smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(N(C)C)cc1	126849588	VUVLENMCBXDJSA-CQSZACIVSA-N	312.417	3.050	10	20	DGCD	
CC(C)[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1	305110920	FYZMSSHPSUMMDN-IBGZPJMESA-N	320.452	3.311	10	20	DGCD	
CN(Cc1noc(C2CCCCC2)n1)Cc1ccccc1O	121145165	IRKXOLCNBZTZFF-UHFFFAOYSA-N	301.390	3.455	10	20	DGCD	
CC(C)OCCN[C@@H](C)c1ccc(Br)cc1O	186642380	FDIHNYPHNXCBSO-JTQLQIEISA-N	302.212	3.230	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(OC)c1O	73748199	CQTMCFSEBVSMJE-TZMCWYRMSA-N	306.406	3.169	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H]2CSC)c1O	184700083	BMNSDGJQFSFNBQ-LBPRGKRZSA-N	301.839	3.382	10	20	DGCD	
Cc1cc(Cl)ccc1C(=O)NCCc1ccc(O)c(O)c1	122794829	BNEMABAKDGILPW-UHFFFAOYSA-N	305.761	3.032	10	20	DGCD	
COc1cc(CN(C)C[C@@H](C)c2nccs2)c(O)cc1C	182836051	QSWLZGCCJDRLOI-GFCCVEGCSA-N	306.431	3.401	10	20	DGCD	
COc1ccc(Cl)cc1NCc1cc2c(cc1O)OCO2	42879197	CZGXERLGPWDKHJ-UHFFFAOYSA-N	307.733	3.395	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccncc1	131492705	NPLQZUUTJBTEID-ZDUSSCGKSA-N	315.392	3.097	10	20	DGCD	
O=C(Nc1cc(C(F)(F)F)ccc1O)c1cccc(O)c1O	192991261	RMQHWJBXIVTYCX-UHFFFAOYSA-N	313.231	3.075	10	20	DGCD	
CCOc1cccc(/C=C2/SC(=S)N(C3CC3)C2=O)c1	48642773	ILSCPHDOFRPRCY-UKTHLTGXSA-N	305.424	3.449	10	20	DGCD	
Cc1cc2c(NCCc3ccc(O)c(O)c3)ncnc2s1	90106284	HKARUYAWNDGMAF-UHFFFAOYSA-N	301.371	3.066	10	20	DGCD	
Cc1ccc2cccc(C(=O)NCCc3ccc(N)cc3)c2n1	237895788	MUGULQOYWQWKFD-UHFFFAOYSA-N	305.381	3.098	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)[C@H](C)COC	97989742	HRWPPNZLFFQABJ-SNVBAGLBSA-N	302.212	3.012	10	20	DGCD	
Cc1ccc(OC(F)F)c(/C=C2\SC(=S)NC2=O)c1	255546888	RRXFEGMOYAYELL-UITAMQMPSA-N	301.339	3.085	10	20	DGCD	
C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccc(F)cc1	269205900	NDJBNQIUZGOSJI-GFCCVEGCSA-N	317.360	3.089	10	20	DGCD	
Cc1cccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1O	271762246	FBGZHDQLBDKXAC-HOTGVXAUSA-N	301.386	3.382	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1	377836166	ZGRTZDRQUNOPCC-LSDHHAIUSA-N	305.418	3.039	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCCSCC	282550222	TWYRLIPIKGDPJR-UHFFFAOYSA-N	310.463	3.457	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCOCC1	283701438	SFHBADLLJNUNOE-INIZCTEOSA-N	320.433	3.273	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CSC[C@H]1C	807477751	XLCVZJNLUPGWBT-OCCSQVGLSA-N	308.447	3.065	10	20	DGCD	
Cc1nnc(CCN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)s1	391840709	MJFFFUAWNGVZLU-PWSUYJOCSA-N	303.431	3.241	10	20	DGCD	
CCC[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccn1	806317580	JVLIAFFBWMEREG-KRWDZBQOSA-N	311.429	3.348	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(F)ccc2Cl)cc1	814254686	CTHFXLPBJPCEAD-UHFFFAOYSA-N	306.768	3.475	10	20	DGCD	
CC(C)[C@@H](N)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	817958111	HPZIUCQUSHYZHD-YOEHRIQHSA-N	307.457	3.450	10	20	DGCD	
COc1ccc(N(C)Cc2cnn(CC(F)F)c2)cc1Cl	816565978	HXYNRAZZFNVLBL-UHFFFAOYSA-N	315.751	3.447	10	20	DGCD	
CO[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	814405514	MRWNQDUVFKMNKD-SJLPKXTDSA-N	316.445	3.108	10	20	DGCD	
COc1ccc(N2CCCN(CC3CC(F)(F)C3)CC2)cc1	827467897	HHVDNBFVCJNLLS-UHFFFAOYSA-N	310.388	3.253	10	20	DGCD	
Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(O)cs2)cc1C	731912640	WDCKXFLHJTXZCH-NSHDSACASA-N	304.367	3.499	10	20	DGCD	
C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cc([N+](=O)[O-])ccc1O	903427742	JKFMKIZQALKWKY-PIGZYNQJSA-N	313.357	3.497	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC(CF)CF)c1C	833434802	VEWUPNOEYJSEJO-UHFFFAOYSA-N	306.356	3.440	10	20	DGCD	
CCCC[C@@H](CC)CNC(=O)NCc1cc(OC)ccc1O	734063528	ICSMQJMUCWKCQA-CYBMUJFWSA-N	308.422	3.416	10	20	DGCD	
COc1ccc(CNC(=O)NCC2CCCCCC2)c(O)c1	836596682	NAQHIDWGTYKQNW-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NOCC2CC2)cc1	838603354	HCNMKPKQYXSNKA-UHFFFAOYSA-N	305.422	3.016	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CCO[C@H](c3ccncc3)C1)CC2	834895081	XDLXYAVFJGGSSX-NUJGCVRESA-N	310.397	3.284	10	20	DGCD	
CCc1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1O	848898612	FLDRIXRGRKSTJO-NXHRZFHOSA-N	301.430	3.392	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cncc(C)c2)cc1F	742654701	YIDFGFVDKCBBLJ-UHFFFAOYSA-N	315.392	3.305	10	20	DGCD	
CC(C)C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	743810290	ROWFDPJIOHQECN-UHFFFAOYSA-N	303.450	3.330	10	20	DGCD	
CCc1cccc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1O	848912081	AHRKNOWBCNLWCZ-HNNXBMFYSA-N	305.809	3.252	10	20	DGCD	
CCN(CC)c1ccc(CN2[C@H]3CCC[C@H]2CC(N)C3)cc1	843054181	QUIJYNHYFGSOQS-OALUTQOASA-N	301.478	3.377	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CN(C2CC2)C[C@H]1C	840893874	NNWVPLKOMUJRQN-GUXCAODWSA-N	315.505	3.064	10	20	DGCD	
CCOc1cccc(CN2C[C@@H](C)NCc3ccccc32)c1O	841090145	WLKVUQQSAYUIQZ-CQSZACIVSA-N	312.413	3.289	10	20	DGCD	
CC[C@H](N[C@@H](CO)CCF)c1ccc(C(F)(F)F)cc1O	846096656	JMIANYDKOJHBAU-PWSUYJOCSA-N	309.303	3.172	10	20	DGCD	
CN(C)c1ccc(CN[C@@](C)(CO)C2CCCCC2)cc1F	740013292	CGMSLRKQBBKJKM-SFHVURJKSA-N	308.441	3.313	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cnccc2C)cc1F	742071889	VAKPZFFEIRPSLR-UHFFFAOYSA-N	315.392	3.305	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@@H](C)c2cccs2)cc1	844353260	JLMCMPFRNJVDCW-LBPRGKRZSA-N	304.415	3.070	10	20	DGCD	
COCCC1(C(=O)NCc2cc(Cl)ccc2O)CCCC1	846475824	KPRYZSVNKWNZMY-UHFFFAOYSA-N	311.809	3.259	10	20	DGCD	
CCC[C@@H](O)CCN[C@H](C)c1cc(Br)ccc1O	927016145	HRZNSJQUULFBKP-ZYHUDNBSSA-N	316.239	3.356	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@]2(O)CCc3ccccc32)cc1	752127013	XJIHNSLDCHUTTQ-NRFANRHFSA-N	324.468	3.456	10	20	DGCD	
CS[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C	752879350	XRJNPDHHMUWICK-OWNNVSBGSA-N	309.431	3.005	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1	852595534	IBLVEPJVBZVXDJ-INIZCTEOSA-N	301.434	3.057	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(C)o1	753971397	SBTYGYIMPRXHIU-UHFFFAOYSA-N	300.402	3.245	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)NCCCSc1nccs1	752352613	UQVVWOPHRGWIBK-ONEGZZNKSA-N	319.455	3.158	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@@H](C)C2)cc1F	752010356	OUDRDUJTKYFCHZ-OKILXGFUSA-N	321.440	3.469	10	20	DGCD	
OC1CCN(c2ccc(CNc3cc4cc[nH]c4cn3)cc2)CC1	853955388	MRXLRKAYQJBQDN-UHFFFAOYSA-N	322.412	3.136	10	20	DGCD	
CC1(CCC(=O)NCc2cccc(Br)c2O)CC1	935662197	AEIBTPPMIGBLCO-UHFFFAOYSA-N	312.207	3.351	10	20	DGCD	
C[C@@H]1CSCCN(Cc2c(O)cccc2Br)C1	862344256	OAXNCOJTTYWBCH-JTQLQIEISA-N	316.264	3.340	10	20	DGCD	
CCOc1ccc(O)c(CN(C)CCOc2ccccc2F)c1	768212570	LQEFOIFRBYVXKV-UHFFFAOYSA-N	319.376	3.441	10	20	DGCD	
Cc1ccc(CNCCCc2nc3ccccc3n2C)c(O)c1	877152404	MUNASMFITOPSQG-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
CC1(C)N[C@H](c2cccc(Cl)c2O)N(CC2CCCC2)C1=O	877857572	VBDKRLQVDVPXSU-HNNXBMFYSA-N	322.836	3.445	10	20	DGCD	
COc1ccc([C@H](OC)[C@H](C)NCc2cc(F)ccc2O)cc1	779106326	NLQTVVRNXMLRAA-KPZWWZAWSA-N	319.376	3.406	10	20	DGCD	
Cc1cccc(OCCOC(=O)/C=C\c2ccc(O)c(O)c2)c1	772775231	NIKIMCGAAKDDLG-VURMDHGXSA-N	314.337	3.042	10	20	DGCD	
CCN(CC)c1ccc(CN(C[C@H](C)C(=O)OC)C2CC2)cc1	780892792	KDVSHGZZYSWKIU-HNNXBMFYSA-N	318.461	3.306	10	20	DGCD	
COC(=O)[C@@H](NCc1cc(C)c(C)cc1O)c1cccs1	789573680	YZPORYIYFDGLEM-HNNXBMFYSA-N	305.399	3.074	10	20	DGCD	
CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1	793241370	NIKSZCCKMRFGAX-MAUKXSAKSA-N	318.461	3.354	10	20	DGCD	
O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(O)c1O	792630966	XQKZLKWZFBGWFL-OCCSQVGLSA-N	315.344	3.303	10	20	DGCD	
C[C@@H]1CCCN([C@H](C)CNCc2c(O)ccc(Cl)c2F)C1	790948019	CXXROVPITFBOCN-VXGBXAGGSA-N	314.832	3.395	10	20	DGCD	
CN(C)c1ccc(CN[C@@](C)(CO)C2CC2)c(C(F)(F)F)c1	793051276	MNOKYQRUKLVEEV-HNNXBMFYSA-N	316.367	3.022	10	20	DGCD	
CN(CC(=O)NCC(C)(C)C)c1ccc(-c2nccs2)cc1	1334998003	YIAIAHVHHXSYNR-UHFFFAOYSA-N	317.458	3.409	10	20	DGCD	
C[C@@H](OC(=O)Cc1ccc(N)cc1)c1ccccc1[N+](=O)[O-]	1579420379	CUMNMIQJFNPGFC-LLVKDONJSA-N	300.314	3.024	10	20	DGCD	
CC[C@H](CCNCc1ccc2c(c1)CCCN2CC)C(=O)O	1776712198	XEPGWARUIIZUPG-OAHLLOKOSA-N	304.434	3.050	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccn2C(C)C)c1	152373165	SFYWHJRUYCLQLX-GFCCVEGCSA-N	302.374	3.274	10	20	DGCD	
CN(Cc1ccccn1)C(=O)NCc1ccc(N2CCCC2)cc1	57485664	YOMZVTMYHPNCPD-UHFFFAOYSA-N	324.428	3.023	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC2(CC(C)C)CC2)c1	121474642	OUMPGLZNWSVKPM-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC1CC(c2ccccc2)C1	77533752	POOXENIPAAKWQM-UHFFFAOYSA-N	310.397	3.480	10	20	DGCD	
CN(C)[C@H](CNCc1ccc2c(c1)CCO2)c1cccs1	37362882	DTKQBYSSKJDKLL-OAHLLOKOSA-N	302.443	3.076	10	20	DGCD	
C[C@H](O)C[C@H](C)CN[C@@H](C)c1cc(Br)ccc1O	185520728	CEUCTEXSVRSCHD-DCAQKATOSA-N	316.239	3.212	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1F	189432787	LWQJSMYHPFILMM-UHFFFAOYSA-N	313.325	3.034	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn(C(C)C)c1	188358566	OKXBVSXSDWOPOY-UHFFFAOYSA-N	301.390	3.222	10	20	DGCD	
COC[C@H](N[C@@H](C)c1ccc(Br)cc1O)C1CC1	186154047	UVYCIOVJXFCQDH-ZANVPECISA-N	314.223	3.230	10	20	DGCD	
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	180020530	MXECQFYRMNKPBQ-ZIAGYGMSSA-N	322.424	3.048	10	20	DGCD	
C[C@H](N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1O	183527616	MDGMQPHCMHGIEY-SWLSCSKDSA-N	320.433	3.346	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1	321292707	KXUFXUKBKDFMNJ-MHVKHXTKSA-N	316.357	3.462	10	20	DGCD	
C[C@@H]1CN(c2ccc(CNCc3cc[nH]c3)cc2F)C[C@@H](C)O1	86251277	XCNGSGVAIVFWEP-ZIAGYGMSSA-N	317.408	3.057	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)C1CCNCC1	236732171	PGCVHIGVSSPKSZ-OAHLLOKOSA-N	318.461	3.157	10	20	DGCD	
COCc1cc([N+](=O)[O-])ccc1NCc1cccc(OC)c1O	91479400	QTQRFSNGJFPRCU-UHFFFAOYSA-N	318.329	3.068	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCCN(C)C)c2C)c1	248054700	XYRHZWHPIGEOSU-UHFFFAOYSA-N	313.445	3.084	10	20	DGCD	
CSc1ccsc1C(=O)NCc1ccc(N(C)C)cc1	264350469	HAWWMVWPMNOMLY-UHFFFAOYSA-N	306.456	3.466	10	20	DGCD	
COc1ccc(N(Cc2nnc3n2CCCC3)C(C)C)cc1F	263651139	BGFBOUVYYABGMZ-UHFFFAOYSA-N	318.396	3.177	10	20	DGCD	
CN(C)c1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1F	275959122	JZXLVGJGOSFQNO-GOSISDBHSA-N	306.425	3.283	10	20	DGCD	
CCOC1CC(O)(CN[C@@H](C)c2ccc3ccccc3c2O)C1	278356518	CPJSTLQUMCNCHV-XIWWETDGSA-N	315.413	3.126	10	20	DGCD	
C[C@H](NC[C@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1O	273533087	WSTCRAXBSGXLMK-AAEUAGOBSA-N	311.809	3.382	10	20	DGCD	
CSCC(C)(C)C(=O)NCc1c(O)ccc2c1CCCC2	282558129	SMNBSHPZEMQJRU-UHFFFAOYSA-N	307.459	3.276	10	20	DGCD	
CN(CCCCCO)Cc1ccc(N(C)C)cc1C(F)(F)F	280614671	PAGITCBPAUFPOI-UHFFFAOYSA-N	318.383	3.366	10	20	DGCD	
CCCCN(CCCO)Cc1cc(Cl)cc(OC)c1O	289403516	GVASOUWKOSTZDO-UHFFFAOYSA-N	301.814	3.039	10	20	DGCD	
CC[C@@H](C)CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	285147508	RLKBWXHQNYPOKJ-CQSZACIVSA-N	322.424	3.105	10	20	DGCD	
CS[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	295036202	MCJJCDWEZIRYBJ-LLVKDONJSA-N	302.237	3.092	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1O	290347219	FWECSNNYSJKZMH-HYVNUMGLSA-N	315.800	3.482	10	20	DGCD	
CN(C)c1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)cc1F	809693386	UZZRTOXBHLHTBT-QGZVFWFLSA-N	302.397	3.342	10	20	DGCD	
COc1ccc(CNC(=O)NC(C2CCC2)C2CCC2)c(O)c1	805854915	BHVWEAGZMHNWCX-UHFFFAOYSA-N	318.417	3.169	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)NCC(C)C	801599220	FZTSOSVEWZWJQV-HNNXBMFYSA-N	306.450	3.155	10	20	DGCD	
C[C@H](N[C@H](C)[C@H]1CCCNC1)c1cc2c(cc1O)CCCC2	817947195	MKBZCNHCTBEGND-KEYYUXOJSA-N	302.462	3.310	10	20	DGCD	
CC(C)(NCc1cc(Cl)c(F)cc1O)C1CCOCC1	816594048	NKGQJOHFKBTVPJ-UHFFFAOYSA-N	301.789	3.480	10	20	DGCD	
Cc1nnsc1CN[C@@H](C)c1cccc(C(F)(F)F)c1O	815629217	XMBHFZBXDOHOIU-ZETCQYMHSA-N	317.336	3.422	10	20	DGCD	
C[C@H](N[C@H]1CC[C@@H](CN)C1)c1cccc(C(F)(F)F)c1O	817981211	HFFVWXZZIIRSRZ-AXFHLTTASA-N	302.340	3.189	10	20	DGCD	
CC[C@H](COCC(F)(F)F)NCc1ccc(N(C)C)c(F)c1	824554185	BZYAWWNCOZEZPP-GFCCVEGCSA-N	322.346	3.339	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cc1F	824838135	MATRMZPVDNCMOI-ILRDRHFLSA-N	316.420	3.057	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c1	724910978	BYQHSALYJMAOPV-KGLIPLIRSA-N	320.433	3.361	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2cnccc2C)cc1	822606730	AAVYOUOVKKFXBH-UHFFFAOYSA-N	311.429	3.095	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)cc1F	824838137	MATRMZPVDNCMOI-OHDICMOHSA-N	316.420	3.057	10	20	DGCD	
Cc1cc(CN2CCc3n[nH]cc3C2)ccc1N1CCCCC1	828516305	XFZHNNDXTIXDQF-UHFFFAOYSA-N	310.445	3.267	10	20	DGCD	
CC[C@@H](Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1ccccc1O	825000052	VLTHWRNTCUNHLO-QAPCUYQASA-N	312.369	3.180	10	20	DGCD	
C[C@@H](NC(=O)C1(C)CCC(=O)CC1)c1ccc(N(C)C)cc1	829818012	TZHMPWHAZAVUKU-CYBMUJFWSA-N	302.418	3.079	10	20	DGCD	
COc1cccc([C@H]2C[C@H](NC(=O)c3cc(O)cs3)C2)c1	839788050	WRYHWAQAUQIHKS-HAQNSBGRSA-N	303.383	3.138	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)co1	839922802	ZEXGONQXNRBYLC-ZDUSSCGKSA-N	300.402	3.323	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1	839192661	OTCKWBWDHRNLCU-GOEBONIOSA-N	309.837	3.419	10	20	DGCD	
CC(C)Cc1ccc(CC(=O)NCc2ccc(O)cc2O)cc1	910957860	OENDJNHBQTZALQ-UHFFFAOYSA-N	313.397	3.155	10	20	DGCD	
C[C@@H](N[C@@H](CCO)c1ccccc1F)c1cc(F)ccc1O	842922351	BNFVLKKGPBWXOO-BZNIZROVSA-N	307.340	3.445	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCOc2cc(O)ccc2C1	840947368	PUQQADOEYOFJDP-UHFFFAOYSA-N	312.413	3.161	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](OC3CCC3)C2)c1O	847038626	USWMAJBTYJKHOP-MRXNPFEDSA-N	321.392	3.267	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)c2nccc(N)n2)cc1	846766624	VCUMLYMRUMKPRP-AWEZNQCLSA-N	313.449	3.098	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2CCN(CC(F)F)C2)c1O	841761734	KLNYNFXAJKXEAT-JQWIXIFHSA-N	318.795	3.344	10	20	DGCD	
Cc1noc([C@H]2CCCN2Cc2ccc(N(C)C)cc2C)n1	840946571	RUTKZXBXYTUELO-MRXNPFEDSA-N	300.406	3.090	10	20	DGCD	
C[C@H](CCNC(=O)NCCc1ccc(N)cc1)c1ccccc1	841773085	VSDWUXQHXDJDSQ-OAHLLOKOSA-N	311.429	3.304	10	20	DGCD	
CC[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O	842885373	ONBGYXGQQOQXRO-KBPBESRZSA-N	324.852	3.486	10	20	DGCD	
Cc1c(F)cccc1C(=O)NCc1ccc2c(c1)CCCN2C	857442800	VAWDRUYEWPQOIB-UHFFFAOYSA-N	312.388	3.447	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c(O)c1O	751534287	UEFCNSIWLCFYRJ-UHFFFAOYSA-N	315.325	3.166	10	20	DGCD	
CC1(C)CCc2cc(/C=C3/SC(=S)NC3=O)ccc2O1	920241230	OQBOSTPHXHJNQS-XYOKQWHBSA-N	305.424	3.279	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC2([C@@H](C)O)CC2)c1C	856130630	GUNYVJAEBJSFEN-OAHLLOKOSA-N	312.413	3.046	10	20	DGCD	
Cc1nccn1CCCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	756434009	SWALXXVXFWHSDJ-BXUZGUMPSA-N	303.381	3.264	10	20	DGCD	
CCOc1cncc(/C=C2/C(=O)N3CCCc4cccc2c43)c1	857202475	OBFHNHUMMCJXAT-LICLKQGHSA-N	306.365	3.314	10	20	DGCD	
C[C@@H](NCC(C)(C)O)c1cc(Br)cc(Cl)c1O	756562077	FQVZVUGCPXIGSD-SSDOTTSWSA-N	322.630	3.230	10	20	DGCD	
Cc1cc(CNCc2cc(C)n(-c3ccccc3)c2C)nn1C	858294396	IGUOOCBCHRKSOF-UHFFFAOYSA-N	308.429	3.426	10	20	DGCD	
CC[C@@H](O)CN[C@H](C)c1cc(Br)cc(Cl)c1O	850527843	CCIPYUOIGDMHHN-VXNVDRBHSA-N	322.630	3.230	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](C)N2CCCC[C@@H]2C)c1	756411365	OSKCXZDGPLDQRL-KKUMJFAQSA-N	306.450	3.314	10	20	DGCD	
Cc1cc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1	867302536	QUNSTOXUSKRFMW-SNVBAGLBSA-N	305.399	3.137	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CCSC1	762331276	OCQKEHOJKAHMMQ-LBPRGKRZSA-N	324.409	3.088	10	20	DGCD	
CN(CC(C)(C)NC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2	761216912	SMDCAXBVYPGXBG-UHFFFAOYSA-N	322.405	3.155	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]2CC(=O)OC)cc1F	769485187	ZGJRCSGHQRRRAY-HNNXBMFYSA-N	322.424	3.199	10	20	DGCD	
Cc1cccc(O)c1CN1CCC([C@](C)(O)C(F)(F)F)CC1	877389357	BSOLFAKLZSQFKO-HNNXBMFYSA-N	317.351	3.226	10	20	DGCD	
CC[C@@H](NC[C@H]1C[C@H](N)C1)c1ccc(Cl)c(Cl)c1O	873258489	RPLDVUONOCIIPX-KBVBSXBZSA-N	303.233	3.477	10	20	DGCD	
COC1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCCCC1	775562369	IACKKZCBBIJJKT-LBPRGKRZSA-N	308.378	3.300	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(C)c(F)c2)c1O	774950024	BSDJUPXUJFADTK-UHFFFAOYSA-N	320.320	3.046	10	20	DGCD	
COc1cc(C)c(NC(=O)NCc2ccccc2O)cc1F	775896746	AVKGESLDDBFJGF-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CCC[C@@]1(C)NC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O	777599128	DURXNXQGTAVZRY-GOSISDBHSA-N	317.433	3.143	10	20	DGCD	
C[C@@H](NCCCCNc1ccccn1)c1c(O)cccc1F	886522817	RDEJFYUYAQJJAR-CYBMUJFWSA-N	303.381	3.469	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(C2CC2)c1	783038161	LBZZYXBYUNYMMO-UHFFFAOYSA-N	321.424	3.489	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)[C@@H](OC)c2ccccc2)c1	786861288	UIMNOVUOKUGHEF-SCLBCKFNSA-N	301.386	3.267	10	20	DGCD	
CC(C)[C@H](CNCc1ccc(N(C)C)c(F)c1)c1ccnn1C	788077564	XOFZCJRRRYWNEX-HNNXBMFYSA-N	318.440	3.155	10	20	DGCD	
CC(C)OCCCNCc1cc(Br)ccc1O	76275398	SPBMESDNLVFEML-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
C[C@@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O	397733864	FETQJMRVDSNFFO-LLVKDONJSA-N	324.396	3.049	10	20	DGCD	
C[C@@H](CNCc1c(O)ccc(Cl)c1F)CN1CCCCC1	790947912	CQIDJRUTHBELAK-LBPRGKRZSA-N	314.832	3.396	10	20	DGCD	
CCOC(=O)C1(CNCc2cccc(Cl)c2O)CCCC1	792195397	MCHWHZJGGAQSRJ-UHFFFAOYSA-N	311.809	3.259	10	20	DGCD	
CC[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O	794817810	RATNKTMYFSUKPP-ZFWWWQNUSA-N	304.434	3.141	10	20	DGCD	
C[C@@H](C[C@H](O)c1ccco1)NCc1cc(F)c(N(C)C)cc1F	1261787872	DMPUJWJGDMFDGD-ZBEGNZNMSA-N	324.371	3.226	10	20	DGCD	
CCn1c(-c2ccc(C)nc2)nnc1N(C)Cc1ccccc1O	1340762936	NFWZQKCTYHXTGR-UHFFFAOYSA-N	323.400	3.010	10	20	DGCD	
C[C@@H]1[C@H](CC(=O)O)CC[C@@H]1NCCCSc1nccs1	1594182712	FYKXJXHNXIJDMD-WOPDTQHZSA-N	314.476	3.104	10	20	DGCD	
Cc1cccc(NNC(=S)Nc2ccc3c(c2)OCCO3)c1	17450490	PEEOXOYIOREMRK-UHFFFAOYSA-N	315.398	3.080	10	20	DGCD	
C[C@H](NC1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1	161742701	OLLUOMAVNIXZJI-AWEZNQCLSA-N	304.434	3.089	10	20	DGCD	
CC(C)[C@H]1CN(Cc2cccc(Br)c2O)CCO1	709029014	JYWJZZCQCBJZOX-CYBMUJFWSA-N	314.223	3.012	10	20	DGCD	
CN(C)CC1(NCc2cc(Cl)cc(Cl)c2O)CCC1	393487836	QVXXCRIOAZRFDY-UHFFFAOYSA-N	303.233	3.273	10	20	DGCD	
Nc1ccc(CCNC(=O)c2cc3c(s2)CCCC3)cc1	40675659	CVFXPJFBPTVNCM-UHFFFAOYSA-N	300.427	3.182	10	20	DGCD	
Cc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)s1	77187936	WIYBRTMWUREECU-UHFFFAOYSA-N	302.447	3.473	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(C)=O)cc2)c1	111608265	BMSLZFQLNSHKGB-LLVKDONJSA-N	313.353	3.094	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C)cc2C)c1	114564467	CSKOKZJGCBAAFM-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
COc1cc(Br)cc(CNc2ncccc2C)c1O	130967495	XHWPOQZFPQIEJM-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCc3ccsc3C2)c1O	132512378	VEPWDGRUCCNTDR-UHFFFAOYSA-N	305.374	3.354	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)c(OC)c2)c1	159723622	DMPYDPPFCBAEOC-JTQLQIEISA-N	319.332	3.040	10	20	DGCD	
COc1ccc(N2CCN(C(=O)CCC3CCC3)CC2)cc1F	177275827	ABJALCFCCWQCNT-UHFFFAOYSA-N	320.408	3.063	10	20	DGCD	
C[C@@H]1CSCCN1Cc1cc(Br)ccc1O	179661020	OIPAQGVVWAGXHY-SECBINFHSA-N	302.237	3.092	10	20	DGCD	
Oc1ccccc1N1CCN(Cc2cccc(Cl)c2O)CC1	183467559	MPDSUBXQOMMJQV-UHFFFAOYSA-N	318.804	3.073	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)N[C@@H](C)CCCO)c1O	187294774	YGYWWXQXXZPBTI-WDEREUQCSA-N	316.239	3.275	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(CC)CCOCC2)cc1	272157894	FJBGSMZWNKUZTM-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@](C)(CC)C(=O)O)cc1F	277991044	NFIRERBPEBHIMZ-QGZVFWFLSA-N	310.413	3.262	10	20	DGCD	
COCCOCCCN[C@@H](C)c1cc(Cl)c(Cl)cc1O	278163516	BWPYPBBZZXJLQA-JTQLQIEISA-N	322.232	3.403	10	20	DGCD	
C[C@@H](NC[C@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1	279687315	ANTJLRKOXZHSIT-ZIAGYGMSSA-N	324.465	3.066	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)c2cccc(Cl)c2)c1	305755128	AJHDLRMSHYTKFB-APPDUMDISA-N	321.804	3.438	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H]2CCc3nc(C)ncc3C2)cc1	370671054	LQROBLJEFYMQQX-KDOFPFPSSA-N	324.472	3.449	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]2c2ncon2)cc1F	371385289	WVTBZNBTNHFLHH-INIZCTEOSA-N	318.396	3.392	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H]1CCN(Cc3ccccc3)C1)CC2	383936772	CYFVMAOFPWUYRU-MJGOQNOKSA-N	322.452	3.491	10	20	DGCD	
Oc1cc(Br)ccc1CN1CCCC(F)(F)C1	691680106	SQYFVGJHKCZZQG-UHFFFAOYSA-N	306.150	3.386	10	20	DGCD	
Oc1ccc(Cl)cc1CNC1CCN(CC(F)(F)F)CC1	725850789	FQZQENCBLTXHSQ-UHFFFAOYSA-N	322.758	3.162	10	20	DGCD	
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(O)cs2)C1	732275824	CJCQNSZZZFFSDW-JSGCOSHPSA-N	316.426	3.019	10	20	DGCD	
COCCN(C(=O)c1cc(O)cs1)[C@@H](C)c1ccccc1	732278403	LMQLTQQGMGSNRQ-LBPRGKRZSA-N	305.399	3.304	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1Cc2ccccc21	740741801	SUZWIPVVIIWGAJ-IBGZPJMESA-N	306.409	3.243	10	20	DGCD	
Cc1ccccc1CC(=O)NCc1c(O)ccc2c1CCCC2	743717827	RWSPJWMKXBGELG-UHFFFAOYSA-N	309.409	3.438	10	20	DGCD	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc(O)cs1	746893565	CMEHRMHHLJHYCC-CHNSCGDPSA-N	323.439	3.024	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(OC)CCCC1	754649503	MMHKFVKCAITSFC-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CCO[C@@H](C)c1noc(CN(C)Cc2cc(C)cc(C)c2O)n1	754742167	RBQGHLIKPJMBOW-ZDUSSCGKSA-N	319.405	3.122	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CNC(C)(C)c2cnn(C)c2)c1O	754869577	BMOGGVBJYJFTQF-UHFFFAOYSA-N	321.808	3.007	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)CN1CCCCC1	756434035	HTJUVRBXVIIDHA-ZIAGYGMSSA-N	321.421	3.073	10	20	DGCD	
C[C@H]1C[C@@H](NCc2csc(N(C)C)n2)c2c(O)ccc(F)c21	756635791	HMQDFHHSVZEJJO-JOYOIKCWSA-N	321.421	3.392	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(NC(C)=O)cc2)cc1OC	761222795	WDIHSFYXEFIHQE-UHFFFAOYSA-N	314.385	3.299	10	20	DGCD	
Oc1cc2c(cc1CN1CCCC3(CCCCC3)C1)[C@@H](O)CO2	768447960	SBORZIPCLNJOFO-KRWDZBQOSA-N	317.429	3.364	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H](C3CCOCC3)C2)cc1	773805318	SQSPCDAVOJCPNG-SFHVURJKSA-N	302.462	3.391	10	20	DGCD	
CC[C@H](N[C@@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1O	775522395	OIQKZZAUSSJHST-OCCSQVGLSA-N	305.809	3.367	10	20	DGCD	
C[C@@H](C[C@H](O)c1ccco1)NCc1cc(Cl)cc(F)c1O	776253330	MFVUBJUKLSMPKG-ZANVPECISA-N	313.756	3.380	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C(C)C)C2)c1O	778242051	QTGQPXXEOGHXOB-OAHLLOKOSA-N	311.809	3.105	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1c(F)cccc1F	779501067	UCHQJCZTYVBKPD-PCGIRMHASA-N	319.307	3.267	10	20	DGCD	
CCOc1ccccc1[C@H](CC)NC(=O)c1cccc(O)c1O	790621367	ODELKQSHWSJGNC-AWEZNQCLSA-N	315.369	3.378	10	20	DGCD	
COC(=O)C(C)(C)CCN(Cc1ccc(N(C)C)cc1)C1CC1	792780398	OQXSKOPLPWHDOZ-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
CCOc1ccc(CNC[C@@H](O)c2ccc(CC)cc2)c(O)c1	796452473	VEAHGMKZSMRQKB-LJQANCHMSA-N	315.413	3.177	10	20	DGCD	
CCCN(Cc1cc(C(F)(F)F)n[nH]1)c1ccc(CN)cc1	799735575	ZJHZEYNMYJNZII-UHFFFAOYSA-N	312.339	3.304	10	20	DGCD	
CS[C@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O	805226264	WILPERKNAOPCHY-SSDOTTSWSA-N	323.245	3.250	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O	808706217	FFOKXCRKBLQJTC-DGCLKSJQSA-N	324.852	3.404	10	20	DGCD	
CCCN(CCN1CCCC1)Cc1ccc(OCC)cc1O	809701201	VNXVJWGNIHVSSY-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
COc1cccc(CNCc2cnc(C3CCC3)s2)c1O	809740224	QHCQDLFAEOKZAS-UHFFFAOYSA-N	304.415	3.415	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)c2noc(C)n2)cc1	809933013	NIDKDRJORICEFW-ZDUSSCGKSA-N	302.422	3.417	10	20	DGCD	
Cn1cc(CNCCCSc2nccs2)c(C(F)F)n1	812755621	CRTISALJCHNTIM-UHFFFAOYSA-N	318.418	3.086	10	20	DGCD	
Cc1nccnc1CCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	815651064	JCAPRSXHFWRGGE-QMTHXVAHSA-N	301.365	3.010	10	20	DGCD	
C[C@@H](NC1CCC(N)CC1)c1cc(Br)ccc1O	817947149	LJEKGONJSRFTDL-OIKLOGQESA-N	313.239	3.075	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC3CC4(CCC4)C3)C2)cc1	822494051	FHEYFXIDDMOJGK-HNNXBMFYSA-N	300.446	3.444	10	20	DGCD	
COc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1C	824669040	CITJYTGHXMVRKC-UHFFFAOYSA-N	316.376	3.139	10	20	DGCD	
COc1ccccc1OCCC(=O)N[C@H](C)c1ccccc1O	827915629	BUBNYCRIGHFJGV-CYBMUJFWSA-N	315.369	3.047	10	20	DGCD	
C[C@@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccccc1O	827915927	DZKWFKDVGSLQLO-CYBMUJFWSA-N	311.381	3.137	10	20	DGCD	
C[C@H](Sc1ccccn1)C(=O)N[C@H](C)c1ccccc1O	827936899	FZCLPWMQTBNXDI-NEPJUHHUSA-N	302.399	3.145	10	20	DGCD	
COc1cc(C)ccc1/C=C1\SC(N2CCCCC2)=NC1=O	834408986	PIBSTADXZLWHNA-PTNGSMBKSA-N	316.426	3.460	10	20	DGCD	
CCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)cc1	840885773	ZYXYMKIDOMPHGV-UHFFFAOYSA-N	311.429	3.423	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](CCC(C)(C)C)C(=O)O)c1	840998529	IGQLVUKNXMZIPO-CQSZACIVSA-N	309.406	3.160	10	20	DGCD	
C[C@@H](N)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1	841027989	ISABAZAEKOTAHX-MRXNPFEDSA-N	324.472	3.070	10	20	DGCD	
COc1ccc(CNC[C@]2(CC(=O)O)CC[C@@H](C)C2)cc1C	841793932	RRGSVDIHKNUPQC-FZKQIMNGSA-N	305.418	3.374	10	20	DGCD	
COC1(C(F)(F)F)CCN(Cc2cc(F)ccc2O)CC1	841888366	IALDUNYRUWIJBY-UHFFFAOYSA-N	307.287	3.075	10	20	DGCD	
CCN(CCc1ccccc1)C(=O)NCCc1ccc(N)cc1	841961199	BJRPJLNRQSKBRN-UHFFFAOYSA-N	311.429	3.086	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN(C1CCNCC1)C1CC1	843044189	XNQYTRLLFJCOBI-UHFFFAOYSA-N	315.244	3.415	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1O	843415909	FAHHJNPLMLMLKX-HZPDHXFCSA-N	305.418	3.182	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1	849349743	HVFJHLWZASUYGV-QZTJIDSGSA-N	314.404	3.075	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cncc(OC)c2)cc1F	850130089	ZIOSBNGOASIILQ-UHFFFAOYSA-N	317.408	3.365	10	20	DGCD	
COc1cc(CN[C@@H](C)CCCCO)c(O)c(C(C)(C)C)c1	850314466	USDNFSDMRGAJCY-ZDUSSCGKSA-N	309.450	3.339	10	20	DGCD	
CCOc1ccc(CNC[C@H](O)[C@H](C)c2ccccc2)c(O)c1	850411588	GCBXEDXFDFINGF-KUHUBIRLSA-N	315.413	3.045	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@@H](O)[C@H](C)c2ccccc2)c1	850412121	SYQLCDPZQYNMCJ-AUUYWEPGSA-N	315.413	3.045	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@@H]1C	850568007	NVVPRTXWSIWHSA-JVPBZIDWSA-N	302.462	3.172	10	20	DGCD	
CCOc1cncc(CNCCCSc2nccs2)c1	856770657	YRGKCAAIJKJLNU-UHFFFAOYSA-N	309.460	3.209	10	20	DGCD	
COC(=O)CCCCN(Cc1ccc(N(C)C)cc1)C1CC1	859081788	KAQPJTVYEHZQMO-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1	862760339	QMGXCSJJXDJZBM-DZGCQCFKSA-N	317.335	3.399	10	20	DGCD	
CC(=O)C1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1	863164126	BIOBHPVIVUSCTE-UHFFFAOYSA-N	310.397	3.080	10	20	DGCD	
CCOc1cccc(CN[C@@H](CC)[C@@H](O)c2ccccc2)c1O	873193817	ONIRJUYPATVGIR-WMZOPIPTSA-N	315.413	3.393	10	20	DGCD	
Cc1ccc(CNC(=O)[C@@H](C)N[C@H](C)c2ccccc2O)cc1	879649224	OHZWCBWDCADBMU-HUUCEWRRSA-N	312.413	3.056	10	20	DGCD	
COCc1cccc(-c2cn(Cc3ccc(N(C)C)cc3)nn2)c1	881270878	DACFZRXPPFOYHJ-UHFFFAOYSA-N	322.412	3.206	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CC[C@H]2SCCS[C@H]12	883078601	WVCPLSHBJCPJEI-YRGRVCCFSA-N	317.426	3.140	10	20	DGCD	
CCOC(=O)c1ccc(CNCc2ccc3c(c2)CCCO3)o1	894465845	RJUXOZIJTAQUOR-UHFFFAOYSA-N	315.369	3.071	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCc1cnn(CC2CCC2)c1	897431854	IKFUXSGNTRAYFK-UHFFFAOYSA-N	323.799	3.471	10	20	DGCD	
COc1cc(O)c(CN[C@H](c2ccncc2)C2CC2)cc1OC	898322822	RYKNFGQELRGUCP-SFHVURJKSA-N	314.385	3.045	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H](c2nncn2C)C(C)C)cc1	903063058	YKYWJMPGAZYUNA-PBHICJAKSA-N	315.465	3.319	10	20	DGCD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(O)cc2O)o1	910952243	UHLVCKFLFUGNMT-ABAIWWIYSA-N	315.369	3.063	10	20	DGCD	
Cc1cc(O)c(CNC[C@@](C)(O)c2cccc(F)c2)cc1C	922565237	ZZOSLAKPHOZSOP-GOSISDBHSA-N	303.377	3.145	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CN[C@@H](C)c3cnnn3C)c2C)c1	926764312	JDPSIWLVFJNXSS-HNNXBMFYSA-N	323.444	3.382	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)OCc3nccn3C)c2C)c1	1122859970	UMWHRQLXOJJFCR-UHFFFAOYSA-N	323.396	3.493	10	20	DGCD	
CC[C@H]1CCC[C@@H]1C(=O)NCCNCc1ccc(OC)c(C)c1	1133442819	JXUPCFYMPIYVKA-IRXDYDNUSA-N	318.461	3.036	10	20	DGCD	
OC[C@@]1(NCc2ccc(N3CCCC3)cc2)CCc2ccccc21	1253279408	FFVJAWHJFJCNQM-NRFANRHFSA-N	322.452	3.210	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1cc(OCC(F)F)ccn1)CC2	1326623728	TYHOTPRIYVKXCY-CQSZACIVSA-N	320.339	3.208	10	20	DGCD	
CN(C(=O)c1cc(C(F)(F)F)ccc1N)c1ccc(N)cc1	1578389498	OVUFPSXWCAKYGQ-UHFFFAOYSA-N	309.291	3.146	10	20	DGCD	
Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)ccc1C(=O)O	1600272052	YYQOJTZYSCQLIJ-NSHDSACASA-N	314.341	3.282	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)c1ccccc1	1606679244	AYPMPCKJOVEYLU-PXAZEXFGSA-N	315.369	3.129	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](C(=O)O)c3ccccc3)ccc21	1776875188	OBVJOLNSNHEWRY-IBGZPJMESA-N	324.424	3.375	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](c3ccccc3C(=O)O)C2)cc1	1777039437	MYIKITVOKVOUPO-INIZCTEOSA-N	324.424	3.440	10	20	DGCD	
O=C(CSc1nccs1)Nc1ccc(OC(F)F)cc1	47241880	KYZULUXBBDTYPT-UHFFFAOYSA-N	316.354	3.475	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccnn3C)c2C)cc1	102347079	BWIBJQRGVSVGST-UHFFFAOYSA-N	324.384	3.089	10	20	DGCD	
Cn1c(=O)oc2cc(NCc3cc(Cl)ccc3O)ccc21	127916078	LUMCOOHVXIOZAT-UHFFFAOYSA-N	304.733	3.103	10	20	DGCD	
COc1ccccc1[C@@H](C)CC(=O)NCCc1ccc(N)cc1	152500322	TUWCCRUOSSLQLA-AWEZNQCLSA-N	312.413	3.130	10	20	DGCD	
COc1cc(CN2CCO[C@@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1	164515477	GJXFCEFTUKWARW-OLZOCXBDSA-N	307.434	3.308	10	20	DGCD	
CC(=O)Nc1cccc2c1CCN(Cc1cc(F)ccc1O)C2	179967565	QMLBWBJOHAMDLF-UHFFFAOYSA-N	314.360	3.048	10	20	DGCD	
C[C@H](NCCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O	185206541	JIRXXPYDRIDXPU-KFWWJZLASA-N	324.440	3.071	10	20	DGCD	
CCOC(=O)N1CCC([C@H](C)NCc2cc(C)ccc2O)CC1	189365359	KNJOJDDXUCVOOU-AWEZNQCLSA-N	320.433	3.047	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3c(O)ccc4ccccc34)CC[C@H]21	247111389	QQFCNDVOSPAYRZ-VQIMIIECSA-N	310.441	3.462	10	20	DGCD	
C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1O	273424976	TVDWYWMRXKNXBM-GFCCVEGCSA-N	316.376	3.084	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc(F)cc2O)cc1[N+](=O)[O-]	273621335	ZBZZFGVZSKJVCA-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CC1CCOCC1	282381186	CTJUGQRIWAHDAV-UHFFFAOYSA-N	305.418	3.338	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCOC	283542399	DDCHDYICMJJDBP-AWEZNQCLSA-N	308.422	3.129	10	20	DGCD	
OC[C@@H](Cc1c[nH]c2ccccc12)N[C@H]1CCc2cccc(O)c21	297671383	LAFNGMONCPICRZ-QAPCUYQASA-N	322.408	3.054	10	20	DGCD	
COCc1nc(C)cc(N[C@@H](C)c2ccc(N(C)C)cc2)n1	302477948	XOOFWRDBJPOFSZ-ZDUSSCGKSA-N	300.406	3.171	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCOC[C@H]1CCCO1	319812238	KTSCSRVAAOAEKE-OAGGEKHMSA-N	319.445	3.424	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1	378213515	VTMOWGWDKJNFPZ-KRWDZBQOSA-N	316.351	3.453	10	20	DGCD	
CSC[C@H]1CCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	400067866	FGSZVSXSBRHCJJ-HOSRBBHYSA-N	322.386	3.024	10	20	DGCD	
Cc1c(CNC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)n(C)c2ccccc12	471219255	PKEQDCIHNMSLLV-WIOUJZMWSA-N	308.425	3.395	10	20	DGCD	
Cc1c(CNC(=O)NCCOC(C)(C)C)n(C)c2ccccc12	527157301	LRJURMKPDAUEOD-UHFFFAOYSA-N	317.433	3.101	10	20	DGCD	
Cc1c(CNc2ccc(-n3cncn3)cn2)n(C)c2ccccc12	672812024	RAXQNHLEXSMMHS-UHFFFAOYSA-N	318.384	3.075	10	20	DGCD	
CC(C)O[C@@H]1CCN(Cc2ccc(Br)cc2O)C1	701734560	HGMNDUYZCOYLBF-CYBMUJFWSA-N	314.223	3.154	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(C(F)F)cc2)c1O	729858940	HFVUREJYXBPTGC-UHFFFAOYSA-N	307.296	3.268	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](C)Cn2cccn2)cc1F	740003884	AHPVQWBGECZDDN-OAHLLOKOSA-N	318.440	3.294	10	20	DGCD	
COc1cc(C)cc(CN2CCc3c2cccc3[N+](=O)[O-])c1O	754776937	TZTRSQOAUDMPPY-UHFFFAOYSA-N	314.341	3.180	10	20	DGCD	
COC1CCN(C(C)(C)CN[C@H](C)c2ccc(F)cc2O)CC1	756549311	DVTWMWKJJKOAAT-CYBMUJFWSA-N	324.440	3.071	10	20	DGCD	
Cc1c(CN(C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-]	756653190	CZXJQGADRNWEQS-UHFFFAOYSA-N	300.314	3.268	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc(OC)ccc2O)c(F)c1	756757528	OMACARDKHXFAIS-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cc(Br)ccc2O)ncn1	756775922	NDFBIKRSGOSDFA-JTQLQIEISA-N	322.206	3.104	10	20	DGCD	
COCC1(N[C@H](C)c2cc(Br)c(F)cc2O)CC1	756851781	VEOYNWPPYIVIPE-MRVPVSSYSA-N	318.186	3.123	10	20	DGCD	
COc1ccc(N(C)Cc2cccc3c2OCCO3)cc1F	757857868	RCZANFLRHGXEAK-UHFFFAOYSA-N	303.333	3.242	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ncc(C)[nH]3)c2C)cc1	761751376	GPWGHFOJVKOKMC-UHFFFAOYSA-N	324.384	3.387	10	20	DGCD	
Cc1ccc(O)c(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1	768531305	AFWUMBYBRFJZJV-HNNXBMFYSA-N	317.351	3.226	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cccc3nsnc23)c1	775370412	VCXUJNFBLBTRCC-JTQLQIEISA-N	315.398	3.256	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@@](O)(c2ccc(F)cc2)C1	777438414	MLYIGQDIPGWXOG-KRWDZBQOSA-N	321.779	3.278	10	20	DGCD	
CCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccn1	779513961	ZFZIZDRYJLEEFK-WWRUEGTHSA-N	312.369	3.164	10	20	DGCD	
Cc1cnc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1	779877227	HAJHPNHQPQRHHZ-UHFFFAOYSA-N	309.413	3.229	10	20	DGCD	
Cc1ccccc1-c1cc(NC(=O)c2ccc(C)c(O)c2O)n[nH]1	781012877	IPHNBTYVXOGBTF-UHFFFAOYSA-N	323.352	3.357	10	20	DGCD	
C[C@@H](NCCCN(C(=O)C1CCC1)C1CC1)c1ccccc1O	783519093	SYDDUEMEQLPOGA-CQSZACIVSA-N	316.445	3.224	10	20	DGCD	
COc1ccc(NCc2c(O)ccc(Cl)c2F)c(OC)n1	790245198	HRVGLYLDJRWBDJ-UHFFFAOYSA-N	312.728	3.209	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)C2CCCCC2)c(O)c1	792954846	CGAQLNTYRRRZDG-GFCCVEGCSA-N	306.406	3.169	10	20	DGCD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N(C)C)c(F)c1	793281430	QMDXOEFENXRIKA-UKRRQHHQSA-N	324.440	3.085	10	20	DGCD	
CN(Cc1ccc2ccccc2c1O)Cc1nnc2ccccn12	816499132	GODFLLJGSXTPSA-UHFFFAOYSA-N	318.380	3.220	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2CCC1OCCCO1	817298863	QOXKXTOZFAZEAK-INIZCTEOSA-N	319.445	3.483	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CCC[C@H]3CN)cc2)CC1	817901242	AFBFSGZNKUJMTB-PKOBYXMFSA-N	301.478	3.140	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3C[C@H]4CC[C@H]3C4)C2)cc1	818220971	JWNIXIAWMIULCH-CYJAXWMASA-N	300.446	3.300	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)CNC3)cc1	827340546	GGRZLDBBLRWLQG-UHFFFAOYSA-N	323.440	3.066	10	20	DGCD	
COc1ccc2ccc(O)c(CN3C[C@H](C)N(C)[C@H](C)C3)c2c1	840090634	REZFFUAWSVORGB-OKILXGFUSA-N	314.429	3.078	10	20	DGCD	
Cc1cc([C@@H](C)N[C@H](C)Cc2ccc(N(C)C)cc2C)n(C)n1	840895541	ZSPMJUNRYZYCSF-GDBMZVCRSA-N	314.477	3.385	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCc1ccc2c[nH]nc2c1	840943294	IXMIDOOEEAJOKB-UHFFFAOYSA-N	308.429	3.270	10	20	DGCD	
CCn1ccc(CNCc2cc(Cl)cc(Cl)c2O)n1	840955970	DSTGEZGBRFHAOC-UHFFFAOYSA-N	300.189	3.205	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cscc2Cl)cc1	841045191	JEUPGDZZGAFDQX-OAHLLOKOSA-N	309.866	3.257	10	20	DGCD	
CCc1nc(C)c(-c2nc(Cc3ccc(N)cc3)no2)s1	843160252	WYLCTRIABJIWPM-UHFFFAOYSA-N	300.387	3.237	10	20	DGCD	
C[C@H](N)CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1	843484231	ITCGKVIVVLGYLR-GJZGRUSLSA-N	312.413	3.219	10	20	DGCD	
CCC(CC)[C@@H](CN[C@H](C)c1cccc(OC)c1O)N(C)C	846139078	POMRTQWLKCAROH-CZUORRHYSA-N	308.466	3.418	10	20	DGCD	
CCC(CC)[C@@H](CN[C@@H](C)c1cccc(OC)c1O)N(C)C	846139079	POMRTQWLKCAROH-XJKSGUPXSA-N	308.466	3.418	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](C)N2CCC[C@H](C)C2)c1O	846140510	VPNVWKGMWRVJFT-ZNMIVQPWSA-N	306.450	3.172	10	20	DGCD	
COc1cccc([C@H](C)NC[C@](C)(O)c2ccsc2)c1O	846142609	BAHWJDHAXNBAMR-ZBEGNZNMSA-N	307.415	3.021	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](C)C(=O)OC(C)(C)C)c1	848563862	XZNACCVYHBULSJ-VXGBXAGGSA-N	309.406	3.029	10	20	DGCD	
COc1cc(CN[C@@H](C)c2cnn(C)c2)c(O)c(C(C)(C)C)c1	850155821	AMAWJKYOIQOQMC-LBPRGKRZSA-N	317.433	3.283	10	20	DGCD	
CCC(O)(CC)CN(C)Cc1ccc(Br)cc1O	862538962	GXPQMIZZLHVDKO-UHFFFAOYSA-N	316.239	3.138	10	20	DGCD	
COc1cccc(O)c1CNCCC1CCN(C(C)C)CC1	865716614	BGJZZLGUHRCZFY-UHFFFAOYSA-N	306.450	3.001	10	20	DGCD	
COc1ccc(CNCC(C)(C)c2ccccc2)c(O)c1OC	892560778	JAAZWNFRGGQXSF-UHFFFAOYSA-N	315.413	3.477	10	20	DGCD	
COCC[C@H](NCc1cc(C)cc(OC)c1O)c1ccc(C)o1	894420694	QJRGZNDIMOIFGO-HNNXBMFYSA-N	319.401	3.478	10	20	DGCD	
CC[C@@H](NCc1cc(N(C)C)ccn1)c1ccc(F)cc1O	903198582	MOBFWRVLOKOVPW-MRXNPFEDSA-N	303.381	3.233	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@](C)(O)c2cccc(F)c2)c1	903308034	GITNIGJPWXEZJR-UGSOOPFHSA-N	303.377	3.398	10	20	DGCD	
C[C@@H]1CC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	1119326440	NTZAWWRLXUAAMT-BXUZGUMPSA-N	315.442	3.235	10	20	DGCD	
CC[C@H](C)N(CC)C(=O)NCc1ccc2c(c1)CCCN2C	1261655503	YHDWAHJXMUQEBS-AWEZNQCLSA-N	303.450	3.399	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@]1(N(C)C)CCSC1	1320118880	SXJRVIJUUBIIFR-HBUWYVDXSA-N	320.502	3.276	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C	1320509418	PYQQJFKMXYRFOY-HOTGVXAUSA-N	319.468	3.055	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc2c(c1)OC(=O)C[C@@H]2C	1608039237	PQBVCBDCDXXUCD-VIFPVBQESA-N	316.309	3.278	10	20	DGCD	
CCc1ccc(NC(=S)NNc2ccc(C(=O)O)cc2)cc1	7521982	WYAPRLYVKXLVQC-UHFFFAOYSA-N	315.398	3.261	10	20	DGCD	
C/C(=C\C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	58455812	XBMYPPFAYZWJBW-WYMLVPIESA-N	316.470	3.212	10	20	DGCD	
Cc1cc(CN(C)CCn2cccn2)c(O)c(C(C)(C)C)c1	111169444	WXRNYENTRUVINH-UHFFFAOYSA-N	301.434	3.327	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccn1	125150633	YXTDXJPUEQSBSP-HNNXBMFYSA-N	322.412	3.018	10	20	DGCD	
CC[C@H](C(=O)NCc1cccc(OC)c1O)c1ccc(F)cc1	127506424	SMXFWSXPZGGGCF-HNNXBMFYSA-N	317.360	3.350	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(F)c1F	87024006	FRXHJVVLIMALEV-UHFFFAOYSA-N	318.367	3.232	10	20	DGCD	
Cc1c(CNC(=O)COC2CCCC2)n(C)c2ccccc12	348633660	FLOAKHZRLRQSRS-UHFFFAOYSA-N	300.402	3.062	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCc3ccccc32)cc1	248074418	BPVQTQNHQHJLEG-IBGZPJMESA-N	308.425	3.489	10	20	DGCD	
Cc1c(CNC(=O)c2cccc3c[nH]nc23)n(C)c2ccccc12	352126372	SETUVSBWBFAZHN-UHFFFAOYSA-N	318.380	3.293	10	20	DGCD	
Cc1c(CNc2cc(=O)n3ccccc3n2)n(C)c2ccccc12	359841559	VEZWMVQEGMYVFM-UHFFFAOYSA-N	318.380	3.107	10	20	DGCD	
COc1cccc(CN2CC[C@@]3(C)[C@H](C2)C3(Cl)Cl)c1O	284430443	RWYCBWDTIJBEHR-JSGCOSHPSA-N	316.228	3.417	10	20	DGCD	
CN(C)CCN(Cc1ccccn1)Cc1cccc(Cl)c1O	809742413	XBHLKFIPJXYGGU-UHFFFAOYSA-N	319.836	3.004	10	20	DGCD	
CC[C@@H]1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O1	807835309	FJBNYQVQEKAOOS-PWSUYJOCSA-N	318.200	3.273	10	20	DGCD	
Cc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(F)cc1O)C2	810259512	KLSOKKBRPXQNFJ-DOMZBBRYSA-N	301.361	3.494	10	20	DGCD	
CC[C@H](O)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	817012337	LGXYPIZFTYJLMV-KRWDZBQOSA-N	314.429	3.212	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H](N)C1)c1cc(Br)ccc1O	817969933	IIRDXIYOESZZKS-MVWJERBFSA-N	313.239	3.075	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1O	724927928	YHOJPXKCGLTMBD-YPMHNXCESA-N	324.396	3.191	10	20	DGCD	
N[C@H](CC(F)F)CN1CCCc2cc(OC(F)F)ccc21	903906338	VPBYCCVWXZMONA-SNVBAGLBSA-N	306.303	3.023	10	20	DGCD	
COC[C@H]1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1	739867355	BAASFIHCKQEALJ-ZDUSSCGKSA-N	315.413	3.486	10	20	DGCD	
CN1CCC[C@@H](CCNCc2cc(Cl)c(F)cc2O)C1	839183276	VSHJUWCNJOMSPY-NSHDSACASA-N	300.805	3.006	10	20	DGCD	
CCN(CC)c1ccc(CNc2nc(C)cc(OC)n2)cc1F	735487090	CGXYBSMIHMVPDP-UHFFFAOYSA-N	318.396	3.391	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)c2ccc(C(=O)O)o2)c1	833733813	RIDQRZUBHPJOPE-VHSXEESVSA-N	305.330	3.104	10	20	DGCD	
CCc1cccc2c1OCC[C@H]2NC(=O)c1cc(O)cs1	732282832	VQIMKZCRAJZDNG-CYBMUJFWSA-N	303.383	3.270	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@H](c2ccncc2)C1)c1ccc(F)cc1O	834894729	UHPSUMMCWPZGME-QITLCBANSA-N	316.376	3.497	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H](c3ccccc3F)C1)OCO2	730454897	PNUWEAPSODSWFJ-LBPRGKRZSA-N	315.344	3.250	10	20	DGCD	
CC1CCC(=CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC1	843297688	JQWRZFRZASMXBN-XPKAQORNSA-N	315.461	3.005	10	20	DGCD	
NC[C@@H]1CCCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	841029997	IVPQEKSIJPAWAN-ZANVPECISA-N	303.233	3.306	10	20	DGCD	
CCc1cccc(CNC2CCN(c3nccs3)CC2)c1O	848908908	FTSAOJDLTGHTTK-UHFFFAOYSA-N	317.458	3.170	10	20	DGCD	
CCc1nn(C)cc1CN[C@H](C)Cc1ccc(N(C)C)cc1C	840975060	CDFNBBIOYUXBPA-OAHLLOKOSA-N	314.477	3.078	10	20	DGCD	
NC1(CNCc2cc(Cl)cc(Cl)c2O)CCCCC1	841039145	CFJJRAKDAQFYNX-UHFFFAOYSA-N	303.233	3.450	10	20	DGCD	
CC(C)OC[C@H](O)CN(C)c1ccc(-c2nccs2)cc1	846990880	GDNRVTOFBIIDKJ-OAHLLOKOSA-N	306.431	3.032	10	20	DGCD	
C[C@@H](NCCCOC[C@@H]1CCCO1)c1ccc(Cl)cc1O	841745351	YFOBSPMWRZPJGV-OCCSQVGLSA-N	313.825	3.282	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1ccc(N)cc1)[C@@H]2C	843496128	ZVQGQBIRZJORLN-ZIAGYGMSSA-N	324.424	3.354	10	20	DGCD	
Cc1ncsc1CCC(=O)NCc1cc(Cl)ccc1O	846477610	UCYRMCGVQWAGEL-UHFFFAOYSA-N	310.806	3.060	10	20	DGCD	
CCN(C[C@@H](O)Cc1ccccc1)c1ccc(OC)c(OC)c1	921061788	LVLOXLOMQZQQRQ-KRWDZBQOSA-N	315.413	3.134	10	20	DGCD	
CNC(=O)c1cnc(/C=C\c2ccc(N(C)C)cc2C)s1	840718483	YUGKRAWBCZEEOI-VURMDHGXSA-N	301.415	3.048	10	20	DGCD	
COC(=O)CCCCN(Cc1ccc(N(C)C)cc1)C(C)C	859081124	AQFRSOCYXYSEBI-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
C[C@@H](NC(=O)NC[C@]1(C)CC1(Cl)Cl)c1ccccc1O	868669533	YYRBSDZKAIHXLO-RNCFNFMXSA-N	317.216	3.336	10	20	DGCD	
O=C1CCCCN1[C@H]1CCCN(Cc2c(O)cccc2Cl)C1	769341629	FMICNKRXYGVTRU-ZDUSSCGKSA-N	322.836	3.023	10	20	DGCD	
CCOc1cccc(CN(C)CCN(C)c2ccccc2)c1O	769379651	DCLFMGBGGUGKFF-UHFFFAOYSA-N	314.429	3.359	10	20	DGCD	
COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)NC1=O	874929005	ZLEWUGHWDMPQLC-BAQGIRSFSA-N	304.154	3.326	10	20	DGCD	
C[C@@H](NC(=O)/C=C/c1cncc(F)c1)c1ccc(N(C)C)cc1	775402765	CJCJEEPRZJMHRF-QGQQYVBWSA-N	313.376	3.177	10	20	DGCD	
CCOc1ccc(CNc2ccc(N3CCCC3)cn2)c(O)c1	776036246	IDWVVMPSIBWHEY-UHFFFAOYSA-N	313.401	3.398	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)c3ccccc32)c1O	775054983	DOTFNSLTOMMRRW-NSHDSACASA-N	314.341	3.433	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3C[C@H](C)O[C@H](C)C3)CC2)cc1	776154507	UCIAODUGTNJMJZ-SCAQPMJSSA-N	318.461	3.210	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC(F)CC1	883694926	QJAXJONVZIWJKS-CQSZACIVSA-N	321.440	3.136	10	20	DGCD	
COCCOc1ccccc1CN[C@H](C)c1ccccc1O	783503460	DRTFGQIOHUSEOP-CQSZACIVSA-N	301.386	3.268	10	20	DGCD	
Oc1cc2c(cc1CN1CCOc3c(Cl)cccc31)OCO2	789572081	SCDAOZDPSBKTAK-UHFFFAOYSA-N	319.744	3.173	10	20	DGCD	
CC1(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	785468928	MHUAMFQKAKPVBU-HNNXBMFYSA-N	308.853	3.400	10	20	DGCD	
COc1ccc2c(c1)CC[C@@H](NCc1ccc(N(C)C)cc1)C2	784622538	ATWNIUJDVJKJQU-GOSISDBHSA-N	310.441	3.408	10	20	DGCD	
COc1cc(C)cc(CNCCCCN2CCC[C@H](C)C2)c1O	894179866	HYUKMXIFFCLVKI-HNNXBMFYSA-N	320.477	3.311	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(C)cc2C)c(O)c1	794760312	NJFNNLXFGIDMPD-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
COc1cc(C)cc(CNCc2cc(C)cc(Cl)n2)c1O	894664924	IUPIKLYIWUZMAY-UHFFFAOYSA-N	306.793	3.356	10	20	DGCD	
COc1cc(C)cc(CNCCC2CCC(OC)CC2)c1O	894459494	QEDFZWSEPOHZDT-UHFFFAOYSA-N	307.434	3.394	10	20	DGCD	
Cc1cc(NCc2ccc(N3CCCC3)cc2)ccc1C(N)=O	1326960951	GYRJZPVTSBTSIY-UHFFFAOYSA-N	309.413	3.306	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C(C)(C)CC)CC2)cc1	1322870380	VAYXPYALLOXKOB-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)n1cccc1	1342798840	ITKICBIHNYKRFI-VIFPVBQESA-N	313.184	3.378	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc(N2CCCC2)cc1	1608039360	WGHMEXBUCFTFDK-UHFFFAOYSA-N	301.342	3.465	10	20	DGCD	
COc1ccc(O)c(CNc2cc(C(=O)O)c(C)cc2C)c1	1599598477	NSKVETLGUINZJC-UHFFFAOYSA-N	301.342	3.328	10	20	DGCD	
C[C@H](N[C@@H]1CCOC2(CCCC2)C1)c1cc(C(=O)O)ccc1O	1593234249	WSECLDSJYSEOBM-GXTWGEPZSA-N	319.401	3.233	10	20	DGCD	
CN(C[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC(=O)O)cc1	1598450003	HQDLTQYFXUXELA-CRAIPNDOSA-N	311.381	3.390	10	20	DGCD	
CC[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1	166283476	BYFHATWNLSRRIA-GMBSWORKSA-N	301.478	3.419	10	20	DGCD	
CO[C@](C)(CNCc1cccc(Br)c1O)C1CC1	311045858	PUNIBYGBDQCNPP-CQSZACIVSA-N	314.223	3.059	10	20	DGCD	
Cc1cccc(NC(=O)CN(C)Cc2cc(F)ccc2O)c1C	179885449	GTZRPIVGTBZUNR-UHFFFAOYSA-N	316.376	3.219	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	114770724	ZWABLLCCFOSIMK-OAHLLOKOSA-N	320.433	3.190	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(C)c2O)C1	179938322	MZJLKAXHTZRSFD-RDJZCZTQSA-N	318.461	3.217	10	20	DGCD	
CCN(CC)c1ccc(CNc2nccn3nc(C)cc23)cc1	302266320	FQFLDZKDRQPKBP-UHFFFAOYSA-N	309.417	3.496	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2csc(C(C)C)n2)c1	170900462	APXUKWRBAJRQHK-SNVBAGLBSA-N	320.414	3.472	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(Cn3cncn3)cc2)cc1	121284430	AUORYPGHUDQWFO-UHFFFAOYSA-N	307.401	3.005	10	20	DGCD	
CC(C)[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1	305147850	SLGAQVYBIJHBOF-FQEVSTJZSA-N	316.489	3.420	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1Cc1ccccc1	180616931	OZAWMFWDQPVFHE-KAMXEHQASA-N	323.392	3.345	10	20	DGCD	
Cc1c(CN[C@@H](C)c2cc(Br)ccc2O)cnn1C	186187813	WJTDVGUWPASUTG-VIFPVBQESA-N	324.222	3.047	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H](CO)Cc2c[nH]c3ccccc23)c1	185464121	BWUFORWYRUTNCC-ZBFHGGJFSA-N	324.424	3.436	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C[C@H]3CCC[C@H]3C)CC2)cc1	184605828	QUHPGFFGGXOAPN-HZPDHXFCSA-N	316.445	3.170	10	20	DGCD	
Cc1noc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1	42531590	OIVQXLYPSVAYOS-UHFFFAOYSA-N	300.406	3.000	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCOC[C@@H]1C1CC1	93645556	YXQJOBRJECUAOD-CYBMUJFWSA-N	302.201	3.310	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@H](N3CCCC3)C[C@@H]2C)c1O	368043825	QDXOWTXZNOJXMU-SWLSCSKDSA-N	324.852	3.113	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2nnc3n2CCCC3)cc1	277169053	KQRBYDYTIHJEBG-UHFFFAOYSA-N	300.406	3.038	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)c2nccs2)c1	273395233	FHNIXYAUVATNLF-WDEREUQCSA-N	320.414	3.090	10	20	DGCD	
CSC1(CN(Cc2ccccc2O)C[C@H]2CCCO2)CC1	289031858	HBEVNIUDOBPDIA-OAHLLOKOSA-N	307.459	3.269	10	20	DGCD	
CC[C@H](NC[C@](C)(O)c1ccccc1)c1ccc(F)cc1O	286036788	KKGMESWMYUJTTE-WMZOPIPTSA-N	303.377	3.480	10	20	DGCD	
Fc1cccc2c1N(Cc1ccc(N3CCOCC3)cc1)CC2	809767808	USUHDVQPKYCMQO-UHFFFAOYSA-N	312.388	3.225	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)N(C)C(C)C	801596882	SKMOREBBUXXMAM-HNNXBMFYSA-N	306.450	3.250	10	20	DGCD	
Cc1ocnc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	299460198	XAYOINGIHOBOBG-UHFFFAOYSA-N	301.390	3.100	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@H]1CCN(c2ccccc2F)C1	291054121	NUSHYXGROIDLBV-CYBMUJFWSA-N	318.367	3.287	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)c(OC)n1	290232155	RTWPTFRCVUDWAT-CYBMUJFWSA-N	315.417	3.016	10	20	DGCD	
COc1cccc(O)c1CN[C@@H](C)c1nccn1-c1ccccc1	808428796	PRQORTZVMAWAFZ-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1F	817940448	GIRSGXAIQINSEX-SJKOYZFVSA-N	319.399	3.381	10	20	DGCD	
CC[C@H](N[C@H](C)C1(OC)CCOCC1)c1ccc(N(C)C)cc1	817587941	KNFMTVANGYKTAD-QAPCUYQASA-N	320.477	3.377	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cc(F)ccc1F	817938707	QRYXASOMJKFDNM-KPZWWZAWSA-N	319.399	3.381	10	20	DGCD	
CCOc1ccc(N(C)C[C@H](O)Cc2ccc(F)cc2)cc1	815052539	RWQRFBCAWGKFOW-QGZVFWFLSA-N	303.377	3.264	10	20	DGCD	
C[C@H]1C[C@H](CO)CN(Cc2ccc(N3CCCCC3)cc2)C1	817412706	OIORRRGJWHCWBS-WMZOPIPTSA-N	302.462	3.127	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](O)CNCc1ccc(N2CC=CC2)cc1	819096171	YIPJIADGTKYOGS-LAUBAEHRSA-N	322.452	3.317	10	20	DGCD	
Cc1nc(CCCC(=O)N[C@H](C)c2ccccc2O)cs1	827937187	NUQXBUYGZFCLOM-LLVKDONJSA-N	304.415	3.357	10	20	DGCD	
CC[C@H]1C[C@@H](NCc2ccc(N3CCSCC3)cc2)CCO1	823666801	SALOMTXOHXRAEF-WMZOPIPTSA-N	320.502	3.287	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2c3ccccc3C[C@@H]2O)cc1Cl	825354512	XGCYTTGZWODATM-IRXDYDNUSA-N	303.789	3.102	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCOCC(F)(F)F	727168615	RTWXKLQZYACVEZ-UHFFFAOYSA-N	319.323	3.100	10	20	DGCD	
Cc1cc(O)c(CN[C@@](C)(CO)c2ccccc2)cc1Cl	825278997	RHEIDQCTLHHUBV-KRWDZBQOSA-N	305.805	3.351	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CCC1)c1ccc(N(C)C)cc1	823482829	YWOFXGOFTBAVMZ-OAUYIBNBSA-N	301.434	3.301	10	20	DGCD	
CC[C@@H](Cc1ccccc1)C(=O)NCc1cc(OC)ccc1O	734017056	ZBJUCRWVPDXNHG-HNNXBMFYSA-N	313.397	3.286	10	20	DGCD	
CCN(CCNC(=O)c1cc(O)cs1)c1ccccc1C	731870217	VHDXMEFVQBGSIP-UHFFFAOYSA-N	304.415	3.018	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@H]1CCCC[C@H]1C	734406239	OFIQJAGJZWVLPO-KDOFPFPSSA-N	318.461	3.273	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CC2(CCCCC2)C1	839133197	WYFDVGCVVKQDOS-UHFFFAOYSA-N	300.446	3.289	10	20	DGCD	
CC[C@H](C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OC	836407461	ZXMRPXJRTDCKKJ-GRDNDAEWSA-N	321.465	3.174	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H](C)CCCCN)c1O	841079920	ORNRYMHPKFJICI-NSHDSACASA-N	315.255	3.070	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CCCN1	843486418	SAWBPCVVHJNLJK-KRWDZBQOSA-N	317.477	3.022	10	20	DGCD	
Fc1cc(CN[C@@H]2CCCC[C@H]2F)ccc1N1CCOCC1	840962210	JBSRHPICJQSBEA-GDBMZVCRSA-N	310.388	3.033	10	20	DGCD	
CCc1cccc(CN2CCC(C)(c3nc(C)no3)CC2)c1O	848901739	BFMWWDZNISJTPB-UHFFFAOYSA-N	315.417	3.200	10	20	DGCD	
CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(OC)cc1	746109774	VLIICXSQRWKNHS-WMLDXEAASA-N	304.434	3.216	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@H](C)C2)cc1	844856257	MLXVLGPHAPJDDN-GJZGRUSLSA-N	304.434	3.026	10	20	DGCD	
CC[C@@H](C)Oc1cc(-c2noc(Cc3ccc(N)cc3)n2)ccn1	843192645	GSXIFLOTOWSCFN-GFCCVEGCSA-N	324.384	3.482	10	20	DGCD	
C[C@@H](N[C@H]1CCN(CC(F)F)C1)c1cc2c(cc1O)CCCC2	841766000	XWNSYJWUKSTNOS-DOMZBBRYSA-N	324.415	3.261	10	20	DGCD	
NC[C@H](NCc1ccc(N2CCCCC2)cc1)C1CCCC1	841087785	PJQIPVKCFCRURC-IBGZPJMESA-N	301.478	3.284	10	20	DGCD	
C[C@H](N[C@H](CO)Cc1ccccc1)c1ccc(Cl)cc1O	841751543	HVQFRIAKDYVIPD-WFASDCNBSA-N	305.805	3.300	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1CCCS1	751301757	GZKDDABSRSQBTE-CYBMUJFWSA-N	324.409	3.230	10	20	DGCD	
C[C@H](NC[C@H](O)c1ccccc1F)c1cc(F)cc(F)c1O	756455725	ASAMIKGOIRVRID-VFZGTOFNSA-N	311.303	3.194	10	20	DGCD	
CO[C@H](CN[C@H]1C[C@H](C)c2c(F)ccc(O)c21)C(F)(F)F	756835477	MTYWDSQPRBUXOH-OVYXKVPISA-N	307.287	3.247	10	20	DGCD	
C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc2ccccc2c1O	756383699	ZYJUHGNYUNYLAR-UGSOOPFHSA-N	320.392	3.423	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CN(C)Cc3ccccc32)c(O)c1	756997765	YPNWAEBPIIGJJW-GOSISDBHSA-N	312.413	3.067	10	20	DGCD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCc1ccc2c(c1)CCCO2	921782120	QWTFLWDUCYFGMJ-NXHRZFHOSA-N	301.430	3.305	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CO)CC(F)(F)F)cc1F	756994047	KOFOBQWCZBBQPC-LBPRGKRZSA-N	322.346	3.075	10	20	DGCD	
CCN(CC)C(=O)[C@@H](C)N(C)Cc1ccc(N(CC)CC)cc1	857757534	KQWYGOPJLUGDMZ-MRXNPFEDSA-N	319.493	3.222	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@@H]2CCN(C3CC3)C2)c2c(O)ccc(F)c21	756402617	VXDCMCHNEQGYNF-XUJVJEKNSA-N	304.409	3.154	10	20	DGCD	
CC[C@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1O	850553883	ALMHKVAQDNCQKW-DOMZBBRYSA-N	322.424	3.219	10	20	DGCD	
CON(C)CCN[C@H](CCc1ccccc1)c1ccccc1O	850479460	ULPOWKJPYZGEJZ-GOSISDBHSA-N	314.429	3.149	10	20	DGCD	
CNc1cc(Cl)ccc1C(=O)N(C)Cc1ccccc1O	857467081	QTYUPOSXNVJDIN-UHFFFAOYSA-N	304.777	3.360	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@@H](C)c1cc(OC)ccc1O	757652880	GONDENUWEGJFFR-KBPBESRZSA-N	319.401	3.292	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nc(Cl)ccc2F)c1	760132396	GGUYNFZJFQBFKG-MRVPVSSYSA-N	324.739	3.079	10	20	DGCD	
CC[C@H](NCc1ccc2c(c1)CCCN2C)C1CCOCC1	765480802	NHDMIFLHRRFFSH-SFHVURJKSA-N	302.462	3.364	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](C)[C@H]2C)cc1	765982724	IKQAILGMDONVMP-CVEARBPZSA-N	312.413	3.344	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCOc2ccc(C)c(C)c2)c1	862760702	URZCTTSPPPROMD-UHFFFAOYSA-N	313.397	3.403	10	20	DGCD	
Oc1cc2c(cc1CN(CC1CC1)C1CCCCC1)[C@@H](O)CO2	768448558	CVNSNVUDMHBIJF-SFHVURJKSA-N	317.429	3.363	10	20	DGCD	
COCCN(Cc1cc(Cl)cc(OC)c1O)C1CCCC1	761192235	IBOVRMNGSUBCFA-UHFFFAOYSA-N	313.825	3.445	10	20	DGCD	
Cc1cc(NC(=O)c2cc(O)cs2)ccc1N1CCCC1=O	1118579356	FNNRTNVCOAZPDY-UHFFFAOYSA-N	316.382	3.141	10	20	DGCD	
C[C@@H](CN(C)C(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1	779513421	HKPYBLGAXCQMQW-MARXPDLDSA-N	311.381	3.373	10	20	DGCD	
C[C@H](NC(=O)N[C@@H](C)c1ccc[nH]1)c1ccc(N(C)C)cc1	773425466	UWYDLLQRTKHMRP-STQMWFEESA-N	300.406	3.202	10	20	DGCD	
Cc1ccccc1-n1nccc1NC(=O)NCc1ccccc1O	775370381	UUOFOLPGXMUGKG-UHFFFAOYSA-N	322.368	3.208	10	20	DGCD	
C[C@H](NCc1ccc2oc(=O)oc2c1)c1ccc(N(C)C)cc1	883092063	FCKPPMIHYTZIOS-LBPRGKRZSA-N	312.369	3.303	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC2(C(F)(F)F)CCC2)cc1	788030688	VAGXLYVRDSVWTK-UHFFFAOYSA-N	315.339	3.037	10	20	DGCD	
Oc1cc2c(cc1CN1CCC=C(c3ccccc3)C1)[C@@H](O)CO2	789545225	FJOLYZYIHPTHOK-IBGZPJMESA-N	323.392	3.107	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1/C=C\c1ccccc1	790922624	RTEXWOOQTXOZMS-SSCKCOOKSA-N	309.365	3.416	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](C)Cc2ccc(C)cc2)c(O)c1	794387424	HUBLXQVUAFEFFZ-AWEZNQCLSA-N	313.397	3.204	10	20	DGCD	
CC[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(F)cc1O	796685982	VHYCJIDBFYWSEA-OAHLLOKOSA-N	317.364	3.263	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2Cc3ccc(F)cc32)c1	793690005	RNOHJEXRLQQBLE-MGPLVRAMSA-N	315.344	3.057	10	20	DGCD	
CC(C)(O)[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1330652178	KFWAZGONLZOJLF-QGZVFWFLSA-N	302.462	3.270	10	20	DGCD	
CC1([C@H](NCc2cc(Cl)cc(Cl)c2O)C(=O)O)CC1	1776514273	UVUHKVDAHMOJCA-LLVKDONJSA-N	304.173	3.042	10	20	DGCD	
CCC(CC)[C@@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)N(C)C	1609916449	AGAGKIWBMQLYJT-MLGOLLRUSA-N	322.449	3.107	10	20	DGCD	
Cc1cc(CNC2(CC(=O)O)CCCCC2)ccc1N(C)C	1610462294	ZDGLGGOHKIYYEX-UHFFFAOYSA-N	304.434	3.328	10	20	DGCD	
CCN(C(=O)/C=C/c1cnn(C)c1C)c1ccc(F)c(F)c1	157974301	DGXFQMLYDGSJHJ-VMPITWQZSA-N	305.328	3.073	10	20	DGCD	
COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1C	25888733	BGHJMVJYBRHZDY-PTNGSMBKSA-N	316.426	3.460	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1cccc2c1OCCCO2	128494375	NZDGOADGEJOQTL-UHFFFAOYSA-N	319.788	3.497	10	20	DGCD	
COc1cccc(CNC(=O)c2c(F)cccc2Cl)c1O	131040078	CYRFDUMMQYUUHP-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2cc[nH]c2c1	173201878	XQCHUVWEHCJOHF-UHFFFAOYSA-N	321.380	3.273	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Cn3nc(C)nc3C)c2C)c1	176857345	VMDHGAQROMDFAH-UHFFFAOYSA-N	322.412	3.494	10	20	DGCD	
C[C@@H]1Oc2ccc(N[C@H](C)c3cc(F)ccc3O)cc2NC1=O	176982955	NRIWZRLSKLVOSX-ZJUUUORDSA-N	316.332	3.424	10	20	DGCD	
CN(C)c1ccc(CNc2nnc(CC3CCCC3)o2)cc1	181807546	XOSGOCVXXFRTIG-UHFFFAOYSA-N	300.406	3.480	10	20	DGCD	
C[C@H](NCCc1nc2cc(F)ccc2n1C)c1ccccc1O	183609249	WWIKTQFVSGWJAB-LBPRGKRZSA-N	313.376	3.311	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1	185164386	YFHVFKAGILHVRG-HUUCEWRRSA-N	310.397	3.157	10	20	DGCD	
CN(Cc1ccccc1)C(=O)N(C)Cc1ccc(N(C)C)cc1	185727730	VHULRNMHFWJTPN-UHFFFAOYSA-N	311.429	3.436	10	20	DGCD	
CCOC(C)(C)CNC(=O)N(CC)Cc1ccc(N(C)C)cc1	187713063	RCSKWYGBINGMKL-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1OC(C)C	194107727	GFOYKQXYGMYOHQ-UHFFFAOYSA-N	321.398	3.289	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2CC[C@H](SC)C2)c1O	230934998	QHPLAPLMDYHWSZ-NEPJUHHUSA-N	301.839	3.428	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@H]([C@H]3CCCO3)C2)cc1C(C)C	246309931	WDOPFTUDKPAHKX-MOPGFXCFSA-N	319.445	3.204	10	20	DGCD	
CC(C)(C)c1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1	272387368	XBVSIBQSCLTDEV-UHFFFAOYSA-N	313.397	3.254	10	20	DGCD	
CCOc1cc2c(cc1NCc1cccc(F)c1O)OCCO2	275111326	DAWDQBRWDBKQMW-UHFFFAOYSA-N	319.332	3.313	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCCC2=CCCCC2)c1O	278939774	XLWNMGXGIDTYMC-UHFFFAOYSA-N	306.362	3.289	10	20	DGCD	
C[C@@H](NCC1([S@](C)=O)CC1)c1ccc(N2CCCCC2)cc1	282317600	NJCQEUYCYHJJKO-QRQCRPRQSA-N	320.502	3.239	10	20	DGCD	
COc1cccc(CNCCCc2ccc3c(c2)CCO3)c1O	289186377	BAHVVOSCHDYQDV-UHFFFAOYSA-N	313.397	3.058	10	20	DGCD	
C[C@H](NCc1cncn1C)c1ccc(N2CCCCC2)c(F)c1	289655119	GKQORMIUTKBXJU-AWEZNQCLSA-N	316.424	3.400	10	20	DGCD	
CCOc1cccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O	290953004	QULHPIITXSCJEE-WMZOPIPTSA-N	317.429	3.324	10	20	DGCD	
CCOCc1cc(CNCc2oc(CC)nc2C)ccc1OC	291754271	LZAKSZPEEBQAFT-UHFFFAOYSA-N	318.417	3.380	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnccc2OC)cc1F	292526388	FHILIGDRINUBAT-UHFFFAOYSA-N	317.408	3.365	10	20	DGCD	
CCOCCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	298612290	KSWIZKAKORKSMN-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
Cc1c(CNc2cnnc(O)c2Cl)n(C)c2ccccc12	359828926	HDPUKNMUURBZSE-UHFFFAOYSA-N	302.765	3.248	10	20	DGCD	
O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cc(O)cs1	732274015	NUWHZYUAMXCPFW-UHFFFAOYSA-N	303.318	3.031	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CCc3cc(C(C)(C)C)ccc32)cn1	749805658	VEBNXANQHSAMCT-VMPITWQZSA-N	309.413	3.320	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C2CC2)c(O)c1O	751538645	UENVYDDVCJPILT-MRXNPFEDSA-N	311.381	3.157	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccnc(SC)c2)c1	756664794	PZKSHABOXKQRDM-LLVKDONJSA-N	304.415	3.369	10	20	DGCD	
CCC(=O)CCCOC(=O)c1cc(C)n(-c2ccccn2)c1C	759478951	UQIUTGGUZKVTDF-UHFFFAOYSA-N	314.385	3.405	10	20	DGCD	
CC(C)[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768449274	ZABGVBPIQVSICB-DYVFJYSZSA-N	305.418	3.076	10	20	DGCD	
C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C(F)(F)F)O1	769495446	FTMWOYNESIEADB-QPUJVOFHSA-N	309.715	3.197	10	20	DGCD	
COc1ccc(O)c(CNc2ncncc2-c2ccccc2)c1	774681051	JHWSHQCZAHDXOB-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@H](C)[C@H](C)C2)c1O	775059030	HIUFGHFKWORFNK-DMDPSCGWSA-N	308.378	3.223	10	20	DGCD	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1C	776748022	RSQOGPCLWQJFEU-UHFFFAOYSA-N	321.398	3.209	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c1	777557892	OHPQRLIQLJRMMF-HXUWFJFHSA-N	322.408	3.105	10	20	DGCD	
CC[C@H](N[C@@H]1CCn2ccnc2C1)c1cc(Cl)ccc1O	779067357	VZBNVDPYQWIEHB-OCCSQVGLSA-N	305.809	3.298	10	20	DGCD	
COc1ccc(CN(C)c2ccc(OC)c(F)c2)c(OC)c1	780779496	HWSKELCNKWMAGT-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
CCOC(CCN[C@@H](C)c1cc(F)cc(F)c1O)OCC	786970771	OKZGTHYBFQDERS-JTQLQIEISA-N	303.349	3.110	10	20	DGCD	
Oc1cc2c(cc1CNCC(F)(F)c1ccccc1)OCO2	788970738	VKYKPUVOPGXOFR-UHFFFAOYSA-N	307.296	3.003	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@](C)(O)C2)c(C(F)(F)F)c1	792830031	UKGCFEQELGJPFY-HNNXBMFYSA-N	316.367	3.118	10	20	DGCD	
COCCCOc1ccc(NCc2ccccc2O)cc1OC	796458699	JDJCPWDQGHTPIK-UHFFFAOYSA-N	317.385	3.428	10	20	DGCD	
CCC[C@]1(CO)CCN(Cc2cc(Cl)cc(F)c2O)C1	809790723	LWKITRPYDAAOAR-HNNXBMFYSA-N	301.789	3.169	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cn1	813330906	IVQVLLMMVLETFR-ZDUSSCGKSA-N	315.417	3.103	10	20	DGCD	
C[C@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCCC2)cc1	817977040	ZQLMVIVQRFNEKJ-SZMVWBNQSA-N	319.468	3.418	10	20	DGCD	
C[C@H](N[C@H](C)CCCN)c1cc(Br)cc(F)c1O	817977954	RZECQHZIVXWATG-BDAKNGLRSA-N	319.218	3.072	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)c3nccs3)C2)cc1	818343223	ZRHUJVOSQBDAIY-UONOGXRCSA-N	317.458	3.329	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](O)CNCCCSc1nccs1	819064237	UUPDTJMYMHUHJF-UKRRQHHQSA-N	322.499	3.380	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3ncc(Cl)cn3)C2)cc1	819933946	AUARDPMHGVMDJP-LBPRGKRZSA-N	318.808	3.077	10	20	DGCD	
CN(Cc1ccccc1O)c1ncccc1C(=O)OC(C)(C)C	825881460	UBQFJVAWKOOGCY-UHFFFAOYSA-N	314.385	3.379	10	20	DGCD	
CO[C@@H](CNCc1cc(Cl)cc(F)c1O)C1CCCC1	827608453	NKWQVKINIZLHOO-AWEZNQCLSA-N	301.789	3.480	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccsc1	839914180	RMQVEXOTUSYVIZ-CQSZACIVSA-N	316.470	3.412	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@H]1C=CCC1	839915822	LFORZSYGGGOHEZ-CVEARBPZSA-N	300.446	3.465	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O)CCCC2	840119974	JVMIQAZNJDEKMW-GUDVDZBRSA-N	315.457	3.396	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1cc(C)n(C)n1	840894156	PMRBZZJMHGIMHV-GDBMZVCRSA-N	314.477	3.385	10	20	DGCD	
Oc1ccc(Cl)cc1CN1C[C@@H](O)C[C@@H]1c1ccccc1	840956152	HJOQFQOCQJZHDN-JKSUJKDBSA-N	303.789	3.354	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H](C)[C@@H]1C	841580982	KAWSEXQXBLYZPB-BZUAXINKSA-N	315.461	3.473	10	20	DGCD	
CCN(C(=O)Cc1ccc(N)cc1)[C@H](C)Cc1ccsc1	843499353	NLTKAIHCRFIGDL-CYBMUJFWSA-N	302.443	3.353	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H]2COc3ccccc3C2)c1O	846143486	JBAVFOADPWQJKB-KGLIPLIRSA-N	313.397	3.303	10	20	DGCD	
Cc1nn(C(C)C)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	846976124	DSIDQKWVXOFCQS-ZDUSSCGKSA-N	314.433	3.329	10	20	DGCD	
Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)c1	858161149	DCEGKFGZQAESRZ-RBUKOAKNSA-N	308.425	3.481	10	20	DGCD	
CC(=O)N(C)c1ccc(CN[C@H](C)c2cc(F)ccc2O)cc1	858496976	WUKNIEKEIQYMMB-GFCCVEGCSA-N	316.376	3.365	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@]2(C)CC2(Cl)Cl)c1	858514139	SOXGGSOFLRHZBX-CYBMUJFWSA-N	317.216	3.084	10	20	DGCD	
C[C@@H]1CCc2ccccc2N1C(=O)CN(C)c1ccc(N)cc1	863557096	ICUYWVWQJJGHAT-CQSZACIVSA-N	309.413	3.073	10	20	DGCD	
COc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)c(O)c1OC	894544442	NFXVVQHOPQTIOH-QGZVFWFLSA-N	303.402	3.174	10	20	DGCD	
CCOCc1cc(CNCC[C@@H]2CCCC[C@@H]2O)ccc1OC	897539248	VLMORXLUXNRVMN-WMZOPIPTSA-N	321.461	3.263	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@H]2OCCC[C@@H]2C1	1116443587	BPCWNSHOLWYHJX-IEBWSBKVSA-N	300.446	3.288	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@H]([C@H]2CCNC2)C1	1118242848	LFADTAATQPBKKR-OALUTQOASA-N	313.489	3.108	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCCC[C@H]2N(C)C)cc1	1338889954	YKYOIVNPXBLVJN-RTBURBONSA-N	303.494	3.495	10	20	DGCD	
Nc1ccc(CNc2cc(Cl)nc([C@@H]3CCCO3)n2)cc1	1580447125	QNDFZYBZOCGRNH-LBPRGKRZSA-N	304.781	3.176	10	20	DGCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@@H](C(=O)O)c1ccccc1	1598505052	FTXGPITVTGYOCQ-OAHLLOKOSA-N	323.751	3.442	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cc(C(=O)O)ccc2O)ccc1F	1600202892	BEFPJISQFBHVSC-LLVKDONJSA-N	303.333	3.389	10	20	DGCD	
COc1ccc(N(C)[C@@H](C)c2ncc(C(=O)O)s2)cc1OC	1607268479	WSPHUXXOVCOESM-VIFPVBQESA-N	322.386	3.056	10	20	DGCD	
CCc1ccccc1NS(=O)(=O)c1cccc2nsnc12	223860	WLEKRSMIDOFQPL-UHFFFAOYSA-N	319.411	3.055	10	20	DGCD	
CC[C@H]1c2ccsc2CCN1C(=O)Cc1ccc(N)cc1	37811734	FGILSBPWHMFOLR-HNNXBMFYSA-N	300.427	3.409	10	20	DGCD	
Cc1cc(C(=O)N2CCC(C)(O)CC2)c(C)n1-c1ccccc1	177767472	XCMAEUNCUFPTBU-UHFFFAOYSA-N	312.413	3.081	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cccnc1Cl	28336825	BFWNVIGIWMGTST-UHFFFAOYSA-N	315.804	3.265	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1cnc(-c2cccs2)s1	177609154	TYNUGIBJZUZQIN-YWEYNIOJSA-N	310.450	3.360	10	20	DGCD	
CCC[C@H](CC)NC(=O)NCc1ccc(N2CC=CC2)cc1	126242853	SWIDXYYMCXLPPV-INIZCTEOSA-N	301.434	3.441	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCOC3(CCC3)C2)c1	129643529	KJKBDOSXPGHEJF-UHFFFAOYSA-N	305.418	3.150	10	20	DGCD	
C[C@@H](NCCn1ccnc1)c1ccc(Cl)c(Cl)c1O	184868884	SSMQDKUGRFAPSW-SECBINFHSA-N	300.189	3.246	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(-n3ccnc3C)nc2)c(O)c1	185084409	IEMGAEFDVVNSLT-CQSZACIVSA-N	322.412	3.441	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc(F)cc1[N+](=O)[O-]	183599326	FBWABWFXQYTPHX-SECBINFHSA-N	306.293	3.188	10	20	DGCD	
C[C@H](NCc1ccc(C(N)=O)cc1)c1ccc2ccccc2c1O	184862155	ACKSHHDCMBKARR-ZDUSSCGKSA-N	320.392	3.495	10	20	DGCD	
C[C@@H](NC[C@@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O	187731367	JWSPEMQYXZNBMM-TZMCWYRMSA-N	321.367	3.487	10	20	DGCD	
Cc1cc(O)c(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1C	93360165	POOBFNDAAOURME-AWEZNQCLSA-N	322.449	3.354	10	20	DGCD	
CN(Cc1cc(Cl)cc(Cl)c1O)CC1(O)CCCC1	93503124	JLSDYEZQBOSGJI-UHFFFAOYSA-N	304.217	3.436	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CC2(c3ccccc3)CC2)c1	528861244	JRJKTMSHSMRQJL-UHFFFAOYSA-N	311.381	3.139	10	20	DGCD	
C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Cc1ccc(N)cc1	262626941	LKHKAXYQBQOUTG-QAPCUYQASA-N	308.425	3.291	10	20	DGCD	
CN(CCc1cnccn1)Cc1cc(Cl)cc(Cl)c1O	273696288	CLLAIZHLDFLASF-UHFFFAOYSA-N	312.200	3.164	10	20	DGCD	
COCC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccco1	272510601	HPGJZCKORLSMBQ-OAHLLOKOSA-N	306.381	3.352	10	20	DGCD	
C[C@H](N[C@@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1O	273479869	LQAUNUZFIYJHFY-NWDGAFQWSA-N	306.362	3.053	10	20	DGCD	
COCC(C)(C)CCCNC(=O)NCc1ccc(N(C)C)cc1	287066023	UJOHSFGZZBIUCZ-UHFFFAOYSA-N	321.465	3.005	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C2CCC2)C2CCC2)c1O	292702869	CNIUGCZTCVGXOO-UHFFFAOYSA-N	306.362	3.216	10	20	DGCD	
CC1(C)CC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	802839683	MKIOQWNSLUPYRG-INIZCTEOSA-N	317.429	3.336	10	20	DGCD	
COc1cccc(CC(=O)NCc2c(C)c3ccccc3n2C)c1	471236540	XNXSKOUHKQJKEO-UHFFFAOYSA-N	322.408	3.354	10	20	DGCD	
C[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC1CCCC1	816589688	FKRHEBSKLVMIBG-VIFPVBQESA-N	315.772	3.149	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](C)c2ccnc(O)c2)c1O	816638976	CUHWLIWHKJTTJJ-VIFPVBQESA-N	308.765	3.006	10	20	DGCD	
COCC1(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)CCOCC1	813875664	QRYJIAHRYGJOGJ-JSGCOSHPSA-N	323.408	3.112	10	20	DGCD	
Cc1cncc(CCC(=O)NCCCSc2nccs2)c1	815590693	FXCYBZLXBLCTPD-UHFFFAOYSA-N	321.471	3.078	10	20	DGCD	
CCN(C[C@H](O)Cc1ccc(F)cc1)c1ccc(OC)cc1	815066437	PAJYZTLHFUHJFQ-QGZVFWFLSA-N	303.377	3.264	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2cnccc2C)c(OC)c1	492452965	CSEBHQVQOKQPQK-VMPITWQZSA-N	312.369	3.083	10	20	DGCD	
CN(C)c1ccc(CNCC(C)(C)C2(O)CCCC2)cc1F	825232066	NKEBUEPHKGHRMM-UHFFFAOYSA-N	308.441	3.313	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)c1ccccc1O	828539655	SEZVTTLBLYSHBY-JEBQAFNWSA-N	324.424	3.439	10	20	DGCD	
O=C(O)C[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1	900024828	AQEJIOOONFHNFM-KRWDZBQOSA-N	311.381	3.317	10	20	DGCD	
COc1ccc(C(=O)N(C)Cc2ccccc2O)c(Cl)c1	731051407	LBNVUQKMSHPVMO-UHFFFAOYSA-N	305.761	3.326	10	20	DGCD	
CCO[C@@H]1CCC[C@H]1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	836406513	UCMCICOWFPAJFO-KBRIMQKVSA-N	319.449	3.070	10	20	DGCD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NCc1cccc(Br)c1O	830529107	DBCSLFHCVLMVOZ-SCVCMEIPSA-N	324.218	3.207	10	20	DGCD	
Cc1ccc(C[C@H](CO)NCc2ccc(N(C)C)cc2)cc1C	835072366	GFBAEQGHIQAMKH-LJQANCHMSA-N	312.457	3.063	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NCc2cccnc2)C2CC2)cc1	918054608	MJYLNBVOPRVFEA-UHFFFAOYSA-N	324.428	3.022	10	20	DGCD	
Cc1cccc(CCNC(=O)NCc2ccc(N(C)C)cc2)c1	749184971	FOSVFODDJWHEMC-UHFFFAOYSA-N	311.429	3.103	10	20	DGCD	
CCS[C@H]1CC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)C1	841960640	URUUAIDQNIJYAM-HOTGVXAUSA-N	321.490	3.127	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1CN	843052244	QOWSZDOVTZQUCQ-QFBILLFUSA-N	301.478	3.236	10	20	DGCD	
C[C@H]1C[C@@H](N[C@H]2c3ccccc3C[C@@H]2O)c2c(O)ccc(F)c21	848566327	VBKBWIPSKXSEFO-VKOGCRJHSA-N	313.372	3.328	10	20	DGCD	
COc1cc(F)cc(/C=C2/SC(=S)N(C3CC3)C2=O)c1	841495401	HHHPQNUSVSLGSK-WUXMJOGZSA-N	309.387	3.198	10	20	DGCD	
CCN(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(OC)cc1	746108827	FELOOUZLMRZWDR-UHFFFAOYSA-N	320.339	3.438	10	20	DGCD	
COc1cccc(CN2CCOc3cc(F)c(F)cc32)c1O	846124135	ZPGMZDAFAAFHGK-UHFFFAOYSA-N	307.296	3.078	10	20	DGCD	
CSC1CC(N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	924792406	CKVQDWZOARPGFQ-KTAKPFMOSA-N	306.475	3.068	10	20	DGCD	
C[C@H](C(=O)O)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1	840995775	VOLLHPWQRIMSPE-OAHLLOKOSA-N	324.424	3.154	10	20	DGCD	
CN1CCc2cc(/C=C3\N=C(c4cccc(F)c4)OC3=O)ccc21	751524681	XKHDLWSZWMEYTQ-YBEGLDIGSA-N	322.339	3.163	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CNC/C=C\CO)cc1	850357518	MELYYQFDKZMLOJ-SREVYHEPSA-N	310.441	3.351	10	20	DGCD	
C[C@@H]1C[C@@H](CCNCc2cc(Cl)cc(F)c2O)CCO1	753584952	CHBUOWKDFMUUJA-MNOVXSKESA-N	301.789	3.480	10	20	DGCD	
CCOCCOCCN[C@@H](C)c1ccc(Cl)c(Cl)c1O	927087331	MOEYAPWUUIULMU-JTQLQIEISA-N	322.232	3.403	10	20	DGCD	
CC[C@@H](O)CCCN[C@@H](C)c1cc(Br)ccc1O	756738788	LFZQOLLFSOBVSF-CMPLNLGQSA-N	316.239	3.356	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1	863165737	MLSGPVJVYBPAKV-QAPCUYQASA-N	312.413	3.135	10	20	DGCD	
Cc1ccc(O)c(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1	768531306	AFWUMBYBRFJZJV-OAHLLOKOSA-N	317.351	3.226	10	20	DGCD	
COc1cccc(O)c1CN(C)C[C@@H]1OCCc2ccccc21	769022277	KFDMWZYBPLIYKR-IBGZPJMESA-N	313.397	3.147	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC[C@H]1CN1CCCCC1	768936923	JCMHGXAASWLBDQ-AWEZNQCLSA-N	308.853	3.496	10	20	DGCD	
Cc1ccc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)c(O)c1	877482455	JBZFPTYPSUVLAN-MRXNPFEDSA-N	309.768	3.316	10	20	DGCD	
O=[N+]([O-])c1ccc2c(c1)CN(Cc1c(O)ccc3ccncc13)C2	1116145587	JLPDKTNUMCGZJB-UHFFFAOYSA-N	321.336	3.364	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(C)(C)OC	876080725	LCJLHUOPUURXEG-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]1c1cccc(F)c1	779526683	XFUSJHFMMNFRNN-KEDPEKRHSA-N	313.328	3.224	10	20	DGCD	
COC[C@@H](C)N[C@H](C)c1cc(Br)cc(C)c1O	779001422	RQKQAEAJMKKXLA-NXEZZACHSA-N	302.212	3.149	10	20	DGCD	
C[C@H](NC(=O)N1CCS[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1	773614958	VHKKQDSWSOYRPP-MJBXVCDLSA-N	321.490	3.349	10	20	DGCD	
Cc1cccc(C[C@@H](CO)N[C@H](C)c2c(O)cccc2F)c1	886596534	HOCDMLQXECUSJM-HIFRSBDPSA-N	303.377	3.094	10	20	DGCD	
CC[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1	774471184	KUPJGKCYAWMLMP-ZWKOTPCHSA-N	318.461	3.479	10	20	DGCD	
COC[C@H](NC(=O)c1cc(O)cs1)c1ccc(Cl)cc1	787927416	FIKFYKAVMCHOTO-LBPRGKRZSA-N	311.790	3.225	10	20	DGCD	
COc1ccc(F)c(CNCc2cc(C)cc(OC)c2O)c1	895380620	ZURATOBYLOKQEP-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCS2)cc1	783036541	DDTYCHWROOIVIE-MRXNPFEDSA-N	306.475	3.435	10	20	DGCD	
Oc1cccc(Cl)c1CNc1cnc(Br)cn1	795798186	LAUNKJOODRCODC-UHFFFAOYSA-N	314.570	3.210	10	20	DGCD	
CC(C)N(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCC1	1324745908	GSMXWXGLSLARAW-UHFFFAOYSA-N	319.468	3.340	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC(=S)NCC1CCC1	1328933637	CTDVJFXDAAWFHL-UHFFFAOYSA-N	319.257	3.463	10	20	DGCD	
C[C@@H]1C[C@@H](C)N(Cc2ccc(N3CCCC3)cc2)C[C@H]1CN	1325701908	CLIDHIRRIKLNHK-JFIYKMOQSA-N	301.478	3.092	10	20	DGCD	
CCOC(=O)[C@@H](C)N(Cc1ccc(N2CCCC2)cc1)C1CC1	1338770645	USZOXMSNQKFXQU-OAHLLOKOSA-N	316.445	3.203	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CCC[C@@H]2CCC[C@H]21	1338750740	NXEJUKWYDZYWGJ-WDEREUQCSA-N	304.419	3.018	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)OCc2cnn(C)c2)c1C	1347064474	ZDKJTUWIWVCTKZ-UHFFFAOYSA-N	323.396	3.493	10	20	DGCD	
CCC[C@@]1(CO)CCN(Cc2ccc(N3CCCC3)cc2)C1	1261185052	DEANCDQOACGICH-LJQANCHMSA-N	302.462	3.271	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)Cc1nccn1C(F)F	154992401	NFYSIVGRFHYRDX-UHFFFAOYSA-N	301.724	3.269	10	20	DGCD	
O=C(O)c1cnc(S[C@@H]2CCN(Cc3ccccc3)C2)s1	1608978783	RJFGIFFGQCBMPA-GFCCVEGCSA-N	320.439	3.208	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)[C@H](Cc2ccccc2)C(=O)O)c1	1600464646	HIGUMJXUHQMHIJ-PBHICJAKSA-N	313.397	3.122	10	20	DGCD	
CC[C@@H](C)CC(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1	1754265528	MDHVMGKYOODBBU-HIFRSBDPSA-N	306.450	3.034	10	20	DGCD	
CCc1cccc(CN2CCc3cccc(C(=O)O)c3C2)c1O	1597587172	RDMRMUHLOJKOEX-UHFFFAOYSA-N	311.381	3.211	10	20	DGCD	
COc1ccc(CNC[C@@H](C)NC(=O)[C@H](C)C(C)(C)C)cc1C	1754231615	NYYAMXKOOFJEFZ-CABCVRRESA-N	320.477	3.280	10	20	DGCD	
Cc1ccc(NC(=S)NCCc2ccc(O)c(O)c2)cc1F	18918624	ULMCMVBWDGFJOW-UHFFFAOYSA-N	320.389	3.074	10	20	DGCD	
CC[C@@H](NC[C@H](O)C(C)C)c1cc(Br)ccc1O	119220984	HTLSLIHKYOKELC-OCCSQVGLSA-N	316.239	3.212	10	20	DGCD	
Cc1cc([N+](=O)[O-])cnc1NCCCSc1nccs1	301792533	RHGZLHNUTOBBNR-UHFFFAOYSA-N	310.404	3.349	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Br)cc(C)c2O)CCO1	124524924	YEMVUXDHQJZTHY-ZDUSSCGKSA-N	314.223	3.074	10	20	DGCD	
C[C@H](NCCC(=O)NC1CCCCC1)c1cc(F)ccc1O	185091323	UWXOHZJSVMPCAQ-LBPRGKRZSA-N	308.397	3.021	10	20	DGCD	
Cc1cccc(CN2CCSC[C@@H]2c2nccs2)c1O	186666193	KEYNFXUKQCBLCQ-CYBMUJFWSA-N	306.456	3.447	10	20	DGCD	
O=C(CC1CCSCC1)NCCCSc1nccs1	137271304	RRVVWZGGUAXGBQ-UHFFFAOYSA-N	316.517	3.275	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2cc[nH]n2)c1C	194463993	VOWFYQGSUPUHMU-UHFFFAOYSA-N	308.385	3.056	10	20	DGCD	
Nc1ccc(CCNC(=O)c2ccc(OCC3CC3)cc2)cc1	237957861	KBWKHBJASJKBRG-UHFFFAOYSA-N	310.397	3.030	10	20	DGCD	
Cc1c(CNC(=O)N[C@H]2CCCSC2)n(C)c2ccccc12	349495466	ULLFYEYUDWBWSM-ZDUSSCGKSA-N	317.458	3.182	10	20	DGCD	
CC1=C(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCCO1	270080018	ZQSRHMHLEBPZBX-UHFFFAOYSA-N	314.429	3.328	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCOC[C@H]2C)c(C)n1-c1ccccc1	278783499	YLLXNQFVVDBSAW-ACJLOTCBSA-N	312.413	3.249	10	20	DGCD	
CCOc1cccc(CN2CC=C(C(F)(F)F)CC2)c1O	271213179	VLYSQNVVQSOOLY-UHFFFAOYSA-N	301.308	3.485	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@]2(C)CCCS2)c1	273610411	VQWDXPTZMNEXCJ-BZNIZROVSA-N	309.431	3.115	10	20	DGCD	
CC(C)C[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	277222311	HXLPVBBPTGGUSP-KRWDZBQOSA-N	304.434	3.266	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCC3=CCCOC3)c2C)c1	288159137	YWGVUFNZJMBZGP-UHFFFAOYSA-N	324.424	3.479	10	20	DGCD	
CCOc1cccc(CN(CC)CCCN2CCCC2)c1O	289444426	MGALZHGWFXCBKB-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
CC[C@H](C)N1CC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O	285751122	ASICAKZAPUFIBE-AWEZNQCLSA-N	317.433	3.096	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1conc1C1CC1	280905163	HYZQMNWGWUFQHG-UHFFFAOYSA-N	313.401	3.280	10	20	DGCD	
CC[C@H](NCCCNC(=O)C1CCC1)c1cccc(Cl)c1O	287561269	GGXJLXDLKOZXQU-HNNXBMFYSA-N	324.852	3.393	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](O)Cc2cccc(F)c2)c(O)c1C	297390234	RSTQKNYNZOGKHM-YOEHRIQHSA-N	317.404	3.402	10	20	DGCD	
COc1cc(Br)cc(CN[C@@H]2CCC2(C)C)c1O	808421330	CBHLPFOEQGJTQE-GFCCVEGCSA-N	314.223	3.442	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCC(C)(C)[N+](=O)[O-]	296130074	SEYYOGDXSCGIHC-UHFFFAOYSA-N	322.405	3.356	10	20	DGCD	
CCCn1cc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)nn1	817760724	FZAYDPJWJRTTJJ-UHFFFAOYSA-N	312.373	3.016	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@]2(C)CC2(F)F)cc1F	817531573	RGHJCQDFNSFTPD-HNNXBMFYSA-N	314.351	3.333	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)c3ccccn3)C2)cc1	818342165	MTNOLWYJYDTTHG-JKSUJKDBSA-N	311.429	3.267	10	20	DGCD	
C[C@@H](N[C@H](CN)C1CC1)c1ccc(N2CCCCCC2)cc1	817959863	JSBXDQTZNBWJAZ-DNVCBOLYSA-N	301.478	3.455	10	20	DGCD	
CC[C@H](O)CN[C@@H](C)c1cc(Br)cc(Cl)c1O	813883301	CCIPYUOIGDMHHN-CBAPKCEASA-N	322.630	3.230	10	20	DGCD	
CN1CCN(Cc2ccc(N(C)C)c(F)c2)c2ccccc2C1	816618349	VNXWVSRCVRAVPS-UHFFFAOYSA-N	313.420	3.344	10	20	DGCD	
CCN(CCc1cccs1)C(=O)c1c(F)ccc(O)c1O	825432943	SXRAOLIDJFZIFG-UHFFFAOYSA-N	309.362	3.003	10	20	DGCD	
Cc1c(Cl)ccc2c1N(C(=O)/C=C/c1cnn(C)c1)CCC2	736063706	UJJQXZOPGGTZQN-VMPITWQZSA-N	315.804	3.375	10	20	DGCD	
CC[C@@H](NC[C@H]1CCN1C)c1cc(Cl)cc(Cl)c1O	903318794	SYOVOOOZQGTZJS-ZWNOBZJWSA-N	303.233	3.444	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H](O)c1ccccc1Cl)CC2	834668807	OBXMJKXZIBPUNL-ZBFHGGJFSA-N	303.789	3.356	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1ccsc1	839914178	RMQVEXOTUSYVIZ-AWEZNQCLSA-N	316.470	3.412	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1C	744442041	DDQKJZDCSDZIMI-FZMZJTMJSA-N	303.324	3.161	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC([C@H]2CCCNC2)CC1	849349518	BXWCWOJCZJTBBL-AWEZNQCLSA-N	308.853	3.257	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O	840120447	LLUDUPCSLAMMKR-BMGDILEWSA-N	312.413	3.066	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@H]1CCO[C@@H](C(F)(F)F)C1	846056258	RYXGEGOCWHWGCM-CMPLNLGQSA-N	309.715	3.245	10	20	DGCD	
COCCONC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	748774574	STPYXBABEUMQNJ-UHFFFAOYSA-N	322.792	3.055	10	20	DGCD	
CCc1sc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1C	916602474	PHOPSDFAIALTSO-UHFFFAOYSA-N	320.366	3.070	10	20	DGCD	
CC(C)N1CC[C@H](N(C)Cc2cc(C(C)(C)C)cc(O)c2O)C1	840151507	GTKWPPDHYSMNMM-INIZCTEOSA-N	320.477	3.310	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](CN)CC(C)C	841955054	YIPLABXUUCXIGQ-MRXNPFEDSA-N	321.465	3.077	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)[C@H](O)c2cccc(F)c2)c(O)c1	749114604	FTKZPNAQOYUZHN-SGTLLEGYSA-N	319.376	3.142	10	20	DGCD	
C[C@@H]1CCC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2	743590334	FQJOVMULGYPRNW-MLGOLLRUSA-N	302.418	3.259	10	20	DGCD	
C[C@H](NCc1cccc2c1OCO2)c1cc(F)cc(F)c1O	756462844	YFZCRBXZPKGNTI-VIFPVBQESA-N	307.296	3.250	10	20	DGCD	
CCN(CC[C@H]1COC(C)(C)O1)c1ccc(OC)c(OC)c1	851828273	PHJZKWQHHKFCBS-AWEZNQCLSA-N	309.406	3.072	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](O)CNCc1cc(Cl)ccc1O	850412058	SIPPYJTWBFXZSJ-SJKOYZFVSA-N	305.805	3.300	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2nc3c(s2)CCC3)c1	926932336	UWRHBQAOOWUMLO-LLVKDONJSA-N	318.442	3.239	10	20	DGCD	
c1cc2c(cc1CNCCc1nc3c(s1)CCC3)CCCO2	922716870	XDXCYPNJQRPNQD-UHFFFAOYSA-N	314.454	3.289	10	20	DGCD	
CN(CC(C)(C)C)C(=O)NCCCSc1nccs1	759586842	VLKOJVGRJOXKHH-UHFFFAOYSA-N	301.481	3.313	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CCc3c2cccc3C(F)(F)F)cn1	759274844	XWORCDGGEMJIQY-AATRIKPKSA-N	321.302	3.041	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCCS1	753193173	WWRNKEGDGKJOAC-INIZCTEOSA-N	321.490	3.146	10	20	DGCD	
CCOc1cccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)c1	751536560	ZEOIQFCYOVGKIA-GFCCVEGCSA-N	315.369	3.296	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CC2(CC2)C1	854948140	LIOSXSUQXFVKQT-CQSZACIVSA-N	300.446	3.298	10	20	DGCD	
COc1cc(CNCc2cnn(C)c2C)c(O)c(C(C)(C)C)c1	850225989	JKPYBQFULBGWGD-UHFFFAOYSA-N	317.433	3.030	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c(F)ccc(C)c2F)c1	767087170	HVRDSTPZURHNKZ-JTQLQIEISA-N	321.323	3.478	10	20	DGCD	
Cc1oc(C(C)(C)C)cc1C(=O)NCCc1ccc(O)c(O)c1	934939768	VTWHUWCNTOBESB-UHFFFAOYSA-N	317.385	3.269	10	20	DGCD	
CC[C@@H](N[C@H]1CCCN(C(=O)OC)C1)c1ccc(N(C)C)cc1	765632345	ZRJJBWJAADKNDY-DOTOQJQBSA-N	319.449	3.024	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCC(F)(F)F)c1	770792333	PEQSWFWOSCIOMI-SECBINFHSA-N	305.296	3.311	10	20	DGCD	
Cn1nc(CCNCc2c(O)cccc2Cl)c2ccccc21	775319448	ULADWHHWTWSJKT-UHFFFAOYSA-N	315.804	3.265	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@@H](F)Cc1ccccc1	778274218	ZZHZTGLLMNOKJS-ZDUSSCGKSA-N	324.446	3.322	10	20	DGCD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(O)c(O)c1	778927068	JQOMVCPZTKIAKL-NSHDSACASA-N	319.788	3.246	10	20	DGCD	
CC[C@@H](CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	778229600	ACSCAUGMZZLEDR-INIZCTEOSA-N	314.429	3.212	10	20	DGCD	
OCC[C@@H](NCc1cc(F)cc(F)c1O)c1ccccc1F	883152631	BMISGFLYNUAKEF-OAHLLOKOSA-N	311.303	3.023	10	20	DGCD	
Cc1cccc(C[C@@H](CO)N[C@@H](C)c2cc(F)cc(F)c2O)c1	786574821	GHFLOTRIPIAMNS-WFASDCNBSA-N	321.367	3.233	10	20	DGCD	
CCCO[C@H]1CCCN(Cc2cc(C)cc(OC)c2O)CC1	894016339	BYSCDNOXSJLPPI-INIZCTEOSA-N	307.434	3.490	10	20	DGCD	
CC(C)OCC[C@@H](O)CSc1ncc(-c2ccccc2)n1C	788071887	ZMVBLRIEQQTQPN-OAHLLOKOSA-N	320.458	3.355	10	20	DGCD	
CN1CCC[C@H](CN(C)Cc2cc(Cl)cc(Cl)c2O)C1	705207667	RWZVSFVYCLDQNK-NSHDSACASA-N	317.260	3.473	10	20	DGCD	
C[C@@H](NCCCn1cccn1)c1cccc(C(F)(F)F)c1O	798181782	ZDYJAXRNLRLFOQ-LLVKDONJSA-N	313.323	3.348	10	20	DGCD	
CC[C@@H](NCc1ccc(C(=O)NC)cc1)c1ccc(C)cc1O	794795052	GMSCUWMDIDYFCQ-QGZVFWFLSA-N	312.413	3.301	10	20	DGCD	
COc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)c(O)c1	794389384	MNDQEHQYMPSNEE-RUDMXATFSA-N	317.772	3.384	10	20	DGCD	
CCNC(=O)C1(CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)CCC1	1326305215	JNNNJXDCTGQALG-KGLIPLIRSA-N	316.445	3.145	10	20	DGCD	
COc1ccccc1-c1cc(CNCc2ccc(N)cc2)on1	1579293409	FCMVQPLYTBTCLL-UHFFFAOYSA-N	309.369	3.222	10	20	DGCD	
CC[C@H](C)[C@@H](C)C(=O)N(C)CCNCc1ccc(OC)c(C)c1	1753245609	DYAYRUZNFFKIFP-GOEBONIOSA-N	320.477	3.234	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CC[C@@H]3C[C@@H]32)cc1F	1776861122	AJAFLGYXVZYIHS-QWQRMKEZSA-N	320.408	3.015	10	20	DGCD	
CO[C@@H]1CCN(Cc2cccc(Br)c2O)C[C@@H]1C	824814617	BVYWRTIMJRFLGC-GXFFZTMASA-N	314.223	3.012	10	20	DGCD	
COc1ccc(CN(C)Cc2cc3c(cc2O)OCO3)cc1C	103134316	GYDDNNBFUBBWEI-UHFFFAOYSA-N	315.369	3.070	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1ncccc1[N+](=O)[O-]	301739673	DCQLHSGKOKAYIG-UHFFFAOYSA-N	300.362	3.082	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1	114582341	MMVRQVOTTVNWJA-LALPHHSUSA-N	306.406	3.025	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1	175012838	GMOQLPMIKZEAHY-CTNGQTDRSA-N	320.436	3.273	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc(CC)nn1C	173202246	ZACTZFPDVWBKNM-UHFFFAOYSA-N	316.405	3.132	10	20	DGCD	
C[C@@H](NCC1(N2CCOCC2)CCCCC1)c1ccccc1O	183379643	ZJJXPDIEOSLUOR-MRXNPFEDSA-N	318.461	3.078	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	133753396	OSACLNMHICHLIS-ZYHUDNBSSA-N	301.308	3.377	10	20	DGCD	
Cc1ccsc1/C=C1/SC(=S)N(Cc2ccon2)C1=O	130357478	KELZGOXXDUILLT-IZZDOVSWSA-N	322.436	3.446	10	20	DGCD	
CC1(C)COc2cc(NCc3cc4c(cc3O)OCO4)ccc21	527741783	AZLSVZGEXBBBLJ-UHFFFAOYSA-N	313.353	3.403	10	20	DGCD	
Cc1ccoc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1	266209810	NUIMVJDMAIPHJR-HNNXBMFYSA-N	300.402	3.275	10	20	DGCD	
CCCC[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	277299714	MWUJVBGLCSTTEB-KRWDZBQOSA-N	304.434	3.410	10	20	DGCD	
CCCCn1ncc(C(=O)N(C)Cc2ccccc2O)c1CC	277137137	PFKXMMRZBFGFLY-UHFFFAOYSA-N	315.417	3.223	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)C(C)(C)n2cncn2)cc1	283832501	AQFWPYVYZSIGQL-OAHLLOKOSA-N	315.465	3.038	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](CC)c2ccc(C)cc2O)[C@@]12CCCO2	280218772	UNXYJVGNBBHVAU-LULLPPNCSA-N	319.445	3.468	10	20	DGCD	
Cc1ccc2c(c1)CC[C@@H](C(=O)N(C)Cc1ccccc1O)O2	280003699	SGOCOWBAJXWROD-SFHVURJKSA-N	311.381	3.053	10	20	DGCD	
COCCCn1nccc1CN(C)c1ccc(OC(C)C)cc1	282798369	MWIKOZZVKGIBEO-UHFFFAOYSA-N	317.433	3.343	10	20	DGCD	
CCCOc1ccc(CN2CC[C@H](O)C23CCCC3)c(O)c1	294067264	YHFXYVRNFBESAI-KRWDZBQOSA-N	305.418	3.060	10	20	DGCD	
CCCc1nc(C)c(CNCc2ccc(N(C)C)c(F)c2)o1	291653532	DCGJRPRAQVVZLJ-UHFFFAOYSA-N	305.397	3.430	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCn3nccc32)cc1	299507656	NCAAMNMMFVCNRA-UHFFFAOYSA-N	320.396	3.341	10	20	DGCD	
Oc1cccc2c1[C@H](NCC1([C@H](O)c3ccccc3)CC1)CC2	297047292	VLCRVGJOFBQBAZ-VQIMIIECSA-N	309.409	3.483	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(C(C)(F)F)cc2)c1O	815834732	WVFZMGGEQXKKLM-UHFFFAOYSA-N	321.323	3.443	10	20	DGCD	
CC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(C)(C)O	816653000	BNPNLLJRSFSPKS-CQSZACIVSA-N	318.383	3.411	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	816559184	AWILNVYBFFYTPJ-KMUNFCNLSA-N	311.784	3.232	10	20	DGCD	
COC1([C@H](C)N[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)CCOCC1	817587698	HISIRIFOKMWFQI-MBNYWOFBSA-N	323.408	3.253	10	20	DGCD	
CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cc(Br)c(F)cc1O	810257057	GQQRLOJFGBESKX-VGMNWLOBSA-N	320.202	3.368	10	20	DGCD	
CC(C)CCC[C@@H](C)NC(=O)COc1ccc(N(C)C)cc1	810001721	KIQBIHIBAOCQAH-OAHLLOKOSA-N	306.450	3.462	10	20	DGCD	
COCCSCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C	829243488	FAVLYFGKIHVOIX-UHFFFAOYSA-N	322.405	3.191	10	20	DGCD	
CC(C)(C)N1CC[C@@H](NCc2cc(Cl)c(F)cc2O)C1	826866874	GFBYYKFPVGFJQC-LLVKDONJSA-N	300.805	3.147	10	20	DGCD	
Cc1cc(CN(C)Cc2cnccn2)ccc1N1CCCCC1	827998676	AVQSLHJBMNBUEU-UHFFFAOYSA-N	310.445	3.407	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)c2ccccc2O)nn1C(C)(C)C	827930886	SYQZPCNUYKWDCK-GFCCVEGCSA-N	301.390	3.143	10	20	DGCD	
O=C(O)c1ccc(CNCCCSc2nccs2)s1	903677869	AHPIRIXNOUKOOE-UHFFFAOYSA-N	314.457	3.175	10	20	DGCD	
Cn1cc(NC(=O)c2cc(O)cs2)c(C2CCCCC2)n1	833267440	CPYIGVVLPYLWCQ-UHFFFAOYSA-N	305.403	3.487	10	20	DGCD	
COc1ccc(N(CCO[C@H]2CCCCO2)CC2CC2)cc1	831588285	WXWMEWNHEQJGQF-SFHVURJKSA-N	305.418	3.455	10	20	DGCD	
CCC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	919076407	HZKGTWCQIWVMOB-CYBMUJFWSA-N	300.358	3.014	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCc2ccccc2O1	839682234	AYQFIAHCHNADLX-LJQANCHMSA-N	324.424	3.071	10	20	DGCD	
CC(=O)c1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)on1	846776242	NIMFEBYFZMOHAL-UHFFFAOYSA-N	315.417	3.354	10	20	DGCD	
C[C@H](CCc1ccccc1)NC[C@H](N)c1ccc(N(C)C)cc1	841044575	DIJWMNZSZNUVFA-UZLBHIALSA-N	311.473	3.363	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@]1(CO)C[C@H]1c1ccccc1	840946429	JYFFPOVEGQOAJZ-LEWJYISDSA-N	324.468	3.317	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@@H]1NCCc2ccccc21	841069361	VMWALLSBTJOXHT-INIZCTEOSA-N	302.805	3.022	10	20	DGCD	
Cc1ccccc1C(C)(C)NC(=O)NCCc1ccc(N)cc1	841955455	CJNBYLYYQFKLED-UHFFFAOYSA-N	311.429	3.354	10	20	DGCD	
OC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1F	922264364	SIGXRRHOEXXZPT-QGZVFWFLSA-N	319.351	3.113	10	20	DGCD	
CCC1(O)CCC(NCc2cc(F)c(N(C)C)cc2F)CC1	858157448	YYKJKEGYUSXVNC-UHFFFAOYSA-N	312.404	3.204	10	20	DGCD	
Cc1csc([C@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)n1	854325142	ZNHQBLBGRYRHMS-ZDUSSCGKSA-N	317.458	3.280	10	20	DGCD	
C[C@@H](N[C@H](C)C1(CO)CC1)c1cccc(C(F)(F)F)c1O	850515416	KUIIDNMLKAZXLM-NXEZZACHSA-N	303.324	3.223	10	20	DGCD	
CN1CCCc2cc(CNC(=O)C(F)=C3CCCC3)ccc21	763029321	JOAHQLYULASKQH-UHFFFAOYSA-N	302.393	3.483	10	20	DGCD	
C[C@H]1CCCC[C@@H]1OCCNC(=O)N[C@H](C)c1ccccc1O	868103160	GDVYCTFSYRNHCN-VBQJREDUSA-N	320.433	3.348	10	20	DGCD	
CCOC1CC(N(C)Cc2c(O)cccc2Br)C1	862369684	WPPIWDHEJHRXKE-UHFFFAOYSA-N	314.223	3.154	10	20	DGCD	
CCOc1ccc(CN2CCOC[C@H]2c2ccc(C)o2)c(O)c1	769447241	XFNAXWQGOQXKBH-INIZCTEOSA-N	317.385	3.266	10	20	DGCD	
CC[C@H](C)N(CCO)Cc1cc(OC)cc(C(C)(C)C)c1O	862387624	OMOHAXOGWKRTOJ-ZDUSSCGKSA-N	309.450	3.291	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CN1[C@@H](C)CC[C@@H]1C	769290817	JRSMPSZQIMYAMA-GJZGRUSLSA-N	304.434	3.004	10	20	DGCD	
CCOC(=O)CC[C@@H]1CCCN(Cc2ccc(C)cc2O)C1	876814311	LOAMWJAVLLUPBT-HNNXBMFYSA-N	305.418	3.256	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)C1(Oc2ccccc2)CC1	1118837090	JRWPVYSSKWOBNC-UHFFFAOYSA-N	317.772	3.273	10	20	DGCD	
CC[C@H](N[C@H](C)CC[S@](C)=O)c1cc(Cl)ccc1O	775527826	UQUBYWKNHQHMOK-KRDDEPHXSA-N	303.855	3.243	10	20	DGCD	
Cc1ccc(CNC[C@](C)(O)c2cccc(Cl)c2)c(O)c1	877375004	QVNJYYPPVKDBCT-KRWDZBQOSA-N	305.805	3.351	10	20	DGCD	
Cc1ccc(CN[C@H](Cc2nc(C)no2)c2ccccc2)c(O)c1	877478820	QDVXFGWNUNNGIY-QGZVFWFLSA-N	323.396	3.466	10	20	DGCD	
Cc1ccc(CNCC(C)(C)NC(=O)OC(C)(C)C)c(O)c1	877075601	OMHOBQMVZFACBH-UHFFFAOYSA-N	308.422	3.094	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H]2CCCCN2C2CC2)c1O	775158131	NROYBYLWLRDJKF-OAHLLOKOSA-N	324.852	3.161	10	20	DGCD	
COc1cc(O)c(CNC(C)(C)c2cccs2)cc1OC	776174927	JQUCHPIUWFXNDL-UHFFFAOYSA-N	307.415	3.496	10	20	DGCD	
CC1CCN(c2nnc(-c3sccc3O)n2CC2CC2)CC1	1123425116	WKALZYHATLVLFJ-UHFFFAOYSA-N	318.446	3.359	10	20	DGCD	
CC(C)C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775689320	CRXWFEJGXNNIDD-LJQANCHMSA-N	315.505	3.306	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(C)cc(OC)c2O)cc1O	893972827	FHCUFUKROMOXLU-UHFFFAOYSA-N	317.385	3.055	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OC[C@@H]3CC[C@H](C)O3)sc2n1	789010097	AQAKNBGMZWNYGT-QWRGUYRKSA-N	320.414	3.220	10	20	DGCD	
CCOC(=O)[C@H]1CCCCN1Cc1c(O)ccc(Cl)c1F	792157340	URHZMRWOULQZKH-GFCCVEGCSA-N	315.772	3.102	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CC[C@H](C2CCC2)C1	1340903210	NGQMQMSKFGBPPO-LBPRGKRZSA-N	318.446	3.359	10	20	DGCD	
C=C/C(C)=C\CC(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1	1752895250	ZSEJMCAFWJFGSY-ACQAZONXSA-N	316.445	3.120	10	20	DGCD	
CCCC[C@](C)(NCc1c(O)ccc(Cl)c1F)C(=O)O	1776768322	FXQXZVFVJOASIY-AWEZNQCLSA-N	303.761	3.308	10	20	DGCD	
CCN1CCc2cc(CNc3ccc(C(=O)O)c(C)n3)ccc21	1776878050	XLCFRBOFJBYPJM-UHFFFAOYSA-N	311.385	3.083	10	20	DGCD	
CCN(Cc1ccc(Br)cc1O)C[C@@H](C)OC	691681983	ZZEMAENAZRJSGE-SNVBAGLBSA-N	302.212	3.012	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN[C@@]12CCC[C@@H]1C2	715812252	JNHWZJHRQVZXTO-NOZJJQNGSA-N	300.171	3.326	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cccc(F)c2F)cc1F	58647067	WRHQLTGSDCIKAT-UHFFFAOYSA-N	323.318	3.492	10	20	DGCD	
CC[C@@H](NC[C@@H](O)C(C)C)c1cc(Br)ccc1O	119221205	HTLSLIHKYOKELC-TZMCWYRMSA-N	316.239	3.212	10	20	DGCD	
COc1ccc(N2CCCN(CCOC(C)(C)C)CC2)cc1	68322629	WIXGANHQIFVVFA-UHFFFAOYSA-N	306.450	3.022	10	20	DGCD	
CC(C)C[C@H](CCO)CN[C@@H](C)c1ccc(F)c(F)c1O	187742380	RJDVTBMTVBUYDT-RYUDHWBXSA-N	301.377	3.366	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@@H](c2cccc(F)c2)C1	180060212	KAVSDPDXIYSZPH-QGZVFWFLSA-N	305.324	3.244	10	20	DGCD	
CCOc1cccc(CNCc2cn3cccc(C)c3n2)c1O	76895230	KVUKXCJILRCUEB-UHFFFAOYSA-N	311.385	3.037	10	20	DGCD	
O=C(O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O	315901362	NIACTNSDRCKMHC-OAHLLOKOSA-N	317.772	3.057	10	20	DGCD	
CCOc1cccc(CNc2cnccc2-n2cc(C)cn2)c1O	182668932	OADRBHLQKPMOLN-UHFFFAOYSA-N	324.384	3.292	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)c2cccc(C)c2)c1	186124601	HBSVMDZRPLKPAU-ACJLOTCBSA-N	301.386	3.093	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1	90178561	SPZFODGSSWFYRY-GDBMZVCRSA-N	317.477	3.193	10	20	DGCD	
C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1	271411570	AFWCSECCLURPDX-UGSOOPFHSA-N	302.393	3.276	10	20	DGCD	
Cc1cccc(C(=O)NCCN[C@H](C)c2cc(C)ccc2O)c1	273418005	RHUIQCZAPVKHAQ-OAHLLOKOSA-N	312.413	3.090	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCCCN2C2CC2)c1	278427055	JCIJOCOGBKZMFX-DZGCQCFKSA-N	304.434	3.068	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)CC3CCCC3)CC2)cc1	363298466	DVYNXVIKTPJBLJ-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
C[C@@H]1CN(C(=O)c2cn(C)nc2-c2cccnc2)c2ccccc21	620892016	MBZMXOQABWNNOG-CYBMUJFWSA-N	318.380	3.246	10	20	DGCD	
C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1O	276858223	CFIHLWBCGZELHX-JTQLQIEISA-N	322.311	3.472	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2ncc[nH]2)c1O	376495651	PSFIDRXKPTUCCK-AWEZNQCLSA-N	319.792	3.308	10	20	DGCD	
C[C@@H](NC1CCN(c2nccs2)CC1)c1ccc(F)cc1O	281434509	CIEPMENKFPMXEX-LLVKDONJSA-N	321.421	3.307	10	20	DGCD	
CCCCN(CCCc1nc(C)no1)Cc1ccccc1O	282564134	YSTKNRGJSRVTIW-UHFFFAOYSA-N	303.406	3.319	10	20	DGCD	
CCOc1ccc(O)c(CNCCC2C[C@@H](C)O[C@H](C)C2)c1	801732836	YTOIESKLKOLEHW-ZIAGYGMSSA-N	307.434	3.474	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC1([S@](C)=O)CCC1	393699512	YRYCNNUFIHIOQP-BHVCSQLQSA-N	307.459	3.140	10	20	DGCD	
C[C@@H](NCCc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1	817957254	KEGYKEIEVKDNGW-XLIONFOSSA-N	323.484	3.312	10	20	DGCD	
CCC[C@H](N1C(=O)CN(Cc2ccccc2O)C1=O)C(C)(C)C	819168773	CPBMZWFRBKTXPE-HNNXBMFYSA-N	318.417	3.371	10	20	DGCD	
C[C@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1	815093053	AFRJUALTGBCQBN-LIRRHRJNSA-N	316.420	3.146	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@H](C)C(C)=O)ccc21	728639700	SSFKZGOCSNBUQM-CQSZACIVSA-N	317.385	3.039	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=S)Nc2ccccc2)c1	728793353	QXAMDJZEUHPTLE-NSHDSACASA-N	302.399	3.448	10	20	DGCD	
COc1ccc(N(C)Cc2nc(C(F)F)no2)cc1Cl	822681458	OJJYMHVHMRLUEU-UHFFFAOYSA-N	303.696	3.306	10	20	DGCD	
CC[C@](NCc1ccc(N(C)C)cc1)(C(=O)O)c1ccccc1	901653955	VNGQZQBEWISOFL-LJQANCHMSA-N	312.413	3.232	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC3(CCC3)C2)c1O	830716578	WYNIMUGNKARGNY-NSHDSACASA-N	323.820	3.392	10	20	DGCD	
C[C@@H]1CCC[C@@H](CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1	832278450	CFSPTFWGOMJOQW-RKVPGOIHSA-N	317.477	3.085	10	20	DGCD	
CC(C)(C)[C@@H](CNCc1ccc2c(c1)CCCO2)CC(=O)O	900024979	CZBXJWILWDTSBT-OAHLLOKOSA-N	305.418	3.238	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@@H](c3nccn3C)C2)c1	834910828	FWPZDWZDWSXQTD-JJRVBVJISA-N	315.417	3.005	10	20	DGCD	
C[C@@H](NCc1cn(C)cn1)c1cc(Cl)c(Cl)cc1O	903352957	XLIJARRVXWFIHY-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@@H]1CCc2cccc(O)c21	834761966	WLKBWKVIZWWGOX-GOEBONIOSA-N	301.386	3.210	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1ccccc1)Cc1cc[nH]n1	732286438	XHQSIKCFNOGDRM-UHFFFAOYSA-N	313.382	3.019	10	20	DGCD	
CC[C@H]1CCC[C@@H]1CNC(=O)NCc1cc(OC)ccc1O	838474316	IDZGXJCEDARDDE-QWHCGFSZSA-N	306.406	3.026	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccncc1Cl	744515231	ZRIVGLXSMTZQKP-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
COc1cccc(CNCCC[C@H]2CC2(Cl)Cl)c1O	846103001	SSTHVFYORLUUBW-NSHDSACASA-N	304.217	3.464	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC([C@@H]3CCCNC3)CC2)c1	849350288	NATBSVHKRDRUJF-MRXNPFEDSA-N	318.461	3.003	10	20	DGCD	
CCCc1cc(C(=O)NCc2ccc(N(CC)CC)cc2)n[nH]1	918624718	DMVJPUAMXLKOLV-UHFFFAOYSA-N	314.433	3.138	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](c2ccnn2C)C(C)C)c1O	846165005	KASKISLKKWKYAA-ZFWWWQNUSA-N	317.433	3.225	10	20	DGCD	
C[C@H](Cc1cnccn1)NCc1ccc(N2CCCCC2)cc1	742722977	DJOBWZNWAMSTOM-MRXNPFEDSA-N	310.445	3.188	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CC[C@H]3C3CCC3)cc2)CC1	850568468	YGSULQQUESMBKE-PMACEKPBSA-N	314.473	3.316	10	20	DGCD	
CC[C@@H](O)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C	763841061	OIZCQTSOTMSREU-MRXNPFEDSA-N	314.429	3.293	10	20	DGCD	
CCOc1cccc(CNCCC2CCN(C(C)C)CC2)c1O	865716636	CEMVHCYFHLGQBY-UHFFFAOYSA-N	320.477	3.391	10	20	DGCD	
COCC1(CNC(=O)N[C@H](C)c2ccccc2O)CCCCC1	868631413	SEFGDQBIBINEKM-CQSZACIVSA-N	320.433	3.349	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@@H]2C[C@H](OCC)C2(C)C)c1	769473135	LGXBWMNMTFAVAM-SJORKVTESA-N	307.434	3.426	10	20	DGCD	
C[C@@H]1CCN2[C@H](C1)C(=O)N[C@H]2c1cc(-c2ccccc2)ccc1O	777901499	YXWDROSLVMXRIN-OMWUSAIZSA-N	322.408	3.288	10	20	DGCD	
Cc1ccccc1OCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773017487	GSGMXSJMKRTOOO-OAHLLOKOSA-N	312.413	3.317	10	20	DGCD	
COCCC[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1	777976400	ONHZCCANFMYNDA-MRXNPFEDSA-N	318.461	3.356	10	20	DGCD	
CC(C)(C)OCCCCn1cc(COc2ccc(N)cc2)nn1	881350927	ZYYVDEJJMRNCHG-UHFFFAOYSA-N	318.421	3.035	10	20	DGCD	
COc1cc(C)cc(CN2CCCC[C@H]2c2noc(C)n2)c1O	893968880	NAEZECOZJHZNIK-AWEZNQCLSA-N	317.389	3.128	10	20	DGCD	
COc1ccc(CNCCc2sccc2C)c(O)c1OC	893289954	KRLLBKLYXHDBSB-UHFFFAOYSA-N	307.415	3.112	10	20	DGCD	
COCCOc1cccc(NCc2cc(C)cc(OC)c2O)c1	894103744	DLQKOXXQDHVGSL-UHFFFAOYSA-N	317.385	3.347	10	20	DGCD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@H]1CCc2cccc(O)c21	701914410	FPVZLLLBCOQPSA-JSGCOSHPSA-N	320.433	3.225	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@H]1Cc2ccc(F)cc21	793496955	QPHJMUNFPIANPK-ZDUSSCGKSA-N	322.430	3.221	10	20	DGCD	
CNC(=O)c1cccc(NCc2c(O)ccc(Cl)c2F)c1C	790950810	FNPWHGVBDSLKQE-UHFFFAOYSA-N	322.767	3.465	10	20	DGCD	
COCCCCNCc1cc(Cl)cc(Br)c1O	708098070	CXQCOJBBCLKUGD-UHFFFAOYSA-N	322.630	3.324	10	20	DGCD	
C[C@H]1COCCCN1Cc1ccc(N(C)C)cc1C(F)(F)F	792827827	FKKDRBOKKOSEAD-LBPRGKRZSA-N	316.367	3.382	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNc1ccc2c(c1)CNCCO2	1327431305	PDOZJRREUUGOII-UHFFFAOYSA-N	323.440	3.381	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)CC1(C)C	1323144565	AQTBHRQTLFLTRH-UHFFFAOYSA-N	315.461	3.077	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCS[C@@H](C)[C@H]1C	1263010825	JIPBPNTZPALOBK-ZJUUUORDSA-N	324.475	3.062	10	20	DGCD	
O=C(O)CC1(NCc2cc(Cl)cc(F)c2O)CCCC1	1608687693	CAAZLZXJJSPGEY-UHFFFAOYSA-N	301.745	3.062	10	20	DGCD	
COc1cc(CN[C@@H]2CCCC[C@@H]2CN)c(O)c(C(C)(C)C)c1	1579152676	AAJFETRPQHBMJS-CXAGYDPISA-N	320.477	3.305	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2C[C@@H](CCC(=O)O)C2)cc1F	1776861328	ZECMZLVSPXUGEV-OTVXOJSOSA-N	322.424	3.405	10	20	DGCD	
CCCCc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1	159007208	PICQJLJCMWBFKH-UHFFFAOYSA-N	313.397	3.299	10	20	DGCD	
CCCCN(C)C(=O)NCc1ccc(N2CCSCC2)cc1	47036652	QVVSACIOYXACAO-UHFFFAOYSA-N	321.490	3.181	10	20	DGCD	
COc1ccc(C)cc1/C=C1\SC(=S)N(C2CC2)C1=O	48402616	XXANHYVHMJYYMC-JYRVWZFOSA-N	305.424	3.367	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1	90802145	PMPCZLFWXMCKFL-IEBWSBKVSA-N	324.472	3.467	10	20	DGCD	
CCN(CC)[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	102827142	CRULUYNTHSAPAL-OAHLLOKOSA-N	324.852	3.164	10	20	DGCD	
CN(Cc1ccccc1O)Cc1nccn1Cc1ccccc1	111236420	FITQZELDWANLCP-UHFFFAOYSA-N	307.397	3.269	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(-n3cncn3)c(F)c2)cc1	119876287	YUHPCEMRBPQEGJ-UHFFFAOYSA-N	311.364	3.085	10	20	DGCD	
Cc1cc(NC(=O)c2cccc(O)c2O)ccc1Br	126171586	OOHFFGFULYBWRV-UHFFFAOYSA-N	322.158	3.421	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCS1	127293806	BLHRUKFTDCKYCE-CQSZACIVSA-N	308.447	3.209	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCNC(=O)OC(C)(C)C)cc1	132851186	PQBXBQVXTIBHBI-AWEZNQCLSA-N	321.465	3.318	10	20	DGCD	
Cc1ccccc1[C@@H](C)CC(=O)NCCc1ccc(O)c(O)c1	156663061	JRBBDOYCTMMTTJ-AWEZNQCLSA-N	313.397	3.259	10	20	DGCD	
COc1cc2c(cc1NCc1ncnn1C)oc1ccccc12	176450626	OORULLSJPHYHAX-UHFFFAOYSA-N	308.341	3.335	10	20	DGCD	
COc1ccc(O)c(CN2CCC(Oc3ccccc3)CC2)c1	179728516	ISDZPAHFSJESOX-UHFFFAOYSA-N	313.397	3.444	10	20	DGCD	
Cc1cc(Br)cc(CN2CCO[C@@H](C)[C@@H]2C)c1O	180256920	NHSBITOGBUUBSP-QWRGUYRKSA-N	314.223	3.072	10	20	DGCD	
CCS[C@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	180843735	NKLLVTWWYUKHRX-CYUPMTOZSA-N	321.442	3.292	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(C)(C)CC1	186380922	YFDMAGROFSRCOV-LBPRGKRZSA-N	305.418	3.361	10	20	DGCD	
COc1ccc(N(Cc2cccs2)C[C@H](O)CSC)cc1	188050261	NAUZRYOLFQZTMX-AWEZNQCLSA-N	323.483	3.487	10	20	DGCD	
CCOc1ccccc1N(C)Cc1cc2c(cc1O)OCO2	188693523	SVCPAUSCBUKPFS-UHFFFAOYSA-N	301.342	3.156	10	20	DGCD	
COc1ccc(N2CCN(C/C(Cl)=C\Cl)CC2)cc1F	255615123	HHBVVSZVZPQJEA-PKNBQFBNSA-N	319.207	3.275	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)NC3CCC3)cc2)CC1	264568215	UBYVRRFHEFUGIT-UHFFFAOYSA-N	301.434	3.275	10	20	DGCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CCO1	272351391	QVFRFVLAENVMBQ-WBVHZDCISA-N	320.433	3.175	10	20	DGCD	
CC[C@H](NCc1ccc(C)n(C)c1=O)c1ccc(N(C)C)cc1	279571899	SYIQECJNBUOYJW-SFHVURJKSA-N	313.445	3.001	10	20	DGCD	
CC[C@H](NCCCC(=O)N(CC)CC)c1ccc(F)cc1O	285887348	ZVWYSKGYVCVVPF-HNNXBMFYSA-N	310.413	3.221	10	20	DGCD	
C[C@H](NCC1=CCCOC1)c1ccc(Br)cc1O	286970081	ILXFDUXNMIEPIF-JTQLQIEISA-N	312.207	3.152	10	20	DGCD	
Cc1c(CNC(=O)N(C)Cc2ccc[nH]2)n(C)c2ccccc12	350064428	AUNNHVYIUSTHAK-UHFFFAOYSA-N	310.401	3.156	10	20	DGCD	
CCNC(=O)c1cccc(N[C@@H](C)c2cc(F)ccc2O)c1	388242271	ZWOVJYXNVHLVFH-NSHDSACASA-N	302.349	3.454	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2cc(C)ccc2C)c1	728978206	BTHUMKKUVMVYTF-AWEZNQCLSA-N	313.397	3.438	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)oc(C)c2C)c1	729536495	GCJGILUDFLRFGP-SNVBAGLBSA-N	303.358	3.410	10	20	DGCD	
COc1cccc(CNC(=O)NCC[C@@H]2CCCC[C@@H]2C)c1O	745821055	VBEWIUBIAHVKEV-KBPBESRZSA-N	320.433	3.416	10	20	DGCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)[C@H](c2ccccc2)CO1	754907759	PCOFYEPJLPPLKY-FZMZJTMJSA-N	303.383	3.056	10	20	DGCD	
C[C@@H]1C[C@H](NC2CCN(C3CC3)CC2)c2c(O)ccc(F)c21	756368880	RJZKQXXINGVUTA-ABAIWWIYSA-N	304.409	3.296	10	20	DGCD	
CC(C)N(CCN[C@@H](C)c1cc(F)cc(F)c1O)C(C)C	756369673	CRZZVZMKGRFYBL-LBPRGKRZSA-N	300.393	3.440	10	20	DGCD	
C[C@@H](N[C@@H](CO)CC(F)(F)F)c1cc2c(cc1O)CCCC2	756774388	CKSOZRDQFXFGEC-ZWNOBZJWSA-N	317.351	3.235	10	20	DGCD	
COc1ccc2c(c1)OC[C@H](N[C@@H](C)c1ccc(F)cc1O)C2	756774583	KBKWPFHDYNPMJO-SMDDNHRTSA-N	317.360	3.194	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)[C@@H](C)CC(C)C)cc1F	757852167	WYEITEVFEIKGAF-ZDUSSCGKSA-N	310.413	3.164	10	20	DGCD	
C[C@H](NC[C@H](C)N(C)C)c1ccc(N2CCCCC2)c(F)c1	765776975	XZFYCNKPWWERSI-GJZGRUSLSA-N	307.457	3.417	10	20	DGCD	
CCOc1cccc(CN(C)Cc2csc(CC)n2)c1O	769120353	LPEDYAQQPRAART-UHFFFAOYSA-N	306.431	3.442	10	20	DGCD	
C[C@H](NCCC(C)(C)O)c1cc(Br)c(F)cc1O	775586603	TVTFFKUUEVPRTP-QMMMGPOBSA-N	320.202	3.105	10	20	DGCD	
COc1cccc(O)c1CNc1ccc2c(c1)CCCC(=O)N2	777496679	RDNOHZPBKAVWBI-UHFFFAOYSA-N	312.369	3.288	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2cnc[nH]2)cc1	779488680	HSCWSGCYZDTPCD-KRXBUXKQSA-N	321.336	3.140	10	20	DGCD	
Cc1ccc(C(=O)Nc2cnn(-c3ccccc3)c2C)c(O)c1O	780986253	LFYTZLVAMQEESA-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(OC)cc1O	794387282	HTERYFSMTQJJLC-GUYCJALGSA-N	321.417	3.002	10	20	DGCD	
C[C@H](O)C[C@@H](C)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	798184623	ZKJSHMNAELDDAY-VWYCJHECSA-N	305.340	3.469	10	20	DGCD	
CCSCCCNC(=O)N(CC)Cc1ccc(N(C)C)cc1	800731482	HGSXDXYAKGSJCV-UHFFFAOYSA-N	323.506	3.427	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cc3c(cn2)CCCC3)cc1	813013731	BVSMZPGRUHWUNK-UHFFFAOYSA-N	324.428	3.348	10	20	DGCD	
Oc1c(CN2CCS[C@H]3COCC[C@H]32)ccc2ccccc12	816520605	SVYIMJYLBLEAMR-SJORKVTESA-N	315.438	3.252	10	20	DGCD	
CC(C)(CNCc1cc(Cl)c(F)cc1O)CN1CCCC1	816591605	IZBRDCWSFUNPAK-UHFFFAOYSA-N	314.832	3.396	10	20	DGCD	
C[C@H](NCC1(CC(N)=O)CC1)c1ccc(Cl)c(Cl)c1O	817587148	VGCJVXXQHXZZJU-QMMMGPOBSA-N	317.216	3.005	10	20	DGCD	
Cc1ccsc1[C@@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817938954	WFFPNQSMCIZVLV-CZUORRHYSA-N	303.475	3.473	10	20	DGCD	
CCN(C(=O)c1cc(C)n(-c2ccccc2C)c1C)[C@@H](C)CO	818630318	ACZXQDZQRZIORU-HNNXBMFYSA-N	314.429	3.245	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCC3(SC)CCC3)C2)cc1	822494067	FMYHFKDCOXHHFJ-OAHLLOKOSA-N	320.502	3.397	10	20	DGCD	
Cc1c(Br)cncc1CN(C)Cc1ccccc1O	824596207	CPMCAIDZUCPMSE-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
CC[C@H](C)[C@](C)(O)CNCc1ccc(Br)cc1O	825265927	GCBFIUPIPZCORJ-IINYFYTJSA-N	316.239	3.041	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCN(c3ccccn3)C2)cc1Cl	825384389	AMMWCBBWJQPDNZ-CQSZACIVSA-N	317.820	3.118	10	20	DGCD	
CC[C@H](NCc1ccc(Br)cc1O)[C@H]1CCCO1	825391519	XOERRIIHWYDULO-GXTWGEPZSA-N	314.223	3.202	10	20	DGCD	
CC(C)(C)NCCC(=O)NCc1cc(Cl)cc(Cl)c1O	828026356	QFZDFPSKDBKQNS-UHFFFAOYSA-N	319.232	3.093	10	20	DGCD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	838486818	STCMCKWNWNPMQM-SJLPKXTDSA-N	313.445	3.297	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]1OCC	838725824	PUHZBEHDRRWEOX-NVXWUHKLSA-N	320.433	3.271	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CC1(COC)CC1	843878948	HPJTYKWOMJESTR-UHFFFAOYSA-N	305.418	3.338	10	20	DGCD	
CSCC1(CC(=O)NCc2ccc(N(C)C)cc2C)CC1	844395760	JYXUQGMBCXZDHA-UHFFFAOYSA-N	306.475	3.211	10	20	DGCD	
CCc1cnccc1CNC(=O)NCc1cc(Cl)ccc1O	845095826	FZTDFTRDHKOBNX-UHFFFAOYSA-N	319.792	3.002	10	20	DGCD	
CC[C@H](C)NC(=O)CN(C)c1ccc(-c2nccs2)cc1	846991974	MKSLWUINBWDUAT-LBPRGKRZSA-N	303.431	3.161	10	20	DGCD	
O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1Sc1ncc(Cl)s1	850002132	UIRLCKUTYRVUBP-YIZRAAEISA-N	302.852	3.336	10	20	DGCD	
CCCCN(Cc1ccccc1O)C[C@H](O)c1ccccn1	852019263	XRGFWUMRYALPBS-SFHVURJKSA-N	300.402	3.123	10	20	DGCD	
COc1cc(CN(C)CC2=CCCOC2)c(O)c(C(C)(C)C)c1	853561738	PJSLHTSZRRHVPA-UHFFFAOYSA-N	319.445	3.477	10	20	DGCD	
CC[C@@H](C)n1ncc(NC(=O)NCc2cc(C)ccc2O)c1C	861014604	PCSAQGSYJNEEOY-GFCCVEGCSA-N	316.405	3.498	10	20	DGCD	
CC[C@@H](NC[C@H]1C[C@@H](N)C1)c1cc(Cl)cc(Cl)c1O	873251611	XKNITHVNWTYBON-DFAYQTQMSA-N	303.233	3.477	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H]1CCN(CCc2ccccc2)C1	877007159	FJRMEDLTVZJEMI-LJQANCHMSA-N	324.468	3.355	10	20	DGCD	
CC[C@H](NCc1cc(F)cc(F)c1O)[C@@H](O)c1ccccc1	883203704	JJIUJPQTYSDDNW-RDJZCZTQSA-N	307.340	3.272	10	20	DGCD	
C[C@@H](NC[C@H](CCO)c1ccccc1)c1c(O)cccc1F	886530519	LWLCOXQIUXBYTG-HIFRSBDPSA-N	303.377	3.348	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cnn(C)c1C1CC1	891436814	QAWGFHHKOAQNDU-UHFFFAOYSA-N	312.461	3.386	10	20	DGCD	
COc1ccc(CNCc2cccc(Cl)c2)c(O)c1OC	892451377	SRWCVXNFSKSLBG-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
COc1cc(C)cc(CNc2ccc3c(c2)C[C@@H](OC)C3)c1O	894446236	UDRTUUFBDDOTBV-KRWDZBQOSA-N	313.397	3.435	10	20	DGCD	
C[C@H](N[C@H](c1ccccn1)C1CC1)c1cc([N+](=O)[O-])ccc1O	903335332	NYXABBBKVLYHFJ-GTNSWQLSSA-N	313.357	3.497	10	20	DGCD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(O)cc2O)o1	910952245	UHLVCKFLFUGNMT-NHYWBVRUSA-N	315.369	3.063	10	20	DGCD	
O=C1Nc2ccccc2CC[C@H]1NCc1ccc2c(c1)CCCO2	922225077	QAJWLKHRADZNIH-GOSISDBHSA-N	322.408	3.055	10	20	DGCD	
COc1ccc(CNc2cccc(CN(C)C)c2)c(O)c1OC	1120020879	VOPRNTCARZXZKD-UHFFFAOYSA-N	316.401	3.083	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H](C2CC2)C(F)(F)F)cc1F	1329729715	AHJVSYPUOJYVRL-ZDUSSCGKSA-N	308.294	3.461	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1oc(C2CC2)nc1C(F)F	1348116885	SZNTZXVXCGIHEE-UHFFFAOYSA-N	322.311	3.467	10	20	DGCD	
Cc1cc(NCc2ccc(N(C)C)cc2C)cc(-c2nn[nH]n2)c1	1592052074	AQXKDZAOTLKJKV-UHFFFAOYSA-N	322.416	3.162	10	20	DGCD	
C[C@H](C(=O)O)c1cccc(NCc2ccc(F)c(F)c2O)c1	1603222241	XVQINTSGZBMHER-VIFPVBQESA-N	307.296	3.471	10	20	DGCD	
O=C(O)[C@@H]1C[C@H](NCc2ccc(F)c(F)c2O)c2ccccc21	1605983887	PHVFXWSGYJNDPR-OCCSQVGLSA-N	319.307	3.073	10	20	DGCD	
CCN(C)c1ccc(CNC[C@@H]2CCC[C@@H]2C(=O)O)c(C)c1	1776856569	ZLZDRAAYIHNVTH-RDJZCZTQSA-N	304.434	3.042	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1	92066533	SOPIYSCLJJLXOC-DYVFJYSZSA-N	320.864	3.494	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1cccc(OCCF)c1	122684301	HCJVONKGNLOAKR-UHFFFAOYSA-N	318.348	3.404	10	20	DGCD	
COc1ccc(N(C)Cc2noc(C(C)(C)C)n2)c(OC)c1	132013759	ZXKVEXHHZXLZJN-UHFFFAOYSA-N	305.378	3.021	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCOCC23CCC3)c1O	135546595	XJJRVCMSHFRCGQ-UHFFFAOYSA-N	309.793	3.003	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	156274571	ICVXENYPTIFMEF-KURKYZTESA-N	310.397	3.144	10	20	DGCD	
Cc1ccc(C)c(SCC(=O)NCc2ccc(O)c(O)c2)c1	159108626	JTSKLNIJQOYKMC-UHFFFAOYSA-N	317.410	3.123	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2[nH]ccc2c1	173193915	ASCSHHVUTCSNHE-UHFFFAOYSA-N	321.380	3.273	10	20	DGCD	
CCOC(=O)CC[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	180286843	DOIWSQBDDHZYGF-ZDUSSCGKSA-N	309.381	3.087	10	20	DGCD	
CCOCCCN[C@@H](C)c1ccc(Br)cc1O	184831058	STIHBXCBPHPACI-JTQLQIEISA-N	302.212	3.232	10	20	DGCD	
COc1ccccc1C[C@H](C)CC(=O)NCc1ccccc1O	264484491	YJPPLYIILHTUGP-AWEZNQCLSA-N	313.397	3.286	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)Cc3ccco3)cc2)CC1	269044099	UQNQMWYCSSJABR-UHFFFAOYSA-N	312.413	3.375	10	20	DGCD	
CC[C@H](SC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	269477132	KUAZCUYGAUJINZ-INIZCTEOSA-N	306.475	3.385	10	20	DGCD	
CCCOc1ccc(CN2CCC(c3ncc[nH]3)CC2)c(O)c1	271190456	LWLZWYQNBKPMPW-UHFFFAOYSA-N	315.417	3.284	10	20	DGCD	
C[C@H](CC[S@@](C)=O)N[C@H](C)c1ccc(N2CCCCC2)cc1	271534983	SLKVFRGTBFXOKU-XCGNWRKASA-N	322.518	3.485	10	20	DGCD	
COCC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccco1	273409203	HMLVJEMAQVGPDV-SMDDNHRTSA-N	320.345	3.322	10	20	DGCD	
C[C@@H](N[C@H](C)c1cc(Br)ccc1O)c1cnn(C)c1	273578022	MCZIFSZRZKGJKO-NXEZZACHSA-N	324.222	3.300	10	20	DGCD	
C[C@H](CCCNCc1ccc(N2CCCCC2)cc1)C(=O)O	277456809	VIACLDZXUMBXRK-OAHLLOKOSA-N	304.434	3.267	10	20	DGCD	
CC(C)C[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	278142200	NPNBOZQLQMQOLK-JTQLQIEISA-N	316.188	3.047	10	20	DGCD	
CC[C@@H](NC1CCC(C(=O)NC)CC1)c1ccc(C)cc1O	280258236	XBZUWEGJJWXICM-ZBCRRDGASA-N	304.434	3.046	10	20	DGCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CC(C)(C)C)cc1	282184727	NJTDIESELJSMTD-UHFFFAOYSA-N	324.490	3.093	10	20	DGCD	
COc1cc(O)c(CNC[C@@H]2CCCC(F)(F)C2)cc1OC	282312517	HASIFFGLLQLWCW-LLVKDONJSA-N	315.360	3.325	10	20	DGCD	
CC[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccc(F)cc1O	285791343	USHYUERWQUBCDO-CABCVRRESA-N	303.381	3.383	10	20	DGCD	
C[C@H](NCC(C)(C)OCCO)c1ccc(N2CCCCC2)cc1	287415183	RUWUTCYUAIPNMN-INIZCTEOSA-N	320.477	3.115	10	20	DGCD	
CCNC(=O)C1(CN[C@H](CC)c2cccc(Cl)c2O)CCC1	287708820	NZXIKIAQGHYNSM-CQSZACIVSA-N	324.852	3.393	10	20	DGCD	
CCCOc1ccc(CNCc2csc(COC)n2)c(O)c1	289684408	CRYYSPIHSJLWGB-UHFFFAOYSA-N	322.430	3.074	10	20	DGCD	
C=Cc1ccc(CCNCc2cc(OC)c(OC)cc2O)cc1	291050450	NCDXREZZGIJFPG-UHFFFAOYSA-N	313.397	3.385	10	20	DGCD	
COc1ccc(CN[C@H](c2cccnc2)C(C)(C)CO)cc1C	293576005	HIUGYUOCFHJCNS-GOSISDBHSA-N	314.429	3.248	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@H](CC)c1ccc(F)cc1O	293678563	KDNMVFHGVVAMKB-IUODEOHRSA-N	310.413	3.124	10	20	DGCD	
CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(N)cc1	297169131	KIUJNXJZKXOXSE-UHFFFAOYSA-N	312.413	3.262	10	20	DGCD	
CO[C@H](C)c1nc(CN[C@@H]2CCc3cccc(O)c32)cs1	297946438	YJSFVOGHRQBIBQ-ZWNOBZJWSA-N	304.415	3.333	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC2(N(C)C)CCCCC2)c1	314422468	XUPFRJZLRPUMNT-AWEZNQCLSA-N	306.450	3.316	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@@H]3CCOC3)C2)c1O	366659338	XGJIJNXLDZUUSW-QWHCGFSZSA-N	323.820	3.107	10	20	DGCD	
CCN(C(=O)/C=C\c1cncc(F)c1)c1cccc(OC)c1	491518328	BRWAIAHUYKGNLY-FPLPWBNLSA-N	300.333	3.296	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](C)Cc2ccccc2C)c1O	528863422	WHHVOZQRVOHZNB-AWEZNQCLSA-N	313.397	3.204	10	20	DGCD	
CC(C)(C)c1ncc2c(n1)CCN(Cc1cc(F)ccc1O)C2	529640209	HAYBNHOKHYSACV-UHFFFAOYSA-N	315.392	3.177	10	20	DGCD	
COC1CCC(NCc2ccc(Br)cc2O)CC1	707358436	HINZEOKMJBYQKC-UHFFFAOYSA-N	314.223	3.202	10	20	DGCD	
CCC[C@@H](CNCc1cccc(Br)c1O)OCC	707865652	SKXIQPBKDMKXBS-LBPRGKRZSA-N	316.239	3.450	10	20	DGCD	
CCNC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1	727092713	XRXQFVQDJYAZLB-UHFFFAOYSA-N	316.788	3.119	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H](c3cccc(F)c3)C1)OCO2	729470265	SLPISSFCCVSDLZ-CYBMUJFWSA-N	315.344	3.250	10	20	DGCD	
CCN(Cc1nnc(C(C)(C)C)o1)c1ccc(OC)c(OC)c1	731667492	SFGJSJRHLMLICN-UHFFFAOYSA-N	319.405	3.411	10	20	DGCD	
COc1ccc(O)c(CNC(=S)N[C@@H](C)c2cccs2)c1	733906426	LRIKQBBCMGISLD-JTQLQIEISA-N	322.455	3.188	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccn2C)cc1	743790098	HFKRKHVVOMQNKN-UHFFFAOYSA-N	307.397	3.363	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@H](C)[C@@H]2CCCOC2)c1O	754566983	NCWLZBDHPMJWMW-ZYHUDNBSSA-N	311.809	3.153	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(C)C[C@H]2c2ccccc2)c1	754727805	QKNJHAWSHFBOCE-IBGZPJMESA-N	310.441	3.498	10	20	DGCD	
Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(Cl)c1	755015374	YKHROUQVRMGCDT-UHFFFAOYSA-N	320.776	3.424	10	20	DGCD	
C[C@H](NCc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1O	756456377	MNGJHDDPLRVULE-VIFPVBQESA-N	308.284	3.429	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2cnn(-c3ccccn3)c2)c1	756856840	LRBLGLIBFKEQMX-LBPRGKRZSA-N	310.357	3.155	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2ccc3c(c2)C(=O)NCC3)c(O)c1C	757613427	RPFKDZJAJZGCPV-CYBMUJFWSA-N	310.397	3.468	10	20	DGCD	
O=C1Nc2ccccc2C12CCC(NCc1ccccc1O)CC2	765626483	OBJZJTGFSZHJAW-UHFFFAOYSA-N	322.408	3.315	10	20	DGCD	
CC[C@H](N[C@@H](C)[C@H](CO)SC)c1cc(Cl)ccc1O	775509396	LILXHFJPTWIXHS-WFBYXXMGSA-N	303.855	3.199	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)cc1	776693100	SJTBYFVMHBVXIG-FQEVSTJZSA-N	310.441	3.196	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cc(Cl)ccc1O	779431908	HSINHZKJUAZGPX-CZUORRHYSA-N	311.809	3.257	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)[C@@H]3CCCOC3)CC2)cc1	780726148	XDWHOAOAQYPEMZ-JKSUJKDBSA-N	318.461	3.069	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H]1CCCOC1	780861660	UFSMYTKYDOVCSI-HOCLYGCPSA-N	320.433	3.129	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]([C@@H](C)O)C2)cc1F	780892552	LIIIWFFRTVURPZ-GDBMZVCRSA-N	308.441	3.265	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCc1cnc2n1CCCC2	793620880	RXHYSTSKEBPCGB-UHFFFAOYSA-N	309.772	3.007	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccc(N(C)C)cc1	793857227	TXCBJVODGULNPB-KZULUSFZSA-N	312.388	3.409	10	20	DGCD	
CNC(=O)Nc1cc(N[C@H](C)c2ccccc2O)ccc1F	797056623	OYZSSVCJVKEVTB-SNVBAGLBSA-N	303.337	3.456	10	20	DGCD	
CC1(C)CCC(=O)N1CN1CCCc2cc(OC(F)F)ccc21	808174862	PKZFDKJCUDKKKQ-UHFFFAOYSA-N	324.371	3.399	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC2(C(F)F)CCCC2)cc1	808497458	PMCMXMRXRGLNFY-UHFFFAOYSA-N	311.376	3.130	10	20	DGCD	
CC1(C)CN(Cc2c(O)ccc3ccncc23)[C@H]1[C@H]1CCCO1	811776214	LHYWBKQGNGBFRA-MSOLQXFVSA-N	312.413	3.330	10	20	DGCD	
Oc1cc2c(cc1CNC[C@H](c1ccccc1)C1CC1)OCO2	814299188	QQNVPQQKSVMAGD-MRXNPFEDSA-N	311.381	3.404	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1	815118808	MEZKCOCZNUQXLS-KRWDZBQOSA-N	318.852	3.440	10	20	DGCD	
C[C@@H](N[C@@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1O	815620210	KKVCTNYBXVFGKK-HTQZYQBOSA-N	313.266	3.078	10	20	DGCD	
Cc1ccc([C@@H](O)CNCc2cc(Cl)c(F)cc2O)cc1	816537551	ITUMSDBHHWZWQM-INIZCTEOSA-N	309.768	3.316	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1C[C@@H](O)Cc2ccccc21	816594271	WJTVEIWDIKARSN-LBPRGKRZSA-N	307.752	3.108	10	20	DGCD	
CN1CCC[C@]2(CCN(Cc3cc(Cl)c(F)cc3O)C2)C1	816641818	HGJZSUWQHPLVRW-INIZCTEOSA-N	312.816	3.102	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCc2cccnc21	816866649	ULDCKSALJQOJBG-GOSISDBHSA-N	321.424	3.028	10	20	DGCD	
COc1ccc(CNC(C)(C)c2cn(C(C)C)nn2)cc1C	817420489	UBTRSRMTJCHVOY-UHFFFAOYSA-N	302.422	3.201	10	20	DGCD	
Cc1cc(NCc2ccc(N3CCOCC3)cc2)nn1C(C)C	817710364	LXODCUREEAIRQQ-UHFFFAOYSA-N	314.433	3.221	10	20	DGCD	
CC[C@H](NC[C@H]1CCCN1)c1ccc(Cl)c(Cl)c1O	817952637	RYNBLUBQXZHACU-SKDRFNHKSA-N	303.233	3.492	10	20	DGCD	
CCCNCCN[C@H](CC)c1cc(Br)ccc1O	817961883	FTJDKOIXXBDMOJ-CYBMUJFWSA-N	315.255	3.195	10	20	DGCD	
COc1ccc(O)c(CNC[C@@H]2CSc3ccccc32)c1	824483252	KLRSMNUTYLPXDW-CYBMUJFWSA-N	301.411	3.380	10	20	DGCD	
CCCNC(=O)[C@H]1CCCN(Cc2cc(Cl)c(C)cc2O)C1	824650474	QJOGJQSJGWVSPV-ZDUSSCGKSA-N	324.852	3.092	10	20	DGCD	
CC(C)n1cc(C2=CCCN(Cc3ccccc3O)CC2)nn1	824738611	OVQDHLIYNJDERW-UHFFFAOYSA-N	312.417	3.244	10	20	DGCD	
CC[C@@](C)(CNC(=O)c1cc(C)n(-c2ccccn2)c1C)OC	833798803	FSEBMBRQOYPSKD-SFHVURJKSA-N	315.417	3.034	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1scnc1C)CCC2	839656382	ZPZQDZMNVBOWTC-UHFFFAOYSA-N	304.415	3.422	10	20	DGCD	
Nc1ccc(CCNCc2ccc(OCC(F)F)cc2)cc1	841036477	SLTODRNWKYRGNT-UHFFFAOYSA-N	306.356	3.245	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cc(Cl)cs2)cc1	841044057	UPLLPVDGAZQPIW-OAHLLOKOSA-N	309.866	3.257	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@]2(C)CCCNC2)cc1F	841057555	PIRWDGUCZSRKAR-SFHVURJKSA-N	307.457	3.151	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1	841302212	PNJOLFBQUDWHMG-UHFFFAOYSA-N	323.396	3.396	10	20	DGCD	
CCn1cncc1CNCc1cc(Cl)cc(Cl)c1O	841887528	MXOVGIJWRMVNBQ-UHFFFAOYSA-N	300.189	3.205	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]([C@H]3CCCNC3)C2)cc1F	843127461	REZKLNYHIVVWPN-IRXDYDNUSA-N	319.468	3.103	10	20	DGCD	
O=S(=O)(CCC1CCCC1)NCc1cc(Cl)ccc1O	845996393	PGRPLDSKYSYAIL-UHFFFAOYSA-N	317.838	3.045	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](C)c2c(C)noc2C)c1O	846158160	UEOLTCAMNOIGOM-MNOVXSKESA-N	304.390	3.460	10	20	DGCD	
CCc1cccc(CNc2ccc([S@](C)=O)c(F)c2)c1O	848890734	KWTFSVZZXFXLCR-NRFANRHFSA-N	307.390	3.443	10	20	DGCD	
COc1cc(CNCC2CCOCC2)c(O)c(C(C)(C)C)c1	850101934	WVTCHLJATBWBHE-UHFFFAOYSA-N	307.434	3.215	10	20	DGCD	
COc1cc(CNC[C@@]2(O)CCC[C@@H]2C)c(O)c(C(C)(C)C)c1	850311717	ZJWVGISVZVBLDO-DJJJIMSYSA-N	321.461	3.339	10	20	DGCD	
COc1ccc(CNCC2CCN(CC3CC3)CC2)cc1C	850421562	YMNCQAUDQCINPS-UHFFFAOYSA-N	302.462	3.215	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)ccc1O	857473205	UHXQJDLBMJKUTP-UHFFFAOYSA-N	315.344	3.046	10	20	DGCD	
CN(C)c1cc(F)c(CNCC[C@]2(O)C[C@H]3CC[C@H]2C3)cc1F	858167762	YBUOHLJDIKHTJB-YEWDVWPNSA-N	324.415	3.062	10	20	DGCD	
C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C)c1ccc(N)cc1	863557062	HJRJMQHRBPEALY-CYBMUJFWSA-N	315.392	3.064	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC2CCC(OC(C)C)CC2)c1	875413252	OAXCYESICZBDIW-UHFFFAOYSA-N	320.433	3.236	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2c(C)cccc2O)C1	876658286	RRQAOKASFWLAEY-HOTGVXAUSA-N	318.461	3.217	10	20	DGCD	
COc1ccc(CN[C@@H]2CCC[C@@H](SC)C2)c(O)c1OC	892949700	CANFCBCAKYTBBK-CHWSQXEVSA-N	311.447	3.173	10	20	DGCD	
Cc1nccnc1N(C)C(=O)/C=C\c1cnc(C(C)(C)C)s1	893287623	OXJJVVPIWAIEFR-SREVYHEPSA-N	316.430	3.215	10	20	DGCD	
O=C1/C(=C\c2cccc3c2OCC3)SC(=S)N1C1CCC1	899260328	CTWMBUSDUFUIBN-UKTHLTGXSA-N	317.435	3.375	10	20	DGCD	
Cc1ccc(O)cc1C(=O)NCCCSc1nccs1	900683901	SQHQKYVJCOYVFM-UHFFFAOYSA-N	308.428	3.069	10	20	DGCD	
Cc1nn(C)c(CNCCCSc2nccs2)c1Cl	921754854	ODGYRGNRWUZKFH-UHFFFAOYSA-N	316.883	3.110	10	20	DGCD	
Cc1cc([C@](C)(O)CNCc2ccc3c(c2)CCCO3)c(C)o1	921776311	RYXLMWXUOLBURT-LJQANCHMSA-N	315.413	3.219	10	20	DGCD	
COc1ccnc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c1	924862636	QWYJRDQAJCGKLM-GFCCVEGCSA-N	303.381	3.146	10	20	DGCD	
CC[C@@H](NCCC(C)(C)N)c1cc(Br)ccc1O	925739586	ZPJSHHWOEFKTFI-GFCCVEGCSA-N	315.255	3.323	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ncnn1C(C)(C)C	1321374417	ZWUINKOVNVTKRH-CHWSQXEVSA-N	314.433	3.385	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCCO1	119017587	IBDHKVQBWPAJEF-SFHVURJKSA-N	316.445	3.204	10	20	DGCD	
CCOC[C@@H]1CCN(Cc2c(O)ccc3ccc(OC)cc23)C1	177628741	GSOAGVPKABOADR-CQSZACIVSA-N	315.413	3.412	10	20	DGCD	
Cc1cnc(NC(=O)NCCCSc2nccs2)s1	115633189	XVOPODKXTTXSLZ-UHFFFAOYSA-N	314.461	3.212	10	20	DGCD	
CN(Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1O	111235743	OXQRNJPSUHQNAC-UHFFFAOYSA-N	313.332	3.213	10	20	DGCD	
CN1CCC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1	68722631	UGKDTUOAGZMADX-GOSISDBHSA-N	301.478	3.108	10	20	DGCD	
Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1	61077560	YKSDKDWEWISLKG-OAHLLOKOSA-N	312.413	3.145	10	20	DGCD	
CCN(C)C[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	173496096	ANFHAZLQCXBICR-CQSZACIVSA-N	320.477	3.169	10	20	DGCD	
CC(=O)Nc1cccc(OCCN[C@@H](C)c2ccccc2O)c1	183595254	OYEZOQKHTNZFOH-ZDUSSCGKSA-N	314.385	3.080	10	20	DGCD	
Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1[N+](=O)[O-]	183599806	WYYBFANGJWOCFN-NSHDSACASA-N	302.330	3.358	10	20	DGCD	
CC[C@H](C)[C@@](C)(O)CNC1CCN(c2ccc(OC)cc2)CC1	305138075	PECSVNLIMCZPNM-KXBFYZLASA-N	320.477	3.051	10	20	DGCD	
Oc1c(Cl)cccc1CNc1ccc(OC2COC2)cc1	188850576	GVYLMWBNLZCHLI-UHFFFAOYSA-N	305.761	3.435	10	20	DGCD	
COc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(C)cc1O)C2	185334750	BHRHPJRVPOOGAD-HIFRSBDPSA-N	313.397	3.364	10	20	DGCD	
CN(Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1Cl	187246091	AGHQOGBFKGJNPP-MRXNPFEDSA-N	309.768	3.350	10	20	DGCD	
CCOc1cccc(CN[C@H]2CCCO[C@H]2CC(C)C)c1O	185199623	JLHHUBXJCMIHFB-RDJZCZTQSA-N	307.434	3.474	10	20	DGCD	
Cc1ncc([C@H](C)NCc2ccc3c(c2)CCCN3C)c(C)n1	122927043	XJNDNTRVSRXGIL-ZDUSSCGKSA-N	310.445	3.327	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)OCC	187610746	QPJLQVVTZLVKIZ-UHFFFAOYSA-N	308.422	3.129	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2c(F)cccc2F)c1	88360162	GXTPOXIBNXVGOC-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1	323778019	ZJLOOBHHCLWESZ-AJKRIUKHSA-N	316.357	3.319	10	20	DGCD	
O=C(CCC(F)(F)F)NCc1ccc(N2CCCC2)cc1	266251565	JXKNNXJDFXMAQJ-UHFFFAOYSA-N	300.324	3.246	10	20	DGCD	
CCCOc1ccc(CNCC2CCN(C3CC3)CC2)c(O)c1	278463882	FRXAJQAXCFGGJQ-UHFFFAOYSA-N	318.461	3.145	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCc3nc(C)ncc3C2)cc1	370671055	LQROBLJEFYMQQX-KSSFIOAISA-N	324.472	3.449	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCC1CCOCC1	281097871	BFFKNLYBGFQDJM-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CC[C@@H](NCc1ncccc1N(C)C)c1ccc(F)cc1O	289749763	LAVSRYCRNVMLPD-CQSZACIVSA-N	303.381	3.233	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CCOC	283542403	DDCHDYICMJJDBP-CQSZACIVSA-N	308.422	3.129	10	20	DGCD	
CC[C@H](NCCCNc1ncccn1)c1cccc(Cl)c1O	806143628	LTBIPQSEYMQJIM-AWEZNQCLSA-N	320.824	3.379	10	20	DGCD	
Cc1c(CN[C@@H](Cn2cccn2)C(C)C)n(C)c2ccccc12	569462190	XSFXNHQCEJTQQL-KRWDZBQOSA-N	310.445	3.498	10	20	DGCD	
Cc1cc(Cn2cccc(C(F)(F)F)c2=O)ccc1N(C)C	292554223	CJGNVOKWDBCPLT-UHFFFAOYSA-N	310.319	3.290	10	20	DGCD	
COc1ccc([C@@H](C)NCCc2ccc(N)cc2)c(C)c1OC	817957439	MEIYFWKQEJWEBE-CQSZACIVSA-N	314.429	3.488	10	20	DGCD	
CC(C)[C@@H](NCc1ccc(N(C)C)c(F)c1)C1(CO)CCC1	814169601	JWKNBEPTJGAMRY-QGZVFWFLSA-N	308.441	3.169	10	20	DGCD	
C[C@@H](NC[C@]1(C)CCCNC1)c1cc2c(cc1O)CCCC2	817965668	BQRHIQSZRXCSAI-AUUYWEPGSA-N	302.462	3.311	10	20	DGCD	
CCCCn1cc(C(=O)N[C@H](C)c2ccccc2O)c(C)n1	827941497	SONHTFGVWXGOGH-GFCCVEGCSA-N	301.390	3.188	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCC3(SC)CCC3)C2)cc1	822494065	FMYHFKDCOXHHFJ-HNNXBMFYSA-N	320.502	3.397	10	20	DGCD	
Cc1cc(-c2nc(N(C)C)no2)c(C)n1-c1ccc(F)cc1	904660540	BZIFIWZILRBCEL-UHFFFAOYSA-N	300.337	3.349	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(CCCN[C@@H]2CCc3cccc(O)c32)C1	834514391	VNTAHDLHLWMFMZ-HLLBOEOZSA-N	302.462	3.337	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCC2(N)CCC2)c1C	831554327	GWNCKSROJGFTTH-UHFFFAOYSA-N	311.429	3.014	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cc(C)ccc1[N+](=O)[O-]	830394598	IRCFTSCSZOFDOX-UHFFFAOYSA-N	305.286	3.336	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1C[C@H](C)[C@@H](C)C1=O	839969695	LTGUHWGPDUAFAO-JKSUJKDBSA-N	317.477	3.035	10	20	DGCD	
C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H]1c1ccccc1	841955224	WGSGGBQDHLYVPP-KBXCAEBGSA-N	309.413	3.214	10	20	DGCD	
Cc1cc(C(=O)CSCCO)c(C)n1-c1ccc(Cl)cn1	842023899	JGOJGLDUUAPBNO-UHFFFAOYSA-N	324.833	3.051	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1ccn(C)n1	840895038	UXDAOZGPAHJPGV-LSDHHAIUSA-N	300.450	3.076	10	20	DGCD	
CCc1cccc(CNC[C@H](c2ccnn2C)C(C)C)c1O	848907017	ZTGULPLAAPRBCW-INIZCTEOSA-N	301.434	3.218	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C/c1cccnc1	840558562	ZDMFWENYXJBESV-JCVNQNCUSA-N	323.440	3.217	10	20	DGCD	
CC[C@H]1CCCCN1C(=O)CN(CC)c1ccc(OC)cc1	746109249	NHVIVWIPQLTZDD-HNNXBMFYSA-N	304.434	3.313	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@H](O)c1ccc(F)cc1	840934764	XCGBHNBXCRDVMF-LIRRHRJNSA-N	316.420	3.412	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3CO[C@H](C)C3)c2C)c1	844104400	DKGJDMDBZCHWHW-GDBMZVCRSA-N	312.413	3.310	10	20	DGCD	
C[C@H]1C[C@H]1c1noc(-c2csc(Cc3ccc(N)cc3)n2)n1	843189734	CBIAYQJNLOERKX-JOYOIKCWSA-N	312.398	3.490	10	20	DGCD	
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCCO)cc1	921447440	IOFWNTKKGUCVLW-UHFFFAOYSA-N	313.357	3.317	10	20	DGCD	
C[C@@H](CCO)N[C@H](C)c1cc(Br)cc(Cl)c1O	756592392	HYOCRAZIHIYRFN-JGVFFNPUSA-N	322.630	3.230	10	20	DGCD	
CC(C)C[C@H](CNCc1ccc(N(C)C)c(F)c1)CC(=O)O	854244067	OCIWEOOWLXWPEE-AWEZNQCLSA-N	310.413	3.118	10	20	DGCD	
C[C@H](NC(=O)N(C)CC1=CCSC1)c1ccc(N(C)C)cc1	852262096	YSJNHBNJFHJSEI-ZDUSSCGKSA-N	319.474	3.128	10	20	DGCD	
COc1ccc(O)c(CN[C@H]2CCc3cc(OC)ccc3C2)c1	753574963	GUXVVBSTOQUIAT-INIZCTEOSA-N	313.397	3.057	10	20	DGCD	
C[C@H](N[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccccc1O	854225181	YAGFIJNOUIIPDW-MORSLUCNSA-N	314.404	3.328	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)C1(CO)CC1	850516016	JRWHKVRGMLHTQK-CVEARBPZSA-N	302.462	3.489	10	20	DGCD	
CCOc1ccc(CN2CCOC3(CCCCC3)C2)c(O)c1	769492301	IXJLEBJOSWAJNC-UHFFFAOYSA-N	305.418	3.326	10	20	DGCD	
COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1	779605425	SDTCSLUYLCZJAL-INIZCTEOSA-N	318.461	3.164	10	20	DGCD	
Cc1cnc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	773324322	HUJQTYAQLXTJFQ-LBPRGKRZSA-N	318.446	3.078	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(N2CCCC2)c1	779479652	MGSPOZPQUXDLLI-CLFYSBASSA-N	324.380	3.350	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H](N3CCCCC3)C2)cc1	773757559	PWNNIACGFJQMGG-IBGZPJMESA-N	301.478	3.203	10	20	DGCD	
COc1cccc(CCNCc2c(C)cccc2O)c1OC	876946640	NHWUIZRTXMGYGE-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NOC2CCCCC2)c1	777718313	XRZWOOWTVRWKGO-NSHDSACASA-N	308.378	3.025	10	20	DGCD	
COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C	787420681	KNMLHKLBSPVIPU-KCJUWKMLSA-N	318.200	3.082	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2cnccc2C)c1O	783003114	XQJWXTPDBAGSBO-NSHDSACASA-N	302.349	3.288	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CCS[C@@H]3C)CC2)cc1	783609565	YONGFBHTSSGGDQ-CXAGYDPISA-N	306.475	3.148	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cccc(Br)c2O)CS1	397957502	ZVAHSWBVYLVEAB-SCZZXKLOSA-N	302.237	3.138	10	20	DGCD	
CC[C@@H](C)[C@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1	793245223	KFPNELJLELJIHU-PBHICJAKSA-N	306.450	3.162	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCN(Cc2ccco2)CC1	792156454	GPLAAZUCHBQHFL-UHFFFAOYSA-N	324.783	3.096	10	20	DGCD	
C[C@H]1CCC[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1	798512238	GCEPPNLVRWKPRR-GOEBONIOSA-N	303.450	3.330	10	20	DGCD	
CC[C@H](NCCN(C)CC(F)(F)F)c1ccc(F)cc1O	796765489	ZQLGCKHQKJRYGE-LBPRGKRZSA-N	308.319	3.066	10	20	DGCD	
CCN(CC)c1ccc(CNC(=S)NCC2CCC2)cc1F	1327152871	JMRMETUWZYEJNK-UHFFFAOYSA-N	323.481	3.436	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H](C)[S@@]1=O	1323981255	LDIYOIIELUWXLT-REDKUUPNSA-N	320.502	3.018	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](O)CSc1ncc(C(=O)O)s1	1609808339	XAKTZTBVDBRDEY-MWLCHTKSSA-N	309.412	3.098	10	20	DGCD	
C[C@H](C(=O)O)c1cccc(NCc2cc(F)cc(F)c2O)c1	1589532704	UVUYMFBHHHVQBL-VIFPVBQESA-N	307.296	3.471	10	20	DGCD	
CCOc1ccc(N(CC)Cc2cncc(C(=O)O)c2)cc1	1597105385	FYNQMUJBNHGUGB-UHFFFAOYSA-N	300.358	3.205	10	20	DGCD	
C[C@@H]1CN(Cc2c(O)ccc3oc4c(c23)CCCC4)CCO1	54445731	YOOKOEKEAPAUIC-GFCCVEGCSA-N	301.386	3.238	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cccnc3Cl)ccc21	58768496	JNKMRWXBXNLBCP-UHFFFAOYSA-N	315.804	3.047	10	20	DGCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)C1CCCCC1	66575551	XIATZTYNDIZOFZ-UHFFFAOYSA-N	322.474	3.039	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(N(C)C)cc1	93360037	XMCZHKVGUFZCJW-AWEZNQCLSA-N	321.465	3.098	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1	152671627	JMQMECZHDOQPJF-UHFFFAOYSA-N	320.732	3.226	10	20	DGCD	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Cc1ccc(N)cc1	159800142	WMLROQMBRVZIOU-CZUORRHYSA-N	312.388	3.355	10	20	DGCD	
COc1ccc(COCCN[C@H](C)c2ccccc2O)cc1	179879835	PYFWMVNFRIRTGW-CQSZACIVSA-N	301.386	3.268	10	20	DGCD	
CC(C)(C)OC(=O)NC1CCC(NCc2ccccc2O)CC1	219216766	ITUDBURAHQPECU-UHFFFAOYSA-N	320.433	3.318	10	20	DGCD	
COC(=O)c1ccoc1COc1ccc(N2CCCC2)cc1	267468669	VIIUVWBPGWRMIF-UHFFFAOYSA-N	301.342	3.245	10	20	DGCD	
COc1cccc(CN[C@H](C)[C@H](OC)c2ccc(F)cc2)c1O	271331575	FQGDJBSWUDWAKD-XIKOKIGWSA-N	319.376	3.406	10	20	DGCD	
CC(C)[C@H]1C[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCO1	273546796	ZODGCKSHKKJVGY-HWWQOWPSSA-N	308.378	3.155	10	20	DGCD	
CC[C@H](N[C@H](C)c1ccc(F)c(F)c1O)[C@H](O)C(F)(F)F	276912644	LANINZNLCJTYNB-ZIGWGHGNSA-N	313.266	3.023	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2CC[C@H](O)C2)c(C(F)(F)F)c1	280631221	QKGWDFKBAAEHNV-RISCZKNCSA-N	316.367	3.022	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1C	284973617	BGVXZOLHVVJXAO-OAHLLOKOSA-N	317.351	3.288	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2ncnn2-c2ccccc2)c(O)c1	285159595	MMPVVEXHFGHOKS-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
COCc1nc(C)cc(N[C@H](C)c2ccc(N(C)C)cc2)n1	302477946	XOOFWRDBJPOFSZ-CYBMUJFWSA-N	300.406	3.171	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)c2ccc(F)cc2F)c1	305767941	IHBJKBGYBRQLOR-QGHHPUGFSA-N	323.339	3.063	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1ccco1	363096452	SSWYWXLNSUBDCC-IAGOWNOFSA-N	312.413	3.498	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCCOCC3)c2C)c1	363126467	ITPXXCMSQNRFLF-UHFFFAOYSA-N	312.413	3.265	10	20	DGCD	
Cc1cc(F)cc(C(=O)NCc2ccc(N(C)C)cc2C)c1	742685162	YIZXWQHXUHPTBL-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
COC(=O)[C@H](CC1CCCCC1)NCc1cc(F)ccc1O	756146580	KLNGTLZGYLYSHV-HNNXBMFYSA-N	309.381	3.133	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1COc2ccccc21)c1ccc(N(C)C)cc1	773015007	MXQYWGGQNLKQLO-DYVFJYSZSA-N	310.397	3.106	10	20	DGCD	
C[C@H](N(C)Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C	775654009	RCRYVPFCDVDBKG-INIZCTEOSA-N	303.494	3.305	10	20	DGCD	
C[C@H](N(C)Cc1ccc(N2CCN(C)CC2)cc1)C1(C)CC1	775736378	RWJGKAXFIIKAPG-INIZCTEOSA-N	301.478	3.059	10	20	DGCD	
O=C(Cc1ccoc1)Nc1c(-c2ccccn2)nc2ccccn12	776328105	YNYGUMZVUMVASL-UHFFFAOYSA-N	318.336	3.171	10	20	DGCD	
C[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1	776339900	RDCSYQVMZYITJE-GOEBONIOSA-N	318.486	3.292	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1cccs1)C1CC1	779492072	BJYREFZSGNLDEN-LYLYKKCESA-N	315.394	3.440	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCC2(CCCCC2)CC1	789974861	VHWCMRITVFPKIR-UHFFFAOYSA-N	307.365	3.423	10	20	DGCD	
CC(C)[C@H]1C[C@H](NCc2c(O)ccc(Cl)c2F)CCO1	790982732	XNACOSFLAXEYFG-QMTHXVAHSA-N	301.789	3.478	10	20	DGCD	
CN(C)c1ccc(CNC2(CO)CCCC2)c(C(F)(F)F)c1	793048860	VLJPPILOJWLOEH-UHFFFAOYSA-N	316.367	3.166	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(Cl)c(C)c2)c(O)c1	794386790	AMHIQPFBFBVSAE-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)C1CCOCC1	794883804	XKGNABNZUQODES-UHFFFAOYSA-N	318.461	3.164	10	20	DGCD	
c1ccc(CN2CCc3cc(CNCCN4CCC4)ccc32)cc1	796339029	SPHXOMYKTILNQX-UHFFFAOYSA-N	321.468	3.045	10	20	DGCD	
COc1ccnc(NCc2cc(Cl)cc(Cl)c2O)n1	808088757	BJHDKWCPKSYDQQ-UHFFFAOYSA-N	300.145	3.110	10	20	DGCD	
CC[C@H](NCC(F)(F)CO)c1ccc(C(F)(F)F)cc1O	810237793	WGSXFZFHQGEQJN-JTQLQIEISA-N	313.266	3.079	10	20	DGCD	
Cc1ccccc1[C@@H](CO)NCc1cc(Cl)c(F)cc1O	816555911	UANMBPZRSRJQBU-OAHLLOKOSA-N	309.768	3.316	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1C[C@]2(CCCO2)[C@H]1C1CC1	816666482	OHZWKLQTLVFERK-HZPDHXFCSA-N	311.784	3.328	10	20	DGCD	
C[C@H](NCCNC1CCCCCC1)c1cc([N+](=O)[O-])ccc1O	817960274	LKSYOFCUVNGVBQ-ZDUSSCGKSA-N	321.421	3.263	10	20	DGCD	
CCN[C@H](C)CN[C@H](C)c1cc(Br)cc(C)c1O	817973493	UNXRLWGOTUYSHZ-GHMZBOCLSA-N	315.255	3.112	10	20	DGCD	
C/C(=C\C(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1	824676228	GJLPXXCGCKCORN-SDNWHVSQSA-N	310.397	3.382	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC12CCSCC2	825873217	IAEWWBGKFNGBJB-MRXNPFEDSA-N	318.486	3.211	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1	832108336	AZDJMONFNXQRMZ-IEBWSBKVSA-N	308.425	3.339	10	20	DGCD	
CCCCCCO[C@H](C)C(=O)NCc1ccc(OC)cc1O	839747546	JPYZGFQUPMSXSX-CYBMUJFWSA-N	309.406	3.002	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCSC1	839922666	XWAQRHMYFGTLMM-HOCLYGCPSA-N	320.502	3.251	10	20	DGCD	
COC(=O)c1cnc(SCCOCC2CCCC2)s1	840210359	XYOLKXKMIMDNOK-UHFFFAOYSA-N	301.433	3.229	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](CN(C)CC2CC2)C1	840916231	HZNZKGKOIQEKBD-SFHVURJKSA-N	315.505	3.225	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(C)C1C[C@@H]2CC[C@H](C1)N2C	840947497	WQQVIELZICYLED-DFNIBXOVSA-N	301.478	3.118	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)N)c(C)n1-c1ccc(F)cc1	843506572	ZELXKPIMRQWLQZ-NEPJUHHUSA-N	317.408	3.089	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c1O	845385823	ROFVTSLXJXMXMF-QWHCGFSZSA-N	306.406	3.025	10	20	DGCD	
CCc1cccc(CNC[C@H]2CCCN(CC(C)C)C2)c1O	848900137	YALULSJFLXEKCA-MRXNPFEDSA-N	304.478	3.412	10	20	DGCD	
CCc1cccc(CN[C@@H]2COc3cc(F)cc(F)c32)c1O	848902077	JPNQAMZADXQKSB-CQSZACIVSA-N	305.324	3.456	10	20	DGCD	
COC1CCN(c2ccc(CN3CC[C@@H]4C[C@H]4C3)cc2)CC1	852634133	KQBNJTHCRKNLIO-SJORKVTESA-N	300.446	3.144	10	20	DGCD	
CCN(CC(=O)N[C@H](C)c1ccccc1)c1ccc(OC)cc1	859176491	VSGMVRSAAWXUOA-OAHLLOKOSA-N	312.413	3.399	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cnn([C@H](C)C3CC3)c2)c1	860978523	MXWZHZITVHLSND-GFCCVEGCSA-N	314.389	3.190	10	20	DGCD	
C[C@H](CC(C)(C)NCc1cc(F)c(N(C)C)cc1F)C(=O)O	864513993	MNCUQDJMYRIJDW-SNVBAGLBSA-N	314.376	3.010	10	20	DGCD	
Cc1nn(C(C)C)c(C)c1CNCc1ccc(N(C)C)cc1	892474744	AIUGBXVWSWELIJ-UHFFFAOYSA-N	300.450	3.437	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1sc(C)nc1C	896056108	BVACMOUDSWWMFW-UHFFFAOYSA-N	318.442	3.447	10	20	DGCD	
Nc1ccc(NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1	911659848	FQHBLCHJZGJCCJ-RYUDHWBXSA-N	302.296	3.097	10	20	DGCD	
O=C(O)CCN(Cc1ccc(F)c(F)c1)Cc1ccccc1O	1608721869	CLZQDLFPDXRMQH-UHFFFAOYSA-N	321.323	3.147	10	20	DGCD	
CCN1CCCc2cc(CN[C@]3(C(=O)O)CCC[C@H]3C)ccc21	1776876037	NVPCLCALWAXZKS-AUUYWEPGSA-N	316.445	3.192	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCCOC2)cc1	55920235	MQONVMYNQIZWTP-MRXNPFEDSA-N	312.413	3.251	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)OCCO2)c1cc(F)ccc1O	176981005	JMXKRMGSFOECBI-NSHDSACASA-N	303.333	3.153	10	20	DGCD	
Cc1cccc(C)c1NC(=O)CN(C)Cc1cc(F)ccc1O	179884631	UYXFABODXBYBEE-UHFFFAOYSA-N	316.376	3.219	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(Cc3cccs3)CC2)c1	119904156	LRKLKHBLSGPQAY-UHFFFAOYSA-N	302.443	3.080	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)CSC)cc1F	66841420	DTPHBVJATPGAEZ-LBPRGKRZSA-N	312.454	3.287	10	20	DGCD	
CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1O	111236013	NYEDJDIQCFYNBJ-UHFFFAOYSA-N	316.357	3.201	10	20	DGCD	
COc1ccc(NC(=O)NCc2cc(OC)ccc2O)c(C)c1	114576571	UAPCYMGFMTVAFM-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)C3CCC3)CC2)cc1	1348039136	SWELALUCIKHQGS-OAHLLOKOSA-N	316.445	3.170	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)c3nc[nH]n3)c2C)c1	176210652	XPQKEZRDYVFNCV-CYBMUJFWSA-N	323.400	3.012	10	20	DGCD	
COC[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1O	307764782	NSXJDAMYHGQMLV-CQSZACIVSA-N	311.809	3.249	10	20	DGCD	
CC[C@@H](C)[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	182370226	UMRLELCZKKBZPK-CABCVRRESA-N	304.434	3.026	10	20	DGCD	
O=C1CCCC(=O)N1Cc1ccc(NCc2ccccc2O)cc1	184814131	SUUZYXZWLZWUSD-UHFFFAOYSA-N	324.380	3.043	10	20	DGCD	
c1cc2c(o1)CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1	120781689	GNQRHMABUMRBPU-SFHVURJKSA-N	312.413	3.283	10	20	DGCD	
CC[C@H](NCC(C)(C)CO)c1cc(Br)ccc1O	122009149	YSYDZSABVAPEQI-LBPRGKRZSA-N	316.239	3.214	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)ccc1O	182475714	CCLHKGZDYPROIU-UHFFFAOYSA-N	321.398	3.289	10	20	DGCD	
O=C1CCCCN1C1CCN(Cc2cccc(Cl)c2O)CC1	180522682	LDVOLAJTLUPHJV-UHFFFAOYSA-N	322.836	3.023	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc([N+](=O)[O-])s1	180708531	ODCNCBRNHMDEQN-NTMALXAHSA-N	323.399	3.113	10	20	DGCD	
C[C@H](N[C@H](C)C[S@](C)=O)c1ccc(Cl)c(Cl)c1O	186541218	VYZVAWLCCSCRKI-MPSDLYAZSA-N	310.246	3.117	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(N2CCCCC2)cc1)C1CC1	91772997	CNDNPAYFFKFMIO-UHFFFAOYSA-N	316.445	3.204	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc([C@@H]3CCOC3)c2)cc1	270546066	ZJAYRHNCDPVVAC-GOSISDBHSA-N	324.424	3.187	10	20	DGCD	
CN(C)c1ccc(CN2CCC(C(=O)OC(C)(C)C)CC2)cc1	271147412	IJPSDMHHBSUBTL-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)[C@@H](O)c2cccc(F)c2)c1	273490342	OBSNIAGUIQUWLM-VNBZBWLYSA-N	319.376	3.313	10	20	DGCD	
COCCOc1ccccc1CN[C@@H](C)c1cc(F)ccc1O	273361260	DAPHEMKUTZTQFA-ZDUSSCGKSA-N	319.376	3.407	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)c1ccncc1	273587978	OJKGYCIYYHIGNX-BLLLJJGKSA-N	314.385	3.376	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C2CC2)C(F)(F)F)c1	287231343	GQWXBFYLIZYQLZ-OQPBUACISA-N	317.307	3.170	10	20	DGCD	
COCCCN(Cc1ccncc1)Cc1cccc(C)c1O	289179801	AHFXIOTXMJGICX-UHFFFAOYSA-N	300.402	3.134	10	20	DGCD	
C[C@@H](CCn1cccn1)NCc1cc(Cl)cc(Cl)c1O	809775613	FZWRZCRJUYHMHA-JTQLQIEISA-N	314.216	3.464	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@@H](CO)c2ccccc2)cc1F	295076037	PTSFLDHQIRIICW-SFHVURJKSA-N	302.393	3.057	10	20	DGCD	
OC[C@@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCc2cccc(O)c21	297671381	LAFNGMONCPICRZ-CRAIPNDOSA-N	322.408	3.054	10	20	DGCD	
O[C@@H](CNc1ccccc1OCC(F)F)COc1ccccc1	819460129	FDXTZQYUMIMVJS-ZDUSSCGKSA-N	323.339	3.182	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)C3=CCCCC3)C2)cc1	819589466	RHZDXXGDVDBNKU-HNNXBMFYSA-N	314.429	3.138	10	20	DGCD	
C[C@@H](N[C@@H]1CC12CCNCC2)c1ccc(N2CCCCC2)cc1	817976368	KRVAEWKAZOTSGJ-VQIMIIECSA-N	313.489	3.470	10	20	DGCD	
Cc1ccc(C(=O)OCCO[C@@H]2CCCC[C@H]2C)c(O)c1O	727004060	MBUFOYVZWIXESH-BXUZGUMPSA-N	308.374	3.158	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1	728985033	VEECFWALNZGPAG-RFGFWPKPSA-N	303.402	3.404	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@H]2CC(C)C)c1	838754097	FGYCPMMJHMIVOB-LALPHHSUSA-N	306.406	3.196	10	20	DGCD	
CCCCN(Cc1cn(C2CC2)nn1)Cc1ccccc1O	906298789	NIYCRVXDRCBREH-UHFFFAOYSA-N	300.406	3.121	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC[C@H]2CCCC[C@H]2C)c1	734067055	GGEJIVQOSKRNOJ-ZIAGYGMSSA-N	320.433	3.416	10	20	DGCD	
COc1ccc([C@H](NC(=O)c2cc(O)cs2)C2CC2)cc1	731868715	QSYXLHCTOGLFES-OAHLLOKOSA-N	303.383	3.343	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CS[C@@H](C)C3)CC2)cc1	840856979	SXGJEFSRLVQKLW-DZGCQCFKSA-N	306.475	3.148	10	20	DGCD	
CCc1cccc(CN[C@@H](c2cccnc2)C(C)(C)CO)c1O	848914110	IGOHGGBPFKYHCL-SFHVURJKSA-N	314.429	3.199	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1O	846155735	CIDGVCYMGYGHQO-MNOVXSKESA-N	304.394	3.054	10	20	DGCD	
COc1cccc([C@H](C)NCC[C@@H](C)N2CCCCC2)c1O	846166096	SENLVUPPUOGSDF-CABCVRRESA-N	306.450	3.316	10	20	DGCD	
Cc1ccc2c(c1)N(C(=O)/C=C/c1cncc(F)c1)C[C@H](C)O2	747896792	XUELAJUPZIJLQM-BPJJOFIESA-N	312.344	3.356	10	20	DGCD	
CC[C@H](N[C@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C	846174861	VATTXWOJJAUFBV-YPMHNXCESA-N	309.406	3.172	10	20	DGCD	
COC(=O)CCC1CCN(Cc2ccc(N(C)C)cc2C)CC1	840918575	VLVOLBOWVIXVAP-UHFFFAOYSA-N	318.461	3.226	10	20	DGCD	
C[C@@H](CO)C1CCN(Cc2cc(Cl)c(F)cc2O)CC1	846058095	LDGHDVOVGYRXJH-JTQLQIEISA-N	301.789	3.025	10	20	DGCD	
CCCOc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1	751535730	TVHMHTRVHXZBSA-UHFFFAOYSA-N	315.369	3.125	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2COc3cc(F)ccc3C2)c(O)c1	850536768	JSUZMWGKBJRRGH-DOMZBBRYSA-N	301.361	3.494	10	20	DGCD	
CCn1cc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)cn1	858173920	JKUBQMHOKWNGAW-LLVKDONJSA-N	308.376	3.098	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2	756545702	ODKXZXFIAFFLHA-CZUORRHYSA-N	300.446	3.158	10	20	DGCD	
COc1ccc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1C	865711815	RCZYLROAGFROEZ-KBPBESRZSA-N	305.340	3.041	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC[C@@H]1CN1CCCCC1	768936948	JCMHGXAASWLBDQ-CQSZACIVSA-N	308.853	3.496	10	20	DGCD	
CCc1ccc(CN(C)c2ccc(OCC(=O)OC)cc2)cc1	864025935	NCJFEXUJRZYXPL-UHFFFAOYSA-N	313.397	3.437	10	20	DGCD	
CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(Cl)ccc1O	769494944	CBEKDRZYYLBGND-HZPDHXFCSA-N	324.852	3.267	10	20	DGCD	
CCN(CC)c1ccc(CN(CCOC)CC(F)F)cc1	769304694	BKIAKJVFEPDNDY-UHFFFAOYSA-N	300.393	3.246	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)N(C)Cc1ccccc1	879649702	SUBRVEJGMGVFDN-HUUCEWRRSA-N	312.413	3.090	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2nccs2)C2CC2)cc1	770190761	XPYLPFQABGPPIP-UHFFFAOYSA-N	301.415	3.014	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NOC2CCCCC2)c1	777718312	XRZWOOWTVRWKGO-LLVKDONJSA-N	308.378	3.025	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	894793797	IWQQSMGBEFODSE-HOCLYGCPSA-N	309.356	3.204	10	20	DGCD	
C[C@H](NCCCCO)c1cc(Br)cc(Cl)c1O	786940958	MAMKKEUNRKFILQ-QMMMGPOBSA-N	322.630	3.231	10	20	DGCD	
COc1cc(C)cc(CNCCc2ncc(C)cc2C)c1O	895187148	LDZVMGVPIZPDKU-UHFFFAOYSA-N	300.402	3.053	10	20	DGCD	
COc1cc(Br)cc(CN[C@@H]2CC[C@H](C)C2)c1O	780579102	ZDSLEYZVHPIHME-JOYOIKCWSA-N	314.223	3.442	10	20	DGCD	
C[C@@H](N[C@@H]1CCSC1)c1cc(Br)ccc1O	273519036	SYZUOHXQHNSUMS-PSASIEDQSA-N	302.237	3.311	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](CO)NCc1c(O)ccc(Cl)c1F	790966412	OJGXXLPPQSDWMW-XHDPSFHLSA-N	323.795	3.439	10	20	DGCD	
Cn1nncc1C(=O)Nc1ccc(N=Nc2ccccc2)cc1	798346150	XEABBSBPXYQYEY-UHFFFAOYSA-N	306.329	3.483	10	20	DGCD	
Cc1cccc(NC[C@H]2CCCN2Cc2cc(F)ccc2O)n1	1320161983	UVJUBZZVALQOAB-MRXNPFEDSA-N	315.392	3.311	10	20	DGCD	
CC(C)c1cc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)on1	1591931552	VFEXLPUYYBJCMP-JTQLQIEISA-N	304.346	3.053	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CC(=O)O)C(C)(C)C)c(C)c1	1776857144	RKJNAIYELDNCLB-INIZCTEOSA-N	306.450	3.430	10	20	DGCD	
CCCOc1ccc(CN2CC[C@H]3[C@H](CCCN3C)C2)c(O)c1	156096244	AKBBALXAMRFFSH-QAPCUYQASA-N	318.461	3.097	10	20	DGCD	
CC[C@@H]1C[C@H](NCc2cccc(Br)c2O)CCO1	824291788	HLDSLNMSYVTDND-VXGBXAGGSA-N	314.223	3.202	10	20	DGCD	
Oc1cc(Br)ccc1CNC[C@@H]1CCCSC1	701094921	RQHMQQPRMMFARQ-JTQLQIEISA-N	316.264	3.388	10	20	DGCD	
C[C@H](NCc1c(O)cccc1Br)[C@H]1CCCOC1	706808399	LVEZIJANXVGAMG-QWRGUYRKSA-N	314.223	3.059	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN1CC[C@H](CF)C1	715805937	NDXGIUPRXLXJDC-MRVPVSSYSA-N	306.150	3.085	10	20	DGCD	
Cc1cc(C(=O)N(CC(F)F)C2CC2)c(C)n1-c1ccccn1	106833741	ONPYTAIVGUJBNJ-UHFFFAOYSA-N	319.355	3.359	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCC(=O)C3CC3)c2C)c1	179618330	AYBDUMNZKRWVHG-UHFFFAOYSA-N	310.397	3.111	10	20	DGCD	
CCc1ccc(CN(C)C(=O)CSc2nccs2)cc1	60760003	QKCQXGALMHKTLI-UHFFFAOYSA-N	306.456	3.456	10	20	DGCD	
C[C@H](NCC(C)(C)CCO)c1cc(Br)ccc1O	185608480	TVKHUVLDERSZQN-JTQLQIEISA-N	316.239	3.214	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@](C)(O)c2ccsc2)c1	185528966	PYILAMGWWRESSV-ZBEGNZNMSA-N	307.415	3.021	10	20	DGCD	
COc1cccc(CN[C@@H](C)c2cc(F)ccc2O)c1OC	185077217	ZVOQEJFLOTZCAQ-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
COc1cc(CN2C[C@H](C)O[C@H](C)C2)c(O)c(C(C)(C)C)c1	125086083	HMJQXMNJHDKZDO-BETUJISGSA-N	307.434	3.308	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCNC[C@@H]1c1ccccc1	313342528	GFQQOZXIGOLTGD-MRXNPFEDSA-N	302.805	3.192	10	20	DGCD	
C[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1	180586645	MIZUXGAPHCZFJQ-IEZBTEQYSA-N	311.381	3.249	10	20	DGCD	
CN(c1ccc(CNCc2cncn2C)cc1)C1CCCCC1	237056224	PYYRRHCLVRPYPA-UHFFFAOYSA-N	312.461	3.479	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@H](O)c2ccc(Cl)cc2)c1	237048498	SQYNXTXRLXNDGJ-KRWDZBQOSA-N	321.804	3.268	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(OC(C)=O)CC2)cc1	93454143	AZMUVVMXRFWELO-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2conc2C(C)C)c1	528860108	JFWLRAFPCGACHG-SNVBAGLBSA-N	304.346	3.003	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H](OCC3CC3)C2)c1O	364462553	LYTYBVHIRBYMSN-MRXNPFEDSA-N	305.418	3.182	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(Cl)nc2)c1	273435603	WVMQXAIFLNPQFK-JTQLQIEISA-N	320.776	3.078	10	20	DGCD	
O=C1O[C@@H](CN2CCCc3cc(OC(F)F)ccc32)CC12CC2	373012944	JMPZGCFUKZEAOR-CYBMUJFWSA-N	323.339	3.136	10	20	DGCD	
CCOc1cccc(CNc2ccc(OCCCO)cc2)c1O	285532646	PWWZVUOKQGBSAQ-UHFFFAOYSA-N	317.385	3.164	10	20	DGCD	
CN(C)CCN(CCCc1ccccc1)Cc1ccccc1O	809737262	SSDYCXBKJOVBHY-UHFFFAOYSA-N	312.457	3.389	10	20	DGCD	
C[C@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1C(=O)c1cccc(O)c1O	295297021	GSNQRVHDFSRKLB-IVZWLZJFSA-N	317.307	3.289	10	20	DGCD	
O=C1OCc2c(NCc3c(O)ccc(Cl)c3F)cccc21	809791056	HDQQZPKDQJXMCJ-UHFFFAOYSA-N	307.708	3.467	10	20	DGCD	
CCCOc1ccc(CN(C)C2CCC(CO)CC2)c(O)c1	290421536	KSZBXYPTJPSNNS-UHFFFAOYSA-N	307.434	3.164	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)c1ncc(Br)cn1	805749220	WQGUVPNQGAOWHK-ZJUUUORDSA-N	322.206	3.357	10	20	DGCD	
CCn1cnnc1NC(=O)c1cc(C)n(-c2ccccc2C)c1C	803530678	SIAXCSBQJZHKTA-UHFFFAOYSA-N	323.400	3.266	10	20	DGCD	
COc1cccc(CNc2cnc(-c3ccccc3)cn2)c1O	813589764	KIBIMXAOIXCVII-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
COCC1(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)CCOCC1	813875668	QRYJIAHRYGJOGJ-TZMCWYRMSA-N	323.408	3.112	10	20	DGCD	
CS[C@H]1CCN(Cc2cc(C)cc(Br)c2O)C1	824683588	RCWIXHLKKDIDSD-NSHDSACASA-N	316.264	3.400	10	20	DGCD	
CCOCc1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)s1	827952417	RKYCZCDHWBLGIL-SNVBAGLBSA-N	320.414	3.185	10	20	DGCD	
CCCCS[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	729277626	FTQUKJLYDYTAIO-NWDGAFQWSA-N	311.447	3.500	10	20	DGCD	
COc1ccc(N(C)Cc2c(F)cccc2[N+](=O)[O-])cc1OC	728916963	UWPJXQGFKIDCJI-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
CC[C@@H](OC1CCCC1)C(=O)N[C@H](C)c1cc(OC)ccc1O	733362201	IGKOKPWLHZZDKR-SJKOYZFVSA-N	321.417	3.316	10	20	DGCD	
COC1CCN(c2ccc(CN3CCC[C@@H](F)C3)cc2)CC1	902993647	WKCJRUGYXCZGHL-MRXNPFEDSA-N	306.425	3.236	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@H]1CCCN2CCCC[C@H]12	848927256	DHYZRIGEKSNBJK-LSDHHAIUSA-N	312.816	3.291	10	20	DGCD	
CCCC[C@H](CC)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	843299834	XGBHRFMGYAOBLP-WMLDXEAASA-N	305.466	3.085	10	20	DGCD	
CN(C)c1ccc(CN(C[C@@H](O)Cc2ccccc2)C2CC2)cc1	917014218	OVFJFYMCZIEPER-NRFANRHFSA-N	324.468	3.321	10	20	DGCD	
CCc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1O	848893687	BJIAOFORXZFDSU-UHFFFAOYSA-N	302.393	3.450	10	20	DGCD	
CCn1cc(CC(=O)NCc2ccccc2O)c2ccccc21	748346953	QTEMNHBTESDTLP-UHFFFAOYSA-N	308.381	3.226	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)C1(C(F)F)CCCC1	846475969	HIYACLQRZNFSGR-UHFFFAOYSA-N	303.736	3.487	10	20	DGCD	
Cc1noc(C)c1[C@H](C)CC(=O)NCc1cc(Cl)ccc1O	846476846	QWPNAUZGFGTNIA-SECBINFHSA-N	322.792	3.460	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2cnn(C(C)C)c2)cc1	846051648	JXVLFDJGIPGXQA-UHFFFAOYSA-N	316.449	3.041	10	20	DGCD	
Oc1c(Br)cccc1CNc1nccn1C1CC1	840887412	NOFOOWXERZNXMP-UHFFFAOYSA-N	308.179	3.298	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](CO)c2ccc(F)cc2)c(O)c1	840882034	SEHREWHBQPPTDP-HIFRSBDPSA-N	303.377	3.266	10	20	DGCD	
COCC1CCC(N[C@H](C)c2cc(C(=O)OC)ccc2O)CC1	840874741	CVXZHCIUQSHWIQ-DNOWBOINSA-N	321.417	3.035	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(F)cc(F)c1O	756797143	OQIQPYCFPKRBSW-QMMMGPOBSA-N	320.295	3.174	10	20	DGCD	
CCOc1ccc(CNCc2nc3c(s2)CCCC3)c(O)c1	922701005	ZHKRNIHVBOWUSK-UHFFFAOYSA-N	318.442	3.416	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCOC(C)C)cc1	754678946	LUYMTLCGBOZKGO-UHFFFAOYSA-N	300.402	3.249	10	20	DGCD	
CC(C)CSCCCn1cc(COc2ccc(N)cc2)nn1	864627512	NWOBJTDLVWDXCD-UHFFFAOYSA-N	320.462	3.219	10	20	DGCD	
C[C@H](N[C@@H](C)c1cscn1)c1ccc(N2CCOCC2)cc1	768099054	WBHJMZQVYZHAHM-KBPBESRZSA-N	317.458	3.392	10	20	DGCD	
Fc1cccc2c1CCN2Cc1ccc(N2CCOCC2)cc1	764676604	BTGGACSOZHOSMA-UHFFFAOYSA-N	312.388	3.225	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc(C(F)(F)F)nc1	761906142	YVFDVSRUNRGYIR-UHFFFAOYSA-N	311.263	3.128	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C(=O)O)[C@H](C)C2)cc1	863738655	DAHJLSVPVKJHJT-PBHICJAKSA-N	304.434	3.075	10	20	DGCD	
CN(C)c1cc(F)c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1F	862381115	VELJHXJDPMPFLK-MSOLQXFVSA-N	322.399	3.174	10	20	DGCD	
CCOC1CC(CC(=O)Nc2c(Cl)ccc3nonc23)C1	1117548841	WUBVOYOIOAKUMF-UHFFFAOYSA-N	309.753	3.020	10	20	DGCD	
C[C@@H](NC[C@@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1O	873294268	RKNXCPCNVQIDGD-ABAIWWIYSA-N	318.367	3.036	10	20	DGCD	
O=C1NCCc2ccc(NCc3cc(Cl)cc(F)c3O)cc21	777496556	PFVJWBGEVXGRQE-UHFFFAOYSA-N	320.751	3.083	10	20	DGCD	
CC(C)N1CCCN(Cc2cc(Cl)cc(F)c2O)CC1	775637311	PBCYEWLUYXDLTF-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
CC[C@@H](N[C@@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1O	775513254	OXYMZPRANKHPLS-TZMCWYRMSA-N	305.809	3.367	10	20	DGCD	
C[C@H](Nc1ccc(COCCO)cc1)c1c(O)cccc1F	886629293	AHPVYHFQIKLSOG-LBPRGKRZSA-N	305.349	3.213	10	20	DGCD	
CC(C)Oc1ncccc1CNCc1cc(F)cc(F)c1O	882894830	ZAARUEGMMAIYBY-UHFFFAOYSA-N	308.328	3.142	10	20	DGCD	
CCSc1ccccc1C(=O)NCc1ccc(O)c(O)c1	778914350	ITQKCESEXUNQMZ-UHFFFAOYSA-N	303.383	3.140	10	20	DGCD	
Cc1cc(Br)cc(CNC[C@@H]2CCC=CO2)c1O	783704879	JETLCAADTOVAHI-ZDUSSCGKSA-N	312.207	3.245	10	20	DGCD	
CC[C@H](N[C@@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1O	796959505	QPXCLMKEDKORHZ-AEFFLSMTSA-N	317.404	3.484	10	20	DGCD	
CCN(Cc1cc(OC)c(OC)cc1O)[C@H](C)C(F)(F)F	794676237	FPXLRDIQNQMNJO-SECBINFHSA-N	307.312	3.182	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](C)C(C)C	1319815697	LSXXKPLWPSGUBH-MRXNPFEDSA-N	321.484	3.444	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC([C@H]2CCNC2)CC1	1327004272	JPAGMBLRWWTSTL-IBGZPJMESA-N	313.489	3.108	10	20	DGCD	
Nc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1	1334775300	VJOXDWRNYRZSOP-UHFFFAOYSA-N	309.413	3.120	10	20	DGCD	
C[C@@H](NC(=O)c1ccccc1N1CCCC1=O)c1ccccc1O	1333104056	LAEXKDJDTQHZQP-CYBMUJFWSA-N	324.380	3.010	10	20	DGCD	
Cc1cc(NCc2cc(C)n(-c3ccccc3)c2C)nc(CO)n1	1331552990	ATSBRHZPBNHLAA-UHFFFAOYSA-N	322.412	3.297	10	20	DGCD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(Cc1ccc(N4CCCC4)cc1)C[C@@H]3C2	1343287877	YOYVLWFSEHPQOT-CZKCSJLSSA-N	312.457	3.142	10	20	DGCD	
C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1cc(C(=O)O)ccc1O	1609786392	QHTWNSHRTYOJAW-GHMZBOCLSA-N	315.373	3.431	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C)c(C(=O)O)c2)cc1F	1607267819	JUWKXWDHLUFKSY-UHFFFAOYSA-N	303.333	3.477	10	20	DGCD	
Cc1cc(C(=O)CSCCC(=O)O)c(C)n1-c1ccccc1	1594274490	PYIQUKVYXIXGNV-UHFFFAOYSA-N	317.410	3.485	10	20	DGCD	
COCC[C@@H](N[C@H](C)c1cc(C(=O)O)ccc1O)c1ccco1	1599219132	WPBWLDHDZBGMPD-BXUZGUMPSA-N	319.357	3.112	10	20	DGCD	
CCOC(=O)C1CCN(Cc2cc3c(cc2O)CCCC3)CC1	159466304	DTYRIRLLSPHHOH-UHFFFAOYSA-N	317.429	3.046	10	20	DGCD	
COc1ccc(CN[C@H](C)CNC(=O)OC(C)(C)C)cc1C	227687773	LCCLELDPMWUDDA-CYBMUJFWSA-N	308.422	3.006	10	20	DGCD	
CC[C@H](COC)NCc1cc(Cl)cc(Br)c1O	708098522	JDRZHZCJPPBASQ-SNVBAGLBSA-N	322.630	3.323	10	20	DGCD	
Cc1noc([C@H]2CCCN(Cc3cc(C)c(C)cc3O)C2)n1	60126766	QGBZMMUKBCDERH-AWEZNQCLSA-N	301.390	3.080	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CCCCO1	110611838	FIMCUZMHKOMZFP-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
Cc1nc(CCNCc2ccc(N3CCCC3)cc2)cs1	218207040	APUKUCKPQRACRC-UHFFFAOYSA-N	301.459	3.384	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc(Cl)nc(C2CC2)n1	183598139	YDQVFTLOTXKGEZ-VIFPVBQESA-N	319.792	3.462	10	20	DGCD	
Cn1cc(C[C@@H]2CCN(Cc3c(O)ccc4ccccc34)C2)cn1	83113895	KFFYJXOBQJWASQ-HNNXBMFYSA-N	321.424	3.344	10	20	DGCD	
COc1cccc(CN2CCC(c3ccc(O)cc3)CC2)c1O	271044381	PDTIPXISIQKKLT-UHFFFAOYSA-N	313.397	3.486	10	20	DGCD	
CCOC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)C(C)C	364829850	MSUZZYNKBJKVJB-IBGZPJMESA-N	320.477	3.315	10	20	DGCD	
O=C(N[C@H](c1ccccc1)c1ccccn1)c1cccc(O)c1O	363922873	GHMINHHCWJDGHC-QGZVFWFLSA-N	320.348	3.012	10	20	DGCD	
Cc1nc([C@H]2CCCCN2Cc2cc(Cl)ccc2O)no1	372839448	RVKVURJHRMQGRJ-CYBMUJFWSA-N	307.781	3.464	10	20	DGCD	
Oc1ccccc1CN1CCC(N2CCc3ccccc32)CC1	800527857	DNLPYFAJIGFERD-UHFFFAOYSA-N	308.425	3.419	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1ccc(OCC3CC3)nc1)CC2	297958166	ZDNPQASEVGXUJH-INIZCTEOSA-N	310.397	3.353	10	20	DGCD	
COCC[C@@H]1CCC[C@H]1NCCCSc1nccs1	800479639	HRPAEJANWPSCLE-QWHCGFSZSA-N	300.493	3.420	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CSC[C@@H]1C	807477749	XLCVZJNLUPGWBT-GXTWGEPZSA-N	308.447	3.065	10	20	DGCD	
CCCCO[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	299256008	GYBDHKAUXAVPHV-HNNXBMFYSA-N	304.434	3.108	10	20	DGCD	
CSCCCNCc1cc(Br)cc(F)c1O	715744706	IOWDSUNPXCUZHZ-UHFFFAOYSA-N	308.216	3.137	10	20	DGCD	
CCc1nnc(CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)s1	391877716	RUCJBTUSCRPERW-GHMZBOCLSA-N	303.431	3.453	10	20	DGCD	
Cc1ccoc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	813720497	VBTSQGWQGICOEL-CYBMUJFWSA-N	301.390	3.214	10	20	DGCD	
C[C@H](C[C@@H](O)c1ccco1)NCc1cc(Cl)c(F)cc1O	816559226	BVZBXCNOHOXTTC-YMTOWFKASA-N	313.756	3.380	10	20	DGCD	
Cc1cc(CN[C@H](CO)c2cccc(F)c2)ccc1N(C)C	815087607	WVNZGXQKVQWZHZ-QGZVFWFLSA-N	302.393	3.023	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1	811790536	NCQJNAGBMYWQPW-RBUKOAKNSA-N	324.424	3.474	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H](CN)[C@@H](C)C[C@H]2C)c1O	817880394	RNAHNRIXWXZKJN-WDMOLILDSA-N	324.852	3.053	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@@H](N)c2ccccc2)c2c(O)ccc(F)c21	817954046	AQXNPEUONVZDKW-DFBGVHRSSA-N	300.377	3.369	10	20	DGCD	
COc1ccc(CNC(=O)c2ccn(C(C)C)c2C)c(O)c1	816549855	AIENDFOMGQFAEM-UHFFFAOYSA-N	302.374	3.022	10	20	DGCD	
CC1(C)CCc2sc(NC(=O)NCc3ccccc3O)nc21	817321240	SPRIRUFVQFUBQA-UHFFFAOYSA-N	317.414	3.394	10	20	DGCD	
COc1ccc(N(CC(=O)c2cccn2C)CC(C)C)cc1	728917503	HUXBJLNDJKCXPF-UHFFFAOYSA-N	300.402	3.379	10	20	DGCD	
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(O)cs1)CCC2	827293471	ZDHDBCFIUCGWIU-NSHDSACASA-N	308.428	3.368	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1C[C@H](C)C(=O)Nc2ccccc21	492527868	GJRKTYYQZFNJJK-DANTVBBOSA-N	321.380	3.025	10	20	DGCD	
CC[C@H](COCC(F)(F)F)N[C@@H]1CCc2cccc(O)c21	834845002	XLBRABQVVSWGOR-VXGBXAGGSA-N	303.324	3.327	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCO[C@H](c3nccn3C)C2)c1	834910830	FWPZDWZDWSXQTD-ZQIUZPCESA-N	315.417	3.005	10	20	DGCD	
C[C@@H](c1ccc(C(=O)O)o1)N1CCOc2cc(N(C)C)ccc21	833547172	QTMIBMSTZFZHTB-NSHDSACASA-N	316.357	3.004	10	20	DGCD	
CCc1cccc(CNc2ccc3c(c2)CCC(=O)N3C)c1O	848900801	KCAXMVSEFVMBDT-UHFFFAOYSA-N	310.397	3.476	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](CC2CC2)C(=O)O)cc1	844291824	ZKGUVMCZDTYRGQ-MRXNPFEDSA-N	304.434	3.123	10	20	DGCD	
CCC[C@@H]1[C@H](C)CCCN1C(=O)NCCc1ccc(N)cc1	841955326	ZDMOBVPGWHYGJD-RHSMWYFYSA-N	303.450	3.422	10	20	DGCD	
C[C@H](NCCCCCCN)c1ccc(Br)cc1O	843342097	NINZAPSFJVKXJF-NSHDSACASA-N	315.255	3.324	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@]2(C)c2ccccc2)cc1	743642507	SOIUZORFOIMANP-ICSRJNTNSA-N	323.440	3.282	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@H]1c1ccccc1	840957049	HZCJBTNSMWNYTB-UXHICEINSA-N	310.441	3.369	10	20	DGCD	
COCCN(Cc1cccnc1)Cc1ccc(N(C)C)cc1C	840948817	LAKWSDPTRGZYIQ-UHFFFAOYSA-N	313.445	3.105	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCc1nnc(C2CC2)s1	840973417	MOSWBLWQYLHCSJ-UHFFFAOYSA-N	313.785	3.203	10	20	DGCD	
Cc1cc(C(=O)NCCOC(C)C)c(C)n1-c1ccc(F)cc1	754581936	ARBYZIOUDMIPEK-UHFFFAOYSA-N	318.392	3.388	10	20	DGCD	
C[C@@H](N[C@H]1CC[C@H](O)CC1)c1ccc(Br)cc1O	756770048	IRCCWEVUYUMXCE-YUSALJHKSA-N	314.223	3.109	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c(C)c1	756761884	UZFJPSCMVNBQSP-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2cnc(C)s2)c1	866454860	HKQYJBIYJXJUQC-NXEZZACHSA-N	320.414	3.356	10	20	DGCD	
Cc1ccc(CN(Cc2ccco2)C2CCN(C)CC2)c(O)c1	877531600	RKNXMXIHOHPZCV-UHFFFAOYSA-N	314.429	3.390	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@]1(O)CCc2ccccc21	776253945	XSYRUPKYNUSZON-QGZVFWFLSA-N	321.779	3.108	10	20	DGCD	
C[C@@H](N[C@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1O	879649307	NADNOHKUZIYUHJ-HIFRSBDPSA-N	304.434	3.080	10	20	DGCD	
Cc1noc2ncc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc12	773021007	QGDQDLMKKSOKRL-NSHDSACASA-N	324.384	3.088	10	20	DGCD	
COCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1	775180032	IZHGWXOKMQQXGE-UHFFFAOYSA-N	318.329	3.068	10	20	DGCD	
C[C@H]1Cc2cc(/C=C3/SC(=S)N(C4CC4)C3=O)ccc2O1	899260403	FVZWDVUOTOAKEA-PFMRQGHBSA-N	317.435	3.374	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC=CO1	780731966	CSPUPEFINLFJMV-HNNXBMFYSA-N	304.390	3.007	10	20	DGCD	
COc1ccc(CNC[C@H](OC)C2CCCCC2)c(O)c1OC	895454031	UZRASIDOGFXSAX-INIZCTEOSA-N	323.433	3.094	10	20	DGCD	
COCCN(Cc1ccc(OC)c(OC)c1O)[C@@H]1CC[C@H](C)C1	893998784	AEXJROOFRSSOLS-DZGCQCFKSA-N	323.433	3.046	10	20	DGCD	
CC[C@H](C)[C@@H](CNCc1c(O)cccc1Br)OC	706799903	HZNZZVWDPSGZIR-IINYFYTJSA-N	316.239	3.305	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](CCO)C1CCOCC1	1325506488	PZNZITIEBGZUJG-VNQPRFMTSA-N	319.445	3.016	10	20	DGCD	
C[C@@H](NC(=O)c1ncc(Cl)s1)c1ccc(N(C)C)cc1	1321062420	WDEDUHCZVZPHRA-SECBINFHSA-N	309.822	3.354	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)CC(=O)OC(C)(C)C)c(O)c1	1254184014	IHPBKCHLLFKLBO-LBPRGKRZSA-N	309.406	3.001	10	20	DGCD	
Cc1nc(C)c(C(=O)Nc2c(Cl)ccc3nonc23)s1	1346941522	UJMDGCLYCSJINR-UHFFFAOYSA-N	308.750	3.202	10	20	DGCD	
CC[C@@H](NCc1ccc(N(C)C)c(F)c1)C1(C(=O)O)CCC1	1595300015	MNZKCBJLSGVERQ-OAHLLOKOSA-N	308.397	3.015	10	20	DGCD	
Nc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1	160351231	QUFOXSPCUWEFSW-UHFFFAOYSA-N	308.381	3.359	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(OC)c(C)cc2O)cc1	159479480	FPBJLXUIUAMPFS-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)cc(Cl)c2O)cn1	20016962	KULFFLDCSSMVND-UHFFFAOYSA-N	313.184	3.392	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Br)ccc2O)[C@H](C)CO1	403839926	SGZROYZOKZFVJK-ZWNOBZJWSA-N	314.223	3.154	10	20	DGCD	
C[C@H](NCCc1ccc(N)cc1)c1cnn(Cc2ccccc2)c1	817956206	TVDVSXVAPJQWPO-INIZCTEOSA-N	320.440	3.407	10	20	DGCD	
C[C@H](N)[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	63191306	JOHDIZRBJDHLHW-TVQRCGJNSA-N	303.233	3.401	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)CSC)cc1F	66841421	DTPHBVJATPGAEZ-GFCCVEGCSA-N	312.454	3.287	10	20	DGCD	
CCc1ccc(CCNC(=O)N(C)Cc2ccccc2O)cc1	77620837	WFPAHELEHOUXOG-UHFFFAOYSA-N	312.413	3.339	10	20	DGCD	
C[C@H](N1CCN(Cc2cc(Cl)ccc2O)CC1)C(F)(F)F	93883012	ZQNGFRFNVRDGRJ-JTQLQIEISA-N	322.758	3.114	10	20	DGCD	
Cc1ccc(NC(=O)CN(C)Cc2ccccc2O)cc1Cl	109770293	PERCNNRFKVAKTQ-UHFFFAOYSA-N	318.804	3.425	10	20	DGCD	
COCc1cccc(CN[C@@H](C)c2cc(OC)ccc2O)c1	121418585	GOYOVSPSAXQIGJ-ZDUSSCGKSA-N	301.386	3.398	10	20	DGCD	
Cc1ccc(NC(=O)CN(C)Cc2cc(C)c(C)cc2O)cc1	125682886	KSCOIDWTIJKDSD-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cccs1	127815563	BDGCUYCIHDWHPB-UHFFFAOYSA-N	312.397	3.265	10	20	DGCD	
Cc1ccccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	152985076	JJURKKGVRSBDKA-GFCCVEGCSA-N	300.358	3.159	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1(C)CCCS1	153258996	OZPRHWUZGXIZHQ-QGZVFWFLSA-N	321.490	3.180	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(c3ccc(F)cc3)CC2)c1	155973620	REWPFVIWPIWTIE-UHFFFAOYSA-N	300.377	3.162	10	20	DGCD	
C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1O	170789687	GXHBPSDXWDHUSX-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)[C@H](C)CN1C	177974491	JPAVXLSUMFIYAD-JTDSTZFVSA-N	301.478	3.105	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C[C@@H](C)OC	182204388	MDRVJRFIKVDVFA-SNVBAGLBSA-N	302.212	3.012	10	20	DGCD	
COC(=O)c1ccc(CN[C@H](C)c2cc(OC)ccc2O)s1	182436231	VRIDIGAFHMUUSZ-SNVBAGLBSA-N	321.398	3.100	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2nncn2-c2ccccc2)c1	184999688	POZGMVIISKZGPB-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
COc1cccc([C@H](O)CN[C@H](C)c2ccc(C)cc2O)c1	185419594	PIFMQCNOBZFKFB-FZKQIMNGSA-N	301.386	3.093	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1O	185468390	KZDQPTDBDSDKBH-RVPKQNPDSA-N	307.340	3.443	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1C[C@H](C)Oc2cc(F)ccc21	186585055	NACPUFIZDGNMRQ-PORFMDCZSA-N	318.373	3.418	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCSC[C@H]2c2cnn(C)c2)c1	189878978	XKJALPZGFKRRME-INIZCTEOSA-N	317.458	3.033	10	20	DGCD	
COc1ccc(CN[C@H]2COc3c(cccc3OC)C2)cc1C	237366452	FFFPPXPESLJGLK-MRXNPFEDSA-N	313.397	3.106	10	20	DGCD	
COc1cccc([C@H](O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1	268914885	NPQCMJWNMMXVBM-IFXJQAMLSA-N	314.429	3.145	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)NCc2ccc(OC)c(C)c2)n[nH]1	277489537	UCYXNTCDEPXISY-WCQYABFASA-N	302.422	3.486	10	20	DGCD	
C[S@@](=O)C1(CNCc2cc(-c3ccccc3)ccc2O)CC1	282188344	BUNVIJJERHBYGF-JOCHJYFZSA-N	315.438	3.060	10	20	DGCD	
Cc1cc(O)c(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1C	290207624	QCZVXGUAKOMUJZ-QAQJPARQSA-N	301.430	3.182	10	20	DGCD	
CCOc1ccc(O)c(CNCCCc2ncccc2C)c1	295060871	QFQQUNRYTDJKLZ-UHFFFAOYSA-N	300.402	3.217	10	20	DGCD	
Cc1c(NCc2ccc(N(C)C)cc2)cnn1C1CCOCC1	295065493	GVVODCXDCXMNFM-UHFFFAOYSA-N	314.433	3.221	10	20	DGCD	
C[C@H]1CCCN(CCCCN[C@@H]2CCc3cccc(O)c32)C1	295828949	DUXTXSUYVVCXKO-DOTOQJQBSA-N	302.462	3.481	10	20	DGCD	
C[C@@H]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)C[C@H]1C	315997982	ZUMAIONWXZOCMS-JFIYKMOQSA-N	302.462	3.438	10	20	DGCD	
Cc1c(CNC(=O)CC[C@@H]2CCCCO2)n(C)c2ccccc12	348659324	IPBCXWSIKIJBFU-HNNXBMFYSA-N	314.429	3.452	10	20	DGCD	
Cc1c(CNC(=O)c2cc(C3CC3)n(C)n2)n(C)c2ccccc12	348663737	FEFCIDUHAMWJCM-UHFFFAOYSA-N	322.412	3.028	10	20	DGCD	
CCOc1cccc(CN[C@H]2CN(C)Cc3ccccc32)c1O	361171391	UHPWUVRWJLPEMY-KRWDZBQOSA-N	312.413	3.067	10	20	DGCD	
CCC(CC)(CO)CNC1CCN(c2ccc(OC)cc2)CC1	362032021	HTSGKXFNROWDII-UHFFFAOYSA-N	320.477	3.052	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2c[nH]nc2C1)c1cc2c(cc1O)CCCC2	370397826	OHHSYNIFKDYKCA-MLGOLLRUSA-N	311.429	3.202	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H](CO)Cc2ccccc21	590049636	XLWWQYUPNNQILR-GTBONMDNSA-N	324.380	3.279	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNC1CC(F)(F)C1	715804584	PRUYTDYEMBLSAL-UHFFFAOYSA-N	310.113	3.181	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)CCC3)c1	728983721	CXTJQQUDSPSKPR-LBPRGKRZSA-N	311.381	3.381	10	20	DGCD	
CCOC(=O)CCCN(Cc1ccccc1O)C1CCCC1	731847687	MEXOFBGZOPJDSX-UHFFFAOYSA-N	305.418	3.480	10	20	DGCD	
CC(C)COc1ccccc1CNC(=O)c1cc(O)cs1	732276930	WYKKYNLNWVKNIE-UHFFFAOYSA-N	305.399	3.419	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3occc3s2)c1O	736676853	VTHMZSKFSNZNNQ-UHFFFAOYSA-N	303.339	3.139	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C	750826907	UBWXMYMEQWXKHN-HZPDHXFCSA-N	323.408	3.369	10	20	DGCD	
C[C@H](NCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1O	756672546	PXQFYRFIYBDTQC-VIFPVBQESA-N	308.284	3.429	10	20	DGCD	
CC[C@H](O)CCCN[C@@H](C)c1cc(Br)ccc1O	756738792	LFZQOLLFSOBVSF-JQWIXIFHSA-N	316.239	3.356	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1ccccc1)C[C@H]1CCCO1	757910460	UYPQQBOXOCVPFJ-OAHLLOKOSA-N	317.410	3.275	10	20	DGCD	
CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n[nH]1	773008606	HFTYMCAACYKHMU-LBPRGKRZSA-N	300.406	3.090	10	20	DGCD	
COc1ncc(/C=C/C(=O)N(C)c2ccc(C)c(Cl)c2)cn1	775854964	YOQVGHWMFIDDSX-FNORWQNLSA-N	317.776	3.123	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(Cl)cc1O	779541774	JVBWRNMMFLRFGL-QHHAFSJGSA-N	305.717	3.109	10	20	DGCD	
CC(C)[C@@H](NCc1cc(F)ccc1O)[C@@H](O)c1ccccc1	789778211	GNZDGCZSYGOTEJ-MSOLQXFVSA-N	303.377	3.379	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2CCC[C@@H](C)CC2)c(O)c1	793171118	MNGQZEQMBMACEI-OCCSQVGLSA-N	306.406	3.169	10	20	DGCD	
CCOc1cccc(CNCC2(OC)CCC(C)CC2)c1O	793291441	RNRYMEZLDYIHLB-UHFFFAOYSA-N	307.434	3.476	10	20	DGCD	
OCCN(Cc1cc(Cl)cc(F)c1O)[C@H]1C[C@H]2CC[C@H]1C2	793328262	LYBVUHQXUXPRSX-PGUXBMHVSA-N	313.800	3.168	10	20	DGCD	
COc1ccc(CNC(=O)C2(c3ccccc3)CCC2)c(O)c1	794388172	RKXSTZCYZUKJLS-UHFFFAOYSA-N	311.381	3.139	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCOC1	802151535	CKNZYIUOPQQIDH-SFHVURJKSA-N	320.433	3.131	10	20	DGCD	
C[C@H](Cn1ccc2ccccc21)C(=O)NCc1ccccc1O	802777382	LEPFUKHRYKOORZ-CQSZACIVSA-N	308.381	3.299	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C1SCCS1	807840325	YZUDADILJIYCIF-UHFFFAOYSA-N	324.254	3.121	10	20	DGCD	
CSC[C@H](CCO)N[C@H](C)c1cc(Cl)cc(C)c1O	808699077	RUPPEZVXRMFNNO-PWSUYJOCSA-N	303.855	3.119	10	20	DGCD	
CCO[C@@H]1COCC[C@H]1N[C@H](C)c1cc(Cl)cc(C)c1O	808714000	LHXRQHLHHWJTNS-KCPJHIHWSA-N	313.825	3.199	10	20	DGCD	
COC[C@H](C)[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1	812486286	IZBWEAGBTHORQE-HOTGVXAUSA-N	318.461	3.212	10	20	DGCD	
CCC[C@]1(CO)CCCN1Cc1cc(Cl)c(F)cc1O	816592225	CLVQKZPOYNVGNT-OAHLLOKOSA-N	301.789	3.312	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1nc(Cl)sc1Cl	816889371	VSYGHLAWGOPSAG-UHFFFAOYSA-N	317.197	3.428	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H](N)C1)c1cc(Br)ccc1O	817969935	IIRDXIYOESZZKS-ZMLRMANQSA-N	313.239	3.075	10	20	DGCD	
CC(C)COc1cccc(OCC(=O)Nc2ccc(N)cc2)c1	818556257	FLASVSINABSSRC-UHFFFAOYSA-N	314.385	3.321	10	20	DGCD	
CC(C)=CCC[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819170029	SBBUAWCSUMESMC-AWEZNQCLSA-N	316.401	3.291	10	20	DGCD	
CC[C@H](C)CCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819588966	BCORUKUJEUXEAT-JKSUJKDBSA-N	318.461	3.464	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3ccc(Cl)nn3)C2)cc1	819934964	JDFHAZXIDKVRRR-GFCCVEGCSA-N	318.808	3.077	10	20	DGCD	
Oc1cc(OCc2ccccc2)ccc1CNCCOCCF	827948045	FSOLFRQBSNGIBL-UHFFFAOYSA-N	319.376	3.047	10	20	DGCD	
C[C@@H](CCCO)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	834870810	KNWHJIDBWLSEEQ-QWRGUYRKSA-N	305.340	3.470	10	20	DGCD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NCCCSc1nccs1	838515488	WWJGLZNYEOICON-FZMZJTMJSA-N	313.492	3.359	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1	840298388	SYBVDUZMZVXMPV-CZUORRHYSA-N	318.417	3.026	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@H]2CS[C@@H](C)C2)c1	840958056	IDCOUISFCWWZPA-GXSJLCMTSA-N	316.264	3.447	10	20	DGCD	
CO[C@H](CC(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	841027953	HLPSCGVTWPDABY-GOSISDBHSA-N	318.461	3.305	10	20	DGCD	
CCNC(=O)C1(CN[C@H](C)c2ccc(Cl)cc2O)CCC1	841754094	YUYQXZZYSRLEEP-LLVKDONJSA-N	310.825	3.003	10	20	DGCD	
Cc1cc(O)c(CNC[C@](C)(C(=O)O)c2ccccc2)cc1C	844940718	YBCUKCUOXMKRNK-IBGZPJMESA-N	313.397	3.141	10	20	DGCD	
COc1ccc(N(C)Cc2c(Cl)nc(Cl)n2C)cc1	845999260	VGGCGNDUBBJRTL-UHFFFAOYSA-N	300.189	3.372	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCN3CCCC[C@@H]23)c1	848568356	GORKFSLGNMHBTB-JQFCIGGWSA-N	304.434	3.068	10	20	DGCD	
CCc1cccc(CNC[C@](C)(O)c2cc(C)oc2C)c1O	848897615	KJHHVKLWGVVDEO-SFHVURJKSA-N	303.402	3.162	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](OC3CCC3)C2)cc1F	848925321	SQQAWYJYNJEUSP-MRXNPFEDSA-N	306.425	3.425	10	20	DGCD	
CC(=O)N(C)c1ccc(CNCc2cc(C)c(C)cc2O)cc1	858251333	VHNVOYJDFOXXER-UHFFFAOYSA-N	312.413	3.282	10	20	DGCD	
CN(Cc1cc(F)c(N(C)C)cc1F)C[C@H]1CCCC[C@@H]1O	862300425	PBQUXVJSQSOTEH-PXAZEXFGSA-N	312.404	3.014	10	20	DGCD	
Cc1cc(C(=O)N2N[C@H]3CC[C@H]2C3)c(C)n1-c1ccc(F)cc1	862909540	OLDKCSOZHUMBFP-HOCLYGCPSA-N	313.376	3.115	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCC1(O)CCC1	868109900	MPMDDBDKLMCIRI-UHFFFAOYSA-N	305.418	3.216	10	20	DGCD	
CSC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	868515796	SQGMNXYSMCDYNY-CYBMUJFWSA-N	321.490	3.351	10	20	DGCD	
CSCC[C@H](C)N(C)Cc1ccc(N2CCC(O)CC2)cc1	876753208	CHMZEPNWMRYHAB-HNNXBMFYSA-N	322.518	3.221	10	20	DGCD	
CC(C)Cn1ncc(C(=O)N(C)c2ccc(N)cc2)c1C1CC1	877076958	YHVUZDSGRSDQQT-UHFFFAOYSA-N	312.417	3.275	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc(C)cc1O)c1ccc(F)c(C)c1	877427352	JVJYUCCSWLCSEN-KRWDZBQOSA-N	317.360	3.152	10	20	DGCD	
Cc1cccc(O)c1CNC[C@]1(CO)C[C@H]1c1ccc(F)cc1	877476482	FZIXITUIGSEABM-HKUYNNGSSA-N	315.388	3.096	10	20	DGCD	
COc1ccc(CN2CCC[C@H]2c2cccn2C)c(O)c1OC	891503770	WEIBXMOFYWCQNY-HNNXBMFYSA-N	316.401	3.085	10	20	DGCD	
CC(C)N(CC1CC1)C(=O)NCCCSc1nccs1	893645745	MCLMJYKIQPUEFD-UHFFFAOYSA-N	313.492	3.455	10	20	DGCD	
Oc1c(Br)cccc1CNc1nccnc1C1CC1	902167070	ZORNSPVJJOTTJS-UHFFFAOYSA-N	320.190	3.434	10	20	DGCD	
Cc1cc(CN2CC3(CCNCC3)C[C@H]2C)ccc1N(C)C	923382320	BVIWJLIWHFDXHA-MRXNPFEDSA-N	301.478	3.025	10	20	DGCD	
CN1CCC[C@@]2(CCN(Cc3ccc(N4CCCC4)cc3)C2)C1	1261244934	JHDQBKQTTZRSOM-HXUWFJFHSA-N	313.489	3.205	10	20	DGCD	
C[C@H](NCc1cc(OCC(F)F)ccn1)c1ccccc1O	1320137667	YGHXFWGVKQUKLE-NSHDSACASA-N	308.328	3.282	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc([C@@H]2C[C@H]2C(C)(C)C)n1C	1339571736	PKORYGTUOCNCSF-ZIAGYGMSSA-N	314.433	3.307	10	20	DGCD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(O)c2O)cc1C	1350299596	FPSOHTRVLQAGED-JKSUJKDBSA-N	311.381	3.135	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc(C(=O)O)c(F)c2)cc1F	1598320659	LDIPUJVVTZUICT-UHFFFAOYSA-N	320.339	3.019	10	20	DGCD	
Cc1csc([C@@H](C)N[C@H](C)c2cc(C(=O)O)ccc2O)n1	1600654039	DAGFMZSXJYAIJA-NXEZZACHSA-N	306.387	3.267	10	20	DGCD	
CCN(C)c1ccc(CN[C@H]2CC[C@@H](C(=O)O)CC2)c(C)c1	1776856586	CYGFNHWCCQOQRP-FZNQNYSPSA-N	304.434	3.184	10	20	DGCD	
CCOc1ccc(N(C)Cc2ccc(C(=O)O)cc2OC)cc1	1776933174	LXPWRZJZEUYNGJ-UHFFFAOYSA-N	315.369	3.429	10	20	DGCD	
CCC[C@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	55877656	JFSYCLFTZOKHEK-HNNXBMFYSA-N	304.434	3.170	10	20	DGCD	
CCCCC[C@H](C)NC(=O)CN(C)c1ccc(OC)c(OC)c1	64517388	IDCAPPJGTUEIRY-AWEZNQCLSA-N	322.449	3.225	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1cc2c(cc1O)OCO2	92705050	OHBSJZGWADMLDX-UHFFFAOYSA-N	315.369	3.239	10	20	DGCD	
C[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1	112803351	RJAIEJIGUGKRSH-SUMWQHHRSA-N	322.424	3.103	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCC[S@@](=O)C(C)(C)C)cc1	127275448	ROCGMNXBLFMWRL-QKKBWIMNSA-N	310.507	3.341	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CNc2ncnn2C)cc1	162158003	JMJMGFIRBJJCAH-UHFFFAOYSA-N	321.428	3.454	10	20	DGCD	
O=C(NC[C@H]1CCCCN1Cc1ccccc1O)c1ccccc1	179566993	OYVTXRWWLFONOU-GOSISDBHSA-N	324.424	3.177	10	20	DGCD	
C[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1O	179873234	TWBHBMKPPQNRBU-CQSZACIVSA-N	310.397	3.022	10	20	DGCD	
Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1	181221493	QKZJUEDTYGFINM-UHFFFAOYSA-N	311.385	3.492	10	20	DGCD	
COCCCN(C)CCN[C@H](C)c1ccc2ccccc2c1O	185553936	FJLYKQFYXHYYCU-OAHLLOKOSA-N	316.445	3.164	10	20	DGCD	
Cc1ccc(CN2CC[C@H](N[C@@H](C)c3ccccc3O)C2=O)cc1	189092487	SLRHPKGNINZSNN-YJBOKZPZSA-N	324.424	3.152	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2CCN(CC(F)(F)F)C2)c1	193505549	ABMCZOKPAXVSJV-STQMWFEESA-N	316.367	3.235	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(SC)CCC2)c1	195130590	CDVNLVHQVHWFRA-LLVKDONJSA-N	324.446	3.047	10	20	DGCD	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc(Cl)cc(Cl)c1O	271178502	GVASOJDBZQWYPQ-LQJGKPAFSA-N	322.257	3.040	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cnns1	276888682	BUYBMWAPBKELMJ-UHFFFAOYSA-N	319.434	3.047	10	20	DGCD	
COC[C@H](N[C@H](C)c1ccc2ccccc2c1O)[C@@H]1CCCO1	278955707	ZTNVHKBYKCJZMY-BVGQSLNGSA-N	315.413	3.390	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCSC1	279345514	RNDGLQCHFPWVCF-OAHLLOKOSA-N	321.490	3.037	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC(F)(F)[C@@H](C)C2)c1O	290012018	ZVAKTKPNHDAKNL-VIFPVBQESA-N	301.308	3.211	10	20	DGCD	
Cc1c(CNC(=O)N2CCC[C@H]2CF)n(C)c2ccccc12	454875445	NUMALLVKDBWZAF-ZDUSSCGKSA-N	303.381	3.130	10	20	DGCD	
CO[C@@H]1CCN(Cc2ccc(Br)cc2O)[C@H](C)C1	701177181	WVAPNVQTXUFZAE-ZWNOBZJWSA-N	314.223	3.154	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)c(F)c2)c1	728979907	QFJRNQIKPPBHSA-LLVKDONJSA-N	303.333	3.339	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)cc2O)c1	728980874	PCRUXIDBWWMPHL-SECBINFHSA-N	321.760	3.251	10	20	DGCD	
O=C(NCc1ccccc1O)c1cnc(-c2ccccc2)s1	748345078	HPOTVACDDWAASK-UHFFFAOYSA-N	310.378	3.446	10	20	DGCD	
COCCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	749323228	BFHQJUTYAKNNOL-UHFFFAOYSA-N	314.429	3.477	10	20	DGCD	
C[C@@H](NC1CCN(CC2CC2)CC1)c1cc(F)cc(F)c1O	756431623	CQAWYVQPOOGYLZ-LLVKDONJSA-N	310.388	3.195	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Cl)ccc1O	756582127	GJWDGBXSBHTWNM-OUCADQQQSA-N	324.852	3.343	10	20	DGCD	
C[C@@H](NC(=O)COc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CC[C@H]1C2	757705745	XIKGDXAINVNRGJ-LDDOYCOJSA-N	316.445	3.072	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)c2ccccc2N(C)C)c1O	762926774	NJMYOTWXJXYHPZ-UHFFFAOYSA-N	316.376	3.436	10	20	DGCD	
C[C@@H](c1ccco1)N(C)Cc1ccc(N2CCN(C)CC2)cc1	775650297	YAOKGEUQKUUFNX-INIZCTEOSA-N	313.445	3.224	10	20	DGCD	
CN(C/C=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2	780778977	ZXPBJTDWQMGVJK-GQCTYLIASA-N	312.325	3.473	10	20	DGCD	
Cc1ccc(-c2cc(C(=O)NCc3ccccc3O)n[nH]2)cc1C	780929990	ACPPJLKVYCPKOS-UHFFFAOYSA-N	321.380	3.329	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](c2ccnn2C)C(C)C)c1	788257668	CHMYTBAECYOXCC-XJKSGUPXSA-N	317.433	3.225	10	20	DGCD	
O=C(Nc1cccc(OC(F)F)c1)c1c(F)ccc(O)c1O	790069836	XCHJRQMZCBJOEC-UHFFFAOYSA-N	313.231	3.091	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ccc2n[nH]cc2c1	793654220	AHEDLMSPAOQNEC-UHFFFAOYSA-N	323.396	3.250	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)C1CCOCC1	795106198	VJGOHUKLWGYIBQ-UHFFFAOYSA-N	318.461	3.130	10	20	DGCD	
O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccoc1	795344913	KGZQKUZLAAZBJY-UHFFFAOYSA-N	308.142	3.093	10	20	DGCD	
Cc1cc(CC(=O)NCCF)c(C)n1-c1ccc(Cl)cc1	798060640	VODNVFVUFZJWQC-UHFFFAOYSA-N	308.784	3.376	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCCNC(=O)C2CCC2)c1O	808706240	FMSKZDBOPSZMAD-GFCCVEGCSA-N	324.852	3.311	10	20	DGCD	
CC(C)(C)OC(=O)CCNCc1ccc2ccccc2c1O	816553261	OOZPUOKJWDVNDJ-UHFFFAOYSA-N	301.386	3.367	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3ncccc3F)C2)cc1	819935219	LKEBHYZHQOZYAS-ZDUSSCGKSA-N	301.365	3.168	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCN(C2CC2)c2ccc(F)cc21	832426449	ZTQZSRPUBRUVNZ-UHFFFAOYSA-N	318.373	3.222	10	20	DGCD	
CC[C@H](C)[C@H](OC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839921151	IBQJCXRBCIYKQF-JOQOYGCGSA-N	320.477	3.169	10	20	DGCD	
Cc1ccc(-c2nn(C)cc2CN(C)Cc2ccccc2O)o1	843394611	SMBURUFJEBWFRT-UHFFFAOYSA-N	311.385	3.326	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc1	843449380	WYMYLNRSHSSJBQ-HNNXBMFYSA-N	314.351	3.439	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(CN)cc2F)c2c(O)ccc(F)c21	844923739	JRXYCQUFQDCRJQ-BONVTDFDSA-N	318.367	3.467	10	20	DGCD	
CCCN(CCC)c1ccc(CN[C@H]2C[C@@H](C(=O)O)C2)cc1	874047744	ZHHPGTBPFXDLHO-IYBDPMFKSA-N	304.434	3.266	10	20	DGCD	
COC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccc(C)o1	875335025	QIIBIBDFPLIAFZ-TZMCWYRMSA-N	318.373	3.042	10	20	DGCD	
OC1CCN(c2ccc(CN3[C@H]4CCC[C@H]3CC4)cc2)CC1	876746720	VANAHWNYQWQREV-ROUUACIJSA-N	300.446	3.165	10	20	DGCD	
COc1ccc(CNC[C@@H](C)c2ncc(C)s2)c(O)c1OC	893574828	AFCKRSHUPKOBIK-SNVBAGLBSA-N	322.430	3.068	10	20	DGCD	
Cc1ccccc1[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	900046992	YZMZEBOFNQCFST-SFHVURJKSA-N	311.381	3.236	10	20	DGCD	
CCCOc1ccc(CNCc2ccc(C(=O)O)o2)cc1C	901656904	QOQPCBFWCYSFPU-UHFFFAOYSA-N	303.358	3.365	10	20	DGCD	
O=[N+]([O-])c1ccc2c(c1)N(Cc1c(O)ccc3ccncc13)CC2	919946912	COULINYEHKJBFV-UHFFFAOYSA-N	321.336	3.411	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)nc(C)c1	1262604752	CBNIWXVENROMRE-UHFFFAOYSA-N	311.429	3.427	10	20	DGCD	
O=C(Cc1cccc(F)c1F)Nc1c(Cl)ccc2nonc12	1327167595	SFJXDAXZWJWDKJ-UHFFFAOYSA-N	323.686	3.336	10	20	DGCD	
CCOc1ccc(CN(C)C(=O)c2cc(O)cs2)cc1OC	1327644025	ZSDJBUDPVQAYRO-UHFFFAOYSA-N	321.398	3.133	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)C1Cc2ccccc2C1	1329518615	LRJRLIJSSVWZON-UHFFFAOYSA-N	313.744	3.230	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCN(CC2CC2)C1	1337784972	HKYTZVHPJUTFHF-BMFZPTHFSA-N	300.446	3.323	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCC[C@H](C(F)(F)F)C1	1352657289	BUJMCKFORFOVPU-ONGXEEELSA-N	317.307	3.083	10	20	DGCD	
CC(C)O[C@@H]1C[C@@H](N[C@@H](C)c2cc(C(=O)O)ccc2O)C1(C)C	1591695727	JNQOHXGHWZNAHJ-IUIKQTSFSA-N	321.417	3.333	10	20	DGCD	
C[C@H]1CCCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	1604730111	ICVXBFLDRHIULC-VFFGBVLKSA-N	304.346	3.319	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCC[C@@H]1CCOC1=O	177567050	IZZJIVVJVWTUGB-ZDUSSCGKSA-N	302.399	3.132	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2cnn(C)c2)cc1	119054822	KYLWVHRXNVAOAD-HNNXBMFYSA-N	322.412	3.319	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)COc2ccccc2)cc1Cl	121894729	GJOPNIOAGOYBKB-CQSZACIVSA-N	321.804	3.225	10	20	DGCD	
O=C(N[C@@H]1CCSc2c(F)cccc21)c1cccc(O)c1O	186923685	WPFMEUJYBKVVNM-GFCCVEGCSA-N	319.357	3.204	10	20	DGCD	
CC(C)C(=O)NCCN[C@@H](C)c1cc(Cl)c(Cl)cc1O	192604633	ZNHFNJWDKNFMHC-VIFPVBQESA-N	319.232	3.122	10	20	DGCD	
CC[C@H](NCc1cccc(N(C)C)n1)c1ccc(N(C)C)cc1	90851801	MOFJQYBCDJTIEM-SFHVURJKSA-N	312.461	3.455	10	20	DGCD	
Cc1c(CNC(=O)C(C)(C)c2cccnc2)n(C)c2ccccc12	348666768	NLAWCZAMNXCMOR-UHFFFAOYSA-N	321.424	3.476	10	20	DGCD	
Cc1c(CNC(=O)NCc2ccc(O)cc2)n(C)c2ccccc12	349353882	KSOPSPKTQYDYAF-UHFFFAOYSA-N	323.396	3.192	10	20	DGCD	
Cc1c(CNC(=O)N[C@H]2CCC[C@H]2F)n(C)c2ccccc12	454873283	KLKPRWATWQLQRU-KGLIPLIRSA-N	303.381	3.177	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3CCCSC3)CC2)cc1	367898262	FFEHFXKUSRVKSX-HNNXBMFYSA-N	320.502	3.397	10	20	DGCD	
C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O	276863154	CUSZUTFHNAUYTG-XHDPSFHLSA-N	307.340	3.445	10	20	DGCD	
C[C@H](NCCN(C)CC(F)(F)F)c1cc(Cl)ccc1O	273568018	KCELRNIEQZKVJA-VIFPVBQESA-N	310.747	3.190	10	20	DGCD	
CC(C)C[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	277394731	NSZKUZLAEOBAMF-NSHDSACASA-N	324.808	3.244	10	20	DGCD	
CCOc1cccc(CN[C@H](C)c2c(F)cncc2F)c1O	285477152	LEDXQZWCJAXOEW-SNVBAGLBSA-N	308.328	3.315	10	20	DGCD	
CCN(CC)C(=O)C[C@@H](C)NCc1c(C)c2ccccc2n1C	475188872	BTEGDDNVQLEJNK-CQSZACIVSA-N	315.461	3.223	10	20	DGCD	
C[C@@H](CCCO)CN[C@H](C)c1cc(Br)ccc1O	295859865	BKIGBWSWOSTGKW-WDEREUQCSA-N	316.239	3.214	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@@H](CO)c3ccccc32)c1O	293941543	OIRIOLODTMRPHO-LBPRGKRZSA-N	319.788	3.150	10	20	DGCD	
C[C@@H](CC(C)(C)O)N[C@H](C)c1ccc(Br)cc1O	296552930	RQJVQXOIYLXGBO-VHSXEESVSA-N	316.239	3.355	10	20	DGCD	
COc1cccc(N2CC[C@H](N[C@H]3CCc4cccc(O)c43)C2)c1	296225479	AHJOOFWKVUMHTQ-YJBOKZPZSA-N	324.424	3.257	10	20	DGCD	
Cc1noc([C@@H]2CCCN2Cc2cc(Cl)cc(F)c2O)n1	809721327	QDBHKTITLXSEKW-LBPRGKRZSA-N	311.744	3.213	10	20	DGCD	
COC[C@@H]1CCCCN(Cc2cc(Cl)c(F)cc2O)C1	816571072	RHUWHJJJOSAXBK-LLVKDONJSA-N	301.789	3.433	10	20	DGCD	
CC(C)COc1ccccc1C(=O)NCCc1ccc(N)cc1	818544668	GRFUEMMKMZEROJ-UHFFFAOYSA-N	312.413	3.276	10	20	DGCD	
CC[C@H](Nc1ccc(COCCO)cc1)c1ccccc1O	818362540	WOYXSAIZMPXFQZ-KRWDZBQOSA-N	301.386	3.464	10	20	DGCD	
CC(C)C[C@H](CN)N[C@@H](C)c1cccc(C(F)(F)F)c1O	817959891	WHVKONDROZCXQH-WDEREUQCSA-N	304.356	3.435	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@H](CO)c1ccccc1	824696746	RJTQONOKUDDNNT-OAHLLOKOSA-N	309.768	3.350	10	20	DGCD	
CC(C)C[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	588407821	ZNJAPRMTMOGTQX-LYASGUKUSA-N	303.402	3.396	10	20	DGCD	
C[C@H](NC(=O)[C@H](C)C(C)(C)C)c1ccc(N2CCOCC2)cc1	734390266	QEOXETLSZYURBQ-GJZGRUSLSA-N	318.461	3.383	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1	831447633	AVFUNFGQJADSRN-APWZRJJASA-N	324.424	3.095	10	20	DGCD	
C/C(Cl)=C/C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	901176158	NCYVMESSZNTOHA-UQTJOTSZSA-N	309.793	3.042	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)OCC(C)C	839918594	MWTADRYJEJJGQK-JKSUJKDBSA-N	320.477	3.169	10	20	DGCD	
CC[C@@H](NC(=O)c1cc(O)cs1)c1ccc2c(c1)OCCO2	731870853	ZXBDMWJUXRRRBC-GFCCVEGCSA-N	319.382	3.106	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ccn1	839921357	JPSOSHZAHWIPTK-HNNXBMFYSA-N	311.429	3.125	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)[C@@H](O)c1cccc(F)c1	840935291	KSKLCJGXTSSDSJ-AUUYWEPGSA-N	316.420	3.412	10	20	DGCD	
CCS[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841855467	PBTJABCBSPOXRM-HOTGVXAUSA-N	321.490	3.175	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1	743638758	UIBQGXBLCPMCRT-MJGOQNOKSA-N	323.440	3.183	10	20	DGCD	
CC(C)c1nc(-c2nc(Cc3ccc(N)cc3)no2)cs1	843159194	MHGVDLGSWYXEQB-UHFFFAOYSA-N	300.387	3.490	10	20	DGCD	
C[C@@H](CC1CCCCC1)NC(=O)NCCc1ccc(N)cc1	841887641	UOVQKAOWRGZDMA-AWEZNQCLSA-N	303.450	3.469	10	20	DGCD	
Nc1ccc(Cc2noc(-c3ccnn3C3CCCC3)n2)cc1	843158948	IZNPRVJJEXUGRM-UHFFFAOYSA-N	309.373	3.221	10	20	DGCD	
C[C@H](N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(N(C)C)cc1	848568696	OQBMUPNFLMXWMB-KFKAGJAMSA-N	301.478	3.420	10	20	DGCD	
C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C(C)(C)C	840759823	OBLQMWGJRPFDGZ-LBPRGKRZSA-N	312.404	3.326	10	20	DGCD	
COc1cccc([C@H](C)NCCc2cccc([N+](=O)[O-])c2)c1O	846156367	DWCDZKYHQLHYJI-LBPRGKRZSA-N	316.357	3.202	10	20	DGCD	
COc1cccc([C@H](C)NCc2c(C)cc(C)nc2OC)c1O	846142926	BWTBAXTVIFYQPV-ZDUSSCGKSA-N	316.401	3.272	10	20	DGCD	
C[C@H](N[C@H](CO)[C@H](C)c1ccccc1)c1ccc(F)cc1O	756713187	VWMMOGDFACQNTQ-IIYDPXPESA-N	303.377	3.347	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H](C)CCCO)c1	757440802	ZAVWTFGYALEZNB-CQSZACIVSA-N	314.429	3.293	10	20	DGCD	
C[C@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1	850558878	VAKMKBJBWVOOJM-GJZGRUSLSA-N	317.477	3.050	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32	926597590	ZUPXRWKYVHHMCD-XGLQPTFZSA-N	314.473	3.005	10	20	DGCD	
C[C@@H]1CCN(CCN[C@H](C)c2cc3c(cc2O)CCCC3)C1	756626257	BJUOXVZWHIXJBL-HUUCEWRRSA-N	302.462	3.263	10	20	DGCD	
CCC[C@H](OCC)C(=O)NCc1ccc(N(CC)CC)cc1	858604447	GTGZPUTZTOKDLG-KRWDZBQOSA-N	306.450	3.354	10	20	DGCD	
COc1ccc(CNCC2CCN(CC(F)F)CC2)cc1C	857784849	ZLEPDXYDBSDKBD-UHFFFAOYSA-N	312.404	3.070	10	20	DGCD	
CN(c1ccc(CNC(=O)N2CC(F)C2)cc1)C1CCCCC1	753130633	HKFMBJSIAUZQRS-UHFFFAOYSA-N	319.424	3.319	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC1CCC2(CC1)OCCO2	753698585	ZWLZSXRKIGBNTN-UHFFFAOYSA-N	317.429	3.381	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](O)CNCc1cc(Cl)ccc1O	850412057	SIPPYJTWBFXZSJ-SJCJKPOMSA-N	305.805	3.300	10	20	DGCD	
C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1cc([N+](=O)[O-])ccc1O	757629704	FSKGFSNVQRZTEW-QMTHXVAHSA-N	308.378	3.297	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@H](CN(C)CC3CC3)C2)c1	754735776	BJVSNLFNXFONRT-QGZVFWFLSA-N	302.462	3.173	10	20	DGCD	
C[C@@H](NC(=O)Nc1noc2c1CCCC2)c1ccccc1O	934347923	ABSAUHILQMDSTN-SNVBAGLBSA-N	301.346	3.142	10	20	DGCD	
CCOc1cccc(CN(C)[C@H]2C[C@](C)(OC)C2(C)C)c1O	769548146	FZGUDFPRWFUSQI-YJBOKZPZSA-N	307.434	3.426	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@H]2OCCC[C@H]2C1	1116443589	BPCWNSHOLWYHJX-PKOBYXMFSA-N	300.446	3.288	10	20	DGCD	
Cc1ccccc1OCCOC(=O)/C=C\c1ccc(O)c(O)c1	772777649	WUVGOPTURPLCHU-CLFYSBASSA-N	314.337	3.042	10	20	DGCD	
CCNC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cc1	775181829	WNZBCVLRNFGGRA-UHFFFAOYSA-N	315.392	3.254	10	20	DGCD	
COCC1(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1	777237162	HGFBERBNNJQTAJ-ZDUSSCGKSA-N	324.852	3.006	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H](O)Cc1ccccc1	1117364204	UKZKWOHVOLMPKR-DJIMGWMZSA-N	311.425	3.442	10	20	DGCD	
O=C(NCCCSc1ccc(F)cc1)c1cccc(O)c1O	776327223	HODXLJWDTYULAX-UHFFFAOYSA-N	321.373	3.149	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)COC(C)(C)C)C2CC2)cc1	777932892	DBTVNWCGQDRBSS-UHFFFAOYSA-N	304.434	3.059	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)Nc2cccc3c2N(C)C(=O)CO3)c1	883397579	PZQNECWXIATGRL-GFCCVEGCSA-N	312.369	3.229	10	20	DGCD	
COC(C)(C)CC(=O)Nc1c(-c2ccccn2)nc2ccccn12	784056686	WVBUMWXAGRFXAN-UHFFFAOYSA-N	324.384	3.150	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2COc3cc(F)cc(F)c32)c1O	894448954	NQITWVQMXMEGFN-CYBMUJFWSA-N	321.323	3.211	10	20	DGCD	
CC[C@H](C)[C@@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	792989103	YYZCTWVMNYGRAF-KBXCAEBGSA-N	318.461	3.305	10	20	DGCD	
COc1cccc(O)c1CNc1cccc2c1OCC[C@H]2OC	790486550	QFPYNYDVQHUDDY-QGZVFWFLSA-N	315.369	3.483	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCN3CCC[C@@H]3C2)cc1	1203938632	AHOGEZGKCGDWMW-LJQANCHMSA-N	301.478	3.203	10	20	DGCD	
Cc1nnc(CN(C)Cc2ccc(N3CCCC3)cc2)s1	1232245998	VNIROYLZJPKXBG-UHFFFAOYSA-N	302.447	3.079	10	20	DGCD	
FC(F)CN1CCC[C@@H]1CNCc1ccc(N2CCCC2)cc1	1334908000	KRHGWQLNKRUCNA-QGZVFWFLSA-N	323.431	3.106	10	20	DGCD	
COc1ccc(CNC2(c3ccc(F)cc3)CC2)c(O)c1OC	1333670760	MIVMPJLYFWEXEI-UHFFFAOYSA-N	317.360	3.327	10	20	DGCD	
Cc1ccc(CN(C)c2nnc(-c3sccc3O)n2C)s1	1262854840	XWQBDDTXHAZAEU-UHFFFAOYSA-N	320.443	3.256	10	20	DGCD	
CCn1c(C)cc(C(=O)CSc2ncc(C(=O)O)s2)c1C	1605904636	CYZTUMPUVVPUMZ-UHFFFAOYSA-N	324.427	3.255	10	20	DGCD	
C[C@@H](CCc1ccccc1F)C(=O)NCc1ccc(O)c(O)c1	158995556	CGMDLRNBCQZFJE-LBPRGKRZSA-N	317.360	3.122	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2ccccc2)CC1	28495158	SKJKDIMJWSXWHY-UHFFFAOYSA-N	308.425	3.443	10	20	DGCD	
CCN(Cc1cccc(F)c1)C(=O)CSc1nccs1	60737992	CEHQDFAKLATHNU-UHFFFAOYSA-N	310.419	3.423	10	20	DGCD	
Oc1cc2c(cc1CNCc1ccccc1OC(F)F)OCO2	63255921	KOBOOFZYKWXCAI-UHFFFAOYSA-N	323.295	3.012	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC1CCSCC1	66702460	VDSKFSDUCMKJJM-UHFFFAOYSA-N	308.447	3.209	10	20	DGCD	
COc1cccc(CNC(=O)Cc2cccc3ccccc23)c1O	68488766	FDAAMLMFCQBETK-UHFFFAOYSA-N	321.376	3.413	10	20	DGCD	
CC(C)C[C@H](C)OCCC(=O)NCc1ccc(N(C)C)c(F)c1	87209983	IDWFSBFHJZYZOJ-AWEZNQCLSA-N	324.440	3.349	10	20	DGCD	
C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1	121691426	GGOGIDITOYIILC-HNNXBMFYSA-N	308.425	3.489	10	20	DGCD	
C[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(N2CCOCC2)cc1	155670580	MVAABIRFKNRANE-CAMMJAKZSA-N	312.457	3.386	10	20	DGCD	
COc1ccc(CCN[C@H](C)c2ccc(F)cc2O)cc1OC	170788737	ZHGROXIAZHGACU-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
COc1ccc(N(Cc2ncnn2CC(C)C)C(C)C)cc1F	182867272	VGBWDDCPOAENDG-UHFFFAOYSA-N	320.412	3.497	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2ccccc2C)c1	185185946	YURNRILNNKGFGT-AWEZNQCLSA-N	301.386	3.439	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1O	186189737	WWABCROATLMCJR-PIGZYNQJSA-N	307.340	3.229	10	20	DGCD	
CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	186200372	ZRNUNENGKJJBTP-KDOFPFPSSA-N	302.418	3.160	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CCOC[C@@H]3C)cc2)CC1	192557211	DQCMPDYESOKVIK-QFBILLFUSA-N	302.462	3.438	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccccc2-n2cccn2)c1	194374219	OZHAHVUOISOQRU-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
COc1cccc(CN[C@@H](COCC(C)C)c2ccco2)c1O	237231546	KMKUPDACWWZZPL-HNNXBMFYSA-N	319.401	3.497	10	20	DGCD	
CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(O)c1O	266214908	OHLGMMZJYMQGTG-INIZCTEOSA-N	318.417	3.031	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)C[C@@H]1C	270658273	SJUUBVDHHHMRBY-KSSFIOAISA-N	316.445	3.106	10	20	DGCD	
CCCN(Cc1cnc(N(C)C)s1)c1ccc(CN)cc1	278313769	FKHXALKBDMYQJA-UHFFFAOYSA-N	304.463	3.084	10	20	DGCD	
CC[C@@H](NCC1([S@@](C)=O)CCC1)c1ccc(N(C)C)cc1	281104321	QYVQAEZPFCJUNM-IIBYNOLFSA-N	308.491	3.095	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccco2)Cc2cncn2C)cc1	289872879	RJYJVHSICNSOBN-UHFFFAOYSA-N	324.428	3.282	10	20	DGCD	
COCCC(C)(C)C(=O)NCc1c(C)c2ccccc2n1C	348664286	VMGQSXQSPROGJQ-UHFFFAOYSA-N	302.418	3.166	10	20	DGCD	
CC1(CNCc2ccc3c(c2)CCN3Cc2ccccc2)COC1	375786718	FIIPMQPIXIORBE-UHFFFAOYSA-N	322.452	3.375	10	20	DGCD	
Cc1ccc([C@@H](C)NCC2CN(C(=O)OC(C)(C)C)C2)c(O)c1	397858748	DGTVJMDMOSDETP-CYBMUJFWSA-N	320.433	3.218	10	20	DGCD	
CC[C@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1O	527996748	FRIIQQWAZIBQMU-RDJZCZTQSA-N	310.397	3.305	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](c2ccccc2)C1	588404651	IEFPCAXRDKFKFM-GQSKFBFOSA-N	309.365	3.127	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(Br)c1O)C(C)(C)O	708197372	PCERCBIXGFMUEF-ZETCQYMHSA-N	322.630	3.057	10	20	DGCD	
O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cc(O)cs1	732286337	RAEYOPIMMDQMAC-INIZCTEOSA-N	310.378	3.368	10	20	DGCD	
Cc1cc(CC(=O)N2CC(F)C2)c(C)n1-c1ccc(Cl)cc1	753071774	SLGHQVCMJWYKQD-UHFFFAOYSA-N	320.795	3.470	10	20	DGCD	
CCN(CC1CCC2(CC1)OCCO2)c1ccc(OC)cc1	753737480	GRGYAKQACZDOLF-UHFFFAOYSA-N	305.418	3.455	10	20	DGCD	
O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc(O)cs1	765419503	AOXKGWLGDLPFSC-ONEGZZNKSA-N	319.367	3.321	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(O)c(F)c1	768252598	BLAOSYZHOSXJGT-UHFFFAOYSA-N	303.333	3.289	10	20	DGCD	
CCOC(=O)CN(CC)Cc1cc(-c2ccccc2)ccc1O	769004470	IHOCMAMAHPTJFQ-UHFFFAOYSA-N	313.397	3.444	10	20	DGCD	
CC(C)[C@@](C)(O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	771104437	PWRDXCPJVOUARA-LJQANCHMSA-N	318.461	3.042	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC2C[C@@H](C)C[C@H](C)C2)c1O	775028252	OPZYWSMLCIWXSH-QWRGUYRKSA-N	308.378	3.223	10	20	DGCD	
COc1ncc(/C=C/C(=O)N2CC[C@@H](C)c3ccccc32)cn1	775799709	MBBGXKOLGYKTLY-SBDDDAINSA-N	309.369	3.039	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)ccc1O	776748492	LEQRZUZDBNMNDK-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)C1CCCCCC1	788958868	WYFSVKXCPMIOFZ-CSKARUKUSA-N	318.369	3.194	10	20	DGCD	
CCCOc1cccc(C(=O)NCc2ccc(OC)cc2O)c1	794387821	MMCSNEJTXZDDNF-UHFFFAOYSA-N	315.369	3.120	10	20	DGCD	
CC[C@H](NCc1n[nH]cc1Br)c1ccc(C)cc1O	794800349	CVHWMSMZKMPGJA-LBPRGKRZSA-N	324.222	3.427	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCCC12CCOCC2	800478658	NSPDXUSOPODRAC-GOSISDBHSA-N	302.462	3.500	10	20	DGCD	
Cc1cccc2c1OC[C@H](NCc1cccc(Cl)c1O)C2	811517923	DIHDIMXKBPGFSP-CQSZACIVSA-N	303.789	3.447	10	20	DGCD	
CCOc1ccc(CNc2cccc(OC(=O)NC)c2)c(O)c1	813791992	NFAJQMSOOJKKPE-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
COCCCN(CCOC)Cc1ccc2ccccc2c1O	816494351	HZMMRADRZNJVGB-UHFFFAOYSA-N	303.402	3.030	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C(F)F	817224688	WBOKAFWFMBTLNR-DYLHUKMJSA-N	319.307	3.234	10	20	DGCD	
Cc1cc([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)cs1	817940001	DSRDFWRRSXIWIV-GUYCJALGSA-N	303.475	3.473	10	20	DGCD	
O[C@@H](CNCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1	819096150	XQNVINQPJKXVQZ-IBGZPJMESA-N	312.388	3.025	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C)c1ccccc1O	827940483	DPGVMFGVVPHELE-SCRDCRAPSA-N	303.402	3.211	10	20	DGCD	
C[C@@H](NC(=O)c1cccc([C@H]2CCOC2)c1)c1ccccc1O	827941912	ZYDLWJFVWPDZLT-CJNGLKHVSA-N	311.381	3.387	10	20	DGCD	
COc1ccc(O[C@@H](C)CN[C@H]2CCc3cccc(O)c32)cc1	834606213	GGJZAUQNXZPYRR-GUYCJALGSA-N	313.397	3.445	10	20	DGCD	
C[C@@H](CC1CCC1)NCc1cc(F)c(N2CCOCC2)c(F)c1	839146100	WKRIYEYBZDQUCL-ZDUSSCGKSA-N	324.415	3.470	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=S)NC(C)(C)C	840870661	TWBGYACUFQSNCV-ZDUSSCGKSA-N	307.507	3.255	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccccc2C2CC2)cc1	841044661	DZOWQIYQHKNBHW-HXUWFJFHSA-N	309.457	3.420	10	20	DGCD	
CCn1cncc1CN(Cc1ccc(N(C)C)cc1)C(C)C	841831690	YMWADONKRXTHJP-UHFFFAOYSA-N	300.450	3.380	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc(NC(C)=O)cc2)c1O	846136325	KMZFKRPAENYOJI-LBPRGKRZSA-N	314.385	3.210	10	20	DGCD	
O=[N+]([O-])c1cc(CN[C@@H]2C=CCC2)ccc1N1CCCCC1	850358064	FPEFGNALWZSKDP-OAHLLOKOSA-N	301.390	3.393	10	20	DGCD	
C[C@H](NC[C@@H](O)[C@@H](C)c1ccccc1)c1ccc(F)cc1O	850573482	MQUJONXAZGUTOW-ZJNRKIDTSA-N	303.377	3.347	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC2CCN(CC3CC3)CC2)c1	850584078	QGKZQSSAMCPIEX-CQSZACIVSA-N	318.461	3.173	10	20	DGCD	
COc1cccc(CCNC(=O)N[C@H](C)c2ccccc2O)c1	868055722	DLQHKZFGKVZOKC-CYBMUJFWSA-N	314.385	3.004	10	20	DGCD	
COc1ccc(N2CCC(NCc3cc(C)ns3)CC2)cc1	876998490	IHJSGXQMCZGTEG-UHFFFAOYSA-N	317.458	3.219	10	20	DGCD	
Cc1ccc(CNC[C@H](O)c2c(F)cccc2Cl)c(O)c1	877057972	BSAGUXCPVQYNAD-HNNXBMFYSA-N	309.768	3.316	10	20	DGCD	
CN(C(=O)c1c(C(F)F)nc2n1CCCC2)c1ccc(N)cc1	877076462	MWNXQUJJHUMXGN-UHFFFAOYSA-N	320.343	3.016	10	20	DGCD	
CSC1CCN(Cc2ccc(Br)cc2O)CC1	877663483	RXEXPKNYPALIQE-UHFFFAOYSA-N	316.264	3.482	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccco2)c(C)n1-c1ccccn1	914846777	SNCPLJQGZSHNLV-UHFFFAOYSA-N	309.369	3.354	10	20	DGCD	
CC(=O)Nc1ccc(CCNCc2ccc3c(c2)CCCO3)cc1	921680706	OANJWAVLDBBIDL-UHFFFAOYSA-N	324.424	3.302	10	20	DGCD	
COCC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccco1	921981280	SLLZJLYWWQQWFX-MRXNPFEDSA-N	301.386	3.472	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]1OC	1120734546	MENFJPANSZQPIL-WBVHZDCISA-N	305.418	3.336	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2noc(C)n2)cc1F	1324454674	FXKXCOUHQRSBPH-LLVKDONJSA-N	306.385	3.214	10	20	DGCD	
CNCCc1ccccc1C(=O)N1CCCc2ccc(OC)cc21	1578715789	HFBWMMWWTHBICM-UHFFFAOYSA-N	324.424	3.050	10	20	DGCD	
CCC(CC)(CC(=O)O)NCc1cc(Cl)cc(OC)c1O	1595057353	QCBFHVIVIRBJDM-UHFFFAOYSA-N	315.797	3.177	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)cc1Cl	1600285839	HKQRFEWAWJOQGS-JKOKRWQUSA-N	309.793	3.039	10	20	DGCD	
CCN1CCCc2cc(CNCC3(CC(=O)O)CCC3)ccc21	1776875522	MKZWNFRDCCPYPC-UHFFFAOYSA-N	316.445	3.194	10	20	DGCD	
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(C)c2O)C1	179938281	MZJLKAXHTZRSFD-NVXWUHKLSA-N	318.461	3.217	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(C)c2O)C1	179938296	MZJLKAXHTZRSFD-DOTOQJQBSA-N	318.461	3.217	10	20	DGCD	
CC(C)C[C@H](CCO)CN[C@H](C)c1ccc(F)c(F)c1O	187742418	RJDVTBMTVBUYDT-NEPJUHHUSA-N	301.377	3.366	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1	65508308	YSWCZSZHTJYSDG-JKSUJKDBSA-N	314.360	3.229	10	20	DGCD	
C[C@H](NC[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1O	185370016	LHLKRFOSIZHFOS-SWLSCSKDSA-N	305.805	3.300	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCCOCC2)c(C)n1-c1ccccc1	180996544	VYEXJTPKZKQGPQ-INIZCTEOSA-N	312.413	3.393	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)C[C@H](C)O)c2C)c1	125997798	OJYIKJYGVHKIGB-HNNXBMFYSA-N	314.429	3.164	10	20	DGCD	
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1c(C)noc1C	123890049	ZXGULCSBIKTOEA-UHFFFAOYSA-N	324.402	3.230	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(F)cc1O	184984098	PRNGECOXAYHRCP-ZDUSSCGKSA-N	315.392	3.377	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@H](c1ccco1)N1CCCC1	180393936	MYHWBGJCJACSBH-OAHLLOKOSA-N	304.365	3.051	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ccccc2n1	183425940	VBJNPNIVQULCCH-GFCCVEGCSA-N	322.364	3.007	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1n1ccnc1	246773554	PZHIOQPXSALXDU-IUODEOHRSA-N	305.809	3.325	10	20	DGCD	
C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccccc1O	266552316	MOOREKAYVCENGE-CYBMUJFWSA-N	301.361	3.416	10	20	DGCD	
CC(C)[C@@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	265968119	SXBCLRTUYRYVHE-OAHLLOKOSA-N	301.434	3.249	10	20	DGCD	
Cc1cccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)c1O	278554941	DXINNHXUGWIIDV-UHFFFAOYSA-N	311.385	3.144	10	20	DGCD	
CC(C)(C)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	279951289	CYGPGAASKVIZPV-KGXGESDWSA-N	303.402	3.396	10	20	DGCD	
CN(C)c1ccc(CNCC2CCOCC2)c(C(F)(F)F)c1	280924564	PWEXBXSTNNFTEU-UHFFFAOYSA-N	316.367	3.288	10	20	DGCD	
Cc1oc(C(C)C)nc1C(=O)N(C)Cc1ccc(N(C)C)cc1	285475499	OBIPJGUZGHBAFX-UHFFFAOYSA-N	315.417	3.445	10	20	DGCD	
COc1cccc(CN[C@H](CCO)c2ccc(Cl)cc2)c1O	288481054	PVMYIDQXRKTEER-OAHLLOKOSA-N	321.804	3.268	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnc(Cl)cn1	283109829	UJGVQCBBGXAKEC-UHFFFAOYSA-N	319.792	3.278	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1cnns1	296523306	MVECXUUAMDQYSW-UHFFFAOYSA-N	302.447	3.160	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCOC[C@@H]2CCOC2)c1O	808695528	OANOFMCZKVWLBA-CHWSQXEVSA-N	313.825	3.058	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(OC)ccn1	801545209	KBODSDAZRBBWOK-UHFFFAOYSA-N	314.385	3.238	10	20	DGCD	
CCc1cc(=NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc[nH]1	819934577	LBCBEUWZYPVDJE-HNNXBMFYSA-N	311.429	3.013	10	20	DGCD	
CC[C@H](O)CNCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	819291195	RAYYDUOFQLCQDL-ZFWWWQNUSA-N	310.869	3.437	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H](CO)Cc3ccccc32)cc1F	814169679	LGZNWVWLOBVSEJ-OAHLLOKOSA-N	314.404	3.063	10	20	DGCD	
CC[C@H](N[C@@H]1CCNC2(CCC2)C1)c1ccc(N(C)C)cc1	817987216	YHZSZBASKUJOGD-AEFFLSMTSA-N	301.478	3.468	10	20	DGCD	
CCc1cc(=NCCc2ccc(O)c(O)c2)c2ccccc2[nH]1	811811607	YMVZVNDIQDJWOB-UHFFFAOYSA-N	308.381	3.285	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2C2CCOCC2)ccc1N(C)C	815084316	AWWVDCIFJLRERB-LJQANCHMSA-N	302.462	3.452	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@H]([C@H]2CCCCO2)C1	827377066	OOTWAYUAZDXYFA-WMLDXEAASA-N	305.418	3.182	10	20	DGCD	
Cc1cc(O)c(CN2CCC(O)(C(F)(F)F)CC2)cc1Cl	825450136	AZFKPBVTPYFQDN-UHFFFAOYSA-N	323.742	3.243	10	20	DGCD	
O=C(/C=C\c1ccc(O)cc1)NCCCSc1nccs1	588465659	UEILXYBGEJFINZ-DAXSKMNVSA-N	320.439	3.161	10	20	DGCD	
CC[C@H](NC(=O)c1sccc1-n1c(C)ccc1C)[C@@H](C)O	836860826	NMLKUPLNQSSAOT-OLZOCXBDSA-N	306.431	3.045	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)N[C@@H]2CCC[C@H]2O)c1O	834914558	NVVZAMHDIXHAIK-OASPWFOLSA-N	314.223	3.027	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@](C)(O)C1CC1	743715198	JGTSVQNHSUDZAX-QGZVFWFLSA-N	318.442	3.046	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1ccc(N2CCCC2)nc1	843058173	NHRIVSJKGPPOIQ-UHFFFAOYSA-N	322.456	3.093	10	20	DGCD	
CCc1ccnc(CNC(=O)NCc2cc(Cl)ccc2O)c1	845170798	PIPSUIQPQFNRMA-UHFFFAOYSA-N	319.792	3.002	10	20	DGCD	
CC(C)Cc1cc(-c2nc(Cc3ccc(N)cc3)no2)cc(O)n1	843159288	OFGSSYPTWOPSIG-UHFFFAOYSA-N	324.384	3.209	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)cc1	842886658	TVZINZWPAYUUST-WMLDXEAASA-N	317.477	3.193	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN2CC(C(=O)O)C2)cc1	840999446	WZGKNZMCFDOSCF-UHFFFAOYSA-N	324.424	3.230	10	20	DGCD	
COC/C(C)=C/C(=O)N(Cc1ccco1)Cc1ccccc1O	845792809	KCYRUAJDBSXQSZ-GXDHUFHOSA-N	315.369	3.107	10	20	DGCD	
CCc1ccc(CN(C)c2ccc(OCC(=O)OC)cc2)o1	753592450	YMLYWAKSSZOQJJ-UHFFFAOYSA-N	303.358	3.030	10	20	DGCD	
C[C@H](NCCCN1CCCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1O	756363660	QCZQDTLRLTUVAM-KBPBESRZSA-N	321.421	3.216	10	20	DGCD	
C[C@@H]1CN(c2ccc(CNC[C@@H]3C[C@H]3C)cc2F)C[C@@H](C)O1	754130941	TWYOMMJYZXIZON-KQTLUZQSSA-N	306.425	3.185	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc2c1CCNC2	852825297	NCXLNSXMVJIQLS-UHFFFAOYSA-N	324.424	3.090	10	20	DGCD	
COc1ccc(CCN[C@H](C)c2cc(F)ccc2O)c(OC)c1	756494831	HSZOBICTHQIPJY-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCOC(C)(C)C	852550770	FPKRWGPGMZNCNN-UHFFFAOYSA-N	321.465	3.065	10	20	DGCD	
C[C@H]1C[C@H](N[C@@H]2c3ccccc3C[C@@H]2O)c2c(O)ccc(F)c21	756461083	VBKBWIPSKXSEFO-MQAVGNRSSA-N	313.372	3.328	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](CO)[C@@H](C)c2ccccc2)c1	756711474	LCWXJEPPUDWCLD-DEYYWGMASA-N	315.413	3.216	10	20	DGCD	
CO[C@H]1C[C@H](N[C@@H](C)c2cc(Br)c(F)cc2O)C1	858584103	MFVVBBJIJWFBHV-CIUDSAMLSA-N	318.186	3.122	10	20	DGCD	
COc1ccc2c(c1)CC[C@H](NCc1cc(F)ccc1O)C2	753576343	RAMRIYBAGWHFOD-INIZCTEOSA-N	301.361	3.187	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@H](C)C2)cc1	752005458	QOINQFPAPWLRJI-HUUCEWRRSA-N	303.450	3.330	10	20	DGCD	
CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC(C)(C)C1	767516297	QOSUJJARVDSRSK-HNNXBMFYSA-N	305.418	3.076	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCSC1	761855515	OLDWEQLCEKBRAA-INIZCTEOSA-N	318.486	3.388	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3CS[C@H](C)C3)C2)cc1	877597887	BQVSDEXWIOWEJO-RBSFLKMASA-N	306.475	3.005	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCCC2)cc1)[C@H](O)C(F)(F)F	1116425118	TYNGBRSIEAQIFB-CABCVRRESA-N	316.367	3.078	10	20	DGCD	
C[C@H]1C[C@H](NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2c(O)ccc(F)c21	873263690	KBPUHFMBMOKQLK-AIUMHDJVSA-N	304.409	3.200	10	20	DGCD	
CO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1	772992772	AOTKCCPVLZAKKV-KSSFIOAISA-N	312.413	3.318	10	20	DGCD	
Cc1noc(C)c1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775585895	LNDRVXSGEZSLSM-JTQLQIEISA-N	302.378	3.240	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN(CC2CC2)C1)c1c(O)cccc1F	886639840	MRBKWGMSHOAFDY-HIFRSBDPSA-N	306.425	3.304	10	20	DGCD	
C[C@@]1(c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)COC(=O)N1	883329663	PHAKZUOGDPBBTG-BEFAXECRSA-N	324.380	3.447	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@@H]3CCCN3c3ccccc32)c(O)c1O	780937854	GVFUICNCQPJNKW-ZDUSSCGKSA-N	324.380	3.035	10	20	DGCD	
Cc1ccc(C[C@@H](CO)NCc2cc(Cl)cc(F)c2O)cc1	786578825	JHSUWIDLAOYBNZ-HNNXBMFYSA-N	323.795	3.186	10	20	DGCD	
Nc1ccc(CNC(=O)NCCC[C@H]2CC2(Cl)Cl)cc1	1120641118	YYLXUQZTRAKUOW-NSHDSACASA-N	316.232	3.042	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2cc(C)cc(OC)c2O)C12CCC2	894267606	BAMJZJKHQFVESI-JKSUJKDBSA-N	305.418	3.147	10	20	DGCD	
COc1cc(C)cc(CNCCCCN2CCCC[C@@H]2C)c1O	894180756	PXBASOIOENSFLX-INIZCTEOSA-N	320.477	3.453	10	20	DGCD	
C[C@H](N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1O	1169733704	WXVWPFNUKNLYAD-DOTOQJQBSA-N	324.424	3.348	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCN2CC=CC2)c1	1318764476	BHPSJUAFWYOBHK-UHFFFAOYSA-N	323.440	3.004	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](CCO)C1CCOCC1	1325506485	PZNZITIEBGZUJG-BMFZPTHFSA-N	319.445	3.016	10	20	DGCD	
CO[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	1336439862	WRKAQJPDWHUOTA-ROUUACIJSA-N	318.461	3.305	10	20	DGCD	
Cc1cc(C(=O)CSCC(=O)O)c(C)n1-c1ccc(F)cc1	1610434418	CXYPXCMYMGYRFI-UHFFFAOYSA-N	321.373	3.234	10	20	DGCD	
C[C@H](NC(=O)c1cc(C(=O)O)ccc1Cl)c1ccccc1O	1599899485	HTXSWZAEFSVNFJ-VIFPVBQESA-N	319.744	3.235	10	20	DGCD	
CCc1cnc(CCN[C@@H](C)c2cc(C(=O)O)ccc2O)s1	1597627057	ANTAMDHOYCBMJO-JTQLQIEISA-N	320.414	3.003	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2O[C@H](C)C(=O)O)cc1	1599583774	AMVFCEMHIOQMAX-CYBMUJFWSA-N	315.369	3.184	10	20	DGCD	
C[C@H](COc1ccccc1)N[C@H](C)c1cc(C(=O)O)ccc1O	1592782804	MBPSHKDUXAPRPV-CHWSQXEVSA-N	315.369	3.209	10	20	DGCD	
CN(C)c1ccc2c(c1)CN([C@@H](C(=O)O)c1ccccc1)CCC2	1777041243	UAMLAODIGBMSJC-LJQANCHMSA-N	324.424	3.327	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc3ncsc3c2)cc1	15134517	KRJLNMBFOFOBOJ-UHFFFAOYSA-N	311.410	3.292	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1csc(COC)n1	66097131	KHMADFSWZNSIHY-UHFFFAOYSA-N	320.414	3.048	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1ccc2c(c1)OCCO2	83551403	HWMBALSGRARROU-UHFFFAOYSA-N	305.761	3.107	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1F	84815183	SHQXXMUMQMZQLK-UHFFFAOYSA-N	320.408	3.063	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)CCOC(C)C)cc2)CC1	108296313	LXMKZULUZKELFF-UHFFFAOYSA-N	318.461	3.354	10	20	DGCD	
Cn1cc(/C=C/C(=O)N(CC(F)(F)F)c2ccccc2)cn1	117655311	VAVBSASLCHDVLK-BQYQJAHWSA-N	309.291	3.029	10	20	DGCD	
CCNC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1	127287370	NARQMHGVQRWPSK-UHFFFAOYSA-N	304.777	3.407	10	20	DGCD	
C/C=C/C=C/C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	153953255	WDIWVKZKRJRULW-APFFIMBESA-N	301.386	3.032	10	20	DGCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)CCO1	183003584	PBULEZLURCYPBU-DZGCQCFKSA-N	321.417	3.120	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2ccc(N(C)C)cc2)c1	183376161	PHEOXDHODMJWLC-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H]2CCCO[C@@H]2CC(C)C)c1	185195586	OBKFSBMZKIHWLM-FUHWJXTLSA-N	307.434	3.474	10	20	DGCD	
C[C@@H](NCCOCC(F)F)c1ccc(Br)cc1O	188757194	DDNMTUKRIWIRSB-MRVPVSSYSA-N	324.165	3.087	10	20	DGCD	
CCC1=C(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCCO1	189553412	YANWIIFYYLUKEK-LLVKDONJSA-N	305.374	3.053	10	20	DGCD	
CC(=O)CC(C)(C)CC(=O)NCc1ccc2c(c1)CCCN2C	191798290	GNJGJDSDZGTQMI-UHFFFAOYSA-N	316.445	3.081	10	20	DGCD	
CC(C)Oc1ccc(NC(=O)c2cccc(O)c2O)cc1C#N	193142732	APBQQTREAHRKFL-UHFFFAOYSA-N	312.325	3.009	10	20	DGCD	
Cc1ccccc1OCCCN(C)C(=O)Cc1ccc(N)cc1	237112994	JZXXNPRHKLSZBJ-UHFFFAOYSA-N	312.413	3.047	10	20	DGCD	
C[C@H](CCc1cccc(F)c1)C(=O)NCCc1ccc(N)cc1	237502777	CTLHILSNNGYBBR-CQSZACIVSA-N	314.404	3.336	10	20	DGCD	
CCOc1cccc(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)c1O	270676036	RNSJCRSJBMWSEW-GOEBONIOSA-N	307.434	3.474	10	20	DGCD	
CC(C)[C@@H]1C[C@H](CC(=O)N(C)Cc2ccccc2O)CCO1	272899483	XURUYSVINRXWQW-PBHICJAKSA-N	305.418	3.192	10	20	DGCD	
C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O	279255627	IRDIDQALHSYHTN-UKRRQHHQSA-N	311.381	3.191	10	20	DGCD	
CC[C@H](NC[C@H](O)Cc1ccccc1)c1ccc(F)cc1O	286239911	TYJUETSKFAEMJN-WBVHZDCISA-N	303.377	3.176	10	20	DGCD	
CC[C@H](NCC1CCN(C2CC2)CC1)c1ccc(F)cc1O	287355509	GYURUVMMVAZGFK-KRWDZBQOSA-N	306.425	3.446	10	20	DGCD	
CCOc1cccc(CNCCCCCN2CCCC2)c1O	292940371	HVFJQTAMUXHQHJ-UHFFFAOYSA-N	306.450	3.147	10	20	DGCD	
COc1cccc(CN[C@@H](c2ccccc2)c2cnn(C)c2)c1O	374607845	BQJUDWVVOXYRSH-SFHVURJKSA-N	323.396	3.014	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C(C)(C)C3CC3)CC2)cc1	376605800	HWIJTYKELUNTIT-UHFFFAOYSA-N	316.445	3.170	10	20	DGCD	
C[C@H](Cc1ccccn1)NCc1cc(Br)ccc1O	694082129	OKORWBMUFQJZBU-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCc3cccnc3)sc2n1	733417827	DZEISMDHMSHQKY-UHFFFAOYSA-N	313.382	3.247	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](C)CN2CCCC2)cc1F	740003897	ASJXOEBTNIMMLX-MRXNPFEDSA-N	321.484	3.493	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1ccccc1)c1cc(F)cc(F)c1O	756571683	IYGPHZSLOPCROJ-DIFFPNOSSA-N	307.340	3.229	10	20	DGCD	
CN1CCCc2cc(CNC(=O)C3Cc4ccccc4C3)ccc21	761669261	JDCWWMRCQKARMD-UHFFFAOYSA-N	320.436	3.100	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CCO)C(C)C	765851662	PMLRLYULNPACCI-AWEZNQCLSA-N	320.458	3.292	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1C	766775591	GJPZEHSDEMGVJV-CABCVRRESA-N	315.461	3.257	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(O)c(F)c1	767303503	ZNJYHCGMLRVOAC-UHFFFAOYSA-N	314.360	3.062	10	20	DGCD	
COCC[C@H](Cc1ccco1)NCc1ccc(N(C)C)cc1	784625969	SEYPLFVGBKIADZ-MRXNPFEDSA-N	302.418	3.083	10	20	DGCD	
C[C@@H]1c2nncn2CCN1Cc1cc(-c2ccccc2)ccc1O	792186042	FVZQZYUEIGSWPB-CQSZACIVSA-N	320.396	3.228	10	20	DGCD	
CCN(CC)c1ccc(CNCCC(C)(C)C(=O)OC)cc1	792922389	XZXZECBYMBVVPU-UHFFFAOYSA-N	306.450	3.212	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCCC(C)(C)C2)c(O)c1	793067270	NISFKBDOMRVYDD-CYBMUJFWSA-N	306.406	3.169	10	20	DGCD	
CCOc1ccc(CN2CCC3(CC(OCC)C3)C2)c(O)c1	809707922	SFURPEBVXURQMU-UHFFFAOYSA-N	305.418	3.182	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@]3(CCN(C)C3)C2)cc1	814178503	SKQKYFKBJFETDF-IBGZPJMESA-N	301.478	3.060	10	20	DGCD	
C[C@H](NC[C@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1O	815562153	YNUXXUAMJBPNJY-IINYFYTJSA-N	316.367	3.402	10	20	DGCD	
Cc1ccc([C@H](O)CNCc2cc(Cl)c(F)cc2O)cc1	816537552	ITUMSDBHHWZWQM-MRXNPFEDSA-N	309.768	3.316	10	20	DGCD	
COc1ccc2c(c1)[C@H](NCCc1ccc(N)cc1)CCCO2	817955468	BPMLCGSZUILSLW-GOSISDBHSA-N	312.413	3.323	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@H](C)c2ccc(F)cc2O)s1	818355876	KJRJERYOXDVQRX-RKDXNWHRSA-N	324.377	3.186	10	20	DGCD	
Cc1cc(Br)c(O)c(CNCc2cnccc2C)c1	824908640	AXDSAWJBHWYJGG-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2CO)c(C(F)(F)F)c1	825188990	VFACLGMOOWNBJL-IUODEOHRSA-N	316.367	3.022	10	20	DGCD	
Cc1cc2c(cc1C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)CO2	827940612	GKCIWVMJMMZTRF-CJNGLKHVSA-N	311.381	3.362	10	20	DGCD	
CCn1nnc(C)c1CSc1ncc(-c2ccccc2)n1C	828808695	VRTQLOLNAYNIEX-UHFFFAOYSA-N	313.430	3.299	10	20	DGCD	
Cc1ccc(F)c(NC(=S)NNc2cccc(C(=O)O)c2)c1	833749804	WFZWBTVWJPKOQB-UHFFFAOYSA-N	319.361	3.146	10	20	DGCD	
COc1ccc(CNC(=O)Nc2c(C)cc(C)nc2C)c(O)c1	836630950	CHKKJTUENBTZJA-UHFFFAOYSA-N	315.373	3.043	10	20	DGCD	
CC[C@H]1CCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O	838648313	HFUXKVLRGXDRMV-QWHCGFSZSA-N	306.406	3.026	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cc2n(n1)CCC2	840720555	OCHFKJBVYXRYDA-CQSZACIVSA-N	310.445	3.063	10	20	DGCD	
COCC1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	840876663	RSDBRHGCJSNKQN-PNESKVBLSA-N	308.378	3.156	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1c[nH]nc1C	840893333	ITNQUYXYZCIIDQ-KBPBESRZSA-N	300.450	3.374	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2csnn2)cc1F	840969799	KHVQTQZBPMTQBK-LLVKDONJSA-N	308.426	3.374	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCCNCC2)c(C(F)(F)F)c1	841058753	UAJUBADHVMBKNZ-ZDUSSCGKSA-N	315.383	3.003	10	20	DGCD	
CC(C)c1ncsc1NC(=O)NCCc1ccc(N)cc1	841258354	DIKFTHLPSUTMST-UHFFFAOYSA-N	304.419	3.213	10	20	DGCD	
COc1ccc(C[C@@H](C)CNC(=O)Nc2ccc(N)cc2)cc1	841298895	SZAZADWSVNOVEP-CYBMUJFWSA-N	313.401	3.278	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(OC)c(OC)c2OC)cc1	845997667	BKJKXXYUMNIMFW-UHFFFAOYSA-N	317.385	3.357	10	20	DGCD	
C[C@@H]1C(=O)CC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1(C)C	846474168	RREGISBYVHWQJY-ZWNOBZJWSA-N	323.820	3.303	10	20	DGCD	
COc1ccc(N2CCC(NC3[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)CC2)cc1	850392980	PCEVYDKZVLJGJE-YXUGBTPSSA-N	312.457	3.298	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C	850558715	TXXRUSXEMGZFMP-LSDHHAIUSA-N	318.461	3.307	10	20	DGCD	
COC(=O)c1cnc(S[C@H](Cc2ccccc2)C(C)=O)s1	871674351	WGDSFVXFVCPQLI-GFCCVEGCSA-N	321.423	3.222	10	20	DGCD	
COc1cc(C)cc(CNc2ccc3c(c2)OCCCO3)c1O	894196791	CDTOXNHTPGECAB-UHFFFAOYSA-N	315.369	3.483	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)OCC2CC2)cc1	920773246	LNQHIBJBPWUYOK-HNNXBMFYSA-N	318.461	3.306	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CN[C@@H](C)c3cnn(C)n3)c2C)c1	926765648	XZZMTQPKIJTVQO-HNNXBMFYSA-N	323.444	3.382	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3ncccc3C)CC2)cc1	1116461707	YGXCORWORCVHEJ-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@]1(N(C)C)CCSC1	1320118882	SXJRVIJUUBIIFR-QWQRMKEZSA-N	320.502	3.276	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC[S@](=O)C(C)(C)C	1323829958	AUSOZHZXDAGDGA-BHVCSQLQSA-N	309.475	3.386	10	20	DGCD	
COc1cc(C2(C(=O)NCc3ccc(N)cc3)CCC2)ccc1C	1343565798	ANHCQYFWAVQQHR-UHFFFAOYSA-N	324.424	3.324	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@H]1CC[C@@H]1c1ccc(F)cc1	1521851081	GAAVVYHBURMZPP-CABCVRRESA-N	315.344	3.047	10	20	DGCD	
COc1cc(CN(C2CC2)[C@@H](C)C(=O)O)c(O)c(C(C)(C)C)c1	1604703085	VGVGUHPHNGDMTL-NSHDSACASA-N	321.417	3.136	10	20	DGCD	
O=C(CCOc1ccccc1)NCc1ccc(N2CCCC2)cc1	28336151	IHNQLRCDQSUWPC-UHFFFAOYSA-N	324.424	3.372	10	20	DGCD	
O=C(CCC1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	175267450	KYUZKACRUPZEQY-KRWDZBQOSA-N	317.429	3.480	10	20	DGCD	
O=C(NC1CCN(Cc2c(O)ccc3ccccc23)CC1)C1CC1	29586560	RKWIKADSNVNXLW-UHFFFAOYSA-N	324.424	3.036	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CCO3)cc1	31730270	WLKMNOWJHITJBG-UHFFFAOYSA-N	311.385	3.009	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](C)N2CCC[C@@H](C)C2)c1	185023991	LTINEIPKWMNXIG-ILXRZTDVSA-N	306.450	3.172	10	20	DGCD	
Oc1ccc(Cl)cc1CNc1ccc(Cn2cncn2)cc1	121293327	OQRMNPPZHPMSMU-UHFFFAOYSA-N	314.776	3.298	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CCC1	130675828	VHJDBQXBTUDBCH-ZDUSSCGKSA-N	301.434	3.057	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccccc2-n2cccn2)c1	194374228	OZHAHVUOISOQRU-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1cc(F)c(F)cc1F	135034768	GNVSEMCAUDIGBQ-UHFFFAOYSA-N	309.287	3.011	10	20	DGCD	
Cc1ccccc1C[C@@H](C)NC(=O)N(C)Cc1ccccc1O	193393449	KMSVAQWCHBUJHT-OAHLLOKOSA-N	312.413	3.473	10	20	DGCD	
CCN1CCN(c2cccc(NCc3ccccc3O)c2)CC1	190008945	BRLSAHMXSGWMAU-UHFFFAOYSA-N	311.429	3.146	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1	237442417	KRDSONPKZAVAJQ-CQSZACIVSA-N	312.413	3.375	10	20	DGCD	
COC(=O)[C@@]1(C)CCN(Cc2ccc(N3CCCCC3)cc2)C1	93813494	GZFUSLSNYUKHGW-IBGZPJMESA-N	316.445	3.062	10	20	DGCD	
COc1cccc([C@H](CNCc2cc(C)c(C)cc2O)OC)c1	527736449	LWICRJSLWWMIJW-IBGZPJMESA-N	315.413	3.495	10	20	DGCD	
CCc1nc(C)c(C(=O)NCc2c(C)c3ccccc3n2C)o1	352079564	MBRWHFOARYNTGW-UHFFFAOYSA-N	311.385	3.276	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1sccc1OC	265334006	UKOCMTWOFYLODZ-UHFFFAOYSA-N	318.442	3.485	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSCc1ccco1	299474487	UVCGHIAMEGOXTN-UHFFFAOYSA-N	318.442	3.237	10	20	DGCD	
CN(C)CCN(Cc1cc(Cl)c(F)cc1O)C1CCCC1	816574829	TVECFOZOPKLNSH-UHFFFAOYSA-N	314.832	3.491	10	20	DGCD	
Oc1c(CN[C@H]2CCN(c3ccccn3)C2)ccc2ccccc12	816558497	BBXNCOBPJDKIEM-KRWDZBQOSA-N	319.408	3.309	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNc1cc2c(cn1)CCC2	815158832	BJRHOLQDDCTYEP-UHFFFAOYSA-N	309.413	3.019	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC(C)(C)OC1=O	814180024	MGIITYYXQDDLCH-QGZVFWFLSA-N	316.445	3.203	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)[C@@H](C)COC)cc1	812453772	TUQZDKCBLNKIEX-HOTGVXAUSA-N	320.477	3.410	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(N(C)C)c(C)c1	815075466	BNJUAYWCSXMSIQ-VQIMIIECSA-N	318.461	3.273	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2CCN(C(C)(C)C)C2)c1O	826869032	ZLBDPEYVBQXNLU-CYBMUJFWSA-N	312.841	3.017	10	20	DGCD	
CO[C@@H](CN(Cc1ccco1)Cc1ccccc1O)C1CC1	822740919	UZPSPELZTWEMOH-SFHVURJKSA-N	301.386	3.412	10	20	DGCD	
COc1ccc(N(Cc2nc(C3CC3)nn2C)CC2CC2)cc1	828592462	HWVVJEUVXURYPW-UHFFFAOYSA-N	312.417	3.118	10	20	DGCD	
Cc1cnccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1	823729394	FMIJDTWJORZIPJ-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)O[C@@H]3CCOC3)c2C)cc1	730402802	XGLBYXNFZXLCAZ-MRXNPFEDSA-N	315.369	3.048	10	20	DGCD	
Cc1cc(CN(Cc2cnn(C)c2)CC(C)C)ccc1N(C)C	839131588	BPLPUVLVGCIECQ-UHFFFAOYSA-N	314.477	3.453	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC12CCC2	839920071	KIQORAMQMRCTJA-YOEHRIQHSA-N	300.446	3.298	10	20	DGCD	
CCOc1cccc(CN(CCCN)CC2CCCC2)c1O	843124299	XTKLOVFSAUHZGA-UHFFFAOYSA-N	306.450	3.132	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c(O)c1	845383300	BWORKYLSRULFQD-GXTWGEPZSA-N	306.406	3.025	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1ccn(C)n1	840895037	UXDAOZGPAHJPGV-HUUCEWRRSA-N	300.450	3.076	10	20	DGCD	
O=C(O)C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	840996955	CKVPVKFFMNDTCD-KRWDZBQOSA-N	316.445	3.364	10	20	DGCD	
COC1([C@H](C)NCc2ccc(N3CCSCC3)cc2)CCC1	850425065	PXFDVLYUKHPRNI-HNNXBMFYSA-N	320.502	3.287	10	20	DGCD	
C[C@H](NC[C@]1(C)CCOC1)c1cc(Br)ccc1O	756576450	UNZIDDPFJJFTJZ-HZMBPMFUSA-N	314.223	3.232	10	20	DGCD	
COC[C@H](NCc1cc(C)c(C)cc1O)c1cccc(OC)c1	850361837	FTKCGGKRVGRWFO-SFHVURJKSA-N	315.413	3.495	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1F	858146355	VODFWDHHOFEWMN-JLZZUVOBSA-N	324.415	3.324	10	20	DGCD	
Cc1ccc(C(=O)N(C)C2CC2)cc1-n1c(C)cc(C=O)c1C	858421941	BRHSXHBNKPVCIS-UHFFFAOYSA-N	310.397	3.449	10	20	DGCD	
CS/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1O	752087900	HGYDZSPYGCNVDD-CSKARUKUSA-N	303.383	3.391	10	20	DGCD	
COc1cccc(O)c1CN(Cc1ccco1)C[C@H]1CCCO1	769044433	HGVCAEYAVOVZOX-OAHLLOKOSA-N	317.385	3.175	10	20	DGCD	
Oc1ccc2c(c1)CC[C@@H](NCc1c(O)cccc1Cl)C2	767726560	DMYAKIJYBGWTNO-CYBMUJFWSA-N	303.789	3.398	10	20	DGCD	
C[C@@H](NC(=O)CCc1ccc2c(c1)CCO2)c1ccccc1O	1119108501	FCAMBVYQNMZXAC-CYBMUJFWSA-N	311.381	3.137	10	20	DGCD	
OC[C@@H]1c2ccccc2CCN1Cc1cc(Cl)cc(F)c1O	775700247	JMFYTCMDMPPKIV-MRXNPFEDSA-N	321.779	3.276	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(C(F)F)[nH]n2)cc1	878301309	WEKBCGSGZBQFDL-UHFFFAOYSA-N	322.359	3.124	10	20	DGCD	
Cc1cccc(O)c1CN1CCO[C@H](c2ccc(F)cc2)C1	876590973	CBMRKXUFRPZJMV-SFHVURJKSA-N	301.361	3.413	10	20	DGCD	
COCc1cc(NCc2cc(F)cc(F)c2O)ccc1OC	883197694	QYJKZQKQKICDQU-UHFFFAOYSA-N	309.312	3.438	10	20	DGCD	
CC(C)(C)OC(=O)CCCNCc1cc(Cl)cc(F)c1O	776218844	CMRLLPONUAJBKZ-UHFFFAOYSA-N	317.788	3.396	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)c1	775659604	YVFUUVRNJGGDNQ-ZOBUZTSGSA-N	318.461	3.238	10	20	DGCD	
C[C@H](NC[C@@H]1COc2ccccc2C1)c1c(O)cccc1F	886513089	SZKVYMZGBJYEDG-QWHCGFSZSA-N	301.361	3.433	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn(CCC)c1C	1120708733	YPYZEJWYDQQDAJ-UHFFFAOYSA-N	315.417	3.360	10	20	DGCD	
Cc1ccc(C[C@H](C)NC(=O)NCc2ccc(N)cc2)s1	1120513467	LIVKSSVJKFDNMR-NSHDSACASA-N	303.431	3.069	10	20	DGCD	
COc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)cc1C	794365425	MIQRCIHCUJARLI-ALCCZGGFSA-N	313.353	3.375	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@H](C)NC(=O)C=C(C)C)cc1C	1133587185	RWTUUHAOSVQFDA-CVEARBPZSA-N	318.461	3.343	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2CCC[C@H]3OCC[C@H]23)cc1F	1331496872	DAFMVCJAYJGWEA-SRCQZFHVSA-N	310.388	3.078	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC(F)F	1263789429	LCWRIPVYDMPBMN-UHFFFAOYSA-N	313.392	3.328	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)ccnc1Cl	1527715817	LVBKCMQZVHYIOS-UHFFFAOYSA-N	321.783	3.179	10	20	DGCD	
O=C(O)c1ccc(C(F)(F)F)nc1N1Cc2cccc(O)c2C1	1608878051	IRHVGQVJPMIUCN-UHFFFAOYSA-N	324.258	3.024	10	20	DGCD	
CN(C[C@@H]1CC1(C)C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1606096244	GMGUFALIBFBKLP-PZBABLGHSA-N	304.346	3.175	10	20	DGCD	
O=C(O)C[C@@H](Cc1ccccc1)NCc1cccc(Cl)c1O	1602104595	FVUWIZDYOCUAGW-CQSZACIVSA-N	319.788	3.221	10	20	DGCD	
CN(C)c1ccc(/C=C\CN[C@H](C(=O)O)c2ccccc2)cc1	1598314144	CZJLEPFHZUZBRW-MJRGOJFPSA-N	310.397	3.181	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(F)ccc1O)c1ncc(C(=O)O)s1	1593198721	UVHRBLDPVJEQPU-SFYZADRCSA-N	310.350	3.098	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N(C)C)cc1	18150473	QOIDUEFPALXPML-UHFFFAOYSA-N	311.429	3.091	10	20	DGCD	
COc1cc(Br)cc(CN(C)[C@H](C)C2CC2)c1O	158030485	LUVKIWFGWCDTPW-SECBINFHSA-N	314.223	3.394	10	20	DGCD	
CCCc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1	159630610	LNZOOSOQGMIQSV-UHFFFAOYSA-N	319.426	3.165	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1CN	163484188	OMKRMGYFWZUHIF-ONGXEEELSA-N	303.233	3.116	10	20	DGCD	
CC(=O)Nc1ccc(CNCc2ccc(N(C)C)cc2C)cc1	115629220	ZMMRELGZKOOHEH-UHFFFAOYSA-N	311.429	3.309	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(Cl)cc2)c1	172019662	FQODAWYWNHOVBA-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
COc1ccc(N(Cc2ccccc2)Cc2cnnn2C)cc1	127221186	UHDOQUFWOMJZAF-UHFFFAOYSA-N	308.385	3.031	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(F)cc1O)[C@H](O)c1ccc(F)cc1	185468370	KZDQPTDBDSDKBH-RLFDGXBXSA-N	307.340	3.443	10	20	DGCD	
Cc1ccc(C(=O)N2CCC(OCCC(C)C)CC2)c(O)c1O	182105654	CDFJBJZLHNBETK-UHFFFAOYSA-N	321.417	3.074	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccc[nH]2)c1O	79400262	XJHMJQAAMQPDTH-INIZCTEOSA-N	302.349	3.399	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	126145013	SUJZKFMHJQYPNZ-UHFFFAOYSA-N	320.732	3.226	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCN(c3ncccc3F)C2)c(O)c1	185687574	RTJDHJQVOGNBNN-KBPBESRZSA-N	315.392	3.164	10	20	DGCD	
CC[C@H](C)N(CC(=O)O)Cc1cc(Cl)cc(Cl)c1O	86752843	UZCSBXJMVNLLBB-QMMMGPOBSA-N	306.189	3.384	10	20	DGCD	
Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1F	190918195	BDUNRUOAQILURJ-LLVKDONJSA-N	318.348	3.298	10	20	DGCD	
CC[C@@H](NCCCOC1CCOCC1)c1ccc(N(C)C)cc1	90083105	DOHNMJRJHORJPK-LJQANCHMSA-N	320.477	3.379	10	20	DGCD	
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(C)ccc2O)C1	92731424	BEQKUQAFSSETGC-HZPDHXFCSA-N	318.461	3.217	10	20	DGCD	
CN1CCC(CN(C)Cc2ccc(N3CCCCC3)cc2)CC1	93088684	NNUJKLLHVBUZCX-UHFFFAOYSA-N	315.505	3.451	10	20	DGCD	
Cc1c(CNC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)n(C)c2ccccc12	458734188	HZEUNAJYAGVYQI-KBMXLJTQSA-N	311.429	3.475	10	20	DGCD	
Cc1c(CNC(=O)[C@@H]2COc3ccccc32)n(C)c2ccccc12	548756817	DTGBRNLXFIADNW-MRXNPFEDSA-N	320.392	3.279	10	20	DGCD	
CC[C@H](N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(C)cc1O	368446519	KYZSEFLXRUWGDU-UWWQBHOKSA-N	305.418	3.079	10	20	DGCD	
OCCN(Cc1cc(-c2ccccc2)ccc1O)CC(F)F	279637058	CPBPBFNWFVDTOG-UHFFFAOYSA-N	307.340	3.119	10	20	DGCD	
C[C@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H](C)O	280920539	PPOLWYVQAKEGDH-NWDGAFQWSA-N	318.383	3.268	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccnc(F)c1	807838238	NIHWCBFZVPESGW-UHFFFAOYSA-N	315.131	3.163	10	20	DGCD	
O=C(NCc1ccccc1O)NC[C@H](c1ccccc1)C1CC1	294077976	CFMUNTAVLSCFDF-QGZVFWFLSA-N	310.397	3.385	10	20	DGCD	
O=C1CCC(CN(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	290069098	PXGJSSHRRJRLPY-SFHVURJKSA-N	317.429	3.133	10	20	DGCD	
CCOCOc1ccc(CNCc2cccc(OC)c2O)cc1	809740152	NCRJNGWLMXFEHS-UHFFFAOYSA-N	317.385	3.063	10	20	DGCD	
COC[C@H](C)[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1	812486288	IZBWEAGBTHORQE-JKSUJKDBSA-N	318.461	3.212	10	20	DGCD	
C[C@@H]1CC2(CCNCC2)CN1Cc1cc(Cl)cc(F)c1O	818430859	AEXCBGJRQALTOY-LLVKDONJSA-N	312.816	3.149	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](C)c2ccc(Cl)c(Cl)c2O)CCN1	817972048	SREHQZPIAIMDDI-OPRDCNLKSA-N	303.233	3.490	10	20	DGCD	
Cc1nc(C2(NC(=O)c3cc(O)cs3)CCCCCC2)no1	823204039	VLZGOHNFQHXSJI-UHFFFAOYSA-N	321.402	3.125	10	20	DGCD	
COc1cccc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1O	824893138	LLSKQTHIXMRGOJ-CVEARBPZSA-N	317.429	3.182	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cc(F)ccc1C(C)=O	830394432	FGGILZCDICTMIJ-UHFFFAOYSA-N	306.289	3.461	10	20	DGCD	
CN(C)c1ccc(CNC2C[C@@H]3CC[C@H](C2)N3C2CC2)cc1F	903083883	PUNDKRDBNHHCHC-ZXFUBFMLSA-N	317.452	3.139	10	20	DGCD	
CSC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	731324286	GDHYWQQAAMAPHF-ZDUSSCGKSA-N	306.475	3.243	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccnc1C	839919961	YHSASCYWVYBRMP-CQSZACIVSA-N	311.429	3.125	10	20	DGCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@H]1COCCO1	915128378	IHGDYCPHIBKBSU-MRXNPFEDSA-N	311.341	3.456	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H](c2nccn2C)C1	840940506	CRWUPHFJQPHEAU-KRWDZBQOSA-N	312.461	3.174	10	20	DGCD	
COc1ccc(O)c(CNCc2cccc3c2OC(F)(F)O3)c1	840896665	GIPDGVKVWYXTFA-UHFFFAOYSA-N	323.295	3.012	10	20	DGCD	
O=C(NCc1ccc(C(F)(F)F)cc1)NCc1ccccc1O	748463463	RQSAHIBRZADUMF-UHFFFAOYSA-N	324.302	3.410	10	20	DGCD	
CC(C)(C)c1csc(CNC(=O)Nc2ccc(N)cc2)n1	841299591	FIZVHCYHMZPGMP-UHFFFAOYSA-N	304.419	3.345	10	20	DGCD	
COc1cccc([C@H](C)NC[C@]2(C)CCO[C@H]2C2CC2)c1O	846165684	XQCVWQWLRHKRGG-IGNZVWTISA-N	305.418	3.257	10	20	DGCD	
CC[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	745839289	WLPZWRCDENILFE-DOTOQJQBSA-N	313.445	3.393	10	20	DGCD	
CCOc1ccc(NC(=O)NCc2ccccc2O)c(C)c1	748447577	MLBJWXSWRWSVGX-UHFFFAOYSA-N	300.358	3.421	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)CN1CCCCC1	756434026	HTJUVRBXVIIDHA-KBPBESRZSA-N	321.421	3.073	10	20	DGCD	
OC1CCN(c2ccc(CNC3CCC(F)(F)CC3)cc2)CC1	850406532	KQOCXOVOMPDZHT-UHFFFAOYSA-N	324.415	3.315	10	20	DGCD	
COc1ccc(CNCc2ccc(N(C)C)c(F)c2)c(F)c1	758488367	OBYXUXSXXRXBFL-UHFFFAOYSA-N	306.356	3.329	10	20	DGCD	
C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O	756709554	VLXYFEKDGLFQGN-NSHDSACASA-N	320.320	3.169	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H]2CCCN2CC(F)F)c(O)c1C	858479543	UUNCDOCMQSHQEC-ZIAGYGMSSA-N	312.404	3.389	10	20	DGCD	
CCN(CCN[C@@H](C)c1cc(F)ccc1O)CCC(F)(F)F	756051417	VQLMSBOAPVKBEW-NSHDSACASA-N	322.346	3.456	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C(=O)O)[C@H](C)C2)cc1	863738656	DAHJLSVPVKJHJT-RHSMWYFYSA-N	304.434	3.075	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](N(C)C)CC2)cc1	763607976	VDCZXCLNLPSWGR-GOSISDBHSA-N	303.494	3.449	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1	868515941	XIHHGOXROJYBDI-ZWKOPEQDSA-N	315.339	3.064	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@@H]3CCC[C@@H]32)c1	863306704	OOKSZENHUFBQQY-GOEBONIOSA-N	305.418	3.149	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)[C@@H](O)C(F)(F)F)c1O	866463171	KMENWGFHYRTGSS-YVZVNANGSA-N	311.731	3.316	10	20	DGCD	
c1ccn(-c2ccc(-c3nc(CC4CCOCC4)no3)cc2)c1	761978093	UFOFGBMHQKESJR-UHFFFAOYSA-N	309.369	3.496	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H]1CCN(c2ccc(F)cc2)C1	876969901	CXOAMNOJJGRIQJ-HNNXBMFYSA-N	314.404	3.456	10	20	DGCD	
CCn1cnc2c(N[C@H](C)c3ccc(N(C)C)cc3)ncnc21	772299990	KBRREXSEQNNQKE-GFCCVEGCSA-N	310.405	3.085	10	20	DGCD	
Cc1ccc(CNc2cccc(CN3CCOC3=O)c2)c(O)c1	876825670	PIRJJILIZFWELC-UHFFFAOYSA-N	312.369	3.265	10	20	DGCD	
Cc1ccc(CN2CCC(Oc3ccc(F)nc3)CC2)c(O)c1	877473063	HHICBOKVRIQHDV-UHFFFAOYSA-N	316.376	3.278	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](CO)C(C)C)c2C)c1	770432606	YVEWAZKMQIELPH-GOSISDBHSA-N	314.429	3.149	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C2CCOCC2)c1O	777744885	VTTRXTHYZKRXPN-QGZVFWFLSA-N	321.392	3.125	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC=CCC2)cc1F	778660691	NUCGRGIGDUNHIC-UHFFFAOYSA-N	305.397	3.143	10	20	DGCD	
CSC[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773613336	QBEVTCMUDPOANC-CJNGLKHVSA-N	321.490	3.351	10	20	DGCD	
CCc1ccc([C@@H](O)CNCc2cc(F)cc(F)c2O)cc1	883116843	HTAJBYUIZPEMBT-INIZCTEOSA-N	307.340	3.056	10	20	DGCD	
Cc1sccc1CNCc1ccc(N2CCN(C)CC2)cc1	883283664	NOXIPTCNGRZPBV-UHFFFAOYSA-N	315.486	3.098	10	20	DGCD	
CC[C@@H]1C[C@@H](CC(=O)N[C@@H](C)c2cc(OC)ccc2O)CCO1	782016188	YYENGCXVCGAFEH-MELADBBJSA-N	321.417	3.173	10	20	DGCD	
Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)c(O)c1O	780894780	RVZMYXJEENLDHO-UHFFFAOYSA-N	315.369	3.123	10	20	DGCD	
CSC1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1	789212178	FWFAYFWBQFTXKT-ZDUSSCGKSA-N	321.490	3.399	10	20	DGCD	
Cc1nn(C(C)C)cc1CN1CCOc2cc(N(C)C)ccc21	798952781	RTCCMYSRLFRVCR-UHFFFAOYSA-N	314.433	3.237	10	20	DGCD	
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc(O)cs1	798123935	PJSRVJSFJKGVHW-UHFFFAOYSA-N	319.386	3.108	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)c(O)c1	1322446843	OQECZKFHCNADOY-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
CC(C)(O)C(C)(C)CNCc1ccc(Br)cc1O	691393314	SMRYAJKPBJRQQD-UHFFFAOYSA-N	316.239	3.041	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)COCc3ccncc3)cc12	1348229583	LWOMHZACIAPSNP-UHFFFAOYSA-N	324.380	3.312	10	20	DGCD	
Cc1ccc(NC(=O)N(C)Cc2ccccc2O)c(Cl)n1	1520293620	OPDQBRTWOXXMRP-UHFFFAOYSA-N	305.765	3.413	10	20	DGCD	
CCOc1ccc(N(CC)Cc2ccc(-c3nn[nH]n3)cc2)cc1	1604459938	IBUAOGPVULOCKG-UHFFFAOYSA-N	323.400	3.292	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H](C)c2ncc(C(=O)O)s2)c1	1607811283	OYVNHSDMFYKYSY-NXEZZACHSA-N	306.387	3.267	10	20	DGCD	
CCCNC(=O)C1(NCc2cc(C)c(C)cc2O)CCCCC1	154533410	SKPRUQJQJMRDAH-UHFFFAOYSA-N	318.461	3.328	10	20	DGCD	
CCCN1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1	389394077	OJXRDFSQZNXCCJ-LBPRGKRZSA-N	303.233	3.273	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=S)NC1CC1	7404443	NLFIYJMKPVHRKR-UHFFFAOYSA-N	303.475	3.146	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)NC1CCCCCC1	27578898	RFOYFTJMQZPSHE-UHFFFAOYSA-N	316.445	3.287	10	20	DGCD	
COc1ccc(OCCCN(C)Cc2ccccc2O)cc1	109771598	TZFVFSVCFLYRBH-UHFFFAOYSA-N	301.386	3.302	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1noc2ccccc12	115281529	ULAAWIGTXREXHX-UHFFFAOYSA-N	323.396	3.061	10	20	DGCD	
CCC(CC)(CO)CNCc1cccc(Br)c1O	120490362	UDEHANZSEIDUNY-UHFFFAOYSA-N	316.239	3.043	10	20	DGCD	
COC[C@@H](Cc1ccccc1)NCCCSc1nccs1	132233602	GBHVYEHBRCQOSM-OAHLLOKOSA-N	322.499	3.473	10	20	DGCD	
Cc1cccc(OCCC(=O)N(C)Cc2ccccc2O)c1C	136951699	VQPHMAASFJCKOV-UHFFFAOYSA-N	313.397	3.437	10	20	DGCD	
CC[C@H](C)CN(C)C(=O)NCCCSc1nccs1	154677619	BDQWNYBQLIXRAQ-NSHDSACASA-N	301.481	3.313	10	20	DGCD	
CN(c1ccc(CNS(=O)(=O)C2CC2)cc1)C1CCCCC1	173070548	HJMRTGGHIOBGBD-UHFFFAOYSA-N	322.474	3.037	10	20	DGCD	
C[C@H]1CC[C@H](CCC(=O)N(C)Cc2ccc(N(C)C)cc2)O1	175004092	PQEIRHKVPPEUPU-WMLDXEAASA-N	304.434	3.059	10	20	DGCD	
C[C@@H]1CC[C@@H](CCC(=O)NCc2ccc(N3CCCC3)cc2)O1	175369305	PNWXEWALNCWDDG-QAPCUYQASA-N	316.445	3.251	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(O)c(O)c1)Cc1cccc(F)c1	182538512	HQHYABOFCDAYKY-LBPRGKRZSA-N	317.360	3.122	10	20	DGCD	
Cc1cccc(CN2CCN([C@H](C)c3nccs3)CC2)c1O	185611342	VFCYXUYDMBNNNV-CQSZACIVSA-N	317.458	3.036	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC(C)(C)OC(C)(C)C2)c1O	189650837	GDJJUKJDMLFAIE-UHFFFAOYSA-N	309.381	3.123	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCCCCO)c1C	193263645	UJTZNGFULSSNQD-UHFFFAOYSA-N	314.429	3.295	10	20	DGCD	
C[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	224495836	BDHMMJPLPINFCF-ZDUSSCGKSA-N	319.449	3.023	10	20	DGCD	
Cc1cccc(OCCC(=O)NCCc2ccc(N)cc2)c1C	237701113	AAFPASLIAOTVNM-UHFFFAOYSA-N	312.413	3.013	10	20	DGCD	
CN1C(=O)/C(=C\c2ccc(OCC(F)F)cc2)SC1=S	255908173	LRPHQPBXYQKGON-UXBLZVDNSA-N	315.366	3.162	10	20	DGCD	
CC[C@H](NCCCOC1CCOCC1)c1ccc(C)cc1O	280038629	ISOVNQLOIRJLJA-KRWDZBQOSA-N	307.434	3.327	10	20	DGCD	
CC[C@H](c1ccccc1O)N1CCC[C@H](CC(C)(C)C(N)=O)C1	294887905	WDUBDKOLWZFUHU-GDBMZVCRSA-N	318.461	3.457	10	20	DGCD	
Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(Cl)ccc1O	362333880	FFBDZULLTLXYRG-HNNXBMFYSA-N	305.809	3.425	10	20	DGCD	
COc1cccc(CN[C@H](c2ccccc2)c2cnn(C)c2)c1O	374607841	BQJUDWVVOXYRSH-GOSISDBHSA-N	323.396	3.014	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCN2C)[C@@H]1C[C@H]2CC[C@H]1O2	386936455	GPLCEBIJTICMLM-WITVHBPWSA-N	300.446	3.115	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1C[C@@H]2CCCN2c2ccccc21	492524838	ABNSZEAEKYGMME-JJEJIETFSA-N	319.408	3.419	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ncsc2C)c1	529147652	WOFXKZMWWQNQLR-MRVPVSSYSA-N	307.375	3.048	10	20	DGCD	
COc1ccc(N(CC(C)C)C[C@@H](O)COCC(C)C)cc1	747683174	SHPXDEBBYXYDNH-QGZVFWFLSA-N	309.450	3.191	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccccc3C)CC2)cc1F	753857897	QPMKPYOMWGFBAM-UHFFFAOYSA-N	314.404	3.465	10	20	DGCD	
COC1CCN(C(C)(C)CN[C@@H](C)c2ccc(C)cc2O)CC1	756555061	QIPMWDQVYPCMFE-HNNXBMFYSA-N	320.477	3.241	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCC1CC(O)C1	762716621	JSUWZBVHNOIELV-UHFFFAOYSA-N	318.442	3.046	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2scnc2C2CC2)c1	762977284	NWGXQROOGKIKBQ-UHFFFAOYSA-N	319.386	3.056	10	20	DGCD	
CO[C@]1(CN[C@H](C)c2ccc(N3CCCCC3)cc2)CCOC1	763572750	OQPRPSLHZSLHDA-APWZRJJASA-N	318.461	3.133	10	20	DGCD	
CCOc1ccc(CN(C)[C@@H]2C[C@H](OCC)C2(C)C)c(O)c1	769474889	SWQZKCDJXDMQJC-SJORKVTESA-N	307.434	3.426	10	20	DGCD	
COc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(F)c1	773020765	VNWISJNALMWKRH-LBPRGKRZSA-N	316.376	3.391	10	20	DGCD	
C[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccc(N(C)C)cc1	773089063	QZFAHXBSXUIIHS-CQSZACIVSA-N	324.490	3.313	10	20	DGCD	
CN(Cc1ccccc1O)CC(C)(C)CNC(=O)OC(C)(C)C	779032877	LNUBJGLUSFLSNW-UHFFFAOYSA-N	322.449	3.375	10	20	DGCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)c1cccc(Cl)c1	784796641	BAMFBJHMWICDQM-VIFPVBQESA-N	320.728	3.179	10	20	DGCD	
C[C@H](O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1	787587323	YPGYEZMYMUQFIP-NSHDSACASA-N	300.314	3.345	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccc(OC)cc1O)c1ccccc1	792945360	AGZHIAFLOSIYHH-INIZCTEOSA-N	314.385	3.351	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C2CCOCC2)c1	795080814	MCGAXUZSXDXNLI-LBPRGKRZSA-N	321.417	3.031	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CCN(C(C)C)C2=O)c1O	808707577	SMDFLTISALHWKH-SMDDNHRTSA-N	310.825	3.014	10	20	DGCD	
CSC[C@@H](CCO)N[C@H](C)c1cccc(C(F)(F)F)c1O	815582814	PRTPLFXOPVXKEZ-NXEZZACHSA-N	323.380	3.176	10	20	DGCD	
O=C(NC1CCN(Cc2ccc3ccccc3c2O)CC1)C1CC1	816484152	QZKVVMZFJHFLBS-UHFFFAOYSA-N	324.424	3.036	10	20	DGCD	
CC(C)[C@@]1(CO)CCCN(Cc2cc(Cl)cc(F)c2O)C1	816662740	XCQWGBDHOKZWLE-INIZCTEOSA-N	315.816	3.415	10	20	DGCD	
CCC(N)(CC)CN[C@H](C)c1ccc(Br)cc1O	817959990	JSNPXTUMYFPWOR-SNVBAGLBSA-N	315.255	3.323	10	20	DGCD	
CC(C)C[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)C(=O)O	818629941	DWVAKRXSUBFBFX-JFDDCEBESA-N	304.434	3.102	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](c3cc[nH]n3)C2)cc1Cl	824597433	QZPWIVKHPDTGPY-LBPRGKRZSA-N	305.809	3.457	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cnc2c(c1)c(C)nn2C	840882371	OYFFIVWGXKMABZ-UHFFFAOYSA-N	309.417	3.263	10	20	DGCD	
COc1ccc(O)c(CN(C2CC2)[C@@H](C)C(=O)OC(C)(C)C)c1	840957272	KPPZEJPJTFXHSP-LBPRGKRZSA-N	321.417	3.095	10	20	DGCD	
C[C@@H](N[C@@H](CO)CC1CCCCC1)c1cc([N+](=O)[O-])ccc1O	841759918	BBPDRZFGIWEPEF-TZMCWYRMSA-N	322.405	3.282	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](O)c2ccc(Cl)cc2)c1O	846136062	HRXWOYDXHVBXLM-XHDPSFHLSA-N	321.804	3.438	10	20	DGCD	
COc1cccc([C@@H](C)NCCN2CCc3ccccc32)c1O	846140963	BNUHRDWVBICSMZ-CQSZACIVSA-N	312.413	3.114	10	20	DGCD	
COc1cccc([C@H](C)NC[C@](C)(O)c2cccs2)c1O	846144349	KMAYGKQSOMIXGC-ZBEGNZNMSA-N	307.415	3.021	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C(F)F)nc1	847303444	CFNPYZXPXXSVCG-UHFFFAOYSA-N	319.355	3.357	10	20	DGCD	
COc1cc(CNc2ccc(CO)cn2)c(O)c(C(C)(C)C)c1	850300722	BUCKLXFRMYVQQD-UHFFFAOYSA-N	316.401	3.198	10	20	DGCD	
CC[C@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1	858526938	BPYYMFLKUOGGQX-HKUYNNGSSA-N	323.440	3.357	10	20	DGCD	
CCCc1nnc(NCc2c(O)cccc2Br)o1	865289543	PBVNYYRMHVAYDT-UHFFFAOYSA-N	312.167	3.102	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCCN(C2CCCC2)CC1	893986240	ITYNAGWAZWKROO-UHFFFAOYSA-N	310.388	3.121	10	20	DGCD	
CCCOc1ccc(CNCc2cc(C)cc(OC)c2O)cn1	894186078	HSBMRVDXXYJKIT-UHFFFAOYSA-N	316.401	3.183	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)C1CC(c2ccc(F)cc2)C1	910945408	VEUSZSDOQUWDDQ-UHFFFAOYSA-N	315.344	3.047	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccn(C2CCCCC2)n1	1116799381	KHLRIVRBKMQGSJ-UHFFFAOYSA-N	314.389	3.416	10	20	DGCD	
COc1ccc(CNCCCNC(=O)C[C@@H](C)C(C)C)cc1C	1155656583	MGBDWXPXFLAJKD-OAHLLOKOSA-N	320.477	3.282	10	20	DGCD	
Cc1cccc2c1N[C@H](c1ccc(N3CCCC3)cc1)NC2=O	1248746035	DZLXWWLOPIUZOA-SFHVURJKSA-N	307.397	3.449	10	20	DGCD	
CCN(Cc1ccc(N2CCCC2)cc1)C[C@@H](O)C(F)(F)F	1320774829	IGPWBJNKZUVJQE-OAHLLOKOSA-N	316.367	3.032	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCC[C@@H](F)C1	1332092152	ACULDVWVHOTSTP-ZIAGYGMSSA-N	320.408	3.351	10	20	DGCD	
CN(C[C@@H]1CC=CCC1)c1nnc(-c2sccc2O)n1C	1339459701	ZIDPKKGPXQZOPF-LLVKDONJSA-N	304.419	3.042	10	20	DGCD	
N[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(N=Nc2ccccc2)cc1	1580383819	GZQGJDHPRZCJHX-CVEARBPZSA-N	310.357	3.157	10	20	DGCD	
Cc1cc(O)c(CN(C)Cc2cc(C(=O)O)c(C)o2)cc1C	1600286583	QWHYXHROGNJSLF-UHFFFAOYSA-N	303.358	3.241	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@](C(=O)O)(C3CCC3)C2)cc1	1776855607	QWWUDWQGXIKQFO-IBGZPJMESA-N	316.445	3.220	10	20	DGCD	
COc1cc2c(cc1CNCc1cc(C)ccc1O)O[C@H](C)C2	113319775	CFBDVDIBWVFTPE-CYBMUJFWSA-N	313.397	3.322	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC=CCC1	172483069	ZGSIHLNLJXXTII-MRXNPFEDSA-N	301.434	3.393	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C2CC2)cs1	1347272757	QJNSNOFUDLEXIF-UHFFFAOYSA-N	315.442	3.359	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc(C)nc2Cl)c1O	1345886129	YKNBAEDADPCGRJ-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)CNCC2	120981934	WEGNAAXIPWYEQH-UHFFFAOYSA-N	321.424	3.185	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC1CCN(CC(C)C)CC1	122659122	ZVVJACCLXZTXER-UHFFFAOYSA-N	303.494	3.271	10	20	DGCD	
Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)co1	188866210	LUQPDVZEJQFILG-MRXNPFEDSA-N	315.369	3.115	10	20	DGCD	
Cc1nc(NCCc2ccc(O)c(O)c2)c2c(C)csc2n1	133477734	MCALPPOOZKMYID-UHFFFAOYSA-N	315.398	3.374	10	20	DGCD	
C[C@@H](NCc1cc(Br)ccc1O)c1ccccn1	227434235	QKXPRENHFVVHNL-SNVBAGLBSA-N	307.191	3.401	10	20	DGCD	
C[C@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	136827158	XHGLWRRKEDDJNA-VHSXEESVSA-N	304.217	3.292	10	20	DGCD	
CCN(CC)c1ccc(CNCCOCC(F)F)cc1F	190901226	DWOOMOPIRXRPEO-UHFFFAOYSA-N	304.356	3.043	10	20	DGCD	
Cc1cc(C(=O)NC[C@H]2CCCS2)c(C)n1-c1ccccn1	131010485	GPKPAYBBENGGPS-CQSZACIVSA-N	315.442	3.115	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)N[C@@H](C)c1ccc(F)cc1O	191573314	ZHBRARDJTKXZJG-BBRMVZONSA-N	303.377	3.094	10	20	DGCD	
Cc1cccc(CNC[C@](C)(Cc2ccccc2)[C@@H](C)O)c1O	191779871	ZXIXMHNCZZBPLL-UZLBHIALSA-N	313.441	3.420	10	20	DGCD	
COc1cccc(CN(C)CCCOc2ccc(F)cc2)c1O	91948946	NBLCZJIEAFVBSH-UHFFFAOYSA-N	319.376	3.441	10	20	DGCD	
Cc1c(CNC(=O)NCC2(C3CC3)CC2)n(C)c2ccccc12	349791805	PYGFSFTZOGJBBI-UHFFFAOYSA-N	311.429	3.476	10	20	DGCD	
CCCN(Cc1csc(NC(C)=O)n1)Cc1ccccc1O	266538850	ICFKZZDVPNDYOP-UHFFFAOYSA-N	319.430	3.219	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCCCOCC	264534657	ZJOPBLIBXIWSST-UHFFFAOYSA-N	308.422	3.131	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c(O)c1O	272773375	SWGVDGKZKWRRSO-CYBMUJFWSA-N	315.344	3.175	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H]3CCCSC3)CC2)cc1	367898263	FFEHFXKUSRVKSX-OAHLLOKOSA-N	320.502	3.397	10	20	DGCD	
Cc1ccc([C@@H](C)NC2CCN(c3cc(C)n[nH]3)CC2)c(O)c1	275987984	YXIQCJPKBJLABZ-CQSZACIVSA-N	314.433	3.052	10	20	DGCD	
CCn1cnnc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1O	273435797	WZGBFDDPXDOTDW-QMMMGPOBSA-N	315.204	3.161	10	20	DGCD	
Cc1nn(C)cc1[C@@H]1CCCN1Cc1cccc(Cl)c1O	378444362	PTBDVKOYPWOYJW-HNNXBMFYSA-N	305.809	3.425	10	20	DGCD	
CC[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccccc1O	271687381	JPVXTESQXJEJHI-MRXNPFEDSA-N	304.434	3.224	10	20	DGCD	
COC[C@@H](CN[C@H](C)c1ccc(Cl)c(Cl)c1O)OC	273455818	PLUFLNBCGVPDSK-RKDXNWHRSA-N	308.205	3.011	10	20	DGCD	
CCOc1ccc(O)c(CNc2ccc(OCCCO)cc2)c1	285618747	XYQOGHXWNRITHF-UHFFFAOYSA-N	317.385	3.164	10	20	DGCD	
CCOc1cccc(CNC[C@@H](CO)C2CCCCC2)c1O	293231990	ZHGARORQPMBADR-INIZCTEOSA-N	307.434	3.069	10	20	DGCD	
CN(Cc1cc(F)ccc1O)[C@H](CO)c1ccc(Cl)cc1	294978005	GIOJXDCKVQFUDE-OAHLLOKOSA-N	309.768	3.350	10	20	DGCD	
C[C@@H]1Oc2ccc(N[C@@H]3CCc4cccc(O)c43)cc2NC1=O	296887201	OKCUOKXALZZQNH-GXFFZTMASA-N	310.353	3.211	10	20	DGCD	
C[C@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H]1C	817959596	HIVTZTMJCXOTLE-RYUDHWBXSA-N	315.442	3.187	10	20	DGCD	
O=C1COc2c(NCc3cc(Cl)cc(F)c3O)cccc2N1	811510841	PXCDNBMZPQSTKJ-UHFFFAOYSA-N	322.723	3.128	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CSC(F)F)cc1F	823213767	PGHVPCPFOGRKQZ-UHFFFAOYSA-N	320.380	3.244	10	20	DGCD	
C/C(=C\C(=O)N1CC[C@@H](C)c2cccc(O)c21)c1cnccn1	829521095	MASYAOZQVVPCAS-GMCKNXKJSA-N	309.369	3.126	10	20	DGCD	
Oc1cc2c(cc1CN1CCc3c(Cl)cccc3C1)OCO2	739864221	ZNVXUJBDTRBWQO-UHFFFAOYSA-N	317.772	3.333	10	20	DGCD	
CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F	834828155	PUZXCIVTKABKLP-RISCZKNCSA-N	316.367	3.357	10	20	DGCD	
CC[C@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	588407245	RUSSNRLKVYIQQS-ZQMJAJRESA-N	312.369	3.116	10	20	DGCD	
CSCC1(CC(=O)NCc2ccc(N(C)C)c(F)c2)CC1	844357049	LJGKGTQCVQQROD-UHFFFAOYSA-N	310.438	3.041	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1N	746314046	LIPRQHCOZRXTOD-UHFFFAOYSA-N	309.413	3.107	10	20	DGCD	
CCc1cccc(CN2CCC[C@@H](OCC(F)(F)F)C2)c1O	848882620	VZLCDWQNYNHVLU-CQSZACIVSA-N	317.351	3.498	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c(O)c1	841590481	OTJUAUJXYRMVAW-HUUCEWRRSA-N	320.433	3.415	10	20	DGCD	
COCC[C@@H](C)CNCc1cc(Br)cc(C)c1O	840955524	SFVDGRIVGPTCIS-SNVBAGLBSA-N	316.239	3.225	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C2CCC2)cc1	844857182	RGEDHXAPNXPCPZ-CQSZACIVSA-N	304.434	3.026	10	20	DGCD	
COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C)c(C)c1	740701104	RWHCYIGCIVSZMI-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
COc1ccc(N2CCC(NCc3scnc3C)CC2)cc1	742369774	RNHRFHHKYNVPGO-UHFFFAOYSA-N	317.458	3.219	10	20	DGCD	
CCCN(C)C[C@H]1CCN(Cc2ccc(N(C)C)cc2C)C1	840918288	ZEMIRBLZVYMQHG-QGZVFWFLSA-N	303.494	3.225	10	20	DGCD	
C[C@@H](NCc1csc(N(C)C)n1)c1ccc(Cl)cc1O	841753956	GRUUHANNJCLKHR-SECBINFHSA-N	311.838	3.419	10	20	DGCD	
C[C@H](NC[C@H](O)Cc1ccccc1)c1ccc(Cl)cc1O	841746553	HTTBRQAZQWDNMV-SWLSCSKDSA-N	305.805	3.300	10	20	DGCD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCCc1ccc(N)cc1	841869851	QZHHDHNQMKOXSG-KUHUBIRLSA-N	323.440	3.434	10	20	DGCD	
CCc1cccc(CN[C@@H](C)[C@H](O)c2cccc(F)c2)c1O	848898848	ZFXRVTBWAMGMJH-SJCJKPOMSA-N	303.377	3.305	10	20	DGCD	
Cc1noc(C2CCN(Cc3ccc(N(C)C)cc3C)CC2)n1	840910805	MHKWWFLYGPQGBP-UHFFFAOYSA-N	314.433	3.132	10	20	DGCD	
CN(Cc1c(O)ccc2ccncc12)[C@H]1CCCc2c1cnn2C	747815568	ROZDDMAVKZRPTQ-KRWDZBQOSA-N	322.412	3.183	10	20	DGCD	
COc1ccc(N(C)Cc2nc(CCc3ccccc3)no2)cc1	844352750	GEUBFQHOOAVYQD-UHFFFAOYSA-N	323.396	3.500	10	20	DGCD	
CCN1CCC[C@H]1CN[C@@H](C)c1cc2c(cc1O)CCCC2	756356368	AKJRDKCWBPVHNR-YOEHRIQHSA-N	302.462	3.406	10	20	DGCD	
CCOc1ccc(CNc2nnc(C(F)(F)F)s2)c(O)c1	758443018	TVKNXMMBAFDIHO-UHFFFAOYSA-N	319.308	3.273	10	20	DGCD	
CCn1cc(CN(Cc2ccccc2O)C2CCCCC2)nn1	929634374	XHALHBBDIUCQJI-UHFFFAOYSA-N	314.433	3.339	10	20	DGCD	
Cc1ccc(NC(=S)NCc2cccc(N(C)C)n2)cc1F	754693689	VOQMNMGJPBRALK-UHFFFAOYSA-N	318.421	3.082	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2c(C3CC3)cnn2C)c2c(O)ccc(F)c21	850535600	XRRHKDLLUYEDOC-QMTHXVAHSA-N	315.392	3.480	10	20	DGCD	
Clc1cccc2c1OC[C@H]2NCc1ccc2c(c1)CCO2	757706897	PRZHKNQPAIDEKS-OAHLLOKOSA-N	301.773	3.498	10	20	DGCD	
COc1ccc2c(c1)[C@@H](NCc1c(O)cccc1OC)CCO2	767188007	DFSHCIKJUMWISN-HNNXBMFYSA-N	315.369	3.023	10	20	DGCD	
CN(C)c1cc(F)c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1F	862381118	VELJHXJDPMPFLK-ZWKOTPCHSA-N	322.399	3.174	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2CN2CCCCC2)cc1F	768936554	FNMOGLIDAMUOBN-QGZVFWFLSA-N	319.468	3.342	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC(CCCO)CC2)cc1F	862310791	FVZIZDZYZTZEFN-UHFFFAOYSA-N	312.404	3.015	10	20	DGCD	
Cc1c(CN(Cc2ccco2)Cc2ccccc2O)cnn1C	766885845	XOIXUKNXIKLQKN-UHFFFAOYSA-N	311.385	3.230	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nc(Cl)sc1C	762870846	LEXPYCZXLIEPQX-UHFFFAOYSA-N	323.849	3.409	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CCC[C@H](OC)C3)CC2)cc1	773083157	KOQDNMQLPKKTBG-APWZRJJASA-N	318.461	3.211	10	20	DGCD	
CCC[C@@]1(C(=O)OCC)CCCN1Cc1cccc(OC)c1O	775184969	UFEKRBRQSXQSLY-SFHVURJKSA-N	321.417	3.099	10	20	DGCD	
COc1ncc(/C=C\C(=O)N2CCCc3cc(C)cc(C)c32)cn1	776322528	ZPWNYBYDSFVQIY-SREVYHEPSA-N	323.396	3.095	10	20	DGCD	
C[C@H](C[C@@H](O)c1ccco1)NCc1cc(Cl)cc(F)c1O	776253327	MFVUBJUKLSMPKG-NOZJJQNGSA-N	313.756	3.380	10	20	DGCD	
O=C(OCc1noc(C2CCCCC2)n1)c1cc(O)cs1	773156288	LTXCZOXSLCFQGR-UHFFFAOYSA-N	308.359	3.241	10	20	DGCD	
C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1c(O)cccc1F	886556724	JAMMURQHAOBKMI-BLLLJJGKSA-N	300.377	3.369	10	20	DGCD	
C[C@H](Cc1cccc(O)c1)NCc1ccc(N(C)C)c(F)c1	776175420	ZHHSBBQIYRAUNE-CYBMUJFWSA-N	302.393	3.318	10	20	DGCD	
COc1ccc(CNCCCc2cccs2)c(O)c1OC	893230283	NJZXKPAEHRTLIM-UHFFFAOYSA-N	307.415	3.193	10	20	DGCD	
C/C=C/C[C@@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F	793083290	BRXDPUWQVCNKMO-IHVVCDCBSA-N	316.367	3.188	10	20	DGCD	
Cc1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n(C)n1	791143601	SDKGDXHCDQSVQY-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
CN(CC[C@H]1CCCCN1C)Cc1c(O)ccc(Cl)c1F	792165938	MXUNGWPLUPKLGE-GFCCVEGCSA-N	314.832	3.491	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)CCCN2CCCC2)c1O	799174145	CIXLMWJHYHRXME-UHFFFAOYSA-N	324.852	3.166	10	20	DGCD	
CCO[C@H]1CCCN(Cc2ccc(Br)cc2O)C1	691679198	PQJPIFMWAITZHR-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
CCc1cc(OCC(=O)NCc2ccccc2O)ccc1Cl	1318078753	ULHIDXMVEGAKDG-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OC[C@H](C)O)c1	1327717582	XGBIYNDRGBWAGO-LBPRGKRZSA-N	307.777	3.285	10	20	DGCD	
O=C(O)[C@@H](CNCc1ccc(Cl)cc1O)C1CCCCC1	1601653959	UXBKSGVMYZYDFY-AWEZNQCLSA-N	311.809	3.416	10	20	DGCD	
CC[C@H]1NCC[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F	1578241985	VXCCRPLEFGILKO-CABCVRRESA-N	315.383	3.002	10	20	DGCD	
COC1(CN[C@H](C)c2cc(C(=O)O)ccc2O)CCC(C)CC1	1599091183	LETPRSHPOQLEPO-YNAXMUEKSA-N	321.417	3.336	10	20	DGCD	
COCc1csc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)c1	1599299664	CCBIHRGSXGKUKA-JTQLQIEISA-N	321.398	3.149	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)c3ccccn3)CC2)cc1	152363602	YBIGUTYELCAYBC-OAHLLOKOSA-N	311.429	3.410	10	20	DGCD	
COC(C)(C)CCNCc1cc(Br)cc(F)c1O	715735121	CTFJAIXZEKSRDB-UHFFFAOYSA-N	320.202	3.199	10	20	DGCD	
CCN(CC)[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	102827144	CRULUYNTHSAPAL-HNNXBMFYSA-N	324.852	3.164	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cccnc1	54125885	CKGWGNRXQODPOY-UHFFFAOYSA-N	311.410	3.481	10	20	DGCD	
C[C@@H](NCc1ccco1)c1ccc(N2CCOCC2)c(F)c1	20551045	BCHACZIRLAQLEK-CYBMUJFWSA-N	304.365	3.106	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](c2cccs2)N(C)C)cc1	21795471	VWBBCWRRTPWHHM-MRXNPFEDSA-N	303.475	3.207	10	20	DGCD	
CCc1ncsc1C(=O)N(C)Cc1ccc(N(C)C)cc1	127730263	SHFHGLACLADDJX-UHFFFAOYSA-N	303.431	3.044	10	20	DGCD	
C[C@@H](N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1O	183527605	MDGMQPHCMHGIEY-DOMZBBRYSA-N	320.433	3.346	10	20	DGCD	
C[C@H](NC[C@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2	184997681	VMYULVXJILNGIL-LSDHHAIUSA-N	314.473	3.406	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](O)c2ccsc2)cc1	219097438	OMDPNIVYYQKMSQ-KRWDZBQOSA-N	304.459	3.418	10	20	DGCD	
C[S@@](=O)C[C@H](NCc1cccc(Cl)c1O)c1ccccc1	182099748	IJYKAEOPHJBUSM-YCRPNKLZSA-N	323.845	3.255	10	20	DGCD	
Cc1cc(F)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1F	183432333	IZTYXCWSGUXDJP-SNVBAGLBSA-N	321.323	3.045	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3ncccc3F)C2)c1	185686611	LDKLFHWNESRZHN-UONOGXRCSA-N	315.392	3.164	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC[C@@](C)(O)c2ccccc2)c1	187909838	YKZUGNAXFRYVSM-IFXJQAMLSA-N	315.413	3.349	10	20	DGCD	
Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c(C)c1O	185759178	VWNDSVYMSRZMPE-FNORWQNLSA-N	313.353	3.381	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(F)cc1O	186176864	OXOOPFGQTXKHQG-LLVKDONJSA-N	305.397	3.240	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCc1cccc(Cl)c1	43478858	CQNCNDYIEJIUCY-UHFFFAOYSA-N	318.804	3.430	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1	324470247	ARALYRCMXYZFQU-IBGZPJMESA-N	324.424	3.291	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(Br)s1	81777282	XDJXWLSCQCBVDK-UHFFFAOYSA-N	312.188	3.146	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(F)c(Br)c1	231659921	TUQVKAIBFAKPJA-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
C[C@@H]1[C@@H](NC(=O)[C@H](C)N(C)Cc2ccccc2O)CCC[C@H]1C	245809124	NQPNQRHRBYQKHV-AESZEHBQSA-N	318.461	3.153	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	262139167	MFZZSFPOBNLRFO-CHWSQXEVSA-N	314.351	3.296	10	20	DGCD	
Cc1cncc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1	266293065	ZSFGREREDLHHID-UHFFFAOYSA-N	309.413	3.261	10	20	DGCD	
COCC1(C(=O)NCc2c(C)c3ccccc3n2C)CCCC1	457759628	GZIPSOIXHSKPTM-UHFFFAOYSA-N	314.429	3.310	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(F)c1F	276612416	PSPMPGFQZHVDGB-UHFFFAOYSA-N	319.355	3.088	10	20	DGCD	
CO[C@H](C)c1nc(CNCc2cccc(Cl)c2O)cs1	271840951	QXGGDWQUYQWKSV-SECBINFHSA-N	312.822	3.499	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNCCOCC(F)F	276191624	HBQRMIKLVVFKQL-UHFFFAOYSA-N	307.340	3.431	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2	625916598	ZWJPPQLGXAAYJV-NJSLBKSFSA-N	314.429	3.304	10	20	DGCD	
Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1	278916128	JYXHWADYQHVJAZ-HIFRSBDPSA-N	311.381	3.424	10	20	DGCD	
CC(C)(C)OC(=O)NCC1CCN(Cc2ccccc2O)CC1	271303169	SYGIEIORCNCZIM-UHFFFAOYSA-N	320.433	3.129	10	20	DGCD	
COc1cccc(CN[C@@H](C)c2nccn2-c2ccccc2)c1O	377353842	DIWRHJZZNIVMJD-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1-n1ccnn1	285597879	JPVRZECBQBTAKU-HNNXBMFYSA-N	321.428	3.184	10	20	DGCD	
CC[C@@H](NC1CCN(CCCOC)CC1)c1ccc(F)cc1O	285951539	GEPRXEDPXZRUEC-QGZVFWFLSA-N	324.440	3.073	10	20	DGCD	
CC[C@@H](CN[C@H](C)c1cc(Br)ccc1O)OC	290184481	NTZHRQCVXZWCEX-KOLCDFICSA-N	302.212	3.230	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](CN(C)C)c2ccc(F)cc2)c1	290144793	OGPHHDLXSMVGKA-KRWDZBQOSA-N	302.393	3.232	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@H]1CCN(c3ccccc3F)C1)CC2	297388444	RPBTXZFQGYAODD-GOEBONIOSA-N	312.388	3.387	10	20	DGCD	
CN(C)c1ccc(CNC[C@]2(C)OCCc3sccc32)cc1	810170604	NTMISOGALSHINP-SFHVURJKSA-N	316.470	3.392	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2ncc(Cl)cc2C)c1O	812784465	PMCUJYDIUKXHLX-UHFFFAOYSA-N	323.736	3.278	10	20	DGCD	
C[C@H](N[C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O	815598356	SLMVEHWONKHMHN-ONGXEEELSA-N	303.324	3.223	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3CCC[C@H]4C[C@H]43)C2)cc1	818343189	ZDBCVTHWSVGHJL-OHQAAIJDSA-N	300.446	3.300	10	20	DGCD	
CN1CCCc2cc(CNC(=O)C3(F)CCCCC3)ccc21	810266322	IXESRMVOMGKDLY-UHFFFAOYSA-N	304.409	3.358	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)[C@H](OC)C3CC3)CC2)cc1	825099383	YNOUWUOMGASPPX-KUHUBIRLSA-N	318.461	3.067	10	20	DGCD	
C/C(=C\C(=O)N1C[C@H](C)Oc2ccc(C)cc21)c1cnccn1	826819963	ZODWJJLMOOGCQC-SSUFTNFISA-N	309.369	3.002	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C)[C@@](C)(CO)C2)cc1F	827698654	AEJABOGYEVTOMX-RDTXWAMCSA-N	308.441	3.122	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCO[C@H](c3ccncc3)C2)cc1C	824952715	DIUCBTCULKKKPM-HKUYNNGSSA-N	312.413	3.414	10	20	DGCD	
COC[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	733705990	DEABLRLTULFCCF-CYBMUJFWSA-N	317.385	3.294	10	20	DGCD	
Cc1cc(CN2C[C@@H](O)C[C@@H](C)C2)ccc1N1CCCCC1	832717567	JPZXQFKKCNKJCT-QAPCUYQASA-N	302.462	3.188	10	20	DGCD	
CCN(CC(=O)Nc1ccc(Cl)cn1)c1ccc(OC)cc1	746108996	HDYVTKBGPOLKAR-UHFFFAOYSA-N	319.792	3.209	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1c[nH]c2ncccc12	741283212	ROYUPIVCIWWIHM-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@](CO)(C(C)C)C1	840948723	ICMZKANKRQSWJM-LJQANCHMSA-N	304.478	3.292	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ncc(C3CC3)o2)cc1	844402430	XFYPEAMLWXWKQP-UHFFFAOYSA-N	315.417	3.129	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](CCO)Cc2ccccc2)c1O	846167169	HIXPRPOXMICEEY-GOEBONIOSA-N	315.413	3.045	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c1	748972330	PUZVEYROGVOSFL-DOMZBBRYSA-N	320.433	3.415	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnn(C(C)C)c1	747563020	PCTGZAPCLMRLRD-UHFFFAOYSA-N	315.421	3.160	10	20	DGCD	
C[C@H](NCCO[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1O	927079545	FXMKIFOYCWZAFT-UWVGGRQHSA-N	320.216	3.155	10	20	DGCD	
C[C@H](NC(=O)c1cc(O)cs1)c1ccc(-n2cccn2)cc1	743814851	IGACHPIHSMUOAL-NSHDSACASA-N	313.382	3.130	10	20	DGCD	
COc1cc(CN[C@H]2CC[C@H](CO)CC2)c(O)c(C(C)(C)C)c1	850187384	YMMSRCCXXBRTDE-CTYIDZIISA-N	321.461	3.339	10	20	DGCD	
Cc1ccc(F)c(OCC(=O)NCc2cc(Cl)ccc2O)c1	857547468	FUIONPAYLDFYMR-UHFFFAOYSA-N	323.751	3.188	10	20	DGCD	
CCSC1(CNC(=O)NCc2cc(Cl)ccc2O)CC1	852626403	WFXHJFQBLMACGV-UHFFFAOYSA-N	314.838	3.131	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(C)cc1O	850503740	YTEHHWVWKVJTIB-BEZKYQLSSA-N	309.475	3.431	10	20	DGCD	
COc1cc(CN[C@H](C)c2cc(OC)ccc2O)cc(OC)c1	756420100	BGPCQXKBADZBPM-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)c(O)c1O	751538600	SNBWOYSJADWJSC-UHFFFAOYSA-N	309.724	3.129	10	20	DGCD	
O=C(NCCCc1ccco1)NCc1cc(Cl)ccc1O	852682376	YVARUGSCWUVXEI-UHFFFAOYSA-N	308.765	3.071	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1cc([N+](=O)[O-])ccc1O	850544610	YSLZWTUQKILWHL-QLJPJBMISA-N	314.341	3.344	10	20	DGCD	
CCOc1cccc(CN(C)[C@@H]2CCN(CC)[C@@H](C)C2)c1O	769470049	JIDRSGLZVGVYHW-GOEBONIOSA-N	306.450	3.096	10	20	DGCD	
COc1ccc(CNCc2cc(F)c(N(C)C)cc2F)c(O)c1	862353626	ULSYIECHFSMKMT-UHFFFAOYSA-N	322.355	3.035	10	20	DGCD	
COc1cc(O)c(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1OC	862445025	ZZHDRXHDFFYINL-GHMZBOCLSA-N	315.360	3.133	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CC(=O)N(C(C)(C)C)C1	1116588406	FEAUNRQCHOJMJY-MGPQQGTHSA-N	316.445	3.238	10	20	DGCD	
COc1cc(OC)c(CN[C@H](C)c2ccccc2O)cc1F	877755663	KRZJHZLDBCEICV-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
CN(CC(F)F)C1CCN(Cc2cccc(Cl)c2O)CC1	775725729	ZFHILJCDOPEWDE-UHFFFAOYSA-N	318.795	3.207	10	20	DGCD	
CCN(Cc1ccc(C)cc1)C(=O)/C=C\c1ccc(O)c(O)c1	779500613	RNDFTJWRZVZCLU-LUAWRHEFSA-N	311.381	3.468	10	20	DGCD	
CC1(C)C[C@H](NCc2ccc(N3CCSCC3)cc2)CCO1	872024896	FFZZEAJOIQUCON-MRXNPFEDSA-N	320.502	3.287	10	20	DGCD	
C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)Cc2ccccc21	779489573	QPXUCLZRJJFPTD-XOVSCCBYSA-N	309.365	3.257	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H](C(C)C)C2)c1O	775096501	CQQQFXUDYJTSIM-LBPRGKRZSA-N	308.378	3.177	10	20	DGCD	
COc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)ccn1	788581924	CHUXHXJDOOLSAA-LBPRGKRZSA-N	303.381	3.146	10	20	DGCD	
C[C@@H](N[C@H](CCO)c1ccccc1F)c1c(O)cccc1F	886630308	ZNLQOIUMQPZPQV-IAQYHMDHSA-N	307.340	3.445	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CC[C@@H]2SCCS[C@@H]21	883078600	WVCPLSHBJCPJEI-MBNYWOFBSA-N	317.426	3.140	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@@H](Oc2ncccc2F)C1	787290560	OHAZIHYFHLFZQH-CQSZACIVSA-N	320.339	3.109	10	20	DGCD	
COc1ccc(N(C)C[C@H]2CCCCN2C(C)C)c(OC)c1	787732695	ZASLTUATZXJFBT-OAHLLOKOSA-N	306.450	3.403	10	20	DGCD	
COc1cc2c(cc1O)CCN(Cc1cc(C)c(C)cc1O)C2	895889674	ZIJIXRSTNXIERQ-UHFFFAOYSA-N	313.397	3.282	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)c1cccc(Cl)c1Cl	192718089	BWMAPMYEUVIJNU-UHFFFAOYSA-N	318.181	3.500	10	20	DGCD	
CO[C@@]1(C)CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	794650145	OUGYMXGHRWYINP-SFHVURJKSA-N	307.434	3.396	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1	1335452191	OVCBRNVJOGOFHF-IEBWSBKVSA-N	323.440	3.479	10	20	DGCD	
C[C@H]1CCC[C@@H](OCC(=O)Nc2c(Cl)ccc3nonc23)C1	1342950598	HLIMKWBZXMECBR-VHSXEESVSA-N	323.780	3.410	10	20	DGCD	
O=C(O)c1ccc(C(=O)CSc2ncc(Cl)s2)cc1	1602316341	RGTIAGJZWQCAQS-UHFFFAOYSA-N	313.787	3.470	10	20	DGCD	
Cc1ccc(C(=O)O)cc1NC(=O)[C@H](C)Sc1nccs1	1607738289	CTVONGQMEAESFA-VIFPVBQESA-N	322.411	3.269	10	20	DGCD	
O=C(O)[C@H](NCc1cccc(Cl)c1O)c1ccc(F)cc1	1594844559	VVYMWMKEAJSXKO-CYBMUJFWSA-N	309.724	3.100	10	20	DGCD	
CCn1c(NCc2cc([N+](=O)[O-])ccc2O)nc2ccccc21	158905221	RIBMNWKDUCXBRA-UHFFFAOYSA-N	312.329	3.282	10	20	DGCD	
CCOCCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1	160751755	MOPSVFYPJPIGEJ-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCc1cscn1	159612312	UVZOEVSRPAZFAA-UHFFFAOYSA-N	319.430	3.013	10	20	DGCD	
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2O)C1(C)C	401529218	PIYJCAFAIDEBDZ-HNNXBMFYSA-N	320.433	3.270	10	20	DGCD	
CCc1ccc([C@H](C)C(=O)NCc2cccc(OC)c2O)cc1	105650032	ZWHRXCDJEZPIQA-ZDUSSCGKSA-N	313.397	3.383	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C)s2)c1	103510481	CCIAHXSOZAVGCA-LLVKDONJSA-N	320.414	3.331	10	20	DGCD	
Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)cc1F	109770796	BFRPLHGZCQTAIK-CYBMUJFWSA-N	316.376	3.299	10	20	DGCD	
Cc1csc(NC(=O)NCc2ccc(N(C)C)cc2C)n1	115640367	JIFRRVFLZGSJRX-UHFFFAOYSA-N	304.419	3.148	10	20	DGCD	
CC[C@@H](NC[C@H](O)c1c(F)cccc1F)c1ccccc1O	305789772	ZNORINLQPLTBOS-ZBFHGGJFSA-N	307.340	3.445	10	20	DGCD	
C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC(C)(C)O1	68462368	FUHUSZVGFRPAFR-GFCCVEGCSA-N	307.434	3.395	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCN(C2CC2)c2ccccc21	186773883	SZQRDVKAUJLYCX-VMPITWQZSA-N	323.371	3.250	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccc(C#N)cc2C)cc1	186326695	AMRHJFUUFKKNKZ-UHFFFAOYSA-N	324.380	3.055	10	20	DGCD	
COc1cccc(CNC(=O)CCc2ccc3[nH]ccc3c2)c1O	181445644	QDAXCSTVHIAKGS-UHFFFAOYSA-N	324.380	3.131	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC(NCC3CC3)CC2)c1O	317902943	XWCOMTPLECIKBC-UHFFFAOYSA-N	324.852	3.018	10	20	DGCD	
CC(C)CC(=O)N1CCC(N[C@@H](C)c2ccccc2O)CC1	183465694	WCWREQJZJTWSJU-AWEZNQCLSA-N	304.434	3.080	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCSC2(CCOCC2)C1	186487609	BFXVPOGZPWRVDM-UHFFFAOYSA-N	313.850	3.144	10	20	DGCD	
Cc1cc(O)c(CN2CCSC[C@H]2c2cnn(C)c2)cc1C	189877342	YRTRWTAWARQJBR-INIZCTEOSA-N	317.458	3.033	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccc(F)cc2OCC2CC2)cc1	237917212	ONPNPLSLEOXXFS-UHFFFAOYSA-N	314.360	3.378	10	20	DGCD	
Fc1ccc(F)c(NCc2ccc(N3CCOCC3)cc2)c1	237819370	SPMFRJSCNYGZCR-UHFFFAOYSA-N	304.340	3.414	10	20	DGCD	
CO[C@H](C)c1nc(CNCc2cc(C)c(C)cc2O)cs1	267594997	BYOOIXJSIRYMHV-GFCCVEGCSA-N	306.431	3.463	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3CCO[C@H](C)C3)CC2)cc1	360059572	PQSWRTAUFULZML-HZPDHXFCSA-N	318.461	3.069	10	20	DGCD	
Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1	277644257	LIBZVUJVTASWAD-UHFFFAOYSA-N	321.398	3.289	10	20	DGCD	
O[C@@]1(C2CC2)CCN(Cc2ccc(N3CCCCC3)cc2)C1	369682063	BVGNQGLGCOIALQ-IBGZPJMESA-N	300.446	3.024	10	20	DGCD	
C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1O	276901129	JBMBRIBERQDIAX-YMTOWFKASA-N	311.303	3.194	10	20	DGCD	
CC(C)[C@@H](CNCc1cc(Cl)cc(Cl)c1O)C(=O)O	277401788	RZEIVMZJOZCQHT-SNVBAGLBSA-N	306.189	3.145	10	20	DGCD	
CC[C@H](N[C@H](C)[C@H](CO)SC)c1cccc(Cl)c1O	287880034	YJJFFURRLZCOOZ-ICCXJUOJSA-N	303.855	3.199	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnc(C)nc1C	282395446	DXBRZMYXCMEPGG-UHFFFAOYSA-N	313.401	3.242	10	20	DGCD	
CC[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O1	807835310	FJBNYQVQEKAOOS-ZYHUDNBSSA-N	318.200	3.273	10	20	DGCD	
CS[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1	295561764	NUNFXFPSCXCZAK-CQSZACIVSA-N	315.442	3.067	10	20	DGCD	
CC(C)(C)OC(=O)CCNCc1cc(Cl)c(F)cc1O	816553045	GFMWTFNOUCVPIH-UHFFFAOYSA-N	303.761	3.006	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CC[C@@H]3CNC[C@H]3C2)cc1	817984834	ASAYBCAGRJAFQQ-DZOHQFGASA-N	301.478	3.181	10	20	DGCD	
C[C@@H]1CCCN(CCNCc2cc(Cl)c(F)cc2O)C1	816535286	LFAPKPUABAOOMK-LLVKDONJSA-N	300.805	3.006	10	20	DGCD	
OC[C@@H](CNCc1cc(Cl)c(F)cc1O)CC1CCCC1	816598777	PPQIYILWLNOYLW-GFCCVEGCSA-N	315.816	3.463	10	20	DGCD	
Cc1cc(O)c(CNCCCOC2CCOCC2)cc1Cl	825297610	ISMMUOKUWWYKSO-UHFFFAOYSA-N	313.825	3.029	10	20	DGCD	
CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(O)cs2)cc1	731910961	XPOUBOYAWJDTNW-JTQLQIEISA-N	319.382	3.200	10	20	DGCD	
C[C@@H]1CCC[C@H](CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1	832278451	CFSPTFWGOMJOQW-RVKKMQEKSA-N	317.477	3.085	10	20	DGCD	
CCOC(=O)Cc1cnc(NCc2cc(C)c(C)cc2O)s1	834482330	CUPXJSPLGPXFPL-UHFFFAOYSA-N	320.414	3.183	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(F)cc1O	834894730	UHPSUMMCWPZGME-WBHUJUFNSA-N	316.376	3.497	10	20	DGCD	
CCN(Cc1nc(CC(F)(F)F)no1)c1ccc(OC)cc1	744392106	SZZWKCJHPJWOIZ-UHFFFAOYSA-N	315.295	3.210	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCC[C@H]2C2CC2)c1O	840954822	OQQTYWXDTGRUEQ-JSGCOSHPSA-N	320.389	3.225	10	20	DGCD	
CC[C@H](C)C[C@H](CO)NCc1cccc(Br)c1O	842755366	XYCGRGUXAPGZRF-CMPLNLGQSA-N	316.239	3.041	10	20	DGCD	
COc1ccc(CNC[C@@]2(CC(=O)O)CC[C@@H](C)C2)cc1C	841793931	RRGSVDIHKNUPQC-ACJLOTCBSA-N	305.418	3.374	10	20	DGCD	
O=C(NCCCSc1nccs1)N[C@@H]1C[C@H]1c1ccco1	840325000	LHUUOPAZWPFSCG-GHMZBOCLSA-N	323.443	3.074	10	20	DGCD	
COc1ccc(CCCc2nc(Cc3ccc(N)cc3)no2)cc1	843159542	SNKXBANXRCKCGD-UHFFFAOYSA-N	323.396	3.427	10	20	DGCD	
COC(=O)c1cnc([C@H](C)NCc2ccc(OC)c(C)c2)s1	840721737	WJXPCSQDIYGIOJ-NSHDSACASA-N	320.414	3.098	10	20	DGCD	
C[C@H](N[C@@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1O	927060337	ABXLOVQLQHPAQQ-XHDPSFHLSA-N	313.357	3.424	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2cc(C)oc2C)cc1	753592213	TUJAOCQMQYFDRN-UHFFFAOYSA-N	303.358	3.085	10	20	DGCD	
CC[C@]1(C)CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	758731233	YZUCTUPNFTXNRD-QGZVFWFLSA-N	307.413	3.223	10	20	DGCD	
c1csc(SCCCNCc2ccnn2CC2CC2)n1	850143070	BUHREHKSRGOICW-UHFFFAOYSA-N	308.476	3.022	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(CC2CC2)C1)c1cc2c(cc1O)CCCC2	756556918	XROPAQCIIFPGCY-RDTXWAMCSA-N	314.473	3.406	10	20	DGCD	
C[C@H](Nc1cccc(OCC(N)=O)c1)c1cc(Cl)ccc1O	756802628	SWWBAKGCUDRBPR-JTQLQIEISA-N	320.776	3.083	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(C)c(F)c2)c1	756366504	SYRSMJVUHTWULF-LBPRGKRZSA-N	317.360	3.477	10	20	DGCD	
CC(=O)c1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1	768159303	NITKLOZANGCNTJ-UHFFFAOYSA-N	323.392	3.404	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccnc1Cl	864634986	VUEZNRRCZWLNJS-UHFFFAOYSA-N	317.820	3.002	10	20	DGCD	
COc1ccc(N(Cc2noc3c2COCC3)CC2CC2)cc1	930642483	OVOGZVSNSQEVEU-UHFFFAOYSA-N	314.385	3.173	10	20	DGCD	
COc1ccc(CNC[C@H]2CCC[C@H]2NC(=O)C(C)C)cc1C	1036950368	UFVIHFCWWAGBRQ-IAGOWNOFSA-N	318.461	3.034	10	20	DGCD	
COc1cccc(CN[C@@H](C)[C@@H](OC)c2ccccc2)c1O	877525622	JOJIZRLNOWHFNA-SCLBCKFNSA-N	301.386	3.267	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCOc2cc(N)ccc2C1	873218276	BCFYIIFGCXFKMA-UHFFFAOYSA-N	311.429	3.038	10	20	DGCD	
CCC(O)(CC)CN(C)Cc1cc(Cl)cc(C(C)=O)c1O	1118907262	MXVKWVLXFSNORD-UHFFFAOYSA-N	313.825	3.231	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1CCCSC1)c1ccc(N(C)C)cc1	773627565	OZPGDCYQLYBPJD-GXTWGEPZSA-N	307.463	3.008	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(Cl)cc(F)c1O)N2	877861977	RLASIECMPMZBCY-AWEZNQCLSA-N	306.724	3.347	10	20	DGCD	
O=C(N[C@H]1CCCOc2c(F)cccc21)c1cc(O)cs1	778513407	AXCJVQPHIXZDAK-LBPRGKRZSA-N	307.346	3.237	10	20	DGCD	
CC[C@H](COCC(F)(F)F)NCc1cc(F)cc(F)c1O	883132061	DVQPXTDHOONHKY-SNVBAGLBSA-N	313.266	3.118	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)c(O)c1O	780940474	VLJOBIDHMZWJGT-UHFFFAOYSA-N	313.353	3.447	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCC[C@H](c3ccnn3C)C2)cc1	790482735	CFLWSXHJUBNEDZ-IRXDYDNUSA-N	312.461	3.302	10	20	DGCD	
COc1cc(C)cc(CN[C@H](CCCO)c2ccccc2)c1O	894285992	XEMQPIZIJLNSAI-QGZVFWFLSA-N	315.413	3.313	10	20	DGCD	
CCOCC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1	799589228	MBOZIYHGIWPIMX-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
CC1(C)CC(C(=O)NCc2ccc(N3CCSCC3)cc2)C1	795329827	SAFLPWOIAHIAPA-UHFFFAOYSA-N	318.486	3.292	10	20	DGCD	
COc1cc(Br)cc(CNCCC2(C)CC2)c1O	793199841	ZOEJHAOUUQRBDT-UHFFFAOYSA-N	314.223	3.443	10	20	DGCD	
CCCCCCC(=O)NCCNCc1ccc(OC)c(C)c1	1149807234	DMHVNXCWAQHTQR-UHFFFAOYSA-N	306.450	3.180	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)c(O)c1	794389531	PQGGINSPTQKJDS-UHFFFAOYSA-N	310.353	3.121	10	20	DGCD	
CCCC[C@H](C)C(=O)NCCCNCc1ccc(OC)c(C)c1	1157378072	CBDHJKKRVJXLNK-HNNXBMFYSA-N	320.477	3.426	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cnc(C3CC3)[nH]2)cc1	1319163286	VBYXWLNFFLYZQJ-UHFFFAOYSA-N	312.417	3.063	10	20	DGCD	
Cc1cc(CN[C@@](C)(C(=O)O)c2ccccc2)ccc1N(C)C	1605173010	QQTFLZAGJXZUMR-LJQANCHMSA-N	312.413	3.151	10	20	DGCD	
Cc1c(Br)cncc1CNCc1ccc(N)cc1	1579520098	WSCACKBEWATRFQ-UHFFFAOYSA-N	306.207	3.025	10	20	DGCD	
CN(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1	169591948	JYTZMFDAFJMYOX-UHFFFAOYSA-N	302.330	3.119	10	20	DGCD	
CCC(CC)(CNCc1cc(Cl)cc(OC)c1O)OC	312706740	GURNCAIQSRKADC-UHFFFAOYSA-N	301.814	3.349	10	20	DGCD	
C[C@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)CO1	708114989	QQQHOMVCAZQMGD-XVKPBYJWSA-N	320.614	3.075	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1ccc(Br)cn1)CC2	866568937	ICGGGUDSWREGEK-ZDUSSCGKSA-N	319.202	3.327	10	20	DGCD	
Cc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc(C)n1	43534148	WPRJTZNSLXSZHU-UHFFFAOYSA-N	305.385	3.263	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](c2ccco2)N2CCCC2)cc1	72670513	YFNYGFHKNJXXHC-SFHVURJKSA-N	313.445	3.272	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H](Cc1ccccc1)C1CC1	76987828	DCEZDGJIKJTLLM-QGZVFWFLSA-N	310.397	3.213	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C)ccc2OC)c1	114565462	JRPUPEKNAPKXCA-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
CCC(CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	122519452	SDCNPUMAPKBPQC-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
CC[C@@H](N[C@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1	130293642	SFLQXPNDUJSRAR-AZUAARDMSA-N	312.457	3.397	10	20	DGCD	
Cc1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)cc1	130322405	WKFDQDIQCYCMES-MDWZMJQESA-N	316.407	3.384	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1cccs1	173198117	CKSZNJWWEUZPKV-UHFFFAOYSA-N	316.426	3.172	10	20	DGCD	
CC(C)(C)OC(=O)CCNCc1ccc(N2CCCCC2)cc1	174434400	SBHKITHJUWLVRQ-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(F)cc1F	176209635	UFAHGUUMRLSEKV-UHFFFAOYSA-N	322.330	3.408	10	20	DGCD	
CCOCc1cc(CN[C@H](C)C(=O)OC(C)(C)C)ccc1OC	177708687	KDWQBTLRHQPPBJ-CYBMUJFWSA-N	323.433	3.052	10	20	DGCD	
C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCCC[C@H]12	180507676	LQUBEQVKKWFFSM-WJLKLRMXSA-N	301.386	3.148	10	20	DGCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCc2ccccc21	180621431	SWQHMXLBPLIHMO-BPLPYTOXSA-N	309.365	3.257	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)c2ccc(Cl)cc2)c1	182410341	YQIGUIKVXOLDKE-DIFFPNOSSA-N	321.804	3.438	10	20	DGCD	
C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1O	184982514	BYBJDIFMPNMKNL-LDYMZIIASA-N	317.216	3.018	10	20	DGCD	
C[C@H](NCc1ccc([S@](C)=O)cc1)c1cc(F)ccc1O	186095317	IBPJDTUOGOCYCO-MQJDWESPSA-N	307.390	3.120	10	20	DGCD	
C[C@@H](NC[C@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1O	187668284	SLWAMUIRHJUYQT-OTYXRUKQSA-N	311.303	3.194	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)N2CCC[C@@H](C)C2)cc1	191582456	CYEQJANEKUXJKY-OAHLLOKOSA-N	304.434	3.169	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2)c(OC)c1	269762264	CFAPKWPQTYAFJR-MRXNPFEDSA-N	305.349	3.013	10	20	DGCD	
COCCOCCCN[C@H](C)c1ccc2ccccc2c1O	273425853	UBAOVAICGDBEJQ-CQSZACIVSA-N	303.402	3.249	10	20	DGCD	
CCOc1cccc(CNC(C)(C)c2c(C)noc2C)c1O	285508606	NXEZIIAZVRNBEL-UHFFFAOYSA-N	304.390	3.421	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F	287797296	ZQGLHZBTIGGCPC-LLVKDONJSA-N	315.339	3.037	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)[C@H]2OCCc3sccc32)c1	292856272	UTHNVAJBLXTUGX-APPDUMDISA-N	319.426	3.254	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1cc(Br)ccc1O)CN(C)C	293759971	RZSGMAYRMHFULJ-QWRGUYRKSA-N	315.255	3.003	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H](O)c1ccc(Cl)cc1)CC2	296240661	ATCKIEUGYGVTPQ-ZBFHGGJFSA-N	303.789	3.356	10	20	DGCD	
CC(C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(F)c1	588407022	LNZOBSFTIBXHTG-CLFYSBASSA-N	315.344	3.302	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1scnc1Cl	734406606	XZOWVEUQPIUCOM-UHFFFAOYSA-N	309.822	3.101	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(C)(C)C)on1	741932492	SBASPGKIVZVZBK-UHFFFAOYSA-N	315.417	3.277	10	20	DGCD	
CCN(CCN[C@H](C)c1ccc(F)cc1O)CCC(F)(F)F	756051435	WQSDVDIEGXSPNZ-LLVKDONJSA-N	322.346	3.456	10	20	DGCD	
C[C@@H](NC[C@@H](C1CC1)N(C)C)c1cc2c(cc1O)CCCC2	756434400	XALYFNUYNVKVDJ-ACJLOTCBSA-N	302.462	3.262	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1Cl	757857476	URDFHTGTPSQPBL-WFASDCNBSA-N	324.852	3.480	10	20	DGCD	
CCc1ncc(CN(C)c2ccc(OCCN(C)C)cc2)s1	761222325	SZBRSKKPDBJPKO-UHFFFAOYSA-N	319.474	3.282	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCc3cc(O)ccc3C2)c1O	767729309	SYFZIBSGOJIQLI-MRXNPFEDSA-N	313.397	3.144	10	20	DGCD	
COc1ccc(N2CCN(C[C@@H]3CC=CCC3)CC2)cc1F	770301132	MIDJOZCVLBBZBO-OAHLLOKOSA-N	304.409	3.313	10	20	DGCD	
CN1CCN(c2ccc(-c3nc4cc(F)ccc4n3C)cc2)CC1	771514315	RHVSZEIILJRKLH-UHFFFAOYSA-N	324.403	3.131	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1COc2ccccc21)c1ccc(N(C)C)cc1	773015009	MXQYWGGQNLKQLO-SUMWQHHRSA-N	310.397	3.106	10	20	DGCD	
COc1ccc(O)c(CN2C[C@@H](C)Oc3ccc(OC)cc32)c1	776522402	ANUHAGJORIWHOA-GFCCVEGCSA-N	315.369	3.197	10	20	DGCD	
CC[C@H](C)n1nc(C(=O)N(C)Cc2ccccc2O)cc1C	778324068	BMHRISJJOQUNDB-LBPRGKRZSA-N	301.390	3.140	10	20	DGCD	
CC(C)CC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCC1	779529277	SSDWPOACKZPEBN-ALCCZGGFSA-N	303.402	3.444	10	20	DGCD	
CN(C/C=C\c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2	780778978	ZXPBJTDWQMGVJK-XQRVVYSFSA-N	312.325	3.473	10	20	DGCD	
Cc1cc(/C=C2/SC(=S)N(C)C2=O)cc2cccnc12	783699305	VMFJIUFBQHZXLA-XYOKQWHBSA-N	300.408	3.374	10	20	DGCD	
CCC(O)(CC)CCNC1CCN(c2ccc(OC)cc2)CC1	788260556	CJFXGQZIARLCAX-UHFFFAOYSA-N	320.477	3.195	10	20	DGCD	
C[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1	798420244	MTWBNPOLJQOLCL-RDJZCZTQSA-N	313.445	3.298	10	20	DGCD	
CC(C)c1ncc(CN(C)Cc2ccc(N(C)C)c(F)c2)cn1	799736935	MNNDTHUULVXGMB-UHFFFAOYSA-N	316.424	3.437	10	20	DGCD	
COC(=O)c1cnc(Sc2ncc(C(C)(C)C)s2)nc1	804551066	AJJNMWRWGWMJNC-UHFFFAOYSA-N	309.416	3.168	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cscn1	807835568	HSFQCPLQRAHIST-UHFFFAOYSA-N	303.170	3.086	10	20	DGCD	
CC[C@@H](CN[C@H](C)c1cc(Br)cc(F)c1O)OC	810260049	CKHMHTCIEKPIBF-SCZZXKLOSA-N	320.202	3.369	10	20	DGCD	
COc1ccc(N2CCC(NCC3CC(F)(F)C3)CC2)cc1	813781844	SXCXGLXSAJDXBD-UHFFFAOYSA-N	310.388	3.299	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCn1cnc2ccccc21	816541832	VWUNTEYTNMMGNN-UHFFFAOYSA-N	319.767	3.324	10	20	DGCD	
CC(C)n1cnnc1CN(C)Cc1ccc2ccccc2c1O	816616701	CRVNZFXJSMAEOW-UHFFFAOYSA-N	310.401	3.350	10	20	DGCD	
CCCN1C[C@@H](CN[C@H](CC)c2cccc(Cl)c2O)CC1=O	817588997	KQIBZEQHIDCJEZ-IUODEOHRSA-N	324.852	3.345	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@H](C)c2cc(F)ccc2O)s1	818355516	HAPRGKHNKXLEII-RKDXNWHRSA-N	324.377	3.186	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)C3=C(C)CCC3)C2)cc1	819586450	QEDAAEAFGYZIMX-HNNXBMFYSA-N	314.429	3.138	10	20	DGCD	
CCc1nsc(NC[C@@H]2CCN(c3ccc(OC)cc3)C2)n1	819937054	YXZKYCAPEZTQIX-LBPRGKRZSA-N	318.446	3.048	10	20	DGCD	
COCCC1(NCc2ccc(Br)cc2O)CCC1	825749115	OIKXGTDBZIYGDC-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC3(CCC3)C2)c1O	830716577	WYNIMUGNKARGNY-LLVKDONJSA-N	323.820	3.392	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1	836237115	WILXXKWPNUWSQE-ROUUACIJSA-N	313.445	3.083	10	20	DGCD	
Nc1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1	837302843	JMMBBJRBYICOBH-UHFFFAOYSA-N	322.408	3.037	10	20	DGCD	
C[C@@H]1CC(C)(C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1	840282001	YNZXPYQEPGYQBJ-GFCCVEGCSA-N	307.413	3.222	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]2C[C@@H]21	840483879	LXIQYNHCUMBCNT-LESCRADOSA-N	315.461	3.186	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cccc(Cn2cncn2)c1	840922312	AFJVVZVOWHILNV-UHFFFAOYSA-N	321.428	3.313	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@](C)(O)c2cccs2)c1O	846144346	KMAYGKQSOMIXGC-MEDUHNTESA-N	307.415	3.021	10	20	DGCD	
CCCCn1cc(C(=O)NCc2cc(Cl)ccc2O)c(C)n1	846472850	GFNZPUCWIYDRPM-UHFFFAOYSA-N	321.808	3.281	10	20	DGCD	
CCc1cccc(CNc2cccc(CS(C)(=O)=O)c2)c1O	848892451	WZBVVWQXNXKJAG-UHFFFAOYSA-N	319.426	3.111	10	20	DGCD	
COc1cc(CNC[C@H](CO)CC2CC2)c(O)c(C(C)(C)C)c1	850389034	RWVDTIHJSCJIPX-CQSZACIVSA-N	321.461	3.197	10	20	DGCD	
CC(=O)N(C)c1ccc(CN[C@H]2CCc3cccc(O)c32)cc1	858496589	ABLKGOKKRQKMEL-KRWDZBQOSA-N	310.397	3.152	10	20	DGCD	
CC[C@@H](CNC(=O)NCc1cc(C)ccc1O)CC(F)(F)F	858540270	ZVXBDALUCVASPC-LLVKDONJSA-N	318.339	3.478	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc3nonc3c2)c2c(O)ccc(F)c21	903323243	DICBIDUZHWYMGZ-XPTSAGLGSA-N	313.332	3.406	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c(C)cc(C)nc2C)c1	907060881	PZLHKAKRQUNGDH-LBPRGKRZSA-N	314.385	3.212	10	20	DGCD	
Cc1ccc(Cl)c(OC[C@@H](O)CN(C)c2ccc(N)cc2)c1	923400755	OBQFTCZVUZBNJU-HNNXBMFYSA-N	320.820	3.107	10	20	DGCD	
CCC(=O)N1CCCCC[C@@H](NCc2ccc(OC)c(C)c2)C1	1088242790	GRESUBMFFDLATJ-QGZVFWFLSA-N	318.461	3.274	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1C	1116443245	LLDGTPZXTDPDEI-HOTGVXAUSA-N	319.468	3.198	10	20	DGCD	
CCN1CCC[C@H](CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)C1	1116565794	XDISXFBNVGBZRE-GZBFAFLISA-N	306.425	3.401	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)NC(C)(C)CF)cc2)CC1	1116633369	ADFXMMYVJPPFNS-UHFFFAOYSA-N	321.440	3.470	10	20	DGCD	
COC[C@H](N[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21)[C@@H]1CCCO1	1116853457	HBOPHCGCIYFFIE-NYTXWWLZSA-N	305.418	3.033	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)(C)C1(C)C	1318909500	LZAAGVJELXQTDR-UHFFFAOYSA-N	303.450	3.391	10	20	DGCD	
CC(=O)N[C@H](C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1	1345623639	DTFIRCDWFCHMBA-GFCCVEGCSA-N	324.384	3.341	10	20	DGCD	
CC(C)CN(CCC(=O)O)Cc1ccc2ccccc2c1O	1591332552	JMVIACDMWBFUAS-UHFFFAOYSA-N	301.386	3.478	10	20	DGCD	
COc1cccc(O)c1CNc1cc(C(=O)O)c(C)cc1C	1599680279	JNPNBNSAYRGXJB-UHFFFAOYSA-N	301.342	3.328	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)c(Cl)c1	1600285832	HGOHNYAMRIEBPE-MJVIPROJSA-N	309.793	3.039	10	20	DGCD	
C[C@@H](CCc1ccccc1)CNCc1ccc(C(=O)O)cc1O	1776416943	DIKNYXDEFYLKFX-AWEZNQCLSA-N	313.397	3.449	10	20	DGCD	
FC(F)Oc1ccc(N2CCC[C@H](NCc3cc[nH]c3)C2)cc1	175714268	XOVDQEJTOVZYIL-AWEZNQCLSA-N	321.371	3.375	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C)(O)CC2)cc1	177730988	UVCQODLQAKCFPW-UHFFFAOYSA-N	312.413	3.081	10	20	DGCD	
CCCCNC(=O)C1CCN(Cc2cccc(Cl)c2O)CC1	179699418	PJMKCDSFEZSDTA-UHFFFAOYSA-N	324.852	3.174	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cccc3cccnc23)c1	114512480	JVGDMYYKZDMVPT-UHFFFAOYSA-N	323.352	3.271	10	20	DGCD	
CN1C(=O)/C(=C\c2ccc3c(c2)CC(C)(C)O3)SC1=S	171770348	IGPMYHXUFNUXGG-KPKJPENVSA-N	305.424	3.231	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)c2ccccn2)c(C)n1-c1ccccn1	77658075	MVTGMSISEYJDHV-AWEZNQCLSA-N	320.396	3.375	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cn3cc(C)ccc3n2)c1	182462395	BWUISWTVEQKKPI-ZDUSSCGKSA-N	311.385	3.208	10	20	DGCD	
CCOc1cccc(CN(CCCN)c2cccc(F)c2)c1O	183222369	MOQNKDOFMHMNEP-UHFFFAOYSA-N	318.392	3.285	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2occc2[nH]1	131510715	MWTYLASSLWHHKG-UHFFFAOYSA-N	311.385	3.489	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCC(=O)OC(C)(C)C	192434113	ZGBYBENYWMCTMW-UHFFFAOYSA-N	321.417	3.253	10	20	DGCD	
CC(C)C[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	43432344	LAMKKDQSVRPUAF-NSHDSACASA-N	306.189	3.288	10	20	DGCD	
C[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccc(N(C)C)cc1	90221161	GWJRRLXDDPKBFR-JLCFBVMHSA-N	316.470	3.341	10	20	DGCD	
COCC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccco1	273409197	HMLVJEMAQVGPDV-FZMZJTMJSA-N	320.345	3.322	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc(F)cc2O)c(OC)c1	273441886	YVKZCOOFOYYZIO-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
CCc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2O)s1	278900862	QZTISZQMYQTSOR-UHFFFAOYSA-N	322.386	3.223	10	20	DGCD	
CCNC(=O)C1(CN[C@H](C)c2ccc(N(C)CC)cc2)CCC1	277088127	GEKGKGDKYJJDJX-OAHLLOKOSA-N	317.477	3.100	10	20	DGCD	
CC(C)N1C[C@H](N[C@@H](C)c2ccc3ccccc3c2O)CC1=O	273449180	FOSOMCYAKPMEMF-DZGCQCFKSA-N	312.413	3.205	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CCN(c3ccccn3)C2)c(O)c1	284972335	FVHYROQYVRECDL-JKSUJKDBSA-N	311.429	3.334	10	20	DGCD	
COC(=O)[C@@H](C)NCc1ccc(N(C)Cc2cccs2)cc1	294847908	URZFAGHRPRRUSN-CYBMUJFWSA-N	318.442	3.036	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(Cl)c(O)cc1F	805255366	OXINJBGYHJKTOF-DUXPYHPUSA-N	323.707	3.248	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H](C(N)=O)c2ccccc2)c1O	808674005	MGANXQHQHDIYON-ABAIWWIYSA-N	318.804	3.231	10	20	DGCD	
CCCCCOCC(=O)NCc1c(C)c2ccccc2n1C	471237601	DFLXWCBGSJYCKR-UHFFFAOYSA-N	302.418	3.310	10	20	DGCD	
CN(C)C[C@H](NC(=O)c1cc(O)cs1)c1ccc(Cl)cc1	802679838	QXAOAMKZYJMEJJ-ZDUSSCGKSA-N	324.833	3.140	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1O	815583041	VNHUGXZMNCUXPU-YGOYTEALSA-N	323.380	3.174	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCc1ccc2c(c1)OCO2	816530601	NYDJBXNHAGKNJJ-UHFFFAOYSA-N	323.751	3.246	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCCN1)CCO2	817902543	TWERPXGPEIBYOY-KZNAEPCWSA-N	300.446	3.022	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@@H](C)CCCN)c1O	817977872	QWDZLAWUDXIJAQ-QWRGUYRKSA-N	315.255	3.241	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1cccc2nc(O)[nH]c12	816890648	RLTAEPQBYUQPQA-UHFFFAOYSA-N	322.368	3.121	10	20	DGCD	
Cc1cc(CN2CCC(c3c[nH]nc3C)CC2)ccc1N(C)C	815114012	LQGAZTTZPBXMFI-UHFFFAOYSA-N	312.461	3.472	10	20	DGCD	
Oc1ccc2c(c1)CCN(Cc1cc(Cl)c(F)cc1O)CC2	816498787	MBJJZLGKMYKFKQ-UHFFFAOYSA-N	321.779	3.491	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCSC[C@@H]1c1ccccc1	827935488	YRDUIBRIYSWDIU-CYBMUJFWSA-N	305.424	3.384	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c(C)oc(C)c2C)c1	729536494	GCJGILUDFLRFGP-JTQLQIEISA-N	303.358	3.410	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)NCC1CCC1	726865359	AHBZUNJRMHGSMF-UHFFFAOYSA-N	315.442	3.096	10	20	DGCD	
Cn1cnc(/C=C\C(=O)N2CCCc3cccc(Cl)c32)c1	903051932	CDQLWFFEBSGQMM-FPLPWBNLSA-N	301.777	3.066	10	20	DGCD	
O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(O)cs1	731866957	LTJVICZHRPAPAF-UHFFFAOYSA-N	323.443	3.148	10	20	DGCD	
COCc1cc(NCc2ccc(N(C)C)cc2)cc(C(=O)O)c1	901739250	MVXNHSKEFBUHNC-UHFFFAOYSA-N	314.385	3.209	10	20	DGCD	
C[C@H]1CCC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	839146527	KVDYOLXEDDGVLC-LRDDRELGSA-N	310.388	3.080	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(=O)CC2)c1C	913623127	HQRKMLWVDIQGTO-UHFFFAOYSA-N	310.397	3.208	10	20	DGCD	
COc1cc(O)c(CN2CC(Cc3ccccc3)C2)cc1OC	839128083	LOBODDCMFYCXNH-UHFFFAOYSA-N	313.397	3.084	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2nccn2C(C)C)cc1	844401386	MYFCNAIYOXZPCU-UHFFFAOYSA-N	316.449	3.041	10	20	DGCD	
Cc1c(-c2nc(Cc3ccc(N)cc3)no2)oc2c1C(=O)CCC2	843159290	OLDULBKEWRRPEC-UHFFFAOYSA-N	323.352	3.330	10	20	DGCD	
CCCCO[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C1(C)C	841299528	IJDUNLVHJGDMMC-GJZGRUSLSA-N	305.422	3.374	10	20	DGCD	
CCc1cccc(CN2CC[C@@H](CN3CCCCC3)C2)c1O	848887997	KBVDTRFPPDOHLW-INIZCTEOSA-N	302.462	3.262	10	20	DGCD	
CCCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(N)cc1	841022463	NDECTQIODUYBHH-UHFFFAOYSA-N	317.433	3.026	10	20	DGCD	
CN(CCCOC(C)(C)C)Cc1ccc(N2CCOCC2)cc1	756784266	SKKXTPRZTVDIQB-UHFFFAOYSA-N	320.477	3.160	10	20	DGCD	
C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1O	756608154	JELYVQCUAZHLMC-JTQLQIEISA-N	322.311	3.472	10	20	DGCD	
CC(=O)N(C)c1ccc(CN[C@@H](C)c2cc(F)ccc2O)cc1	858496980	WUKNIEKEIQYMMB-LBPRGKRZSA-N	316.376	3.365	10	20	DGCD	
C[C@H]1C[C@H](NCCC2CCN(C)CC2)c2c(O)ccc(F)c21	756546845	SHIRRNZRLKLTCP-WFASDCNBSA-N	306.425	3.401	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCOC[C@H]2CCOC2)c(O)c1C	756602956	HBIPMWYWIWODDC-HZPDHXFCSA-N	307.434	3.103	10	20	DGCD	
Cc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1F	760473548	CYRIVQZERZCKRV-UHFFFAOYSA-N	312.388	3.447	10	20	DGCD	
CC(C)(C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	760987987	HAJVJEAIBDYIEB-UHFFFAOYSA-N	324.808	3.246	10	20	DGCD	
CC[C@@H](CC(F)(F)F)NCc1cc(OC)c(OC)cc1O	761229872	VKJZHJZGFZMRDO-JTQLQIEISA-N	307.312	3.230	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc(-c2cc[nH]n2)s1	762047655	CUDIXIHCLSRXJD-UHFFFAOYSA-N	313.382	3.116	10	20	DGCD	
C[C@@H](NC1CCN(CCC(F)(F)F)CC1)c1ccccc1O	877756591	WLASQORNFZNLHH-GFCCVEGCSA-N	316.367	3.460	10	20	DGCD	
Cc1ccc2c(c1)N[C@H](c1cc(F)c(N(C)C)cc1F)NC2=O	877865921	LZNCEWYMVLDVOF-INIZCTEOSA-N	317.339	3.193	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)CCC[C@@H]2C)c1O	774905799	RVWQDDWSTQEEHM-RYUDHWBXSA-N	308.378	3.320	10	20	DGCD	
Cc1cccc(O)c1CN1CCC(OC[C@H]2CCCCO2)CC1	876790473	JAUNECZNXVMIKX-QGZVFWFLSA-N	319.445	3.251	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)[C@@H]2CCCOC2)ccc1OC	779989114	UQCQPEDCONFWBE-GOEBONIOSA-N	307.434	3.136	10	20	DGCD	
CC[C@H](C)n1nc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C	779543817	FVEQORYVUVMLKF-IOCXFXADSA-N	315.373	3.226	10	20	DGCD	
CCCOc1ccc(CNCc2nn(C)cc2Cl)cc1C	873130692	GEIYKVZGOXFZEN-UHFFFAOYSA-N	307.825	3.461	10	20	DGCD	
CCCCC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775830418	IEVYQERJSDSZFT-CVEARBPZSA-N	319.493	3.488	10	20	DGCD	
Cc1ccc(CN[C@@H](CN2CCCC2=O)c2ccccc2)c(O)c1	876940285	TVVWDAUSRVGPCV-SFHVURJKSA-N	324.424	3.154	10	20	DGCD	
CC[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O	886801663	QPAGPQJEZANUCE-PWSUYJOCSA-N	311.731	3.400	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C(F)(F)c2ccc(C)cc2)c1	780514990	RKVCWLNRGRHGMV-UHFFFAOYSA-N	321.323	3.117	10	20	DGCD	
CN(Cc1cccc2c1OCCCO2)c1ccc2c(c1)OCO2	780778974	ZPIVNZNBEGCQQQ-UHFFFAOYSA-N	313.353	3.213	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)c2cc(OC)ccc2O)n1	784265523	KLVCZJQENBEDLY-LBPRGKRZSA-N	302.374	3.045	10	20	DGCD	
CCC(C)(C)N(C)C(=O)NCCCSc1nccs1	798437919	PYLXDFGOKSIVTL-UHFFFAOYSA-N	301.481	3.455	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c(O)c1	792977437	WHNDZKNXMKTGLI-WFASDCNBSA-N	320.433	3.415	10	20	DGCD	
OC[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1	796306934	GLJVCLDNABPHFF-HXUWFJFHSA-N	322.452	3.110	10	20	DGCD	
C/C=C\C[C@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F	793083289	BRXDPUWQVCNKMO-DSYXLKISSA-N	316.367	3.188	10	20	DGCD	
Cc1cccc2c1C(=O)N[C@@H](c1ccc(N3CCCC3)cc1)N2	1317901754	QXGSWMBQEFDNDQ-SFHVURJKSA-N	307.397	3.449	10	20	DGCD	
C[C@H](CCc1ccco1)N[C@H](C)c1cc(C(=O)O)ccc1O	1609740392	DYIQMBDSGXAFQH-VXGBXAGGSA-N	303.358	3.355	10	20	DGCD	
O=C(O)[C@@]12C[C@@H](NCc3cc(-c4ccccc4)ccc3O)C[C@@H]1C2	1602208057	RXWDWTYLIAFDLJ-UWVAXJGDSA-N	323.392	3.402	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2ncc(C(=O)O)s2)ccc1N(C)C	1600202928	CCOHWSHYTCVHNB-NSHDSACASA-N	319.430	3.067	10	20	DGCD	
CN(C)c1ccc(CNCc2c(C(=O)O)[nH]c3ccccc23)cc1	1598320381	BCTSSNCFCKKFNT-UHFFFAOYSA-N	323.396	3.222	10	20	DGCD	
CCN(C)c1ccc(CNCc2occc2C(=O)O)c(C)c1	1776856498	GRVGCSNNZOCFPZ-UHFFFAOYSA-N	302.374	3.032	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)CCCO)c(C)n1-c1ccc(F)cc1	155895050	LVMLRNWGLPYDHQ-GFCCVEGCSA-N	318.392	3.124	10	20	DGCD	
C[C@@H]1CSC[C@H]1NCc1cc(Br)cc(F)c1O	715768161	BWRKFSWABCGALW-RDDDGLTNSA-N	320.227	3.135	10	20	DGCD	
Cc1cccc(O)c1CNCCCN(C)C(=O)OC(C)(C)C	877017894	WNYWKAKZOUJZGJ-UHFFFAOYSA-N	308.422	3.047	10	20	DGCD	
CC(C)(C)C[C@H](O)CNCc1cc(Br)ccc1O	227372722	YESPOLBWHPUTNK-LBPRGKRZSA-N	316.239	3.041	10	20	DGCD	
C[C@@H]1CCN(Cc2ccccc2O)CCN1Cc1ccccc1	179582817	ZPZHJEANIBXIGH-QGZVFWFLSA-N	310.441	3.489	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCC2CCOCC2)cc1	173611698	SVDQJXNTWXJDLI-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)c(Cl)c1	128500779	HACGAMVZAWDPLX-UHFFFAOYSA-N	324.739	3.255	10	20	DGCD	
COc1ccc(NC(C)=O)cc1NCc1ccc(N(C)C)cc1	121995508	FOYZACDQTOJYKB-UHFFFAOYSA-N	313.401	3.332	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCCC2(C1)OCCO2	184720474	ZWVYKWBRZAQUMU-UHFFFAOYSA-N	316.445	3.016	10	20	DGCD	
C[C@H](Cc1ccccc1F)C(=O)N(C)Cc1ccccc1O	130525180	NGOKDUQPMWHFCR-CYBMUJFWSA-N	301.361	3.369	10	20	DGCD	
COc1cccc(CNC(C)(C)COCc2ccccc2)c1O	282303807	RZBKNHWVDUCKSN-UHFFFAOYSA-N	315.413	3.486	10	20	DGCD	
Cc1cc(C(=O)N2CCCCO2)c(C)n1-c1ccc(C#N)cc1	190040258	IANKZYPAHAILPW-UHFFFAOYSA-N	309.369	3.133	10	20	DGCD	
Cc1ccc(OC2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1	237776632	POEMOEUNEAMZEH-UHFFFAOYSA-N	324.424	3.190	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCOC[C@H]2CCOC2)cc1	247947609	DRCSLCSGLHDJCZ-IAGOWNOFSA-N	320.477	3.237	10	20	DGCD	
CCC[C@](C)(O)CN[C@@H](C)c1ccc(Br)cc1O	273622717	ZLXWWHWYYUSELM-HZMBPMFUSA-N	316.239	3.356	10	20	DGCD	
CC[C@@H](NCCCOC1CCOCC1)c1ccc(F)cc1O	286091890	MCDQHIDHZCMUSP-MRXNPFEDSA-N	311.397	3.158	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCC[C@H]2c2cc[nH]n2)c1	289567827	SFSUZGSQTBHARX-INIZCTEOSA-N	301.390	3.241	10	20	DGCD	
CCOc1cccc(CNCCC2C[C@H](C)O[C@@H](C)C2)c1O	801732825	YMWYVHYSPCQQFS-KBPBESRZSA-N	307.434	3.474	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCOC(C)C	802290779	YQKRQGHZUOXDOZ-UHFFFAOYSA-N	308.422	3.129	10	20	DGCD	
Cc1ccc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1	291705621	PIRPXJYZICNEQU-LLVKDONJSA-N	319.426	3.148	10	20	DGCD	
Cc1nsc(C)c1C(=O)NCCCSc1nccs1	815590927	OUZUDGBXCWLPIO-UHFFFAOYSA-N	313.473	3.129	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCOc1ccccc1F	816528776	RBKRHPJMPQTWSS-UHFFFAOYSA-N	313.731	3.492	10	20	DGCD	
CCN1CCC(CNCc2cc(Cl)c(F)cc2O)CC1	816548485	JHUZFUGBXDJXIC-UHFFFAOYSA-N	300.805	3.006	10	20	DGCD	
O[C@@H](CNCc1ccc(N2CC=CC2)cc1)c1ccccc1F	819094788	MGFYGPNPEMDEFT-IBGZPJMESA-N	312.388	3.025	10	20	DGCD	
COc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)cc1C	810165608	XCQBHISVEHDIET-QUCCMNQESA-N	311.425	3.259	10	20	DGCD	
C[C@H](NCC[C@H]1CCNC1)c1ccc(Cl)c(Cl)c1O	817955132	QTMQFUJSTOSYKQ-VHSXEESVSA-N	303.233	3.349	10	20	DGCD	
Cc1cc(CN(C)CC[C@@H]2CCCCN2C)ccc1N(C)C	815054067	FXDHSKIVYHPQKP-SFHVURJKSA-N	303.494	3.367	10	20	DGCD	
CC(C)(C(=O)O)c1ccc(NC(=O)c2cc(O)cs2)cc1	826127542	XNDRPGQPZULOBE-UHFFFAOYSA-N	305.355	3.068	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(OCCF)c1	588407469	TVRAZEUUIGQCLW-ALCCZGGFSA-N	317.316	3.098	10	20	DGCD	
CC[C@@H]1CC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	839145542	PZQWGNRCRKCODF-CZUORRHYSA-N	310.388	3.080	10	20	DGCD	
CC[C@@H](OC1CCCC1)C(=O)N(C)Cc1ccc(N(C)C)cc1	733126553	VMHVZAIQXVEBRK-GOSISDBHSA-N	318.461	3.449	10	20	DGCD	
C[C@H](NCC[C@@H](O)C1CC1)c1ccc(N2CCCCC2)cc1	903406452	VOIOXWSWBVGNGK-HNAYVOBHSA-N	302.462	3.489	10	20	DGCD	
O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(O)cs1	731866421	NFBZSGUSCJZPMA-GFCCVEGCSA-N	322.455	3.082	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	916584304	AGXKQCNXGFQUKZ-BPKGMFCQSA-N	314.429	3.358	10	20	DGCD	
COc1cccc2c1OC[C@@H](NCc1cc(C)c(C)cc1O)C2	742369421	GKABYCFEQKXHJV-INIZCTEOSA-N	313.397	3.111	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCc1nc2ccccc2o1	917309063	FDFGRPUJYSTNNM-UHFFFAOYSA-N	310.353	3.125	10	20	DGCD	
COC(=O)/C(C)=C/CN(C)c1ccc(-c2nccs2)cc1	846995837	PSMPHRSRDYTJMP-XYOKQWHBSA-N	302.399	3.366	10	20	DGCD	
CCS[C@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1	841850598	XQJNCCVDXDHZIB-HOTGVXAUSA-N	321.490	3.175	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CC2(CSC)CC2)c1	845833960	PEWLZBNEYNPJIE-NSHDSACASA-N	309.431	3.111	10	20	DGCD	
CC[C@@H](CCNCc1cc(Cl)cc(Cl)c1O)C(=O)O	841820264	OPZYERJCONQWSR-QMMMGPOBSA-N	306.189	3.290	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC(F)(F)C1	844990067	KWGPZOBDJWIONX-UHFFFAOYSA-N	311.376	3.002	10	20	DGCD	
Cc1cc(Br)c(O)c(CN2CCC[C@@H](F)C2)c1	846121331	YJOJTEDGKYYICS-LLVKDONJSA-N	302.187	3.397	10	20	DGCD	
O=C(O)CC[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1	841805271	LTHNQUKTHVMDDQ-KRWDZBQOSA-N	311.381	3.317	10	20	DGCD	
COc1ccc(OC)c(CN[C@H](C)c2cccc(OC)c2O)c1	846135265	BKOKFLPTZJGCGA-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
CC[C@H](NCc1cc(C2CC2)nn1C)c1ccc(F)cc1O	927102537	SLBDXTDEUWBDDF-HNNXBMFYSA-N	303.381	3.383	10	20	DGCD	
Cc1ccc2nc(CN[C@H](C)c3cc(F)cc(F)c3O)cn2c1	756532886	GUOYPHADIGWSAS-LLVKDONJSA-N	317.339	3.477	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](CCO)c2cccs2)c1O	754392688	CCLWSQMHWCSIOG-CQSZACIVSA-N	323.389	3.009	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@@H]2COC3(CCCC3)O2)c2c(O)ccc(F)c21	756785955	HCVLLGGNJFRMRW-YRGRVCCFSA-N	321.392	3.355	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC(F)(F)Br)c1	851899767	FOCZZHZEZWZERK-ZETCQYMHSA-N	310.138	3.039	10	20	DGCD	
CCn1ccnc(NCc2cc(C)n(-c3ccccc3)c2C)c1=O	858802598	LYJWMGZRTMSFPJ-UHFFFAOYSA-N	322.412	3.283	10	20	DGCD	
CC[C@@H](NCC(C)(C)[C@]1(O)CCCOC1)c1ccccc1O	850561078	HXAMYSRPDWNDTP-QAPCUYQASA-N	307.434	3.001	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2cc(F)ccc2C)cc1	753592066	QMNDWBNBEUBCQO-UHFFFAOYSA-N	317.360	3.322	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@H]2CCCN(C)C2)cc1F	768545736	CJAOUCLAXVYMPV-KRWDZBQOSA-N	321.484	3.446	10	20	DGCD	
C[C@@H](CCc1ccco1)NC(=O)N[C@H](C)c1ccccc1O	867984831	PHNIHUBJMPBPJA-QWHCGFSZSA-N	302.374	3.367	10	20	DGCD	
CCOc1cccc(CN(C)[C@@H]2C[C@H](OCC)C2(C)C)c1O	769472904	KRVJSMPDFOSTOR-CVEARBPZSA-N	307.434	3.426	10	20	DGCD	
CCC1(NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCOCC1	761335470	SKSSMCFYRUMGDT-UHFFFAOYSA-N	314.769	3.003	10	20	DGCD	
NCc1ccc2c(c1)CCCN2CC1=Cc2ccccc2OC1	863642341	XWHVZEAMMWMFNV-UHFFFAOYSA-N	306.409	3.374	10	20	DGCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccccc1	768465607	IVPKJZBORJKJBV-LLSQANQASA-N	311.381	3.011	10	20	DGCD	
CC(C)N(C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)C(C)C	775833347	BWVOWYAUNBGXNT-HNNXBMFYSA-N	305.466	3.049	10	20	DGCD	
CC(C)C[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1	775652773	SLCBNAQRIPZJEN-FQEVSTJZSA-N	315.505	3.449	10	20	DGCD	
S=C(NCc1ccc(N2CCCC2)cc1)NCC1CCC1	1115960968	GFZAGUQYPICCDV-UHFFFAOYSA-N	303.475	3.051	10	20	DGCD	
COC(=O)c1cccc(CN(C)c2ccc(OC(C)C)cc2)n1	773888752	NPAMMKYHUAAUSC-UHFFFAOYSA-N	314.385	3.292	10	20	DGCD	
Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)c1ccc(N)cc1	877077352	DZJOCAYXKRLCGK-UHFFFAOYSA-N	323.400	3.179	10	20	DGCD	
COc1ccc(C2(NCc3cc(F)cc(F)c3O)CC2)cc1	882990966	HDNRBKURCKXEJB-UHFFFAOYSA-N	305.324	3.458	10	20	DGCD	
O=C(NC[C@H]1CCCc2ccccc21)c1c(F)ccc(O)c1O	789954058	AQOVQCMXHSFEEO-GFCCVEGCSA-N	315.344	3.087	10	20	DGCD	
C[C@H](CN[C@H](C)c1c(O)cccc1F)NC(=O)OC(C)(C)C	886603110	HKHZKOXYYANVLT-GHMZBOCLSA-N	312.385	3.095	10	20	DGCD	
COCc1cc(NCc2ccc(N3CCCCC3)cc2)ncn1	782136981	YUPWUNUHKAJERQ-UHFFFAOYSA-N	312.417	3.225	10	20	DGCD	
COc1ccc(CNCCNC(=O)C(C)(C)C(C)(C)C)cc1C	1132421813	VNUCZIRTVQZZIQ-UHFFFAOYSA-N	320.477	3.282	10	20	DGCD	
COc1ccc(CNC[C@H]2CCCCC2(F)F)c(O)c1OC	894664395	UTMNIPFUJSJSOM-GFCCVEGCSA-N	315.360	3.325	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cnc(Cl)c(C)c2)c(O)c1	797634075	PVMOPKWJEGWNDS-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(F)cc(Cl)c2)c(O)c1	794387697	JUWJKUFMOLKWMD-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
COc1ccc(N(C)Cc2ncnn2-c2ccccc2)cc1F	799128871	UVPNNRUYJQCHDS-UHFFFAOYSA-N	312.348	3.051	10	20	DGCD	
CC(C)(C)[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	794706331	OVZRDCCQHSSANP-CZUORRHYSA-N	305.418	3.076	10	20	DGCD	
C[C@H](NC(=O)N(C)CCC(F)(F)F)c1ccc(N(C)C)cc1	1325809167	ZTRIFSUABXXBER-NSHDSACASA-N	317.355	3.407	10	20	DGCD	
CN1CC[C@@H]2[C@H](CCCN2Cc2ccc(N3CCCC3)cc2)C1	1261186397	FWKYBICKVSEDPM-UYAOXDASSA-N	313.489	3.203	10	20	DGCD	
C[C@H](Nc1nc(Cl)nc2[nH]cnc12)c1ccc(N(C)C)cc1	1343001301	NYCGEFVRHVXYSW-VIFPVBQESA-N	316.796	3.245	10	20	DGCD	
Cc1nc(C(C)(C)NC(=O)NCc2ccc(N)cc2)sc1C	1357791536	NSGMJHFASULUFM-UHFFFAOYSA-N	318.446	3.077	10	20	DGCD	
C[C@@H](N[C@@H](CO)CC1CCCCC1)c1cc(C(=O)O)ccc1O	1609778743	XOVKTELEQVZKEF-IUODEOHRSA-N	321.417	3.072	10	20	DGCD	
O=C(O)c1cnc(SCc2cnn(-c3ccccc3)c2)s1	1602534718	HOOFXNOBJRXVHQ-UHFFFAOYSA-N	317.395	3.319	10	20	DGCD	
CCOC(=O)[C@@H](c1ccccc1)N1CCCc2cc(CN)ccc21	1577925593	LOYFEFHOVHZTDU-LJQANCHMSA-N	324.424	3.202	10	20	DGCD	
COCCn1c(C)cc(C(=O)CSc2nccs2)c1C	64660418	KICZGPVPCHACFB-UHFFFAOYSA-N	310.444	3.183	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)c2nc[nH]n2)c1C	176740144	BOWHIKJZIWBNES-ZDUSSCGKSA-N	323.400	3.012	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@]12CCc1ccccc12	175507451	APTAPWISFQDQSR-XLIONFOSSA-N	307.393	3.255	10	20	DGCD	
CCC(CC)(CO)CNCc1cc(Br)ccc1O	120483653	HQBUTBZHSAISHN-UHFFFAOYSA-N	316.239	3.043	10	20	DGCD	
Cc1cccc(NCc2ccc(N3CCC(CO)CC3)cc2)n1	114184840	KIUJVCOGVRWQQH-UHFFFAOYSA-N	311.429	3.211	10	20	DGCD	
Oc1ccccc1CN1CCC([C@H](O)c2ccc(F)cc2)CC1	305749317	XCFDZIABRWAVPN-LJQANCHMSA-N	315.388	3.477	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H](C)C3)CC2)cc1	129586606	PLPZOURDMXRLLM-CVEARBPZSA-N	316.445	3.170	10	20	DGCD	
C[C@@H](NCc1ccc(C(N)=O)cc1)c1cc2c(cc1O)CCCC2	184862264	PRJBVTZKDXMGRK-CYBMUJFWSA-N	324.424	3.221	10	20	DGCD	
Cc1cc(Br)cc(C(=O)NCc2ccccc2O)c1	158302962	JQPUYVVIDNSLBY-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
C[C@H](CCc1ccco1)NC(=O)N(C)Cc1ccccc1O	43725357	NZWAKBJWUBYMJB-CYBMUJFWSA-N	302.374	3.148	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc(F)c2F)c1	88360171	AMFBECZIWYFNMW-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
Cc1cn2nc(NCc3ccc(N4CC=CC4)cc3)sc2n1	265829613	KJUCWDRFUPRANH-UHFFFAOYSA-N	311.414	3.088	10	20	DGCD	
CC[C@@H](N[C@@H]1CCc2nc(C)ncc2C1)c1ccc(F)cc1O	367599891	ILCJFBRUNRWKKN-GDBMZVCRSA-N	315.392	3.228	10	20	DGCD	
Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3cc(C)ccc3O)n2)c1	278827890	URVDIGVQKCSCFP-CYBMUJFWSA-N	323.400	3.040	10	20	DGCD	
COCC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccco1	273412446	IAMJDBMOPVHNPS-SWLSCSKDSA-N	305.374	3.422	10	20	DGCD	
C[C@@H](NCC1([C@H](C)CCO)CCC1)c1cc([N+](=O)[O-])ccc1O	273501124	QFLRMNIPQGJKTF-CHWSQXEVSA-N	322.405	3.140	10	20	DGCD	
C[C@@H](N[C@H]1CCOC2(CCCC2)C1)c1cc([N+](=O)[O-])ccc1O	273350581	BOHQBWAOQDEKAF-OLZOCXBDSA-N	320.389	3.443	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2ncnn2C(C)(C)C)c(O)c1	285089273	JXJXFSPEEUAAFU-CYBMUJFWSA-N	302.422	3.206	10	20	DGCD	
Cc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2)s1	289407218	UILFWIMOSZPSHQ-UHFFFAOYSA-N	302.443	3.372	10	20	DGCD	
Oc1ccc(F)cc1CNCc1ccccc1Cn1ccnc1	809793885	QTERKOLUPVYPFX-UHFFFAOYSA-N	311.360	3.066	10	20	DGCD	
CCOc1cc(NCc2cc(Cl)cc(Cl)c2O)ncn1	808088829	CYPKXYIAANFWDA-UHFFFAOYSA-N	314.172	3.500	10	20	DGCD	
C[C@H](NC[C@H](C)CCCO)c1cc(Br)ccc1O	295859856	BKIGBWSWOSTGKW-MNOVXSKESA-N	316.239	3.214	10	20	DGCD	
CCN(C)c1ccc(CN(C)C[C@H](O)Cc2ccccc2)cc1	815122433	VPIZMQDPXWGDCV-HXUWFJFHSA-N	312.457	3.178	10	20	DGCD	
C[C@H](NC[C@@H]1CCCNC1)c1ccc(Cl)c(Cl)c1O	817945654	IVJZLNXFFCYUBO-VHSXEESVSA-N	303.233	3.349	10	20	DGCD	
CC[C@@H](N[C@H]1CCCNC1)c1ccc(C(F)(F)F)cc1O	817941894	SVYIAVYWXXFMHL-WCQYABFASA-N	302.340	3.204	10	20	DGCD	
Cc1cc(CN[C@]2(CO)CCCc3ccccc32)ccc1N(C)C	815107099	GCYKFHNXIQFXJA-NRFANRHFSA-N	324.468	3.375	10	20	DGCD	
CCOCc1cc(CNCC2(OC)CCCC2)ccc1OC	824445491	BEKRTDGFCKYNQX-UHFFFAOYSA-N	307.434	3.281	10	20	DGCD	
COC(=O)c1cnc(SCc2noc3c2CCCC3)s1	829681284	SVUQNCXIHPKILV-UHFFFAOYSA-N	310.400	3.089	10	20	DGCD	
CCc1oc(CN(C)c2ccc(OC)c(OC)c2)cc1C(=O)O	902534591	CNKAGSUDYGVXLU-UHFFFAOYSA-N	319.357	3.194	10	20	DGCD	
CC(C)c1nnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)o1	827457885	KKEQIDOMSXISRC-CYBMUJFWSA-N	316.405	3.203	10	20	DGCD	
O=C([C@@H]1CC1(F)F)N(Cc1ccco1)Cc1ccccc1O	825904626	DBWAPRXEWXEFMX-ZDUSSCGKSA-N	307.296	3.169	10	20	DGCD	
Cn1ccnc1[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1	834503245	XBJVMMGICJKZOV-VQIMIIECSA-N	319.408	3.492	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(CCCN[C@H]2CCc3cccc(O)c32)C1	834514651	VNTAHDLHLWMFMZ-UXLLHSPISA-N	302.462	3.337	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCCSC1	839922667	XWAQRHMYFGTLMM-ZBFHGGJFSA-N	320.502	3.251	10	20	DGCD	
CC(C)(C)[C@H](CNCc1ccc2c(c1)CCCO2)CC(=O)O	900024978	CZBXJWILWDTSBT-HNNXBMFYSA-N	305.418	3.238	10	20	DGCD	
COc1ccc(N(Cc2cn3cccnc3n2)CC2CC2)cc1	831583265	TWOMBWAUAYLAQI-UHFFFAOYSA-N	308.385	3.155	10	20	DGCD	
CO[C@H](CNCc1ccc(N2CCCCC2)cc1)C(F)(F)F	733329359	RGNWIYKHBKCEKH-OAHLLOKOSA-N	316.367	3.344	10	20	DGCD	
C[C@H](NCCCOC[C@@H]1CCOC1)c1ccc(Cl)cc1O	841756416	XSYCRAPKZVDKLH-STQMWFEESA-N	313.825	3.139	10	20	DGCD	
CCOc1cccc(CN2C[C@H](C)OC3(CCCC3)C2)c1O	843435173	QRTKNBHOPSKPOC-AWEZNQCLSA-N	305.418	3.324	10	20	DGCD	
COc1cccc([C@@H]2C[C@H]2CNCc2cc(F)ccc2O)c1	840973599	QYVRTYRFANQXLV-GUYCJALGSA-N	301.361	3.433	10	20	DGCD	
CC[C@@H](CCC(=O)O)NCc1ccc(N2CCCCC2)cc1	841812548	XVNDEHURTWNMKS-INIZCTEOSA-N	304.434	3.410	10	20	DGCD	
C[C@H](NCCOc1ncccc1F)c1ccc(Cl)cc1O	841751126	KZGZWINVERSIKQ-JTQLQIEISA-N	310.756	3.309	10	20	DGCD	
CC(C)c1noc(-c2csc(Cc3ccc(N)cc3)n2)n1	843170841	KFVXDEWXACRKMQ-UHFFFAOYSA-N	300.387	3.490	10	20	DGCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC12CCC2	759715048	ZUDLWZMQDATZDY-INIZCTEOSA-N	316.470	3.046	10	20	DGCD	
COc1nc(C)cc(C)c1CN[C@H](C)c1cc(F)ccc1O	756533660	GDJPSQLEHIDKOA-GFCCVEGCSA-N	304.365	3.403	10	20	DGCD	
Cc1cc(C)cc([C@H](NCc2ccc(N(C)C)cc2)C(=O)O)c1	756389651	QUYVJFJFNLGNMC-SFHVURJKSA-N	312.413	3.285	10	20	DGCD	
C[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)c1cc2c(cc1O)CCCC2	756646223	JQSQWIQDCZLBMY-BIENJYKASA-N	314.473	3.404	10	20	DGCD	
C[C@@H](N[C@H](C)c1cscn1)c1ccc(N2CCOCC2)cc1	768099070	WBHJMZQVYZHAHM-ZIAGYGMSSA-N	317.458	3.392	10	20	DGCD	
O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(O)cs1	869584239	ALVNWJDJJYLLPA-OCCSQVGLSA-N	323.801	3.367	10	20	DGCD	
Cc1ccc([N+](=O)[O-])c(NCc2c(O)ccc3c2CCCC3)n1	765508740	JYYDUCFYVYBLEI-UHFFFAOYSA-N	313.357	3.495	10	20	DGCD	
O=C(C=C1CCCC1)NCc1cccc(Br)c1O	765730404	ATDSETAHECIZEV-UHFFFAOYSA-N	310.191	3.271	10	20	DGCD	
CCC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C	763307048	XQPYBHMNSOXIBN-SFHVURJKSA-N	318.461	3.416	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3C[C@H](OC)C3(C)C)CC2)cc1	766526918	FLGCZBVSIWQFRQ-ROUUACIJSA-N	318.461	3.067	10	20	DGCD	
CCc1cc(C)nc(NCc2cccc(Br)c2O)n1	764935610	ZWMXCZLQDHTHMX-UHFFFAOYSA-N	322.206	3.428	10	20	DGCD	
COC1(C)CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	767176951	NETNEURWXHGVGQ-UHFFFAOYSA-N	316.376	3.094	10	20	DGCD	
C[C@@H](CC(=O)OC(C)(C)C)NCc1cc(Cl)c(F)cc1O	1117721525	SBQNRJGJHKYMTP-VIFPVBQESA-N	317.788	3.395	10	20	DGCD	
CCc1nc(NC(=O)CN[C@H](C)c2ccccc2O)sc1C	879648336	KJLPOEQRMUNFJV-SNVBAGLBSA-N	319.430	3.009	10	20	DGCD	
Cc1cc(Br)cc(CNCc2conc2C)c1O	877564096	YIJZEMZXIQWWMM-UHFFFAOYSA-N	311.179	3.049	10	20	DGCD	
COc1cccc2c1O[C@@H](c1cc(Cl)cc(F)c1O)NC2=O	877842658	KAXCKMOMAUQHGQ-HNNXBMFYSA-N	323.707	3.014	10	20	DGCD	
CC[C@@H](NC[C@H](CO)Cc1ccc(F)cc1)c1ccccc1O	775488051	GJYJDLJYWWVAMK-CRAIPNDOSA-N	317.404	3.423	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2cc(Cl)cc(F)c2O)C[C@@H]1C	775716685	ZTODSCGMCCKIFV-FZMZJTMJSA-N	314.832	3.489	10	20	DGCD	
Cc1c(NCc2cc(F)cc(F)c2O)cnn1C1CCOCC1	883131522	GHHFNRPRLVMBGG-UHFFFAOYSA-N	323.343	3.139	10	20	DGCD	
C[C@H](NCc1cc2c(nc1O)CCCC2)c1c(O)cccc1F	886650532	YMWQVBUZASCYHZ-NSHDSACASA-N	316.376	3.362	10	20	DGCD	
COc1ccc(CN[C@H](C)c2c(O)cccc2F)cc1OC	886489707	PABUDAQEKBVHLX-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
COc1cc(CN2Cc3ccccc3OC[C@H]2C)c(O)cc1C	782291372	VDOOMKANCOSYJI-CQSZACIVSA-N	313.397	3.492	10	20	DGCD	
O=C(/C=C\c1ccc[nH]1)NCc1ccc(N2CCCCC2)cc1	783586547	WTJYTUQFMXWREH-FLIBITNWSA-N	309.413	3.335	10	20	DGCD	
COc1ccc(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)c(O)c1	794391309	VXTGUWVCGLPESD-HDJSIYSDSA-N	305.418	3.479	10	20	DGCD	
COc1ccc(CNc2ccnc(Cc3ccccc3)n2)c(O)c1	795290319	RPIRCPVZHSFHKE-UHFFFAOYSA-N	321.380	3.394	10	20	DGCD	
Cc1ccc(O)c(CN2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1	793246508	JXUDCWDMLTUINE-BGYRXZFFSA-N	322.452	3.264	10	20	DGCD	
Oc1cccc(Cl)c1CNc1cn(Cc2ccccc2)nn1	795805669	KDSXOSWJRSYXIU-UHFFFAOYSA-N	314.776	3.298	10	20	DGCD	
C[C@H](CC1CCCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1	1320880304	YUHWMMPMWXIIPC-GFCCVEGCSA-N	320.385	3.430	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1	1338730530	BKSYPNTUUWPEIM-IEBWSBKVSA-N	323.440	3.479	10	20	DGCD	
CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(O)ccc1O	1338764394	FTSQUOFIBDYITH-HNNXBMFYSA-N	318.760	3.338	10	20	DGCD	
CN(C[C@H]1CC=CCC1)c1nnc(-c2sccc2O)n1C	1339459703	ZIDPKKGPXQZOPF-NSHDSACASA-N	304.419	3.042	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1	1358148546	QNMMVVOPAUPCFD-UKRRQHHQSA-N	304.434	3.135	10	20	DGCD	
CCC[C@@](C)(NCc1cc(OC)cc(C(C)(C)C)c1O)C(=O)O	1595559234	FXCNSOHBLFAXPO-GOSISDBHSA-N	323.433	3.431	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1CCOCC1	151356029	YMAHCHQTYIMWDD-AWEZNQCLSA-N	320.433	3.129	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(C)c1O	154199232	CEMVRIXUYPPMOQ-UHFFFAOYSA-N	312.413	3.429	10	20	DGCD	
Cc1nn(C)cc1CN(Cc1ccco1)Cc1ccccc1O	156411208	XHJCSPHJTRHEJE-UHFFFAOYSA-N	311.385	3.230	10	20	DGCD	
Cc1nc(NCCc2ccc(O)c(O)c2)ccc1Br	811811427	TVLGWDYJRLYJGL-UHFFFAOYSA-N	323.190	3.218	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@]2(C)CCCS2)c1O	228676042	MSCDJJXGLVTLIZ-CQSZACIVSA-N	301.839	3.430	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1	8171174	HLAUUQZYCDBLEU-UHFFFAOYSA-N	300.427	3.233	10	20	DGCD	
CN1CCCc2cc(CNCc3ccc([N+](=O)[O-])cc3)ccc21	57752407	ZUODKCYIPVCZLM-UHFFFAOYSA-N	311.385	3.267	10	20	DGCD	
CCCOc1ccc(CNCc2ccc(OC)c(O)c2)c(O)c1	171134419	HLEIPPJXZYSDEF-UHFFFAOYSA-N	317.385	3.185	10	20	DGCD	
COc1ccc(N(C)CCc2ccc([N+](=O)[O-])cc2)cc1OC	63617385	INGMGTFQGRBERB-UHFFFAOYSA-N	316.357	3.291	10	20	DGCD	
C[C@@H](NCc1cc(F)ccc1O)[C@@H](c1ccccc1)N(C)C	186457389	WESWTOPVHCWSRG-ACJLOTCBSA-N	302.393	3.312	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nc(C(C)C)no2)c1	182432026	LEOVLLKSAJRRHR-MNOVXSKESA-N	305.378	3.319	10	20	DGCD	
CCc1ccsc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183467459	GROHDAGDOIPWDC-JTQLQIEISA-N	305.399	3.083	10	20	DGCD	
CCOc1cccc(CN2CCC([C@@H]3CCCO3)CC2)c1O	188275275	LJDRQNRGHYDFOF-INIZCTEOSA-N	305.418	3.182	10	20	DGCD	
CCOc1cc2c(cc1NCc1cc(F)ccc1O)OCCO2	189776645	BGGVFXDKELQCFS-UHFFFAOYSA-N	319.332	3.313	10	20	DGCD	
CCN(C)c1ccc(CN(C)c2ccc(OC)c(F)c2)cn1	191469690	XUGSOAUMCMMRDV-UHFFFAOYSA-N	303.381	3.322	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	245760942	VPJXWCYSMQCEDD-FPPYJVPBSA-N	313.397	3.052	10	20	DGCD	
CCOc1cccc(CN[C@H](C)[C@@H](O)c2cccc(F)c2)c1O	267203723	PEKBVCDNJZYAGG-SJKOYZFVSA-N	319.376	3.142	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	269896294	DNGCHOZMEINEGH-OTWHNJEPSA-N	312.457	3.334	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](O)c2ccc(C)o2)cc1	265967142	KBFKYQSIEFDKGH-KRWDZBQOSA-N	302.418	3.257	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccc(CO)o2)C2CC2)cc1	271052634	QXVUMTAIVLRWMR-UHFFFAOYSA-N	300.402	3.003	10	20	DGCD	
CN1CC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1	272589090	HQLLOZACRFTKTM-YGRLFVJLSA-N	315.244	3.225	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2cccc(C(=O)N(C)C)c2)c1	273422092	SKKKJDGVXDATCB-AWEZNQCLSA-N	312.413	3.253	10	20	DGCD	
CCCN(Cc1cc(OC)ccc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	271881339	VCMIBZOWTZOLPB-KBAYOESNSA-N	319.445	3.426	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1C	289699145	ONQIFPFUUHOWGF-KBPBESRZSA-N	317.351	3.002	10	20	DGCD	
CC[C@H](C)[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)OC	296660269	ZRWRJBDZXFBWCL-BXWFABGCSA-N	320.477	3.235	10	20	DGCD	
C[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1O	805747643	DPHJJQONTOSEJB-WFASDCNBSA-N	305.805	3.300	10	20	DGCD	
CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	295656336	DNPTUIBVKVHPHL-CFVMTHIKSA-N	305.418	3.361	10	20	DGCD	
CC[C@H](c1ccncc1)N(C)Cc1cc(OC)c(OC)cc1O	290375722	HUUZFJUPHUVNAW-OAHLLOKOSA-N	316.401	3.388	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@@H](O)CC(C)(C)C2)c1O	295309683	VYGAXGAAPZCXRL-CYBMUJFWSA-N	313.825	3.037	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCOC[C@H](C2CCC2)C1	814178490	RUMYWJKGADEFSU-GFCCVEGCSA-N	313.800	3.433	10	20	DGCD	
CCS(=O)(=O)CCNc1ccc(Nc2ccccc2)cc1	819395460	MDHAGVCKFGEYBW-UHFFFAOYSA-N	304.415	3.277	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O	810213166	NQUUNVPOIGNUQB-GXFFZTMASA-N	303.324	3.488	10	20	DGCD	
CCCCN(C)C[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1O	810245059	PAXWTPNVXVMLJS-NEPJUHHUSA-N	300.393	3.441	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C)C[C@@H]2C(=O)O)cc1F	902013372	ALXPXYXNNYXQRS-CXAGYDPISA-N	322.424	3.357	10	20	DGCD	
C/C(=C\C(=O)N1CC2(CCC2)c2c(F)cccc21)c1cnccn1	825589006	RMUJDSFSMFDWPS-JLHYYAGUSA-N	323.371	3.488	10	20	DGCD	
COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	824701719	ABQBGYKHNXUXOG-MSOLQXFVSA-N	316.445	3.108	10	20	DGCD	
Fc1cc(CNCc2ccsc2)cc(F)c1N1CCOCC1	839146262	AXMMXXKUPDRECQ-UHFFFAOYSA-N	324.396	3.153	10	20	DGCD	
Cc1cc(CN2CCCN(C)CC2)ccc1N1CCCCC1	839465643	ZCTBKAGKNVKNOJ-UHFFFAOYSA-N	301.478	3.123	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNc1ccc2c(c1)CNCCO2	841082134	IEKUOWGGKAKFDB-UHFFFAOYSA-N	322.767	3.279	10	20	DGCD	
CCN(C)c1ccc(CN2Cc3ccccc3[C@@H](C(=O)O)C2)cc1	846271677	XBQOCXJGUGCAQM-IBGZPJMESA-N	324.424	3.327	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cncn2CC)cc1F	841862677	CZEBSSQHOJTRQX-UHFFFAOYSA-N	304.413	3.178	10	20	DGCD	
CC(C)c1cnc(CN2CCOc3cc(N(C)C)ccc32)o1	746492861	NMYDMDKJWVSXOX-UHFFFAOYSA-N	301.390	3.263	10	20	DGCD	
C[C@H](N[C@H]1CCCN2CCCC[C@H]12)c1ccc(N(C)C)cc1	848568698	OQBMUPNFLMXWMB-ZYSHUDEJSA-N	301.478	3.420	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCCN2CCCC[C@H]12	848927647	JOKFUSKURGAJAO-RTBURBONSA-N	301.478	3.168	10	20	DGCD	
CC[C@H](COC(=O)c1sc2nc(C)cc(C)c2c1N)OC	842061263	ZWLSQYDRROPSLG-SNVBAGLBSA-N	308.403	3.077	10	20	DGCD	
C[C@@H]1C[C@H](NCCCOC[C@H]2CCOC2)c2c(O)ccc(F)c21	756607145	ZJDNFGTUBQUOTL-NFAWXSAZSA-N	323.408	3.112	10	20	DGCD	
CCOCc1cc(CN[C@@H]2C[C@H](OC)C2(C)C)ccc1OC	753374174	QGJZEXFVNDQAIJ-SJORKVTESA-N	307.434	3.135	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](OC)C1(C)C	753557523	OQUBLEGSWQNDLC-HOTGVXAUSA-N	320.433	3.127	10	20	DGCD	
C[C@H]1C[C@@H](N[C@@H](CO)c2ccccc2)c2c(O)ccc(F)c21	756653823	HDTJTWQPBFDWFW-GLQYFDAESA-N	301.361	3.403	10	20	DGCD	
CN(C)c1ccc(CN2CCCN(C(C)(C)C)CC2)cc1F	769189936	YHTDTQMQCXCLFZ-UHFFFAOYSA-N	307.457	3.198	10	20	DGCD	
CCn1nc(C)c(CN(C)c2ccc(OC)c(OC)c2)c1C	761220492	FATRJSYONGVJPU-UHFFFAOYSA-N	303.406	3.173	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccccc1O)c1ccc(N(C)C)cc1	773621556	ZKNZVLRSNBPDCS-CYBMUJFWSA-N	313.401	3.019	10	20	DGCD	
CCOc1ccc(CNCc2c(C)cccc2O)cc1OC	876928340	AOPNEHCENTYKTN-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
CC1(C)[C@H](NCc2cc(Cl)cc(F)c2O)[C@H]2CCCO[C@H]21	776223537	JJGPEYWKCSFTOZ-KCPJHIHWSA-N	313.800	3.478	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCOc2c(F)cccc21	883099205	MQKUBTICYUZEFS-CQSZACIVSA-N	309.287	3.423	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@@H](C)c2c(O)cccc2F)s1	886629539	HRWDXTVXBZMKQD-IUCAKERBSA-N	324.377	3.186	10	20	DGCD	
COC(=O)c1cc(NCc2cccc(OC)c2O)ccc1C	779156315	CZSNQEZLMBAUOP-UHFFFAOYSA-N	301.342	3.108	10	20	DGCD	
Cc1cc(NS(=O)(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1O	882709705	UDBUCBDEHHWIKZ-GDBMZVCRSA-N	321.373	3.138	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2cncs2)cc1	782226631	JRWBTFRZJUAZAH-UHFFFAOYSA-N	317.458	3.190	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCOc2ccc(F)cc21	882991304	UTDCANIVEIVJEQ-CQSZACIVSA-N	309.287	3.423	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCn2nc(C3CC3)cc2C1	896939998	SFWPHIRMOAGSPI-UHFFFAOYSA-N	303.793	3.135	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21	784106248	LZNSYKWSFQTDIM-ARJAWSKDSA-N	323.352	3.209	10	20	DGCD	
Cc1nc(CNCc2ccc3c(c2)CCCN3C)sc1C	892734376	YIMQQROOELKNPE-UHFFFAOYSA-N	301.459	3.432	10	20	DGCD	
CCN(CC)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1	1139671870	PUXSERLNYBXVIC-UHFFFAOYSA-N	303.494	3.367	10	20	DGCD	
CN1CCCc2cc(CNc3ncnc4scnc34)ccc21	1328491771	MQRQVIIVDXZRAI-UHFFFAOYSA-N	311.414	3.081	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)[C@@H](C)CC)CC2)cc1	1323606068	VZVCXHMTRSFBHK-JKSUJKDBSA-N	318.461	3.416	10	20	DGCD	
CC(C)=CCCNCc1ccc(N2CCN(C)CC2)c(F)c1	1321027139	CIRUIJOVXMDCPS-UHFFFAOYSA-N	305.441	3.023	10	20	DGCD	
CN(C(=O)NCc1ccc(N)cc1)[C@@H]1CCCc2ccccc21	1335730143	JWOWDTWJUJXICC-GOSISDBHSA-N	309.413	3.488	10	20	DGCD	
COc1ccc(C)cc1[C@H](C)NC(=O)NCc1ccc(N)cc1	1336975308	MDWGHJMEGRYWHK-ZDUSSCGKSA-N	313.401	3.146	10	20	DGCD	
CCc1nc(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)co1	1338243957	QAMSIWZLAXSFDV-UHFFFAOYSA-N	315.417	3.355	10	20	DGCD	
O=C(O)CCc1ccc(NCc2cc(F)cc(F)c2O)cc1	1602040801	CDJXSWLIJHUTSF-UHFFFAOYSA-N	307.296	3.300	10	20	DGCD	
CCC1CCC(NCc2cc(F)cc(F)c2O)(C(=O)O)CC1	1776736927	UJRISSFBXSJSME-UHFFFAOYSA-N	313.344	3.184	10	20	DGCD	
CCN1CCCc2cc(CNC[C@@H]3CCC[C@@H]3C(=O)O)ccc21	1776875443	ANNUBYJWNANMDZ-IRXDYDNUSA-N	316.445	3.050	10	20	DGCD	
CC(C)[C@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C	5263893	NHPDBHIBNLPRFA-ZDUSSCGKSA-N	317.458	3.340	10	20	DGCD	
CN(Cc1cccc(Br)c1O)C[C@@H]1CCCOC1	156029896	KYGAUPPDKCTSQZ-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
Cc1ccc(CNCc2cccc(Br)c2O)nc1C	313842031	QJUPCRAVPMINKO-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
Cc1cc(C(=O)O[C@H]2CCSC2)c(C)n1-c1ccccn1	103827866	HPFHSHHGTDOIRI-ZDUSSCGKSA-N	302.399	3.151	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@@H](C)C2)c1	114591426	DWILBUURJXOVIT-CHWSQXEVSA-N	306.406	3.026	10	20	DGCD	
Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1F	173194859	DNKHODFAHJWRAM-UHFFFAOYSA-N	314.360	3.239	10	20	DGCD	
CSCCCN1C(=O)/C(=C/c2cccnc2C)SC1=S	170903545	VWKGNWJKODFBDA-XFXZXTDPSA-N	324.496	3.344	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COC(C)(C)C	181374512	WDHDAMSAQDAKQO-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
Cc1cc(O)c(CNc2nnc(C(F)(F)F)s2)cc1C	185872054	VNPDNKNDPBKUES-UHFFFAOYSA-N	303.309	3.491	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	182516350	YXPOYPCNDYMSDO-RRFJBIMHSA-N	303.402	3.321	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(OC(C)=O)cc2)c(OC)c1	132190279	DULIQQBZOJTYMD-UHFFFAOYSA-N	315.369	3.266	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccnc1	43788739	CXHQPFYAGHWXCP-AWEZNQCLSA-N	312.417	3.050	10	20	DGCD	
CC[C@@H](NCCCNC(=O)C1CCC1)c1ccc(N(C)C)cc1	90184830	QAZDXMXXYKXCGN-GOSISDBHSA-N	317.477	3.100	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H](N3CCCC3)CC2)c1	93564088	XJSUAPRBOBQQAX-KRWDZBQOSA-N	318.461	3.241	10	20	DGCD	
Oc1ccccc1CN(Cc1cnc2cnccn12)C1CCCC1	93319233	MTARERWBIAGOQP-UHFFFAOYSA-N	322.412	3.380	10	20	DGCD	
CC[C@@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1O	527997626	JBWYABWKRBQIJK-ZBFHGGJFSA-N	314.360	3.135	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c(C)n1-c1ccccn1	247629072	UPXQGECLKKOKPO-CJBAZIHXSA-N	321.424	3.263	10	20	DGCD	
CCCOc1ccc(CN2CC[C@H]3[C@@H](CCCN3C)C2)c(O)c1	252799282	AKBBALXAMRFFSH-YJBOKZPZSA-N	318.461	3.097	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CCC3)ccc21	264536734	PHHSPSSHQZGMIT-UHFFFAOYSA-N	300.402	3.187	10	20	DGCD	
OC[C@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	368013518	BJDXSQQHAAUPID-IBGZPJMESA-N	322.452	3.064	10	20	DGCD	
CCc1nc([C@@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)n[nH]1	273542174	YPKKJHVBSZNZBR-NWDGAFQWSA-N	314.433	3.363	10	20	DGCD	
CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CCO1	272351383	QVFRFVLAENVMBQ-NVXWUHKLSA-N	320.433	3.175	10	20	DGCD	
OCC1(Cc2ccccc2)CCN(Cc2ccccc2O)CC1	278745570	RQLYXLWETLXWRK-UHFFFAOYSA-N	311.425	3.209	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CSCCC(F)(F)F)cc1	279989617	QXPWPISBYPOYKK-UHFFFAOYSA-N	320.380	3.054	10	20	DGCD	
Cc1nnc([C@H](C)NC(=O)c2cc(C)n(-c3ccccc3)c2C)[nH]1	286546073	ZTXOYEABUVSGQI-LBPRGKRZSA-N	323.400	3.012	10	20	DGCD	
CCOc1cccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O	290997447	APVCVKMNYHFJHF-WBVHZDCISA-N	305.418	3.180	10	20	DGCD	
C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1cc(Cl)ccc1O	290399548	SUDFHXRVUYSZDA-RMLVOYDJSA-N	319.788	3.191	10	20	DGCD	
Cc1cccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)c1O	290361475	GVMKJLGCYPYSMY-KRWDZBQOSA-N	302.393	3.232	10	20	DGCD	
CN(C)[C@H](CN[C@H]1CCc2cccc(O)c21)c1ccsc1	295912032	JFZFPAGGKSMWDZ-LSDHHAIUSA-N	302.443	3.334	10	20	DGCD	
CC[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1O	806130348	WDEVCWNFCRQYPH-CABCVRRESA-N	318.804	3.313	10	20	DGCD	
CSC[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1	292495645	UBCFDDAACILUNO-LBPRGKRZSA-N	311.422	3.309	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3nc(C)cnc3C)C2)cc1	819935494	MNRHVHUVICSJBT-HNNXBMFYSA-N	312.417	3.040	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC2CCc3ccccc3CC2)cc1	817940717	HJTCROYALJSPAM-OAQYLSRUSA-N	323.484	3.290	10	20	DGCD	
CCOc1ccc(CN2CCN(C)Cc3ccccc32)c(O)c1	816618462	YKEXIVBQHRKJFY-UHFFFAOYSA-N	312.413	3.243	10	20	DGCD	
Cc1cc(CN2CCC[C@H]2C2CCOCC2)ccc1N(C)C	815084315	AWWVDCIFJLRERB-IBGZPJMESA-N	302.462	3.452	10	20	DGCD	
C[C@H](NC[C@@H]1NCCc2ccccc21)c1ccc(F)cc1O	817975865	YZGWWVNJTBGFNT-SJCJKPOMSA-N	300.377	3.069	10	20	DGCD	
CSC1(CN[C@H](C)c2ccc(C)cc2O)CCN(C)CC1	810252145	KBHSDMWRGQLEHL-CQSZACIVSA-N	308.491	3.179	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](O)CNCc1cc(Cl)c(F)cc1O	827733815	OZWKTSNCRWWWPW-APPDUMDISA-N	323.795	3.439	10	20	DGCD	
CC(C)c1ncsc1C(=O)NCc1ccc(N(C)C)cc1	822226724	DVAUBJBVOACBCM-UHFFFAOYSA-N	303.431	3.263	10	20	DGCD	
C[C@@H]1CC[C@@](CNCc2cc(F)cc(F)c2O)(CC(=O)O)C1	903993492	RYFGPBDNEJZOLH-HWPZZCPQSA-N	313.344	3.041	10	20	DGCD	
C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1	903447834	CWYJLXUHWLVXBY-GUYCJALGSA-N	318.490	3.163	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1C[C@@H]1c1c(F)cccc1F	734942819	QFOPJQTYXSFJMS-SMDDNHRTSA-N	318.323	3.026	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCO[C@H](c2ccccc2Cl)C1	732287568	XFFVHNFEFDURRY-ZDUSSCGKSA-N	323.801	3.321	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(C)[nH]1	839914607	AILTVVCBKPUUFE-ZDUSSCGKSA-N	313.445	3.367	10	20	DGCD	
CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(N)cc1	841301269	HUUOJDKXGRQUQQ-INIZCTEOSA-N	311.385	3.477	10	20	DGCD	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccc(N)cc1	841299856	IYCLLCMDJORMSC-WFASDCNBSA-N	305.422	3.232	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CCN1	841064094	XWHDGOOFQMVIOA-DGCLKSJQSA-N	315.383	3.002	10	20	DGCD	
O=C(/C=C/c1cccnc1)NCc1ccc(N2CCCCC2)cc1	742476198	NEHOEBHITZFUPO-DHZHZOJOSA-N	321.424	3.402	10	20	DGCD	
O=C(CCc1cccnc1)NCc1ccc(N2CCCCC2)cc1	742475763	MXKWSIVXJJTRSH-UHFFFAOYSA-N	323.440	3.321	10	20	DGCD	
C[C@H](N[C@@H](CCO)c1ccccc1F)c1cc(F)ccc1O	842922353	BNFVLKKGPBWXOO-ZBEGNZNMSA-N	307.340	3.445	10	20	DGCD	
Cc1cc(O)c(CNCC(=O)Nc2ccc(Cl)cc2)cc1C	742367739	HKSCENDIQQNUNB-UHFFFAOYSA-N	318.804	3.391	10	20	DGCD	
CC[C@H](NCC(C)(C)C1(O)CCOCC1)c1ccc(C)cc1O	841761531	GGHAYOTWDZXQMR-INIZCTEOSA-N	321.461	3.309	10	20	DGCD	
C[C@@H](NCCc1cn2c(n1)SCC2)c1ccc(Cl)cc1O	841750791	BINRGFDGAZVIMJ-SNVBAGLBSA-N	323.849	3.241	10	20	DGCD	
Cc1cccc(-n2ncc(C(=O)Nc3ccc(N)cc3)c2C)c1	746478684	OGDWJBXVAOMMQG-UHFFFAOYSA-N	306.369	3.324	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCCC1(F)F	846477989	XAESWZPUGPDAJI-NSHDSACASA-N	303.736	3.487	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](c2cnn(C)c2)C(C)C)c1O	927069698	ZVUHUHAYGOCKIO-BLLLJJGKSA-N	303.406	3.182	10	20	DGCD	
CSC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCCCC1	924238559	MICVQGQXKGZHRX-VURMDHGXSA-N	321.442	3.293	10	20	DGCD	
COC/C(C)=C/C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	844322951	RIOLMBORYRJSJP-RVDMUPIBSA-N	304.434	3.082	10	20	DGCD	
COc1cccc(CNCc2cnccc2C(F)(F)F)c1O	853094911	CDCALRJKLWIJOY-UHFFFAOYSA-N	312.291	3.104	10	20	DGCD	
CCc1noc(C)c1CNCc1cc(F)c(N(C)C)cc1F	858168631	AQEOLHOAHVDZHN-UHFFFAOYSA-N	309.360	3.179	10	20	DGCD	
COc1cc(Br)cc(CN[C@@]23CCC[C@@H]2C3)c1O	923022934	BPRBNSYMNXLUSQ-QMTHXVAHSA-N	312.207	3.196	10	20	DGCD	
CCSC1(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1	852629856	YBBUOTYBOCOICE-NSHDSACASA-N	324.446	3.047	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)[C@@H](C)C1	764083585	CZHFACQQPKKUMS-KBPBESRZSA-N	303.402	3.136	10	20	DGCD	
Cc1ccccc1[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	935310113	IGOGGGXXUCVQSP-UONOGXRCSA-N	313.397	3.257	10	20	DGCD	
Cn1ccc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1	765499328	HNYYQSONVGJMFN-UHFFFAOYSA-N	311.307	3.272	10	20	DGCD	
CC[C@@H](NCCCCn1ccnc1)c1ccc(N(C)C)cc1	765258382	LAQUTEBGJCCTIF-GOSISDBHSA-N	300.450	3.470	10	20	DGCD	
C[C@@H](NS(=O)(=O)C1CCCCC1)c1ccc(N(C)C)cc1	773085997	BAQMKKYJSQZFNK-CYBMUJFWSA-N	310.463	3.066	10	20	DGCD	
CCC(CC)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774482086	FOPLVHYOOLXXOX-ZIAGYGMSSA-N	305.466	3.097	10	20	DGCD	
Oc1ccc(F)cc1CN1CCCO[C@H](c2ccccc2)C1	779010375	UMENILRBOMCGAG-SFHVURJKSA-N	301.361	3.495	10	20	DGCD	
C[C@H](Cc1ccco1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773193794	YJGXXVQUWNEWQQ-ZIAGYGMSSA-N	315.417	3.337	10	20	DGCD	
CN1CCN(c2ccc(-c3nc4c(F)cccc4n3C)cc2)CC1	771515103	XMKKPTXIEXXTLZ-UHFFFAOYSA-N	324.403	3.131	10	20	DGCD	
CC[C@@H](NCc1ccc(C)cc1O)c1nnc2n1CCCCC2	876995085	ABXBAHPMTMGOFH-OAHLLOKOSA-N	314.433	3.259	10	20	DGCD	
CNC(=O)c1cccc(NCc2cc(Cl)cc(F)c2O)c1	775750723	SYOAMJBNECVAMU-UHFFFAOYSA-N	308.740	3.156	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCc2c(C)cccc2C)c1O	775037151	LQISIICHRPUHHX-UHFFFAOYSA-N	316.357	3.216	10	20	DGCD	
Cn1c(CNCc2cc(F)ccc2O)nc2cccc(Cl)c21	775983294	LNPALIJCTYVTGW-UHFFFAOYSA-N	319.767	3.361	10	20	DGCD	
CC[C@@H](N)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1	881379484	SDFYVCGUSAWJCG-MRXNPFEDSA-N	313.449	3.035	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cc2c(F)cccc2s1	778919205	WNANTYPIAVUHCL-UHFFFAOYSA-N	317.341	3.382	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@@H](c2ccncc2)C1)c1c(O)cccc1F	886620134	CJMSTNKOUMCJHN-RVSPLBMKSA-N	316.376	3.497	10	20	DGCD	
CO[C@@H]1Cc2ccc(NCc3cc(F)cc(F)c3O)cc2C1	883086618	AJVZYFVASLJTSY-OAHLLOKOSA-N	305.324	3.396	10	20	DGCD	
CC(C)[C@@H](CN[C@H](C)c1cc(F)cc(F)c1O)c1ccnn1C	788258780	IWXVWLPOVCYDNC-BXUZGUMPSA-N	323.387	3.494	10	20	DGCD	
O=C1CN(Cc2cc(-c3ccccc3)ccc2O)CN1CC1CC1	789777104	VRKGSQXONASNQU-UHFFFAOYSA-N	322.408	3.071	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCO[C@H](c2ccccc2F)C1	893995311	LATCSNRWJSUFMW-INIZCTEOSA-N	323.314	3.383	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2COCc3ccccc32)cc1F	788585459	VLGDNMJZNJUTPR-KRWDZBQOSA-N	300.377	3.253	10	20	DGCD	
C[C@H]1CC[C@H]1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	783220458	DZRQDYINIIXOTA-ZOMKSWQUSA-N	306.425	3.327	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](C)c2c(F)cccc2F)c(O)c1	794376035	AVMWHMWQYSSQQU-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
COc1ccc(CNCc2cnc(C(C)(C)C)s2)c(O)c1	793387472	FESYJLUMSGCBRQ-UHFFFAOYSA-N	306.431	3.445	10	20	DGCD	
COCCN(Cc1cc(OC)c(C)cc1O)[C@H]1CC[C@H](C)C1	790477700	HOOLZWRWPUVPHM-BBRMVZONSA-N	307.434	3.346	10	20	DGCD	
COc1ccc(CNCCCNC(=O)CCC2CCC2)cc1C	1156313184	NOEOUURYYKJQDY-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2C3)cc1F	1329776602	BKKOGRQSVLZYEA-YEWDVWPNSA-N	304.409	3.334	10	20	DGCD	
COc1cc(C)cc(CNCCc2cccc(F)c2F)c1O	1331992491	AOXJUULZRQJIRW-UHFFFAOYSA-N	307.340	3.320	10	20	DGCD	
Nc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1	1336284502	AEOJCIKOPCDHKM-MOPGFXCFSA-N	314.404	3.496	10	20	DGCD	
O=C(O)[C@@H]1CCCCCN1Cc1cc(Cl)cc(F)c1O	1610741884	IWYAGRPEWWBUBV-LBPRGKRZSA-N	301.745	3.014	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCCC2(C)C)cc1	1578424493	JBPCAGVEXIRNSV-SJORKVTESA-N	317.477	3.085	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1	158971867	SFWCKDUCZATBSR-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1	164305407	NAYJBINQCZVUOK-HNNXBMFYSA-N	320.433	3.108	10	20	DGCD	
Cc1nn(C)c(CN[C@H](C)c2ccccc2O)c1Br	877755619	ILBOPTVZHGNVRJ-SECBINFHSA-N	324.222	3.047	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(F)cc1	115280402	RJUVQTXBHQUEOK-UHFFFAOYSA-N	300.377	3.059	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1Cc2ccccc21	115807405	DMRIWLFXIUZBKJ-KRWDZBQOSA-N	323.440	3.200	10	20	DGCD	
CN(Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)O	183074377	LPUFZYGOCDCPSL-UHFFFAOYSA-N	315.413	3.174	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc([S@](C)=O)cc2)c(O)c1	186095017	QYQJSNFNMIVIEY-ASSNKEHSSA-N	303.427	3.289	10	20	DGCD	
CC(C)N1CCC[C@H](CN[C@@H](C)c2ccc(F)c(F)c2O)C1	187701360	UPPBXTYMJZSPLP-QWHCGFSZSA-N	312.404	3.441	10	20	DGCD	
C[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	125968045	VLWCMAZGMGALSH-DOTOQJQBSA-N	313.445	3.441	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@H](C)c2ccc(F)cc2O)cc1	185027475	OQCCFVITZAVAPO-GFCCVEGCSA-N	316.376	3.132	10	20	DGCD	
O=C(CC[C@@H]1CCCCO1)NCc1c(O)ccc2c1CCCC2	75159598	PPSVPFRMYILJRH-HNNXBMFYSA-N	317.429	3.237	10	20	DGCD	
CN(Cc1cn(C)nc1-c1ccccc1)c1ccc2c(c1)OCO2	180760522	HSPKMMVEGABXSU-UHFFFAOYSA-N	321.380	3.452	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc(-c2ccoc2)c1	182538143	SBZQEVRFPDJDPA-UHFFFAOYSA-N	309.321	3.288	10	20	DGCD	
Cc1c(CNC(=O)N(C)CC(F)(F)F)n(C)c2ccccc12	410412897	GAGMKLIDUORXFL-UHFFFAOYSA-N	313.323	3.190	10	20	DGCD	
COc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(F)c(F)c1O	191212927	PYANCCHYUOZAHV-HZMBPMFUSA-N	323.339	3.063	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(Cl)c1	41374098	PNCGZYFFKYVQDZ-UHFFFAOYSA-N	316.788	3.429	10	20	DGCD	
CCn1nncc1CN[C@@H](C)c1cc(Cl)c(Cl)cc1O	527917256	SLADISDCXIKBIB-QMMMGPOBSA-N	315.204	3.161	10	20	DGCD	
Cc1ccc([C@H](C)NCCCOC[C@H]2CCCO2)c(O)c1C	273411169	PRAAEHSBJFXYMW-JKSUJKDBSA-N	307.434	3.245	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C)cc2O)[C@]12CCCO2	274146196	DSXYHJBVZXATLG-BVPBIZIASA-N	305.418	3.078	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1OC	271840654	QPAOJLMUSFHOPL-CXAGYDPISA-N	323.433	3.093	10	20	DGCD	
Cc1ccc([C@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c(O)c1	273543008	YUGUICXUJGYOJB-LBPRGKRZSA-N	311.385	3.064	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1	277351304	PJWWBJBVNHQHHA-ONIAQPFYSA-N	316.445	3.122	10	20	DGCD	
Cc1n[nH]cc1C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	375271835	HKFJUGYGFAVVOS-UHFFFAOYSA-N	316.424	3.303	10	20	DGCD	
CCCCN(CCn1c(C)csc1=O)Cc1ccccc1O	282396413	HJQOOPJMEUZFQU-UHFFFAOYSA-N	320.458	3.226	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1	289641121	SMSMROOPPZMUEQ-ROUUACIJSA-N	300.446	3.286	10	20	DGCD	
CCN(C)C(=O)c1cccc(NCc2c(O)cccc2OC)c1	808424226	UXWCNCKUTKFFHX-UHFFFAOYSA-N	314.385	3.105	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@H]2C2CC2)cc1	290784436	NJYIKLCFOHBHKM-MRXNPFEDSA-N	301.434	3.083	10	20	DGCD	
CC(C)NC(=O)OC[C@@H]1CCCCN1Cc1cc(F)ccc1O	809720427	GGWLIAPEULRGQV-HNNXBMFYSA-N	324.396	3.020	10	20	DGCD	
COc1cc(Cl)cc(CN(CC2CCC2)[C@@H](C)CO)c1O	809665502	VBXLBXRSYJEAHY-NSHDSACASA-N	313.825	3.037	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)C(C)(C)C)C2)cc1	819584476	KDSCSDVXAHDGFY-LSDHHAIUSA-N	318.461	3.320	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@H](C)c2cc(C)ccc2O)s1	818357294	YLMVHZQZPDLTQN-GHMZBOCLSA-N	320.414	3.356	10	20	DGCD	
Cn1c(=O)oc2ccc(NCc3cc(Cl)c(F)cc3O)cc21	816564055	SGFFFAJFKQOQPL-UHFFFAOYSA-N	322.723	3.242	10	20	DGCD	
CCOc1cccc(CN(CCOC)c2ccccc2)c1O	825035421	JLSHBSXBNKCWTR-UHFFFAOYSA-N	301.386	3.444	10	20	DGCD	
Cc1cccc2c1O[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C2	828860845	IPDFAPYIGPLDIL-KDOFPFPSSA-N	324.424	3.242	10	20	DGCD	
COc1ccc(C2CCN(C(=O)c3cc(O)cs3)CC2)cc1	829395407	UBYOTNIRDOHYKS-UHFFFAOYSA-N	317.410	3.482	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1c(F)cccc1Br	588615049	SNFNVGMTIBDNMH-XBXARRHUSA-N	318.192	3.077	10	20	DGCD	
CC(C)NC(=O)Nc1ccc(NC(=O)c2cc(O)cs2)cc1	732266393	AQCLNWLCQYVPEL-UHFFFAOYSA-N	319.386	3.236	10	20	DGCD	
CN(C[C@H]1CCCC2(CCC2)O1)c1ccc(OCC(=O)O)cc1	903905277	YRZMBASFWGSTFX-MRXNPFEDSA-N	319.401	3.078	10	20	DGCD	
COC1(COC(=O)c2sc3nc(C)cc(C)c3c2N)CCC1	837385127	SAIISNMSFBXJOZ-UHFFFAOYSA-N	320.414	3.221	10	20	DGCD	
CON1CCC(N(C)Cc2ccc(N3CCCCC3)cc2)CC1	835076356	OFKXKPUYAWTXKZ-UHFFFAOYSA-N	317.477	3.135	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)c1cc2c(s1)CCCCC2	910957188	LZGRPUKOXAYINI-UHFFFAOYSA-N	317.410	3.358	10	20	DGCD	
COc1cccc([C@@H](C)NCC2([C@H](C)CCO)CCC2)c1O	846157573	FMTCTYLQIZJUTG-ZIAGYGMSSA-N	307.434	3.240	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCCC23CCCCC3)cc1	841960810	XITSKMNEZXKXAH-UHFFFAOYSA-N	301.434	3.320	10	20	DGCD	
CN(C(=O)Nc1ccc(N)cc1)[C@H]1CCCN(c2ccccc2)C1	841299403	CEWOLECUMOHLPG-SFHVURJKSA-N	324.428	3.402	10	20	DGCD	
CC(C)Cn1nccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	843582064	YLBPCOXYTZCHNS-CQSZACIVSA-N	314.433	3.096	10	20	DGCD	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCCc1ccc(N)cc1	841954237	KLDOBEICPWBSTQ-CRAIPNDOSA-N	323.440	3.399	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C(C)C)on2)c1	743222368	ZFPXLSYDWARPPT-SNVBAGLBSA-N	319.361	3.395	10	20	DGCD	
CC[C@H](C)CC[C@@H](O)CC(=O)NCc1cc(Cl)ccc1O	846473516	MRACJDBYJYPNHH-SMDDNHRTSA-N	313.825	3.239	10	20	DGCD	
CC[C@@H](CNC(=O)c1cc(O)cs1)Oc1cccc(C)c1	752815255	DVJVOWVXWLUOFL-ZDUSSCGKSA-N	305.399	3.350	10	20	DGCD	
Cc1ccc(C(=O)N2CCCC2)cc1-n1c(C)cc(C=O)c1C	858096297	ZAYOXDGURVCMOJ-UHFFFAOYSA-N	310.397	3.451	10	20	DGCD	
C[C@@H]1C[C@@H](NCC[S@](=O)C(C)(C)C)c2c(O)ccc(F)c21	756588143	FLJJDNGVAYIDMZ-VPOQAHPWSA-N	313.438	3.216	10	20	DGCD	
OC1CCN(c2ccc(CNC3CC4(CCCC4)C3)cc2)CC1	926725873	WNNHYSQXAJJRCP-UHFFFAOYSA-N	314.473	3.460	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)[C@H](O)c1ccc(F)cc1	921747983	CASVHSIBFGGQNQ-YJYMSZOUSA-N	315.388	3.362	10	20	DGCD	
Cc1cccc(OCCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	756458422	WCNMLPJZDJNUJC-CYBMUJFWSA-N	316.357	3.338	10	20	DGCD	
Cc1cnc([C@H](C)CNC(=O)N[C@H](C)c2ccccc2O)s1	868498788	AEYVAGZEYIRIML-ZYHUDNBSSA-N	319.430	3.321	10	20	DGCD	
CCCC(=O)N1CCC[C@@H](CNCc2ccc(OC)c(C)c2)C1	1023805619	ULAAJLQPMVEKRD-KRWDZBQOSA-N	318.461	3.132	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1	862760480	RSTBTYUVQUSGDF-STQMWFEESA-N	317.335	3.399	10	20	DGCD	
CC[C@H](N[C@H]1CCN2CCCC[C@@H]12)c1ccc(N(C)C)cc1	764967360	UFAAJAPZCXMRRW-FHWLQOOXSA-N	301.478	3.420	10	20	DGCD	
Cc1cc(N(C)C)ccc1[C@@H]1NC(C)(C)C(=O)N1c1ccccc1	877857429	RAKXZIYVUKIWRG-GOSISDBHSA-N	323.440	3.475	10	20	DGCD	
CSC1CCN(Cc2cc(Br)ccc2O)CC1	877663325	PCGHTMNCNAWDCV-UHFFFAOYSA-N	316.264	3.482	10	20	DGCD	
Cc1cccc(CN2CC[C@@H](N(C)Cc3ccccc3)C2)c1O	775724561	LUUNEQLZYQCSNW-LJQANCHMSA-N	310.441	3.407	10	20	DGCD	
CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1O	775499344	BWKLQXIHKAWVCX-GXTWGEPZSA-N	320.824	3.001	10	20	DGCD	
CO[C@H]1CCC[C@@H]1CNCc1cc(Br)ccc1O	774833921	WNAKWHATCWDBOS-YGRLFVJLSA-N	314.223	3.059	10	20	DGCD	
CCOC(=O)C[C@@](C)(NCc1ccc(OCC)cc1O)C(C)C	775373949	FNIZOZGLLOJZJD-GOSISDBHSA-N	323.433	3.248	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(N(C)C)cc1	777692280	JRXRJBUXNUHHBJ-CYBMUJFWSA-N	309.413	3.212	10	20	DGCD	
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(F)c1O	775736008	IVXZYFTUFVBNTA-KGLIPLIRSA-N	312.816	3.243	10	20	DGCD	
CC[C@@H](NCCCO[C@@H]1CCOC1)c1cc(Cl)ccc1O	775514162	XJSQTZSFRXVIDX-UKRRQHHQSA-N	313.825	3.282	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCCOC[C@H]3C)c2c1	772819463	CPBMVCICVVAMLZ-CYBMUJFWSA-N	301.386	3.165	10	20	DGCD	
CC(C)C(=O)N(C)CSc1ncc(-c2ccccc2)n1C	882070231	HXLHIEAOQKWDFW-UHFFFAOYSA-N	303.431	3.251	10	20	DGCD	
COc1ccc(N(CCC(C)C)Cc2cc(=O)c(O)co2)cc1	796506212	VRKDUPCIXZFYJO-UHFFFAOYSA-N	317.385	3.407	10	20	DGCD	
CCOCC(C)(C)CNCc1cccc(Br)c1O	394047084	KIQKPQCQKCMKBQ-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)C12CCC2	799733215	CHVRINIGLCUYKA-IAGOWNOFSA-N	306.425	3.329	10	20	DGCD	
C[C@H]1CC[C@@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1	1321101279	QRFLBRLSGNFSFO-JKSUJKDBSA-N	319.468	3.103	10	20	DGCD	
CN[C@H](C)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C	1261461490	NGAPKLWSOZHJPH-CQSZACIVSA-N	313.445	3.130	10	20	DGCD	
COc1ccc(CN[C@@H](C)CCNC(=O)C2=CCCC2)cc1C	1267126060	GTXARINHCOKNIP-HNNXBMFYSA-N	316.445	3.098	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1nc(O)c(C)s1	1346962650	UNYBMZAJDATBTM-UHFFFAOYSA-N	320.414	3.305	10	20	DGCD	
C[C@H](NC[C@H](C)CC(F)(F)F)c1cc(C(=O)O)ccc1O	1604184174	HTBMFJNLTKKYHV-BDAKNGLRSA-N	305.296	3.330	10	20	DGCD	
C[C@@H](NCc1ccc2ncccc2c1)c1cc(C(=O)O)ccc1O	1593304273	KIROARJATOVXRX-GFCCVEGCSA-N	322.364	3.489	10	20	DGCD	
CCN1CCCc2cc(CN[C@H]3CCC[C@H](C(=O)O)C3)ccc21	1776876072	QQBZLLBBLXAPKS-IRXDYDNUSA-N	316.445	3.192	10	20	DGCD	
CCN1CCc2cc(CN[C@H](CC(=O)O)C(C)(C)C)ccc21	1776877629	LKROYFTUICLGIY-MRXNPFEDSA-N	304.434	3.048	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOC(C)(C)C1	161737035	DCUJJOSRZVZZDZ-HNNXBMFYSA-N	320.433	3.271	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)C[C@H](C)O	153858695	HRJYCMFQSBNPMT-RISCZKNCSA-N	320.458	3.292	10	20	DGCD	
C[C@H](Cc1cnn(C)c1)NCc1cc(Cl)cc(Cl)c1O	809775978	NKOOXTHTSIOPOH-SECBINFHSA-N	314.216	3.153	10	20	DGCD	
CN(Cc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2	178881027	UCCQEGNICGJTEX-UHFFFAOYSA-N	304.277	3.099	10	20	DGCD	
CCCCN(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	102577792	WUGNNHGLETTYLV-UHFFFAOYSA-N	319.449	3.106	10	20	DGCD	
Cc1ccccc1C1(C(=O)NCc2ccc(N(C)C)cc2)CC1	170701447	GTSIFCCQLHKLPD-UHFFFAOYSA-N	308.425	3.409	10	20	DGCD	
CCc1nc(CN(C)c2cc(OC)c(OC)c(OC)c2)cs1	125744560	UUKMWECKVAHDDM-UHFFFAOYSA-N	322.430	3.368	10	20	DGCD	
Cc1ccc(C[C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)s1	180799374	HVKCYHHRFSTIFN-BWNDKRECSA-N	317.410	3.228	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1	186211684	UVPMVIQJSLLUAB-MBNYWOFBSA-N	306.406	3.025	10	20	DGCD	
COCCO[C@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1	188927000	YIAUBKMEJIHZJH-INIZCTEOSA-N	321.461	3.235	10	20	DGCD	
Oc1ccc(F)cc1CN1CCCN(Cc2ccccc2)CC1	183251912	DXQWVOKYWKMGPK-UHFFFAOYSA-N	314.404	3.239	10	20	DGCD	
CCOc1ccc(NCc2cc3c(cc2O)OCO3)c(C)c1	120139851	KTQCCEODLOYGHT-UHFFFAOYSA-N	301.342	3.440	10	20	DGCD	
CC[C@H](C)CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1	127980940	TUTZAOXOSUJHKA-HNNXBMFYSA-N	301.434	3.250	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nc(C3CC3)no2)c1	182345807	ORZIKWFKTQTREK-ZJUUUORDSA-N	303.362	3.073	10	20	DGCD	
COCCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	72089230	MDWCJUVWQQJFFG-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1nc(C(C)(C)C)cs1	187077704	TXFZVVPOIRIYFC-VIFPVBQESA-N	320.414	3.343	10	20	DGCD	
CN1CCc2cc([C@@H]3NC(=O)c4cc(Cl)ccc4N3)ccc21	130268533	XQVZUULUEKTBFT-INIZCTEOSA-N	313.788	3.186	10	20	DGCD	
C[C@@H](C[S@@](C)=O)N[C@@H](C)c1cc(Cl)c(Cl)cc1O	193280352	ALSFMWDXLWIRHL-QQJLPTOTSA-N	310.246	3.117	10	20	DGCD	
CC[C@@H](NCc1cncn1C)c1cc(Br)ccc1O	289627980	FBPOODFQQXIOQF-CYBMUJFWSA-N	324.222	3.129	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1	90655168	PZMFVWRQQKRFOC-TWOQFEAHSA-N	312.457	3.395	10	20	DGCD	
CSCCCN1C(=O)/C(=C\c2cccnc2C)SC1=S	255472726	VWKGNWJKODFBDA-FMIVXFBMSA-N	324.496	3.344	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCSC1	283476056	WSVWVBCKYHTZSQ-AWEZNQCLSA-N	322.474	3.457	10	20	DGCD	
COc1cccc(OC)c1CNCc1ccc(N(C)C)c(F)c1	285477108	OHCNDLTVWAKPEC-UHFFFAOYSA-N	318.392	3.199	10	20	DGCD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O1	807839291	KQNQEJLHQSYSIY-OTPXZMOZSA-N	318.200	3.129	10	20	DGCD	
CC(C)(C)OC(=O)N1CCCN1Cc1cc(Cl)ccc1O	811503164	XTLNFVFVRGWMJZ-UHFFFAOYSA-N	312.797	3.403	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H](C2CCCC2)C2CC2)cc1	817940872	LTNCDPAEQNGLAX-MOPGFXCFSA-N	301.478	3.311	10	20	DGCD	
Oc1ccccc1[C@@H](CCc1ccccc1)N[C@@H]1CCCNC1	817942105	WTVRFSKNTMIUPH-IEBWSBKVSA-N	310.441	3.408	10	20	DGCD	
CCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCC1	817950041	QTZAJWCSMODYCZ-UHFFFAOYSA-N	315.442	3.331	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc3cnn(C)c3c2)cc1F	812772651	YIYVHLOGRNWSHK-UHFFFAOYSA-N	312.392	3.068	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCC1(F)F	811513119	WKLAIXWKIRGWCO-MRVPVSSYSA-N	320.723	3.431	10	20	DGCD	
Cc1cc(O)c(CN2CCC(CC(=O)N(C)C)CC2)cc1Cl	825474308	AFPSHVHVLGRISM-UHFFFAOYSA-N	324.852	3.044	10	20	DGCD	
Cc1cc(O)c(CNC[C@@](C)(O)c2ccsc2)cc1Cl	825291278	HUFMBJWAPMXVJG-OAHLLOKOSA-N	311.834	3.413	10	20	DGCD	
CCn1cc([C@@H](C)NCc2cccc(Br)c2O)cn1	825129716	BKTTZBCXQMUJEZ-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
CCN(CC)C(=O)CN(Cc1ccccc1O)C1CCCC1	732204340	JCFHHJFPZANXRJ-UHFFFAOYSA-N	304.434	3.005	10	20	DGCD	
O=C(N[C@H](c1ccccc1)c1cccnc1)c1cc(O)cs1	732286338	RAEYOPIMMDQMAC-MRXNPFEDSA-N	310.378	3.368	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(Cc2ccccc2)CC1	588511240	UCWBGPUIHMMAJI-CLFYSBASSA-N	309.365	3.003	10	20	DGCD	
CCn1nnc(C)c1CN(CC1CC1)c1ccc(OC)cc1	831593497	LEKXMDWBBMRUIV-UHFFFAOYSA-N	300.406	3.032	10	20	DGCD	
CC[C@H](CO)N(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	833336954	KOMFDOCBOAZAQM-OAHLLOKOSA-N	318.392	3.076	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1C[C@H](C)Oc2c(F)cccc21	588519928	VEXFEFIYSDJMRN-GFVADAIESA-N	318.373	3.418	10	20	DGCD	
Oc1c(F)cccc1CN1CCNC[C@H]1c1cccc(Cl)c1	843113670	ATBPVYHILMHMCR-INIZCTEOSA-N	320.795	3.331	10	20	DGCD	
C[C@@H]1C(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C[C@@H]1C	840037961	ZJBAXZBBECGTOK-RYUDHWBXSA-N	324.371	3.113	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC(F)(F)C1	845064301	HBXJQTMNZLWBDA-SNVBAGLBSA-N	304.724	3.033	10	20	DGCD	
COc1ccc(O)c(CNCc2ccc(OC)c(Cl)c2)c1	742371247	LZHYOGHASDRBGV-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	840889941	JJTOZXHINYSFQQ-DTWKUNHWSA-N	319.232	3.263	10	20	DGCD	
CC1=CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1	840482053	RPWHJHSVRGQHQO-INIZCTEOSA-N	315.461	3.354	10	20	DGCD	
COc1cccc([C@H](O)CN[C@@H](C)c2ccc(Cl)cc2O)c1	841764910	TUMPNTDOZSOLEH-APPDUMDISA-N	321.804	3.438	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCCCO2)cc1	755085315	ROOQTOZTUFCPGG-SFHVURJKSA-N	318.461	3.450	10	20	DGCD	
COC(=O)c1cccc(CN(C)c2ccc(OC)cc2OC)c1	752125952	MLOMZDSYSZVHLB-UHFFFAOYSA-N	315.369	3.127	10	20	DGCD	
COc1cc(CNC[C@@H]2CCC[C@@H](O)C2)c(O)c(C(C)(C)C)c1	850155607	DOWLJLFTLOBSEU-UKRRQHHQSA-N	321.461	3.339	10	20	DGCD	
CC[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1	852595714	UHUSQPAKTSNMIJ-MRXNPFEDSA-N	302.418	3.259	10	20	DGCD	
COC(=O)c1ccc(CN2CCCCc3cc(OC)ccc32)o1	766270591	JVOZZJUXAOZLHQ-UHFFFAOYSA-N	315.369	3.418	10	20	DGCD	
COc1cc(CN2CCO[C@@H](c3ccccc3)C2)c(O)cc1C	768442379	TZBNWBACFBFOGI-LJQANCHMSA-N	313.397	3.283	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Br)ccc2O)CCS1	769446902	QBEBGJANSMWEDO-LBPRGKRZSA-N	316.264	3.482	10	20	DGCD	
CCOc1ccc(CNC[C@@]2(C)CCO[C@@H]2C2CC2)c(O)c1	767196972	ZWMRVLZPNBYNCS-QZTJIDSGSA-N	305.418	3.086	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1(c2ccccc2)CCC1	779474535	AOSRJDVZKUYHLI-NTMALXAHSA-N	323.392	3.349	10	20	DGCD	
COC(=O)CC[C@H]1CCCN(Cc2cccc(Cl)c2O)C1	877818958	UCRGHUMDHCFNAZ-GFCCVEGCSA-N	311.809	3.211	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)CC2CCCCC2)c1O	774827064	NFWDYEDQLKFILL-UHFFFAOYSA-N	308.378	3.321	10	20	DGCD	
COC(=O)Cc1cccc(NCc2c(O)cccc2Cl)c1	779595492	AIBHQVKYQVPYNN-UHFFFAOYSA-N	305.761	3.373	10	20	DGCD	
C[C@@H](NC(=O)c1c[nH]c2ncccc12)c1ccc(N(C)C)cc1	775402297	CHHDBQQFPZFWMK-GFCCVEGCSA-N	308.385	3.120	10	20	DGCD	
COc1cc(CN2CCOCC3(CCCC3)C2)c(O)cc1C	774651097	IKIVUXRIYLIYRP-UHFFFAOYSA-N	305.418	3.102	10	20	DGCD	
CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1OC	779505858	KPDCVQWPNOXRKR-PKNBQFBNSA-N	313.353	3.173	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccccc2O)nn1[C@H](C)C1CC1	777414956	QOEDFRQSBQSGNX-CYBMUJFWSA-N	313.401	3.140	10	20	DGCD	
COc1cc(N2CCc3ccsc3C2)c([N+](=O)[O-])cc1OC	1120787051	YUKVTXZCRSHSII-UHFFFAOYSA-N	320.370	3.236	10	20	DGCD	
CN(C)CCc1ccc(NCc2cc(F)cc(F)c2O)cc1	883060015	TZHBGQFDFJDJHB-UHFFFAOYSA-N	306.356	3.387	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)[C@H]([C@@H](C)O)C1	785990116	ZAUGHONHFSDMJY-RULNRJAQSA-N	301.789	3.166	10	20	DGCD	
CCCC[C@@H](C)C(=O)NCCNCc1ccc(OC)c(C)c1	1126578660	FEFRXAYQURVDDP-CQSZACIVSA-N	306.450	3.036	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(Cc2ccoc2)C2CC2)cc1	891606138	FFHUODOTMSEETN-UHFFFAOYSA-N	313.401	3.220	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ncnn2-c2ccccc2)c1	786936579	FTAKIYHAMOVLCE-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
COc1ccc(CN2CCC(OC(C)(C)C)CC2)c(O)c1OC	891789849	RGXCEKFVGKDVCD-UHFFFAOYSA-N	323.433	3.189	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N(C(C)C)C(C)C	796306870	XFSPYEXSGJWDRY-UHFFFAOYSA-N	304.434	3.093	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC[C@@H](OC)C2)c1	793688679	GUFLEXBLPRYZKO-BFHYXJOUSA-N	321.417	3.173	10	20	DGCD	
CC[C@@H](C)CC[C@H](O)CC(=O)N(C)Cc1ccc(N(C)C)cc1	792878348	QJSDBBFASOBZPC-QAPCUYQASA-N	320.477	3.288	10	20	DGCD	
Oc1cc(Br)ccc1CNC[C@@H]1CCCS1	691465564	JCWVWKOTIBDQMA-NSHDSACASA-N	302.237	3.140	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCCC[C@@H](C)C1	1520739523	ZPPAMXMFOIMWDX-LLVKDONJSA-N	306.435	3.359	10	20	DGCD	
C[C@H](N[C@H](C)c1ncc(C(=O)O)s1)c1ccc(N(C)C)cc1	1609772968	DHZNDRCTJCEZBC-WDEREUQCSA-N	319.430	3.319	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)cn2)cc1Cl	1607268532	ZTFHBPCYSRDPBY-UHFFFAOYSA-N	306.749	3.078	10	20	DGCD	
O=C(O)c1cnc(SCc2nc(C3CCCC3)no2)s1	1608979195	OARHUIOCYWQYOK-UHFFFAOYSA-N	311.388	3.174	10	20	DGCD	
CN(C/C=C/c1ccc(F)cc1)c1ccc(OCC(=O)O)cc1	1610114492	JJACLBPQMXZWCE-NSCUHMNNSA-N	315.344	3.439	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2cc(N)ccc21)c1cc(C(=O)O)ccc1O	1593234436	ZZOUCERNYWKKEK-QLJPJBMISA-N	312.369	3.011	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CC[C@@H](C)C2)cc1F	1776861154	HWYFJJFOCUYMEJ-FZKQIMNGSA-N	322.424	3.405	10	20	DGCD	
CC[C@@H](C)[C@H](CNCc1cccc(Br)c1O)OC	381108992	BUAICGQWJJMSQK-MFKMUULPSA-N	316.239	3.305	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3cc(F)ccc3o2)c1O	117972566	POPMWXSBTICMFU-UHFFFAOYSA-N	315.300	3.216	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@H]2CCOC2)cc1	177309042	IOHFGFZGUQDMTC-MRXNPFEDSA-N	312.413	3.203	10	20	DGCD	
COC(C)(C)C[C@@H](C)NCc1cccc(Br)c1O	174554722	QQRQSXKXCGBDHX-SNVBAGLBSA-N	316.239	3.448	10	20	DGCD	
C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(N2CCCC2)cc1	1343027123	LEUFFVALZCSIRI-HNNXBMFYSA-N	317.477	3.022	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccncc1	174007945	SEXPYJUXNPIKLN-CVEARBPZSA-N	311.429	3.330	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H]3CCOC3)c2C)c1	179203463	CTMDGVQBCDZNJD-INIZCTEOSA-N	312.413	3.230	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)C[C@H]2CCCN(C)C2)c1O	177184635	JLMNIAOAVIZNQM-ZDUSSCGKSA-N	324.852	3.022	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCOC[C@H]1CCCO1	1342390780	SCLOMFOMKGKWNA-KFWWJZLASA-N	305.418	3.034	10	20	DGCD	
CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(O)c2O)s1	187122922	JOESJNWBEBGEKE-SNVBAGLBSA-N	320.414	3.258	10	20	DGCD	
Cc1cc(C(=O)N(C)C[C@@H](C)O)c(C)n1-c1ccc(Cl)cc1	125896562	BDLQGATTYRVYOG-GFCCVEGCSA-N	320.820	3.200	10	20	DGCD	
COc1ccc(N2CCCN(CCC(F)(F)F)CC2)cc1	77268238	FGFNJIUCHPXIGY-UHFFFAOYSA-N	302.340	3.160	10	20	DGCD	
CCOC(C)(C)CNC(=O)NCc1ccc(N(CC)CC)cc1	187638160	WBCZECYLRYGSAD-UHFFFAOYSA-N	321.465	3.147	10	20	DGCD	
CC(C)N1CC[C@H](N[C@H](C)c2ccc3ccccc3c2O)C1=O	186048170	NINODEFMXMBVNH-DYVFJYSZSA-N	312.413	3.205	10	20	DGCD	
COc1cccc(CNc2cnc3cc(F)c(F)cc3n2)c1O	122790911	ZNCWCZXFUZRHOP-UHFFFAOYSA-N	317.295	3.234	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1	314031642	BZVFYERATNXYTP-CLFYSBASSA-N	304.346	3.463	10	20	DGCD	
Cc1cc(Cl)ncc1NC(=O)NCc1ccc(N(C)C)cc1	132809658	SEJCSAKJWQFMLR-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2c(C)cccc2OC)c1	195031564	UREMHPFMDGWZTI-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
C[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	47098326	PTWCZJIZGLZZQB-WBVHZDCISA-N	315.461	3.474	10	20	DGCD	
CC[C@@]1(CO)CCCN(Cc2cc(Cl)cc(OC)c2O)C1	190219209	MMFCVIJXAZAPEY-MRXNPFEDSA-N	313.825	3.039	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)c1cccc(F)c1	267180337	KANYPYIZICFYJA-KPZWWZAWSA-N	320.383	3.243	10	20	DGCD	
CCOc1cccc(CNC(CC)(CC)CC(=O)OC)c1O	267274187	NCZKVXUCXBZPKX-UHFFFAOYSA-N	309.406	3.002	10	20	DGCD	
C[C@H](NCC1(CCO)CCCCC1)c1cc([N+](=O)[O-])ccc1O	273624184	ZZTGWQKNULVTNH-ZDUSSCGKSA-N	322.405	3.284	10	20	DGCD	
Cc1ccccc1C1(C(=O)NCc2ccc(O)c(O)c2)CCC1	276585430	YSDPUMMQGACGOJ-UHFFFAOYSA-N	311.381	3.144	10	20	DGCD	
COC(=O)c1cnc(SCCc2csc(C)n2)s1	295156791	GBXVZGOHPMUPPQ-UHFFFAOYSA-N	300.430	3.029	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1OCC	808093222	KCRQREBWLNEZOU-UHFFFAOYSA-N	320.385	3.207	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1sccc1CC	808093237	KSQKVYLNWPREAQ-UHFFFAOYSA-N	310.415	3.432	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCc2cc(Cl)ccc21	804346882	VTDKDSIXVJUNAD-DAFODLJHSA-N	302.736	3.477	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ncc(Cl)n2C)C2CC2)cc1	298747289	ZUWXMVVIRPFCFY-UHFFFAOYSA-N	318.852	3.304	10	20	DGCD	
C[C@@H](NCc1nc(C2CC2)n[nH]1)c1cc2c(cc1O)CCCC2	295837952	AICXWUKHLJNNCH-LLVKDONJSA-N	312.417	3.117	10	20	DGCD	
COCC[C@@H]1COCCN1Cc1cc(C)cc(C(C)(C)C)c1O	812302387	WNKKIANIRQHMRS-MRXNPFEDSA-N	321.461	3.235	10	20	DGCD	
C[C@H]1C[C@H](NC[C@H]2CC[C@H](CN)CC2)c2c(O)ccc(F)c21	817974811	FRZJFALGFNGZEX-ABHRYQDASA-N	306.425	3.434	10	20	DGCD	
C[C@H](CN1CCCCC1)NCc1cc(Cl)c(F)cc1O	816534729	SFJIUZWKUQNSQN-LLVKDONJSA-N	300.805	3.149	10	20	DGCD	
Cn1cncc1CCOc1ccc2c(c1)c1c(n2C)CCCC1	664105232	TZLLRFBHPOLARV-UHFFFAOYSA-N	309.413	3.412	10	20	DGCD	
CCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F	588405728	QFHILUSMLRSUQA-YWEYNIOJSA-N	317.316	3.288	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cc(C(=O)O)co1	736470866	BAQCZUMXDNBCHA-UHFFFAOYSA-N	316.401	3.454	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc(OC)cc1[N+](=O)[O-]	830395223	VVXYNVKHDHZJEB-UHFFFAOYSA-N	321.285	3.036	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc(Br)c(F)cc1O)[C@@H](C)O	834888219	NPWQBHLFDAOASN-RWYTXXIDSA-N	320.202	3.104	10	20	DGCD	
CC(=O)N1CCc2c(N[C@@H]3CCc4cccc(O)c43)cccc21	834768699	DPVVESPETOMGFX-MRXNPFEDSA-N	308.381	3.401	10	20	DGCD	
Cc1c[nH]cc1C(=O)N(Cc1ccco1)Cc1ccccc1O	743432099	BYTIUIXXCOOJSC-UHFFFAOYSA-N	310.353	3.464	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1nnc(C2CC2)s1	840973025	BVFLQMICGGEEEY-UHFFFAOYSA-N	313.785	3.203	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=N)NC1CCCCCC1	849075259	LLVUZWISCJJVMS-UHFFFAOYSA-N	302.466	3.398	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](Cc2nc(Cc3ccc(N)cc3)no2)CCO1	843158653	FRECRUFKIHLCDE-HOCLYGCPSA-N	315.417	3.236	10	20	DGCD	
C[C@H](C(=O)O)C1(NCc2ccc(N3CCCCC3)cc2)CC1	844292058	CRCXSDMFAZZZBM-CQSZACIVSA-N	302.418	3.020	10	20	DGCD	
C/C(=C/c1ccco1)C(=O)NCc1ccc2c(c1)CCCN2C	846842739	JHRXWYZTZYEWII-KAMYIIQDSA-N	310.397	3.382	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1ccc(C(F)F)nc1	857548584	PGIOGGZIHFEDTO-UHFFFAOYSA-N	312.703	3.308	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1ccnc(CO)c1	858327088	LCWMGZRDUXNEQZ-UHFFFAOYSA-N	311.429	3.201	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(Cl)n1	752718826	YZFYVQKWHHLXGP-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
C[C@H](N[C@@H](CO)[C@H](C)c1ccccc1)c1cc(F)cc(F)c1O	756713057	SPVADNMRZFGIIX-PEBVRCNWSA-N	321.367	3.486	10	20	DGCD	
Cc1cc(C(F)(F)F)c(NCc2ccc(N(C)C)cc2)nn1	750456059	FGXPKDRTSDPZCY-UHFFFAOYSA-N	310.323	3.482	10	20	DGCD	
C[C@@H](NCCN1Cc2ccccc2C1)c1ccc(N(C)C)cc1	765403430	QFLXVZGGBBXRRZ-MRXNPFEDSA-N	309.457	3.419	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H]2C[C@H]2C1	862220759	ZUKJRNLJRISYER-CVEARBPZSA-N	322.408	3.389	10	20	DGCD	
CC(=O)Nc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1	864354706	ACIFIIWFMQUFRW-JYRVWZFOSA-N	318.423	3.009	10	20	DGCD	
CC[C@H](C)[C@H]1CCCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768444545	CNFFTPZZKHGOHG-MJEQTWJJSA-N	305.418	3.219	10	20	DGCD	
CCOC(=O)COc1ccc(NCc2c(C)cccc2O)cc1	877324569	BLYWWBJOVXZVIR-UHFFFAOYSA-N	315.369	3.255	10	20	DGCD	
Cc1cccc(O)c1CN(C)Cc1cn(C)nc1C(F)(F)F	876813316	BCCTXJSTLXOBKL-UHFFFAOYSA-N	313.323	3.085	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1c(O)cccc1F	886553896	XRDBRDPSOHHGOL-MQIPJXDCSA-N	311.422	3.237	10	20	DGCD	
COc1ccccc1O[C@@H](C)CNCc1cc(F)cc(F)c1O	883019791	CSDCGNASFKUHKL-NSHDSACASA-N	323.339	3.236	10	20	DGCD	
C[C@H](NCC(=O)NC1CCCCCC1)c1ccc(N(C)C)cc1	775830120	DAHRQWDANSLZJR-HNNXBMFYSA-N	317.477	3.242	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cscc2C)c1	786925478	HYHBTHMLWDKPNZ-LLVKDONJSA-N	305.399	3.400	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)NCc2cc(C)cc(OC)c2O)n[nH]1	894554916	BPFVCVRBZZSHNF-NWDGAFQWSA-N	318.421	3.192	10	20	DGCD	
C[C@@H](NCCc1ccc2c[nH]nc2c1)c1cc(F)cc(F)c1O	793576714	YOWJPVJSXIQYBV-SNVBAGLBSA-N	317.339	3.440	10	20	DGCD	
COc1ccc(CNc2cc(C(F)(F)F)nc(C)n2)c(O)c1	795292057	KERHOPSJQQUHPK-UHFFFAOYSA-N	313.279	3.130	10	20	DGCD	
COc1ccc(CNC(=O)Nc2nc(C3CC3)cs2)c(O)c1	794762380	TXEBKOOWTIZQOU-UHFFFAOYSA-N	319.386	3.056	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H]1CCN(C(C)(C)C)C1=O	1326500855	JPLSQFZOZPHCPS-HZSPNIEDSA-N	316.445	3.238	10	20	DGCD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N)cc1	1353492866	ONPHGNQJDDUFPI-LSDHHAIUSA-N	307.463	3.132	10	20	DGCD	
O=C(O)c1cc([N+](=O)[O-])c(NCc2ccccc2O)cc1Cl	1602299087	LPGJSVQLERMKAE-UHFFFAOYSA-N	322.704	3.264	10	20	DGCD	
O=C(O)c1cccc(C(=O)NCc2c(O)ccc3ccccc23)c1	1595241328	QJABVRYKNDYYOK-UHFFFAOYSA-N	321.332	3.174	10	20	DGCD	
C[C@H](Sc1nccs1)C(=O)c1ccc2c(c1)CC(=O)N2C	163267531	RKTKHMCXNXWRNE-VIFPVBQESA-N	318.423	3.026	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1	168982695	HLVKPPIYQQFPEO-KURKYZTESA-N	300.446	3.190	10	20	DGCD	
C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1O	154066006	IJOLHODKAIXZIT-QAPCUYQASA-N	324.424	3.407	10	20	DGCD	
CC[C@@H](NCCCN1CCCCCC1=O)c1ccccc1O	154891379	WHOASYBNOZMFKL-MRXNPFEDSA-N	304.434	3.226	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNC[C@@H]1CCC=CO1	715712144	IZJCHDARMRXTBJ-NSHDSACASA-N	316.170	3.076	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN1CCC(F)(F)C1	715792261	ARXAPGQSJSPQKS-UHFFFAOYSA-N	310.113	3.135	10	20	DGCD	
CCCCCCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	177274043	DSPQRJXVPQXGAA-UHFFFAOYSA-N	322.424	3.453	10	20	DGCD	
Cc1ccccc1C(C)(C)C(=O)NCCc1ccc(O)c(O)c1	179094062	DLQJOOYJRKJIPE-UHFFFAOYSA-N	313.397	3.043	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H](C)[C@H]2CCN)c1O	404315970	OEYNQWIIOGITND-SMDDNHRTSA-N	312.841	3.004	10	20	DGCD	
O=C(NCc1ccccc1)NCc1ccc(N2CCCC2)cc1	31091119	MBTGGBMCBKCSFT-UHFFFAOYSA-N	309.413	3.286	10	20	DGCD	
COCCCN[C@@H](C)c1cc(Br)cc(C)c1O	186912494	YAWWLVFRKQCKPI-JTQLQIEISA-N	302.212	3.150	10	20	DGCD	
COc1cc(Cl)cc(CNCCOCC2CCCC2)c1O	313256962	UJYLXUIYJIHFMN-UHFFFAOYSA-N	313.825	3.351	10	20	DGCD	
CC(C)=CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	190567774	SELKXXHDZYPKKH-MRXNPFEDSA-N	318.417	3.049	10	20	DGCD	
Cc1ccccc1C[C@H](CO)N[C@H](C)c1ccc(N(C)C)cc1	191567319	OQKHJLIHKYHOAO-VQIMIIECSA-N	312.457	3.315	10	20	DGCD	
CNC(=O)CCCN(C)Cc1cc(-c2ccccc2)ccc1O	93717638	WRVOELUHEPJDIK-UHFFFAOYSA-N	312.413	3.017	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C)O1	247671451	PXPXULYQJGJVKB-IUODEOHRSA-N	307.434	3.395	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H]1CCCCO1	272044857	CWXXTTLTYACMAT-WMLDXEAASA-N	320.433	3.271	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2c2ncc[nH]2)c1O	375346510	ZLJFEJNDIMSIBE-NSHDSACASA-N	322.752	3.014	10	20	DGCD	
Cc1nc2c(C(=O)N(C)Cc3ccc(N(C)C)cc3)cccc2[nH]1	283573396	VTBVSLJNXIKVAC-UHFFFAOYSA-N	322.412	3.210	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1	281575817	CWESIHPTQDEOSA-QMTHXVAHSA-N	311.809	3.248	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@@H]2c2nc(C)no2)c(O)c1	289845641	PSARWEPOBPTGOD-OAHLLOKOSA-N	317.389	3.210	10	20	DGCD	
CCOCC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	807837993	HETOIMVDXUGCAO-UHFFFAOYSA-N	318.200	3.132	10	20	DGCD	
CCCCN(CCC(=O)NC1CCCC1)Cc1ccccc1O	801596849	QZOZZMJSNWHAJG-UHFFFAOYSA-N	318.461	3.443	10	20	DGCD	
CN(C)[C@@H](CN[C@H]1CCc2cccc(O)c21)c1cccs1	295992082	NTQKXIJTGTXCKK-KBPBESRZSA-N	302.443	3.334	10	20	DGCD	
C[C@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(N(C)C)cc1	296584776	UPZQEZGNQPVYKB-NSHDSACASA-N	324.350	3.412	10	20	DGCD	
CCOCc1cc(CNCCc2scnc2C)ccc1OC	295006970	LTHDZYUNILAACB-UHFFFAOYSA-N	320.458	3.329	10	20	DGCD	
CN1CCN(c2ccc(CN(C3CCC3)C3CCC3)cc2)CC1	814177523	FSPCMQSIMNXKQW-UHFFFAOYSA-N	313.489	3.345	10	20	DGCD	
CSC1(CN[C@H](C)c2c(C)cc(C)cc2O)CCN(C)CC1	815627800	JZXJSBQMZNMFMK-OAHLLOKOSA-N	322.518	3.487	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cccnc1Cl	817941935	LUNGQRWIAAOAGU-BLLLJJGKSA-N	318.852	3.152	10	20	DGCD	
CC(C)N1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	727823458	JEMBLNOBBMMOFZ-UHFFFAOYSA-N	320.477	3.311	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCN(C3CCCCC3)C2)c1O	827259439	FFMQIMWQHSUEEL-QGZVFWFLSA-N	302.462	3.451	10	20	DGCD	
Cc1cc(O)c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1Cl	826023914	KZFNRBWYERPTQD-DLBZAZTESA-N	307.821	3.497	10	20	DGCD	
CCn1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)c1Cl	827937431	WGRWJPMCOAHYJC-SECBINFHSA-N	307.781	3.061	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)CCC3(C)CC3)C2)cc1	823201718	IQQPZJJJHCPIAG-OAHLLOKOSA-N	316.445	3.218	10	20	DGCD	
O=C(NCCCSc1nccs1)NC1(C2CCC2)CC1	845048141	ZMQXECUTRMQFMF-UHFFFAOYSA-N	311.476	3.257	10	20	DGCD	
COc1cccc(O)c1CN1CCCCN1C(=O)OC(C)(C)C	846069149	DBXXBFXXGWDRHU-UHFFFAOYSA-N	322.405	3.149	10	20	DGCD	
CCN(CC(=O)N(C1CCCC1)C1CC1)c1ccc(OC)cc1	746107705	MBEJCYSCPATMEJ-UHFFFAOYSA-N	316.445	3.455	10	20	DGCD	
CC(C)c1nn(C)cc1NC(=O)NCc1cc(Cl)ccc1O	844652535	IPKZDCJSWIEUCZ-UHFFFAOYSA-N	322.796	3.224	10	20	DGCD	
CCN(CC)c1ccc(CNC2([C@H](C)C(=O)O)CC2)cc1F	844289243	ACDAIQSCMVREGL-GFCCVEGCSA-N	308.397	3.015	10	20	DGCD	
COc1cccc([C@@H](C)NCC(C)(C)N2CCCCC2)c1O	846136047	GRZVIOGFOKDTOI-CQSZACIVSA-N	306.450	3.316	10	20	DGCD	
CC(C)(C)N1CCC(NCc2ccc3c(c2)CCCO3)CC1	921563564	NKEBXLGCMULYLW-UHFFFAOYSA-N	302.462	3.364	10	20	DGCD	
CCc1csc(N2CCN(c3ccc(OC)cc3)CC2)n1	756954156	IUAKEWFEEVWGBS-UHFFFAOYSA-N	303.431	3.041	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)c(O)c1	756762900	SUGFQHGOPRNYFL-PBHICJAKSA-N	316.445	3.285	10	20	DGCD	
CON(C)CCN[C@@H](C)c1ccc(N2CCCCCC2)cc1	850481155	YFDXLYRRLLPYLS-INIZCTEOSA-N	305.466	3.211	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c1	933136214	DOJLVQZUUIVXQJ-GFCCVEGCSA-N	312.369	3.346	10	20	DGCD	
CC[C@@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O	850557942	ORZLOYSSXWENSJ-GDBMZVCRSA-N	318.461	3.388	10	20	DGCD	
C[C@@H]1C[C@H](CCNCc2cc(Cl)cc(F)c2O)CCO1	753584949	CHBUOWKDFMUUJA-GHMZBOCLSA-N	301.789	3.480	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c1CNC2	852789663	CUPCFPBNEYYHSE-UHFFFAOYSA-N	307.397	3.142	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N(C)C)cc1	868515940	XIHHGOXROJYBDI-OASPWFOLSA-N	315.339	3.064	10	20	DGCD	
C[C@H]1[C@@H](N2CCCC2)CCN1Cc1cc(F)c(N(C)C)cc1F	862366018	AJFUAOWMAAQBQO-GUYCJALGSA-N	323.431	3.089	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(C)sn2)cc1	766416061	NBWGKRREFMOVEJ-UHFFFAOYSA-N	303.431	3.228	10	20	DGCD	
CCC(=O)N1CCC[C@H]([C@H](C)NCc2ccc(OC)c(C)c2)C1	1036321604	CTRBYAHGYISEFU-RDJZCZTQSA-N	318.461	3.130	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCCC2CCCCC2)c1O	774963874	LQKQZPVNOLLRKC-UHFFFAOYSA-N	308.378	3.369	10	20	DGCD	
CC[C@@H]1C[C@@H](C)CN1Cc1ccc(N2CCN(C)CC2)cc1	775708877	PIJJXCCBOLAPTF-SJLPKXTDSA-N	301.478	3.059	10	20	DGCD	
Cc1ccc2c(c1)N[C@H](c1cc(Cl)cc(F)c1O)NC2=O	877864619	OYJNORUPTCIGQG-AWEZNQCLSA-N	306.724	3.347	10	20	DGCD	
CCOC(=O)C[C@@](C)(NCc1ccc(N(C)C)cc1)C(C)C	775374084	GQNSUDRRXICTJH-GOSISDBHSA-N	306.450	3.210	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1nccs1)c1ccc(N(C)C)cc1	1123737361	AYDWFVLRJAZCRK-LAUAKBEESA-N	301.415	3.100	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1[C@@H]1CCCO1)CCCC2	789500070	BZPDCUJLXWFVAS-MJGOQNOKSA-N	301.430	3.414	10	20	DGCD	
Cc1cc(C(=O)CN(C)CCCF)c(C)n1-c1ccc(F)cn1	887142552	PHXRHHZQDGGCAT-UHFFFAOYSA-N	321.371	3.102	10	20	DGCD	
C[C@H](NCc1ccc([S@](C)=O)cc1)c1c(O)cccc1F	886550111	SKELGYGHIPOBAJ-MQJDWESPSA-N	307.390	3.120	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3ncc(C)s3)CC2)cc1	1139812169	KVTYKNCJANFIAR-UHFFFAOYSA-N	317.458	3.172	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN1CC[C@@H]2C[C@@H]2C1	895326991	KEJNBFQDHPLODY-RKDXNWHRSA-N	300.171	3.136	10	20	DGCD	
C[C@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O	397773037	VZNSGOUIQUBDIP-NSHDSACASA-N	324.396	3.049	10	20	DGCD	
CO[C@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)C1	708073632	UBWRPQPAAANZDU-MGCOHNPYSA-N	320.614	3.075	10	20	DGCD	
OCCOc1ccc(NCc2c(O)ccc(Cl)c2F)cc1	790983003	ZEUQPKFQDLOZEI-UHFFFAOYSA-N	311.740	3.168	10	20	DGCD	
Cc1c([C@H](C)N[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)cnn1C	1254720970	DVZUUCSGHONERI-PKFCDNJMSA-N	303.381	3.472	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCC(=O)N2CCC[C@@H](C)C2)c(O)c1	1343914570	BLJGNHDPTAJGLS-CJNGLKHVSA-N	318.461	3.308	10	20	DGCD	
CC[C@H](CC(F)(F)F)N[C@H](C)c1cc(C(=O)O)ccc1O	1604983743	MVZUOTGZAKAFKF-PSASIEDQSA-N	305.296	3.472	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C)CC(=O)O	1607766352	UQDPTRDPMRBIPY-NSHDSACASA-N	307.371	3.176	10	20	DGCD	
CN(CCc1ccc(Cl)cc1)c1ccc(OCC(=O)O)cc1	1777063084	AWCVANARSYYGQN-UHFFFAOYSA-N	319.788	3.482	10	20	DGCD	
CC1(C)CCC(NCc2cc(F)cc(F)c2O)(C(=O)O)CC1	1776548154	POVMLDDRQUOOBS-UHFFFAOYSA-N	313.344	3.184	10	20	DGCD	
COc1cccc(CN2CCN(c3ccccc3C)CC2)c1O	162445121	ZHKOSRCMJGFZSV-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCc2cnn(C)c2)cc1	158234544	CCQPHBUDTXKAAI-HNNXBMFYSA-N	300.450	3.160	10	20	DGCD	
CSC[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1C	152515407	HTBWSJJSYJCWNP-INIZCTEOSA-N	321.490	3.098	10	20	DGCD	
CN(Cc1ccccc1O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1	172798543	OAYKLLPDYULSHM-CQSZACIVSA-N	320.433	3.081	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)OCCO2	30826309	AADHGVCJQFOGSB-UHFFFAOYSA-N	324.380	3.310	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(F)cc2)c1	171720571	JWROSJAABDAMJA-NSHDSACASA-N	318.348	3.100	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](O)c2c(F)cccc2F)cc1C	304309983	NHUVNRHDROWFNB-INIZCTEOSA-N	307.340	3.110	10	20	DGCD	
CC(C)OC1CC(NCc2ccc(N3CCSCC3)cc2)C1	189521155	DLASNEWVKZUTJL-UHFFFAOYSA-N	320.502	3.285	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2ccccc2C)c1	185185965	YURNRILNNKGFGT-CQSZACIVSA-N	301.386	3.439	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(c3ccc(F)cc3)CC2)c1	125400424	QZAOOFAARRFGSS-UHFFFAOYSA-N	314.404	3.470	10	20	DGCD	
C[C@H](NCCC(=O)NC1CCCCC1)c1ccc(F)cc1O	185091015	PQGRMHPFQBCGTC-LBPRGKRZSA-N	308.397	3.021	10	20	DGCD	
CCc1ccc([C@@H]2COCCN2Cc2ccc(N(C)C)cc2)o1	93459163	PHQDCSAIWADCBU-SFHVURJKSA-N	314.429	3.482	10	20	DGCD	
Cc1c(CN[C@H]2CCCc3nn(C)cc32)n(C)c2ccccc12	358993260	AVDRKSSNYHZLMS-INIZCTEOSA-N	308.429	3.387	10	20	DGCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1O	272875672	PQGLMAMKLHAZHA-HNNXBMFYSA-N	312.413	3.080	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCC[C@H]2CCO[C@H](C)C2)c1	273497787	YDPKNCDVIDSWEI-RDBSUJKOSA-N	321.417	3.035	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCC[C@@H]2CCO[C@@H](C)C2)c1	273497784	YDPKNCDVIDSWEI-MELADBBJSA-N	321.417	3.035	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@](O)(C2CC2)C1	369684256	SWSIBGLLBMQOIO-CQSZACIVSA-N	302.201	3.046	10	20	DGCD	
OC[C@H]1CN(Cc2cccc(Cl)c2O)CC[C@@H]1C(F)(F)F	289957457	YYYDQEVZSMEBOI-MNOVXSKESA-N	323.742	3.038	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SC[C@](C)(O)C(F)(F)F	281067101	SKGPJTMVSBVCRX-ZDUSSCGKSA-N	316.348	3.493	10	20	DGCD	
OCC1CCN(c2ccc(CN[C@@H]3CC[C@@H]3C3CC3)cc2)CC1	806133391	MGBWKZBRZZEYJD-WOJBJXKFSA-N	314.473	3.174	10	20	DGCD	
CC(C)[C@H](CO)CNCc1ccc(N(C)C)cc1C(F)(F)F	808421350	DFVIAIRJXZBUPK-ZDUSSCGKSA-N	318.383	3.126	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)Cc2cnccn2)c1O	808683406	FPUCSVFKHVHZOW-NWDGAFQWSA-N	305.809	3.426	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)[C@@]3(C)CCCO3)C2)cc1	818343182	ZBKAGAATRISUCD-GPMSIDNRSA-N	318.461	3.069	10	20	DGCD	
COCc1cc([C@@H](C)NCCc2ccc(N)cc2)ccc1OC	817955912	LAWGIEJDZIFZJY-CQSZACIVSA-N	314.429	3.317	10	20	DGCD	
Cn1nccc1[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	816494320	GWGRWXYJHBRBQR-NSHDSACASA-N	323.799	3.298	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2cc3ccccc3n(C)c2=O)c(O)c1	813882058	ZKJGCWBRKWJSFW-CQSZACIVSA-N	322.408	3.403	10	20	DGCD	
CO[C@@H]1CCC[C@@H]1CNCc1ccc(Br)cc1O	825405855	LFSWKKRXGOFWPS-BXUZGUMPSA-N	314.223	3.059	10	20	DGCD	
CC(C)OC1CCN(Cc2c(O)ccc3ccncc23)CC1	730563350	AZMSESUYMQVBPK-UHFFFAOYSA-N	300.402	3.330	10	20	DGCD	
CC[C@H](NCc1nc(-c2ccccn2)n[nH]1)c1ccc(C)cc1O	834903260	GXYWCABVLQOHCZ-AWEZNQCLSA-N	323.400	3.122	10	20	DGCD	
C[C@@H]1CCC[C@H](OCC(=O)NCc2ccc(N(C)C)c(F)c2)C1	732936194	SJZBVADWGKKVQU-HIFRSBDPSA-N	322.424	3.103	10	20	DGCD	
COc1cccc([C@H](C)NCc2nc3c(s2)CCC3)c1O	903191378	VHRWFFVBUVLMDL-JTQLQIEISA-N	304.415	3.197	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)COC1(C)CCC1	839920889	VIGMRYZEJXLOOF-OAHLLOKOSA-N	318.461	3.067	10	20	DGCD	
COC1(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1	836405247	ATXXGGPARVYHNA-AWEZNQCLSA-N	319.449	3.072	10	20	DGCD	
NC[C@@H]1CCCC[C@H]1NCc1cc(Cl)cc(Cl)c1O	841029994	IVPQEKSIJPAWAN-TVQRCGJNSA-N	303.233	3.306	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC(C)(C)CN	911632728	JMCQVBGBAYZFMW-UHFFFAOYSA-N	317.477	3.010	10	20	DGCD	
O=[N+]([O-])c1cc(CNCCC2CC2)ccc1N1CCCCC1	742383298	YKDPOXIYXIBRGP-UHFFFAOYSA-N	303.406	3.475	10	20	DGCD	
CCC(CC)(C(=O)NCc1ccc(O)cc1O)c1ccccc1	910950137	CXPPKXXJWVHWIC-UHFFFAOYSA-N	313.397	3.472	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O	840950416	IBGSEJSNTPSKLN-OTWHNJEPSA-N	302.462	3.186	10	20	DGCD	
COCCCCN(C)Cc1c(O)ccc2ccc(OC)cc12	841690849	NAMMQHYTNMEOHD-UHFFFAOYSA-N	303.402	3.412	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)c1	845973353	YDGAEDGCRRLBSF-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
Nc1ccc(Cc2noc(C[C@H]3OCCc4ccccc43)n2)cc1	843160185	WNJGVJBIJAISLL-QGZVFWFLSA-N	321.380	3.099	10	20	DGCD	
C[C@H](NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1O	850583519	OLSNBFBEGRYOCI-BJOHPYRUSA-N	311.303	3.194	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)O1	756934162	OOEOVRGOSJGFDL-WMLDXEAASA-N	322.424	3.246	10	20	DGCD	
CCOc1ccc(CNCc2cc(OC)ccc2F)c(O)c1	856800391	CVTGJDQFBJCNFQ-UHFFFAOYSA-N	305.349	3.228	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@H]2CCCN3CCCC[C@H]23)cc1F	858185927	KGQFVGNTADDWDV-DLBZAZTESA-N	323.431	3.137	10	20	DGCD	
COCc1csc(CN[C@H](C)c2cc(OC)ccc2O)c1	850533129	RBVOANRZXIOIIF-LLVKDONJSA-N	307.415	3.460	10	20	DGCD	
Cc1nc(C)c(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)s1	756552749	MSTPFXIHLLELOV-SECBINFHSA-N	321.402	3.267	10	20	DGCD	
CCCCCN(CCO)Cc1cc(Cl)cc(C(C)=O)c1O	750047397	PSGWXBIOYHYGBK-UHFFFAOYSA-N	313.825	3.233	10	20	DGCD	
C[C@@H](CCO)N[C@@H](C)c1cc(Br)cc(Cl)c1O	756592397	HYOCRAZIHIYRFN-YUMQZZPRSA-N	322.630	3.230	10	20	DGCD	
Nc1ccc(-n2cc(CN[C@H]3CCCc4ccccc43)nn2)cc1	864619185	AROKPTQLMDSNIK-IBGZPJMESA-N	319.412	3.017	10	20	DGCD	
O=C(CCOc1ccccc1Cl)NCc1ccccc1O	769363537	SWRYKGXOOQTPAQ-UHFFFAOYSA-N	305.761	3.131	10	20	DGCD	
Fc1cc(CN2CCCCCCC2)ccc1N1CCOCC1	768142858	HNAMWDSOZQNXJM-UHFFFAOYSA-N	306.425	3.428	10	20	DGCD	
COc1cccc(CNC(=O)Nc2scnc2C2CC2)c1O	762982380	TWXYECPTIGPKQI-UHFFFAOYSA-N	319.386	3.056	10	20	DGCD	
CC[C@@H](NCc1ccc(N(C)C)c(F)c1)C1(C(=O)OC)CCC1	779341734	PRFLEVBKAPLSRA-MRXNPFEDSA-N	322.424	3.103	10	20	DGCD	
C[C@@H](NC[C@H]1C[C@@H](N)C1)c1ccc(N2CCCCC2)c(F)c1	873257409	UTXUJTDITMFRRX-FMKPAKJESA-N	305.441	3.204	10	20	DGCD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)/C=C\c1ccc(O)c(O)c1	779499613	NPUHDFFYRGQPBQ-VCELZJIISA-N	309.365	3.223	10	20	DGCD	
CC(C)CN(Cc1ccc(N2CCC(O)CC2)cc1)C1CC1	876599287	WZSPVCYVYYMPJN-UHFFFAOYSA-N	302.462	3.268	10	20	DGCD	
C[C@@H](NC(=O)Nc1cnn(C(F)F)c1)c1ccc(N(C)C)cc1	775706774	DUPCPJVUDAWZPR-SNVBAGLBSA-N	323.347	3.227	10	20	DGCD	
CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cc(C)c(C)cc2O)C1	773327871	RNBQAZZLDABEKY-IBGZPJMESA-N	319.445	3.420	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCOCC(F)F)cc1	787152760	ZYEUEGOVCGNFNT-UHFFFAOYSA-N	300.393	3.246	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@H](C(C)C)N2CCOCC2)c(O)c1	788509758	ZRPNMYALFTVWBU-IAGOWNOFSA-N	320.477	3.016	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21	894900926	QDDZDQYGSAFLFS-ZBFHGGJFSA-N	323.383	3.452	10	20	DGCD	
CN(Cc1cc(F)cc(F)c1O)C[C@](C)(O)c1ccccc1	895055927	ZJHBZGIAPSQDOE-KRWDZBQOSA-N	307.340	3.010	10	20	DGCD	
COc1cccc(NCc2ccc(OC)c(OC)c2O)c1OC	896047196	XBIQAYVWPHIGCD-UHFFFAOYSA-N	319.357	3.039	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[C@H](C)C2)c1	793274333	SRRLLBILXMVIEZ-AVGNSLFASA-N	306.406	3.197	10	20	DGCD	
COc1ccc(N2CCN(c3cc(Cl)ccn3)CC2)cc1	1336947536	RHWLZWOBUMEJQZ-UHFFFAOYSA-N	303.793	3.070	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CC[C@@](C)(C(=O)O)C2)cc1F	1776861206	ODEPUGORRPODHH-KBXCAEBGSA-N	322.424	3.405	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCOCC(F)(F)F)cc1	159345048	SGSQKXQTJBNFNG-LBPRGKRZSA-N	304.356	3.372	10	20	DGCD	
COc1cccc(CNC(=O)C[C@H](C)c2ccccc2F)c1O	105650643	MNRAFAGENQNHQN-LBPRGKRZSA-N	317.360	3.350	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H](SC)c2ccccc2)c1	172404509	UBKIJNUQNSAOBN-MRXNPFEDSA-N	317.410	3.121	10	20	DGCD	
c1csc(CCNCc2ccc(N3CCCCC3)cc2)n1	60230171	AFRJTJMROSAEAC-UHFFFAOYSA-N	301.459	3.466	10	20	DGCD	
CC(=O)Nc1cccc(OCCN[C@H](C)c2ccccc2O)c1	183595271	OYEZOQKHTNZFOH-CYBMUJFWSA-N	314.385	3.080	10	20	DGCD	
COCCOc1ccc(C#N)cc1NCc1cc(F)ccc1O	183225193	IWTYCJUGHDKJCP-UHFFFAOYSA-N	316.332	3.040	10	20	DGCD	
COc1cccc2cc(C(=O)NCc3ccc(N(C)C)cc3)oc12	73896481	UEYUYXCOQBOTDI-UHFFFAOYSA-N	324.380	3.437	10	20	DGCD	
C[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1cccc(F)c1	183452732	DOKRJZCVCKJPQA-NEPJUHHUSA-N	317.360	3.088	10	20	DGCD	
Cc1csc([C@@H](NC(=O)NCc2ccccc2O)C2CC2)n1	73939508	VCFJSVZIDBVGRC-AWEZNQCLSA-N	317.414	3.108	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCCO[C@@H]2CC(C)C)c1O	185199576	JLHHUBXJCMIHFB-NVXWUHKLSA-N	307.434	3.474	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H](C)c2ccccc2)c1O	73498054	HWEVMPYPSGVZAY-CYBMUJFWSA-N	314.385	3.004	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@@H](C)N(CCC)Cc1ccccc1O	76074406	TVLNVRNFBVTWNR-LSDHHAIUSA-N	306.450	3.298	10	20	DGCD	
CC[C@@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1	91929317	AMKQKBVACASZFX-SNVBAGLBSA-N	314.223	3.395	10	20	DGCD	
CN(CCCOCc1ccccc1)C(=O)Nc1ccc(N)cc1	384093984	NNSIPEOMJPZZTK-UHFFFAOYSA-N	313.401	3.339	10	20	DGCD	
CC[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1O	367602263	SFFAQBSMZAUJMB-CGTJXYLNSA-N	301.361	3.230	10	20	DGCD	
CCCC[C@H](NCc1ccc(N(CC)CC)c(F)c1)C(=O)O	277163672	DLBGMFPODSXJMV-HNNXBMFYSA-N	310.413	3.405	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H](C)C2)cc1	363446863	PUKMVMVARCWDEC-CQSZACIVSA-N	312.413	3.203	10	20	DGCD	
Cc1ccc([C@@H](C)NCCc2cccc(C(N)=O)c2)c(O)c1C	273500969	QCQKYKUTXZVOLN-CQSZACIVSA-N	312.413	3.001	10	20	DGCD	
C[C@@H](NC[C@@H](O)CCc1ccccc1)c1ccc(F)c(F)c1O	276904120	JMNAULHAZZTKPP-OCCSQVGLSA-N	321.367	3.315	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCCn2ccnc2)cc1	271985513	PDLZOBDAXJUTGW-UHFFFAOYSA-N	300.450	3.251	10	20	DGCD	
CCCN(CC(F)F)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	385857240	FTZZTQUZCQLHPR-XQRVVYSFSA-N	314.288	3.174	10	20	DGCD	
CC1(C)CC[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	296298584	FYMKCPGKASACPT-HNNXBMFYSA-N	320.452	3.455	10	20	DGCD	
CC[C@H](NCCOC[C@@H]1CCOC1)c1cccc(Cl)c1O	806139565	PRPWBNZACDWTJE-DOMZBBRYSA-N	313.825	3.139	10	20	DGCD	
CCc1nc(C(C)C)ccc1C(=O)NCc1ccc(O)c(O)c1	293584974	CQBLBNVJBXXRNB-UHFFFAOYSA-N	314.385	3.109	10	20	DGCD	
C[C@H](NCc1nc(C2CC2)n[nH]1)c1ccc2ccccc2c1O	296312889	GKZFDUGOJDSFBP-NSHDSACASA-N	308.385	3.392	10	20	DGCD	
Cc1noc(CCCN[C@H](C)c2cc(Cl)cc(C)c2O)n1	808705217	BJNDRIVUUYRBGY-SNVBAGLBSA-N	309.797	3.329	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC(=O)N(C(C)C)C2)c1O	808707527	RHGMIQDQNVIJDE-WCQYABFASA-N	310.825	3.014	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C)cc1	294354788	USFAYMSWDIEHJX-YJBOKZPZSA-N	312.413	3.080	10	20	DGCD	
CC[C@H](C)CONC(=O)NCc1c(O)ccc2c1CCCC2	813824605	PMHCCPMWEJRXNN-LBPRGKRZSA-N	306.406	3.048	10	20	DGCD	
C[C@H]1C[C@@H](C)N(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817950215	WMUUANKRCBFGQX-NWDGAFQWSA-N	315.442	3.187	10	20	DGCD	
CCC(CC)(CNC/C=C\c1ccc(N(C)C)cc1)C(=O)O	818629991	OZAYJEGIKREKPL-FPLPWBNLSA-N	304.434	3.246	10	20	DGCD	
COc1ccc(OC)c(NC(=S)NNc2cccc(F)c2)c1	726478044	FJBMWAFLFVYKPX-UHFFFAOYSA-N	321.377	3.156	10	20	DGCD	
CCN(Cc1nc(C(F)F)no1)c1ccc(OC)c(OC)c1	822711259	CYWWJXGUXHZINC-UHFFFAOYSA-N	313.304	3.051	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cccc(Cl)c1O	827751352	TXMJYQKVVMEWQK-CJNGLKHVSA-N	311.809	3.257	10	20	DGCD	
CCOc1ccc(CNCCCc2ncccc2C)c(O)c1	824783904	WUVQOLJHWVNORP-UHFFFAOYSA-N	300.402	3.217	10	20	DGCD	
C/C(=C/C(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1	824676227	GJLPXXCGCKCORN-KAMYIIQDSA-N	310.397	3.382	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)c2ccc(C)s2)c1O	745738943	XCVUGZFUFCFKSY-NSHDSACASA-N	320.414	3.331	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC([C@@H]2CCCNC2)CC1	849350504	OQDIMGZSTFRRFT-CQSZACIVSA-N	308.853	3.257	10	20	DGCD	
Oc1c(Cl)cccc1CNc1ccc2c(c1)CNCCO2	841081795	FWGATCQDPYZRNW-UHFFFAOYSA-N	304.777	3.140	10	20	DGCD	
Oc1ccccc1CN1CCNC[C@H]1c1ccccc1Cl	843115461	FJQPZQRBCWQYJI-INIZCTEOSA-N	302.805	3.192	10	20	DGCD	
Nc1ccc(Cc2nc(Cc3ccc4c(c3)CCC4)no2)cc1	843213396	VFVCCNODMGPPQX-UHFFFAOYSA-N	305.381	3.322	10	20	DGCD	
COc1cccc(O)c1CNC[C@H](C(=O)OC(C)(C)C)C(C)C	848565991	OUUSVWCNUXQVFU-ZDUSSCGKSA-N	323.433	3.104	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c2ncccc12	748724490	DGEVHAZORRJBOT-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@@H]2CC(=O)N(C3CC3)C2)c1O	846207092	YIZXMKBKLVWJGQ-NEPJUHHUSA-N	322.836	3.016	10	20	DGCD	
COc1cccc([C@H](C)NCCCc2cccc(C)n2)c1O	846172928	PPFDTADFMOTXLP-AWEZNQCLSA-N	300.402	3.388	10	20	DGCD	
COc1ccc(CNCCc2nc3c(s2)CCC3)cc1C	922717765	LARMDHFIWJBGAI-UHFFFAOYSA-N	302.443	3.281	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCC2CCC2)c1	852584956	VLQGVDFBVQPKKB-GFCCVEGCSA-N	306.406	3.341	10	20	DGCD	
C[C@H](NC[C@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1O	756771332	VKXKXBDQAWILPS-BBATYDOGSA-N	319.351	3.155	10	20	DGCD	
O[C@@H](CNc1ccc(Nc2ccccc2)cc1)CN1CCCC1	863558325	ZHZHXOMMUSLXCG-IBGZPJMESA-N	311.429	3.299	10	20	DGCD	
Oc1cccc(Cl)c1CNc1nnc([C@@H]2CCCO2)s1	865296165	RINAIWWYDALWDH-NSHDSACASA-N	311.794	3.361	10	20	DGCD	
CC[C@H](NC[C@H](CO)Cc1ccco1)c1ccc(N(C)C)cc1	768840608	GEYFIHMLWAIKQU-BEFAXECRSA-N	316.445	3.238	10	20	DGCD	
CCOc1ccc(O)c(CN2CCN(C)c3ccccc3C2)c1	769320705	URPJQRBTJKGLGM-UHFFFAOYSA-N	312.413	3.243	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(C)nn1	767339702	STYGSHNOLYUBIP-UHFFFAOYSA-N	324.428	3.014	10	20	DGCD	
COc1ccc(F)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773019320	KKKJQCRFLYYUAL-LBPRGKRZSA-N	316.376	3.391	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccc1N(C)C	776165479	RCMWUXTUHJCPNL-KBAYOESNSA-N	302.462	3.354	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCCc2ccccc21	779512227	OVZLICVTWNKHNA-PKNBQFBNSA-N	309.365	3.481	10	20	DGCD	
CC[C@@H](C)n1nc(C(=O)N(C)Cc2ccccc2O)cc1C	778324067	BMHRISJJOQUNDB-GFCCVEGCSA-N	301.390	3.140	10	20	DGCD	
CN(C(=O)CC[C@@H](N)CC1CCCCC1)c1ccc(N)cc1	877076232	OPZUOGBSHQAGPM-MRXNPFEDSA-N	303.450	3.310	10	20	DGCD	
CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cccc(F)c1O	778519607	JHRFUJRNVRYESC-CQSZACIVSA-N	306.724	3.381	10	20	DGCD	
CO[C@@H]1CCC[C@@H]1CNCc1cccc(Br)c1O	774832148	JGTLXNSDBPSTSP-ZWNOBZJWSA-N	314.223	3.059	10	20	DGCD	
C[C@H](NC(=O)NC[C@@H]1Cc2ccccc21)c1ccc(N(C)C)cc1	773614268	SUQRUIGSCUVFQD-YOEHRIQHSA-N	323.440	3.453	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCc1cnns1	779251377	FDGWAXLUROEKMM-UHFFFAOYSA-N	319.411	3.364	10	20	DGCD	
Cc1cccc(C[C@@H](CO)N[C@@H](C)c2c(O)cccc2F)c1	886596536	HOCDMLQXECUSJM-ZFWWWQNUSA-N	303.377	3.094	10	20	DGCD	
CCOCOc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1	783590338	CIEZYKFKNOZCCN-UHFFFAOYSA-N	315.369	3.425	10	20	DGCD	
C[C@H](NC[C@H]1CCC=CO1)c1ccc(N2CCOCC2)c(F)c1	783302615	FPJXRZWSQBHEBI-GOEBONIOSA-N	320.408	3.006	10	20	DGCD	
CC(C)(C)c1cc(CN[C@H]2CCOC2=O)c(O)c(C(C)(C)C)c1	895798880	KOKKZPCCBPMGIX-HNNXBMFYSA-N	319.445	3.392	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1O	894783189	QLUZFGINYBUTBT-HNNXBMFYSA-N	315.417	3.386	10	20	DGCD	
CCOc1ccc(N2CCN(CCC3CCOCC3)CC2)cc1	1202683238	BPXLIFBGUZAEEX-UHFFFAOYSA-N	318.461	3.024	10	20	DGCD	
CN(C)c1ccc(CNc2ccc3c(c2F)CCNC3)cc1F	1578426152	WBUSZAUSRGBQHI-UHFFFAOYSA-N	317.383	3.289	10	20	DGCD	
CCN1CCc2cc(CN[C@H](C)CCCCC(=O)O)ccc21	1776884636	BHHDGKDDYMRDFV-CQSZACIVSA-N	304.434	3.192	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1cccs1)c1ccc(N(C)C)cc1	156919068	WGALZBIZFYVCBS-DYVFJYSZSA-N	304.459	3.372	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3c(s2)CCCC3)c1	114542299	BNZBBRDTVBJKEI-UHFFFAOYSA-N	317.410	3.271	10	20	DGCD	
Oc1ccccc1CN(CCc1ccccn1)C[C@H]1CCCO1	111232946	MZFNTZPHFUWAEA-GOSISDBHSA-N	312.413	3.011	10	20	DGCD	
CCC[C@]1(CO)CCN(Cc2ccc(N3CCCC3)cc2)C1	1261185051	DEANCDQOACGICH-IBGZPJMESA-N	302.462	3.271	10	20	DGCD	
Cc1cccc(CNC[C@@H](c2ccco2)N2CCCC2)c1O	181523805	OMKWDYPFEOSQGY-INIZCTEOSA-N	300.402	3.220	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc3c2CCC3)cc1F	195738801	JMEMFTAPWZXQLL-UHFFFAOYSA-N	312.388	3.310	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCS[C@H]2COCC[C@@H]21	131092134	CXAGUQVBVCYKAE-WMZOPIPTSA-N	315.438	3.252	10	20	DGCD	
C[C@H](CN(C)Cc1ccccc1)NCc1cc(F)ccc1O	381075803	RAFZWXORZUEIDM-CQSZACIVSA-N	302.393	3.141	10	20	DGCD	
Cc1cc(C)nc(NCc2ccc(N3CCSCC3)cc2)n1	97476802	MYADWIJFDPFDRO-UHFFFAOYSA-N	314.458	3.259	10	20	DGCD	
CCc1ccc([C@H]2COCCN2Cc2ccc(N(C)C)cc2)o1	93459164	PHQDCSAIWADCBU-GOSISDBHSA-N	314.429	3.482	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H](C)C1CCNCC1	236732365	PGCVHIGVSSPKSZ-HNNXBMFYSA-N	318.461	3.157	10	20	DGCD	
Cn1ncc(Sc2ncc(C(C)(C)C)s2)c(Cl)c1=O	268328677	PFDMBDGAYRNBKG-UHFFFAOYSA-N	315.851	3.339	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccc(Br)cc1O	273604561	SUQBKEJURMUDLZ-DCAQKATOSA-N	314.223	3.230	10	20	DGCD	
C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)c1ccco1	625916005	GRYJMAYHJAZIIU-CYBMUJFWSA-N	314.385	3.265	10	20	DGCD	
Cc1cc(C)cc([C@H](O)CNCc2ccc(N(C)C)c(F)c2)c1	800897475	ZEKXGIGZVCAYIW-LJQANCHMSA-N	316.420	3.332	10	20	DGCD	
CSC[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O	805134738	HQKBMWKXZWVWGW-ZETCQYMHSA-N	323.245	3.250	10	20	DGCD	
CCCCN(CC(=O)N1CCCC[C@@H]1C)Cc1ccccc1O	801596599	HBBKODSTUHLODI-INIZCTEOSA-N	318.461	3.395	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1	296353153	IKVLGHKHPZECKN-GJZGRUSLSA-N	318.461	3.375	10	20	DGCD	
Oc1ccc(F)cc1CN1CCCN2c3ccccc3C[C@H]2C1	811512828	LMDXVNLNMBBBDR-KRWDZBQOSA-N	312.388	3.168	10	20	DGCD	
CC(C)[C@@H](O)C(C)(C)CNCc1cc(Cl)c(F)cc1O	816559667	QVWGIFFRWWJAQL-CQSZACIVSA-N	303.805	3.317	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1c[nH]ccc1=O	729365955	AITJZFFTEQBEPR-UHFFFAOYSA-N	313.382	3.096	10	20	DGCD	
CCN(C)C(=O)CN(Cc1cccs1)c1ccc(OC)cc1	727140129	VTAWYASOGNTJHL-UHFFFAOYSA-N	318.442	3.242	10	20	DGCD	
OCC1([C@H](NCc2ccccc2O)c2cccs2)CCC1	825311282	IBIDWYXAZNMTDN-MRXNPFEDSA-N	303.427	3.447	10	20	DGCD	
CC[C@@H](C)[C@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)OC	824597321	QXLUIFOZTGKXJY-RNCFNFMXSA-N	316.785	3.105	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](c3ccncc3)C2)c1O	821272778	YQTBFOOFVAENJC-AWEZNQCLSA-N	314.360	3.118	10	20	DGCD	
CCC[C@@H](C)C[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	904003552	JKJYBSYOKQCOFK-RNCFNFMXSA-N	301.333	3.040	10	20	DGCD	
Nc1ccc(CC(=O)NCc2ccccc2N2CCCCC2)cc1	831528278	NMOKJDCUZLERAB-UHFFFAOYSA-N	323.440	3.118	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@@H]1CCc2cccc(O)c21	834761965	WLKBWKVIZWWGOX-GDBMZVCRSA-N	301.386	3.210	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@@]2(C)CCCCO2)C2CC2)cc1	839238508	IXWIOPAKBVRQCG-LJQANCHMSA-N	316.445	3.203	10	20	DGCD	
Cc1cc(Br)c(O)c(CNC[C@H]2CC[C@@H](C)O2)c1	835086092	FBIKOAMCXAAVSR-ZYHUDNBSSA-N	314.223	3.120	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cn2ccc3ccccc32)cc1	918280526	YUSKWKXSXFJWJH-UHFFFAOYSA-N	307.397	3.024	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](Cc2ccccc2)OC)c1O	846170991	QELUIJLZQXRHIE-GOEBONIOSA-N	315.413	3.309	10	20	DGCD	
C[C@H]1CN(c2ccc(CN[C@@H](C)C3CC3)cc2F)C[C@@H](C)O1	749125820	HQBQVGBRTMAJFM-MJBXVCDLSA-N	306.425	3.327	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC(OC3CCC3)CC2)c1	841888503	JPRPKEZVCMPJFX-UHFFFAOYSA-N	305.418	3.324	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](c2ccsc2)N(C)C)c1O	846138219	ZLRBYJOXGCXMBS-SWLSCSKDSA-N	320.458	3.416	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(CCNC)CC2)cc1	843057868	WCIYGMMKQZVDRU-UHFFFAOYSA-N	303.494	3.354	10	20	DGCD	
CC[C@@H](N[C@@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1O	840826416	KXYQHRPYXWXZCJ-UPJWGTAASA-N	320.216	3.154	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1nccn1C	840894448	RNZAYKYOJDFWHE-GJZGRUSLSA-N	300.450	3.076	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H](C(=O)O)[C@@H](c3ccccc3)C2)cc1	846289157	MSGZQLNALBPZRJ-RTBURBONSA-N	324.424	3.053	10	20	DGCD	
Cc1cccc(CN[C@@H]2CNCC[C@@H]2c2cccc(F)c2)c1O	849350329	XXSFSOCVBVSBQY-QZTJIDSGSA-N	314.404	3.075	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](O)c2cccc(C)c2)c1O	846156605	NHSIUHCISVCJGD-CZUORRHYSA-N	301.386	3.093	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC(C)(C)N	843486082	PALHNCSNKMEMQT-UHFFFAOYSA-N	305.466	3.007	10	20	DGCD	
OCC[C@@H](NCc1ccc2c(c1)CCCO2)c1cccs1	921771074	PFUXAANGTLIPTJ-OAHLLOKOSA-N	303.427	3.286	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(C)ccc1O	756711485	LIRBZSWNJWOPHT-XJKSGUPXSA-N	301.386	3.093	10	20	DGCD	
Cc1cc(O)c(CNCC2CCN(CC3CC3)CC2)cc1C	850420076	LKXUUSWEQQPJFB-UHFFFAOYSA-N	302.462	3.221	10	20	DGCD	
CC(C)CSCCCOC(=O)/C=C/c1ccc(O)c(O)c1	759579772	OKMREMVURNHNAN-FNORWQNLSA-N	310.415	3.434	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)c1	858331992	DNCRUNARVWNDON-HOCLYGCPSA-N	320.433	3.094	10	20	DGCD	
Cc1cc(CNCc2cc(-c3ccccc3)ccc2O)ncn1	756991451	SJQOSUQUQKVKFM-UHFFFAOYSA-N	305.381	3.447	10	20	DGCD	
CCSC1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	852261765	VGSLGEMEKFZYSA-CYBMUJFWSA-N	321.490	3.399	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H](C)C2)cc1	859048462	KGMRSDRYPSZOMB-CQSZACIVSA-N	324.424	3.318	10	20	DGCD	
CC(C)N1CCC(CCN[C@H]2CCc3cccc(O)c32)CC1	866468257	DFBBMQFVZBYYCB-KRWDZBQOSA-N	302.462	3.480	10	20	DGCD	
COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(C)c(C)cc1O	769421419	BQHFGKSXIJHKTA-SFHVURJKSA-N	313.397	3.355	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1C[C@@H]1Cc1ccccc1)c1ccccc1O	868309317	UBJPAHOYOYCGHS-KMFMINBZSA-N	310.397	3.384	10	20	DGCD	
Cc1ccc(C(=O)NCc2c(C)oc3ccccc23)c(O)c1O	768653456	GEUYGLOWLAVJPF-UHFFFAOYSA-N	311.337	3.391	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCCN3C)C2)cc1	773766314	RPJPIWSXUTVAEO-PKOBYXMFSA-N	301.478	3.059	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21)c1ccccc1O	875401557	BXQOJAITHZMJRW-BYIJLXJXSA-N	322.408	3.481	10	20	DGCD	
CCC(C)(C)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775410240	KLCGYIYWUGTZDX-KBPBESRZSA-N	305.466	3.097	10	20	DGCD	
CCC[C@](C)(O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	770753922	LGVFEKYFUUWQCS-IBGZPJMESA-N	318.461	3.186	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(F)F)cc1	773739521	BDNJGXCEVHEFCY-JTQLQIEISA-N	321.323	3.396	10	20	DGCD	
C[C@H](C[C@H](O)c1cccs1)NCc1cc(F)cc(F)c1O	883079619	YMXXLJDSTMAOSX-RNCFNFMXSA-N	313.369	3.334	10	20	DGCD	
CN(C)c1ccc(CN2CCC(=O)N(C)c3ccccc32)cc1	785754375	ASLHXOBNQNRGGJ-UHFFFAOYSA-N	309.413	3.126	10	20	DGCD	
C[C@@H](C[C@H](O)c1ccccc1)NCc1cc(F)cc(F)c1O	883079491	VTHGHLNFPXBRJP-ZBEGNZNMSA-N	307.340	3.272	10	20	DGCD	
COc1cc(CNCc2cc(C)cc(OC)c2O)ccc1C	894205669	ALFQWQVPQAYPDZ-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
COCC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCC1	785982582	OEYWSCHZWLSJRO-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@H](C)NC(=O)CC2CC2)cc1C	1133482045	KGYKLJYVGGYEIS-CABCVRRESA-N	318.461	3.177	10	20	DGCD	
CC[C@H](NCC1CCN(C(=O)OC)CC1)c1ccc(C)cc1O	797094799	YOUMGCIRPSOVDL-INIZCTEOSA-N	320.433	3.220	10	20	DGCD	
C[C@@H](CN[C@H](C)c1ccc(F)cc1O)NC(=O)OC(C)(C)C	192689083	IAXFMPLXHXSMSP-WDEREUQCSA-N	312.385	3.095	10	20	DGCD	
O=C(COCC1CCCC1)Nc1c(Cl)ccc2nonc12	1325785244	ABFMKWQHFGUSEM-UHFFFAOYSA-N	309.753	3.022	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(Cn2cccc2)cc1	1326711838	PRJFXIHIYSORFT-UHFFFAOYSA-N	306.365	3.172	10	20	DGCD	
C[C@H](N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C	1324725237	RNQDUQQRTOGRNL-HNNXBMFYSA-N	321.484	3.444	10	20	DGCD	
CCOCCC1(CNC(=O)NCc2ccc(N)cc2)CCCC1	1335540423	OUIXMQGVVBYZMW-UHFFFAOYSA-N	319.449	3.055	10	20	DGCD	
CC[C@H](O)CCN[C@@H](CC)c1cc(Br)ccc1O	119246851	AMYGWNCQHJWMFY-AAEUAGOBSA-N	316.239	3.356	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc([S@@](C)=O)cc1	155187291	OQVAQMAIVJGPAN-QFIPXVFZSA-N	316.470	3.122	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(Br)cc2O)C[C@H](C)O1	708351416	XQCQPQMPBCZSGM-GWCFXTLKSA-N	314.223	3.154	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)c1cccc(O)c1	112457638	OYNSECWEWZLYEJ-LBPRGKRZSA-N	300.358	3.000	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC[C@@H](C)N2CCCCC2)c1	186545763	ZACDAZUGMJXWDO-HUUCEWRRSA-N	306.450	3.316	10	20	DGCD	
CO[C@]1(CN[C@@H](C)c2ccc3ccccc3c2O)CCOC1	317882187	UNJJBKUEVQSFTF-UGSOOPFHSA-N	301.386	3.002	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCc1ncc(C(C)(C)C)o1	186961555	ZTGCORCMGWNIHC-UHFFFAOYSA-N	316.401	3.269	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCCCn2cccn2)c1	182412478	LVXAQKKUIDODMD-AWEZNQCLSA-N	303.406	3.118	10	20	DGCD	
CCC(=CC(=O)N1CCCN(c2ccc(OC)cc2)CC1)CC	123079162	IBAMFQPDXWXLSG-UHFFFAOYSA-N	316.445	3.480	10	20	DGCD	
Nc1ccc(CCNC2CCN(Cc3ccccc3)CC2)cc1	71428885	CQBZSHQYDKQEFX-UHFFFAOYSA-N	309.457	3.066	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cc(Br)ccc1O)C1CC1	186153281	FGDLGOBYRIOJIX-ZANVPECISA-N	314.223	3.230	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](CO)Cc1ccccc1	320934941	RZZMOPOJTCGOSW-DJIMGWMZSA-N	311.425	3.442	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1	262359851	WFZXGJOHMWGKFC-ZIAGYGMSSA-N	314.351	3.296	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1c1ccccc1	365506407	HSHOUSASRQRYMN-QGZVFWFLSA-N	310.397	3.020	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1c1ccco1	363096511	WQQUETGQAHUFKD-IAGOWNOFSA-N	310.397	3.300	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](N3CCCC3)[C@@H]2C)c1O	289915121	VHVRPNVRUQAKPW-WFASDCNBSA-N	324.852	3.113	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)c1cccc(F)c1	808095367	YXMRDOVORUWGID-LBPRGKRZSA-N	322.376	3.437	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)C2)c1O	385827271	ZFSADMWYKZUIIY-JTQLQIEISA-N	305.271	3.118	10	20	DGCD	
CCOc1ccc(N(CC)Cc2ncnn2C(C)(C)C)cc1	801521333	GPOHDUFYXKQQIG-UHFFFAOYSA-N	302.422	3.458	10	20	DGCD	
OCCc1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1	806670718	NBZMFOJKBHBEID-UHFFFAOYSA-N	313.184	3.241	10	20	DGCD	
CCC[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819583702	ZCINYRDAAXMHTA-GJZGRUSLSA-N	304.434	3.074	10	20	DGCD	
CC(/C=C1/C(=O)NN(c2ccccc2)C1=O)=C\c1ccccc1	728696738	BPZSSABPRQNAQV-PZAFVPBJSA-N	304.349	3.094	10	20	DGCD	
C[C@H](OCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1O	827952257	LMWTWNAAXRZUNV-OLZOCXBDSA-N	317.360	3.314	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1C(F)(F)F)CC(C)(C)CO	824635647	IYDVQPVYZZCQJO-UHFFFAOYSA-N	318.383	3.222	10	20	DGCD	
COc1ccc(CN[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1C	824949411	YCBDHSBKNKXZPC-IEBWSBKVSA-N	312.413	3.409	10	20	DGCD	
COc1cc(Cl)cc(CN(C)[C@H](CO)CC(C)(C)C)c1O	825041024	YZJVPIMOPQKTKA-ZDUSSCGKSA-N	315.841	3.283	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c1	734070139	CFBDDOPICCKMBJ-UKRRQHHQSA-N	320.433	3.415	10	20	DGCD	
CCOc1ccc(OCCOC(=O)c2cc(O)cs2)cc1	732353810	WLGFBHNQCFDQDQ-UHFFFAOYSA-N	308.355	3.088	10	20	DGCD	
CCc1csc(NC(=O)NCc2ccc(N(C)C)cc2C)n1	743224351	HJXICBVNEARGRL-UHFFFAOYSA-N	318.446	3.402	10	20	DGCD	
Cc1cc(C(=O)NCc2ccccc2O)c(C)n1-c1ccccn1	748346504	ZBPVSBOGJNZPEV-UHFFFAOYSA-N	321.380	3.125	10	20	DGCD	
COc1cccc([C@H](C)NC2CCN(C3CCCC3)CC2)c1O	846150549	RHOMSUINENZHIZ-AWEZNQCLSA-N	318.461	3.458	10	20	DGCD	
COc1cccc(CNCc2cnc(C)n2-c2ccccc2)c1O	742709450	GNHQJBJUSQFBTQ-UHFFFAOYSA-N	323.396	3.185	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@](C)(O)C(C)C)cc1	743713090	RBMPGKADBZOIED-LJQANCHMSA-N	314.429	3.231	10	20	DGCD	
CCc1cccc(CN[C@H]2CCO[C@]3(CCSC3)C2)c1O	848898402	BTBCOUOEEMRLIW-DOTOQJQBSA-N	307.459	3.099	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC([C@H]2CCCN2)CC1	843046655	YAUCBILNYDGJSE-CQSZACIVSA-N	312.816	3.149	10	20	DGCD	
CC[C@@H](C)n1nc(-c2nc(Cc3ccc(N)cc3)no2)cc1C	843160653	ZKTMOURXUAKCIP-LLVKDONJSA-N	311.389	3.386	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C=CCC3)ccc21	855423105	DVYIGLYSNXMBNN-INIZCTEOSA-N	312.413	3.353	10	20	DGCD	
CCOC(=O)c1cnc(Sc2ncc(Cl)s2)nc1C	853964021	FYSONDRPCAAQBS-UHFFFAOYSA-N	315.807	3.223	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1	858331981	DNCRUNARVWNDON-GDBMZVCRSA-N	320.433	3.094	10	20	DGCD	
C[C@H](NC[C@@H](O)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1O	850574645	ZXQDAALQVVJWIR-NVGCLXPQSA-N	321.367	3.486	10	20	DGCD	
CC(C)[C@H](O)C(C)(C)CN[C@@H](C)c1cc(F)cc(F)c1O	756768977	CGQRPFFYBUEEQF-BONVTDFDSA-N	301.377	3.364	10	20	DGCD	
CC(C)[C@@H](O)C1(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1	756792203	ZWWGUFCLFNUFQF-BTJLNZGRSA-N	307.409	3.466	10	20	DGCD	
CCC[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)OCC	858684288	RLRYVLXHQPMHFJ-QGZVFWFLSA-N	321.465	3.099	10	20	DGCD	
COc1cccc(CN2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)c1O	768913684	PGUJOTPLZKHFEI-HLLBOEOZSA-N	318.461	3.238	10	20	DGCD	
OC[C@H]1C[C@@H](N[C@@H](CCc2ccccc2)c2ccccc2O)C1	866416451	WLHZELPKWCVODX-SCTDSRPQSA-N	311.425	3.427	10	20	DGCD	
CCC[C@H](C)NC(=O)NCc1cccc(Br)c1O	764758662	SGECHLNRDHEWNE-VIFPVBQESA-N	315.211	3.143	10	20	DGCD	
CC1(NC(=O)NCCc2ccc(N)cc2)CCC(F)(F)CC1	861642074	ZSPOGMYWAAGFMX-UHFFFAOYSA-N	311.376	3.079	10	20	DGCD	
O=C1COc2c(NCc3ccc(N4CCCC4)cc3)cccc2N1	1117631012	ITBCINIPBQUFCX-UHFFFAOYSA-N	323.396	3.230	10	20	DGCD	
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2c(C)cccc2O)C1	876658287	RRQAOKASFWLAEY-HZPDHXFCSA-N	318.461	3.217	10	20	DGCD	
CO[C@@H]1CCC[C@H]1CNCc1cc(Br)ccc1O	774833915	WNAKWHATCWDBOS-IINYFYTJSA-N	314.223	3.059	10	20	DGCD	
CCN(C)c1ccc(CN2CCc3ccccc3[C@@H]2CO)cc1	773773736	AICOAJDUAHGZKL-FQEVSTJZSA-N	310.441	3.234	10	20	DGCD	
CCN(CCNCc1c(C)cccc1O)CCC(F)(F)F	877474988	BKWDLILIQDFEGO-UHFFFAOYSA-N	304.356	3.065	10	20	DGCD	
COCc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	772998252	XGLQDKFHMHDHID-AWEZNQCLSA-N	312.413	3.390	10	20	DGCD	
C[C@@H]1CC[C@H](C(=O)O)C[C@@H]1NCc1c(O)ccc(Cl)c1F	871880773	YAMVKKWRKBSFIC-PTRXPTGYSA-N	315.772	3.164	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CCC[C@H](OC)C3)CC2)cc1	773083159	KOQDNMQLPKKTBG-LPHOPBHVSA-N	318.461	3.211	10	20	DGCD	
Cc1cccc(CN2CCC[C@@H](OCC(F)(F)F)C2)c1O	775654202	IGPJVJPXORXTFR-CYBMUJFWSA-N	303.324	3.244	10	20	DGCD	
C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1c(O)cccc1F	886497014	OMNVTMQAALMNCB-LBPRGKRZSA-N	316.376	3.084	10	20	DGCD	
C[C@H]1[C@H](C)N(Cc2ccc(N3CCCCC3)cc2)CCN1C	775986218	PYYNKKTYMBBSCS-IRXDYDNUSA-N	301.478	3.201	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc(Cl)c2O)cc1F	775679614	NPJIPFUEHHIQRH-UHFFFAOYSA-N	322.767	3.181	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@H](C)c2c(O)cccc2F)s1	886629537	HRWDXTVXBZMKQD-BDAKNGLRSA-N	324.377	3.186	10	20	DGCD	
O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1O	784789180	ZLKLXTLIVABCNK-UHFFFAOYSA-N	323.688	3.016	10	20	DGCD	
COc1ccc(CN[C@H](c2cnn(C)c2)C(F)(F)F)cc1C	783671072	DKYBZKKGNJNQCG-CQSZACIVSA-N	313.323	3.130	10	20	DGCD	
CC[C@@H](C(=O)NCc1ccc(OC)cc1O)c1ccc(F)cc1	794381230	NCWKMYMUTARNJN-MRXNPFEDSA-N	317.360	3.350	10	20	DGCD	
COC1CCC(NCc2cc(Br)ccc2O)CC1	703828216	ZVLXESJZQFINAB-UHFFFAOYSA-N	314.223	3.202	10	20	DGCD	
COc1ccc(CNc2cc(Cl)nc(C3CC3)n2)c(O)c1	795284981	OVPFXMXHTMGNSV-UHFFFAOYSA-N	305.765	3.334	10	20	DGCD	
CO[C@](C)(CNCc1c(O)cccc1Br)C1CC1	706885022	OFQQIVYYQMKHTH-CQSZACIVSA-N	314.223	3.059	10	20	DGCD	
COc1ccc(O)c(CNC[C@@H]2CCCN2C2CCCCC2)c1	798088123	HXHKDMZQJLTOJH-KRWDZBQOSA-N	318.461	3.288	10	20	DGCD	
Cc1ccc([C@H](C)NCCc2nc(C(C)C)no2)c(O)c1C	1320131158	DCIGOFBFHGDOLE-ZDUSSCGKSA-N	303.406	3.409	10	20	DGCD	
Cc1ccc(/C=C/C(=O)N(C)c2cccc3c2CCCN3)cn1	1335942333	YPUKEWRMDKIKQX-ZHACJKMWSA-N	307.397	3.424	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@H]1C[C@]12CCCc1ccccc12	1263894366	CWJLEDJOSMTJES-UZLBHIALSA-N	323.392	3.008	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC23CCCC3)c([N+](=O)[O-])c1	1601881319	QOXABLZDFVNJHK-GQCTYLIASA-N	302.330	3.216	10	20	DGCD	
Cc1cc(CN(C)c2ccc(OCC(=O)O)cc2)ccc1F	1600191013	VDPPFDNRAYHVQP-UHFFFAOYSA-N	303.333	3.234	10	20	DGCD	
CC(C)O[C@@H]1C[C@H](N[C@H](C)c2cc(C(=O)O)ccc2O)C1(C)C	1591695729	JNQOHXGHWZNAHJ-XFBWCDHKSA-N	321.417	3.333	10	20	DGCD	
C[C@@H]1CCC[C@]1(NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1776636688	ZYGZVNVOMZQTSU-XLKFXECMSA-N	318.200	3.432	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3nc(C)no3)c2C)c1	104292376	NTDDUEOSBSESMM-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
CS[C@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1	117393084	RIAWEWAMTIBCQQ-AEFFLSMTSA-N	320.502	3.287	10	20	DGCD	
Cc1ccc(F)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1	173193651	DNWTXVQLTSYGMY-UHFFFAOYSA-N	314.360	3.239	10	20	DGCD	
Cc1ccc([C@H](C)Nc2ccc(N3CCOCC3)cn2)c(O)c1	186251399	GXLSHRWMBBBWEE-AWEZNQCLSA-N	313.401	3.105	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@@H](C)c2cc(F)ccc2O)cc1	184916551	PURKTUOSKWWVEK-NSHDSACASA-N	302.349	3.341	10	20	DGCD	
O=C(COC1CCCCC1)NCc1c(O)ccc2c1CCCC2	75159763	FJJUWOGGENWHLO-UHFFFAOYSA-N	317.429	3.237	10	20	DGCD	
COc1ccc(OCCN[C@@H](C)c2cc(F)ccc2O)cc1	184903729	QGWUVARLIFMOKZ-LBPRGKRZSA-N	305.349	3.270	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccc(F)cc2)cc1	183799822	RXNIXSWZJOBWCV-UHFFFAOYSA-N	303.333	3.014	10	20	DGCD	
C[C@@H](NCc1cccc(CN(C)C)c1)c1ccc(F)cc1O	184936787	BWWGQLSKXPMMFP-CYBMUJFWSA-N	302.393	3.444	10	20	DGCD	
Cc1cc(Sc2nccs2)n2nc(C(F)(F)F)nc2n1	48894059	BGZJAXXKQARNQH-UHFFFAOYSA-N	317.321	3.059	10	20	DGCD	
CN(C)c1ccc(CN(C[C@@H](O)c2ccccc2)C2CC2)cc1	134065875	RFKRUBOQFCMALL-HXUWFJFHSA-N	310.441	3.451	10	20	DGCD	
CSCCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	132595920	XGOVOPCCCAORNP-CYBMUJFWSA-N	312.454	3.066	10	20	DGCD	
CC(C)CN1CCC(N[C@@H](C)c2ccc(F)c(F)c2O)CC1	191196915	BSACKPCYWVSUJJ-LBPRGKRZSA-N	312.404	3.441	10	20	DGCD	
CCN(Cc1cc(F)cc(C(C)=O)c1O)c1cccc(O)c1	191570751	YYTDZNDVIQWDOF-UHFFFAOYSA-N	303.333	3.466	10	20	DGCD	
Cc1cc(C(=O)N(C)[C@@H](C)CN)c(C)n1-c1ccc(Cl)cc1	237462817	LQOHLRLRSDHTPC-LBPRGKRZSA-N	319.836	3.167	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ncccc1C(F)(F)F	92500828	BSFNFQMIDVYDED-UHFFFAOYSA-N	310.275	3.078	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H](O)c1ccc(F)cc1)c1cc(F)ccc1O	248499029	MMCDUNGKCRKZNA-WVQJBOLRSA-N	307.340	3.443	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)Cc1cnnn1C	289372474	OMJYGDRGFOYMBI-OAHLLOKOSA-N	322.412	3.284	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2cc[nH]n2)c1O	285307518	HWHTVDDHVGXVSP-INIZCTEOSA-N	317.364	3.184	10	20	DGCD	
COc1cccc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)c1O	804424616	MLOBDXCFQUQXOX-UHFFFAOYSA-N	316.313	3.124	10	20	DGCD	
CCC(C)(C)N[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C	473275522	WRVKHZADHWMOFY-CQSZACIVSA-N	315.461	3.270	10	20	DGCD	
O=C1/C(=C/c2cnccn2)SC(=S)N1c1ccc(F)cc1	809151992	ACNNLPQDKLSGFL-GHXNOFRVSA-N	317.370	3.022	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)c2cnn(CC)c2)ccc1OC	294900266	RMSZNZLIFPPYSH-AWEZNQCLSA-N	317.433	3.299	10	20	DGCD	
CC[C@@H](CSC)N(C)Cc1ccc(N2CCOCC2)cc1	809767812	UYAGFUAUQVWIQB-INIZCTEOSA-N	308.491	3.097	10	20	DGCD	
CC[C@@H](N[C@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1O	806161952	PSUSJKMNNIKJIK-NOZJJQNGSA-N	321.812	3.169	10	20	DGCD	
Cc1cc(C(=O)N2CCC[C@@H]2CF)c(C)n1-c1ccccn1	294007663	IKNMHNZWMDCWAO-CQSZACIVSA-N	301.365	3.063	10	20	DGCD	
COc1cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)cc1C	811792391	OHTLQGPXFNAZAP-WMZOPIPTSA-N	317.429	3.243	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc3cnn(C)c3c2)c1	812736808	CXBUOVHJSGTNGM-GFCCVEGCSA-N	311.385	3.138	10	20	DGCD	
CC[C@H](C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819589946	UWIUFFBEHAKVGM-GJZGRUSLSA-N	304.434	3.074	10	20	DGCD	
CCCN(CC)C[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1O	810263507	OJCSKVUDFYVQDN-RYUDHWBXSA-N	300.393	3.441	10	20	DGCD	
COCC1(CCN[C@H](C)c2cc(C(=O)OC)ccc2O)CCC1	815642090	RJUDMKQRZMPFLU-CYBMUJFWSA-N	321.417	3.036	10	20	DGCD	
COc1ccc2c(c1)CN(Cc1cccc(Cl)c1O)CCO2	824910471	YAJNDGLXAWFUCY-UHFFFAOYSA-N	319.788	3.449	10	20	DGCD	
CC[C@H](Nc1ccc(O[C@@H]2CC(=O)N2)cc1)c1ccccc1O	825000051	VLTHWRNTCUNHLO-MAUKXSAKSA-N	312.369	3.180	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1CCN(C)c2ccc(F)cc21	588519079	BZMAYAXOIKCYMZ-WAYWQWQTSA-N	317.389	3.087	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CC2(C)C)cc1	732823436	UJIZWQOLOQKCCT-HNNXBMFYSA-N	303.450	3.378	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](F)C(F)(F)F	839922241	SJTGRBODORAACP-GXFFZTMASA-N	320.330	3.009	10	20	DGCD	
O=C(CC1CCCCC1)NCCN[C@H]1CCc2cccc(O)c21	834645782	MDKUFSRGXVMWKP-INIZCTEOSA-N	316.445	3.056	10	20	DGCD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	838485004	ALKLRBAFZDYHDU-PKOBYXMFSA-N	313.445	3.297	10	20	DGCD	
Cc1nccn1-c1ccc(CN[C@H]2CCc3cccc(O)c32)cn1	834523463	UQKCVOUYCXXSTE-INIZCTEOSA-N	320.396	3.058	10	20	DGCD	
CCOCc1cc(CNCC[C@H]2C[C@H]3CC[C@H]2O3)ccc1OC	839164415	RZHUXEJYYWDIGB-KVSKMBFKSA-N	319.445	3.279	10	20	DGCD	
Cc1ccc([C@@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)o1	742496160	VWPXNEDRCKLKOL-CQSZACIVSA-N	300.402	3.416	10	20	DGCD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1cc(Cl)ccc1O	846473511	MRACJDBYJYPNHH-BXUZGUMPSA-N	313.825	3.239	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)C[C@@H]1CCOC1	840893520	KHSBBZAMPSWITN-ULQDDVLXSA-N	304.478	3.397	10	20	DGCD	
COc1ccc(OC)c(CN2CCCc3cc(CN)ccc32)c1	843057486	OZLNIMGVPFOVHW-UHFFFAOYSA-N	312.413	3.115	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1	841954725	OMBFHOXTCSPWHW-GOSISDBHSA-N	323.440	3.086	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(C)(C)C)on2)c1	743335122	MWTSQPXNQOVOAG-SNVBAGLBSA-N	318.373	3.177	10	20	DGCD	
COc1cccc([C@@H](C)NCCCc2ncccc2C)c1O	846170026	UVPCWNGHFPHVIL-CQSZACIVSA-N	300.402	3.388	10	20	DGCD	
Oc1c(F)cccc1CN1CCNC[C@@H]1c1cccc(Cl)c1	843113671	ATBPVYHILMHMCR-MRXNPFEDSA-N	320.795	3.331	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNc1ccc2c(c1)CCCN2	841034404	AEUQMFMXHIEGDZ-UHFFFAOYSA-N	323.440	3.493	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ccc(F)nc1	840975373	GNRJIMHYACMWSP-CQSZACIVSA-N	301.409	3.316	10	20	DGCD	
C[C@H](NCCCNc1ncccn1)c1ccc2ccccc2c1O	756643123	ROIOGIUQAAZBMF-AWEZNQCLSA-N	322.412	3.488	10	20	DGCD	
COc1cc(C)ccc1CNC(=O)NCc1cc(C)ccc1O	858294591	JPGGGJVMWMVUSW-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
C[C@@H](NC(=O)[C@H](C)c1cccc(O)c1)c1ccc(N(C)C)cc1	935465836	UFANMQWCVMZQRC-ZIAGYGMSSA-N	312.413	3.439	10	20	DGCD	
Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)CO2	756760390	ONSHIRXUYFIQDY-ABAIWWIYSA-N	314.341	3.393	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(C=O)s1)c1ccc(N(C)C)cc1	867503322	JWECGWMVCXRJCE-LLVKDONJSA-N	302.399	3.118	10	20	DGCD	
Fc1cc(CN2CCC[C@@H]2C2CC2)ccc1N1CCOCC1	769329484	LVTROELRDHIAQH-QGZVFWFLSA-N	304.409	3.037	10	20	DGCD	
CC[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccccc1O	775414088	KWYIIADDHDZJAW-QGZVFWFLSA-N	312.413	3.335	10	20	DGCD	
CC[C@H](NCc1cc(F)cc(C(C)=O)c1O)C1CCOCC1	776029037	UTISJPQFNYYKIO-INIZCTEOSA-N	309.381	3.029	10	20	DGCD	
Cc1cccc([C@@H](O)CNCc2cc(F)c(N(C)C)cc2F)c1	1118853167	YABQYMLHUPILIG-SFHVURJKSA-N	320.383	3.162	10	20	DGCD	
CC(C)(C)OC(=O)NCC1(CNCc2ccccc2O)CCC1	876995273	DAZNTZDWUYETNZ-UHFFFAOYSA-N	320.433	3.177	10	20	DGCD	
CCN(CCC1CC1)Cc1ccc(N2CCN(C)CC2)c(F)c1	1116583616	LVQRLTHLJLDRJH-UHFFFAOYSA-N	319.468	3.200	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H]1CCCCN1C1CC1	775157872	KXGJWKQZHNWIPD-AWEZNQCLSA-N	312.816	3.291	10	20	DGCD	
C[C@H](NC(=O)COCc1ccccc1)c1ccc(N(C)C)cc1	773017249	DIDKRQDWKFPDFH-HNNXBMFYSA-N	312.413	3.147	10	20	DGCD	
CCOc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1OC	780778965	YWGKEJVEJCKIJC-UHFFFAOYSA-N	315.369	3.459	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1	882706752	ZGXNAYKRMNYEQW-ZBFHGGJFSA-N	321.373	3.138	10	20	DGCD	
COCCC[C@H](Cc1ccccc1)NC(=O)c1cc(O)cs1	792668154	COEGMULHDLBMQJ-CQSZACIVSA-N	319.426	3.221	10	20	DGCD	
Cc1ccc(C(=O)N[C@H]2CCCc3ccc(F)cc32)c(O)c1O	794058876	JBZDQJVVKUTRNP-HNNXBMFYSA-N	315.344	3.353	10	20	DGCD	
CCOC1CC2(CCN(Cc3c(O)ccc4ccncc34)C2)C1	795720056	IDTCLQHSUPAZHF-UHFFFAOYSA-N	312.413	3.331	10	20	DGCD	
CC[C@H](NCCCN1CCCCC1=O)c1ccc(C)cc1O	794809907	RUOWIXPCXCOIEU-INIZCTEOSA-N	304.434	3.144	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)c(O)c1	794390715	PAADDLNATIMAOX-LBPRGKRZSA-N	317.360	3.035	10	20	DGCD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)c1cc(O)cs1)CCC2	1329211774	ZBTAQGHMQJROTM-LBPRGKRZSA-N	305.403	3.039	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCCC(=O)O	1605262428	IKUATBBZHJWOJO-UHFFFAOYSA-N	320.414	3.092	10	20	DGCD	
C[C@H](N[C@H](C(=O)O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	1593196123	UPSFOMBRINCKIB-SJCJKPOMSA-N	316.376	3.368	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)C2CCCC2)cc1F	1776860454	IRECOJQJGOCOPS-KRWDZBQOSA-N	322.424	3.405	10	20	DGCD	
CCOC(=O)C[C@@H]1CCCN1Cc1c(O)ccc2ccccc12	165048269	YNCATTKFEWRDBZ-HNNXBMFYSA-N	313.397	3.463	10	20	DGCD	
Oc1ccc(Br)cc1CNCCC1CCOCC1	310641068	TWGSYXMPGYGPCG-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
Cc1ccnc(NCc2ccc(N(C)C)c(F)c2)c1[N+](=O)[O-]	301302557	RYQQXTMRTXEDAZ-UHFFFAOYSA-N	304.325	3.115	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)c1c(C)noc1C	115281320	AAOZEVKXXHMBLV-GFCCVEGCSA-N	315.417	3.086	10	20	DGCD	
CSc1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186426723	FYAVZADDUPQOAN-NSHDSACASA-N	317.410	3.181	10	20	DGCD	
COc1cc(CN(C)Cc2ccc(N(C)C)c(F)c2)ccc1O	125962592	SLGLOXWCTUZBKD-UHFFFAOYSA-N	318.392	3.238	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](C)C(=O)NC(C)(C)C	317436995	RIDHKLVPAKXAMT-FRRDWIJNSA-N	304.434	3.142	10	20	DGCD	
C[C@H]1CN(CCCCN[C@@H](C)c2cc(F)ccc2O)C[C@@H](C)O1	185207102	DFKKSPCJDHUVNU-ZNMIVQPWSA-N	324.440	3.071	10	20	DGCD	
C[C@H](N[C@H](C)CCS(C)(=O)=O)c1ccc2ccccc2c1O	185791016	QDIJVLHHCNANGT-OLZOCXBDSA-N	321.442	3.019	10	20	DGCD	
COc1ccc(O)c(CN[C@H]2CCOc3ccc(OC)cc32)c1	89726510	XAFRYVYPGKLKQR-INIZCTEOSA-N	315.369	3.023	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccc([S@](C)=O)cc1	85324838	RJTLZBVZSAFONN-JOCHJYFZSA-N	316.470	3.088	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2nnnn2-c2ccccc2)cc1	191579048	ITNWKUXWUYZHCZ-UHFFFAOYSA-N	323.400	3.086	10	20	DGCD	
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Cc1ccon1	255575229	JIRAHQAAVFSPMZ-GHXNOFRVSA-N	320.370	3.215	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccc(CO)o1	271094960	YIGQKRXEGKRTOM-UHFFFAOYSA-N	302.418	3.249	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@H](CO)c2ccc(Cl)cc2)c1	808430622	IDPQSJGWJVDKQP-HNNXBMFYSA-N	305.805	3.220	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNCC(C)(C)O)cc1	295199658	OZNYZLMOFUCTSP-UHFFFAOYSA-N	304.459	3.245	10	20	DGCD	
CC[C@@H](N[C@@H]1CCn2ccnc2C1)c1cccc(Cl)c1O	806159995	DAOMWNQNGNLLSG-BXUZGUMPSA-N	305.809	3.298	10	20	DGCD	
CC[C@H](N[C@@H](C)CC(N)=O)c1cc(Cl)cc(Cl)c1O	806142816	GBZCKEKJYIQFDQ-CPCISQLKSA-N	305.205	3.004	10	20	DGCD	
C[C@H](CCO)CCN[C@@H](C)c1ccc(Br)cc1O	296631622	BKGKROMZOPLFJZ-QWRGUYRKSA-N	316.239	3.214	10	20	DGCD	
O=C(C[C@H]1CCCCO1)NCc1cc(Cl)cc(Cl)c1O	807838208	KWXFDEKXMNOJJX-LLVKDONJSA-N	318.200	3.274	10	20	DGCD	
CCOc1ccc(O)c(CNc2cccc(CC(=O)O)c2)c1	818244798	SKKHMVYXZRQGOK-UHFFFAOYSA-N	301.342	3.030	10	20	DGCD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCc1ccc(N)cc1	818545256	SFSONTXWRPIQMI-CABCVRRESA-N	300.427	3.101	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H](O)c1ccc(F)cc1	816528563	IDNZBWREYYIEGA-OAHLLOKOSA-N	313.731	3.147	10	20	DGCD	
C[C@@H](NCCc1ccn(C)n1)c1cccc(C(F)(F)F)c1O	815616297	KWEVFMKHQGGTJM-SNVBAGLBSA-N	313.323	3.038	10	20	DGCD	
CC(C)(CCNCc1cc(Cl)cc(Cl)c1O)C(=O)O	818628884	DZMWHTSIUFPTGX-UHFFFAOYSA-N	306.189	3.290	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(F)F)ccc21	579392133	XMCKXKNNUOEFIN-UHFFFAOYSA-N	324.371	3.290	10	20	DGCD	
CCC(C)(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	726753998	LPAYYKIPQJQPDY-CQSZACIVSA-N	304.434	3.137	10	20	DGCD	
CCC(=O)C1(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1	823213979	UKHUJRFGVNESRK-UHFFFAOYSA-N	320.408	3.047	10	20	DGCD	
Cc1cc(CN(CC(N)=O)C(C)(C)C)ccc1N1CCCCC1	828090856	HEELEIXNDXLONX-UHFFFAOYSA-N	317.477	3.071	10	20	DGCD	
CC(C)C[C@@](C)(CNCc1c(O)ccc(Cl)c1F)C(=O)O	900053434	HYTIYWVRWRYGMH-HNNXBMFYSA-N	317.788	3.411	10	20	DGCD	
CC[C@@H](COC)NC(=O)c1sccc1-n1c(C)ccc1C	737980445	QPQYCJUQSQWCFB-ZDUSSCGKSA-N	306.431	3.310	10	20	DGCD	
CC[C@@H](NCCOC1CCSCC1)c1ccc(F)cc1O	903444414	ANPSJUBFKXFSLE-OAHLLOKOSA-N	313.438	3.484	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H]1COC3(CCCCCC3)O1)CC2	834737881	ZPYHLADURJOTOA-JKSUJKDBSA-N	317.429	3.435	10	20	DGCD	
CCc1ccc([C@@H](CNC(=O)c2cc(O)cs2)N(C)C)cc1	731864062	NBODLRRPEFISPV-OAHLLOKOSA-N	318.442	3.049	10	20	DGCD	
C[C@H](NC[C@H](CO)Cc1ccco1)c1ccc(Cl)cc1O	841756862	CTOBWSCSYYYTDE-NWDGAFQWSA-N	309.793	3.140	10	20	DGCD	
COc1cccc([C@H](C)NCCOCc2ccccc2)c1O	846144497	HETPQTNHOVPTKG-AWEZNQCLSA-N	301.386	3.268	10	20	DGCD	
C1=C[C@H]2C[C@H]1[C@H](CCNCc1ccc(N3CCOCC3)cc1)C2	848562857	NXUFOJWTSSUSAM-GBESFXJTSA-N	312.457	3.215	10	20	DGCD	
COCCC1(CNC(=O)Nc2ccc(N)cc2)CCCCC1	841296579	VVJOWACNEDTMPZ-UHFFFAOYSA-N	305.422	3.377	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2c(C)noc2C)c1	756576267	ZBFCJGRSNYNDEM-UWVGGRQHSA-N	318.373	3.195	10	20	DGCD	
CC[C@@H](NCCN(C)CC(F)F)c1cc(Cl)ccc1O	858597658	TUPSVLGXXFEUAB-GFCCVEGCSA-N	306.784	3.283	10	20	DGCD	
CCOCCOCCN[C@H](C)c1cc(Cl)cc(C)c1O	927085465	IJYUCVYOPMBIKW-GFCCVEGCSA-N	301.814	3.058	10	20	DGCD	
C[C@@H](Cc1ccc(O)cc1)NCc1cc(F)c(N(C)C)cc1F	858127767	PQYNGBUXIRYSIR-LBPRGKRZSA-N	320.383	3.457	10	20	DGCD	
C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1O	756711864	MUBOJBPTUODVBV-RFAUZJTJSA-N	311.303	3.194	10	20	DGCD	
COc1cc(CNC[C@]2(O)CCC[C@H]2C)c(O)c(C(C)(C)C)c1	850311716	ZJWVGISVZVBLDO-BFUOFWGJSA-N	321.461	3.339	10	20	DGCD	
C[C@H](NC[C@@H](C)N1CCCC[C@H]1C)c1cc([N+](=O)[O-])ccc1O	756412514	UPIZUBFXJXRVMZ-MCIONIFRSA-N	321.421	3.214	10	20	DGCD	
COc1cc(CN2CCCc3cc(OC(F)F)ccc32)on1	851824833	MYDMDJSYLKVTCV-UHFFFAOYSA-N	310.300	3.237	10	20	DGCD	
CN1CCN(Cc2cc(-c3ccccc3)ccc2O)C(C)(C)C1=O	769483423	NBMBTHQNMATWHG-UHFFFAOYSA-N	324.424	3.112	10	20	DGCD	
COC(C)(C)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	866503577	URNTULLEGPDGNE-AWEZNQCLSA-N	324.440	3.128	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@@H]1CN[C@@H](C)c1cc(OC)ccc1O	930216384	GRRCVWFUAJSRLU-GZBFAFLISA-N	321.417	3.031	10	20	DGCD	
CCC[C@@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C	762442560	RQISBFXDAVOOMT-CYBMUJFWSA-N	306.431	3.046	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1CN1CCCC1)CCCC2	768447292	OBVMPQUPNCNAOJ-LJQANCHMSA-N	314.473	3.331	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](F)c1ccccc1	769354704	NNAXHGJBUSLOIB-QGZVFWFLSA-N	300.377	3.422	10	20	DGCD	
CN(C)c1ccc(CN2CCN(C3CCCCC3)CC2)cc1	768241126	KBAFEMQOUYSCHZ-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
C[C@H](NCC(=O)Nc1cccc(F)c1)c1ccc(N(C)C)cc1	775832068	WYWODTPVPYUFQN-ZDUSSCGKSA-N	315.392	3.181	10	20	DGCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnn1C(C)C	773017809	FXZSYHTVRQODDC-ZDUSSCGKSA-N	314.433	3.329	10	20	DGCD	
C[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1	776339902	RDCSYQVMZYITJE-ZBFHGGJFSA-N	318.486	3.292	10	20	DGCD	
CCOc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1C	779514270	NEFRBIVCXXURRX-TWGQIWQCSA-N	313.353	3.457	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCCCCC1	774486730	XMDRHKHZNRUSFV-HOTGVXAUSA-N	317.477	3.194	10	20	DGCD	
CN(Cc1cc(F)cc(F)c1)Cc1cc2c(cc1O)OCO2	1116797772	XLMBNBQXNFPJBB-UHFFFAOYSA-N	307.296	3.031	10	20	DGCD	
CCCOc1ccc(CNCCCOC2CCOCC2)cc1C	873060203	FEJOMIXAMATSNK-UHFFFAOYSA-N	321.461	3.459	10	20	DGCD	
Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	773086649	FIYDMALYOUZIJM-CQSZACIVSA-N	318.442	3.101	10	20	DGCD	
COC(=O)C1(NCc2ccc(N(C)C)cc2)CCCCCC1	785763270	GFSVFEIEERSTSK-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN(CC2CC2)C1)c1c(O)cccc1F	886639842	MRBKWGMSHOAFDY-ZFWWWQNUSA-N	306.425	3.304	10	20	DGCD	
CCN1CC(=O)N[C@@H]1c1cc(C(C)(C)C)cc(C(C)(C)C)c1O	788688545	BYVDJGKDLVPQIH-KRWDZBQOSA-N	318.461	3.438	10	20	DGCD	
CCCN(Cc1ccc(OCCOC)o1)Cc1ccccc1O	891853049	AFSUJSLZFSZJRZ-UHFFFAOYSA-N	319.401	3.423	10	20	DGCD	
Cc1cscc1CNCc1ccc(N2CCOCC2)c(F)c1	785520920	DRLHRGURLLEEPS-UHFFFAOYSA-N	320.433	3.322	10	20	DGCD	
Cc1cccc(NCCNCc2c(O)ccc(Cl)c2F)n1	790975043	ZICXDCAJINRBEF-UHFFFAOYSA-N	309.772	3.090	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC(C3CCCC3)C2)cc1	792793804	VGWPJXASZZWQOP-UHFFFAOYSA-N	301.434	3.084	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)C1CCC(CO)CC1	1323741059	RWCQZRSLEHHJKH-UHFFFAOYSA-N	302.462	3.270	10	20	DGCD	
CS[C@@H]1CC[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1	1341568765	DZWSEOIGNRARKO-QZTJIDSGSA-N	320.502	3.239	10	20	DGCD	
CC/C=C(\C)C(=O)N(CC)CCNCc1ccc(OC)c(C)c1	1754036632	XTINLPQWXSRCJI-OVCLIPMQSA-N	318.461	3.298	10	20	DGCD	
CN(Cc1ccccc1O)[C@@H](C(=O)O)c1c(F)cccc1Cl	1598530540	KFPWFAOIRIRNDP-OAHLLOKOSA-N	323.751	3.442	10	20	DGCD	
CC(C)n1cc([C@H](C)N[C@H](C)c2cc(C(=O)O)ccc2O)cn1	1593197403	JVPVOMOMWSTOBB-NWDGAFQWSA-N	317.389	3.280	10	20	DGCD	
COc1cccc(NNC(=S)Nc2cccc(OC)c2)c1	18167678	FHOKHLVNDQVXEE-UHFFFAOYSA-N	303.387	3.017	10	20	DGCD	
CC[C@H](NCCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1O	155412184	NFJQXTGOQOCQQT-NUJGCVRESA-N	320.477	3.322	10	20	DGCD	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)[C@H](O)C(F)(F)F	865711828	RNWKCTLATMRRRI-FWOIEVBISA-N	318.122	3.100	10	20	DGCD	
CC[C@@H](N[C@@H](C)C(C)(C)O)c1cc(Br)ccc1O	393969225	WXLHKLHKNSCJGP-JOYOIKCWSA-N	316.239	3.355	10	20	DGCD	
CC(C)CN1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	301400935	YLKUWKQPOMQYPU-UHFFFAOYSA-N	320.477	3.169	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cc(C#N)ccc2OC)c1	182357427	NHKDXNFSIQWLGI-GFCCVEGCSA-N	312.369	3.132	10	20	DGCD	
Cc1[nH]ncc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1	180158122	PTWJIRRUDHMELZ-CYBMUJFWSA-N	316.474	3.122	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1N1CCCC1	180622335	RUZMKSILQGDJRA-CSKARUKUSA-N	324.380	3.350	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCCOCC1	180984510	SRVBTDOSMGIHKI-CQSZACIVSA-N	318.442	3.455	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1CCCc2cccc(O)c21	189063355	HZNGIUKQEJULGI-BQYQJAHWSA-N	300.383	3.150	10	20	DGCD	
CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2CC)c1O	30542561	PYVPJIAFVIXFMO-KRWDZBQOSA-N	312.369	3.377	10	20	DGCD	
COc1cc(C)cc(CN2CCN(c3ccccc3)CC2)c1O	125197603	CDLUKXNBHXSLLW-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
CC(C)N1CC[C@H](N[C@@H](C)c2ccc3ccccc3c2O)C1=O	186048133	NINODEFMXMBVNH-GUYCJALGSA-N	312.413	3.205	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@H]2CCC[C@H](C)C2)c1O	73831899	XYXPZPWCWYQTQR-STQMWFEESA-N	306.406	3.026	10	20	DGCD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1	134068102	YAIIMNLAWJNHEK-RBUKOAKNSA-N	323.440	3.416	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCc1nnc2ccccn12	323914135	GSRFIUGLPJUKOG-KGLIPLIRSA-N	322.412	3.124	10	20	DGCD	
Nc1ccc(CN2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1	380110495	ZIZUFFBOSZFCRK-VQTJNVASSA-N	321.468	3.223	10	20	DGCD	
Cc1ccc(NC(=O)c2cccc(O)c2O)cc1OC(F)F	193070912	MRPNNRMZJYEAJZ-UHFFFAOYSA-N	309.268	3.260	10	20	DGCD	
Nc1ccc(CC(=O)Nc2c(F)cccc2N2CCCC2)cc1	237916574	SUTJBEXYMFEMFR-UHFFFAOYSA-N	313.376	3.189	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CC[C@@H](N2CCCC2)C1	92756251	ALIZMJQQQDARSO-HXUWFJFHSA-N	313.489	3.347	10	20	DGCD	
CC(C)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1	522513422	KHOBVJWIXIWKPD-UHFFFAOYSA-N	313.382	3.076	10	20	DGCD	
CO[C@H](C)c1nc(CNCc2ccc(N(C)C)cc2)cs1	267633533	OQWIXDOCBCQRAW-GFCCVEGCSA-N	305.447	3.206	10	20	DGCD	
CCCOc1ccc(CNCC[C@@H]2CCO[C@H](C)C2)c(O)c1	273028953	FWWPWYXNPXKFOC-HUUCEWRRSA-N	307.434	3.476	10	20	DGCD	
C[C@H]1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CCS1	379489244	CLNPBCURYDDVHM-MZBZXASESA-N	322.386	3.024	10	20	DGCD	
CSCC(C)(C)C(=O)NCc1ccc(N2CCCC2)cc1	281914802	CJWVGHLXYKPUFQ-UHFFFAOYSA-N	306.475	3.292	10	20	DGCD	
C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccccc1O	290458356	MXESQPKIABMPCL-ZDUSSCGKSA-N	312.417	3.218	10	20	DGCD	
O=[N+]([O-])c1ccc(CCNCc2cc(Cl)c(F)cc2O)cc1	816548847	UUKPHSNIEDEUDG-UHFFFAOYSA-N	324.739	3.425	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CNC2)c1cc(Cl)ccc1O	817969724	YSRQRUMFZJTMKC-LLVKDONJSA-N	302.805	3.500	10	20	DGCD	
CCCN(CC(=O)OCC)Cc1ccc2ccccc2c1O	816494806	ADXHSDVQCOKEAY-UHFFFAOYSA-N	301.386	3.321	10	20	DGCD	
COc1ccc(OC)c(NC(=S)NNc2ccccc2F)c1	726450227	NKEDONMBKSSLBU-UHFFFAOYSA-N	321.377	3.156	10	20	DGCD	
COc1cccc(CNC(=O)/C(F)=C\C2CCCCC2)c1O	825703340	QSILJOHKPBTJRO-GXDHUFHOSA-N	307.365	3.451	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(CC)o1)Cc1ccccc1O	822511295	BFKWHVGCSWPYQU-UHFFFAOYSA-N	317.385	3.113	10	20	DGCD	
C[C@@H]1CSc2ccccc2N(C(=O)/C=C\c2cn(C)cn2)C1	824462108	PJUDYOPDLCSTQP-WSROAFLRSA-N	313.426	3.208	10	20	DGCD	
CN(Cc1ccccc1O)C[C@H]1CCCN(C(=O)C(C)(C)C)C1	821392500	ZYNLLCBCRUHMJX-OAHLLOKOSA-N	318.461	3.109	10	20	DGCD	
CC[C@]1(O)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1	825567584	KEEYSSFALDRJMC-SFHVURJKSA-N	307.434	3.045	10	20	DGCD	
Cc1cc(CN(C)C[C@@H]2CCOC2)ccc1N1CCCCC1	827990045	AXLGBYFMQMKGJI-SFHVURJKSA-N	302.462	3.454	10	20	DGCD	
Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2cc(O)cs2)c1	732354765	YUDHXQXERMCQKM-NSHDSACASA-N	319.382	3.255	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1ccc(F)cn1)CCC2	839656098	GXCPOISAFKKLGP-UHFFFAOYSA-N	302.349	3.191	10	20	DGCD	
C[C@H]1CC[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	839146315	CIEYUINARLTKTA-JSGCOSHPSA-N	310.388	3.080	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccnc1F	832096685	OHNGVGHYNPFFDT-UHFFFAOYSA-N	303.337	3.370	10	20	DGCD	
COc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1Cl	588611492	SEAIVMRTULXLFA-CLTKARDFSA-N	319.744	3.412	10	20	DGCD	
COc1cccc(N(CC(C)C)C(=O)/C=C\c2cnn(C)c2)c1	914525694	CKCTVIVYTVBTCK-HJWRWDBZSA-N	313.401	3.131	10	20	DGCD	
O=C(NCc1ccccc1O)C1(c2ccc(Cl)cc2)CC1	748353580	BEMVWFPNAZMNBD-UHFFFAOYSA-N	301.773	3.394	10	20	DGCD	
CCc1cccc(CN2CC[C@@H](CN(C)CC3CC3)C2)c1O	848889387	JIEQAMGYPBGSLF-INIZCTEOSA-N	302.462	3.118	10	20	DGCD	
COc1ccc(O)c(CNC[C@H](C(=O)OC(C)(C)C)C(C)C)c1	848925643	ASULSJHWFRUPJJ-HNNXBMFYSA-N	323.433	3.104	10	20	DGCD	
CCNC(=N)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	848986801	DDFUSORGDGZTRL-GFCCVEGCSA-N	308.857	3.210	10	20	DGCD	
CCc1cccc(CN[C@H](CCO)c2ccccc2F)c1O	848919431	KSWULKIXIAZDNJ-QGZVFWFLSA-N	303.377	3.307	10	20	DGCD	
CC(C)[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1	841955279	YJYHMGJKWVMTPZ-INIZCTEOSA-N	303.450	3.279	10	20	DGCD	
CC[C@H](N[C@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1O	841763018	TUQFCZOXWIRHNU-GWCFXTLKSA-N	318.795	3.426	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cccnc1	840487729	HSDZJDVMEFRJBA-CQSZACIVSA-N	312.417	3.209	10	20	DGCD	
CCOCCOCCN[C@@H](CC)c1cc(Cl)ccc1O	927086632	HKLKNKFJXROGBC-AWEZNQCLSA-N	301.814	3.139	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC(C2CC2)C2CC2)c1	756614798	ATNZIRIFPLGUNR-LLVKDONJSA-N	303.402	3.266	10	20	DGCD	
Cc1nc(C)c(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)s1	756553680	MSTPFXIHLLELOV-VIFPVBQESA-N	321.402	3.267	10	20	DGCD	
C[C@H]1Cc2cc(CNCc3cc(F)cc(F)c3O)ccc2O1	922702177	WVVDZGUCFIOMTD-JTQLQIEISA-N	305.324	3.284	10	20	DGCD	
COc1cc(CNC2(CO)CCCCC2)c(O)c(C(C)(C)C)c1	850239750	UWXCQAPKZHKMGD-UHFFFAOYSA-N	321.461	3.483	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1O	926922756	RRRRPMUGMGXQEN-PWSUYJOCSA-N	320.330	3.209	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCOC2CCCCC2)c1	756491595	WIKJQEIASAMBLT-ZDUSSCGKSA-N	321.417	3.179	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccccn2)c1O	751481586	IGIVSEJIJQWGFU-QGZVFWFLSA-N	314.360	3.466	10	20	DGCD	
CS[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(C)ccc1O	858579168	NGBOYRXALRFLCA-UKRRQHHQSA-N	308.447	3.174	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](C)Cc2cccnc2)c1O	934236389	OOKASSZCYJIQLZ-NSHDSACASA-N	318.804	3.364	10	20	DGCD	
C[C@H](C(=O)NCc1cccc(Br)c1O)c1ccco1	765732045	OTOZMOLKEABITM-VIFPVBQESA-N	324.174	3.168	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@H]3CCOC3)c2C)c1	863160873	CTQNWIFGYWCFAQ-INIZCTEOSA-N	312.413	3.055	10	20	DGCD	
COCCN(Cc1ccc(N(C)C)cc1)Cc1cccs1	768199054	WNCRFDJKEGQQET-UHFFFAOYSA-N	304.459	3.463	10	20	DGCD	
CC(C)N(CC[C@H]1CCCN1C)Cc1ccc(N(C)C)cc1	767349426	SZSTUBPYMQGPPZ-LJQANCHMSA-N	303.494	3.447	10	20	DGCD	
CC(C)CC1(NCc2ccc(N3CCC(O)CC3)cc2)CC1	877638430	GOJQTJOQDQEOAE-UHFFFAOYSA-N	302.462	3.316	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]2c2cc(C)on2)c(O)c1	768427511	BYAOVFNFFYNPNU-MRXNPFEDSA-N	302.374	3.424	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)CC(=O)OC(C)(C)C	779347637	LVSUXMICZSYHDC-AWEZNQCLSA-N	306.450	3.271	10	20	DGCD	
Cc1cccc(O)c1CN1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2	877503803	BFAXPIDOQOISAX-HZPDHXFCSA-N	309.413	3.254	10	20	DGCD	
Cc1cnc(Cl)c(C(=O)NCc2ccc(N(C)C)cc2)c1	877977995	AVEQPBBQBUHVJA-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
Cc1occc1CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C	898449357	CJAQFTDNBDTWJL-SFHVURJKSA-N	301.434	3.047	10	20	DGCD	
O=C1/C(=C/c2cnn(C3CCC3)c2)c2cccc3c2N1CCC3	899384396	KOAMDSCPCOJNCS-LICLKQGHSA-N	305.381	3.442	10	20	DGCD	
COc1ccc(CNCCc2cc(C)ccc2F)c(O)c1OC	894742040	OPCAJPCNBXYYKW-UHFFFAOYSA-N	319.376	3.189	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)CCCC2	792882427	GDSBQDSNVVNDKX-AQTBWJFISA-N	318.376	3.027	10	20	DGCD	
CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCO1	798459965	PMRPCMJTLUDCOQ-YOEHRIQHSA-N	319.449	3.024	10	20	DGCD	
Oc1cc(Br)ccc1CNCC1CCSCC1	691440212	ODFXAYZLBQTFQS-UHFFFAOYSA-N	316.264	3.388	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](c2ccsc2)N(C)C)c1O	1334351154	WSKJNOMFFHQOEF-OAHLLOKOSA-N	320.458	3.163	10	20	DGCD	
CCCn1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)n1	1262619030	MZKGAYLVWJVRTO-ZDUSSCGKSA-N	314.433	3.159	10	20	DGCD	
C[C@H](NC[C@H]1CC12CCSCC2)c1cc(C(=O)O)ccc1O	1593252043	MNLSEOIZVSQRDQ-WCQYABFASA-N	321.442	3.274	10	20	DGCD	
COc1cc(C(=O)O)ccc1NCc1cc(Cl)ccc1O	1599375458	YGYFZZQJVIMVMW-UHFFFAOYSA-N	307.733	3.365	10	20	DGCD	
COCc1cccc(N[C@@H](C)c2cc(C(=O)O)ccc2O)c1	1599297057	GSXCFHMLMYQZTK-NSHDSACASA-N	301.342	3.410	10	20	DGCD	
CO[C@@H](CN(C)c1ccc(OCC(=O)O)cc1)C1CCCCC1	1777142223	HLVMERIFCPWSAA-KRWDZBQOSA-N	321.417	3.182	10	20	DGCD	
CCC(C)(C)OCCNCc1cc(Cl)cc(OC)c1O	308760251	XRPCXBWAECYDLE-UHFFFAOYSA-N	301.814	3.349	10	20	DGCD	
COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)C(C)C)cc1F	104682758	PYCNMEGVQFMHCZ-ZDUSSCGKSA-N	310.413	3.210	10	20	DGCD	
COc1cc(CN(C)Cc2cccc(Cl)c2O)ccc1O	179665219	MWEALESGRMBGEA-UHFFFAOYSA-N	307.777	3.392	10	20	DGCD	
Cc1cccc(CN(C)CC(=O)Nc2c(C)cccc2C)c1O	179570183	SRAOQMPJJDQFIL-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
COc1cccc(CNCCCN(C)C2CCCCC2)c1O	69953129	QJGJDFQXXWZSLO-UHFFFAOYSA-N	306.450	3.145	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)C(C)C)CC2)cc1	171938436	VLIZCZSAQIVAKD-CQSZACIVSA-N	304.434	3.072	10	20	DGCD	
CN(CC1CCCC1)C(=O)NCc1ccc(N2CC=CC2)cc1	127922872	VQMNQZDNUGECRJ-UHFFFAOYSA-N	313.445	3.394	10	20	DGCD	
CCc1cc2c(NCCc3ccc(O)c(O)c3)ncnc2s1	301576916	MOKBQHVOZJUAHS-UHFFFAOYSA-N	315.398	3.320	10	20	DGCD	
CCN(CC(F)F)C(=O)c1cc(C)n(-c2ccccn2)c1C	185839616	YABQYXGTJNZPIZ-UHFFFAOYSA-N	307.344	3.216	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)c(F)c(F)c1	181116234	ZXRSDCRQSZCWND-DUXPYHPUSA-N	309.243	3.167	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCSc1ccccc1	180602017	MSAHCDXQWIXGGR-VQHVLOKHSA-N	315.394	3.020	10	20	DGCD	
C[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccccc1O	183478603	MLRUXJQMZZGDGF-NSHDSACASA-N	302.340	3.070	10	20	DGCD	
CC[C@H](N[C@H](C)C[C@@H](C)O)c1cc(Br)ccc1O	228067109	SJROXWXYSKCPAT-BREBYQMCSA-N	316.239	3.355	10	20	DGCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cc(C)oc1C	192155484	WRDWWYULPWWSOF-UHFFFAOYSA-N	313.400	3.125	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCOCC(F)F	190892570	GWELRTUZMUTMOO-UHFFFAOYSA-N	300.132	3.070	10	20	DGCD	
COc1ccc(N2CCCN(CCc3ccccc3)CC2)cc1	97494624	ZUOCCHSWWNQICP-UHFFFAOYSA-N	310.441	3.450	10	20	DGCD	
Cc1noc([C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	91832651	NOJCAJMHGVPTBP-LLVKDONJSA-N	307.781	3.117	10	20	DGCD	
CCOC(=O)CN(CC)Cc1cc(Cl)cc(Cl)c1O	92399576	LXFFJRAMPMWVIY-UHFFFAOYSA-N	306.189	3.084	10	20	DGCD	
CCC[C@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	264785033	UZPOHTRGXHSHHI-KXKDPZRNSA-N	316.445	3.183	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](C3CCN(C)CC3)C2)cc1C	270050774	MEGZOLPRRHYGGH-KRWDZBQOSA-N	302.462	3.173	10	20	DGCD	
COC(=O)c1coc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c1	278758212	OJDIXKXWUNJXMO-LLVKDONJSA-N	320.364	3.122	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=C(C)OCCS1	280939891	LGXNHMREOCPMAI-UHFFFAOYSA-N	320.458	3.096	10	20	DGCD	
CC(C)(C)c1ncc(/C=C/C(=O)N2CCCc3n[nH]cc32)s1	280144921	QKHYBOMPIMZZET-VOTSOKGWSA-N	316.430	3.156	10	20	DGCD	
CO[C@@H]1CCC[C@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	280252362	LVSXESWHSDAXMU-FUHWJXTLSA-N	318.461	3.306	10	20	DGCD	
CC[C@@H](NCCCOC[C@@H]1CCCO1)c1ccc(C)cc1O	280028720	HYFPYDXDIDBHFQ-DOTOQJQBSA-N	307.434	3.327	10	20	DGCD	
C[C@@H]1SCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])[C@H]1C	387761608	FRTXAECPWWMUOT-UARRTVENSA-N	322.386	3.023	10	20	DGCD	
CC(=O)c1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cs1	292940332	HSZDURIAYSWLCL-UHFFFAOYSA-N	320.389	3.086	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@]2(O)CCCC2(C)C)c1O	293720666	TXCGYTMYFWKFCX-INIZCTEOSA-N	313.825	3.085	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C)nn1C	800802507	OWALMDLWZKGXDG-UHFFFAOYSA-N	316.405	3.268	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccc2c(c1)CC(=O)N2C	297601036	IANPEBMXABCSGF-MLGOLLRUSA-N	322.408	3.249	10	20	DGCD	
O[C@@H](CNc1ccccc1OCCF)Cc1ccc(F)cc1	819487820	IWQVRWHCMUEPKE-OAHLLOKOSA-N	307.340	3.190	10	20	DGCD	
N[C@@H](CN[C@H](CCc1ccccc1)c1ccccc1O)C1CC1	817965336	OQWWYBPTDNICTF-RBUKOAKNSA-N	310.441	3.393	10	20	DGCD	
COCc1nc(CN[C@@H](C)c2cc(F)cc(F)c2O)cs1	810253153	MYWAKVXHVTUVTK-QMMMGPOBSA-N	314.357	3.124	10	20	DGCD	
NC(=O)COc1ccc(NCc2ccc3ccccc3c2O)cc1	816522910	UPFAJHFZCPBFRE-UHFFFAOYSA-N	322.364	3.022	10	20	DGCD	
CCN(CC(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1	813051665	PLOTVLQYXYRJLH-UHFFFAOYSA-N	309.429	3.469	10	20	DGCD	
Cc1cc(O)c(CNc2ccc(COCCO)cc2)cc1C	818233097	BCPYUKHIJBDZFB-UHFFFAOYSA-N	301.386	3.130	10	20	DGCD	
CC(=C/c1ccccc1)/C=C1\C(=O)NN(c2ccccc2)C1=O	728696740	BPZSSABPRQNAQV-XSZMWJROSA-N	304.349	3.094	10	20	DGCD	
CC[C@@H](CC(F)(F)F)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	828884359	AIQREVDXKCPABK-KOLCDFICSA-N	319.323	3.124	10	20	DGCD	
CO[C@H](C)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1	726547373	FEHYTLUJQKQSII-OAHLLOKOSA-N	300.402	3.249	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1c(O)cccc1Cl	827750163	AILGYSJMHCWSNC-HOCLYGCPSA-N	311.809	3.257	10	20	DGCD	
C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cc(O)cs1	827223496	HXOFNELFBNMPJN-BFQNTYOBSA-N	317.410	3.444	10	20	DGCD	
CN(C[C@@H]1CCCC2(CCC2)O1)c1ccc(OCC(=O)O)cc1	903905176	YRZMBASFWGSTFX-INIZCTEOSA-N	319.401	3.078	10	20	DGCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)Cc1ccccc1F	739793147	AXEVCOIIAKREFC-UHFFFAOYSA-N	323.751	3.272	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)c2n[nH]c(C)n2)cc1	839459604	OSSQCVKCJMTEDK-ZDUSSCGKSA-N	301.438	3.152	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCO[C@@H](c3ccnn3C)C2)c(O)c1	834899401	PRFQABIWEDXVNR-SUNYJGFJSA-N	315.417	3.005	10	20	DGCD	
CC[C@@](NCc1ccc2c(c1)CCO2)(C(=O)O)c1ccccc1	736919526	AZMZRKPRCABYMS-IBGZPJMESA-N	311.381	3.101	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnccc1C	839917611	FTBRXKHPBZCCNE-OAHLLOKOSA-N	311.429	3.125	10	20	DGCD	
CSc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1	588403281	CJMYCRVSOIOFRH-VURMDHGXSA-N	301.367	3.472	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1N	843053696	RERHFNABBUBCHQ-MJGOQNOKSA-N	301.478	3.236	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](CC(=O)OC(C)C)C(C)C)c1	848927346	WCVYACXZZSDVNA-MRXNPFEDSA-N	323.433	3.247	10	20	DGCD	
Cc1ccccc1C1=NO[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1	913763969	XJDUQKQHVPHYHK-FZKQIMNGSA-N	324.380	3.071	10	20	DGCD	
Cc1occc1CNC(=O)c1cc(C)n(-c2ccccn2)c1C	919760702	QHMYFEUXAIJFIP-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)Cc2ccccc2O)o1	918077976	KWLWZBLOXMOHMT-DOMZBBRYSA-N	314.385	3.450	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CCN1	841064093	XWHDGOOFQMVIOA-AAEUAGOBSA-N	315.383	3.002	10	20	DGCD	
CCOc1ccc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c(O)c1	742376743	FJLRSSBCZRIORU-USXIJHARSA-N	305.418	3.084	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](CO)c2ccccc2C)c1O	846148893	UGNNKHWVRUXGLW-XJKSGUPXSA-N	301.386	3.093	10	20	DGCD	
Cc1cccc(CN[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O	843417460	UOQXQBIXDRBHCD-ZIAGYGMSSA-N	322.449	3.482	10	20	DGCD	
CN(Cc1c(O)ccc2ccncc12)[C@@H]1CCCc2c1cnn2C	747815569	ROZDDMAVKZRPTQ-QGZVFWFLSA-N	322.412	3.183	10	20	DGCD	
CC[C@H](N[C@H](CO)CCF)c1cc(Cl)cc(Cl)c1O	846209670	RYPLDODPZRCIEJ-CABZTGNLSA-N	310.196	3.460	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cc2n(n1)CCC2	840713224	LGHGOSHSZSHFRI-OAHLLOKOSA-N	310.445	3.280	10	20	DGCD	
CSC1CC(N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	924792405	CKVQDWZOARPGFQ-BZOOQXSSSA-N	306.475	3.068	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@]3(CCN(C)C3)C2)cc1	852106466	YVDAKHGIJJCTCM-IBGZPJMESA-N	301.478	3.060	10	20	DGCD	
COc1cccc(CNC(=O)c2cc(F)cc(Cl)c2)c1O	757384081	ZWGYPEIQQLZKPC-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CC(=O)C[C@@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C	753863954	XDOAOSIFBCPTGX-CYBMUJFWSA-N	312.413	3.500	10	20	DGCD	
C[C@@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O	850556389	KVKOPSZELDPPGB-VXGBXAGGSA-N	324.852	3.343	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)Cc2cnn(-c3ccccc3)n2)c1	754725999	KIUWAVJKPNMGBP-UHFFFAOYSA-N	322.412	3.222	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc3c(c2)C(=O)NCC3)c(O)c1C	757660854	JWEPTNRIYQTPRD-AWEZNQCLSA-N	324.424	3.146	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H](O)c2c(F)cccc2F)c1	756738074	JCUCDIWWJHVAPU-BDJLRTHQSA-N	307.340	3.363	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(Cc2ccoc2)C2CC2)c1O	934004462	LWQOWDXLUYCUSN-UHFFFAOYSA-N	303.333	3.492	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1cncc(F)c1	868490042	MTRVAQALQBWYHA-WDEREUQCSA-N	303.337	3.048	10	20	DGCD	
C[C@@H]1SCCN(Cc2cc(Br)ccc2O)[C@H]1C	769447016	RLYCYXKKQUFTJO-UWVGGRQHSA-N	316.264	3.481	10	20	DGCD	
C[C@H](O)C[C@H]1CCCCN1Cc1cc(F)c(N(C)C)cc1F	862351267	IMFUKWUTISDDPL-GXTWGEPZSA-N	312.404	3.156	10	20	DGCD	
CCOc1ccc(CN(C)CCOCc2ccccc2)c(O)c1	770305893	MTEVCHVIHAEEBV-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CCC[C@@H](OC)C3)CC2)cc1	773083165	KOQDNMQLPKKTBG-VQIMIIECSA-N	318.461	3.211	10	20	DGCD	
COc1c(F)cc(F)cc1NCc1cc2c(cc1O)OCO2	770562162	ACNNLAGMBBLBGV-UHFFFAOYSA-N	309.268	3.020	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CCC2(CCCCC2)C1	1121274788	TYPMMGXJBIMJOX-UHFFFAOYSA-N	318.446	3.410	10	20	DGCD	
CCc1c(C)nc2ncnn2c1Sc1ncc(Cl)s1	894624172	TZLQRVOZKDDPLJ-UHFFFAOYSA-N	311.823	3.256	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cc(C)cc(OC)c2O)c1	894780991	BUEVVBPUUIICQI-LBPRGKRZSA-N	317.385	3.274	10	20	DGCD	
CN(C)c1ccc(CNc2ccc3ccn(C)c(=O)c3c2)cc1	790637624	KDSAJWAPWANAKT-UHFFFAOYSA-N	307.397	3.217	10	20	DGCD	
Cc1cc(CNc2cc(C(=O)O)ncn2)c(C)n1-c1ccccc1	1607651756	PBWADXZKJLXALQ-UHFFFAOYSA-N	322.368	3.194	10	20	DGCD	
O=C(O)c1ccc2c(c1)CCN2Cc1ccc(Cl)cc1O	1602419218	TXABZZDJRPXHPF-UHFFFAOYSA-N	303.745	3.307	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1N	122269084	RMBLKQAFSIOOPO-ZANVPECISA-N	303.233	3.258	10	20	DGCD	
C[C@@H]1CCC[C@@](NCc2c(O)ccc(Cl)c2F)(C(=O)O)C1	1776634740	CFBHWCMAQNZSHU-PSLIRLAXSA-N	315.772	3.308	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cccc(C(=O)O)c2)cc1F	1777038264	KPQGTAMMYSOBJH-UHFFFAOYSA-N	306.312	3.341	10	20	DGCD	
Cn1cc(/C=C/C(=O)N(CC2CCCCC2)c2ccccn2)cn1	157572894	LHIJIPVYWXDVDM-ZHACJKMWSA-N	324.428	3.442	10	20	DGCD	
CC[C@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	156684847	WIZWHGVAQZGREZ-OAHLLOKOSA-N	313.397	3.340	10	20	DGCD	
COCCC(C)(C)NCc1cccc(Br)c1O	397930342	UKXNIXMOXKXQMZ-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
C[C@@H](NCc1cc(Br)ccc1O)c1cccnc1	227434935	MZIMJRUUOPJPOI-SNVBAGLBSA-N	307.191	3.401	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1	55877791	FWMKEOUCEOCKQE-MRXNPFEDSA-N	314.429	3.090	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cccc3[nH]ccc23)c1O	105028843	LSXQOUJUMMDZCF-UHFFFAOYSA-N	311.341	3.204	10	20	DGCD	
Oc1cccc(Cl)c1CNCCN1CCc2sccc2C1	113326527	JFAIOOHDPAZQJU-UHFFFAOYSA-N	322.861	3.255	10	20	DGCD	
CO[C@@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1	179749499	STKGHUWMGOQUKX-CYBMUJFWSA-N	314.223	3.074	10	20	DGCD	
CCSCC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1	174269817	RTALZVANACACLI-ZDUSSCGKSA-N	309.479	3.084	10	20	DGCD	
CN(CC(=O)NC1(c2ccccc2)CCC1)Cc1ccccc1O	111235213	RSFAEYIMEHBCFY-UHFFFAOYSA-N	324.424	3.020	10	20	DGCD	
CCn1nccc1/C=C1\SC(Nc2cccc(C)c2)=NC1=O	178876924	IBVBOKGNMDKEBU-UVTDQMKNSA-N	312.398	3.294	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H]1C	175842342	JOSFSOIDAKIMDN-SKDRFNHKSA-N	312.207	3.159	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)o1	66970230	GHFQYVNHILYIFQ-CQSZACIVSA-N	318.392	3.415	10	20	DGCD	
CCN(C(=O)c1cccc(O)c1O)[C@H](C)c1ccc(C#N)cc1	188267901	GYCWXSOKEAJBIX-GFCCVEGCSA-N	310.353	3.193	10	20	DGCD	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O	185442409	YOQRUPFEDFUTGJ-AAEUAGOBSA-N	324.396	3.191	10	20	DGCD	
FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1csnn1	184736811	KUDDMBDUMRCCPN-UHFFFAOYSA-N	315.320	3.390	10	20	DGCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)nc1	184233233	AVZNXWIYEFFPDQ-UHFFFAOYSA-N	310.401	3.312	10	20	DGCD	
Cc1cccc(NC2=NC(=O)/C(=C\c3cn(C)nc3C)S2)c1	120724228	ZUVRIAAGBBNTMZ-RIYZIHGNSA-N	312.398	3.119	10	20	DGCD	
Cc1cccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1	127795123	LCXJSZUUJRMURT-UHFFFAOYSA-N	315.392	3.102	10	20	DGCD	
CSc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1	182477474	RJUUVZYRDMROKY-UHFFFAOYSA-N	309.412	3.223	10	20	DGCD	
C[C@H](O)C[C@@H](C)CN[C@@H](C)c1ccc(Br)cc1O	185521927	FUYKSCBYQHIVRO-VWYCJHECSA-N	316.239	3.212	10	20	DGCD	
CCN(CC)c1ccc(CNCCN(C)C2CCCC2)cc1	316047956	DHTNLPILVKXRJB-UHFFFAOYSA-N	303.494	3.497	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](N2CCCC2)CC1	93563845	GVUWRNONDFQPRC-INIZCTEOSA-N	308.853	3.496	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)[C@@H]1CCCc2c1cnn2C	93863971	GZTPESCRXRKYMU-CQSZACIVSA-N	305.809	3.289	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCOC[C@H]2CCCO2)cc1	247977965	LTIZXBIIUSPFLT-VQIMIIECSA-N	320.477	3.379	10	20	DGCD	
CCNC(=O)c1ccc(NCc2c(C)c3ccccc3n2C)nc1	359840871	UEUHFCIYYKVAJY-UHFFFAOYSA-N	322.412	3.244	10	20	DGCD	
CC1CCN(c2ccc(CNc3ncnc4nc[nH]c34)cc2)CC1	264516411	ZEAYTZHRBGGDTI-UHFFFAOYSA-N	322.416	3.201	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2cccc(-n3cncn3)c2)c(O)c1C	273621551	ZFKHCPDBBUVTBI-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
CN1CC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1	272589085	HQLLOZACRFTKTM-QMTHXVAHSA-N	315.244	3.225	10	20	DGCD	
CO[C@@H](C)CN[C@H](C)c1cc(Br)cc(C)c1O	276981558	WAJSFKAUMJJHSZ-VHSXEESVSA-N	302.212	3.149	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@H](C)C[C@H]1C	801549368	LPNSAGIFRNINAG-CKEIUWERSA-N	305.418	3.334	10	20	DGCD	
Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c(O)c1O	293898646	RBPAHKXAVPJAGU-MRXNPFEDSA-N	312.369	3.025	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1Cl	803089455	ASYICOKEADFESM-QMMMGPOBSA-N	311.790	3.174	10	20	DGCD	
CCOc1ccc(CNC[C@H](O)c2cc(C)cc(C)c2)c(O)c1	800897230	GTBREIPIRSKINQ-IBGZPJMESA-N	315.413	3.231	10	20	DGCD	
C[C@@H](CCCCN)N[C@H](C)c1ccc(Br)cc1O	817976245	IRWSESSRMOUQMG-WDEREUQCSA-N	315.255	3.323	10	20	DGCD	
Cc1cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)ccc1N(C)C	815117602	ADMDMEQBJWGDTO-MRXNPFEDSA-N	318.852	3.358	10	20	DGCD	
O[C@H](CNCc1ccc(N2CC=CC2)cc1)c1ccccc1F	819094789	MGFYGPNPEMDEFT-LJQANCHMSA-N	312.388	3.025	10	20	DGCD	
C[C@@H]1CC[C@@H](C)N1C(=O)c1csc(Cc2ccc(N)cc2)n1	817960289	LRNNLABSDWRTCY-VXGBXAGGSA-N	315.442	3.329	10	20	DGCD	
CC[C@@H](N[C@@H](C)C1(OC)CCOCC1)c1ccc(F)cc1O	817588846	RSNGNSFJZZAJNV-SWLSCSKDSA-N	311.397	3.156	10	20	DGCD	
COc1cc(C)c([C@@H](C)NCCc2ccc(N)cc2)cc1OC	817956343	WSGUKQYMXLYPQH-CQSZACIVSA-N	314.429	3.488	10	20	DGCD	
CCCn1nccc1C(=O)N(CC)Cc1ccc(N(C)C)cc1	824234834	UDSUKIGOMCBFPV-UHFFFAOYSA-N	314.433	3.021	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC3CC(OC(C)C)C3)C2)cc1	822494529	QVEYMKWSQFECHQ-MDCZIUGASA-N	318.461	3.067	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@H]1NCc1cc(Cl)ccc1O	827750341	DZVACLNHLBGYIV-GDBMZVCRSA-N	311.809	3.257	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1Cl	826910442	HWFOUOGKQZVVOJ-VFGMZZLHSA-N	315.866	3.133	10	20	DGCD	
C[C@@H](N[C@@H](c1ccccn1)C1CC1)c1cc([N+](=O)[O-])ccc1O	903335333	NYXABBBKVLYHFJ-PIGZYNQJSA-N	313.357	3.497	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)COC1CCCC1	839917074	YPLLLTJGMJCSTL-HNNXBMFYSA-N	318.461	3.067	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@@H](C)c2ccc(Cl)cc2O)cc1	841744506	OWYOKULIBXVCEK-GTNSWQLSSA-N	321.804	3.438	10	20	DGCD	
CCc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1O	748009641	UNONXAHYUBGIMU-UHFFFAOYSA-N	312.413	3.293	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1SCCCS1	841384751	DHUQVXBKCUJFII-UHFFFAOYSA-N	324.515	3.297	10	20	DGCD	
COCC1CCC(N[C@@H](C)c2cc(C(=O)OC)ccc2O)CC1	840874742	CVXZHCIUQSHWIQ-OPFPJEHXSA-N	321.417	3.035	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H](c2ccnn2C)C1	840911817	SHZXQIBHHKHUTO-QGZVFWFLSA-N	312.461	3.174	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1O	846162069	GHBRTNKMEZBPQD-RNCFNFMXSA-N	321.323	3.463	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCc2cccnc21	927373572	DJWCXFKGLUOMDP-OAHLLOKOSA-N	311.385	3.006	10	20	DGCD	
CCn1nccc1CN[C@@H](C)c1ccc(Br)cc1O	853242009	YYKHZZNWYWMKET-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cccnc1C1CC1	752600227	MDEQRCPFFWKQKH-UHFFFAOYSA-N	322.408	3.473	10	20	DGCD	
CC(C)C[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)CCO1	868479847	LKCUIUHFTXQGDW-QLFBSQMISA-N	320.433	3.346	10	20	DGCD	
CC[C@@](O)(CC(=O)NCc1cc(C)ccc1O)c1ccccc1	862754574	GCOYNYKGTURBGI-LJQANCHMSA-N	313.397	3.005	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]2c2cccn2C)c(O)c1	768197823	NLSZCPFLAVMIJW-KRWDZBQOSA-N	300.402	3.467	10	20	DGCD	
COc1cc(N(C)CC2CCSCC2)cc(OC)c1OC	877180365	TWKJSIKEKYUYKN-UHFFFAOYSA-N	311.447	3.292	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(CC(N)=O)cc1	1117671850	RBEAXLQTMORERM-CZUORRHYSA-N	324.424	3.067	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2CCCOc3ccccc32)s1	779452451	XJXWZADSBYZGHK-BQYQJAHWSA-N	300.383	3.280	10	20	DGCD	
Cc1ccc(CN(C)CC(=O)Nc2c(C)cccc2C)c(O)c1	876537005	JXNLXTMVXVPZID-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
CCN(CC)c1ccc(CNc2nnc3ccccn23)cc1F	771757122	KSDMYJDYBNTKKH-UHFFFAOYSA-N	313.380	3.327	10	20	DGCD	
Cc1ccc(C(=O)NC[C@H](C)Sc2ccccc2)c(O)c1O	770499918	PUZFOFSEUPUIBS-LBPRGKRZSA-N	317.410	3.317	10	20	DGCD	
C[C@@H](NCCN1CCCC(C)(C)C1)c1cc([N+](=O)[O-])ccc1O	774486977	KCAUTQINCGCTJC-CYBMUJFWSA-N	321.421	3.073	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCC(=O)C2CC2)c1	771484987	AMSGYVRNOPVPRG-UHFFFAOYSA-N	310.397	3.111	10	20	DGCD	
C[C@@H]1CN(c2ccc(CN[C@@H]3CC[C@H]3C)cc2F)C[C@@H](C)O1	783220453	DZRQDYINIIXOTA-VMUDFCTBSA-N	306.425	3.327	10	20	DGCD	
CCCCC[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC	789574159	BGVJNNMFIATXFY-ZDUSSCGKSA-N	317.788	3.396	10	20	DGCD	
Fc1cc(CNC23CCC(CC2)C3)ccc1N1CCOCC1	784643980	QEZOPGCPADPULH-UHFFFAOYSA-N	304.409	3.085	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccc(SC)o2)cc1	894443559	DJTGBYMMRXLZCN-UHFFFAOYSA-N	321.398	3.190	10	20	DGCD	
CC[C@H](C)[C@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1	793245226	KFPNELJLELJIHU-YOEHRIQHSA-N	306.450	3.162	10	20	DGCD	
Fc1ccc(-n2nccc2CNCc2ccc3c(c2)CCO3)cc1	792949555	BLCSDRPWFWIRLT-UHFFFAOYSA-N	323.371	3.236	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c(O)c1	792983959	GTZJAGLAUDPVBG-UKRRQHHQSA-N	320.433	3.415	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2NCc1c(O)ccc(Cl)c1F	790966286	HYBBFXVZASLFKH-CYBMUJFWSA-N	321.783	3.450	10	20	DGCD	
CCC/C=C/C(=O)N1CCN(c2ccc(OCC)cc2)CC1	1328624668	UQKHTRHVHJFOMZ-VOTSOKGWSA-N	302.418	3.090	10	20	DGCD	
CCOc1ccc(N2CCN([C@H](C)c3ccccn3)CC2)cc1	1320578764	PWHXAWSBBDXQEQ-MRXNPFEDSA-N	311.429	3.364	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)/C(C)=C(/C)CC)CC2)cc1	1325091837	SSMCCRMOLZQETI-NXVVXOECSA-N	316.445	3.480	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC[S@@](=O)C(C)(C)C	1323829962	AUSOZHZXDAGDGA-SQHYZVFZSA-N	309.475	3.386	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1	1335520678	IIUXSFJEUIURCE-QGZVFWFLSA-N	313.376	3.285	10	20	DGCD	
CC[C@@H]1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])[C@@H]1C	1605173189	YHKVZESUYUIMKR-BVKQBWKVSA-N	304.346	3.317	10	20	DGCD	
CN(Cc1ccnc2ccccc12)c1ccc(OCC(=O)O)cc1	1610125066	UICSDUJUVCAGDH-UHFFFAOYSA-N	322.364	3.335	10	20	DGCD	
Cc1cc(CN2CC[C@H](CCN)C2)ccc1N1CCCCC1	1579598289	NKRYDZIENSQIGM-KRWDZBQOSA-N	301.478	3.156	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CC[C@@H](N)C2)cc1	1577697509	LZRYVTARRGDFPD-DLBZAZTESA-N	317.477	3.009	10	20	DGCD	
CC[C@](CNCc1cccc(C)c1O)(C(=O)O)c1ccccc1	1595168074	PBOUSHGQBLLGDH-LJQANCHMSA-N	313.397	3.223	10	20	DGCD	
COCc1ccc(CN[C@H](C)c2cc(C(=O)O)ccc2O)cc1	1599293028	AQJSIBILBQCEQD-GFCCVEGCSA-N	315.369	3.088	10	20	DGCD	
CCc1cccc(CN[C@H]2C[C@H](C(=O)O)c3ccccc32)c1O	1593642728	UXTBVUBIKVVAPQ-IRXDYDNUSA-N	311.381	3.357	10	20	DGCD	
C[C@@H]1SCC[C@@H]1NCc1cc(Br)cc(F)c1O	715790711	CPEDUIZJLADCJG-CPCISQLKSA-N	320.227	3.277	10	20	DGCD	
Cc1cc(C)nc(NNC(=S)Nc2cccc(Cl)c2C)n1	7556698	DHTRNRWLWAUYTD-UHFFFAOYSA-N	321.837	3.369	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cncc(C)c1	119518246	LWLZNWJTVTXGPA-UHFFFAOYSA-N	313.401	3.217	10	20	DGCD	
C[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc(N(C)C)cc1	126865683	AVIADGJIXNGWFK-AWEZNQCLSA-N	312.417	3.050	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](c2ccccc2)c2ncc[nH]2)cc1F	126431176	NQNGGFZNAYDTKL-SFHVURJKSA-N	324.403	3.494	10	20	DGCD	
CC[C@@H](C)[C@H](O)CN[C@@H](C)c1ccc(Br)cc1O	185439314	DCDALLMHCFBNSC-ISTVAULSSA-N	316.239	3.212	10	20	DGCD	
CCC[C@H](CCO)CNCc1cc(Br)ccc1O	231381527	LYERCYVZUWBDFN-LLVKDONJSA-N	316.239	3.043	10	20	DGCD	
C[C@@H](N[C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1O	186798082	YYJBEATWRPKHHR-GAJTVXKRSA-N	314.223	3.109	10	20	DGCD	
CCn1cc(CN2CCCc3cc(OC(F)F)ccc32)cn1	184748660	DSCZVMJIDMRJAA-UHFFFAOYSA-N	307.344	3.457	10	20	DGCD	
COc1cc(OC)c(CN[C@H](C)c2ccccc2O)c(OC)c1	183430032	OHRUQOPOZUFYIG-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)Cc2cc(OC)ccc2O)C12CCC2	180749172	FXAXBWWGAZKLHM-SJORKVTESA-N	305.418	3.180	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1O	133594537	YNWPWYSUDZLJBI-QWHCGFSZSA-N	317.410	3.191	10	20	DGCD	
C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc(O)c2O)C1	193068821	XBTHQMVMMATXNQ-LJQANCHMSA-N	311.381	3.292	10	20	DGCD	
COc1ccc(CNCc2c(O)cccc2Cl)cc1OC	83551231	AWYVVDMFODCFEZ-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)N2CCCC[C@H]2C)cc1	191586817	OJHNYWHPTRKLBJ-OAHLLOKOSA-N	304.434	3.311	10	20	DGCD	
CCCCO[C@H]1C[C@H](NCc2cccc(OC)c2O)C1(C)C	236866424	WLNICQRQJIHVRJ-HOTGVXAUSA-N	307.434	3.474	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1	237942153	CSVZTGLUKFOHLP-HUUCEWRRSA-N	316.351	3.009	10	20	DGCD	
COC[C@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@@H](C)O1	253295040	MQJZEDXUZGUWAE-GDBMZVCRSA-N	307.434	3.060	10	20	DGCD	
CC(C)[C@@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	264758763	PMYAYQPQDLHKMU-OJXHRBAXSA-N	316.445	3.039	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC[S@]1=O	277334960	CQUXPTYIWGNZKZ-AYLIAGHASA-N	322.257	3.042	10	20	DGCD	
CCOc1cccc(NCc2cccc(OC)c2O)c1[N+](=O)[O-]	273922010	ZVKFOHZQNUDRFK-UHFFFAOYSA-N	318.329	3.320	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCC1(O)CCC1	287717317	DSDNWRNPAHTKLJ-UHFFFAOYSA-N	320.433	3.009	10	20	DGCD	
CC[C@@H](NC[C@H]1COCCO1)c1cc(Cl)cc(Cl)c1O	806132378	VPHMFWBEJMKFCI-GXFFZTMASA-N	320.216	3.155	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@H](N[C@H]2CCc3cccc(O)c32)C1	297867017	ULOIXQVABVBJRO-FQEHYLHMSA-N	307.459	3.049	10	20	DGCD	
CCN(CC)c1ccc(CNC2CCC(CN)CC2)cc1F	817903307	MNSCYRKWMRUPCC-UHFFFAOYSA-N	307.457	3.279	10	20	DGCD	
C[C@H](N)[C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1	817898591	JNDGDXOZNSQFKH-LAUBAEHRSA-N	323.484	3.335	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](N3CCCC3)C2)cc1Cl	824597663	UBLOOAQFWKPONC-OAHLLOKOSA-N	308.853	3.414	10	20	DGCD	
C[C@@H]1CSC[C@H]1NCc1ccc(N2CCSCC2)cc1	823665846	AWEJGEHDJQMMDD-CZUORRHYSA-N	308.516	3.081	10	20	DGCD	
Cc1cc(O)c(CNC[C@@](C)(O)c2ccccc2)cc1Cl	825284031	WPMBOEKSPLUXFM-QGZVFWFLSA-N	305.805	3.351	10	20	DGCD	
CC1CCN(c2ccc(CNC[C@@](C)(O)C(F)F)cc2)CC1	905102395	SJYBPMDXZODUED-QGZVFWFLSA-N	312.404	3.029	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[C@H]1c1ccccc1	827316431	AWXPPPKCIXAOFU-HOTGVXAUSA-N	311.381	3.298	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1[C@@H]2CCCCCC[C@@H]12	831925180	SKSBKYLXADFCDO-BPLDGKMQSA-N	317.429	3.361	10	20	DGCD	
O=C(NOCC1CC1)N(Cc1ccco1)Cc1ccccc1O	838606638	MFCWUNHOCUTPTK-UHFFFAOYSA-N	316.357	3.039	10	20	DGCD	
CC(=O)c1ccc(NC(=S)NNc2c(F)cccc2F)cc1	735626051	NOXYEOIHVFAZED-UHFFFAOYSA-N	321.352	3.481	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ns1	839922804	ZFCCXERZNHOUCQ-GFCCVEGCSA-N	317.458	3.187	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@H](C)c2cccs2)cc1	844353259	JLMCMPFRNJVDCW-GFCCVEGCSA-N	304.415	3.070	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H]2OCCc3ccccc32)c1O	846150981	QYFQLMOCMZLUCR-SCLBCKFNSA-N	313.397	3.365	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CCO)c1cccs1	840934120	MJIAMMLWKVAYRH-INIZCTEOSA-N	304.459	3.336	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c1O	846141985	PRDQTVPKRMWUEC-GFCCVEGCSA-N	318.392	3.457	10	20	DGCD	
Cc1cccc([C@H](C)NC(=O)NCCc2ccc(N)cc2)c1C	841826226	FIEDSYILGYFONN-HNNXBMFYSA-N	311.429	3.489	10	20	DGCD	
CN(C)c1ccc(CN(C)c2ccc([N+](=O)[O-])cc2F)cc1	915212482	WRLUYKJYCCBFHG-UHFFFAOYSA-N	303.337	3.436	10	20	DGCD	
C[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1O	841751994	PWDWZITWMNUHAK-ABAIWWIYSA-N	323.795	3.439	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H](N3CCCC3)CC2)c1O	754742758	ZHOVTYWWEIRNSX-KRWDZBQOSA-N	318.461	3.160	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2CCCN2CC(F)(F)F)c1	926923594	WRWQQGNPDBHZJH-QWHCGFSZSA-N	316.367	3.378	10	20	DGCD	
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2F)sc1C	758169352	PXHVPUSHLCWNLL-UHFFFAOYSA-N	301.364	3.010	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@@H](Oc2cccc(F)c2)C1	753589605	KFQXQKVDLPTODP-OAHLLOKOSA-N	317.360	3.193	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)OC/C=C/Cl)cs2)cc1	751930009	FQLCULXWQMCHAK-LZCJLJQNSA-N	308.790	3.225	10	20	DGCD	
COc1cc(CNC[C@@]2(O)CCC[C@H]2C)c(O)c(C(C)(C)C)c1	850311719	ZJWVGISVZVBLDO-YJYMSZOUSA-N	321.461	3.339	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(F)CCCCC1	935946097	XQQXJBZSLRWPKS-UHFFFAOYSA-N	300.370	3.167	10	20	DGCD	
COC(=O)COc1ccc(N(C)[C@@H](C)Cc2ccsc2)cc1	753592615	ZHKYURYXBSUVIO-ZDUSSCGKSA-N	319.426	3.367	10	20	DGCD	
COc1cncc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)c1	850328224	RLZXUDSUVVYPBB-HNNXBMFYSA-N	313.445	3.185	10	20	DGCD	
C[C@H](NC[C@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1O	756340349	DWWUSEKJJQTFQI-YOEHRIQHSA-N	316.420	3.355	10	20	DGCD	
Cn1cnc(/C=C/C(=O)N2CCc3c2cccc3C(F)(F)F)c1	935387979	PUNQTPJVQPSCSD-AATRIKPKSA-N	321.302	3.041	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccc(C3CC3)nn2)cc1F	865290596	BTUYFWWLRINWPJ-UHFFFAOYSA-N	304.344	3.310	10	20	DGCD	
Cc1csc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)n1	868205348	YSWQFBPIBOBTHU-GHMZBOCLSA-N	305.403	3.279	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC([C@H]3CCCO3)CC2)cc1F	862336934	ONFDNRKKURVMRT-GOSISDBHSA-N	324.415	3.422	10	20	DGCD	
COC[C@@H](CC(C)C)NCc1ccc(N2CCSCC2)cc1	765077272	BOCXQBVHBQWQBA-QGZVFWFLSA-N	322.518	3.391	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2coc(SC)c2)c1	866765637	XWVITJWOLODJBC-SECBINFHSA-N	307.371	3.207	10	20	DGCD	
CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c(F)cc1O	877845630	WCXYEQDFDYBISA-CQSZACIVSA-N	306.724	3.381	10	20	DGCD	
CCN(CCC1CC1)C(=O)NCc1ccc(N2CC=CC2)cc1	760987671	HHEKNCBNKZGJPP-UHFFFAOYSA-N	313.445	3.394	10	20	DGCD	
CC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1	773413240	GLMYPWLZZDWQQZ-XOKHGSTOSA-N	319.449	3.070	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2cc(Cl)cc(F)c2O)C[C@@H]1C	775716687	ZTODSCGMCCKIFV-SMDDNHRTSA-N	314.832	3.489	10	20	DGCD	
CC(C)(C)SCCNCc1ccc(N2CCC(O)CC2)cc1	877016484	GTATXSAGPKJGMR-UHFFFAOYSA-N	322.518	3.269	10	20	DGCD	
O=C(Nc1ccc(Nc2ccccc2)nc1)c1cccc(O)c1O	776344845	XZNRDDHHHQKSPE-UHFFFAOYSA-N	321.336	3.489	10	20	DGCD	
CCC[C@@]1(CO)CCCN1Cc1c(O)ccc(Cl)c1F	775178905	WQXZPUIBPWXANL-HNNXBMFYSA-N	301.789	3.312	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(OC)CCCCC2)c1	775563992	XJSRPQUUPJQFPC-ZDUSSCGKSA-N	321.417	3.179	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H](O)c1cccc(F)c1)c1c(O)cccc1F	886550155	TUBJWYYJKLYKPK-PSVSLLHZSA-N	307.340	3.443	10	20	DGCD	
CCN(CCC[C@H](C)O)Cc1cc(Br)ccc1O	789328591	YAMRSLGYBWGAOD-NSHDSACASA-N	316.239	3.138	10	20	DGCD	
Cc1ccc(C(=O)N(CCc2ccccc2)C2CC2)c(O)c1O	780915208	JUONIYJGRMEODU-UHFFFAOYSA-N	311.381	3.254	10	20	DGCD	
Cc1ccc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)o1	898452497	YZGCQBOGJSXJBI-GOSISDBHSA-N	301.434	3.047	10	20	DGCD	
COc1cc(C)cc(CNCc2ccc(OC(C)C)nc2)c1O	894185361	JUWLANMMCVYBRP-UHFFFAOYSA-N	316.401	3.181	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCC2CCOCC2)c1	798980089	DAWHAWLQRDSZQC-ZDUSSCGKSA-N	321.417	3.175	10	20	DGCD	
CCOC(=O)C1(CNCc2cccc(OCC)c2O)CCCC1	792196949	NJHBMNVHLGNKTF-UHFFFAOYSA-N	321.417	3.004	10	20	DGCD	
CCOC(CCNCc1c(O)ccc(Cl)c1F)OCC	790990909	HBOAGAZIKIWKAE-UHFFFAOYSA-N	305.777	3.064	10	20	DGCD	
CCCCN(CCO)Cc1ccc(N(C)C)cc1C(F)(F)F	792765887	JMQMEMIEEAFMPD-UHFFFAOYSA-N	318.383	3.366	10	20	DGCD	
CCONC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	790930612	BCOABHMBXZCRFV-UHFFFAOYSA-N	306.793	3.358	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H]1CCN1Cc1ccccc1)CC2	716235159	AQBDXASHHYOYIV-ZWKOTPCHSA-N	308.425	3.244	10	20	DGCD	
Cc1cc(C)c(S(=O)(=O)NCc2cc(C)ccc2O)c(C)c1	1328768284	DCYFRXJBMBTKIJ-UHFFFAOYSA-N	319.426	3.104	10	20	DGCD	
C[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)[C@H]1CCN	1326465722	WIIKHYJAHVXZDP-APWZRJJASA-N	301.478	3.236	10	20	DGCD	
CN1CCCC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1	1328783371	LLNQUIRFHFEFSB-SFHVURJKSA-N	301.478	3.108	10	20	DGCD	
CCC[C@@H](C)c1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)n[nH]1	1329333493	DMDNFJKGJYCFGK-BPOWMSRESA-N	315.373	3.376	10	20	DGCD	
C[C@@H](NC(=O)NCCCc1ccc(O)cc1)c1ccccc1O	1330263665	CNBMJFUPPARFNH-CYBMUJFWSA-N	314.385	3.091	10	20	DGCD	
Cc1ccc(CN2CCC(n3cc(Cl)cn3)CC2)c(O)c1	1330641737	YZORURWETBOGFV-UHFFFAOYSA-N	305.809	3.388	10	20	DGCD	
CC[C@H](NCC[C@@H](C)NC)c1cc(Br)ccc1O	1261424272	QIVAIWKJANNZLA-MFKMUULPSA-N	315.255	3.193	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(C2CCCCC2)n1C	1350519345	UPKRMVFWHCZHRT-UHFFFAOYSA-N	300.406	3.205	10	20	DGCD	
CC[C@H]1[C@@H](C)CCN1c1nnc(-c2sccc2O)n1CC	1520737655	ANCZPWNABZGGSH-QWRGUYRKSA-N	306.435	3.357	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCc3cc[nH]n3)c2C)c1	1521851273	JDZJNAOMNIMJDJ-UHFFFAOYSA-N	322.412	3.098	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c(C)n1-c1ccccn1	1471934580	JCQUMRUMNQILKA-QQDQCYIDSA-N	309.413	3.263	10	20	DGCD	
CCn1c(-c2cc(O)c(O)c(OC)c2)nc2cc(C#N)ccc21	155098817	KCKDFSKNMYFLFV-UHFFFAOYSA-N	309.325	3.015	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1	155793820	XPQMQYKLGOIPIV-ULQDDVLXSA-N	312.457	3.466	10	20	DGCD	
CO[C@@H](C1CC1)[C@H](C)NCc1cccc(Br)c1O	388204391	CPNVWVHNSULXRF-LKFCYVNXSA-N	314.223	3.058	10	20	DGCD	
CC[C@@H](C)[C@@H](CNCc1ccc(Br)cc1O)OC	691470248	SSMDHSQSOQRZKY-QMTHXVAHSA-N	316.239	3.305	10	20	DGCD	
C[C@H](NCc1cccc(Br)c1O)[C@@H]1CCCOC1	388942503	GOROMJCEFTXFTJ-CMPLNLGQSA-N	314.223	3.059	10	20	DGCD	
CN(C)c1ccc(CN(C)S(=O)(=O)CC2CCCCC2)cc1	101569294	DKLQXMBSLGOUFB-UHFFFAOYSA-N	324.490	3.095	10	20	DGCD	
CCc1ccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)o1	178017534	KRLCUVXORVGLEX-GHXNOFRVSA-N	320.395	3.231	10	20	DGCD	
Cc1nn(CN(C)Cc2ccc(N(C)C)cc2)c(=S)s1	22366996	VAMHJHZKKCCCGH-UHFFFAOYSA-N	308.476	3.138	10	20	DGCD	
CC[C@@H](COC)N[C@H](C)c1ccc(Br)cc1O	185504261	AJPYKYHAMYWIOL-KOLCDFICSA-N	302.212	3.230	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC(C)(C)C1	186397467	JHWDZMLUXBQINM-GXTWGEPZSA-N	305.418	3.361	10	20	DGCD	
CCCN1CCC(NCc2ccc3c(c2)CCCN3C)CC1	126657569	UCNDHOMFQUOGKS-UHFFFAOYSA-N	301.478	3.033	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@@H](N2CCCC2)CC1	180363398	GYZIBCBBCWZYOV-OAHLLOKOSA-N	308.853	3.496	10	20	DGCD	
C[C@@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N(C)C)cc1	134786013	IXLYGSTUUNFSQQ-RNJTYBCJSA-N	300.446	3.361	10	20	DGCD	
CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1O	48915886	PHOSUMITCAMHFP-HZMBPMFUSA-N	311.809	3.248	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC2CCN(C(C)(C)C)CC2)c1	193929040	YHJNNTJOKWAEEC-ZDUSSCGKSA-N	306.450	3.314	10	20	DGCD	
Cc1c(CNC(=O)N[C@H]2CSC[C@@H]2C)n(C)c2ccccc12	346315768	IPXGXFGNMOYXTD-FZMZJTMJSA-N	317.458	3.037	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2CCSCC2)cc1F	264839699	CXRUBMLFMOMZFL-UHFFFAOYSA-N	324.465	3.431	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@H](O)c1cccc(F)c1	267180341	KANYPYIZICFYJA-SGTLLEGYSA-N	320.383	3.243	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)NCc1c(O)ccc2c1CCCC2	273169425	GQRNITVTMOYMSZ-VQHVLOKHSA-N	322.408	3.304	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc(OC)ccc2O)c(OC)c1	273302353	BSPMFZVYDQLAKT-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
COC1([C@H](C)NCc2c(C)c3ccccc3n2C)CCOCC1	453208620	CLDMGVBEUYAXAN-HNNXBMFYSA-N	316.445	3.160	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCN(C)CC(F)(F)F)c(O)c1	284167109	QFQAAPXVHNOSSC-GFCCVEGCSA-N	304.356	3.154	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cnns1	282951070	XUUQHNIRPSKBDF-UHFFFAOYSA-N	306.391	3.078	10	20	DGCD	
CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(F)ccc1O	289563849	RYMRLTGNKVUHFO-UHFFFAOYSA-N	304.321	3.114	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC1CC(F)(F)C1	291999929	UUBUAVVMXFJVAW-UHFFFAOYSA-N	312.360	3.359	10	20	DGCD	
COc1cccc(CNCc2ccc(OC)c(OC)c2C)c1O	809740176	NRVWATYNCMCILJ-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
Cc1cccc(CNC[C@H](CO)c2ccc(Cl)cc2)c1O	809779035	BJXUZFBYFRHFHM-OAHLLOKOSA-N	305.805	3.220	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc3cc(C)cn3c2)c1	806791469	FRVMHJMECGBPFW-ZDUSSCGKSA-N	324.380	3.453	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NC[C@H]2CCN(C3CC3)C2)c1O	808675594	MNJPYPMPXMDGQZ-QWHCGFSZSA-N	308.853	3.489	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H]3CCC[C@H]4C[C@H]43)C2)cc1	818343190	ZDBCVTHWSVGHJL-SAKMYQHLSA-N	300.446	3.300	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)CCCC3CC3)CC2)cc1	812494906	VKEOBOCKBRTYEF-UHFFFAOYSA-N	316.445	3.361	10	20	DGCD	
CC1(C)CCC[C@]1(O)CNCc1cc(Cl)c(F)cc1O	816641098	IMZMWEXOQLPSCM-HNNXBMFYSA-N	301.789	3.216	10	20	DGCD	
C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCN(C2CC2)C1	824445586	GEJLRVHRGJDNCW-LLVKDONJSA-N	312.816	3.101	10	20	DGCD	
CCOCc1cc(CN[C@H](CC(C)(C)C)C(=O)O)ccc1OC	901806550	RRZNIQIMENFOOH-OAHLLOKOSA-N	323.433	3.211	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N(C)c2ccc(N(C)C)cc2)s1	732738491	SOJAEWSMPZCQFM-KTKRTIGZSA-N	301.415	3.194	10	20	DGCD	
CN(C)CC1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	738074508	AJRSJIITNNMFQI-UHFFFAOYSA-N	320.477	3.169	10	20	DGCD	
CC[C@@H](SC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839920082	KKOUUYJOKDPTEQ-CZUORRHYSA-N	308.491	3.250	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)N(C)C	917930543	UPYMOWMWDPIPJK-UHFFFAOYSA-N	319.474	3.226	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC1CCN(C2CC2)CC1	840893561	LLJQKYUDALDNRL-INIZCTEOSA-N	315.505	3.208	10	20	DGCD	
C[C@@H]1C[C@@H](CN(Cc2ccc(N(C)C)cc2)C2CC2)CCN1	841004175	BNODEOJMHACPAJ-WBVHZDCISA-N	301.478	3.105	10	20	DGCD	
C[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)[C@@H]1CCN	844900685	CQEYFWAGPMEDNQ-GXFFZTMASA-N	300.805	3.134	10	20	DGCD	
Cc1cc(C)c(O)c(CN(Cc2cnn(C)c2)CC(C)C)c1	840157506	WZBMYCWRYAZFIJ-UHFFFAOYSA-N	301.434	3.401	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@H](OC)[C@@H](C)C3)c2c1	840127670	TXNRUTFDYMFGIM-DJJJIMSYSA-N	315.413	3.411	10	20	DGCD	
CCc1cccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1O	848891546	ZYOWWLUIFSRUNE-LPHOPBHVSA-N	314.473	3.403	10	20	DGCD	
CCc1cccc(CNC[C@H](CO)Cc2ccc(F)cc2)c1O	848895522	VYUMBFWJESZKBI-OAHLLOKOSA-N	317.404	3.035	10	20	DGCD	
CCc1cccc(CNC[C@@H](c2cccs2)N(C)C)c1O	848898967	BFYGLBVEYFASSA-HNNXBMFYSA-N	304.459	3.409	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCc1nc(C)c(C)s1	840936633	NEKLXFNQOBUYKD-UHFFFAOYSA-N	303.475	3.467	10	20	DGCD	
Cc1nc[nH]c1CNC(=O)c1sccc1-n1c(C)ccc1C	748406366	OJNCNKQOLOOVPC-UHFFFAOYSA-N	314.414	3.117	10	20	DGCD	
Cc1ccc(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1	840555014	NDRPSOSUUGYHCN-AWEZNQCLSA-N	314.429	3.252	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)NCCC(C)(C)C)cc1	759927366	FSAIRUBWMMNHLO-UHFFFAOYSA-N	306.450	3.462	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)NC(C)(C)CC	753807686	XLOCXJUEVQVIQJ-OAHLLOKOSA-N	319.493	3.268	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)O1	750045479	RKIUDVUBDGTSPN-YGRLFVJLSA-N	311.809	3.248	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCOC3(CCOCC3)C2)c1	756765481	OSTFVSLNOACGPW-LSDHHAIUSA-N	305.418	3.079	10	20	DGCD	
CCOc1ccc(CN[C@H]2CN(C)Cc3ccccc32)c(O)c1	756997767	YPNWAEBPIIGJJW-SFHVURJKSA-N	312.413	3.067	10	20	DGCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)[C@@H](c2ccccc2)CO1	754907765	PCOFYEPJLPPLKY-SMDDNHRTSA-N	303.383	3.056	10	20	DGCD	
COc1ccc(N(Cc2cccs2)C[C@@H]2CCC(=O)O2)cc1	851835993	KOZUSAOPDFYIRP-HNNXBMFYSA-N	317.410	3.469	10	20	DGCD	
C[C@H](NCC1=CCCC1)c1ccc(N2CCOCC2)c(F)c1	850558452	XIJSYCOYRAGBLG-AWEZNQCLSA-N	304.409	3.423	10	20	DGCD	
Cc1ccccc1[C@@H](O)CN[C@@H](C)c1cc(F)cc(F)c1O	756576282	LXPPJZWTGVGGIF-ZBEGNZNMSA-N	307.340	3.363	10	20	DGCD	
CC1=NN(c2ccc(C(=O)NCc3cc(C)ccc3O)cc2)CC1	862760427	SPQRYMBFOPBSBE-UHFFFAOYSA-N	323.396	3.217	10	20	DGCD	
CCN1C(=O)/C(=C\c2ncccc2C(F)(F)F)SC1=S	765499372	INWNGBHQYPRHEL-RMKNXTFCSA-N	318.345	3.322	10	20	DGCD	
CN(Cc1cc(F)c(N(C)C)cc1F)C[C@@H]1CCCC[C@@H]1O	862300426	PBQUXVJSQSOTEH-SJCJKPOMSA-N	312.404	3.014	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769103786	SYWKBABLUTZWBP-AWEZNQCLSA-N	303.406	3.427	10	20	DGCD	
CC[C@H](N[C@H](CCO)CSC)c1cc(Cl)ccc1O	775509694	PCVUEAFJFDQAQZ-YPMHNXCESA-N	303.855	3.200	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C)c2nnc3n2CCC3)cc1C	873010746	OBHFIGJTNDQFAX-AWEZNQCLSA-N	314.433	3.172	10	20	DGCD	
Oc1c(Br)cccc1CNc1cc(C2CC2)ncn1	882268821	CUQSYQVRLWGVKF-UHFFFAOYSA-N	320.190	3.434	10	20	DGCD	
CC[C@H](NCc1cc(Br)cc(F)c1O)C(F)F	883131521	GFDDQGQVRVFRPV-VIFPVBQESA-N	312.129	3.427	10	20	DGCD	
C[C@@H](c1ccccn1)N(C)Cc1ccc(N2CCN(C)CC2)cc1	780893852	UFEFUMMCDROJAE-KRWDZBQOSA-N	324.472	3.026	10	20	DGCD	
COc1cccc2c1CCN(Cc1ccc(N(C)C)c(F)c1)C2	783595544	SBWZCYXZKHSKCC-UHFFFAOYSA-N	314.404	3.459	10	20	DGCD	
CSCCCN(C)Cc1cccc(Br)c1O	798964653	OOLPIVQKMXZWLL-UHFFFAOYSA-N	304.253	3.340	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c(O)c1	796629712	IUBKJIYPCPSNPU-RDBSUJKOSA-N	320.433	3.272	10	20	DGCD	
CN(C)c1ccc([C@H](CNc2cccc(F)n2)N(C)C)cc1	897524601	AEVVXIXPXAFEMD-HNNXBMFYSA-N	302.397	3.002	10	20	DGCD	
O=C(Nc1cc(-c2ccccc2F)no1)c1cccc(O)c1O	790647852	VEQKPPZXLMNZAW-UHFFFAOYSA-N	314.272	3.144	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCS[C@H](C)[C@H]1C	1263010822	JIPBPNTZPALOBK-NXEZZACHSA-N	324.475	3.062	10	20	DGCD	
CCN(C)c1ccc(CN2CCC(C(C)(C)C(=O)O)CC2)cc1	1776855498	DAVCIFWRWHIMRU-UHFFFAOYSA-N	318.461	3.466	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC(C)(C)C1	161736908	DCUJJOSRZVZZDZ-OAHLLOKOSA-N	320.433	3.271	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C)cc(F)c2)c1	152736759	BXKWBPBUAAQPAQ-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccccc1Br	133792309	HYBJWVCWKGITEZ-UHFFFAOYSA-N	306.159	3.085	10	20	DGCD	
COc1cc(CCNCc2c(O)cccc2Cl)ccc1O	114770266	DIXWAZQIKNDHBN-UHFFFAOYSA-N	307.777	3.092	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1CCC1	178537799	XRNXOTYTHZIVLE-OAHLLOKOSA-N	302.462	3.174	10	20	DGCD	
COCCOC[C@H]1CCN(Cc2c(O)ccc3ccccc23)C1	173390819	ZWKAMWXZHVFJKD-HNNXBMFYSA-N	315.413	3.030	10	20	DGCD	
c1csc(SCCCNc2ncnc3c2CCCC3)n1	129195924	JOUNEYBFCGZFDR-UHFFFAOYSA-N	306.460	3.406	10	20	DGCD	
C/C(=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	183433501	WMXRPGZIVVLCJG-UELRPHRMSA-N	311.381	3.249	10	20	DGCD	
C[C@@H]1CC[C@@H](C)N(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	316493613	VYMBFOFIFQBEAV-WAIVJAFWSA-N	304.346	3.317	10	20	DGCD	
CCCN(CC(=O)OC(C)(C)C)Cc1cccc(OCC)c1O	184349739	LDIWPJSDCLOPDH-UHFFFAOYSA-N	323.433	3.345	10	20	DGCD	
CN(C)c1ccc(CNCc2ccnc(N3CCCC3)c2)cc1	75761070	XDDYPRMUTJJUSG-UHFFFAOYSA-N	310.445	3.038	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](CO)Cc1ccccc1	320934949	RZZMOPOJTCGOSW-HYVNUMGLSA-N	311.425	3.442	10	20	DGCD	
CC(C)OCc1cccc(NC(=O)c2cccc(O)c2O)c1	192990825	AJJAWEHQBPMJCK-UHFFFAOYSA-N	301.342	3.275	10	20	DGCD	
COC(=O)Nc1ccc(NCc2cc(OC)ccc2O)cc1	237295234	LGYMVRKJJHGGDF-UHFFFAOYSA-N	302.330	3.191	10	20	DGCD	
CCOC[C@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)CCO1	530105984	JZYCMNUBHONWJN-MRXNPFEDSA-N	321.461	3.235	10	20	DGCD	
COc1ccc(O)c(CNC2(c3noc(C)n3)CCCCC2)c1	271836417	FVVNZEGCXCXPHE-UHFFFAOYSA-N	317.389	3.041	10	20	DGCD	
CCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	372551684	DQKZKFJTLXUFKO-UHFFFAOYSA-N	312.360	3.173	10	20	DGCD	
CC[C@@H](NCCCN1CCCCC1=O)c1cccc(Cl)c1O	806138645	YQONCNVUGPABEE-OAHLLOKOSA-N	324.852	3.489	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H]2CCN(c3ccccc3F)C2)c1	291717046	MDDDJBDNKJKCMO-OAHLLOKOSA-N	300.377	3.208	10	20	DGCD	
COc1cc(O)c(CN[C@H]2c3ccccc3O[C@H]2C)cc1OC	290185641	ODYIWZRXDVANIR-BBATYDOGSA-N	315.369	3.021	10	20	DGCD	
COc1cc(N2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OC	291141790	NZPIKNVAFYYEIS-VIFPVBQESA-N	316.304	3.094	10	20	DGCD	
CC[C@H](N[C@H]1CCCNC1)c1ccc(Cl)c(Cl)c1O	817940844	LGBILDZLUCIXJL-CABZTGNLSA-N	303.233	3.492	10	20	DGCD	
CC[C@H](NC[C@@H]1CCCN1)c1ccc(C(F)(F)F)cc1O	817953811	RSMBPXVOTJZVLA-AAEUAGOBSA-N	302.340	3.204	10	20	DGCD	
CCCC[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819591493	SNSCOLOOUXAYCL-CVEARBPZSA-N	318.461	3.464	10	20	DGCD	
COc1ccc(N2CCC(NCc3csc(C)n3)CC2)cc1	726606740	QJOVDTMGIONVSB-UHFFFAOYSA-N	317.458	3.219	10	20	DGCD	
CC[C@H]1C[C@H](NC2CCN(c3ccc(OC)cc3)CC2)CCO1	823757189	IPGZCAOENTUNEK-AEFFLSMTSA-N	318.461	3.211	10	20	DGCD	
CN(C)c1ccc(/C=C/CN2CCCC[C@H]2CCC(=O)O)cc1	901998806	YYZOBSGVJUYYRB-QWNKOJSDSA-N	316.445	3.485	10	20	DGCD	
CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(O)cs1	731863873	IFKIDZVDWDSBOA-UHFFFAOYSA-N	311.790	3.258	10	20	DGCD	
CC[C@@H](N[C@H](c1nncn1C)C(C)C)c1ccc(N(C)C)cc1	903062829	XPEPAWJOHXAIOO-SJORKVTESA-N	315.465	3.319	10	20	DGCD	
CC(C)[C@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1	735328368	QHBSZZYIFSZLTP-QGZVFWFLSA-N	303.450	3.473	10	20	DGCD	
CCOc1cc(CN(C)c2ccc3c(c2)OCO3)ccc1O	839004066	NNFBTHIHIPYAJQ-UHFFFAOYSA-N	301.342	3.156	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@H]1CCc2cccc(O)c21	834761967	WLKBWKVIZWWGOX-HOCLYGCPSA-N	301.386	3.210	10	20	DGCD	
O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(O)cs1	732263234	MAQMXMCEXVBPEB-UHFFFAOYSA-N	317.288	3.282	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@@H](C)N(C)C)c1C	914879621	NVLVZZWYJFHQBV-OAHLLOKOSA-N	313.445	3.082	10	20	DGCD	
c1csc(SCCCNCc2ccc3c(n2)CCC3)n1	838962090	HDKIZSRUXCCNEC-UHFFFAOYSA-N	305.472	3.299	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@H]3[C@H](C2)C3(C)C)cc1	743551909	HUYIJSYHNTYQBH-IRXDYDNUSA-N	315.461	3.330	10	20	DGCD	
COc1cccc(O)c1CN1CC2(CCOCC2)[C@H]1C(C)C	840970355	PWVBQPIRAZDRMB-QGZVFWFLSA-N	305.418	3.038	10	20	DGCD	
CCOc1ccc([C@@H]2NC(=O)c3c(Cl)cccc3N2)c(O)c1	742444437	KTSSTUWKZCJCPR-HNNXBMFYSA-N	318.760	3.298	10	20	DGCD	
O=C(Nc1cccc(Oc2cccnn2)c1)c1cc(O)cs1	748350568	NDAHBJSHLLLZOL-UHFFFAOYSA-N	313.338	3.288	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1nc2c(s1)CCCC2	843058195	OGYQJIZRISJOFX-UHFFFAOYSA-N	313.470	3.433	10	20	DGCD	
Nc1ccc(Cc2noc(-c3cccc([C@H]4CCOC4)c3)n2)cc1	843158242	AJIANSUTYHUYSM-INIZCTEOSA-N	321.380	3.414	10	20	DGCD	
Cc1ccccc1NC(=O)[C@H](C)N1CCCc2cc(CN)ccc21	843350189	OOZXFDIWAICQBI-HNNXBMFYSA-N	323.440	3.234	10	20	DGCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F	742523962	IQPKVYVEXTYHFG-LLVKDONJSA-N	314.351	3.442	10	20	DGCD	
C[C@@]1(CNCc2cc(Cl)cc(Cl)c2O)CCCNC1	841057060	LMESZRQPRFFPKD-CQSZACIVSA-N	303.233	3.178	10	20	DGCD	
C[C@H](NC[C@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1O	756351120	IXGQVMKBMJNTDE-IINYFYTJSA-N	310.344	3.217	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1O	926919822	GCACKIPEOJFHFH-ZYHUDNBSSA-N	320.330	3.209	10	20	DGCD	
Cc1cc(Br)c(O)c(CNCCc2ccoc2)c1	850376942	PBFAYKJZRWDYKF-UHFFFAOYSA-N	310.191	3.388	10	20	DGCD	
COc1cc(CNCCCn2cccn2)c(O)c(C(C)(C)C)c1	850023295	IJRCZXANAOXJBD-UHFFFAOYSA-N	317.433	3.075	10	20	DGCD	
CC(C)[C@@H]1OCCC[C@@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756736362	MZBOTCYMNMUVDP-AHIWAGSCSA-N	322.405	3.402	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2coc(C=O)c2)cc1	929536347	AICXNDMSYZRSIG-UHFFFAOYSA-N	314.385	3.211	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](CO)Cc2ccco2)c(O)c1C	756660717	ORAUSAWRCQRFOA-CABCVRRESA-N	303.402	3.104	10	20	DGCD	
CN(CCNCc1cc(-c2ccccc2)ccc1O)CC(F)F	858336397	GMEWDPBEUBMJID-UHFFFAOYSA-N	320.383	3.346	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@@H](C)c2cc(F)cc(F)c2O)c1	756563013	KXGMJTGNTKLQFY-QFYYESIMSA-N	323.339	3.063	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccnc2O)cc1	751397837	BBCFWTIAWDLHGE-UHFFFAOYSA-N	307.353	3.447	10	20	DGCD	
Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccccc2O)c1C	751151652	TUJKQOHRPMVCRE-UHFFFAOYSA-N	319.426	3.104	10	20	DGCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]2CCCC[C@H]12	768439147	ILEWYCVLSXVEGR-BQUDOFGOSA-N	317.429	3.219	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2ccc(F)cc2F)cc1OC	768442653	YFBGJVLTMDDWJC-UHFFFAOYSA-N	323.339	3.320	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2ccc[nH]2)cc1	760308819	WNJROKPZXFJKQF-AWEZNQCLSA-N	314.433	3.421	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCCC1CCOCC1	877592231	MKVACXSXJXOZRC-INIZCTEOSA-N	304.478	3.398	10	20	DGCD	
CC(C)(O)C1CCN(Cc2cc(Cl)cc(F)c2O)CC1	877753645	ISXJJMIZEKVFAN-UHFFFAOYSA-N	301.789	3.168	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1O	879649163	KBBIKOKXJJCUHR-CVEARBPZSA-N	324.424	3.205	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@H]1CCc2cccnc2CC1	877612287	GPFPPLLKYCWUCN-HNNXBMFYSA-N	302.805	3.478	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@@H](OCc2ccccn2)C1	877645245	FRZGYXDBXWMHPX-MRXNPFEDSA-N	318.804	3.232	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2cccnc2[N+](=O)[O-])cc1	886171662	LFGZKZNLGCFLTN-UHFFFAOYSA-N	301.346	3.413	10	20	DGCD	
CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776244457	JKNCGHGCYLYRTB-YOEHRIQHSA-N	319.449	3.024	10	20	DGCD	
CC(C)C(C)(C)CNCc1ccc(N2CCN(C)CC2)cc1	782534437	CYCIGDBAPMIRBN-UHFFFAOYSA-N	303.494	3.210	10	20	DGCD	
Cc1ccc(C[C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c(C)c1	789975729	CGPKFASVACPWSH-GFCCVEGCSA-N	317.360	3.215	10	20	DGCD	
COc1ccc(N(CCC(C)C)CC(=O)Nc2ccon2)cc1	796506200	VICKZCODVPVSIH-UHFFFAOYSA-N	317.389	3.174	10	20	DGCD	
CCOC(=O)[C@@H](C)N(Cc1c(O)ccc(Cl)c1F)C1CC1	792180669	RNBRAQYXJGOWMQ-SECBINFHSA-N	315.772	3.101	10	20	DGCD	
CC(C)(CCO)NCc1cc(Cl)cc(Br)c1O	708097927	ARUHKSBZTQCMPQ-UHFFFAOYSA-N	322.630	3.059	10	20	DGCD	
O=C1CCN1c1cccc(NCc2cc(Cl)ccc2O)c1	790485391	FTHCUXHLXCVGID-UHFFFAOYSA-N	302.761	3.394	10	20	DGCD	
C[C@@H](CN[C@H](C)c1ccc(N(C)C)cc1)CC1(C)OCCO1	715951579	DYKRTXZCZBCPIQ-HUUCEWRRSA-N	306.450	3.192	10	20	DGCD	
CCN(CC)C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1319828786	NACDEQGARIKQRX-IBGZPJMESA-N	315.505	3.451	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1c(Cl)nc(OC)n1C	1319716472	RBPLLSCLKMDQMZ-UHFFFAOYSA-N	323.824	3.200	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1	1338730534	BKSYPNTUUWPEIM-PKOBYXMFSA-N	323.440	3.479	10	20	DGCD	
CON(C[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N)cc1	1335737008	JJDFKWWZAHTEGK-ZFWWWQNUSA-N	305.422	3.168	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCC[C@@H](F)C2)c(C)n1-c1ccccn1	1261499187	DPJJFPWBAZSBPJ-HUUCEWRRSA-N	315.392	3.500	10	20	DGCD	
Cc1cc(O)c(CNc2cnc3c(c2)C[C@@H](N)CC3)c(Cl)c1	1579638445	XLYRZRSEEZTYCY-LBPRGKRZSA-N	317.820	3.177	10	20	DGCD	
O=C(O)C12CC(CNCc3ccc(N4CCCCC4)cc3)(C1)C2	1777601283	XUOYTRZUPWSCPR-UHFFFAOYSA-N	314.429	3.021	10	20	DGCD	
CS[C@@H](C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	152875649	XDMOSKQDGQTBDF-ZFWWWQNUSA-N	323.458	3.041	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CCN(C)[C@H](C)C3)cc2)CC1	157493458	NUGQZINKDMDWMR-MJGOQNOKSA-N	315.505	3.495	10	20	DGCD	
Cc1ccnc(N(C)Cc2ccccc2O)c1Br	804577641	FWBGUQPYLUPJPY-UHFFFAOYSA-N	307.191	3.495	10	20	DGCD	
Cc1cnc(CNCc2ccc(Br)cc2O)s1	691439269	CTWSQJWTWPZJDR-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@@H](O)c1ccc(C#N)cc1	305056790	CUMYGJFMKFCUIZ-LJQANCHMSA-N	310.397	3.209	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)Cc2ccc(O)cc2)c1	185351687	KWUXTIZIGNFHSQ-STQMWFEESA-N	301.386	3.388	10	20	DGCD	
CCCCN(Cc1cc2c(cc1O)OCO2)CC(F)(F)F	77441494	BSHVFNFUODRMEC-UHFFFAOYSA-N	305.296	3.285	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1	184912544	PGFJTRQWEVZCGE-OAGGEKHMSA-N	320.477	3.239	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(Cl)c1F	120500710	ZRNBOJBSBPAQCT-UHFFFAOYSA-N	321.783	3.212	10	20	DGCD	
Oc1ccc(F)cc1CN1CCSC[C@@H]1c1nccs1	186662884	OIUKRYUSRVIOKE-GFCCVEGCSA-N	310.419	3.278	10	20	DGCD	
CN(C)c1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1	185639326	QUDSLLQAIAREKA-UHFFFAOYSA-N	310.441	3.236	10	20	DGCD	
C[C@@H](N)CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	193306306	JAMKRERVXWQGHB-OAHLLOKOSA-N	317.477	3.199	10	20	DGCD	
Cc1csc(C2(NC(=O)Cc3ccc(N)cc3)CCCC2)n1	237627023	HQHGMVPJLHYOAZ-UHFFFAOYSA-N	315.442	3.162	10	20	DGCD	
COCc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	273299365	AYJQQIGAMLNOAE-GFCCVEGCSA-N	316.357	3.298	10	20	DGCD	
CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(N(C)C)cc2)n[nH]1	276761889	AJBJELKEGXWRSW-CHWSQXEVSA-N	301.438	3.235	10	20	DGCD	
CCOCc1cc(CNCC(C)(C)CCCO)ccc1OC	271434285	BPLLVARQBXWMOA-UHFFFAOYSA-N	309.450	3.120	10	20	DGCD	
Oc1c(Cl)cccc1CNCc1ccnc(N2CCCC2)c1	289983641	BUZCWFLOYSLESD-UHFFFAOYSA-N	317.820	3.331	10	20	DGCD	
CC[C@@H](NC[C@H](O)c1cccc(F)c1)c1ccc(F)cc1O	285890134	CFGZYUGQXSJKTC-WBVHZDCISA-N	307.340	3.445	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCCCC1)c1ccc(C)cc1O	280207916	TXKWLLOXJFGKOI-INIZCTEOSA-N	304.434	3.144	10	20	DGCD	
CC[C@@H](NCCOC[C@H]1CCCO1)c1cccc(Cl)c1O	806139911	SHJBMRTVBSBTEF-IUODEOHRSA-N	313.825	3.282	10	20	DGCD	
O=C(NCc1ccccc1O)NC[C@@H](c1ccccc1)C1CC1	294077960	CFMUNTAVLSCFDF-KRWDZBQOSA-N	310.397	3.385	10	20	DGCD	
CC(C)SCCNC(=O)NCc1c(O)ccc2c1CCCC2	806008219	COWVIDAZDXMZKK-UHFFFAOYSA-N	322.474	3.212	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CC(C)(C)C)NC	395688431	SAIWHLDQJMNDLT-KRWDZBQOSA-N	319.493	3.125	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C(C2CCC2)C2CCC2)c1	802785034	YRBVYUAKXAFPCB-UHFFFAOYSA-N	303.402	3.233	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1cc(C)on1	802029491	MUUNSADUFDMINH-UHFFFAOYSA-N	317.389	3.201	10	20	DGCD	
OCC[C@H](NCc1cc(Cl)c(F)cc1O)c1cccs1	816552498	NZTXHBPZQBNBJU-LBPRGKRZSA-N	315.797	3.460	10	20	DGCD	
COc1ccc(O)c(CN2C[C@@H]3CCCN3Cc3ccccc32)c1	811508490	SEQICDXBZGRDAN-KRWDZBQOSA-N	324.424	3.385	10	20	DGCD	
COc1ccc(CNC[C@@H](CC2CCCC2)C(=O)O)cc1C	900082954	BMSZQCDOTINQRE-MRXNPFEDSA-N	305.418	3.374	10	20	DGCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)c1ccc(F)cc1F	732353776	VECMPQRXACWCRO-ZETCQYMHSA-N	312.293	3.160	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(CF)cc1	822943537	ZSKDPCZNWWLQEZ-UHFFFAOYSA-N	314.360	3.245	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1csc(C)n1)CCC2	839655135	SEUWTULPOSWUQU-UHFFFAOYSA-N	304.415	3.422	10	20	DGCD	
CCN(CC(=O)NC1CCCCCC1)c1ccc(OC)cc1	746109064	IOVGTWDGCHOVJL-UHFFFAOYSA-N	304.434	3.361	10	20	DGCD	
CCOc1cccc(CN[C@@H](CCO)c2ccccc2F)c1O	842762096	ATIFEWZBJPDIJB-INIZCTEOSA-N	319.376	3.143	10	20	DGCD	
CCOc1cccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c1O	840956308	MZDRRYOQHOLTIV-IRXDYDNUSA-N	313.397	3.099	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](CC(C)C)OC)cc1	841065917	UYYJYPXFXUQEIF-QGZVFWFLSA-N	306.450	3.210	10	20	DGCD	
CCc1c(NC(=O)Nc2ccc(N)cc2)cnn1CC(C)C	841297132	ANAXLHIPGJZNOL-UHFFFAOYSA-N	301.394	3.328	10	20	DGCD	
CC/C(C)=C(/C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856213011	URJPESRRFGZFIU-PFONDFGASA-N	316.445	3.010	10	20	DGCD	
OC1CCN(c2ccc(CNc3ncc(Cl)s3)cc2)CC1	853955485	PEDVAZOAFSNXRD-UHFFFAOYSA-N	323.849	3.370	10	20	DGCD	
Cc1cc(CNCc2ccc(CO)o2)c(C)n1-c1ccccc1	858292870	GZDGITJWLUKLCB-UHFFFAOYSA-N	310.397	3.469	10	20	DGCD	
COc1ccc2c(c1)CCCN2C[C@@H](O)CCc1ccccc1	754008974	JJQIXAJEKDUZHE-SFHVURJKSA-N	311.425	3.442	10	20	DGCD	
Cc1ccc2c(c1)SCCCN2C(=O)/C=C\c1cn(C)cn1	936039353	KNLXPAQNBARNFM-ALCCZGGFSA-N	313.426	3.271	10	20	DGCD	
COc1ccccc1OCCN[C@@H](C)c1ccc(N(C)C)cc1	764587812	CDAFBNUZEYZDIE-HNNXBMFYSA-N	314.429	3.491	10	20	DGCD	
CC[C@@H](NC[C@H](CO)Cc1ccco1)c1ccc(N(C)C)cc1	768840609	GEYFIHMLWAIKQU-DNVCBOLYSA-N	316.445	3.238	10	20	DGCD	
CN(CC(=O)NCCCC1CCCCC1)c1ccc(N)cc1	863557777	UMWAPWCLULFNQY-UHFFFAOYSA-N	303.450	3.182	10	20	DGCD	
CC1CCN(c2ccc(CNc3ccc(F)nn3)cc2)CC1	865528237	WTMVALCTPYGQIF-UHFFFAOYSA-N	300.381	3.464	10	20	DGCD	
OCCC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	768236200	AULFDCFAZRESCK-UHFFFAOYSA-N	302.462	3.271	10	20	DGCD	
COc1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1C	864015574	HIFSNKKJQRKRNL-UHFFFAOYSA-N	312.413	3.469	10	20	DGCD	
CN(CC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)cc1	1116898076	CPMKYPUSEDOZFZ-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
C[C@@H](NC[C@H]1C[C@@H](N)C1)c1ccc(N2CCCCCC2)cc1	873253918	HGFRNBMXBSEUNO-NUJGCVRESA-N	301.478	3.455	10	20	DGCD	
C[C@H]1Cc2ccccc2N1C(=O)CN[C@H](C)c1ccccc1O	879648028	WFZCLIXRWVWLAS-UONOGXRCSA-N	310.397	3.021	10	20	DGCD	
C[C@H](NC(=O)c1ccc2cc[nH]c2n1)c1ccc(N(C)C)cc1	775408726	BIUDNMFYMURJRD-LBPRGKRZSA-N	308.385	3.120	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1cccc2cccnc12	772773106	BISXZQZEZAUBFR-VQHVLOKHSA-N	321.332	3.403	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1	773802505	VOBBRSHYHXSQIZ-VQIMIIECSA-N	312.461	3.422	10	20	DGCD	
C[C@H](NCCCCC1(C)OCCO1)c1ccc(N(C)C)cc1	774383943	MZLCXTXRSGJKSK-HNNXBMFYSA-N	306.450	3.337	10	20	DGCD	
C[C@H]1[C@H](C)CCCN1Cc1ccc(N2CCN(C)CC2)cc1	775669177	TVXKLQOKJXQTTE-SJORKVTESA-N	301.478	3.059	10	20	DGCD	
C[C@H](NCc1cccc(N2CCOC2=O)c1)c1ccccc1O	783504911	OUDMKQRRPGJGHB-ZDUSSCGKSA-N	312.369	3.200	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1	882706751	ZGXNAYKRMNYEQW-HOCLYGCPSA-N	321.373	3.138	10	20	DGCD	
Cc1cccc(O)c1CN1CC(c2nc(-c3ccccc3)no2)C1	897319664	UGDMAKDLYVZQLL-UHFFFAOYSA-N	321.380	3.350	10	20	DGCD	
CCN1CC(=O)N[C@H]1c1cc(C(C)(C)C)cc(C(C)(C)C)c1O	788688547	BYVDJGKDLVPQIH-QGZVFWFLSA-N	318.461	3.438	10	20	DGCD	
COc1ccc(CN2CCc3cc(C)ccc3C2)c(O)c1OC	893980233	HXEXKKKMCXIEQK-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
C[C@H]1CN(c2ccccc2F)CCN1Cc1cc(F)ccc1O	789588353	BHMSGBAPLDPBKD-ZDUSSCGKSA-N	318.367	3.381	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C)cc(OC)c2O)cc1OC	894461155	BHQHEMRFLZXWQW-UHFFFAOYSA-N	317.385	3.363	10	20	DGCD	
CCn1ncnc1CN[C@H](C)c1cc(Cl)c(Cl)cc1O	794832856	CFXKMTZWDHSHSW-MRVPVSSYSA-N	315.204	3.161	10	20	DGCD	
Cc1ccc(O)c(CN[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1	701856658	VQAIPOPOQCCSEQ-GOSISDBHSA-N	320.433	3.190	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1Cc2ccc(F)cc21	793515570	OOHKDZHBJIRGGM-SFHVURJKSA-N	312.388	3.156	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CCC[C@@H](F)C3)cc2)CC1	1333368882	NJFGHPBGTNPFPA-HZPDHXFCSA-N	306.425	3.018	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@H](c3ccccc3)C2)cc1	1338793706	SKTPNLHQGUSSOC-KRWDZBQOSA-N	309.413	3.358	10	20	DGCD	
C[C@@H](NCc1ccc2ccccc2n1)c1cc(C(=O)O)ccc1O	1604347014	XGAPGWGTIDFSCD-GFCCVEGCSA-N	322.364	3.489	10	20	DGCD	
CCN(C)c1ccc(CNC[C@H]2CC[C@H](C(=O)O)CC2)c(C)c1	1776856568	ZKFNQMDWWDYCFL-WKILWMFISA-N	318.461	3.432	10	20	DGCD	
Oc1cc2c(cc1CN(C[C@H]1CCOC1)C1CC1)CCCC2	159831302	FIADSWTXOYEABR-CQSZACIVSA-N	301.430	3.272	10	20	DGCD	
Cc1cccc(CN[C@]2(C)CCN(Cc3ccccc3)C2)c1O	406151552	WFRFEAQHYKMROH-HXUWFJFHSA-N	310.441	3.455	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@H](C)C2)c1	114591428	DWILBUURJXOVIT-QWHCGFSZSA-N	306.406	3.026	10	20	DGCD	
C[C@H](NCC1(C)OCCO1)c1ccc(N2CCCCCC2)cc1	179575482	LEJLTWJKCRMSNU-INIZCTEOSA-N	318.461	3.481	10	20	DGCD	
COC(=O)c1cccc(CN2CCCc3cc(OC)ccc32)c1	27959786	CUGPTPOBGMLHFN-UHFFFAOYSA-N	311.381	3.435	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccoc1	178538654	LOBAYMWKTTZVBX-OAHLLOKOSA-N	314.429	3.339	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C1(C)CC1	120998275	DMJNVGOKSQNHPB-UHFFFAOYSA-N	312.207	3.303	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)c1ccccc1	183426646	HOWWJFPBKPAZOJ-KGLIPLIRSA-N	313.397	3.339	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(Cl)c1	183449722	KNLUAPIBSNPKJX-LLVKDONJSA-N	319.788	3.041	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCC(=O)NC2CCCCC2)c1	185090983	BURWSRRPSKHHHF-CQSZACIVSA-N	304.434	3.190	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NC2CCOCC2)c1O	187031176	QJUDMCUNIIQXIR-JTQLQIEISA-N	314.223	3.293	10	20	DGCD	
COc1cc(C)sc1C(=O)NCc1ccc(N(C)C)c(F)c1	70810717	VMXQSUKFVLNVFC-UHFFFAOYSA-N	322.405	3.200	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)CCO2	45140987	FPLRGHYPLGZDFG-UHFFFAOYSA-N	324.424	3.350	10	20	DGCD	
CC[C@H]1CO[C@H](C)CN1Cc1cccc(Br)c1O	131495420	KTZRSXYOOLSPHH-PWSUYJOCSA-N	314.223	3.154	10	20	DGCD	
CCOCCOCCN(C)Cc1cc(Cl)cc(Cl)c1O	191568462	IPNGSHXUWXRSMX-UHFFFAOYSA-N	322.232	3.184	10	20	DGCD	
O=C(Cc1ccc2ccccc2c1)NCCc1ccc(O)c(O)c1	98076923	USGFAIFRUYOXKO-UHFFFAOYSA-N	321.376	3.152	10	20	DGCD	
Cc1ccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)cc1	255396056	WKFDQDIQCYCMES-JYRVWZFOSA-N	316.407	3.384	10	20	DGCD	
C[C@H](NCc1cnnn1C)c1ccc(N2CCCCCC2)cc1	287233675	GWCUUHDGVVNWMG-HNNXBMFYSA-N	313.449	3.046	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C2CC2)C(F)(F)F)c1	287231340	GQWXBFYLIZYQLZ-ISVAXAHUSA-N	317.307	3.170	10	20	DGCD	
CC[C@](C)(OC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	280769239	ROTCXBGWSWJRBI-IBGZPJMESA-N	318.461	3.354	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCOCC23CCCC3)c1O	388683182	JDNUCNACGKCDHY-UHFFFAOYSA-N	323.820	3.393	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C)CO[C@@H]2CCOC2)c1O	808702514	YAOCAYZNDPDZHY-MBNYWOFBSA-N	313.825	3.199	10	20	DGCD	
CC(=O)CCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	299230587	DKIUQMSIQRJUID-UHFFFAOYSA-N	302.418	3.003	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CN1CCC(C)CC1	801548128	NZSLYFZLJCHTCF-UHFFFAOYSA-N	318.461	3.253	10	20	DGCD	
CC[C@@H](NCCCNc1ncccn1)c1cccc(Cl)c1O	806143629	LTBIPQSEYMQJIM-CQSZACIVSA-N	320.824	3.379	10	20	DGCD	
N[C@@H](CCC(=O)NCc1ccccc1O)CC1CCCCC1	818212810	BVGZOWYBAVMXJO-INIZCTEOSA-N	304.434	3.086	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)c3ccco3)C2)cc1	818344637	PMWYQEMDVSGDOX-CABCVRRESA-N	300.402	3.465	10	20	DGCD	
CCCCN1CCCC[C@@H]1CNCc1ccc2c(c1)CCO2	729682745	GIQJWAWIEXTYOU-GOSISDBHSA-N	302.462	3.366	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1C[C@H]2CC[C@H]1C2	588403640	SVJZMSYVKSULNK-KHEFGHOISA-N	301.386	3.052	10	20	DGCD	
CS[C@@H]1CCN(Cc2cccc(Br)c2O)C1	824683864	XUAVEUUHOUGPPQ-SNVBAGLBSA-N	302.237	3.092	10	20	DGCD	
CCOc1ccc(O)c(CN(C)Cc2cc(C(=O)O)c(C)o2)c1	833662362	CQOVRWKWSRVRLF-UHFFFAOYSA-N	319.357	3.023	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C)C[C@H]2C(=O)O)cc1F	902013374	ALXPXYXNNYXQRS-DYVFJYSZSA-N	322.424	3.357	10	20	DGCD	
c1ccc(CC2CN(Cc3ccc(N4CCOCC4)cc3)C2)cc1	839127179	ABCLZBVMLLGSJS-UHFFFAOYSA-N	322.452	3.198	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCc2ccccc2C1	846475227	AGPZOVKZLIGRAC-CQSZACIVSA-N	315.800	3.467	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CCCN)c2ccccc2)cc1F	841088036	XJKHWUWTNAHAES-SFHVURJKSA-N	315.436	3.462	10	20	DGCD	
CN(C)c1ccc(CN(c2ncc(Cl)cn2)C2CC2)cc1	748272981	BLVILRBZXZPOMI-UHFFFAOYSA-N	302.809	3.365	10	20	DGCD	
Cc1cc(O)c(CN(C)C[C@@]2(O)CCc3ccccc32)cc1C	842621967	FNTQLKGWOMARRR-FQEVSTJZSA-N	311.425	3.275	10	20	DGCD	
CCc1ccc(O)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	748829509	HQKHEYDJGOOBLJ-UHFFFAOYSA-N	312.413	3.293	10	20	DGCD	
COc1ccc(C2(NCc3ccccc3O)CCOCC2)cc1	742373335	VFQZXXHURAFMTB-UHFFFAOYSA-N	313.397	3.196	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)c2c(F)cncc2F)c1O	846173242	QAJRRMLJFGCBBL-VHSXEESVSA-N	308.328	3.486	10	20	DGCD	
CC(C)n1cc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cn1	756575916	RFCAOSBVUTYNAW-NWDGAFQWSA-N	318.377	3.490	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)[C@@H](O)c1ccc(F)cc1	921747980	CASVHSIBFGGQNQ-BFUOFWGJSA-N	315.388	3.362	10	20	DGCD	
CCC1(CC)CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	755866270	FLABGTSLQDODEM-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
CC(C)(F)CCNC(=O)NCc1c(O)ccc2c1CCCC2	852552334	QXZMFCQFUFIFPG-UHFFFAOYSA-N	308.397	3.208	10	20	DGCD	
C[C@H](C[C@H](O)c1ccco1)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756678105	UWHLHIGWZHVGGI-HFAKWTLXSA-N	320.345	3.056	10	20	DGCD	
CN1CCCC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1	858245102	NDDVRXQVJQQRBP-IBGZPJMESA-N	315.505	3.498	10	20	DGCD	
C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCS1	755275117	PCOSWHNGXLYYCO-UONOGXRCSA-N	321.490	3.351	10	20	DGCD	
C[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cccc(O)c1	935465835	UFANMQWCVMZQRC-UONOGXRCSA-N	312.413	3.439	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1c(F)cncc1F	868605476	DUEQUWQSGPLIDF-ZJUUUORDSA-N	321.327	3.187	10	20	DGCD	
CCCN(C)C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	769506119	ATVQBAWNTNGSMX-INIZCTEOSA-N	307.457	3.055	10	20	DGCD	
Cc1ncsc1CN(C)Cc1cc(F)c(N(C)C)cc1F	862238858	MPHGSUJEEWBGSU-UHFFFAOYSA-N	311.401	3.428	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(CCN[C@@H](C)c2ccc(N(C)C)cc2)C1	764949797	NCRPNDZVCFRONX-BBWFWOEESA-N	303.494	3.381	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H](OCC3CC3)C2)c1O	777553531	FEIJWUSTADMWPI-INIZCTEOSA-N	305.418	3.100	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCN1CCCCC1=O	1116585287	WLZRCMFHLVFCRD-CABCVRRESA-N	316.445	3.241	10	20	DGCD	
Cc1ccc(CNC[C@@H](O)Cc2cccc(Cl)c2)c(O)c1	877811502	MCSJVACFWBJJIJ-INIZCTEOSA-N	305.805	3.047	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCc2nc(C)no2)cc1	772958425	GOQPRPAYELNBIV-CYBMUJFWSA-N	302.422	3.118	10	20	DGCD	
C[C@@H](N[C@@H]1CCn2ccnc2C1)c1cc2c(cc1O)CCCC2	779065652	NIIHTIUEYCAFNR-CZUORRHYSA-N	311.429	3.133	10	20	DGCD	
Cc1ccc(CN2CCc3nc(C(C)(C)C)ncc3C2)c(O)c1	877650746	UIVZXLHKFPIZIK-UHFFFAOYSA-N	311.429	3.346	10	20	DGCD	
Cc1cccc(C)c1OC[C@@H](O)CN[C@H](C)c1ccccc1O	775128388	AQLKTRORXNZVNL-CVEARBPZSA-N	315.413	3.100	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCC[C@@H](C)CC2)c1O	775106818	KHWKKYZRDXMAEG-YPMHNXCESA-N	308.378	3.367	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCc2ccccc2C1	779521631	YWRLAQIWZORMBV-JOZWUWCOSA-N	323.392	3.032	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC(C)(C)CC(C)C)c1O	775032755	JZHWOQROTUZFKY-UHFFFAOYSA-N	310.394	3.471	10	20	DGCD	
CC(C)C[C@H]1COCCN1Cc1cc(Cl)cc(F)c1O	775690184	KNEOQAIUWHXJBD-ZDUSSCGKSA-N	301.789	3.432	10	20	DGCD	
O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(O)c1O	783852940	YGELKWWMBRQPME-HUUCEWRRSA-N	311.381	3.239	10	20	DGCD	
Cc1ccc(C(=O)NC(C)(C)c2ccc(F)c(F)c2)c(O)c1O	780960621	NGLZHXDXHFBITM-UHFFFAOYSA-N	321.323	3.350	10	20	DGCD	
CCOc1cccc(CNC(C)(C)[C@H](O)c2ccccc2)c1O	895657623	BHQVLHDFGNAGKH-GOSISDBHSA-N	315.413	3.393	10	20	DGCD	
CC[C@H](N[C@H](C)CCCO)c1cc(Br)ccc1O	94942160	NHSOQRQQGJKQRB-MFKMUULPSA-N	316.239	3.356	10	20	DGCD	
C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc(F)cc(F)c1O	894019731	BNYDOHAGGHCWFK-LLVKDONJSA-N	307.340	3.439	10	20	DGCD	
O=[N+]([O-])c1cccc(CCNCc2c(O)ccc(Cl)c2F)c1	790980127	IIYMETYUTXGEAN-UHFFFAOYSA-N	324.739	3.425	10	20	DGCD	
COC[C@H]1CCCCN1Cc1ccc(Br)cc1O	691681789	XUGFCIARYJPMRR-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
CCc1nc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n[nH]1	1319180583	SCUCGIGNQFIDFA-UHFFFAOYSA-N	323.400	3.335	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](C)c2ccc(F)c(F)c2)c(O)c1	1322446844	OQECZKFHCNADOY-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@H]1C[C@H](C)c2c(C)ccc(O)c21	1323875986	DKNWHUZCPQABSS-RZLSGREXSA-N	305.418	3.033	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1CC1(Cl)Cl	1326698175	JVLMFWXSMAYZHM-BYPYZUCNSA-N	306.536	3.009	10	20	DGCD	
CCCN(Cc1cc(C)c(C(=O)O)o1)Cc1ccccc1O	1605317796	SEKGSDXGJGTJQG-UHFFFAOYSA-N	303.358	3.404	10	20	DGCD	
O=C(O)c1cccc2c1CN(Cc1cccc(Cl)c1O)CC2	1602459820	FDSYSSDHAKPKGH-UHFFFAOYSA-N	317.772	3.302	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cnc(CC)nc1	161167617	WWYILVGYCYSVFT-UHFFFAOYSA-N	314.389	3.189	10	20	DGCD	
CCn1c([C@H](C)NC(=O)Cc2ccc(N)cc2)nc2ccccc21	166301890	PLVWZZPXDIAQEZ-ZDUSSCGKSA-N	322.412	3.058	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCOC1)c1cc(Br)ccc1O	37738208	GNGSDYJBOOZQMV-GXFFZTMASA-N	314.223	3.232	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1	36961340	UCRNTJSABCKOGM-UHFFFAOYSA-N	318.181	3.500	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCC1(C)COC1	170729904	QPTDGAKSKSIEEW-UHFFFAOYSA-N	305.399	3.349	10	20	DGCD	
COc1ccc(COCCN[C@H](C)c2ccc(F)cc2O)cc1	185860945	OZNMTSAWPPDWJD-CYBMUJFWSA-N	319.376	3.407	10	20	DGCD	
COc1cccc(CN[C@H](C)c2cc(F)ccc2O)c1OC	185077235	ZVOQEJFLOTZCAQ-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1	121676533	MHSZMYTVOAPRLA-CYBMUJFWSA-N	300.377	3.312	10	20	DGCD	
CCN(Cc1cc(F)ccc1O)C[C@@H](O)c1ccc(C)cc1	180195815	PHZKVPWULMVWKX-GOSISDBHSA-N	303.377	3.395	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@H](C)c2ccccc2O)cc1	183568981	SRWVAQSFTSHIFW-DYVFJYSZSA-N	301.386	3.175	10	20	DGCD	
CCO[C@@H](CCNC(=O)NCc1ccc(N(C)C)cc1)C(C)C	72731338	YHFYDMHUXZMKJH-KRWDZBQOSA-N	321.465	3.003	10	20	DGCD	
C[C@@H](NCCCCCCO)c1ccc(Br)cc1O	186231545	IVVCELAVXXLLQV-LLVKDONJSA-N	316.239	3.358	10	20	DGCD	
Cc1ccc(C#N)cc1NCc1ccc(N2CCOCC2)cc1	320633022	KXJOMJYLKQLOFU-UHFFFAOYSA-N	307.397	3.315	10	20	DGCD	
Oc1ccc(Br)cc1CNC1CCSCC1	222076661	JCMYJTLLYPYSKM-UHFFFAOYSA-N	302.237	3.140	10	20	DGCD	
COc1cc(Cl)cc(CN(CCN(C)C)CC(C)C)c1O	229120094	TYTQJIQLJWMJRZ-UHFFFAOYSA-N	314.857	3.074	10	20	DGCD	
CCOc1cc(NCc2cccc(OC)c2O)ccc1[N+](=O)[O-]	92649013	SLTCPAKTMDJUQU-UHFFFAOYSA-N	318.329	3.320	10	20	DGCD	
Cc1nc(C)c(NC(=O)NCc2ccc(N(C)C)c(F)c2)s1	268248810	SFOIIJBGOAABLH-UHFFFAOYSA-N	322.409	3.287	10	20	DGCD	
C[C@H](NC[C@](C)(O)C(F)(F)F)c1cc2c(cc1O)CCCC2	273530761	WECUMMXSFVSHDG-BONVTDFDSA-N	317.351	3.235	10	20	DGCD	
Cc1cccnc1N(C)C(=O)c1c(-c2cccnc2)noc1C	377591941	MARSOZUJTILLSN-UHFFFAOYSA-N	308.341	3.025	10	20	DGCD	
C/C=C(\CC)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	276568364	REXRTZMZRSEJPR-TWQVXDNOSA-N	303.402	3.256	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@@]2(C)CCCO)c(O)c1	290447261	MDDBRNXRERBSAQ-SFHVURJKSA-N	307.434	3.308	10	20	DGCD	
CSC[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O	805134737	HQKBMWKXZWVWGW-SSDOTTSWSA-N	323.245	3.250	10	20	DGCD	
Oc1cccc2c1[C@H](NCC1CCN(c3ccncc3)CC1)CC2	296960337	RCBNPSVIAOWUQL-GOSISDBHSA-N	323.440	3.281	10	20	DGCD	
Cc1cc(CN2CC[C@@](CO)(c3ccccc3)C2)ccc1N(C)C	293580383	NQFCPOKJNFSWLX-OAQYLSRUSA-N	324.468	3.197	10	20	DGCD	
C[C@H](CCC(C)(C)C)N1C(=O)CN(Cc2ccccc2O)C1=O	819167396	CGGULWLQUDXCPR-CYBMUJFWSA-N	318.417	3.371	10	20	DGCD	
Nc1ccc(CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1	817956666	AFFXSJCREPOWCQ-SFHVURJKSA-N	311.385	3.387	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C[C@]2(C)CC2(Cl)Cl)cc1	822226983	PSPNSKHOBRLAII-CQSZACIVSA-N	315.244	3.343	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1	824940914	FQKSRBFYTKDPEL-PMACEKPBSA-N	312.457	3.144	10	20	DGCD	
COc1cccc(O)c1CNC[C@](C)(OC)c1ccccc1	824780649	YFMSPNIZVNYFRL-SFHVURJKSA-N	301.386	3.052	10	20	DGCD	
CCn1nc(C)c(CN(Cc2ccccc2O)C2CCCC2)n1	823448067	SSRDQBHGJGLMNX-UHFFFAOYSA-N	314.433	3.257	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)OCCCCO)c1	733470147	ITABGORIVQCCHL-UHFFFAOYSA-N	301.386	3.332	10	20	DGCD	
Cc1nonc1COC(=O)c1ccc(-n2c(C)ccc2C)cc1	735797204	OMHDBSOJLIAAOP-UHFFFAOYSA-N	311.341	3.143	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cnc(-c2ccccc2)[nH]1	736673134	PNPRYZWLHKGMBV-UHFFFAOYSA-N	307.353	3.055	10	20	DGCD	
C[C@H](CC1CCCCC1)NC(=O)NCCc1ccc(N)cc1	841887642	UOVQKAOWRGZDMA-CQSZACIVSA-N	303.450	3.469	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cnc3cccc(C)n23)c1	845973368	YKNYNWAHUMJZSA-CYBMUJFWSA-N	311.385	3.208	10	20	DGCD	
CCOc1ccc(CN[C@@H](CCC(C)(C)C)C(=O)O)c(O)c1	840998706	OPYKWUAGNPKUFQ-AWEZNQCLSA-N	309.406	3.160	10	20	DGCD	
CC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C	743760194	KCDBOJPHPUTWKH-LJQANCHMSA-N	314.429	3.293	10	20	DGCD	
CCc1cccc(CNCCc2ccc(NC(C)=O)cc2)c1O	848896369	ZPWIGUFUUQDPTO-UHFFFAOYSA-N	312.413	3.245	10	20	DGCD	
CCO[C@@H](CCNC(=O)Nc1ccc(N)cc1)C1CCCC1	841298491	ALTCTZSXTUSODZ-INIZCTEOSA-N	305.422	3.376	10	20	DGCD	
C[C@H](NCC[C@]1(O)CCCOC1)c1ccc2ccccc2c1O	846211916	ISAONSJKMQOKHG-IFXJQAMLSA-N	315.413	3.128	10	20	DGCD	
Cc1cc(CN(C)[C@@H](CO)Cc2ccccc2)ccc1N(C)C	852287854	IAMNQQFRPOFQTA-LJQANCHMSA-N	312.457	3.096	10	20	DGCD	
CCC[C@H](CN[C@H](C)c1cc(C(=O)OC)ccc1O)OCC	858450693	HOISJGDTOXDDGY-TZMCWYRMSA-N	309.406	3.035	10	20	DGCD	
COC(=O)CC(C)(C)NCc1cc(OC)cc(C(C)(C)C)c1O	850157531	HFIQXNYLAXGPST-UHFFFAOYSA-N	323.433	3.130	10	20	DGCD	
CN(C)c1ccc(CNCC2CCN(CC3CC3)CC2)cc1F	850419987	JOTKCKKFGRVIJW-UHFFFAOYSA-N	319.468	3.103	10	20	DGCD	
C[C@@H](CCCC(F)(F)F)NCc1cc2c(cc1O)OCO2	755224232	ZFKBETWNSRHWRM-VIFPVBQESA-N	305.296	3.332	10	20	DGCD	
CSCC1(CCNCc2ccc(N3CCOCC3)cc2)CC1	850355285	DKLAZUPFQGHIMQ-UHFFFAOYSA-N	320.502	3.146	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2coc(SC)c2)c1	866765638	XWVITJWOLODJBC-VIFPVBQESA-N	307.371	3.207	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](F)c2ccccc2)c1	769608291	UVCBMOJVTPYJBQ-MEDUHNTESA-N	303.333	3.289	10	20	DGCD	
COc1ccc(CNC(=S)Nc2ccc3c(c2)CCC3)nc1	766512651	SEOSIAKDEZLLGN-UHFFFAOYSA-N	313.426	3.066	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](OC)C2CCOCC2)cc1	876944677	OVMOLGWNCKADML-IBGZPJMESA-N	320.477	3.064	10	20	DGCD	
CCOc1cc(Cl)ccc1C(=O)NCc1ccccc1O	778914505	OVBZJJUMPJVLNX-UHFFFAOYSA-N	305.761	3.374	10	20	DGCD	
CC[C@@H](NC[C@@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1	777012298	PCYBNDGKFMKGFQ-ZIAGYGMSSA-N	304.356	3.371	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3C[C@H]4C[C@H]4C3)cc2)CC1	888218985	QVHKFGQNKSVKFW-CALCHBBNSA-N	313.445	3.084	10	20	DGCD	
C[C@@H]1CN(c2ccccc2F)CCN1Cc1cc(F)ccc1O	789588322	BHMSGBAPLDPBKD-CYBMUJFWSA-N	318.367	3.381	10	20	DGCD	
CC(C)[C@](C)(O)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	788591882	JHRBZVMKKYTZGJ-IINYFYTJSA-N	305.340	3.469	10	20	DGCD	
COc1cc(O)c(CNc2cccc(OC)c2OC)cc1OC	895774869	QITRWXOMYDBLIS-UHFFFAOYSA-N	319.357	3.039	10	20	DGCD	
C=Cc1ccc(C(=O)NCCNCc2ccc(OC)c(C)c2)cc1	1134204286	ANCUQWHJZUGEQK-UHFFFAOYSA-N	324.424	3.166	10	20	DGCD	
Cc1cc(N(C)Cc2ccccc2O)ncc1Br	302679258	VXSXCKVMABMIMX-UHFFFAOYSA-N	307.191	3.495	10	20	DGCD	
COc1ccc(CNC(=O)/C=C/SCc2ccco2)c(O)c1	794378518	USXFZMKMADHKSP-SOFGYWHQSA-N	319.382	3.057	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](C)C(C)C	1319815695	LSXXKPLWPSGUBH-INIZCTEOSA-N	321.484	3.444	10	20	DGCD	
CNC(=O)c1cnc(/C=C\c2ccc(N3CCCC3)cc2)s1	1321436202	UTHKSASKRXEPMJ-TWGQIWQCSA-N	313.426	3.273	10	20	DGCD	
O=C(Cc1cc(F)ccc1F)Nc1c(Cl)ccc2nonc12	1321103697	RECGSGFSLMKVDC-UHFFFAOYSA-N	323.686	3.336	10	20	DGCD	
O=C(O)[C@@H]1C[C@@H](NCc2ccc(F)c(F)c2O)c2ccccc21	1605983888	PHVFXWSGYJNDPR-TZMCWYRMSA-N	319.307	3.073	10	20	DGCD	
CC(C)C[C@H](CC(=O)O)NCc1c(O)ccc(Cl)c1F	1776336909	WGDZRZLIENKXML-SECBINFHSA-N	303.761	3.164	10	20	DGCD	
CCCN(CC[S@](=O)c1ccccc1)Cc1ccccc1O	104682351	AYZJXVYJRWZMQB-JOCHJYFZSA-N	317.454	3.412	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N(C)C3CC3)cc2)CC1	114963249	RJCZNIHVAACVKL-UHFFFAOYSA-N	301.434	3.227	10	20	DGCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCc2ccccc21	180621415	SWQHMXLBPLIHMO-AYAUWGRQSA-N	309.365	3.257	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[C@H]1O	246803483	QUKHJZAQZAGYRO-IEBWSBKVSA-N	302.462	3.270	10	20	DGCD	
CCOCc1cc(CN[C@]2(C)CCO[C@H]2C2CC2)ccc1OC	273167532	VFRKSPMSIJHTHJ-RBUKOAKNSA-N	319.445	3.279	10	20	DGCD	
CC[C@@H](C)[C@H](C)C(=O)NCc1cccc(Br)c1O	277582083	RMEMWLKHSCZWJB-ZJUUUORDSA-N	314.223	3.453	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2ccccc2C)c1O	278619730	FRMROCJMXSFFPJ-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H](C)c3ccccc3O)n2)c1	279416889	FJOFVZLTFRKAJM-STQMWFEESA-N	323.400	3.293	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C(N)=O)c1ccccc1	282488608	POFYHOSWHIAESK-SFHVURJKSA-N	312.413	3.221	10	20	DGCD	
C[C@H](Nc1cc(N2CCCC2)ncn1)c1ccc(N(C)C)cc1	804622138	UHMGLFFDQGEGEN-AWEZNQCLSA-N	311.433	3.316	10	20	DGCD	
CCCNCCN[C@H](C)c1cc(Br)cc(C)c1O	817962019	GMVNETSROCEKOH-LLVKDONJSA-N	315.255	3.113	10	20	DGCD	
CC[C@H](NC[C@@H]1CCCNC1)c1ccc(C(F)(F)F)cc1O	817945799	MIFOOHYKRPMRNM-RISCZKNCSA-N	316.367	3.451	10	20	DGCD	
CN1CCC[C@]2(CCN(Cc3c(O)ccc4ccccc34)C2)C1	816642238	ULGJZPMZZLYIGS-FQEVSTJZSA-N	310.441	3.463	10	20	DGCD	
C[C@@H](NCc1cc(Cl)c(F)cc1O)[C@@H](O)Cc1ccccc1	816558120	NULKTMDGAZDLIS-BZNIZROVSA-N	323.795	3.266	10	20	DGCD	
CC1(C)CN(Cc2cc(F)ccc2O)C[C@@H](C(F)(F)F)O1	814176619	SJMCIMHPZCNIPY-LBPRGKRZSA-N	307.287	3.073	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2(CN)CCCC2)cc1	826019678	JLHMJIPTRITMBE-UHFFFAOYSA-N	317.477	3.010	10	20	DGCD	
Cc1cc(O)c(CNCCc2ccc(CO)cc2)cc1Cl	825406300	RFTNTBDHPFYDDD-UHFFFAOYSA-N	305.805	3.179	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](C3OCCO3)C2)cc1C(C)C	738148980	NYKLOTZCOZEOPL-HNNXBMFYSA-N	319.445	3.409	10	20	DGCD	
CN(Cc1ccc(Br)o1)C(=O)c1cc(O)cs1	731869012	IAPJMTAPTUZVTP-UHFFFAOYSA-N	316.176	3.081	10	20	DGCD	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(O)cs1)CC3	732268350	JLGGDNRVPLCVEI-UHFFFAOYSA-N	312.394	3.442	10	20	DGCD	
CCc1ccc(O)c(C(=O)NCCCSc2nccs2)c1	734358811	PQXQENZBWYQTCF-UHFFFAOYSA-N	322.455	3.323	10	20	DGCD	
COC(=O)[C@@H](C)c1cccc(NCc2cc(OC)ccc2O)c1	840958850	VENGVLKKYUMUNU-LBPRGKRZSA-N	315.369	3.289	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1	841041709	ANLWMJNNMVJILX-BBSFQMCSSA-N	313.489	3.167	10	20	DGCD	
COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(O)cs1	847043513	BCEOUCMIQIZJBX-SNVBAGLBSA-N	306.387	3.153	10	20	DGCD	
C[C@H](C(=O)O)N(C)Cc1ccc(N(C)Cc2cccs2)cc1	840995710	MPGUEGZWBSAJMW-CYBMUJFWSA-N	318.442	3.289	10	20	DGCD	
CSCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C	744693052	VVARGMMBJKAECH-UHFFFAOYSA-N	304.415	3.399	10	20	DGCD	
CCc1cccc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1O	848911239	SFVJTOKZULGKIV-OAHLLOKOSA-N	317.351	3.234	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1	840949588	YPOKIXQIHNRRMH-RBUKOAKNSA-N	300.446	3.204	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1ccnc(O)c1	926595622	JPYMENBQTLGVAU-GJZGRUSLSA-N	313.445	3.443	10	20	DGCD	
COc1ccc(O)c(CN(C2CC2)[C@H](C)C(=O)OC(C)(C)C)c1	840957271	KPPZEJPJTFXHSP-GFCCVEGCSA-N	321.417	3.095	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CCCN(C2CCC2)C1	841296488	TYOCZXLGGGSNRC-UONOGXRCSA-N	316.449	3.043	10	20	DGCD	
Oc1cccc2c1[C@H](NCC1CCN(CC3CC3)CC1)CC2	850582761	LCFYEHMWMLILJU-QGZVFWFLSA-N	300.446	3.091	10	20	DGCD	
C[C@]1(C(=O)O)CCCC[C@H]1NCc1c(O)ccc(Cl)c1F	756388475	ORBQYWHVMQVXSF-DOMZBBRYSA-N	315.772	3.308	10	20	DGCD	
Cc1ccc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c(O)c1	756707570	JJZPXMCZXNIMHJ-ZDUSSCGKSA-N	316.357	3.338	10	20	DGCD	
CC(C)[C@H](N[C@H](C)c1cc(Cl)ccc1O)C(=O)N1CCCC1	756705664	NFCOWYIJZHJCBV-WBMJQRKESA-N	324.852	3.343	10	20	DGCD	
COc1cc(Cl)ccc1C(=O)NCc1ccc(N(C)C)cc1	921276658	RJNLQLMVZIXRIA-UHFFFAOYSA-N	318.804	3.345	10	20	DGCD	
O=C(O)c1coc(CNCc2cc(Cl)cc(Cl)c2O)c1	756305897	CRXQNSAWDMIKAF-UHFFFAOYSA-N	316.140	3.280	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1C[C@@H]1C1CC1	751306038	OPGZCXXLYIHWAY-ZIAGYGMSSA-N	318.380	3.381	10	20	DGCD	
CS(=O)(=O)CC1(CSc2ncc(Cl)s2)CCC1	850000147	KXSLEOVAVHPHDL-UHFFFAOYSA-N	311.881	3.104	10	20	DGCD	
COc1ccc(CCN[C@@H](C)c2cc(F)ccc2O)c(OC)c1	756494833	HSZOBICTHQIPJY-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
Cc1cc(C(=O)OCCCO)c(C)n1-c1cccc(Cl)c1	920662393	OADCXXVRGTVKEA-UHFFFAOYSA-N	307.777	3.287	10	20	DGCD	
COc1cc(Cl)cc(CNc2cccc3c2OCO3)c1O	761217652	WWLCSDFNSUNMBP-UHFFFAOYSA-N	307.733	3.395	10	20	DGCD	
COC[C@H](Cc1ccccc1)NCc1ccc2c(c1)CCCN2C	765480327	LTRIUJBCTTXNBH-FQEVSTJZSA-N	324.468	3.416	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C/c2ccc3[nH]ccc3c2)c1	765863696	JKUPUNPGJLGVOY-XVNBXDOJSA-N	322.364	3.212	10	20	DGCD	
CC[C@H](CCO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	768858635	MTJINRSFKYVVSF-MRXNPFEDSA-N	314.429	3.293	10	20	DGCD	
CCOc1ccc(CN2CC[C@H](C3CCOCC3)C2)c(O)c1	769519592	TVFQIQODXAGOLX-HNNXBMFYSA-N	305.418	3.039	10	20	DGCD	
O=C(N[C@H]1CCCOc2cc(F)ccc21)c1cc(O)cs1	777532646	HKIULHAZRZKCME-LBPRGKRZSA-N	307.346	3.237	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C)CO[C@@H]2CCOC2)cc1C	873074265	KSICRADSPSCWDT-DOTOQJQBSA-N	307.434	3.067	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](CCN(C)C)C(C)(C)C)c1O	1119510044	MFPKZJRYSXGYQN-INIZCTEOSA-N	308.466	3.165	10	20	DGCD	
Cc1cccc([C@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)n1	779535456	XICUQWNLUJDLSS-SIJIIQCFSA-N	324.380	3.178	10	20	DGCD	
CCC(C)(C)NC(=S)NCc1ccc(N2CC=CC2)cc1	774183164	MKORWZSTOFAYMT-UHFFFAOYSA-N	303.475	3.216	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CCC(F)(F)C3)CC2)cc1	777243517	UNRGOWUJVBHIAM-CQSZACIVSA-N	310.388	3.441	10	20	DGCD	
C[C@@H](NCc1nc(-c2ccccn2)no1)c1ccc(N(C)C)cc1	775830048	CAIWOYSABHPTDR-CYBMUJFWSA-N	323.400	3.048	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C=CCC1	883833202	XBJIESNRFCQYTK-OAHLLOKOSA-N	301.434	3.250	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCOC2(CCC2)C1	889011355	RJKJMXAHAISBLP-OAHLLOKOSA-N	316.445	3.027	10	20	DGCD	
CN(CC(=O)N(C)C1CC1)c1ccc(OCc2ccccc2)cc1	781962686	CMOOSZJUTSJTPF-UHFFFAOYSA-N	324.424	3.323	10	20	DGCD	
O=C(Nc1ccc(OC(F)F)cc1)c1c(F)ccc(O)c1O	789942495	RQGNUCWTSHVKFP-UHFFFAOYSA-N	313.231	3.091	10	20	DGCD	
CCOc1ccc(O)c(CNC(C)(C)[C@@H](O)c2ccccc2)c1	895659160	UHRMRHLOQLLXAV-SFHVURJKSA-N	315.413	3.393	10	20	DGCD	
Cc1ccc(C(=O)Nc2cc(C)n(-c3ccccc3)n2)c(O)c1O	781012539	GCEJNGTUTVLKPO-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)C[C@@H](C)O)c1C	783628243	APEKNOVFTJWZKR-DZGCQCFKSA-N	314.429	3.292	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC([C@@H]2CCCO2)CC1	783963964	KEPRRISIELKQSC-IBGZPJMESA-N	312.413	3.331	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1cccc(O)c1)c1ccc(N(C)C)cc1	781036177	NVKJOHPAVXGLKQ-GMMCIKNFSA-N	310.397	3.349	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNCCCc2ccccc2F)c1	793348268	XDRYJPVDOACEAK-UHFFFAOYSA-N	304.321	3.162	10	20	DGCD	
COc1ccc(CNC(=O)CCc2ccccc2Cl)c(O)c1	794381275	NXPJMLJTGMZKRN-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
CCN(CC)c1ccc(CN(C2CCC2)[C@@H](C)C(=O)OC)cc1	792188967	ZCBPFCHPFGZIDA-HNNXBMFYSA-N	318.461	3.449	10	20	DGCD	
CCN(CC)c1ccc(CNCCN2CC=CCC2)cc1F	793320140	VECKXZOGIRSJHJ-UHFFFAOYSA-N	305.441	3.023	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@@H]2CCCC2(C)C)cc1C	1132544043	OWMAHORZPFMFNK-INIZCTEOSA-N	318.461	3.036	10	20	DGCD	
CC[C@@H](C)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1	794763971	OSRZREAQPHJZRV-OAHLLOKOSA-N	304.434	3.170	10	20	DGCD	
Cc1ccccc1-c1nc(CNCc2cccc(C)c2O)no1	792175002	OMTKUJDVSQQWEU-UHFFFAOYSA-N	309.369	3.349	10	20	DGCD	
COc1ccc(CNC[C@@H]2CC[C@H](NC(=O)C(C)C)C2)cc1C	994771848	RFYUKKGYBOEAOL-SJORKVTESA-N	318.461	3.034	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCN3CCC[C@@H]3C2)cc1F	1319814293	AMRRDHFWCTZDEP-QGZVFWFLSA-N	319.468	3.342	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1F	1328688003	FYRHLTSROKDMAH-JCURWCKSSA-N	322.399	3.078	10	20	DGCD	
Oc1ccc2c(c1CNc1ncnc3scnc13)CCCC2	1333706858	GAMXOSIZNDRJKZ-UHFFFAOYSA-N	312.398	3.283	10	20	DGCD	
Cc1cccnc1[C@@H](NC(=O)NCc1ccc(N)cc1)C(C)C	1335502004	XATAXOPNIRXMBR-INIZCTEOSA-N	312.417	3.169	10	20	DGCD	
COC(=O)[C@@](C)(NCc1cc(C)c(C)cc1O)c1ccccc1	1352879342	VBVZLNHKXOPPDX-IBGZPJMESA-N	313.397	3.187	10	20	DGCD	
CCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OCC	1165167	FSEVEMAHKDIDRY-UKTHLTGXSA-N	323.439	3.315	10	20	DGCD	
C[C@H](NCCCCCN1CCCC1)c1cc(C(=O)O)ccc1O	1593263709	BTLOXJKBFPNNKM-AWEZNQCLSA-N	320.433	3.007	10	20	DGCD	
CN(C)c1ccc(CNC[C@@]2(C(=O)O)CC3CCC2CC3)cc1	1777040219	FNNWTHNIDPZOFR-KJXMEXGPSA-N	316.445	3.123	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@@](C)(C(=O)O)C2)cc1F	1776861209	ODEPUGORRPODHH-RDTXWAMCSA-N	322.424	3.405	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C[C@@H](C)c2ccc(F)cc2)c1	114543018	FLRXKDVOPCIJKH-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
CCCCNC(=O)[C@H]1CCCN(Cc2cc(C)c(C)cc2O)C1	50901701	GASNNCHKVCAWAH-INIZCTEOSA-N	318.461	3.137	10	20	DGCD	
CCCOc1cccc(CNC(=O)CSc2nccs2)c1	55412176	VFMMCXMXUBPJLZ-UHFFFAOYSA-N	322.455	3.340	10	20	DGCD	
COc1cc(Cl)ccc1C(=O)N(C)Cc1ccccc1O	63467600	VVGAVWAJYYRZAR-UHFFFAOYSA-N	305.761	3.326	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CSc2cccs2)cc1	29055293	QHVMYXSNGLRHBC-UHFFFAOYSA-N	306.456	3.223	10	20	DGCD	
CN1CCCc2cc(CNc3ccc4nccnc4n3)ccc21	301135233	ZDUWGDSYCQUGGB-UHFFFAOYSA-N	305.385	3.019	10	20	DGCD	
CN(Cc1c(F)cccc1Cl)C(=O)Cc1ccc(N)cc1	37798900	JONHQXIUGHYPBP-UHFFFAOYSA-N	306.768	3.262	10	20	DGCD	
CN(C)C(=O)c1cccc(NCc2cc(Cl)ccc2O)c1	37084521	CLHCHGQABZJVEA-UHFFFAOYSA-N	304.777	3.360	10	20	DGCD	
CCNC(=O)c1ccc(C)c(NCc2ccc(N(C)C)cc2)c1	122509678	IAFGPPQQWVOYOC-UHFFFAOYSA-N	311.429	3.423	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCCCOC)cc1F	78582145	WQWZCPXZYLXXHE-UHFFFAOYSA-N	310.413	3.105	10	20	DGCD	
OCCN(Cc1cc(F)ccc1O)[C@@H]1CCCc2ccccc21	180153129	MHLQTQGXNAQOIJ-GOSISDBHSA-N	315.388	3.403	10	20	DGCD	
C[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	47036095	JCXYGTZWFHFQAT-GDBMZVCRSA-N	303.450	3.473	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)Cc2cc(OC)ccc2O)C12CCC2	180749156	FXAXBWWGAZKLHM-IAGOWNOFSA-N	305.418	3.180	10	20	DGCD	
O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(O)c1O	186858619	YLCTWFXGZYPODW-UHFFFAOYSA-N	312.350	3.474	10	20	DGCD	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1O	193079826	IFJKWTHOCYDOEK-AAEUAGOBSA-N	315.344	3.255	10	20	DGCD	
COc1ccc(O)c(CNc2cc(NC(C)=O)ccc2C)c1	237206705	YTKCECJDYOMQQS-UHFFFAOYSA-N	300.358	3.280	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@@H](Oc2ccncc2)C1	93865935	VNHMHHVJBQAFQB-OAHLLOKOSA-N	304.777	3.094	10	20	DGCD	
CCOc1cccc(CN2CCc3cccc(F)c3C2)c1O	93454259	LSDZWPLSGRDPLT-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1cccc(OC(F)(F)F)c1	255925224	UBLHYHDMNRQUBC-VMPITWQZSA-N	305.302	3.074	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCOc2ncccc2F)c(O)c1	285363923	VSZQXSKDVMQRNZ-ZDUSSCGKSA-N	304.365	3.273	10	20	DGCD	
CCCN(CCC)c1ccc(CN[C@@]2(C)CCOC2=O)cc1	289828350	OCNVLZLWRLMLQR-SFHVURJKSA-N	304.434	3.108	10	20	DGCD	
Cc1cc(C)cc([C@H](O)CNCc2cccc(Cl)c2O)c1	282978241	JBCDKNDBTDIGPT-MRXNPFEDSA-N	305.805	3.486	10	20	DGCD	
COc1cccc(CN[C@H]2Cc3[nH]c4ccccc4c3C2)c1O	289431289	KSQBAICHYWFMKX-CYBMUJFWSA-N	308.381	3.139	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)[C@@H]2OCCc3sccc32)c1	292856276	UTHNVAJBLXTUGX-GTNSWQLSSA-N	319.426	3.254	10	20	DGCD	
COC1CCN(c2ccc(CN3C[C@H](C)[C@@H](C)C3)cc2)CC1	295032120	NCWPCPSZDUBZHQ-HOTGVXAUSA-N	302.462	3.390	10	20	DGCD	
C[C@H](CCO)CNCc1ccc(N(C)Cc2cccs2)cc1	294918346	AOPYNBGMQIZGTP-OAHLLOKOSA-N	318.486	3.493	10	20	DGCD	
CC[C@H](NCC1(O)CCC1)c1ccc(C(F)(F)F)cc1O	810219054	ZGSFXZGQOPLKNT-LBPRGKRZSA-N	303.324	3.367	10	20	DGCD	
CCc1cccnc1[C@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817942455	OYBROFNUUJBTON-KBXCAEBGSA-N	312.461	3.061	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](C3CC3)C2)cc1F	812018567	SEJMSWQJNXSBAW-HNNXBMFYSA-N	319.424	3.223	10	20	DGCD	
C[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C	816528938	YPMQYOWWWXRVFV-QMMMGPOBSA-N	303.761	3.005	10	20	DGCD	
C[C@H](NCc1ccc2cnn(C)c2c1)c1ccc(N(C)C)cc1	812736345	BCIZOMVSSTUYMP-AWEZNQCLSA-N	308.429	3.490	10	20	DGCD	
COc1ccc(C[C@@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1	827940326	ARALKXCGQCIIOQ-ZIAGYGMSSA-N	313.397	3.457	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(Cl)no1	822756456	FYYOXWCEZMPXFF-UHFFFAOYSA-N	308.765	3.476	10	20	DGCD	
CC[C@@](O)(CC(=O)N[C@H](C)c1ccccc1O)c1ccccc1	827952418	RNGFOCCZDKADDF-AUUYWEPGSA-N	313.397	3.257	10	20	DGCD	
COc1cc(CCNCc2cc(Cl)c(C)cc2O)ccc1O	825291669	OJQURKXTHRKJNC-UHFFFAOYSA-N	321.804	3.401	10	20	DGCD	
OCC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1	825138814	XVUFQNOEPBLECQ-YZGWKJHDSA-N	314.473	3.174	10	20	DGCD	
N[C@@H]1c2ccccc2C[C@H]1NCc1cc(Cl)cc(Cl)c1O	904462879	ZLBHNWCBXBOJFZ-HUUCEWRRSA-N	323.223	3.413	10	20	DGCD	
CN(Cc1ccc(N(C)C)c(F)c1)C[C@](C)(O)c1ccccc1	822515996	HAEGZBHYEYRBGD-IBGZPJMESA-N	316.420	3.231	10	20	DGCD	
CCSc1ccccc1C(=O)NCc1cc(OC)ccc1O	734015451	KVNDKAPTBYBTQQ-UHFFFAOYSA-N	317.410	3.443	10	20	DGCD	
CC[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cccc(Cl)c1O	834916441	YTHMCLPTDVPVSS-TUKIKUTGSA-N	322.836	3.240	10	20	DGCD	
OC[C@]1(CN[C@@H]2CCc3cccc(O)c32)C[C@@H]1c1ccccc1	834803017	IGUZGZSFSIUMHX-MBOZVWFJSA-N	309.409	3.135	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2nn(C)cc2Cl)cc1	834881819	BLDRDUOCQZCEMS-LBPRGKRZSA-N	306.841	3.380	10	20	DGCD	
CCCc1ccc(C(=O)COC(=O)c2cc(O)cs2)cc1	731912219	QRPFDPGNPDAMSG-UHFFFAOYSA-N	304.367	3.446	10	20	DGCD	
COc1cc(C)cc(CN2CCc3cccc(OC)c3C2)c1O	840135099	YINWNKPIHOFAFA-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)Cc1ccc(N)cc1	843495270	QDJCZNJKMWVYIN-OLZOCXBDSA-N	312.388	3.485	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2sccc2Cl)cc1	841045193	JGTMHQAIIJMCQN-CQSZACIVSA-N	309.866	3.257	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)OC(C)(C)C	842925997	OCZPBJNHGVTXEP-GWCFXTLKSA-N	324.377	3.071	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCn1cccc1	746145483	SGCXHQUJWOUAGE-UHFFFAOYSA-N	313.445	3.381	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)cc1	844353136	HXHQVMVKMLSPOA-OAHLLOKOSA-N	312.413	3.351	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC[C@@H](c3ccccc3)C2)cc1	841957196	PBPWVXXEINOBIA-QGZVFWFLSA-N	309.413	3.010	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCSCC(F)(F)F	840936601	MFCMYIPTZRKXAM-UHFFFAOYSA-N	306.397	3.446	10	20	DGCD	
CC(C)c1cccc(CNC(=O)NCCc2ccc(N)cc2)c1	841879551	PIVIDLCOMREOHZ-UHFFFAOYSA-N	311.429	3.434	10	20	DGCD	
CC[C@@H](NC(=O)NCCc1ccc(N)cc1)c1nc(C)cs1	841793201	GUQXGBLYOGDHEU-CQSZACIVSA-N	318.446	3.027	10	20	DGCD	
C[C@@H](NCCC1CCNCC1)c1cccc(C(F)(F)F)c1O	844925993	SRWOENBIPGENIE-LLVKDONJSA-N	316.367	3.451	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cnc(C(C)(C)C)nc2)c1	845970844	DCYMMKLWSBLPJO-GFCCVEGCSA-N	315.417	3.339	10	20	DGCD	
CN(C[C@@H]1C[C@H]1c1ccccc1)c1ccc(OCC(=O)O)cc1	846279606	HQDLTQYFXUXELA-YJBOKZPZSA-N	311.381	3.390	10	20	DGCD	
CCCN(Cc1cc(Cl)cc(F)c1O)C1CCNCC1	843044933	MOKLIOHLKOCADP-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
CC(C)Nc1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1	846474321	UPLIXWIYZURLKL-UHFFFAOYSA-N	319.792	3.191	10	20	DGCD	
CC1=C(C)C[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	843851873	SLFIXYFDODRJIP-DZGCQCFKSA-N	303.402	3.282	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1ccsc1)c1cc(F)cc(F)c1O	756603775	KWGWBVKZRQJPMP-BJOHPYRUSA-N	313.369	3.290	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nc(Cl)cs1	858327491	RZNOSWHDUAEIHU-UHFFFAOYSA-N	323.849	3.270	10	20	DGCD	
Cc1cocc1C(=O)NCc1ccc(N2CCSCC2)cc1	858590374	VMNSEZPEQWLHHC-UHFFFAOYSA-N	316.426	3.071	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)o1	756603428	BPDNXAOWSRYLME-GAJTVXKRSA-N	305.349	3.304	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H]2CN(CC(C)C)CCO2)c(O)c1C	756355677	QSJMBVNHCZRHFQ-IAGOWNOFSA-N	320.477	3.016	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCS[C@H](C(C)C)C2)c1O	750826678	ANTLXZIKMVXQRV-HNNXBMFYSA-N	311.422	3.307	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn(C2CCC2)c1	934706351	JMMJJNNKXOQURA-UHFFFAOYSA-N	313.401	3.366	10	20	DGCD	
C[C@@H](NC[C@@H](O)CCOCc1ccccc1)c1ccccc1O	931555592	YXPCELQOIFNYBM-WBVHZDCISA-N	315.413	3.011	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)c1cccc(O)c1	935944216	NRXWDAKTLDRKDS-LBPRGKRZSA-N	320.385	3.003	10	20	DGCD	
CCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)CC(F)F	769224737	XTZJIKPQHYLDCK-UHFFFAOYSA-N	308.712	3.431	10	20	DGCD	
CCN(C)C(=O)CCN(Cc1ccccc1O)C1CCCC1	769933776	NXGKXRPFMPTORJ-UHFFFAOYSA-N	304.434	3.005	10	20	DGCD	
COc1c(F)cc(F)cc1NC(=O)NCc1ccccc1O	761684238	NNEZHLMAEPOREY-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
C[C@H]1CC[C@H](C)C1NCc1ccc(N2CCC(O)CC2)cc1	877077198	ZDILMFTUEVTDII-GJZGRUSLSA-N	302.462	3.172	10	20	DGCD	
Cn1ccnc1[C@@H](NCCCSc1nccs1)C1CC1	775635179	UWXDQESWNYIHEK-LBPRGKRZSA-N	308.476	3.100	10	20	DGCD	
C[C@H](NC(=O)NC[C@@H]1CC=CCC1)c1ccc(N(C)C)cc1	773622654	HAONAVGMFNJMHW-LSDHHAIUSA-N	301.434	3.469	10	20	DGCD	
C[C@@H](NCc1ccc(C(=O)NC2CC2)cc1)c1ccccc1O	877756343	ICFXUIDXHGFIQV-CYBMUJFWSA-N	310.397	3.135	10	20	DGCD	
CCCCN(CCOC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776244117	FIBWNDRZMNAJOK-OAHLLOKOSA-N	321.465	3.272	10	20	DGCD	
CCc1ccc([C@H](COC)NCc2cc(F)cc(F)c2O)o1	883017797	BHPBMUVYIILBKI-AWEZNQCLSA-N	311.328	3.303	10	20	DGCD	
CC1(C)CCN(Cc2ccc(N3CCOCC3)cc2)CCS1	789764295	XVRTZPIHORSVKS-UHFFFAOYSA-N	320.502	3.241	10	20	DGCD	
Cc1oc(C(C)C)nc1C(=O)NCc1ccc(N(C)C)cc1	794807440	GGVFPLSMYYMSPA-UHFFFAOYSA-N	301.390	3.102	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c1	389789019	OARNDDJVHUEVRT-VQIMIIECSA-N	310.441	3.311	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1O	794802340	DZWTXDVAJCKNRY-OCCSQVGLSA-N	316.367	3.378	10	20	DGCD	
CCC[C@@]1(NCc2c(O)cccc2Br)CCOC1	706835358	VVDQPIHGYHLQDE-CQSZACIVSA-N	314.223	3.204	10	20	DGCD	
Cn1ncc2c1CCC[C@H]2NCc1c(O)ccc(Cl)c1F	790950177	MIFQRUSTNCZWBX-GFCCVEGCSA-N	309.772	3.085	10	20	DGCD	
CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C	1331691566	HUSPDOHTWMXADO-UHFFFAOYSA-N	302.462	3.268	10	20	DGCD	
CC[C@@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	1262605538	CXJWTAQNCQVXOS-IAGOWNOFSA-N	322.424	3.008	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1ccc(C(=O)O)n1C	1605278138	NLTRQPOXWMCXIW-UHFFFAOYSA-N	316.401	3.231	10	20	DGCD	
O=C(O)c1cnc(SC[C@@H]2CC[C@@H](C(F)(F)F)O2)s1	1602537418	SUUHLUADDSUIDV-FSPLSTOPSA-N	313.322	3.043	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)CC(F)(F)F	1604184176	HTBMFJNLTKKYHV-DTWKUNHWSA-N	305.296	3.330	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1cc(F)ccc1O	227690839	HVUCFUWKVILIKU-WDEREUQCSA-N	312.385	3.095	10	20	DGCD	
CC1=C(C(=O)O)C[C@H](CN(C)c2ccc(OC(C)C)cc2)O1	1594100477	PORWNCCNUZCSTQ-OAHLLOKOSA-N	305.374	3.058	10	20	DGCD	
C[C@@H]1CCC[C@@]1(NCc1ccc(N2CCCCC2)cc1)C(=O)O	1776639733	XJLBKZMKNPVIRN-BEFAXECRSA-N	316.445	3.410	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](CC3CCC3)C(=O)O)ccc21	1776875726	DYIWEAMHFNDHKQ-KRWDZBQOSA-N	316.445	3.192	10	20	DGCD	
CC[C@H](NCc1cc(Cl)cc(Br)c1O)[C@@H](C)O	708173083	VCBRGYZCAXHVKV-HQJQHLMTSA-N	322.630	3.057	10	20	DGCD	
CC[C@@H](NCCCONC(=O)OC(C)(C)C)c1ccccc1O	897426284	PBKZQBZHOGMPDR-CQSZACIVSA-N	324.421	3.279	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C[C@@H]2CCc3ccccc32)c1	115713225	QXAXFPORTAWDCW-AWEZNQCLSA-N	311.381	3.137	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2)cc1OC	63617190	PGHPKSHXJLLHCX-OAHLLOKOSA-N	305.349	3.013	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCCOCC(C)C	66698163	DOCLCQXBCONDRJ-UHFFFAOYSA-N	322.449	3.377	10	20	DGCD	
Cc1cnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1	302896275	QYMNQBHZXHARQN-ZDUSSCGKSA-N	303.431	3.461	10	20	DGCD	
C[C@@H](NCCC(=O)N1CCCCCC1)c1ccc(N(C)C)cc1	129050455	FHERCNDYWQBVLK-MRXNPFEDSA-N	317.477	3.196	10	20	DGCD	
COc1ccc(N(Cc2cc(=O)c(O)co2)[C@H](C)C2CC2)cc1	124745901	IUXZOFQUKMJLKX-GFCCVEGCSA-N	315.369	3.159	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2ccc(C)cc2)c1	182324636	VUIBCCZHEGMWLE-FZKQIMNGSA-N	301.386	3.093	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@H](C)C[C@@H](C)C1	186391545	HFVWREOQTHAOKK-UPJWGTAASA-N	305.418	3.217	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NC1CCN(C2CC2)CC1	315473538	KCSDXZZGEVZTCQ-BBRMVZONSA-N	300.446	3.465	10	20	DGCD	
CCc1ccc([C@@H](C)CC(=O)NCc2ccc(O)c(O)c2)cc1	182514078	FURCFTPKOMQMRV-ZDUSSCGKSA-N	313.397	3.470	10	20	DGCD	
COC[C@@H](N[C@@H](C)c1ccc(Br)cc1O)C1CC1	186154079	UVYCIOVJXFCQDH-TVQRCGJNSA-N	314.223	3.230	10	20	DGCD	
CC1CCC2(CC1)OC[C@@H](CN[C@H](C)c1ccccc1O)O2	183671853	VNJJPCCTWGPJGR-NWPKHEMWSA-N	305.418	3.365	10	20	DGCD	
COc1ccc2ccccc2c1CNC(=O)c1cccc(O)c1O	192975261	LNXFETJTUVZJCT-UHFFFAOYSA-N	323.348	3.190	10	20	DGCD	
C[C@H](NCc1cnn(C)c1)c1cc(Cl)c(Cl)cc1O	192720982	RJCXILQNYFWRML-QMMMGPOBSA-N	300.189	3.283	10	20	DGCD	
CS[C@H](C)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	90726640	MXJJVQYMFMZDIS-CHWSQXEVSA-N	312.454	3.064	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCSc2ncccc21	255070627	PZUKJXKYYZSJFW-XQRVVYSFSA-N	317.801	3.282	10	20	DGCD	
Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(O)c(O)c1	272351743	QSHXNQCEAKVLON-UHFFFAOYSA-N	320.414	3.090	10	20	DGCD	
Cc1ccc([C@@H](C)NCCC(=O)N2CCCCC2)c(O)c1C	273427577	URQHDYILTRSKPZ-OAHLLOKOSA-N	304.434	3.062	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1	285641538	KZPFKXFEVUPGDS-SUYBPPKGSA-N	304.434	3.045	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@H](C)c2c(C)cc(C)cc2O)c1	284162458	PVMDTZDBAOEMAA-KDOFPFPSSA-N	315.413	3.402	10	20	DGCD	
O=C1O[C@H](CN2CCCc3cc(OC(F)F)ccc32)CC12CC2	373012949	JMPZGCFUKZEAOR-ZDUSSCGKSA-N	323.339	3.136	10	20	DGCD	
CC[C@@H](NCc1cnn(CCOC)c1)c1cccc(Cl)c1O	286988568	JLQKAFKQSPKKOF-OAHLLOKOSA-N	323.824	3.129	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1	295026587	OCVOXCOOTIRNDF-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
C[C@H](c1ccccc1O)N1CCC[C@H](CC(C)(C)C(N)=O)C1	296653914	ZDGRODORQQOAHB-ZIAGYGMSSA-N	304.434	3.067	10	20	DGCD	
COc1cccc(CN2CCc3cc(F)cc(C)c3C2)c1O	800535478	CPPVZRVENJEIDI-UHFFFAOYSA-N	301.361	3.407	10	20	DGCD	
CC[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1O	806130350	WDEVCWNFCRQYPH-HUUCEWRRSA-N	318.804	3.313	10	20	DGCD	
CC(F)(F)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1	815834120	UEHIINIPRUPWPR-UHFFFAOYSA-N	321.323	3.182	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@H](c2cc[nH]n2)C1	816492783	CIASSGUAZLRDGS-JTQLQIEISA-N	309.772	3.287	10	20	DGCD	
Cc1ccc2c(c1)[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)CC2	817938031	BRQWZFFBYHFRBP-WOJBJXKFSA-N	309.457	3.338	10	20	DGCD	
O=C(NCc1ccccc1O)c1cnc2c(F)ccc(F)c2c1	815833744	BPCKWUNNEPAQHR-UHFFFAOYSA-N	314.291	3.149	10	20	DGCD	
Cc1ncc(CCNCc2cc(Cl)c(F)cc2O)s1	816557881	FFLVYGNCXUCIIS-UHFFFAOYSA-N	300.786	3.282	10	20	DGCD	
Cc1noc(CCC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)n1	817762414	VEAGIQWXGFPOQG-UHFFFAOYSA-N	313.357	3.025	10	20	DGCD	
CCC1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CCCC1	819169271	ZAQUIAYKJROUJQ-UHFFFAOYSA-N	316.401	3.127	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc3ccccc3c2O)cn1	816534683	QLICTYAODLUIRY-UHFFFAOYSA-N	307.397	3.296	10	20	DGCD	
CC[C@@H](CNCc1cc(Cl)c(F)cc1O)N1CCCC1	816534492	KOMCLJWQXABZTC-LBPRGKRZSA-N	300.805	3.149	10	20	DGCD	
O=C1CC[C@H](CN2CCCc3cc(OC(F)(F)F)ccc32)O1	821391362	JUSOAEJUZCDNEL-GFCCVEGCSA-N	315.291	3.043	10	20	DGCD	
CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	828884363	AIQREVDXKCPABK-ONGXEEELSA-N	319.323	3.124	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN[C@H]1CCCC12CCC2	823697942	PDILZBNTHXUFMP-SFHVURJKSA-N	300.446	3.336	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	824838950	TZGKZGCABWPJIV-FMWKFLBASA-N	319.404	3.444	10	20	DGCD	
CCCn1ncc(C(=O)N[C@H](C)c2ccccc2O)c1C1CC1	827941336	QLGQQNPHXLVHGK-GFCCVEGCSA-N	313.401	3.367	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccoc1	822266258	VFRHSYFVHYCOTG-UHFFFAOYSA-N	315.417	3.120	10	20	DGCD	
OCC1(NCc2cc(Cl)cc(Cl)c2O)CCSCC1	839173851	ADJABSSYPQROTN-UHFFFAOYSA-N	322.257	3.047	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)cc(F)cc1F	741665898	QYNAEEQTVZVGOM-UHFFFAOYSA-N	322.330	3.442	10	20	DGCD	
CC[C@H](C)NC(=S)N(Cc1ccccc1O)C[C@@H]1CCCO1	749760688	WYCWHWWUHFYEPH-ZFWWWQNUSA-N	322.474	3.046	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H]1CCN(c2ccccc2)C1=O	743870492	UFXLLKHRDBAZSO-SFHVURJKSA-N	324.424	3.410	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CC2CCC2)C(=O)O)cc1F	841815357	DXOPQPMJSMUVEY-MRXNPFEDSA-N	322.424	3.405	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(OC)o2)cc1F	847475537	JUIISAZOUIMQIK-UHFFFAOYSA-N	320.364	3.204	10	20	DGCD	
COc1ccc(Cl)cc1CNC(=O)NCc1ccccc1O	748461438	LDGCZVVTSSZYBE-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC(OC3CCCC3)CC2)cc1	841301164	CVORPOQIKQEMFS-UHFFFAOYSA-N	303.406	3.224	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@@H](C)[C@@H]1C	842181600	YUCFOKIOOIPTON-UTUOFQBUSA-N	313.492	3.311	10	20	DGCD	
CN1CCC[C@@]2(CCN(Cc3cc4c(cc3O)CCCC4)C2)C1	840085984	JIDGCIIPMLNDKU-HXUWFJFHSA-N	314.473	3.189	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2ccc(C)cc2F)cc1F	757853215	XCEPTKCEXYAYHJ-UHFFFAOYSA-N	320.339	3.357	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@H](C)c2cc(F)cc(F)c2O)cc1	756366693	HWUKFLPFFNYOAO-SNVBAGLBSA-N	320.339	3.480	10	20	DGCD	
COc1cccc(CNCc2cccc(OC3CC3)c2F)c1O	850365218	JWICZOIISHSWDI-UHFFFAOYSA-N	317.360	3.371	10	20	DGCD	
CN(C)c1cc(F)c(CNCC(C)(C)c2ccccn2)cc1F	858170470	KZJGKTVUKHUADR-UHFFFAOYSA-N	319.399	3.493	10	20	DGCD	
CCc1oc(C(=O)OC)cc1CN(C)c1ccc(OC)c(F)c1	757857852	QFMMSFXAYINITN-UHFFFAOYSA-N	321.348	3.413	10	20	DGCD	
C[C@H](NCCc1nc2c(s1)CCC2)c1ccc(F)cc1O	926931707	QZTOZDRXEUFCJR-JTQLQIEISA-N	306.406	3.370	10	20	DGCD	
COc1ccc2c(c1)N(C(=O)/C=C/c1cccnc1)CCCC2	757181094	DQQPVUNUISTWFY-JXMROGBWSA-N	308.381	3.473	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C	750826906	UBWXMYMEQWXKHN-HOTGVXAUSA-N	323.408	3.369	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@H]2[C@H]2CCCO2)cc1F	862360257	YWSWAUDSBQZJKU-DOTOQJQBSA-N	310.388	3.174	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1	862757902	HYYBTKMAPULPMO-UONOGXRCSA-N	301.411	3.490	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2Cc3cccc(O)c3C2)c1O	763480555	NYEGESAOXIUJLU-CYBMUJFWSA-N	319.788	3.017	10	20	DGCD	
COc1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)c(O)c1	877494250	VNUBFYZVMRBQOO-UHFFFAOYSA-N	316.357	3.216	10	20	DGCD	
C[C@@H](N(C)Cc1ccc(N2CCN(C)CC2)cc1)C1(C)CC1	775736379	RWJGKAXFIIKAPG-MRXNPFEDSA-N	301.478	3.059	10	20	DGCD	
CCCOc1ccc(CN[C@@]2(CCOC)CCOC2)cc1C	873115360	MFKXYGFRZFRISY-SFHVURJKSA-N	307.434	3.069	10	20	DGCD	
CCCOc1ccc(CN[C@H](C(N)=O)c2ccccc2)cc1C	873010087	ABHGHHSUAMUFBV-SFHVURJKSA-N	312.413	3.100	10	20	DGCD	
COC(=O)CC[C@@H]1CCCN(Cc2cc(C)c(C)cc2O)C1	877818027	CMYAJLMFJWJNDZ-HNNXBMFYSA-N	305.418	3.174	10	20	DGCD	
CC[C@@H](N[C@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1	886799031	LPANPTQWMGCNQD-ZIAGYGMSSA-N	304.356	3.107	10	20	DGCD	
CO[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	776240411	VNXCJMHPXKSCNV-WMLDXEAASA-N	319.449	3.024	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3cc(Cl)cc(F)c3O)CC[C@@H]21	775742538	UUFGYCYROOJSLP-NHYWBVRUSA-N	312.816	3.101	10	20	DGCD	
C[C@H](NC[C@@H](O)[C@@H](C)c1ccccc1)c1c(O)cccc1F	886640101	RJJGCBZDOOJLRJ-GDZNZVCISA-N	303.377	3.347	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1cnn(C2CCC2)c1	899341592	DWQMFSWHCMXIJW-NTEUORMPSA-N	316.430	3.064	10	20	DGCD	
CC(C)C[C@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792946566	QDKXQGJEBLOJBP-AWEZNQCLSA-N	318.383	3.268	10	20	DGCD	
CSCCCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	798964158	NBBMMYXZOIZVBG-UHFFFAOYSA-N	304.799	3.139	10	20	DGCD	
C[C@@H]1CC[C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1	792953083	XJNQXTDQRVPMRU-OLZOCXBDSA-N	307.413	3.127	10	20	DGCD	
CCOc1ccc(CN2CCC(N(CC)CC)CC2)c(O)c1	1237041112	FCLPAXONYDJMRW-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
CCCc1nc(C(=O)Nc2c(Cl)ccc3nonc23)co1	1323707406	NOXJFAIHKSQUKX-UHFFFAOYSA-N	306.709	3.069	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCCC2(CCNCC2)C1	1349325764	QDYDKIVSRUVTEY-UHFFFAOYSA-N	312.816	3.150	10	20	DGCD	
CC[C@H](NCc1cc(C(=O)O)c(C)n1C)c1ccc(C)cc1O	1605098635	HDJXFJDAOYQHPT-INIZCTEOSA-N	316.401	3.287	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1cccc(C(F)(F)F)n1	1600832702	VLRQECVBZBWAKI-UHFFFAOYSA-N	301.220	3.279	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CC[C@](F)(C(=O)O)C2)cc1C	1776821558	IKMRIVLPEARNIV-WMLDXEAASA-N	309.381	3.219	10	20	DGCD	
CC(C)NC(=S)N(C)Cc1ccc(N2CCCCC2)cc1	7404419	LALOXRKLDQRVLQ-UHFFFAOYSA-N	305.491	3.392	10	20	DGCD	
CCc1cccc(OCC(=O)NCc2ccc(N(C)C)cc2)c1	8171168	JJLMZOPMZZLEDV-UHFFFAOYSA-N	312.413	3.010	10	20	DGCD	
CC[C@@H](C)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1	122690067	OTEPGUPAUZQPDV-CQSZACIVSA-N	321.490	3.180	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2ncccc2Cl)c1	186107069	IMGYEBZSFDMZRM-NSHDSACASA-N	322.792	3.179	10	20	DGCD	
C/C=C/C[C@@H](CO)N[C@@H](C)c1cc(Br)ccc1O	186520009	ZUMHXGQEXISFSZ-BMPPAVAUSA-N	314.223	3.132	10	20	DGCD	
COCC1CCN(Cc2cc(Br)ccc2O)CC1	156034708	VBJFKDGPGHRRQB-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
CN(C)c1ccc(CNc2cccc([S@@](C)=O)c2)cc1F	121930479	YPSIQDBGJRDVIB-NRFANRHFSA-N	306.406	3.241	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)cc1	316305805	ZXRIBOLIJITXGI-CEXWTWQISA-N	301.478	3.153	10	20	DGCD	
Oc1ccc(F)cc1CN1CCSC[C@H]1c1nccs1	186662906	OIUKRYUSRVIOKE-LBPRGKRZSA-N	310.419	3.278	10	20	DGCD	
Cc1ccccc1C[C@H](CO)N[C@H](C)c1cc(F)ccc1O	191564968	XAMKVCDYHJRKJR-CZUORRHYSA-N	303.377	3.094	10	20	DGCD	
CCN(Cc1cnn(C)c1)Cc1cc(Cl)cc(Cl)c1O	92437921	HCSRKLQIKGHCII-UHFFFAOYSA-N	314.216	3.455	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@H](C)CC2)c1	247285433	ZQWMXFBUVDHCFO-AVGNSLFASA-N	306.406	3.340	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccccc1O)c1ccc2c(c1)CC(=O)N2C	272827779	HCCOOFAFPZWKDX-STQMWFEESA-N	310.397	3.323	10	20	DGCD	
C[C@H](NCC1(N(C)C)Cc2ccccc2C1)c1ccccc1O	272846927	KLKKSCDLNRYNFR-HNNXBMFYSA-N	310.441	3.142	10	20	DGCD	
CC[C@@H](C)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	277470771	UVGTVHDGBXMNED-GHMZBOCLSA-N	324.808	3.244	10	20	DGCD	
CC(C)[C@@H](CCO)N[C@H](C)c1cc(Br)ccc1O	273606648	UFXLIVDFNKWJNJ-ZWNOBZJWSA-N	316.239	3.212	10	20	DGCD	
CCOc1cccc(CN2CCCC[C@H]2c2noc(C)n2)c1O	372838961	RHUNUIMZAIMUPI-AWEZNQCLSA-N	317.389	3.210	10	20	DGCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F	288718653	YLSRLDRWZLCERI-SECBINFHSA-N	316.323	3.021	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)c1ccccc1)c1ccc(F)c(F)c1O	290157011	DARSAOLTIPTFHH-USBNGQNGSA-N	307.340	3.443	10	20	DGCD	
Cc1cc(Br)c(O)c(CN(C)[C@H]2CCCOC2)c1	809692795	GXZFNSMFWSTAOP-LBPRGKRZSA-N	314.223	3.074	10	20	DGCD	
CN(Cc1c(O)ccc(Cl)c1F)C1CCC(CO)CC1	809764249	HPCVXCSJVHQDPT-UHFFFAOYSA-N	301.789	3.168	10	20	DGCD	
C[C@H](CO)CNCc1ccc(N(C)Cc2cccs2)cc1	296377252	KFCYYAWHDUHFHN-AWEZNQCLSA-N	304.459	3.103	10	20	DGCD	
Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)o1	292914359	GJHFULSKNGEUIS-UHFFFAOYSA-N	313.401	3.162	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2COc3ccccc3[C@H]2O)c(O)c1C	290490641	XTTPYHWLMVXZOC-IYJAJMOOSA-N	313.397	3.154	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)cn1	807839823	MFQNEZPRSOBJCU-UHFFFAOYSA-N	315.131	3.163	10	20	DGCD	
C[C@@H](Cc1ccc(O)cc1)NCc1ccc2c(c1)CCCN2C	816542974	JIRRQBWNHLNKNA-HNNXBMFYSA-N	310.441	3.495	10	20	DGCD	
Cc1cc(O)c(CN2CCS[C@H]3COCC[C@@H]32)cc1Cl	824913259	NBELEVOYHVTXDH-ZFWWWQNUSA-N	313.850	3.060	10	20	DGCD	
CCOc1cccc(CN[C@@H](C(C)C)[C@@H](CO)C(C)C)c1O	824844855	DVHCTGNKAKXHAK-RDJZCZTQSA-N	309.450	3.170	10	20	DGCD	
Cc1cc(CN(C)[C@@H](C)C[S@@](C)=O)ccc1N1CCCCC1	828785147	CLMKNTQHTFUVHB-KSFYIVLOSA-N	322.518	3.184	10	20	DGCD	
C/C(=C\CN(Cc1ccco1)Cc1ccccc1O)C(=O)O	825730390	WAZNZLLMKSOEDA-MDWZMJQESA-N	301.342	3.018	10	20	DGCD	
COc1ccc(N(CC2CC2)C(=O)/C=C\c2cncc(O)c2)cc1	836840787	RZZWZJNQKXSHHH-WTKPLQERSA-N	324.380	3.252	10	20	DGCD	
CO[C@@H]1C[C@@H](N(C)Cc2c(O)ccc3ccncc23)C12CCC2	840138062	CKOSAQLZHKUSFY-QZTJIDSGSA-N	312.413	3.330	10	20	DGCD	
CCc1cccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1O	848916526	WIFWFXLGNZRWHT-UHFFFAOYSA-N	324.424	3.218	10	20	DGCD	
CCc1cccc(CNCCOCc2ccc(OC)cc2)c1O	848899766	JZGJUVLDQBIKQX-UHFFFAOYSA-N	315.413	3.270	10	20	DGCD	
Cc1cc(C(=O)OCCOCC2CC2)c(C)n1-c1ccccn1	744693042	VMWFLQBHJLALAS-UHFFFAOYSA-N	314.385	3.073	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1	743638756	UIBQGXBLCPMCRT-HKUYNNGSSA-N	323.440	3.183	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN[C@@H]1CCCN2CCCC[C@H]12	848575019	KSJJAOSNYFUUAW-ZIAGYGMSSA-N	312.816	3.291	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H]3[C@H](C2)C3(F)F)c(C(F)(F)F)c1	846114385	UZTMSUFSRSACAO-BETUJISGSA-N	320.305	3.468	10	20	DGCD	
Cc1cc(O[C@H](C)C(=O)NCc2ccccc2O)ccc1Cl	748344865	DPLVVNIAIPLTLD-GFCCVEGCSA-N	319.788	3.438	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)c2cn[nH]c2)c1	746445841	DECDPEGTGGSTTI-UHFFFAOYSA-N	308.385	3.402	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCCC(F)(F)[C@H]2O)cc1	840886864	BGFIRGXMYUVEJJ-MAZHCROVSA-N	312.404	3.342	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(-n2cnnc2)c1	924899470	GFYQOZQBPNQUNA-CQSZACIVSA-N	320.396	3.053	10	20	DGCD	
CCOC(CCN[C@@H](C)c1ccc(Cl)cc1O)OCC	841751258	GUXQDKLBSAWSLJ-NSHDSACASA-N	301.814	3.485	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)CCOC2	854323650	DDQKAGDPYBCHOA-UHFFFAOYSA-N	324.424	3.098	10	20	DGCD	
COc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)ccn1	757649530	JDADRUFDJCRCMU-UHFFFAOYSA-N	311.429	3.321	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(C(=O)O)CCCC2)cc1	756299549	HWUACIYOZZMQAL-UHFFFAOYSA-N	304.434	3.267	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(F)cc(F)c1O	757614584	VLXLRJZIIVGJPB-SECBINFHSA-N	318.323	3.129	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1F	753857678	OMGWDPYYMXQVGR-UHFFFAOYSA-N	318.367	3.296	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)NCc2ccc(N(C)C)c(F)c2)n[nH]1	752924597	HTYTWOZOCSUMII-RYUDHWBXSA-N	319.428	3.374	10	20	DGCD	
CCc1csc(NCc2ccc(N3CCOCC3)c(F)c2)n1	756958394	AOYBERHLXMXSIF-UHFFFAOYSA-N	321.421	3.293	10	20	DGCD	
C[C@@H](NC[C@@H](O)COc1ccccc1)c1cc(Cl)ccc1O	756396763	JZTLUIIYICIXTO-TZMCWYRMSA-N	321.804	3.136	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)OC2CCCCCC2)c1	862758001	LJEKAETYHKLUDT-AWEZNQCLSA-N	305.418	3.445	10	20	DGCD	
COC(C)(C)c1nsc(N(C)Cc2ccc(N(C)C)cc2)n1	865414313	PFZPHJZAZFPYRW-UHFFFAOYSA-N	320.462	3.122	10	20	DGCD	
CCOc1cccc(CN2CCCN(C(C)(C)C)CC2)c1O	769188928	RSIANELVRFXYTH-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
CN(C)c1ccc(CN2CCCN(C3CCCC3)CC2)cc1F	769209193	QTTFXUJITOUCEQ-UHFFFAOYSA-N	319.468	3.342	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@]2(C)CO)cc1	760093528	DMAPJURXDQPCSN-IBGZPJMESA-N	312.413	3.081	10	20	DGCD	
CCN(Cc1cc(C)ccc1O)[C@H]1CCN(c2ccccc2)C1=O	769404234	PUVMPZYIWNJMTQ-SFHVURJKSA-N	324.424	3.328	10	20	DGCD	
CC(=O)N1CCN(Cc2c(C)cccc2O)CC12CCCCC2	876804134	MAAWSGUMSIJIEZ-UHFFFAOYSA-N	316.445	3.068	10	20	DGCD	
C[C@@H](NC(=O)C(=O)Nc1ccc(C2CC2)cc1)c1ccccc1O	874191364	GSDJVYXBZLKAKT-GFCCVEGCSA-N	324.380	3.086	10	20	DGCD	
Cc1cccc(O)c1CN[C@H](C)c1ccc([S@@](C)=O)cc1	877122416	SUZVBWDGHSADEF-LRTDBIEQSA-N	303.427	3.289	10	20	DGCD	
CCC(CC)n1nc(C)cc1C(=O)N(C)c1ccc(N)cc1	877075322	CMIFRJIDMDJACZ-UHFFFAOYSA-N	300.406	3.411	10	20	DGCD	
Cc1cccc2c1N(C1CC1)CCN2C(=O)/C=C\c1cccnc1	774520401	KACYTKIJMPEPLE-YFHOEESVSA-N	319.408	3.419	10	20	DGCD	
C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCO1	776342433	GPRNRJWSGKQXHA-RDJZCZTQSA-N	316.445	3.108	10	20	DGCD	
Cn1ccnc1[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1117644268	RJMGDURJKFXSJI-QGZVFWFLSA-N	310.445	3.010	10	20	DGCD	
CCCOc1ccc(CNCC2([S@@](C)=O)CCC2)cc1C	873119424	GNUYCQKNRMKFHV-OAQYLSRUSA-N	309.475	3.175	10	20	DGCD	
CC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1	773413238	GLMYPWLZZDWQQZ-RRQGHBQHSA-N	319.449	3.070	10	20	DGCD	
CC1(C)CCCN(CCNCc2cc(Cl)cc(F)c2O)C1	775185745	VQLMIXKTLSXISC-UHFFFAOYSA-N	314.832	3.396	10	20	DGCD	
CNC(=O)CCOc1ccc(N[C@H](C)c2ccccc2O)cc1	783532796	VGODDNOVUVYKHV-CYBMUJFWSA-N	314.385	3.080	10	20	DGCD	
CN(C)[C@H](CNCc1cc(F)cc(F)c1O)c1ccc(F)cc1	882904507	AUBVZFYMNWNREO-MRXNPFEDSA-N	324.346	3.202	10	20	DGCD	
COc1cccc(O)c1CN[C@H]1CCOc2c(F)cccc21	785549597	AXPJUYCFKWPCDV-AWEZNQCLSA-N	303.333	3.153	10	20	DGCD	
C[C@@H](Cc1ccccc1)NC(=S)N(C)Cc1ccccc1O	786060856	JCTGYYMQGSNXGM-AWEZNQCLSA-N	314.454	3.330	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1O	894359493	QGULUTZZVLXAKY-BMGDILEWSA-N	317.429	3.147	10	20	DGCD	
COc1ccc(CNCCc2ccc(C)cc2C)c(O)c1OC	892720114	KHPUNTVEFNYVJT-UHFFFAOYSA-N	315.413	3.359	10	20	DGCD	
COc1ccc(CNCc2ccc(F)c(C)c2)c(O)c1OC	892485363	HXRSWVCLLLZJMO-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccccc2SC)c(O)c1	797607422	XAGHHCSKXMUYSU-UHFFFAOYSA-N	318.398	3.444	10	20	DGCD	
CC[C@@H](C)CCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	797075035	SFEHLWUPZLUWAW-CQSZACIVSA-N	322.424	3.309	10	20	DGCD	
CCCN(Cc1ccc([S@@](C)=O)cc1)c1ccc(CN)cc1	1321026209	YALHBVAEQAMCBZ-JOCHJYFZSA-N	316.470	3.299	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2cnn(Cc3cccnc3)c2)c1	1320129723	GDXIAQQTJAAMIN-CYBMUJFWSA-N	324.384	3.214	10	20	DGCD	
c1cc2c(cc1CNCCOc1ccc3c(c1)CCC3)CCO2	1251727238	PTFWRPUCULUBBA-UHFFFAOYSA-N	309.409	3.279	10	20	DGCD	
Nc1ccc(CNC(=O)N2CC[C@H](c3ccccc3F)C2)cc1	1335737257	NRBZRQMQEDJODX-AWEZNQCLSA-N	313.376	3.107	10	20	DGCD	
COC(=O)c1ccccc1C(=O)Nc1cccc(N2CCCC2)c1	1357790467	BTPSWSZOEBYEIQ-UHFFFAOYSA-N	324.380	3.326	10	20	DGCD	
C[C@@H](NCCc1ccc(F)cc1)c1cc(C(=O)O)ccc1O	1604342602	ZASHKZLXFINSRG-LLVKDONJSA-N	303.333	3.123	10	20	DGCD	
CCc1cccc(CN[C@](C)(C(=O)O)c2ccc(F)cc2)c1O	1605828804	NLNHKDOKKMSYAH-SFHVURJKSA-N	317.360	3.183	10	20	DGCD	
C=C/C(C)=C/CC(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1	1752895252	ZSEJMCAFWJFGSY-SNQWNFELSA-N	316.445	3.120	10	20	DGCD	
CN(C)c1ccc2c(c1)CN([C@@H]1CC[C@@H](CC(=O)O)C1)CCC2	1777041168	CVHCCELARMFHIX-RDTXWAMCSA-N	316.445	3.144	10	20	DGCD	
COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1C	18150699	SFYRWMCFELRXEP-UHFFFAOYSA-N	312.413	3.342	10	20	DGCD	
Fc1cc(CNC2CCCCCC2)ccc1N1CCOCC1	69751495	WZOCTMWOXTVTAP-UHFFFAOYSA-N	306.425	3.475	10	20	DGCD	
CCCN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCNC1	71314542	JYQRUJJGERNLDS-GFCCVEGCSA-N	303.233	3.273	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cn1nccc1-c1ccncc1	104052481	BAKXZCXYXQDESB-UHFFFAOYSA-N	321.428	3.101	10	20	DGCD	
C[C@H](Cc1ccc(O)cc1)NCc1ccc(N(C)C)c(F)c1	113335934	KQQHOIWXTWYMIT-CYBMUJFWSA-N	302.393	3.318	10	20	DGCD	
COc1ccc(F)cc1C(=O)NCc1ccc(N(C)C)cc1C	115281062	VSMSFRMTPDFBLS-UHFFFAOYSA-N	316.376	3.139	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)cc1	119036232	NLBSNEQBTWFWMX-INIZCTEOSA-N	324.424	3.148	10	20	DGCD	
C[C@H](c1ccccc1F)N(C)Cc1cc2c(cc1O)OCO2	129734871	SUCSYARLRAZPIR-LLVKDONJSA-N	303.333	3.453	10	20	DGCD	
C[C@@H]1CN(Cc2cccc(Br)c2O)CCS1	131378133	DQDPTPINDPWGNN-SECBINFHSA-N	302.237	3.092	10	20	DGCD	
CCn1nccc1/C=C1/SC(Nc2cccc(C)c2)=NC1=O	152602147	IBVBOKGNMDKEBU-GXDHUFHOSA-N	312.398	3.294	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(F)cc3cccnc23)cc1	157321492	PRELLPGOPSCWKY-UHFFFAOYSA-N	323.371	3.370	10	20	DGCD	
Cc1ncccc1/C=C1\SC(=S)N(c2cccnc2)C1=O	171418152	IGTBEQHQLBWUHC-JYRVWZFOSA-N	313.407	3.191	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCCCCC1	173196864	QLYYITBCWQCHAL-UHFFFAOYSA-N	302.418	3.448	10	20	DGCD	
O=C(CCC1CCC1)NCc1ccc(N2CCSCC2)cc1	176040772	STUFUSWNTIFLQK-UHFFFAOYSA-N	318.486	3.436	10	20	DGCD	
COCCOc1cccc(CN(C)c2ccc(OC)c(F)c2)c1	180774025	VGTWGGVTXXJEJJ-UHFFFAOYSA-N	319.376	3.496	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCC(=O)OC(C)(C)C)c1	182413590	FSKOYQCTCAJJDP-GFCCVEGCSA-N	309.406	3.173	10	20	DGCD	
COc1ccc(COCCN[C@@H](C)c2ccc(F)cc2O)cc1	185860927	OZNMTSAWPPDWJD-ZDUSSCGKSA-N	319.376	3.407	10	20	DGCD	
COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2cc(F)ccc2O)CC1	186763023	BEWXPRZKBXPIBL-NEPJUHHUSA-N	324.396	3.049	10	20	DGCD	
CCN(C)C(=O)CN[C@H](C)c1ccc(N2CCCCCC2)cc1	186822755	XKFHFWSSKYVCOT-MRXNPFEDSA-N	317.477	3.196	10	20	DGCD	
CCc1cccc(S(=O)(=O)Nc2ccc(O)cc2SC)c1	192155461	OTMDRWGZFNYXLD-UHFFFAOYSA-N	323.439	3.477	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCc1ccc2ncccc2c1	194579372	VQJLBCZRXWRMMG-UHFFFAOYSA-N	321.380	3.282	10	20	DGCD	
CCCN(Cc1ccc(OC)c(C#N)c1)c1ccc(CN)cc1	194981127	QWQWEKSMQUHCQL-UHFFFAOYSA-N	309.413	3.442	10	20	DGCD	
C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccccc1O	266552318	MOOREKAYVCENGE-ZDUSSCGKSA-N	301.361	3.416	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@H]1CCOC2(CCC2)C1	268998165	YIKPVDRDMJGVLQ-KRWDZBQOSA-N	300.446	3.478	10	20	DGCD	
c1ccn2c(NCc3ccc(N4CCCCC4)cc3)nnc2c1	271964727	UYRSZALHZIOXNA-UHFFFAOYSA-N	307.401	3.332	10	20	DGCD	
C[C@H](C[S@@](C)=O)N(C)Cc1cc(-c2ccccc2)ccc1O	275300876	QLWUCNARZNWHGD-JLCFBVMHSA-N	317.454	3.258	10	20	DGCD	
COc1ccc([C@H](CN(C)C)N[C@H](C)c2ccccc2O)cc1	284241351	FCOVWOLSLLVQHB-KDOFPFPSSA-N	314.429	3.354	10	20	DGCD	
C[C@@H](NCc1cncn1C)c1cc(Cl)c(Cl)cc1O	289980713	XXNBXMGVYWMXRQ-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
CCOc1cccc(CN[C@@H](C(C)C)C2(CO)CCC2)c1O	292750957	IKOPTEUGFQNMLM-KRWDZBQOSA-N	307.434	3.068	10	20	DGCD	
CC(C)(C)OCc1cc(CN[C@@H]2CCc3cccc(O)c32)no1	296383268	JHVGVMXJKAKOAW-OAHLLOKOSA-N	316.401	3.472	10	20	DGCD	
CC(C)(COCc1ccccc1)C(=O)NCc1ccc(N)cc1	297309853	WCOCOFASPIABTH-UHFFFAOYSA-N	312.413	3.128	10	20	DGCD	
CC(C)c1noc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1	301316926	AJRUYZAAKAPJJI-CYBMUJFWSA-N	316.405	3.203	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1F	302962513	GUHKYHZBRQMQSX-UHFFFAOYSA-N	306.768	3.475	10	20	DGCD	
CCc1cc(C(=O)NCc2c(C)c3ccccc3n2C)cc(O)n1	352125922	NXHPCIMGXCHFEW-UHFFFAOYSA-N	323.396	3.080	10	20	DGCD	
COc1ccc(CN[C@@H](C)CCOCc2ccccc2)c(O)c1	389971279	VCOHNJZFKBCUIH-HNNXBMFYSA-N	315.413	3.486	10	20	DGCD	
C[C@H]1CCCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	424706962	ZSMVFJOIAOMXBX-ZFWWWQNUSA-N	302.418	3.304	10	20	DGCD	
CC[C@H](NCc1n[nH]cc1Br)c1ccccc1O	718126280	DJGSCLAQLAVPNE-NSHDSACASA-N	310.195	3.119	10	20	DGCD	
CSCCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	726278451	HGBXRKICVVVYNH-UHFFFAOYSA-N	321.490	3.181	10	20	DGCD	
Cc1cccc2[nH]cc(CC(=O)NCc3ccc(N(C)C)cc3)c12	728804946	OPDPKHMNDSMYAD-UHFFFAOYSA-N	321.424	3.401	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2cccnc2Cl)cc1	732411263	ZNYBXKYZKFLKJY-UHFFFAOYSA-N	319.836	3.312	10	20	DGCD	
CCOc1ccc(N(CC)Cc2nnnn2-c2ccccc2)cc1	746159147	PNFODZSKGKOKBB-UHFFFAOYSA-N	323.400	3.088	10	20	DGCD	
Oc1ccccc1CNC(=S)NC12CC3CC(CC(C3)C1)C2	751007376	CSKNZILXVBMICG-UHFFFAOYSA-N	316.470	3.325	10	20	DGCD	
C[C@H](C[C@H](O)c1ccco1)N[C@H](C)c1cc(F)cc(F)c1O	756677182	PZVGMFOMHLEBCX-RULNRJAQSA-N	311.328	3.426	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C(C)C)C2CCCC2)cc1F	757852290	JLSFWICTALEGLN-UHFFFAOYSA-N	322.424	3.450	10	20	DGCD	
COc1ccc(C[C@@H](C)CNC(=O)c2cc(O)cs2)cc1	760855630	FQPLHLRGLCRWAU-LLVKDONJSA-N	305.399	3.071	10	20	DGCD	
CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C)c(O)c1O	768612859	XAJKABQTKBWBDL-HNNXBMFYSA-N	311.381	3.383	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2nnc3ccccn23)cc1	769204892	VVRHXIGRMTYCKT-UHFFFAOYSA-N	323.444	3.208	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1	770500506	DHUHKLIYEXSVPF-UHFFFAOYSA-N	300.377	3.299	10	20	DGCD	
Cc1ccc2[nH]c(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2c1	773751011	ZEIWKRAHBVFEPB-LBPRGKRZSA-N	324.380	3.249	10	20	DGCD	
C[C@@H](NC(=O)/C=C\c1cncc(F)c1)c1ccc(N(C)C)cc1	775402766	CJCJEEPRZJMHRF-VVOKDJNJSA-N	313.376	3.177	10	20	DGCD	
CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cccc(Cl)c1O	775720273	KPMKHXMBXUQURR-HUUCEWRRSA-N	324.852	3.267	10	20	DGCD	
Oc1ccc(F)cc1CN(Cc1ccccc1)Cc1cc[nH]n1	779011046	YUGYIONWUGIBOY-UHFFFAOYSA-N	311.360	3.457	10	20	DGCD	
Cc1noc(C2(C)CCN(Cc3c(O)cccc3Cl)CC2)n1	781528776	FFRMPRBRHFFKKR-UHFFFAOYSA-N	321.808	3.291	10	20	DGCD	
Cc1c(N[C@@H](C)c2ccccc2O)cccc1N1CCNC1=O	786985170	LZXRPXOWUPTNTC-ZDUSSCGKSA-N	311.385	3.403	10	20	DGCD	
CC(C)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1	789957541	UAYQCKOLTYUTQR-CYBMUJFWSA-N	317.360	3.407	10	20	DGCD	
Cc1cc(CN2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1N(C)C	815118667	QYRMEVIPPBEJTF-QFBILLFUSA-N	301.478	3.120	10	20	DGCD	
CC[C@H](NCc1cc(Br)cc(OC)c1O)C(F)F	824510673	YNQKMBIFSJEPDH-VIFPVBQESA-N	324.165	3.297	10	20	DGCD	
O=C(NCc1cc2c(s1)CCCC2)c1c(F)ccc(O)c1O	825493110	KHFLEZHKRUOUFR-UHFFFAOYSA-N	321.373	3.107	10	20	DGCD	
COc1cc(CN2C[C@@H](C)[C@](C)(CO)C2)c(O)c(C(C)(C)C)c1	827692393	IIXVKAJMRAJELX-YJYMSZOUSA-N	321.461	3.149	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)C3CCC3)CC2)cc1	837385772	DOEIYTJIWYPVAS-AWEZNQCLSA-N	316.445	3.216	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1Cc2ccccc21	839918450	MDAGRGXZDKWSQB-YWZLYKJASA-N	322.452	3.448	10	20	DGCD	
Cc1ccc([C@@H](C)NCC(C)(C)C2(O)CCOCC2)c(O)c1C	841762175	NDAJKZTWSZXAQT-OAHLLOKOSA-N	321.461	3.227	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C1(CO)CC1	850362102	YRYARMRCYOPJCA-NSHDSACASA-N	316.367	3.022	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H]1CCCn2nccc21	850474318	MAPBDKFONLYOIF-CRAIPNDOSA-N	312.461	3.313	10	20	DGCD	
Cc1cccc(OCCCC(=O)NCc2cc(C)ccc2O)c1	862761126	FNHPEADKHWVTCX-UHFFFAOYSA-N	313.397	3.484	10	20	DGCD	
Cc1ncccc1CCNCc1cccc(Br)c1O	898257425	VLMCTEOWIUVVAC-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
CCN(C[C@H](O)c1cccc(F)c1)c1ccc(OC)c(OC)c1	921061351	CQXWBYVAFWGLPD-INIZCTEOSA-N	319.376	3.403	10	20	DGCD	
C[C@@]1(NCc2ccc(N3CCCC3)cc2)CCO[C@@H]1C1CC1	1254572782	CNZWJWOWAJKIFO-RTBURBONSA-N	300.446	3.334	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1320422152	BPIVKUYZBMAGMG-MAUKXSAKSA-N	319.468	3.198	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@H]2c2ccsc2)cc1	1336289899	CPAXQLVAEMLUPV-HNNXBMFYSA-N	301.415	3.377	10	20	DGCD	
COc1cccc(O)c1CNc1cccc([C@H](C)C(=O)O)c1	1607326672	QZGSGQOXDHTCFV-NSHDSACASA-N	301.342	3.201	10	20	DGCD	
CC1(C)CC(NCc2cc(Cl)cc(Cl)c2O)(C(=O)O)C1	1776538257	PQXUIZJNYNXXTF-UHFFFAOYSA-N	318.200	3.432	10	20	DGCD	
CCOc1cccc(CNc2cc(OC)ccc2OC)c1O	119937256	NYSAOABNHOGGFD-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
C[C@H](NCCCOCC(F)(F)F)c1ccc(N(C)C)cc1	177919870	QBLHJQWDYCRGJI-LBPRGKRZSA-N	304.356	3.372	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cc(Br)cn1C	179586187	WQFVBQJRAYWMTN-UHFFFAOYSA-N	309.207	3.125	10	20	DGCD	
C[C@H](N[C@H](C)CO[C@@H]1CCOC1)c1ccc2ccccc2c1O	185673477	UJURBEHJQQPTDF-IJEWVQPXSA-N	315.413	3.390	10	20	DGCD	
COCC1=CCN(Cc2ccc(N3CCCCC3)cc2)CC1	187617364	BGKDHKQOKSAWJB-UHFFFAOYSA-N	300.446	3.455	10	20	DGCD	
C[C@@H]1[C@H](NCc2ccccc2O)CCCN1C(=O)OC(C)(C)C	189520860	VKDSPHKENGNHLX-UKRRQHHQSA-N	320.433	3.270	10	20	DGCD	
CCN(CC)c1ccc(CNc2cccnc2-n2cncn2)cc1	194376546	OEAVBOHIYRULRY-UHFFFAOYSA-N	322.416	3.121	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@H](C)c2cc(F)ccc2O)cc1	191585677	HERLZNQUANFHEM-CZUORRHYSA-N	303.377	3.094	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2CCOc3ccc(F)cc32)s1	88266414	HCXLQARVRNAGPC-HWKANZROSA-N	304.346	3.029	10	20	DGCD	
CCOCc1ccccc1CNCc1cc(OC)ccc1O	236989665	LAGCMQLPTAJWRZ-UHFFFAOYSA-N	301.386	3.227	10	20	DGCD	
Cc1ccc([C@@H](CNCc2ccccc2O)N2CCCC2)o1	237887248	IZOSBNUDBUDJDB-MRXNPFEDSA-N	300.402	3.220	10	20	DGCD	
Nc1ccc(CC(=O)N2CCSC3(CCCCC3)C2)cc1	237895049	JFOBEURAGBZOBB-UHFFFAOYSA-N	304.459	3.090	10	20	DGCD	
CCn1cnnc1CN[C@H](C)c1ccc(Cl)c(Cl)c1O	273435793	WZGBFDDPXDOTDW-MRVPVSSYSA-N	315.204	3.161	10	20	DGCD	
CC(C)c1scnc1C(=O)NCc1ccc(N(C)C)cc1	289334648	IDYDEQUPYQRIQG-UHFFFAOYSA-N	303.431	3.263	10	20	DGCD	
CCO[C@@H](CCN(C)C)CN[C@H](C)c1c(C)cc(C)cc1O	284297106	YKELALAXAUHOJN-CVEARBPZSA-N	308.466	3.016	10	20	DGCD	
CC[C@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(F)cc1O	285820578	WKEOGOQYZCQVBN-GJZGRUSLSA-N	306.381	3.468	10	20	DGCD	
CC[C@H](NCCSCCCO)c1cccc(Cl)c1O	287834291	VVJXBWACIIYPSL-ZDUSSCGKSA-N	303.855	3.202	10	20	DGCD	
COc1cccc(CN(C)CCCOCc2ccccc2)c1O	281337921	SKPCCRZHKGLPQS-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](C(C)C)C2(CO)CCC2)c1O	293138653	STKZHKNQPUFVMG-QGZVFWFLSA-N	323.408	3.011	10	20	DGCD	
CCCN(c1ccc(CN)cc1)C1CCN(c2ccncc2)CC1	298068875	KUHLLCKMHRBBMS-UHFFFAOYSA-N	324.472	3.426	10	20	DGCD	
FC1(F)CCC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1	800277475	UAPPKJXEWOSQES-INIZCTEOSA-N	324.415	3.438	10	20	DGCD	
CC[C@H](NCCC(=O)NC(C)(C)C)c1cccc(Cl)c1O	806146625	WCLABVWYSNMSRN-ZDUSSCGKSA-N	312.841	3.391	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(F)c[nH]1	816682283	UHSDPLIPXXROJD-UHFFFAOYSA-N	303.120	3.096	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CC[C@@H](N)CC1CCCCC1	818076208	DHEAHBNFEMAQPC-QGZVFWFLSA-N	318.461	3.429	10	20	DGCD	
Cc1cc(O)c(CNC[C@]2(CO)C[C@@H]2c2ccccc2)cc1C	810165433	RYGBXNXYHQYKGH-QUCCMNQESA-N	311.425	3.265	10	20	DGCD	
COC(=O)c1cnc(SCC(=O)CC(C)(C)C2CC2)s1	829677963	TVFUSWNLYLKNJC-UHFFFAOYSA-N	313.444	3.417	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@]2(C)CC=CCC2)cc1F	838027862	AFKQRWJUOGAGNQ-KRWDZBQOSA-N	305.397	3.190	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CNCCCON)cc1	904455750	AUAQJRUZBOCFOO-UHFFFAOYSA-N	313.445	3.083	10	20	DGCD	
COc1ccc(C(=O)NCCCSc2nccs2)c(C)c1	742074035	ODTGHABLBZIUKQ-UHFFFAOYSA-N	322.455	3.372	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H](C)O[C@H]1C	840432825	HFDDQFBFILCSTI-DZKIICNBSA-N	320.433	3.127	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CN)C(C)(C)C)c(C(F)(F)F)c1	841087159	JQJUSKYJSLRCET-CQSZACIVSA-N	317.399	3.234	10	20	DGCD	
COCc1cc(N[C@H](C)Cc2ccc(N(C)C)cc2C)ncn1	840384299	HBIWGCWQYGZZSK-CQSZACIVSA-N	314.433	3.041	10	20	DGCD	
C[C@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1	840883418	ZMZKWIIFEPGODK-YOEHRIQHSA-N	316.420	3.318	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1	841954726	OMBFHOXTCSPWHW-SFHVURJKSA-N	323.440	3.086	10	20	DGCD	
Nc1ccc(Cc2noc(-c3cc4c(s3)CCOC4)n2)cc1	843159505	ROSAIDGXIBNGFH-UHFFFAOYSA-N	313.382	3.044	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H](c1cccs1)C1CC1	748462228	CEGDXPWVSDINKD-OAHLLOKOSA-N	302.399	3.404	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cnc(Br)cn1	840884116	JBYSABOJFFDPEM-UHFFFAOYSA-N	321.222	3.226	10	20	DGCD	
C[S@@](=O)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1	921823030	NTMKBQOFFBMIMG-JOCHJYFZSA-N	315.438	3.039	10	20	DGCD	
CCOCCOCCN(Cc1ccccc1O)C1CCCC1	929634252	BVZZYZJLUSISLX-UHFFFAOYSA-N	307.434	3.190	10	20	DGCD	
C[C@H](CNCc1cc(F)c(N(C)C)cc1F)c1nccs1	858156397	HFBPZFDTEIXHMN-SNVBAGLBSA-N	311.401	3.381	10	20	DGCD	
C[C@H](NCc1noc(C2CCC2)n1)c1ccc(N(C)C)cc1	859258336	MTXXYTYKBYSPBC-LBPRGKRZSA-N	300.406	3.254	10	20	DGCD	
C[C@H](NC[C@H](O)[C@@H](C)c1ccccc1)c1ccc(F)cc1O	850573480	MQUJONXAZGUTOW-LXIYXOSZSA-N	303.377	3.347	10	20	DGCD	
Cc1nn(C)cc1[C@H](C)N[C@H]1C[C@H](C)c2c(F)ccc(O)c21	756537080	ZTFNCEFKNIIUOV-BHDSKKPTSA-N	303.381	3.472	10	20	DGCD	
C[C@H](NCCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O	756603277	AEHBZCCHJRSAFD-VIFPVBQESA-N	301.333	3.053	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(-c2ccccc2)ns1	769361691	SAXPOCGVBYLEKF-UHFFFAOYSA-N	310.378	3.446	10	20	DGCD	
C[C@@H](C(=O)NCCCSc1nccs1)c1cccc(O)c1	932686959	OBBDJKWLAJUTSR-LLVKDONJSA-N	322.455	3.251	10	20	DGCD	
CN(C)c1ccc(CN(CCCO)Cc2ccccc2)cc1F	769325725	AAASIADKORYGJC-UHFFFAOYSA-N	316.420	3.276	10	20	DGCD	
CCCN1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)[C@H]1CC	761577309	GBIMFAPVUSMQFR-XJKSGUPXSA-N	317.433	3.266	10	20	DGCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1ccccc1	768465609	IVPKJZBORJKJBV-QHLBDZCJSA-N	311.381	3.011	10	20	DGCD	
Cc1ccc(CN[C@H](C)CCCNC(=O)OC(C)(C)C)c(O)c1	877557105	NJCJSVXKHPKHPY-CQSZACIVSA-N	322.449	3.484	10	20	DGCD	
CN(CC1CC1)C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	769516959	WOLMVMUJHLBELL-KRWDZBQOSA-N	319.468	3.055	10	20	DGCD	
CCCN(CC(=O)OC)Cc1cc(-c2ccccc2)ccc1O	771934637	BSTVYFZPDIZWKK-UHFFFAOYSA-N	313.397	3.444	10	20	DGCD	
Cc1cccc2c1C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N2	876872944	QZFSNWUIBJFGBY-IBGZPJMESA-N	323.440	3.056	10	20	DGCD	
COC[C@@H](NCc1ccc(C)cc1O)c1ccc(F)c(F)c1	877132889	QFOVTKZWAGFXBG-MRXNPFEDSA-N	307.340	3.456	10	20	DGCD	
Cc1ccc2c(c1)CCCN2C(=O)/C=C\c1ccc(O)c(O)c1	779475084	IFGWOMLPINJJNJ-TWGQIWQCSA-N	309.365	3.399	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2[C@@H](C)CCC[C@H]2C)c1O	774980900	FAYHCNGBOFQFQU-YABSGUDNSA-N	308.378	3.223	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)Cc1ncc(Cl)n1C	779162696	YSOTYOBTPVYYEJ-UHFFFAOYSA-N	318.179	3.204	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1nc2c(s1)CCC2	775634919	ZPRUTQQJXXYWJD-UHFFFAOYSA-N	301.459	3.330	10	20	DGCD	
CC[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N(CC)CC	775406615	YUIHIYMDNOBKQU-WMLDXEAASA-N	305.466	3.050	10	20	DGCD	
C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1c(O)cccc1F	886532234	GHLNWSCPQOMCET-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
CCn1cnc2c1CCN(Cc1c(O)ccc3ccccc13)C2	897337128	WDPXDLSDZOBTNI-UHFFFAOYSA-N	307.397	3.320	10	20	DGCD	
C[C@@H](O)CCN(C)Cc1cc(Cl)cc(Br)c1O	894033268	FNFAXPLJQFYJKD-MRVPVSSYSA-N	322.630	3.011	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)c(O)c1O	781048273	HHLIHKWVVUQLKO-UWVGGRQHSA-N	317.307	3.209	10	20	DGCD	
CC[C@@H](N[C@@H](C)CCCO)c1cc(Br)ccc1O	94942159	NHSOQRQQGJKQRB-GXFFZTMASA-N	316.239	3.356	10	20	DGCD	
Cc1ccc(C(=O)N2CCCCc3sccc32)c(O)c1O	798047345	SCPOTRIKUWCRRV-UHFFFAOYSA-N	303.383	3.451	10	20	DGCD	
C[C@H](O)C[C@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1	796343080	PONFNXVEQKXDCD-IRXDYDNUSA-N	324.468	3.498	10	20	DGCD	
OC[C@H](CNCc1c(O)ccc(Cl)c1F)Cc1ccccc1	790955221	CQVNJFCFGMMMME-ZDUSSCGKSA-N	323.795	3.126	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCCc2cncn2C)cc1	793252755	PDRCMIVREILVPD-UHFFFAOYSA-N	323.396	3.227	10	20	DGCD	
CC[C@H](CO)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1317800081	JINZTJVEKNYDDY-CYBMUJFWSA-N	320.820	3.248	10	20	DGCD	
CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cc(O)ccc1O	1317888843	BRFCGWLPRMHVQP-QGZVFWFLSA-N	312.369	3.320	10	20	DGCD	
CN(CCC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)cc1	1254027831	MZWZWUFOGJGHRV-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
CCN(C)C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1341569512	PUJKOSAJJVWIOA-SFHVURJKSA-N	301.478	3.060	10	20	DGCD	
COc1cc(OC)cc([C@@H](C)OC(=O)Cc2ccc(N)cc2)c1	1579170953	IPZONZHYCFGDGX-GFCCVEGCSA-N	315.369	3.133	10	20	DGCD	
CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(N)cc1	1577665629	JKSBKWVHKPVGLO-UHFFFAOYSA-N	319.355	3.008	10	20	DGCD	
C=C/C(C)=C/CC(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1	1752895251	ZSEJMCAFWJFGSY-KAMPRCONSA-N	316.445	3.120	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCOC[C@@H]2CCOC2)cc1	158128964	DRCSLCSGLHDJCZ-IRXDYDNUSA-N	320.477	3.237	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](c2ccccc2)C2CC2)c1O	158643756	WSODJQWHMYRFFE-QGZVFWFLSA-N	311.381	3.211	10	20	DGCD	
Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)oc1C	163619323	QNLWZZBIKMIPLJ-UHFFFAOYSA-N	300.358	3.002	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC=CCC1	60128016	OVZYLKVQDLRCMQ-OAHLLOKOSA-N	301.434	3.250	10	20	DGCD	
COc1cc(N(C)Cc2ccccc2)c([N+](=O)[O-])cc1OC	301867553	BXJVGJLBYRIDJG-UHFFFAOYSA-N	302.330	3.248	10	20	DGCD	
CCS[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C	66603095	UYEMCQNWIBQJAQ-INIZCTEOSA-N	308.491	3.489	10	20	DGCD	
COc1cc(O)c(CN2CCCc3ccccc3C2)cc1OC	179444322	OZWZBBJIXNRCBQ-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
COc1ccccc1[C@@H](C)NC(=O)CSc1nccs1	60737903	VMYXPMSSORCZMM-SNVBAGLBSA-N	308.428	3.121	10	20	DGCD	
C[C@H](NC1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1O	185291694	GZCLXPIGDLUXTR-JTQLQIEISA-N	320.330	3.209	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC2CCN(C(=O)CC(C)C)CC2)c1	185214959	MJMNTUFRVWTSCR-HNNXBMFYSA-N	318.461	3.388	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC(O)(c2ccccc2)CC1	185639973	BYAMMANCQGRKRM-UHFFFAOYSA-N	301.361	3.015	10	20	DGCD	
CCOCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	47062322	UTRSIAJEKRUCGB-UHFFFAOYSA-N	318.461	3.452	10	20	DGCD	
CC[C@]1(CO)CCCN1Cc1ccc(N2CCCCC2)cc1	191957160	UMNQZWLNBOUHBB-LJQANCHMSA-N	302.462	3.414	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)[nH]c2c1	324210686	NZJAIFYDVOMSMK-OLZOCXBDSA-N	324.428	3.334	10	20	DGCD	
COc1ccc(C[C@@H](C)NCc2cc(C)ccc2O)cc1OC	237221859	SVQXTIAWTYLWLD-CQSZACIVSA-N	315.413	3.439	10	20	DGCD	
CC[C@@H](CNC(=O)Cc1ccc(N)cc1)Oc1cccc(C)c1	236960946	SCAOTCOTXXIPKT-KRWDZBQOSA-N	312.413	3.094	10	20	DGCD	
COCC(C)(C)N(C)Cc1cc(Br)ccc1O	292746125	HZEFUOCTTDVIRH-UHFFFAOYSA-N	302.212	3.012	10	20	DGCD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1(C)C	275565360	WUTSIRSRIGDCHL-CJNGLKHVSA-N	316.445	3.010	10	20	DGCD	
CCCc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)co1	273524984	BUNOPRAHHDYKDV-UHFFFAOYSA-N	313.401	3.157	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC[S@]1=O	277334962	CQUXPTYIWGNZKZ-ZRNGKTOUSA-N	322.257	3.042	10	20	DGCD	
CC[C@@H](NCCN(C)CCCOC)c1cccc(Cl)c1O	287841284	WFVRVNOWZABFCJ-OAHLLOKOSA-N	314.857	3.055	10	20	DGCD	
C[C@H](O)C[C@@H](C)CNCc1ccc(N(C)C)cc1C(F)(F)F	280920535	PPOLWYVQAKEGDH-NEPJUHHUSA-N	318.383	3.268	10	20	DGCD	
CC1=C(C)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1	382934957	OGTUDVYAGUTNOK-XQRVVYSFSA-N	302.330	3.239	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1cccc3c1OCCCO3)CC2	297120932	YOCQNZKYJZTZJO-OAHLLOKOSA-N	311.381	3.331	10	20	DGCD	
CCC(CC)(CNCc1cc(Cl)c(F)cc1O)C(=O)O	818629952	GYLXFHWUNUFDSB-UHFFFAOYSA-N	303.761	3.165	10	20	DGCD	
CC1(CCNC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1	818001172	YQNSJORAAJBBNI-UHFFFAOYSA-N	315.442	3.236	10	20	DGCD	
C[C@H](NCc1cn(C)cn1)c1ccc(Cl)c(Cl)c1O	903350694	DSFQPPJRGSZDGS-QMMMGPOBSA-N	300.189	3.283	10	20	DGCD	
CC1(C)[C@H]2CN(Cc3c(O)c(C(=O)O)cc4ccccc34)C[C@H]21	736727559	YQFCJLZOJOAVHT-IYBDPMFKSA-N	311.381	3.331	10	20	DGCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)CC1CCCC1	732202920	IQNJUOQWSXRCNI-UHFFFAOYSA-N	311.809	3.211	10	20	DGCD	
Cc1cccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1	745984086	LYZJEEMQKIDLNU-GOSISDBHSA-N	312.413	3.277	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NC3(C4CCC4)CC3)ccc21	844934257	NTIAJOKDAJKYEF-UHFFFAOYSA-N	313.445	3.201	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2nc(C)c(C)s2)cc1	844401181	KUNQNGZCFDNEAG-UHFFFAOYSA-N	319.474	3.337	10	20	DGCD	
COCCN(Cc1ccc(N(C)C)cc1C)CC(F)(F)F	840912696	UHGNZIYDDCREOI-UHFFFAOYSA-N	304.356	3.072	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H]2CCCN(C(C)C)C2)c1O	846143232	CWAYKMOVKWXOHJ-CABCVRRESA-N	306.450	3.172	10	20	DGCD	
CC(C)[C@@H](C)N(C)C(=O)NCc1ccc2c(c1)CCCN2C	746982629	FKJQAMVHIYZYFR-CQSZACIVSA-N	303.450	3.255	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C12CCC2	841298170	MZMJLFLQKAETNH-HUUCEWRRSA-N	303.406	3.080	10	20	DGCD	
C[C@H]1C[C@H](CN(C)Cc2ccc(N3CCCCC3)cc2)CCN1	841003264	PDVJFGZHKCAUQH-PKOBYXMFSA-N	315.505	3.497	10	20	DGCD	
Cc1cc(Br)c(O)c(CNc2nncn2C2CC2)c1	922658039	IBOREPSDPJCQHX-UHFFFAOYSA-N	323.194	3.002	10	20	DGCD	
C[C@H](NC(=O)Nc1cccc(CN)c1)c1ccc(N(C)C)cc1	841304163	NDHGPBBSKBIJFC-ZDUSSCGKSA-N	312.417	3.094	10	20	DGCD	
CCOc1cccc(CN[C@H](C)CN2CCC(C)CC2)c1O	850387661	XHVRUIXRGFZLGA-OAHLLOKOSA-N	306.450	3.001	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCN2C[C@@H](C)C[C@@H](C)C2)c1	756415904	MDOQGGONRNWQJM-ZNMIVQPWSA-N	306.450	3.029	10	20	DGCD	
COCCC(C)(C)CNCc1cc(F)c(N(C)C)cc1F	858157520	YKKFONCYPFGCDM-UHFFFAOYSA-N	300.393	3.183	10	20	DGCD	
CC(C)[C@H]1OCCC[C@@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756736367	MZBOTCYMNMUVDP-OGHNNQOOSA-N	322.405	3.402	10	20	DGCD	
CCOC(=O)/C=C\CSc1ncc(-c2ccccc2)n1C	755626696	PTOBFRQRUJLNEV-YFHOEESVSA-N	302.399	3.299	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1ccccc1F)c1cc(F)cc(F)c1O	756455720	ASAMIKGOIRVRID-RFAUZJTJSA-N	311.303	3.194	10	20	DGCD	
C[C@@H](NCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O	756463804	DJVCZBDLQJQTGT-LLVKDONJSA-N	320.320	3.169	10	20	DGCD	
C[C@H](CCc1ccco1)NC(=O)N[C@H](C)c1ccccc1O	867984827	PHNIHUBJMPBPJA-CHWSQXEVSA-N	302.374	3.367	10	20	DGCD	
CC(C)N(CC[C@@H]1CCCN1C)Cc1ccc(N(C)C)cc1	767349425	SZSTUBPYMQGPPZ-IBGZPJMESA-N	303.494	3.447	10	20	DGCD	
CC[C@H](C)n1ncc(NC(=O)NCc2cc(C)ccc2O)c1C	861014605	PCSAQGSYJNEEOY-LBPRGKRZSA-N	316.405	3.498	10	20	DGCD	
CC(C)(C)OC1CC(CCNCc2cc([N+](=O)[O-])ccc2O)C1	762460344	JIBFOFJHUFMNBW-UHFFFAOYSA-N	322.405	3.374	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cnn(CC)c2)cc1	768207992	LFCFSIYVQNPCES-UHFFFAOYSA-N	300.450	3.381	10	20	DGCD	
C[C@@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1O	879649647	RPNFNBARLZOHRF-CYBMUJFWSA-N	310.397	3.170	10	20	DGCD	
CN(C)c1ccc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1	877857720	YOONNRLOQHXAAH-OAHLLOKOSA-N	303.450	3.008	10	20	DGCD	
Cc1cnccc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	777638649	XAGXWMRNZBCXTL-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
CC(C)Nc1ccccc1NCc1ccc(S(C)(=O)=O)o1	871846317	WHHLXSXMGIWGCC-UHFFFAOYSA-N	308.403	3.116	10	20	DGCD	
CCC[C@]1(CO)CCCN1Cc1cc(Cl)cc(F)c1O	775178302	VQYAOSRAWIIMBF-OAHLLOKOSA-N	301.789	3.312	10	20	DGCD	
COc1ccccc1OCCN[C@H](C)c1c(O)cccc1F	886491895	VUZVEZLEMXXEIY-GFCCVEGCSA-N	305.349	3.270	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCCN2CCCO[C@H](C)C2)c(O)c1	788783714	NSFRFCACQFUTFO-IAGOWNOFSA-N	320.477	3.161	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@H]1[C@H]2c3ccccc3C[C@H]21	883049259	IKERWPSSUAAMEJ-UXLLHSPISA-N	301.336	3.346	10	20	DGCD	
C[C@@H](NC[C@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1O	790495873	CZEMILOMOBHVDA-IAQYHMDHSA-N	312.404	3.441	10	20	DGCD	
CSc1ccccc1CN(C)Cc1cc2c(cc1O)OCO2	793232809	NVSCGMVWAFYYQS-UHFFFAOYSA-N	317.410	3.475	10	20	DGCD	
CC[C@@H]1CCC[C@H]1C(=O)NCCNCc1ccc(OC)c(C)c1	1133442818	JXUPCFYMPIYVKA-IAGOWNOFSA-N	318.461	3.036	10	20	DGCD	
C[C@@H]1N(Cc2c(O)cccc2Br)CCOC1(C)C	707128014	QQYYJFAOWKWJAM-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
CC[C@H](N[C@H](CO)c1ccccc1OC)c1ccc(C)cc1O	794812430	WSDYQUULWQFEKZ-DLBZAZTESA-N	315.413	3.484	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(Br)cs1	748346542	LJOQXFFQONAPRX-UHFFFAOYSA-N	312.188	3.146	10	20	DGCD	
Cc1cc(-c2nnc([C@@H]3C[C@H]3[N+](=O)[O-])o2)c(C)n1-c1ccccc1	1327319038	UCTCQVPERFZQNG-HUUCEWRRSA-N	324.340	3.277	10	20	DGCD	
COc1cccc(CNC(=O)C2C[C@H]3CCC[C@H](C2)C3)c1O	1326461486	TUDJWEQYHQNSGH-STQMWFEESA-N	303.402	3.233	10	20	DGCD	
C[C@@H](Sc1ncc(Cl)s1)C(=O)NCc1ccco1	1261599440	XTHQSRSPCNLHHS-SSDOTTSWSA-N	302.808	3.187	10	20	DGCD	
Cc1nc2ccccc2nc1CSc1ncc(C(=O)O)s1	1600730585	SNYONZWIXMTFPS-UHFFFAOYSA-N	317.395	3.385	10	20	DGCD	
O=C(CCSc1ccc(F)cc1)NCc1ccc(O)c(O)c1	158930444	MUYXUDXYEPAEIZ-UHFFFAOYSA-N	321.373	3.036	10	20	DGCD	
C[C@H](N[C@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1	159649695	JOPITBZAADKEMX-ZFWWWQNUSA-N	324.465	3.209	10	20	DGCD	
COc1cccc(CNC(=O)/C=C(\C)c2ccc(F)cc2)c1O	171486698	CIRCBKQYYRXHTG-ZRDIBKRKSA-N	315.344	3.260	10	20	DGCD	
CC(C)N(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(C)C	110291612	WMTWCAUPJGPGRU-JXMROGBWSA-N	316.445	3.182	10	20	DGCD	
Cn1cc(CN2CCCc3ccccc32)c(-c2cccnc2)n1	180412060	XNXZMWYNOQWGLN-UHFFFAOYSA-N	304.397	3.435	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCC2(C)C)c1	78366031	CVQWCWZLKKNJSU-ABAIWWIYSA-N	306.406	3.340	10	20	DGCD	
C[C@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(F)cc1O	186230464	PPHNPOOGVAFVOZ-JSGCOSHPSA-N	309.381	3.258	10	20	DGCD	
Cc1cc(C)cc(OCCC(=O)NCCc2ccc(N)cc2)c1	237839134	IPLQDDZTEITNCH-UHFFFAOYSA-N	312.413	3.013	10	20	DGCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cncs1	255375064	MOPDLHDABGLBMR-YHYXMXQVSA-N	315.423	3.476	10	20	DGCD	
Cn1c(NCc2ccc(N3CCOCC3)cc2)nc2ccccc21	269163001	PACSHPAHLZVYLQ-UHFFFAOYSA-N	322.412	3.022	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCSCC1	265005091	JZXRZJYGFZUTSZ-UHFFFAOYSA-N	321.490	3.037	10	20	DGCD	
CC[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1O	367554377	SFFAQBSMZAUJMB-BPQIPLTHSA-N	301.361	3.230	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCC[C@H](C)O	279212459	WXERVCZSBVPRLO-ZDUSSCGKSA-N	306.431	3.046	10	20	DGCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2	378917866	NDHKKPTXIKBKIK-TXJVSEOTSA-N	314.473	3.438	10	20	DGCD	
CC[C@@H](NC[C@H](O)c1ccc(OC)cc1)c1ccc(C)cc1O	280048447	JKUUSQJABUWPSY-MJGOQNOKSA-N	315.413	3.484	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCOC1	283822996	ZSZRKUAOSOTTKJ-HNNXBMFYSA-N	320.433	3.131	10	20	DGCD	
CO[C@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809578743	PPYZZVOOGCJYMF-FQEVSTJZSA-N	322.452	3.470	10	20	DGCD	
COc1cccc(/C=C2/SC(=S)N(C3CC3)C2=O)c1F	800722361	PERBHOKEDAJMEH-YRNVUSSQSA-N	309.387	3.198	10	20	DGCD	
CC[C@H](NC(=O)c1cc(O)cs1)c1ccc(OC)c(OC)c1	807683381	YRNWDWBQPWPDDF-LBPRGKRZSA-N	321.398	3.352	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(F)cccc1F	808095775	RZDGLXQRLABQLP-UHFFFAOYSA-N	312.312	3.086	10	20	DGCD	
COc1ccc(O)c(CNCCc2ccc(Cl)c(OC)c2)c1	816664504	QVAQEWOKLYNAOA-UHFFFAOYSA-N	321.804	3.395	10	20	DGCD	
CCN(CC)c1ccc(CNC2CC(CC(=O)OC)C2)cc1F	818330687	BNYZMTBONOQSCA-UHFFFAOYSA-N	322.424	3.103	10	20	DGCD	
COc1cc(O)c(CNc2cccc(N(C)C)c2C)cc1OC	817405187	AKLHHQBZSMYZCH-UHFFFAOYSA-N	316.401	3.396	10	20	DGCD	
CC[C@@H](NCCc1ccc(N)cc1)c1ccc2c(c1)OCCO2	817955690	FOFLRRLBTLFIAK-QGZVFWFLSA-N	312.413	3.323	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)C[C@@H](O)Cc1ccccc1	816624586	AFJRTBLENVQVHG-INIZCTEOSA-N	305.805	3.081	10	20	DGCD	
O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(CO)cc1	823321658	BRLAOZNMMLWIOY-UHFFFAOYSA-N	310.397	3.422	10	20	DGCD	
Cc1cc(CN(C)C[C@@H](O)C2CC2)ccc1N1CCCCC1	828015439	FSQKLSHZLVNWRJ-LJQANCHMSA-N	302.462	3.188	10	20	DGCD	
COc1ccc(OC)c(NC(=S)NNc2ccccc2)c1	726434391	NGEFVAHTLJTBRO-UHFFFAOYSA-N	303.387	3.017	10	20	DGCD	
CC[C@H]1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	822197212	QGFVVDXERRSVIY-MAUKXSAKSA-N	316.445	3.170	10	20	DGCD	
C[C@@H]1CC[C@](CNCc2cc(F)cc(F)c2O)(CC(=O)O)C1	903993495	RYFGPBDNEJZOLH-QLJPJBMISA-N	313.344	3.041	10	20	DGCD	
O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cc(O)cs1	732275067	RTTGQEBPAJHEBG-UHFFFAOYSA-N	303.318	3.031	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1nccnc1Cl	908044801	GSTLVKYCWYDXRQ-UHFFFAOYSA-N	319.792	3.278	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCn2nc(C)cc2C)cc1	731751873	HUGPGSQHWGKSBH-UHFFFAOYSA-N	314.477	3.478	10	20	DGCD	
CCCCSCC(=O)NCc1ccc(N2CCCC2)cc1	915081085	JTRRJOPOPKTSQQ-UHFFFAOYSA-N	306.475	3.436	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832279615	KUDPQHKWRSOUAE-KYJSFNMBSA-N	317.477	3.085	10	20	DGCD	
COCCONC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	749417745	IGTAPNWKGLDXQL-UHFFFAOYSA-N	316.401	3.019	10	20	DGCD	
CN(C(=O)c1cc(O)cs1)[C@H]1CCCN(c2ccccc2)C1	743415851	BTYZSLRHNVPKAK-AWEZNQCLSA-N	316.426	3.195	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cccn1C	743790156	KJSKZPQARGTZJG-UHFFFAOYSA-N	313.426	3.424	10	20	DGCD	
CC[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1	916617641	QXOODBUNMKFCBR-AWEZNQCLSA-N	314.337	3.018	10	20	DGCD	
C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](c2ccccc2)O1	841301248	HDQLFEVMUMDOSY-CXAGYDPISA-N	311.385	3.263	10	20	DGCD	
COc1cc(O)c(CN2Cc3cc(F)c(F)cc3C2)cc1OC	848499942	SYALBPOHMGUIDC-UHFFFAOYSA-N	321.323	3.203	10	20	DGCD	
O=C(CCCc1ccccn1)NCc1cc(Cl)ccc1O	846472377	IZFSMDDYVVZJLS-UHFFFAOYSA-N	304.777	3.080	10	20	DGCD	
CCCN(CC)C(=O)NCc1ccc(N2CCSCC2)cc1	746947034	VJHNAAVICQZMLP-UHFFFAOYSA-N	321.490	3.181	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1	848566022	PMZQNXPOMUJZMW-UAOJZALGSA-N	310.441	3.452	10	20	DGCD	
COc1cccc([C@H](C)NCc2cccnc2OC(C)C)c1O	846140371	PMBQBMHMJGUPBJ-ZDUSSCGKSA-N	316.401	3.434	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)N(C)C(C)C)cc1	747841119	QBRSKXSNPFHTNK-MRXNPFEDSA-N	319.493	3.220	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](CO)C2CCCCC2)c1O	846171728	VXGPXIZRQJQSBK-HIFRSBDPSA-N	307.434	3.240	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](Cn1ccnc1)C(C)(C)C	840929926	QOZNPPSKSIQWKB-SFHVURJKSA-N	314.477	3.462	10	20	DGCD	
CCOc1cccc(CN[C@@H]2Cc3ccccc3[C@@H]2OC)c1O	840956059	IMJHWMYZHVAATI-APWZRJJASA-N	313.397	3.193	10	20	DGCD	
Oc1ccc(F)cc1CN(Cc1ccccc1)[C@H]1CCCNC1	843053290	TXVPZLJMMLMIQF-SFHVURJKSA-N	314.404	3.286	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCNC(C)(C)C	743482332	HNHOXSAUNCRPBM-UHFFFAOYSA-N	319.474	3.274	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1	841837795	XUJFFNSVKJMLOH-BFYDXBDKSA-N	301.434	3.079	10	20	DGCD	
CCOc1ccc(CN(C)C[C@H](C)c2nccs2)c(O)c1	753596182	VXNAZYOXQTXUCN-LBPRGKRZSA-N	306.431	3.483	10	20	DGCD	
Cc1ccc([C@@H](C)NCC(C)(C)[C@]2(O)CCCOC2)c(O)c1C	850562641	OTAXNBULJGMMGH-BEFAXECRSA-N	321.461	3.227	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNCc3cn(C)cn3)c2C)c1	858292790	FTLHOYJOSXBFFL-UHFFFAOYSA-N	308.429	3.426	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(F)cc2OC)c1	756791919	HBNMHTWCBUMABC-SNVBAGLBSA-N	319.332	3.500	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(CF)cc1	935945048	ISUKGAJEDKHMRK-UHFFFAOYSA-N	308.349	3.277	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](C(C)C)N2CCOCC2)c(O)c1C	756366924	JUANYQXQYQYYDI-SJLPKXTDSA-N	320.477	3.016	10	20	DGCD	
Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2F)c1Cl	758168747	FKKJNRUEZKCPGG-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
COCCOCCCCN[C@@H](C)c1cc(Cl)ccc1O	756517964	RNPJBDKHXOERHA-LBPRGKRZSA-N	301.814	3.139	10	20	DGCD	
CC(C)[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	935465423	QURHKTZAWHSNHH-LESCRADOSA-N	318.461	3.381	10	20	DGCD	
CCC[C@@](C)(NCc1cc(Cl)cc(F)c1O)C(=O)OC	762790937	RHCPSZDMCUDEQZ-CQSZACIVSA-N	303.761	3.006	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2CCC=CO2)c(C)n1-c1ccccc1	863165775	NRDNPEKMDSKKIY-SFHVURJKSA-N	310.397	3.403	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2ccc(N(C)C)cc2C)c1	860440150	VRYSPKQAURPNGW-UHFFFAOYSA-N	313.401	3.397	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ncccn2)c1	771822530	JRRCJCZLTYIDTF-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)C[C@H]2CCCC(=O)N2)cc1	876945426	YLGQLVRUKWIVAO-NVXWUHKLSA-N	317.477	3.070	10	20	DGCD	
CCCN(Cc1cnc(CCOC)s1)c1ccc(CN)cc1	877478283	MQHRLYWYVUSVBG-UHFFFAOYSA-N	319.474	3.207	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCCOc1ccccc1	772767312	ADMLRLWKZZHJCJ-CSKARUKUSA-N	314.337	3.123	10	20	DGCD	
COc1ccc(O)c(CN2CCCO[C@@H](c3ccccc3)C2)c1	775679248	SAODZERKRJDTOB-LJQANCHMSA-N	313.397	3.364	10	20	DGCD	
COc1cc(C)cc(CNCc2c(OC)cccc2OC)c1O	895248790	SLXUIPOBHNONQN-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1	892038338	DCGOFWBYZVJNGZ-RTBURBONSA-N	323.440	3.447	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCOC3(CCCC3)C2)c1O	894333516	XWQQFSLHLYQNET-OAHLLOKOSA-N	305.418	3.291	10	20	DGCD	
CC(C)(C)[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	790931802	SVPHXGDFLQGYHH-ZDUSSCGKSA-N	301.789	3.432	10	20	DGCD	
C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1c(O)ccc(Cl)c1F	792180738	STIBFZZSQQDHII-GBIKHYSHSA-N	301.789	3.166	10	20	DGCD	
COc1ccc(N2CCC(NCC3(OC)CCCC3)CC2)cc1	790955783	YYOPLYVNGYJGTE-UHFFFAOYSA-N	318.461	3.213	10	20	DGCD	
COc1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1	396180905	GOCDRVGIPIWKBO-QZTJIDSGSA-N	308.425	3.263	10	20	DGCD	
CCC[C@]1(NCc2cc(Cl)cc(C(C)=O)c2O)CCOC1	796440563	IHGJDKSYGMEKDR-INIZCTEOSA-N	311.809	3.297	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CCO)C2CC2)c(C(F)(F)F)c1	792991749	JALFSHDMAIJGNF-HNNXBMFYSA-N	316.367	3.022	10	20	DGCD	
COc1ccc(CNc2cnc3cc(F)c(F)cc3n2)c(O)c1	795292131	OFVFANHEQPQPEC-UHFFFAOYSA-N	317.295	3.234	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@@H]1C[C@H](C)c3c(C)ccc(O)c31)C2	1325341368	VHKKEMWUOWGOBU-YLQAJVPDSA-N	323.440	3.494	10	20	DGCD	
COc1ccccc1-c1nnc(CSc2nccs2)o1	150918685	JVIPHYARILRGBK-UHFFFAOYSA-N	305.384	3.494	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1	158987983	CMFMQXLRFYFYLV-LLVKDONJSA-N	303.333	3.047	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	155673106	UJZGQICQQIJPII-IYBDPMFKSA-N	313.445	3.250	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@@H]1O)c1cc(Br)ccc1O	186280352	WFPQHQSIFIYBKO-OBJOEFQTSA-N	314.223	3.109	10	20	DGCD	
CC(C)(C)OCCN(Cc1ccccc1O)C[C@@H]1CCCO1	109761543	RVQGVUDWUPTTJP-INIZCTEOSA-N	307.434	3.188	10	20	DGCD	
Cc1cc(F)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1	173191205	BRVAONBNYIVZBJ-UHFFFAOYSA-N	314.360	3.239	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1csc(C)n1	66698446	RQGCRIZAIDFKCO-UHFFFAOYSA-N	319.430	3.279	10	20	DGCD	
C[C@H]1CN(c2ccc(CNCc3ccco3)cc2F)C[C@@H](C)O1	69751725	ZPHQINLGFLRWQS-OKILXGFUSA-N	318.392	3.322	10	20	DGCD	
Cc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)c(F)c2)n1	123495363	YIMOYWIAVNMVJG-UHFFFAOYSA-N	304.325	3.115	10	20	DGCD	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(F)ccc1O	180253086	PPLWDIJIROWFRF-YTEVENLXSA-N	321.417	3.462	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](CO)C1	126438360	ORYIWVOWCUMIFG-CQSZACIVSA-N	318.442	3.000	10	20	DGCD	
COCCOCCN[C@H](C)c1ccc(Cl)c(Cl)c1O	185136975	UHSYTJPWVITHRV-SECBINFHSA-N	308.205	3.013	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1C[C@H]2C=C[C@H]1C2	121295770	ZGPBQDWWXBKCPS-FHWLQOOXSA-N	312.457	3.167	10	20	DGCD	
C[C@@H](N[C@H](Cn1ccnc1)C(C)(C)C)c1ccc(F)cc1O	316334599	CEVZFRPJCBYEIY-MLGOLLRUSA-N	305.397	3.493	10	20	DGCD	
O=C(NC1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	42115146	JHRSSSVBKRWOEN-MRXNPFEDSA-N	318.417	3.025	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3O2)cc1	193747102	ZJBSIZZGWPCURU-IBGZPJMESA-N	324.424	3.153	10	20	DGCD	
C[C@@H]1CCCC[C@H]1CNCc1ccc(N2CCOCC2)cc1	237383916	GHTUMSXTVDSBBQ-AEFFLSMTSA-N	302.462	3.439	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccccc2C)c1	528863741	PRVXIXFREFQEEW-AWEZNQCLSA-N	313.397	3.204	10	20	DGCD	
Cc1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)o1	266827331	MAMPOYRSEXKPDA-UHFFFAOYSA-N	313.401	3.162	10	20	DGCD	
COc1ccc(CN[C@H]2CCO[C@]3(CCSC3)C2)cc1C	269114339	DANXIMKEZQPJTG-DOTOQJQBSA-N	307.459	3.148	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1SCCc2sccc21	266500993	GCGTVIIIOAPYAO-AWEZNQCLSA-N	305.424	3.101	10	20	DGCD	
COc1ccc2c(c1)[C@@H](C(=O)N(C)Cc1ccccc1O)CC2	277607269	IDAVEANUVIESSA-INIZCTEOSA-N	311.381	3.089	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)COC1CCCC1	282603239	YESYBYLWYIUCPU-UHFFFAOYSA-N	305.418	3.480	10	20	DGCD	
CCOc1ccc(CN2CCCCC[C@H]2C[C@@H](C)O)c(O)c1	809700708	MWNAIOJHIWETMY-ZBFHGGJFSA-N	307.434	3.306	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCc2ccc(C(N)=O)cc2)c1O	808673015	VTSBSQXPGFMNMB-LLVKDONJSA-N	318.804	3.304	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSC1CCCC1	299485702	ILPYAJPRZKXYJH-UHFFFAOYSA-N	306.475	3.387	10	20	DGCD	
COc1nc(C)cc(NCc2cc(Cl)cc(Cl)c2O)n1	808090331	ZBXODCJETSYFDT-UHFFFAOYSA-N	314.172	3.418	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCCn2ccnc2)cc1F	809752344	BEIHAKJZKNDVIE-UHFFFAOYSA-N	318.440	3.391	10	20	DGCD	
CC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1F	804273365	VXLPQYPNUHTVJI-UHFFFAOYSA-N	303.289	3.000	10	20	DGCD	
CCOCCOCCN(C)Cc1ccc2ccccc2c1O	816589290	SHCLFJZAHUXPDO-UHFFFAOYSA-N	303.402	3.030	10	20	DGCD	
COc1cccc(C2(CNCc3cc(OC)ccc3O)CC2)c1	811510016	QHMDWTFGASYVKK-UHFFFAOYSA-N	313.397	3.231	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(C)C)C2(CO)CCC2)cc1	815255209	SEZGJXOGBJFCCE-SFHVURJKSA-N	304.478	3.420	10	20	DGCD	
COc1cc(CN2CCOCC23CCC3)c(O)c(C(C)(C)C)c1	824828396	ASSVUKXKSIDNLE-UHFFFAOYSA-N	319.445	3.453	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2CCCCCCC2)cc1	832272579	HGDOCILCKYJIJK-GOSISDBHSA-N	317.477	3.229	10	20	DGCD	
COCCCn1cc(C)c(NCc2cc(Cl)ccc2O)n1	830492442	ROTVBHSQUGLCAN-UHFFFAOYSA-N	309.797	3.199	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)c1ccc(N(C)C)cc1	839727726	DAUWPPYXTHEVHM-FASAQXTFSA-N	324.424	3.439	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(CC(C)C)c[nH]2)c1	839650960	PIWPWLWYJDABLY-GFCCVEGCSA-N	316.401	3.418	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H](C)Cc2cnn(C)c2)cc1	834897780	VQRHHMYXZDQGCS-GJZGRUSLSA-N	300.450	3.158	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H]1c1ccccc1	841955227	WGSGGBQDHLYVPP-RDTXWAMCSA-N	309.413	3.214	10	20	DGCD	
Cc1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)cc1	743718532	FTUUBAUREVUSCF-UHFFFAOYSA-N	309.409	3.438	10	20	DGCD	
CCN(CCNC(=O)Nc1ccc(N)cc1)c1cccc(C)c1	841301870	GVAGQVHDXWASAZ-UHFFFAOYSA-N	312.417	3.225	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CC(F)(F)C(F)(F)C1	840166011	LHXJGNYRZLCERM-UHFFFAOYSA-N	300.255	3.027	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1C[C@@H](C)N(C2CC2)C1	840893390	IYDKLYWBNNTDJG-LZLYRXPVSA-N	315.505	3.207	10	20	DGCD	
O=C(O)c1ccc(CNCc2ccc(N3CCCCC3)cc2)o1	740132827	LEYMRBBGGNJJTO-UHFFFAOYSA-N	314.385	3.258	10	20	DGCD	
COc1cccc([C@H](C)NCC(C)(C)C2(O)CCCC2)c1O	846169781	UCQJVTRKZMCVLY-ZDUSSCGKSA-N	307.434	3.383	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1C	840717706	HYBOEFGWCZDRQX-QBIMZIAESA-N	320.452	3.311	10	20	DGCD	
CC(C)[C@H](N[C@@H](C)c1ccc(Cl)cc1O)C(=O)N1CCCC1	841750659	ZOHHYQZRISSXDS-LRDDRELGSA-N	324.852	3.343	10	20	DGCD	
COc1ccc2c(c1)CCCN2CCCOCC(F)(F)F	740873727	YUOOWELIUNUMJI-UHFFFAOYSA-N	303.324	3.417	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1	841041710	ANLWMJNNMVJILX-RRWCZSPKSA-N	313.489	3.167	10	20	DGCD	
Cc1ccc2c(c1)[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)CO2	756760394	ONSHIRXUYFIQDY-IAQYHMDHSA-N	314.341	3.393	10	20	DGCD	
CO[C@H](CN[C@H](C)c1cc(Br)ccc1O)C(C)C	756628571	WISXNNGTXOWHFM-QMTHXVAHSA-N	316.239	3.476	10	20	DGCD	
C[C@@H](Nc1cccc(OCC(N)=O)c1)c1cc(Cl)ccc1O	756802631	SWWBAKGCUDRBPR-SNVBAGLBSA-N	320.776	3.083	10	20	DGCD	
C[C@H]1Cc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2O1	854324919	SSJIESJVVUTKLH-AWEZNQCLSA-N	324.424	3.348	10	20	DGCD	
CCOc1cccc(CNCc2cc(OC)ccc2F)c1O	856801212	LZSRDXKZDUBWHR-UHFFFAOYSA-N	305.349	3.228	10	20	DGCD	
O=C(NCC1=CCCC1)NCc1c(O)ccc2c1CCCC2	852634393	MWLARVUKBLPNFR-UHFFFAOYSA-N	300.402	3.181	10	20	DGCD	
C[C@H](NC[C@@H](CO)Cc1ccco1)c1cc(Cl)ccc1O	756661340	RANFJMOBFADVSO-RYUDHWBXSA-N	309.793	3.140	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1c(F)cccc1F)c1ccc(F)cc1O	756741916	YRMCJZUPSGTUNE-RFAUZJTJSA-N	311.303	3.194	10	20	DGCD	
COc1cccc(OC)c1CN[C@@H](C)c1ccc(F)cc1O	850505608	TZLQYLGIDSFXJB-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
OC[C@H](CNCc1ccc(N2CCCCC2)cc1)CC1CC1	850386283	HYQHOCLGRJXBIF-SFHVURJKSA-N	302.462	3.175	10	20	DGCD	
CC(C)(CNCc1ccc(N2CCCCC2)cc1)CC(=O)O	756308945	MTCBLPWSAWJDAX-UHFFFAOYSA-N	304.434	3.267	10	20	DGCD	
COc1cc(CN2CCOC[C@@H](C)C2)c(O)c(C(C)(C)C)c1	754748498	OBKAUNHFBGPHRO-ZDUSSCGKSA-N	307.434	3.167	10	20	DGCD	
CCc1ccc(CC(=O)NCc2cc(Cl)ccc2O)cc1	857547677	PLOIMONGFIGGSW-UHFFFAOYSA-N	303.789	3.467	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](c2ccncc2)C2CC2)c1O	934690978	DZSMBQTUYZIIRK-QGZVFWFLSA-N	314.360	3.370	10	20	DGCD	
O=[N+]([O-])c1ccccc1-c1nnc(CSc2nccs2)o1	753853863	VATOLMFWHJLRAP-UHFFFAOYSA-N	320.355	3.394	10	20	DGCD	
COC1CCC(CCNC(=O)N[C@H](C)c2ccccc2O)CC1	868498202	KVETZTPJWDGMJD-WLYUNCDWSA-N	320.433	3.348	10	20	DGCD	
COc1cc(CNCc2conc2C)c(O)c(C(C)(C)C)c1	865678485	KWUZOHSDBGNZJB-UHFFFAOYSA-N	304.390	3.285	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](N(C)C)C2)cc1F	769302214	PQXHCQHCAKNXDB-INIZCTEOSA-N	307.457	3.198	10	20	DGCD	
CC(C)C[C@H]1CCCCN1Cc1cc2c(cc1O)OC[C@H]2O	768463620	KNAQKBBHTFTBLD-RHSMWYFYSA-N	305.418	3.219	10	20	DGCD	
COc1cc(N2CC3(CCCCC3)C2)c([N+](=O)[O-])cc1OC	760604226	LTJYSQDBAAMPHM-UHFFFAOYSA-N	306.362	3.383	10	20	DGCD	
CCO[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1	861728624	LKMOQTGTXSDOIO-ZDUSSCGKSA-N	318.200	3.130	10	20	DGCD	
CC(=O)CCCC(=O)NCc1cc(C)n(-c2ccccc2)c1C	863166036	JNDKJLPVPMKGCP-UHFFFAOYSA-N	312.413	3.470	10	20	DGCD	
CCc1noc(C)c1C(=O)NCc1c(O)ccc2c1CCCC2	769558454	RVVXOVPZSAWYRQ-UHFFFAOYSA-N	314.385	3.060	10	20	DGCD	
CC[C@@H](NCC(C)(C)N1CCC(OC)CC1)c1ccccc1O	775503571	JLRCDVMIPQZUAM-QGZVFWFLSA-N	320.477	3.322	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCCN2C(=O)CC(C)C)cc1C	1044903203	BLBALWFIEFKLKE-KRWDZBQOSA-N	318.461	3.130	10	20	DGCD	
CC(C)c1cc(NCc2ccc(N3CCN(C)CC3)cc2)no1	777520012	WKVYQEORKPVNJR-UHFFFAOYSA-N	314.433	3.162	10	20	DGCD	
CCCCCNC(=O)C1CCN(Cc2c(C)cccc2O)CC1	876577907	UJYBZJDWCDNYJY-UHFFFAOYSA-N	318.461	3.219	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2c(O)cccc2F)cc1OC	886489708	PABUDAQEKBVHLX-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
C[C@H](Nc1cc(C2CC2)ncn1)c1ccc(N2CCOCC2)cc1	881848423	WTKHDUPRTDVFIO-AWEZNQCLSA-N	324.428	3.364	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](CCO)C2CCCCC2)c1O	894366202	FICMVKLJAUOPBR-INIZCTEOSA-N	307.434	3.130	10	20	DGCD	
COc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)c(O)c1OC	892009682	NMKLDQPPNKDBKV-LBPRGKRZSA-N	317.385	3.308	10	20	DGCD	
COc1ccc(CNC[C@H]2CCC[C@H]2C2CC2)c(O)c1OC	894890643	WQKPYCOSUMMPFY-HIFRSBDPSA-N	305.418	3.325	10	20	DGCD	
C[C@H]1CCC[C@@H]1CNCc1ccc(N2CCOCC2)c(F)c1	798503541	MINONYPEJQAYMC-GOEBONIOSA-N	306.425	3.188	10	20	DGCD	
CO[C@@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	792179002	MOCSHFGNVLFLJD-KDOFPFPSSA-N	319.449	3.024	10	20	DGCD	
COc1ccc(CNCCCNC(=O)CCC2(C)CC2)cc1C	1170028786	MYJOUNZGBUMULC-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
COc1ccc(F)cc1C(=O)Nc1c(Cl)ccc2nonc12	1320978922	VHCWOZAMYOTWTF-UHFFFAOYSA-N	321.695	3.276	10	20	DGCD	
C[C@H](N[C@H](C)Cc1ccc(O)cc1)c1cc(C(=O)O)ccc1O	1609755256	YTNCTARQIGXANQ-NEPJUHHUSA-N	315.369	3.078	10	20	DGCD	
CCc1cccc(CN[C@@H](C(=O)O)c2cc(C)cc(C)c2)c1O	1605828824	OEWWPPVSMMRSBR-QGZVFWFLSA-N	313.397	3.487	10	20	DGCD	
C[C@@H](CN(Cc1ccccc1)Cc1cc(F)ccc1O)C(=O)O	1609742432	RBCPKPSEWVLPBP-ZDUSSCGKSA-N	317.360	3.254	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1	1601882281	ZUGILDPEKJHAKF-VSKVDJIOSA-N	316.357	3.319	10	20	DGCD	
Cc1cc(O)c(CN[C@H](Cc2ccccc2)C(=O)O)cc1Cl	1605216596	GRWCXPWHNKAJPO-OAHLLOKOSA-N	319.788	3.140	10	20	DGCD	
Nc1ccc(CCNC(=O)CO[C@H]2CCCc3ccccc32)cc1	1580443417	CXQIXJFYRSOIFH-IBGZPJMESA-N	324.424	3.022	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)Oc1ccccc1	1592704996	BZNJGBPRIOZUCO-CHWSQXEVSA-N	315.369	3.209	10	20	DGCD	
CN(CC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCC(=O)O)cc1	1777055908	MMVRMUGECWPDTE-KKUMJFAQSA-N	303.402	3.413	10	20	DGCD	
CCN(CC)c1ccc(/C=C\c2cnc(C(=O)O)cn2)cc1F	1776860380	LGYFXGVDLIHRFS-ALCCZGGFSA-N	315.348	3.331	10	20	DGCD	
COc1cc(C)ccc1CNCc1ccc(N(C)C)c(F)c1	151022360	INMPDAPQAWETMG-UHFFFAOYSA-N	302.393	3.499	10	20	DGCD	
Cc1cc(C)cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	152980403	VTLDHYFAQIYIGG-CYBMUJFWSA-N	314.385	3.467	10	20	DGCD	
CCn1cc(C(=O)NCCc2ccc(O)c(O)c2)c2ccccc21	179090856	VGTGVAOWCWVLTM-UHFFFAOYSA-N	324.380	3.045	10	20	DGCD	
CN1C(=O)/C(=C\c2ccc(Br)s2)SC1=S	61002261	VFXBGZPCGQMEPQ-GQCTYLIASA-N	320.258	3.342	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2nccn2c1	171807044	MKLFVFFVDGAWJF-UHFFFAOYSA-N	309.369	3.092	10	20	DGCD	
Cc1ccc(-c2nc(/C=C3/SC(=S)NC3=O)co2)cc1	176853190	JMROUNREERKKMK-IZZDOVSWSA-N	302.380	3.139	10	20	DGCD	
CCSc1ccc(C(=O)N(C)Cc2ccccc2O)cn1	69386366	JZIXAVATKPNQAD-UHFFFAOYSA-N	302.399	3.171	10	20	DGCD	
COc1ccc(N2CCC(Nc3cncc(Cl)n3)CC2)cc1	301195763	UFNCEWYSIYPGRT-UHFFFAOYSA-N	318.808	3.220	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@H](C)c2cc(F)ccc2O)cc1	185827251	OAIAEYVYEDYWBO-PXAZEXFGSA-N	319.376	3.314	10	20	DGCD	
CCO[C@@H](CCN(C)C)CN[C@H](C)c1cc(Cl)ccc1O	185670724	ICXQCLCCOJIFPD-OCCSQVGLSA-N	314.857	3.053	10	20	DGCD	
COc1ccc(N(C)CC(=O)NC(C2CC2)C2CC2)cc1Cl	121872359	BEPVEXOPNBGPJP-UHFFFAOYSA-N	322.836	3.090	10	20	DGCD	
C[C@H](N[C@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O	186171167	YDJCNRHQRAGTTN-JSGCOSHPSA-N	317.820	3.370	10	20	DGCD	
C[C@@H](CCc1ccco1)NC(=O)N(C)Cc1ccccc1O	43725356	NZWAKBJWUBYMJB-ZDUSSCGKSA-N	302.374	3.148	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccc([S@@](C)=O)cc1	85324840	RJTLZBVZSAFONN-QFIPXVFZSA-N	316.470	3.088	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@@](CC)(CO)C2)c(O)c1	190212091	GEDTXIXEMBVLGS-GOSISDBHSA-N	307.434	3.166	10	20	DGCD	
CC[C@@H](O)CN(Cc1ccccc1)Cc1cccc(OC)c1O	93688068	VJVSVBYJBZFRSR-QGZVFWFLSA-N	315.413	3.174	10	20	DGCD	
COc1cccc([C@H](CN[C@H](C)c2ccccc2O)OC)c1	527920592	NYSBLEYQLMETAZ-ACJLOTCBSA-N	301.386	3.439	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)C(C)C	268841721	NLVWQTMJOXCERE-IBGZPJMESA-N	304.478	3.420	10	20	DGCD	
CN1Cc2ccccc2[C@H](NCc2c(O)ccc(Cl)c2F)C1	365170597	LMXQYLQMTXSLNB-OAHLLOKOSA-N	320.795	3.461	10	20	DGCD	
Cc1nc([C@H]2CCCCN2Cc2cc(C)c(C)cc2O)no1	372840074	UGRPQSVWBVBOHN-OAHLLOKOSA-N	301.390	3.428	10	20	DGCD	
CC[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(F)cc1O	285977009	HLMUUMNZGMDINM-RBZFPXEDSA-N	301.427	3.119	10	20	DGCD	
CC(=O)C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2	289802062	YNXUPMKGVKFWTL-UHFFFAOYSA-N	314.410	3.001	10	20	DGCD	
C[C@H]1C[C@@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	298895668	WMSWETUFWYXVHJ-DZGCQCFKSA-N	301.434	3.083	10	20	DGCD	
CC[C@H](NCCOC[C@@H]1CCCO1)c1cccc(Cl)c1O	806139913	SHJBMRTVBSBTEF-WFASDCNBSA-N	313.825	3.282	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](c2cccs2)C(C)(C)CO)c1	296037403	OSXSOJITDWRPTI-INIZCTEOSA-N	321.442	3.312	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC(C)(C)c2ccccn2)c1	294923856	YYGPXVUEISZGMD-ZDUSSCGKSA-N	300.402	3.424	10	20	DGCD	
CC(C)(C)N1C[C@@H](NCc2ccc3ccccc3c2O)CC1=O	816555949	VCNZCXGSKCLUMC-HNNXBMFYSA-N	312.413	3.034	10	20	DGCD	
CCOC[C@@H](O)CNc1cc2oc3ccccc3c2cc1OC	819399434	WDAQYNPZQIONTI-LBPRGKRZSA-N	315.369	3.404	10	20	DGCD	
CCc1nnc(NCc2c(C)c3ccccc3n2C)nc1CC	480512531	GQECQOIGGFZEOK-UHFFFAOYSA-N	309.417	3.409	10	20	DGCD	
COCCOCCCN[C@@H](C)c1cccc(C(F)(F)F)c1O	815554905	LLUZIRFTBMJHDF-NSHDSACASA-N	321.339	3.115	10	20	DGCD	
COC1([C@@H](C)NCc2ccc(Br)cc2O)CCC1	826123005	BYWUGXNWWQUXEK-SNVBAGLBSA-N	314.223	3.202	10	20	DGCD	
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(OCC)c1O	824862375	ZCQLPJZKDHYHQR-CABCVRRESA-N	321.417	3.002	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C	728301170	KDIZKRDZIYSUFI-AWEZNQCLSA-N	324.424	3.373	10	20	DGCD	
Cc1cc(CN(CCO)CC2CC2)ccc1N1CCCCC1	827492818	ZUCHXQKMLWJNNR-UHFFFAOYSA-N	302.462	3.190	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc2ccccc2o1	588403251	BEEYGILUQCAMLM-VURMDHGXSA-N	309.321	3.174	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN[C@@H](CO)C2CC2)cc1	823882898	SSBYILPJJYNBQD-SFHVURJKSA-N	316.470	3.245	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1cn[nH]c1	733983996	UCORTUKKHWREDN-UHFFFAOYSA-N	314.414	3.151	10	20	DGCD	
CN(C)c1ccc(CN2CCCC[C@H]2CCC(=O)O)cc1F	901998717	XJCKMRBHCTXNED-AWEZNQCLSA-N	308.397	3.111	10	20	DGCD	
C/C(Cl)=C/C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	901176154	NCYVMESSZNTOHA-FWLQQBITSA-N	309.793	3.042	10	20	DGCD	
C[C@H](CN[C@@H]1CCc2cccc(O)c21)N1CCc2ccccc2C1	834538698	WBKXQNZRNULWBF-DNVCBOLYSA-N	322.452	3.416	10	20	DGCD	
C/C(=C/C(=O)N1CCCc2ccc(F)c(C)c21)c1cnccn1	839438314	JDHZPNUESIOFIJ-BENRWUELSA-N	311.360	3.307	10	20	DGCD	
COc1cc2c(c(OC)c1)N(C[C@H]1C[C@H]3CC[C@H]1O3)CCC2	839654245	DTMZBKKZKBNZOS-IIAWOOMASA-N	303.402	3.024	10	20	DGCD	
CCOc1ccc(CN[C@H](COC)c2ccc(CC)o2)c(O)c1	742373754	IQVMLDKJVFNCGJ-MRXNPFEDSA-N	319.401	3.424	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1ccc(-n2ccnc2)cc1	843057902	XJAGYEXCMSLGCB-UHFFFAOYSA-N	318.424	3.284	10	20	DGCD	
CCOc1ccc(N(CC)C[C@H](O)COCc2ccco2)cc1	747682458	LGNGIRWVAOZXMZ-INIZCTEOSA-N	319.401	3.082	10	20	DGCD	
COc1cc(OC)c(CN(C)Cc2ccccc2O)cc1F	845907632	ZAKRTILWXWYYCY-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
COc1ccc(CN[C@H](C(=O)O)[C@@H](C)c2ccccc2)cc1C	849230541	IEHKPQMIRVPRKA-KSSFIOAISA-N	313.397	3.350	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCN1C1CCCC1	846475231	DRKGAQJLPPAOQJ-HNNXBMFYSA-N	322.836	3.069	10	20	DGCD	
COC(=O)CCCCN(Cc1ccco1)Cc1ccccc1O	859189622	AGJBYRRATSYKQN-UHFFFAOYSA-N	317.385	3.331	10	20	DGCD	
Cc1cc(CN[C@H](C)c2ccc(O)nn2)c(C)n1-c1ccccc1	858542038	HQNDOOLWFIRFLN-CQSZACIVSA-N	322.412	3.441	10	20	DGCD	
CCOc1cccc(CN(C)[C@@H]2C[C@](C)(OC)C2(C)C)c1O	769548145	FZGUDFPRWFUSQI-QAPCUYQASA-N	307.434	3.426	10	20	DGCD	
CC[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1cccc(Cl)c1O	866463949	REZLSYOKJFSGQM-JWYUURKGSA-N	311.731	3.398	10	20	DGCD	
CCn1cc(CN(C)Cc2cccc(Br)c2O)cn1	769426745	HOFDMPNZSAVOJQ-UHFFFAOYSA-N	324.222	3.003	10	20	DGCD	
Cc1cccc(O)c1CNC[C@]1(O)CCC[C@@H](C(F)(F)F)C1	877460261	RZOICYULMLINGS-DOMZBBRYSA-N	317.351	3.274	10	20	DGCD	
CC[C@@H](NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1O	775504319	XKDWXNWWDHYGRK-SJLPKXTDSA-N	318.461	3.076	10	20	DGCD	
C[C@@H](NCc1nc(C(C)(C)C)no1)c1ccc(N(C)C)cc1	775833245	AEPROLFHWLCBEO-GFCCVEGCSA-N	302.422	3.284	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC2C[C@H](C)C[C@@H](C)C2)c1O	775028247	OPZYWSMLCIWXSH-GHMZBOCLSA-N	308.378	3.223	10	20	DGCD	
CC[C@H](N[C@@H](CO)c1ccccc1OC)c1ccccc1O	775523095	GFSWFPHYXZYEDK-HOTGVXAUSA-N	301.386	3.175	10	20	DGCD	
CC[C@@H](NCc1ccnc(N(C)C)n1)c1cc(Cl)ccc1O	775531436	CSZUUYAKDNMLII-CQSZACIVSA-N	320.824	3.143	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1	776767599	DWWIFYDVGGWMCX-IBGZPJMESA-N	315.388	3.242	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2csc(N(C)C)n2)c(O)c1	788607691	CBSJVBWETBVAMK-GFCCVEGCSA-N	305.447	3.382	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1OC	893622761	HGJGURMTMRYLHM-LSDHHAIUSA-N	323.433	3.091	10	20	DGCD	
CO[C@@]1(C(F)(F)F)CCCN(Cc2cccc(C)c2O)C1	783718770	RTXWOYFLAGYZTM-AWEZNQCLSA-N	303.324	3.244	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@](C)(CC)OC)cc1F	795086657	QRRLKXZSINGKLM-QGZVFWFLSA-N	310.413	3.103	10	20	DGCD	
C[C@@H](O)CC(C)(C)CNCc1c(O)cccc1Br	706857907	NUFNUYYOTSCCPJ-SNVBAGLBSA-N	316.239	3.041	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCc1ccc2c(c1)CCO2	790964238	WLKCTYKRIBVBPA-UHFFFAOYSA-N	321.779	3.452	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC)cc1O	792833364	AMXGXWXQYFZRLF-IUODEOHRSA-N	306.406	3.169	10	20	DGCD	
CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccc(C)c(O)c1O	794326123	FYTUPRWDIYSACZ-DGCLKSJQSA-N	307.390	3.236	10	20	DGCD	
Oc1cc(Br)ccc1CNCCC1CCOCC1	691475516	ACDZJUBHVAXMQL-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
C[C@@H](CC(=O)Nc1c(Cl)ccc2nonc12)c1ccncc1	1330418862	PBVYLICVOKNKCF-VIFPVBQESA-N	316.748	3.404	10	20	DGCD	
O=C(O)c1cnc(S[C@@H]2CCO[C@H](c3ccncc3)C2)s1	1602537211	NKOSWBDPKNMLJB-MNOVXSKESA-N	322.411	3.249	10	20	DGCD	
CCOC(=O)[C@H](Sc1ncc(C(=O)O)s1)c1ccccc1	1605515077	CIAVOJBHCSVZQX-LLVKDONJSA-N	323.395	3.238	10	20	DGCD	
CCCC(O)(CCC)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1609958633	SPKSEPVNWZTSCP-LBPRGKRZSA-N	309.406	3.072	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](CCC(C)(C)C)C(=O)O)ccc21	1776876986	AUBWZEVARGBROE-INIZCTEOSA-N	318.461	3.438	10	20	DGCD	
CCN(C)c1ccc(CN2CC=C(C(C)(C)C(=O)O)CC2)cc1	1776855703	YZHRILNMDCTTNS-UHFFFAOYSA-N	316.445	3.386	10	20	DGCD	
Cc1ccnc(N2CCN(Cc3cc(C)cc(C)c3O)CC2)c1	164520974	CMIHECIMGPAXGH-UHFFFAOYSA-N	311.429	3.035	10	20	DGCD	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1ccn(C)n1	839192466	UAYXJCUZBGORJA-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCCc2cc(F)cc(F)c21	105369381	QSSNFTRRHAGIBN-ONEGZZNKSA-N	318.298	3.492	10	20	DGCD	
COc1cccc(-c2noc(NCc3ccc(N(C)C)cc3)n2)c1	301373356	UQAWWKSCKFCDBI-UHFFFAOYSA-N	324.384	3.423	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1c(C)cnn1COC	1262370613	MZOAWLSPSJFOOA-UHFFFAOYSA-N	317.433	3.303	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc(C2CC2)cs1	180967463	USKYFFKSSFKAQJ-QHHAFSJGSA-N	302.355	3.084	10	20	DGCD	
CN(CCCOc1ccccc1)C(=O)CSc1nccs1	77628236	HJCUYHDNXYUWFX-UHFFFAOYSA-N	322.455	3.163	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)c1cc(C)ncn1	89602651	HVBQFAWKUJWUTR-UHFFFAOYSA-N	322.206	3.280	10	20	DGCD	
O=C1N=C(NC2CCCCC2)S/C1=C\c1ccc(O)c(F)c1	255389827	OOXGLKAQLJAKTC-ZROIWOOFSA-N	320.389	3.424	10	20	DGCD	
CCCOc1ccc(CNCC2(CC)CCOCC2)c(O)c1	266635821	RQZKSZQALACCER-UHFFFAOYSA-N	307.434	3.477	10	20	DGCD	
CC(C)(C)CC(=O)NCc1cccc(Br)c1O	277576162	RCBKZOZVKRAACX-UHFFFAOYSA-N	300.196	3.207	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)CCOC	273534646	DUQRBGVUQCBINH-UHFFFAOYSA-N	306.450	3.164	10	20	DGCD	
CC(C)=CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	276660734	WZNIFTSDNWPHMD-UHFFFAOYSA-N	301.434	3.393	10	20	DGCD	
Cc1cccc(CN(C)Cc2nccn2CC(F)(F)F)c1O	271710511	GTJZQBSQUPPIRY-UHFFFAOYSA-N	313.323	3.091	10	20	DGCD	
Cc1cccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1O	271812867	LFUQUNMLXDNWNP-LRTDBIEQSA-N	303.427	3.289	10	20	DGCD	
CC[C@H]1C[C@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1	272578580	KTNPHWOBRRIQMM-AEFFLSMTSA-N	318.461	3.306	10	20	DGCD	
COCCOc1ccccc1CN[C@H](C)c1cc(F)ccc1O	273361255	DAPHEMKUTZTQFA-CYBMUJFWSA-N	319.376	3.407	10	20	DGCD	
COc1ccc(N(C)Cc2cnc([C@H](C)O)s2)cc1Cl	290206720	DLPWPPDTKVNSNA-VIFPVBQESA-N	312.822	3.495	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4OC)cc1	809698095	VTCQPKOGIVFTNN-UFHDJZAFSA-N	314.473	3.388	10	20	DGCD	
C[C@H](NC(=O)NC[C@H]1CCCSC1)c1ccc(N(C)C)cc1	807141360	RTRISJMNAXXUMW-UONOGXRCSA-N	321.490	3.256	10	20	DGCD	
Cc1cc([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)cs1	817939999	DSRDFWRRSXIWIV-DYVFJYSZSA-N	303.475	3.473	10	20	DGCD	
CC[C@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)OC	810176023	HGTPACHDHFHNSA-CYBMUJFWSA-N	304.356	3.286	10	20	DGCD	
C[C@H](N[C@@H]1CCN[C@H](C)C1)c1ccc(Cl)c(Cl)c1O	817972046	SREHQZPIAIMDDI-KXUCPTDWSA-N	303.233	3.490	10	20	DGCD	
O=C1CN(Cc2ccccc2O)C(=O)N1c1ccc(C2CC2)cc1	819010035	YGONQPNRADXIMK-UHFFFAOYSA-N	322.364	3.238	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(C(C)(F)F)cc2)c(O)c1	816551270	VGZXGWVNPBXYTD-UHFFFAOYSA-N	321.323	3.443	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CCc4n[nH]cc4C3)cc12	817762097	SBUXFNRBYMARTK-CYBMUJFWSA-N	323.396	3.229	10	20	DGCD	
C[C@H](N[C@@H](CO)C1CCCC1)c1cc2c(cc1O)CCCC2	810259548	LQMZWJJQCOVZFU-UGSOOPFHSA-N	303.446	3.473	10	20	DGCD	
CCSCCOC(=O)c1cc(C)n(-c2ccccn2)c1C	727630347	GTXPGNLRDQEGSN-UHFFFAOYSA-N	304.415	3.399	10	20	DGCD	
COc1cc(CN(C[C@@H](C)O)C2CC2)c(O)c(C(C)(C)C)c1	826539534	VHXOEVSQIIKPNM-GFCCVEGCSA-N	307.434	3.044	10	20	DGCD	
CCN(C(=O)/C=C\c1cncc(C)c1)c1ccccc1C(=O)O	829591191	OXWDINDGOVLTIW-HJWRWDBZSA-N	310.353	3.155	10	20	DGCD	
COc1cccc(CNCc2c[nH]nc2-c2ccccc2)c1O	733900706	BUCBJCHDVHCIQX-UHFFFAOYSA-N	309.369	3.081	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(C)OC)cc1	743674654	JXISSWXPZDSDNB-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
CC(C)CC[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)C(C)(C)C	841038983	WILNAVVPXOLJAS-HNNXBMFYSA-N	319.449	3.174	10	20	DGCD	
Cc1ccccc1C[C@@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	841041753	BHCCLTBHSFSHTQ-UZLBHIALSA-N	311.473	3.282	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)[C@H]1CCCOC1	840892662	BWXKOLOGXKHLFU-BQFCYCMXSA-N	304.478	3.397	10	20	DGCD	
Cc1cccc([C@H]2CCN(C(=O)NCCc3ccc(N)cc3)C2)c1	841960391	ORPIAYGIDGCDPO-SFHVURJKSA-N	323.440	3.319	10	20	DGCD	
Nc1ccc(NC(=O)NC2CCN(C3CCCCC3)CC2)cc1	841299764	JPOISXRNBWZKML-UHFFFAOYSA-N	316.449	3.187	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CNCc2ccc3c(c2)CCO3)C1	920181088	XKQMONVKMYVDLZ-IYBDPMFKSA-N	316.489	3.468	10	20	DGCD	
C[C@@H](NCc1cc(Cl)ccc1O)[C@H](O)c1cccc(F)c1	749116828	MAEMWPQHFVDUOT-HWPZZCPQSA-N	309.768	3.396	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1C[C@@H](O)C[C@@H]1c1ccccc1	840959656	ZFBSDZUIIRGGOB-XJKSGUPXSA-N	321.779	3.493	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC(C)C	840488272	KYVDGIHTEQNRFH-HNNXBMFYSA-N	305.466	3.289	10	20	DGCD	
CC(C)C[C@@]1(C)CCCN1C(=O)NCCc1ccc(N)cc1	841956250	ZUOSJKGSJTYTGL-GOSISDBHSA-N	303.450	3.422	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)[C@@H]4CCC(=O)C4)ccc31)CCCC2	843020289	DRSQFBYAGXETAL-GFCCVEGCSA-N	311.381	3.332	10	20	DGCD	
CSc1cc(C)ccc1CNC(=O)NCc1ccccc1O	756970509	SGDRNZUMUXIWCB-UHFFFAOYSA-N	316.426	3.422	10	20	DGCD	
C[C@@H](NCCc1nc2c(s1)CCC2)c1ccc(F)cc1O	926931709	QZTOZDRXEUFCJR-SNVBAGLBSA-N	306.406	3.370	10	20	DGCD	
CC(C)CN1CCC(N[C@H](C)c2cc(F)cc(F)c2O)CC1	756393716	TULCOGPYRITYFS-GFCCVEGCSA-N	312.404	3.441	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1conc1C(C)C	859421347	XGYKPGQHHQQJEG-UHFFFAOYSA-N	301.390	3.102	10	20	DGCD	
CCN(CC(=O)Nc1ccc(Cl)nc1)c1ccc(OC)cc1	851827067	ADUQLALCBSAVAT-UHFFFAOYSA-N	319.792	3.209	10	20	DGCD	
C[C@H](NC[C@@H](CO)Cc1ccccc1)c1cc(F)ccc1O	756460844	UIRHEQNVTUYNLI-ZFWWWQNUSA-N	303.377	3.033	10	20	DGCD	
C[C@@H](NC[C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O	850545597	QILOCBJKGJJWDP-ZYHUDNBSSA-N	317.351	3.470	10	20	DGCD	
O=C(O)c1cccc(CNCc2c(O)ccc(Cl)c2F)c1	756301454	OCNMRCVZXFXNJK-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C(F)F)n(C)n1	934707036	WUYGERZWUWCXOM-UHFFFAOYSA-N	323.343	3.116	10	20	DGCD	
Cc1cccc(CO[C@H](C)C(=O)N(C)Cc2ccccc2O)c1	866596930	KTFKDXACIAAIGG-OAHLLOKOSA-N	313.397	3.264	10	20	DGCD	
Cc1cn(C)nc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863163746	OCOMVGHHSMSWOU-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
COc1ccc(CNC(=S)Nc2cccc(Cl)c2)nc1	766519477	YGLYBTXFCOBCGP-UHFFFAOYSA-N	307.806	3.230	10	20	DGCD	
O=C1N[C@@H](c2cc(Cl)ccc2O)Nc2cc(F)c(F)cc21	877857998	AJLSTOCJJZCGIN-ZDUSSCGKSA-N	310.687	3.178	10	20	DGCD	
O=C1N[C@H](c2cccc(Cl)c2O)Nc2cc(F)c(F)cc21	877859368	RJWZWEGLMOSTQN-CYBMUJFWSA-N	310.687	3.178	10	20	DGCD	
CSC1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1	877663665	XIXAXRBYTGPZAO-UHFFFAOYSA-N	300.418	3.358	10	20	DGCD	
C[C@@H](NC[C@H]1CN(C2CCCCC2)C(=O)O1)c1ccccc1O	879650310	SVNGJWLTQYWAIL-HIFRSBDPSA-N	318.417	3.196	10	20	DGCD	
C[C@H](NCCOCC(F)F)c1cccc(C(F)(F)F)c1O	788774364	CRBVDTPATWQJPN-QMMMGPOBSA-N	313.266	3.343	10	20	DGCD	
CC(C)OCCCC(=O)NCc1ccc(N2CCCCC2)cc1	784638193	WHSHHYLKHCVEKA-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
COc1cc(Br)cc(CN2CCC=C(F)C2)c1O	780894727	KNSKJNLYSQEFND-UHFFFAOYSA-N	316.170	3.222	10	20	DGCD	
C[C@H](NC[C@@H]1CCC=CO1)c1cc(Br)ccc1O	783308450	DXDABDVOBMRCAY-JQWIXIFHSA-N	312.207	3.498	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1CCCc2c1cccc2[N+](=O)[O-]	784088314	FKGZFAHCPURPGW-BQYQJAHWSA-N	323.352	3.291	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC(NC2CCC2)CC1	897980859	FLZNRTBHEWJSGJ-UHFFFAOYSA-N	312.816	3.291	10	20	DGCD	
CCCn1ncnc1CN(Cc1ccccc1O)C1CCCC1	790289487	YRKNMFIXVKYKDQ-UHFFFAOYSA-N	314.433	3.339	10	20	DGCD	
Cc1ccnc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1	792278364	YPLJTOOCEOWVID-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccc2cc[nH]c2c1	792579003	SEVVRIFHUBTMJV-CLTKARDFSA-N	308.337	3.255	10	20	DGCD	
COc1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])c(O)c1	795292078	LJCYTHJHFFGZJI-UHFFFAOYSA-N	316.313	3.124	10	20	DGCD	
COc1ccc(CNCCCC[C@H](C)NC(=O)C2CC2)cc1C	1168710201	ARRIOLHVNDGRAE-HNNXBMFYSA-N	318.461	3.178	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCCC[C@@H]1[C@@H]1CCCN1	1328401220	VAOCBGYWMKKLGY-VQTJNVASSA-N	313.489	3.393	10	20	DGCD	
CCN(Cc1cccs1)c1nnc(-c2sccc2O)n1C	1338086854	JNEOGTHUMCCSMC-UHFFFAOYSA-N	320.443	3.337	10	20	DGCD	
O=C(O)c1ccc(CNCc2cccc(Cl)c2O)cc1F	1602349018	XZKCBIFXDAGDAK-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
CC1(C)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1(C)C	1604545415	GJMUGNZQLQNDSA-VURMDHGXSA-N	304.346	3.317	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3ccccc3cc2N)c1O	1579277586	GWRJARDRQIZSSK-UHFFFAOYSA-N	322.364	3.066	10	20	DGCD	
CC[C@H]1CC(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C1	158829766	WLSQFMNCFUSLJD-LBPRGKRZSA-N	324.371	3.257	10	20	DGCD	
O=C(CCc1ccc(Cl)cc1)NCc1ccc(O)c(O)c1	158870358	WSKOFBPNSSRPKG-UHFFFAOYSA-N	305.761	3.000	10	20	DGCD	
C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1F	156646084	QWSOIQXTTKKBIB-LBPRGKRZSA-N	317.360	3.089	10	20	DGCD	
Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1ccccc1	29210522	YEGOXJRMKMIWNG-UHFFFAOYSA-N	324.340	3.082	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCSCC3)cc2)o1	69716489	UCXGWCSNIYSSQT-UHFFFAOYSA-N	302.443	3.431	10	20	DGCD	
C[C@@H](Nc1nc(N)c2ccccc2n1)c1ccc(N(C)C)cc1	302463569	VNAXIKJOKSHSOD-GFCCVEGCSA-N	307.401	3.451	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1	128471391	DMLBVXQQEWIIET-HNNXBMFYSA-N	320.433	3.142	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CC=CCC2)cc1	77571757	KQLOCMJAWBYCIO-INIZCTEOSA-N	301.434	3.441	10	20	DGCD	
Cc1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C)n1	122219115	BEWQDNJBNSEDMM-UHFFFAOYSA-N	310.401	3.094	10	20	DGCD	
CCOC(C)(C)CNCc1cc(Br)ccc1O	186537714	XMJUWZHVZSZNQZ-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H]2CCN(C(C)C)C2)cc1	314965849	VKAHSVLNPXNYOD-GOSISDBHSA-N	303.494	3.353	10	20	DGCD	
CN(Cc1ccccc1F)C(=O)NCc1ccc(N(C)C)cc1	31726269	JENPEJUBEIECRX-UHFFFAOYSA-N	315.392	3.233	10	20	DGCD	
CC1(C)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	73721841	RCWGVLYPNISINU-UHFFFAOYSA-N	301.434	3.228	10	20	DGCD	
C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(O)c1O	188154350	CIBUXQAOXMXLKX-SECBINFHSA-N	307.296	3.209	10	20	DGCD	
COC(=O)[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1	321406817	ISPZBUPNFQQSQM-KDOFPFPSSA-N	312.413	3.318	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC1(CN)CCCCC1	322095543	FZRQCKIMEIIZQV-UHFFFAOYSA-N	317.477	3.010	10	20	DGCD	
Nc1ccc(CC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1	237881307	WYDGABYWNXGGTC-UHFFFAOYSA-N	316.351	3.281	10	20	DGCD	
CCOc1cccc(CN[C@H](C)[C@H](O)c2cccc(F)c2)c1O	267203717	PEKBVCDNJZYAGG-PXAZEXFGSA-N	319.376	3.142	10	20	DGCD	
Cc1noc([C@@H]2CCCCN2Cc2ccc(N(C)C)c(F)c2)n1	289800593	MTQJSKGFYFAFFT-INIZCTEOSA-N	318.396	3.310	10	20	DGCD	
Cc1ccc(CNCc2ccccc2O)c(-c2ccnn2C)c1	801719484	AYCIEOIVXNLKIR-UHFFFAOYSA-N	307.397	3.391	10	20	DGCD	
CO[C@H](C)CN(C)C(=O)c1sccc1-n1c(C)ccc1C	804841115	VIKRCBUXCZDGIR-CYBMUJFWSA-N	306.431	3.263	10	20	DGCD	
CC[C@@H](N[C@H](C)COCCOC)c1cccc(Cl)c1O	806147961	PBCKNCDBMREDMW-BXUZGUMPSA-N	301.814	3.138	10	20	DGCD	
COC1CCN(c2ccc(CN3CCC=C(C)C3)cc2)CC1	296049119	QIORLGZTFHIXFU-UHFFFAOYSA-N	300.446	3.454	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H](O)c1c(F)cccc1Cl)CC2	296851387	NFZJJSOQHUWQIS-HIFRSBDPSA-N	321.779	3.495	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1	816666483	OHZWKLQTLVFERK-JKSUJKDBSA-N	311.784	3.328	10	20	DGCD	
Cc1cc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)ccc1N(C)C	814761380	LGMUVRWXDAHGBW-UHFFFAOYSA-N	300.362	3.091	10	20	DGCD	
C[C@@H](N)[C@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1	817898592	JNDGDXOZNSQFKH-UTKZUKDTSA-N	323.484	3.335	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1scnc1C(F)(F)F	816889151	OCFGMHVPBFKZHS-UHFFFAOYSA-N	316.304	3.140	10	20	DGCD	
c1cc(CSc2nccs2)cc(CN2CCOCC2)c1	817581085	NBXZIQIGOZOBEE-UHFFFAOYSA-N	306.456	3.268	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@]2(O)CCC[C@H]2C)cc1F	815159301	PXOFOTGSFIZENF-RDTXWAMCSA-N	308.441	3.313	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc3cccnc23)c1	729535461	RDZNKBCHVXAMRH-LBPRGKRZSA-N	322.364	3.440	10	20	DGCD	
CC(C)[C@]1(CO)CCCN(Cc2cc(Cl)cc(F)c2O)C1	816662741	XCQWGBDHOKZWLE-MRXNPFEDSA-N	315.816	3.415	10	20	DGCD	
CC[C@H](N[C@H]1CCO[C@H](c2nccn2C)C1)c1ccccc1O	825328133	YMYXRSXRPADSSO-QRTARXTBSA-N	315.417	3.087	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)cc1	822197232	QXCXTLKFQSPUHF-IBGZPJMESA-N	314.429	3.090	10	20	DGCD	
COC[C@@H]1CCN(Cc2ccc(N3CCCCC3)c(C)c2)C1	827872646	FHLZHYSMYZJGMQ-GOSISDBHSA-N	302.462	3.454	10	20	DGCD	
Cc1cc(CN(CCO)C2CCC2)ccc1N1CCCCC1	829113678	MHDIPGPFAYUWJJ-UHFFFAOYSA-N	302.462	3.332	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H]2CSCCS2)cc1Cl	825331734	RIWCNBJSWJZMHZ-LLVKDONJSA-N	303.880	3.292	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](O)CNCc1cccc(Cl)c1O	827733793	OHOJNGWSMLSTKV-WBMJQRKESA-N	305.805	3.300	10	20	DGCD	
C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(O)cs1	827223498	HXOFNELFBNMPJN-HSMVNMDESA-N	317.410	3.444	10	20	DGCD	
C[C@H]1C[C@@H](NCc2nn(C)cc2Cl)c2c(O)ccc(F)c21	834882135	GAQLLRLDYPISOK-GZMMTYOYSA-N	309.772	3.256	10	20	DGCD	
COc1ccc(CN[C@@H](CO)c2c(F)cccc2F)cc1C	734847780	UNKZWPJICREKME-HNNXBMFYSA-N	307.340	3.105	10	20	DGCD	
CCN(CC)c1ccc(CNc2cncc(C(=O)O)c2)cc1F	833654485	RLVVWOXKAYFRKP-UHFFFAOYSA-N	317.364	3.377	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)COc2ccccc2)C2CC2)cc1	914436911	DMLDJMDURDOCGU-UHFFFAOYSA-N	324.424	3.323	10	20	DGCD	
COc1ccc(CCN[C@@H](C)c2cccc(OC)c2O)cc1F	846146042	PHHILDADLFNOIX-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
CC(C)c1ncc(CNC[C@@H](N)c2ccc(N(C)C)cc2)s1	841042115	HWNORQVSCXFPGS-MRXNPFEDSA-N	318.490	3.122	10	20	DGCD	
CCc1cccc(CN[C@H]2COc3c(cccc3OC)C2)c1O	848895252	KVOJNDRUKMEUAZ-MRXNPFEDSA-N	313.397	3.057	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1O	841748037	GPLPMKLLCAMGGS-TZMCWYRMSA-N	317.820	3.370	10	20	DGCD	
C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Cl)ccc1O	840886732	OHLXQUZNUCWPJJ-KDDOJWQBSA-N	305.752	3.245	10	20	DGCD	
CCc1cccc(CNc2ccc3c(c2)NC(=O)[C@H](C)O3)c1O	848895407	UFGYCWDYRKYTLQ-NSHDSACASA-N	312.369	3.286	10	20	DGCD	
CC(C)[C@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1	841788208	DPELOVWKVPZHPZ-RDJZCZTQSA-N	303.450	3.325	10	20	DGCD	
CN(C)c1ccc(CN(C)C2(CN)CCC2)c(C(F)(F)F)c1	843124755	GCHWJXJNRYIUSM-UHFFFAOYSA-N	315.383	3.085	10	20	DGCD	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCCc1ccc(N)cc1	841954239	KLDOBEICPWBSTQ-MAUKXSAKSA-N	323.440	3.399	10	20	DGCD	
Fc1cc(CNCC23CCC(CC2)C3)ccc1N1CCOCC1	756988670	BWTKDIIXIGWEKW-UHFFFAOYSA-N	318.436	3.332	10	20	DGCD	
CCCCC[C@H](C)NC(=O)CN(C)c1ccc(OC)cc1OC	752112153	OMWFBTYYJZNAND-AWEZNQCLSA-N	322.449	3.225	10	20	DGCD	
COCCOC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	756731995	FHTFSFZZPNDKRH-ZJUUUORDSA-N	322.232	3.401	10	20	DGCD	
CC(C)[C@@H](CNCc1ccc2c(c1)CCCO2)c1ccnn1C	922044079	HJZLOKHNDMOXCA-QGZVFWFLSA-N	313.445	3.275	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCc2nc(C3CC3)cs2)c1	858302875	MIPBTKMZUGMLIM-UHFFFAOYSA-N	317.414	3.034	10	20	DGCD	
CCOc1ccc(CN2CCOC[C@@H]2c2ccccc2)c(O)c1	769503812	NDQBJWPKZQXCEQ-GOSISDBHSA-N	313.397	3.364	10	20	DGCD	
COc1ccc([C@H](CCO)NCc2ccc(OC)c(C)c2)cc1	763496003	LVOFAGIDZAIPNX-SFHVURJKSA-N	315.413	3.226	10	20	DGCD	
C[C@H]1CCCC[C@@]1(C)n1cc(COc2ccc(N)cc2)nn1	864630655	LNYVFMXAEBPLLC-SUMWQHHRSA-N	300.406	3.365	10	20	DGCD	
CN(CC1CC1)C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1	769513593	CHKFYKNUQXBQAW-AWEZNQCLSA-N	308.853	3.209	10	20	DGCD	
Cc1ccc(CNC[C@H](O)Cc2cccc(Cl)c2)c(O)c1	877811503	MCSJVACFWBJJIJ-MRXNPFEDSA-N	305.805	3.047	10	20	DGCD	
C[C@]1(NCc2ccc(N3CCC(O)CC3)cc2)CC=CCC1	877586291	ZMRMXSBRGUOADD-IBGZPJMESA-N	300.446	3.236	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H](C)C1	776150519	PLXIMLMKTGJRFF-AWEZNQCLSA-N	303.450	3.393	10	20	DGCD	
CC[C@H](NCC(C)(C)N1CCC(OC)CC1)c1ccccc1O	775503570	JLRCDVMIPQZUAM-KRWDZBQOSA-N	320.477	3.322	10	20	DGCD	
CC1(C)Cc2cc(NCc3cc4c(cc3O)OCO4)ccc2O1	770600404	GSDSTIBVLYWXLS-UHFFFAOYSA-N	313.353	3.447	10	20	DGCD	
Cc1noc(C)c1[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773014284	LGCMGAMWDBDHED-NWDGAFQWSA-N	315.417	3.338	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@H](C)c2c(O)cccc2F)s1	886629540	HRWDXTVXBZMKQD-RKDXNWHRSA-N	324.377	3.186	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1c(O)cccc1F	886620655	PKNPLCZCSSEJRI-OGHNNQOOSA-N	316.376	3.497	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@H](C)c2c(O)cccc2F)cc1	886504146	SSHOLHXAGRJENJ-GFCCVEGCSA-N	316.376	3.132	10	20	DGCD	
C[C@H]1CCCC[C@@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1	783199651	PRJRDRGFMIYWSO-NWDGAFQWSA-N	306.358	3.040	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)N[C@@H](C)c1c(O)cccc1F	886597193	YSLBJUXLKUNKGM-ZFWWWQNUSA-N	303.377	3.094	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1CCCN(C)c2ccccc21	784027057	UHYDADSOUVVGLT-CMDGGOBGSA-N	307.397	3.276	10	20	DGCD	
COc1ccc(CNC[C@@H](OC)C2CCCCC2)c(O)c1OC	895454034	UZRASIDOGFXSAX-MRXNPFEDSA-N	323.433	3.094	10	20	DGCD	
CSCC(C)(C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	894286251	NRYHDRUPECHUEO-GFCCVEGCSA-N	309.479	3.254	10	20	DGCD	
COCCN(Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CC[C@H](C)C1	792465205	LXSICOGRLVIKLE-LRDDRELGSA-N	323.408	3.371	10	20	DGCD	
O[C@@H](CNCc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1	796306961	ZHWFGWSNEWZVFP-NRFANRHFSA-N	322.452	3.110	10	20	DGCD	
CCCN(CCC)C(=O)CN1CCCc2cc(OC)ccc21	797719726	QQMMRWVTTJUFOD-UHFFFAOYSA-N	304.434	3.096	10	20	DGCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1nc2ccccc2s1	790717918	FJVGHTFYKDKNPE-VIFPVBQESA-N	314.366	3.199	10	20	DGCD	
CN1C(=O)COc2cc(NCc3c(O)cccc3Cl)ccc21	798503940	QVSQOEYJGGEPJO-UHFFFAOYSA-N	318.760	3.013	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@H]2CCC2(C)C)cc1C	1164312650	UJYMJWKOXRVSSG-MRXNPFEDSA-N	318.461	3.036	10	20	DGCD	
Cc1cc(Cl)cc(CN2CCC3(CC2)C[C@H]3C(=O)O)c1O	1607655731	HGEQKDJIQHYDKH-ZDUSSCGKSA-N	309.793	3.041	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](CC(=O)O)C(C)(C)C)ccc21	1776875179	MZDAZOHBHMNUPC-QGZVFWFLSA-N	318.461	3.438	10	20	DGCD	
C[C@H](CCNC(=O)OC(C)(C)C)NCc1ccc(N(C)C)cc1	793604338	FUOIECDEDZEGCN-CQSZACIVSA-N	321.465	3.146	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc3c(F)cccc3[nH]2)cc1	23877150	BVOXIXJUVAGEDK-UHFFFAOYSA-N	311.360	3.303	10	20	DGCD	
CCCCN(CCOC)C(=O)NCc1ccc(N(C)C)cc1C	115854004	KVESDACXKVVQKQ-UHFFFAOYSA-N	321.465	3.019	10	20	DGCD	
C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1C	173290095	FZBAKMPCJMPPML-HZPDHXFCSA-N	313.445	3.393	10	20	DGCD	
CC(C)C[C@H](CNC(=O)OC(C)(C)C)NCc1ccccc1O	111393502	NMMKIFZAPMXREH-OAHLLOKOSA-N	322.449	3.421	10	20	DGCD	
Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	184925889	OKAAGVWQQFIVRL-LBPRGKRZSA-N	300.358	3.159	10	20	DGCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)CCO1	183003529	PBULEZLURCYPBU-HIFRSBDPSA-N	321.417	3.120	10	20	DGCD	
C[C@@H](NCC(F)(F)CO)c1ccc(N2CCCCC2)c(F)c1	184689030	WVKBQHUTELAKGB-GFCCVEGCSA-N	316.367	3.094	10	20	DGCD	
CCn1c(C)cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C	73092321	LMUUWIROHDKVPX-UHFFFAOYSA-N	313.445	3.463	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1O	186967323	AGXZVKZOZAVQQP-MBNYWOFBSA-N	306.406	3.025	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](c2ccccc2)N(C)C)c1	192907309	XXCJFDVYYAQHHO-KSSFIOAISA-N	314.429	3.354	10	20	DGCD	
CCCCO[C@@H]1C[C@@H](NCc2cccc(OC)c2O)C1(C)C	236851376	WLNICQRQJIHVRJ-HZPDHXFCSA-N	307.434	3.474	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1	238078273	XPGUKAYQIFUUNW-PZJWPPBQSA-N	320.436	3.222	10	20	DGCD	
COc1ccc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)cc1C	265234404	JIGISXVPZWCSDF-QGZVFWFLSA-N	324.424	3.178	10	20	DGCD	
CCO[C@@H](CCN(C)C)CN[C@@H](CC)c1ccc(C)cc1O	280166367	QYTYHOOKYAHHSD-RDJZCZTQSA-N	308.466	3.098	10	20	DGCD	
C[C@H](NCC1=CCCOC1)c1cc(Br)ccc1O	287201900	WIZXIFFEWRRFRP-JTQLQIEISA-N	312.207	3.152	10	20	DGCD	
CCCOc1ccc(CNc2cccc3c2COC3=O)c(O)c1	290181961	NWENNOCAYZRDFV-UHFFFAOYSA-N	313.353	3.464	10	20	DGCD	
CC[C@@H](N[C@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1O	290145201	KXYQHRPYXWXZCJ-AGIUHOORSA-N	320.216	3.154	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1nnc(-c2ccon2)s1	804459613	AMQIHEANCKRYCC-UHFFFAOYSA-N	315.402	3.180	10	20	DGCD	
COCc1nc(CN[C@H](C)c2cc(F)cc(F)c2O)cs1	810253152	MYWAKVXHVTUVTK-MRVPVSSYSA-N	314.357	3.124	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@H](CO)Cc2ccco2)c(O)c1	815589293	OGVBZJYNMGSILV-CABCVRRESA-N	303.402	3.104	10	20	DGCD	
Cc1cc(CN(CCCO)Cc2ccccc2)ccc1N(C)C	815062184	OTHUENGMVMEZSM-UHFFFAOYSA-N	312.457	3.446	10	20	DGCD	
COc1ncc(Cl)c(NCc2c(O)ccc3c2CCCC3)n1	811808283	BYTURTBJALRHDY-UHFFFAOYSA-N	319.792	3.335	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC2(CCOCC2)[C@@H]1C1CC1	816657426	RRXUDKDGQXXNMU-INIZCTEOSA-N	307.821	3.437	10	20	DGCD	
CC(C)[C@@H](CCO)N[C@@H](C)c1cccc(C(F)(F)F)c1O	815584150	WUEMOLCHDAJOLT-GXFFZTMASA-N	305.340	3.469	10	20	DGCD	
OCC[C@@H](NCc1ccc(N2CCCCC2)cc1)C(F)(F)F	821207685	XMGXSYASWDKJKW-OAHLLOKOSA-N	316.367	3.080	10	20	DGCD	
Cc1nn(C(C)C)c(C)c1CC(=O)N[C@H](C)c1ccccc1O	827946392	GRIOBBJLIFTPSJ-GFCCVEGCSA-N	315.417	3.206	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)Cc2cnn(C)c2)c1O	834896765	NOCJJTXWPZIOJB-RYUDHWBXSA-N	307.825	3.369	10	20	DGCD	
CCOCc1cc(CN[C@H]2C[C@@H](OC)C23CCC3)ccc1OC	839183068	STBSOPXVTOGEOV-ZWKOTPCHSA-N	319.445	3.279	10	20	DGCD	
COCC(COC)N[C@@H](C)c1cc(Cl)c(Cl)cc1O	834891912	QCCUPXGKLFRNOY-QMMMGPOBSA-N	308.205	3.011	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@@H](OCC(F)(F)F)C2)c1	733324860	HKOBBXPHIAMUTF-CYBMUJFWSA-N	303.324	3.244	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)N(C)c2nccs2)cc1	732199931	PVLQSSIAKDDTLK-UHFFFAOYSA-N	319.430	3.031	10	20	DGCD	
CCOc1ccc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c(O)c1	830074932	AJJJYQSEDJLFAO-MAZHCROVSA-N	319.401	3.009	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)C(C)(C)C)CC2)cc1	734391783	MJCGFFWDNOPMCC-CQSZACIVSA-N	318.461	3.462	10	20	DGCD	
Oc1cccc2c1[C@@H](NCC[C@H]1COc3ccccc3O1)CC2	834685512	YNXJNBFIANJURI-GJZGRUSLSA-N	311.381	3.199	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)C(F)(F)F	839919793	TUZOODMRVLDBDX-VXGBXAGGSA-N	316.367	3.307	10	20	DGCD	
COc1ccc(F)c(CN[C@@H](C)c2cc(OC)ccc2O)c1	845973283	YEYXSJISHZMNAY-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
CCc1cccc(NC(=S)NCc2ncccc2OC)c1	840825270	DLQKADOVRWSLCC-UHFFFAOYSA-N	301.415	3.139	10	20	DGCD	
Oc1cc2c(cc1CN1CCCc3cc(F)cc(F)c31)OCO2	917440315	RGAIAMURHPBKBM-UHFFFAOYSA-N	319.307	3.352	10	20	DGCD	
Nc1ccc(CCNC(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1	841135150	BCMDBJFEVHYFQY-UHFFFAOYSA-N	323.396	3.152	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CO)c1c(F)cccc1F	840934363	POGZPESIJOQJKK-KRWDZBQOSA-N	320.383	3.162	10	20	DGCD	
CC[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)(F)F	840514872	LXMAOXWXEYMOTI-DFVUYQKZSA-N	317.307	3.206	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1c[nH]nc1-c1ccccc1	843057920	YNYTXTWFFPGKQG-UHFFFAOYSA-N	318.424	3.488	10	20	DGCD	
C[C@@H](NCC1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1O	756711047	HTUSBGHUVYNICM-GFCCVEGCSA-N	312.369	3.366	10	20	DGCD	
CC(C)n1cc([C@@H](C)NCc2ccc3c(c2)CCCN3C)nn1	924870230	KFQAYYUZBLECRV-CQSZACIVSA-N	313.449	3.092	10	20	DGCD	
C[C@H](NCCN1CCC[C@@H]1C)c1cc2c(cc1O)CCCC2	756614935	CIEVMOFBOAHOOQ-GJZGRUSLSA-N	302.462	3.406	10	20	DGCD	
COCC1(N(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1	855340967	WGWTTZUERSEUAA-UHFFFAOYSA-N	312.413	3.345	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCc2c(C)cccc2C)c1	858303025	RPWNZCZQQHUVLI-UHFFFAOYSA-N	312.413	3.359	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2ccc(C)cc2Cl)c1	762538937	GNCNRYNCKPKKLD-UHFFFAOYSA-N	319.788	3.222	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(C)C)cn1	935945853	NIKJMMIPDFNAES-UHFFFAOYSA-N	319.401	3.326	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cc2c(cc1O)OCO2	766340350	KNLHROFKLXPDLO-UHFFFAOYSA-N	313.353	3.082	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CC[C@H]3SCCS[C@H]23)cc1	762612190	CXCPGSFRCPLDJL-BZUAXINKSA-N	308.516	3.222	10	20	DGCD	
Cn1nc(C2CC2)cc1CNCc1cc(Cl)cc(F)c1O	897223899	AZZDIYQLAGFKMW-UHFFFAOYSA-N	309.772	3.085	10	20	DGCD	
CCOc1ccc(O)c(CNCc2c(C)nc3ccccn23)c1	898276631	RPACFMCUGWETFZ-UHFFFAOYSA-N	311.385	3.037	10	20	DGCD	
COc1cc(Cl)cc(CNCCSC(F)(F)F)c1O	184706177	NZHDDYJLOGBXDZ-UHFFFAOYSA-N	315.744	3.397	10	20	DGCD	
CCN(CC)CCN[C@H](C)c1cccc(C(F)(F)F)c1O	798179945	UOABEKOWWBFZGX-LLVKDONJSA-N	304.356	3.403	10	20	DGCD	
COc1ccc(N(C)Cc2ccc([S@](C)=O)cc2)cc1F	1319939467	IBFXOYNUUQCJCY-NRFANRHFSA-N	307.390	3.208	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F	1328688005	FYRHLTSROKDMAH-VUCTXSBTSA-N	322.399	3.078	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1	1335452189	OVCBRNVJOGOFHF-HKUYNNGSSA-N	323.440	3.479	10	20	DGCD	
CN(CCCF)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	1332185689	BZEFEKSINMLESY-UHFFFAOYSA-N	317.360	3.120	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CC[C@@H](C)C[C@H]1C	1263011347	YZGKNGLTPKGZOX-GHMZBOCLSA-N	306.435	3.357	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1c1ccncc1	1346273247	QJMYLCCTVSGKMB-RBUKOAKNSA-N	321.424	3.102	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CCC[C@@H]2C)cc1	1776861168	JWIQEYORFKKQOR-KBXCAEBGSA-N	304.434	3.266	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCc3sccc32)c1	156202566	XKJFKBCIUGUOIC-CQSZACIVSA-N	317.410	3.199	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)cc2C)c1	155478351	UWWXYSLUZOQASC-LLVKDONJSA-N	303.333	3.339	10	20	DGCD	
COc1cccc(CNCc2ccc(Br)o2)c1O	189503806	BYXQOEIWNWUQSR-UHFFFAOYSA-N	312.163	3.046	10	20	DGCD	
CC[C@@H](O)CCNCc1cc(Cl)cc(Br)c1O	708098289	HAMOSBHMGCSXKG-SNVBAGLBSA-N	322.630	3.059	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)CO1	708114984	QQQHOMVCAZQMGD-GMSGAONNSA-N	320.614	3.075	10	20	DGCD	
CCCOc1ccc(CN[C@@H](COC)c2ccco2)c(O)c1	177576951	AHQVBQZAONWBBE-HNNXBMFYSA-N	305.374	3.251	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1cc(F)ccc1Br	179499040	APDSUAPJQXIPBX-YWEYNIOJSA-N	318.192	3.077	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@@H]1CCOC1	119981187	ZRCFATYDDZZEDU-ZIAGYGMSSA-N	318.442	3.310	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCCN(CC(F)(F)F)CC1	179676812	YPGLHJSRWLIUJE-UHFFFAOYSA-N	322.758	3.116	10	20	DGCD	
CN(C)c1ccc(CN2CCC(C(=O)C(F)(F)F)CC2)cc1	187656830	ZDOOCGMUPHSKEO-UHFFFAOYSA-N	314.351	3.096	10	20	DGCD	
CCOc1cccc(CN2CCCC[C@H]2CCC(=O)O)c1O	316286688	KXYHZIGQTHBQLY-AWEZNQCLSA-N	307.390	3.010	10	20	DGCD	
C[C@H]1CN(CCCCN[C@@H](C)c2cc(F)ccc2O)C[C@H](C)O1	185207121	DFKKSPCJDHUVNU-KKUMJFAQSA-N	324.440	3.071	10	20	DGCD	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cccc(O)c2O)C1	185697312	NEWDXYJUZQZZTK-ZIAGYGMSSA-N	311.381	3.424	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(F)c(C#N)c2)c1	182348866	QHMRQBVDVWCUCI-NSHDSACASA-N	300.333	3.262	10	20	DGCD	
C[C@H](NCCCNC(=O)c1ccc(F)cc1)c1ccccc1O	183599513	DOAHSWWMIBFGDF-ZDUSSCGKSA-N	316.376	3.002	10	20	DGCD	
CCOCCO[C@H]1CCN(Cc2c(O)ccc3ccccc23)C1	138425397	DDRVXBUSKHYYTD-INIZCTEOSA-N	315.413	3.173	10	20	DGCD	
CN1C(=O)/C(=C/c2ccc(OCC3CC3)cc2)SC1=S	190394465	IMFZXLFLAOJLAQ-JYRVWZFOSA-N	305.424	3.306	10	20	DGCD	
O=C(Nc1cccc(CC(F)(F)F)c1)c1cccc(O)c1O	193106266	QAKWOZRRPOMECV-UHFFFAOYSA-N	311.259	3.455	10	20	DGCD	
COc1ccc(F)cc1[C@H](C)NCc1cccc(OC)c1O	237229206	WUFAEYUXGUDTKK-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2CCCSC2)n(C)c2ccccc12	349495464	ULLFYEYUDWBWSM-CYBMUJFWSA-N	317.458	3.182	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2cnc(C)s2)c1	255613102	VDCTXGJFJPOAEP-BXKUYDPTSA-N	318.398	3.056	10	20	DGCD	
Cc1ccoc1CNCc1ccc(N2CCC(CO)CC2)cc1	266169271	BWQPJBTWXFUMSX-UHFFFAOYSA-N	314.429	3.087	10	20	DGCD	
CCOC(CCCNCc1ccc(N(C)C)c(F)c1)OCC	264941615	GJJAAZXLAPXRST-UHFFFAOYSA-N	312.429	3.161	10	20	DGCD	
CC[C@H](CCO)CNCc1ccc(N(C)C)cc1C(F)(F)F	279784207	BCQVEQNMVCAPRW-GFCCVEGCSA-N	318.383	3.270	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@@H](C)c2ccco2)c1O	278192200	HZURNKLZLHKBKC-JTQLQIEISA-N	306.318	3.095	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCN(CC)CC	283108998	MKHXSRMMKPEYGW-UHFFFAOYSA-N	321.465	3.046	10	20	DGCD	
CCN(C)C(=O)c1cccc(NCc2cccc(OC)c2O)c1	808424297	YDCBWJJPWAKLRJ-UHFFFAOYSA-N	314.385	3.105	10	20	DGCD	
CCCCOCCNC(=O)NCc1c(C)c2ccccc2n1C	471765065	AJDFTPFLDVSJKD-UHFFFAOYSA-N	317.433	3.103	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCC(F)(F)CC1	800640565	GWYLPDKHFYQFNC-DUXPYHPUSA-N	311.328	3.053	10	20	DGCD	
CCOc1ccc(CN2CCCC[C@@H]2c2nc(C)no2)c(O)c1	809718652	MMCMBYJVVGXWCC-OAHLLOKOSA-N	317.389	3.210	10	20	DGCD	
C[C@H]1[C@H](N2CCCC2)CCN1Cc1c(O)ccc(Cl)c1F	809724117	DYZXHTPPQUKPCV-SMDDNHRTSA-N	312.816	3.243	10	20	DGCD	
Cc1ccc(NC(=S)NCc2ncccc2N(C)C)c(C)c1	811709910	RSVGLLYYTGIGQM-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
CCCn1nc(C)c(CN[C@@H](C)c2cc(OC)ccc2O)c1C	813330723	FFLVNTDFUKBCLQ-LBPRGKRZSA-N	317.433	3.475	10	20	DGCD	
OC[C@H](CNCc1cc(Cl)c(F)cc1O)c1ccccc1	816555158	VWYNCYSXDOUKJN-ZDUSSCGKSA-N	309.768	3.050	10	20	DGCD	
CCC(CC)(CNCc1ccc(N(C)C)c(C)c1)C(=O)OC	815075666	CHTRFJNQTDMHNB-UHFFFAOYSA-N	306.450	3.130	10	20	DGCD	
CCc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)ccc1O	813430861	WWGSTOXWQVNUKO-UHFFFAOYSA-N	324.424	3.267	10	20	DGCD	
COc1ccc(O)c(CNCc2ncc(CSC)s2)c1	815126516	NDHNMLDZMQHGOQ-UHFFFAOYSA-N	310.444	3.010	10	20	DGCD	
COC[C@H](NCc1ccc(N2CCCCC2)c(C)c1)C1CC1	828721864	HKRMVHSIMMEJEG-SFHVURJKSA-N	302.462	3.500	10	20	DGCD	
CO[C@@H](CNCc1c(O)cccc1Cl)Cc1ccccc1	824591282	TWGVGEIKJGNYHT-CQSZACIVSA-N	305.805	3.393	10	20	DGCD	
C/C(=C\C(=O)N1CC[C@H](C)c2cccc(O)c21)c1cnccn1	829521094	MASYAOZQVVPCAS-CVCOIXHCSA-N	309.369	3.126	10	20	DGCD	
Cc1nc([C@H]2CCCN(Cc3cc(Cl)c(C)cc3O)C2)n[nH]1	824933892	KIGOKKOSJGADTM-LBPRGKRZSA-N	320.824	3.160	10	20	DGCD	
C/C=C(/CC)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	588566587	RVXSQVPBGOSNNZ-TVPGTPATSA-N	302.418	3.090	10	20	DGCD	
C[C@@H]1CCCN(C(C)(C)CN[C@H]2CCc3cccc(O)c32)C1	834531455	ZMIQSRMYNUBNFZ-ZBFHGGJFSA-N	302.462	3.480	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)OCc1ccccc1	731030707	JECVBSOLOGZOAQ-UHFFFAOYSA-N	311.381	3.191	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@H]1C	734517950	VSVHKMMPELOJNG-CXAGYDPISA-N	303.450	3.439	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC2(CC1)CC2	831924147	CQLCAOXHABYZEC-GFCCVEGCSA-N	303.402	3.115	10	20	DGCD	
COc1cccc(CN[C@H]2CCOc3c(OC)cccc32)c1O	733331616	FDCNJYZKAWBNLI-AWEZNQCLSA-N	315.369	3.023	10	20	DGCD	
CCSc1ccccc1CC(=O)NCCc1ccc(N)cc1	911783019	OJPITTCZKGVMNE-UHFFFAOYSA-N	314.454	3.282	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)nc1)c1ccc(Cl)cc1O	841745197	NNGURPWSNLKMLD-NSHDSACASA-N	305.809	3.357	10	20	DGCD	
CCC(O)(CC)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	743712447	IPIQXKFDNYQCFT-UHFFFAOYSA-N	314.429	3.375	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(C(=O)N(C)C)cc1	840884617	OYFUAROMPDEXSD-UHFFFAOYSA-N	311.429	3.375	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1O	926922754	RRRRPMUGMGXQEN-CMPLNLGQSA-N	320.330	3.209	10	20	DGCD	
COc1ccc(C(=O)NCc2cc(Cl)ccc2O)c(C)c1	857547694	PWGOEYCQHGJIEQ-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
CSCC1(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	850507781	QEEJLRNIPOUKKC-NSHDSACASA-N	310.419	3.484	10	20	DGCD	
C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O	756687469	UTLAHFZRYYFXSR-SNVBAGLBSA-N	317.301	3.059	10	20	DGCD	
C[C@@H](NCc1cc2c(nc1O)CCCC2)c1cc(F)ccc1O	866640230	CKKZHDLXQLPKGE-LLVKDONJSA-N	316.376	3.362	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(OC)CCCCCC2)c1	934941368	WXYWEZHHFVCHEZ-CYBMUJFWSA-N	321.417	3.317	10	20	DGCD	
CCCN(Cc1c(O)cccc1Br)CC(C)(C)O	862239092	VCFSMNQRTDAHTH-UHFFFAOYSA-N	316.239	3.138	10	20	DGCD	
Cc1cc(CN2C(=O)[C@@H]3CCCN3C2=O)c(C)n1-c1ccccc1	863532643	LFBPHUVCYRMVMG-KRWDZBQOSA-N	323.396	3.021	10	20	DGCD	
C[C@H](c1ccco1)N(C)Cc1ccc(N2CCC(O)CC2)cc1	876571630	BFVRBMWSWIXECS-OAHLLOKOSA-N	314.429	3.434	10	20	DGCD	
COC(C)(C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773327261	WULWCHVFOSQRSH-KBPBESRZSA-N	321.465	3.316	10	20	DGCD	
CC[C@@H](N[C@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1O	775522393	OIQKZZAUSSJHST-GXTWGEPZSA-N	305.809	3.367	10	20	DGCD	
CCc1cnccc1[C@H](C)NC(=O)N(C)Cc1ccccc1O	774328071	GUUDSVSIMMNQRF-ZDUSSCGKSA-N	313.401	3.252	10	20	DGCD	
Cc1ccc2c(c1)N[C@@H](c1cc(Cl)c(F)cc1O)NC2=O	877864658	PYJVTFHJRAPPSL-CQSZACIVSA-N	306.724	3.347	10	20	DGCD	
C[C@H]1CCCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	775996640	LGXYXBSGZKOPPL-HNNXBMFYSA-N	306.425	3.284	10	20	DGCD	
C/C(=C/C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1	778918485	QTJCDQUQGYAZBH-XFFZJAGNSA-N	317.772	3.471	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2ccoc2)cc1	771854752	FPMKWFIAJCHEQI-UHFFFAOYSA-N	300.402	3.327	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1	777557891	OHPQRLIQLJRMMF-FQEVSTJZSA-N	322.408	3.105	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1CCN(C2CC2)c2cc(F)ccc21	775230460	ATJOVZRIIRFPDP-BAQGIRSFSA-N	323.371	3.250	10	20	DGCD	
C[C@@H](NCCCc1ccc2c(c1)OCCO2)c1ccccc1O	783519760	SVCFOHYAPRXAAY-CQSZACIVSA-N	313.397	3.447	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cccnc1C1CC1	785234059	QLMVAFBDDCQDDJ-UHFFFAOYSA-N	321.424	3.489	10	20	DGCD	
Cc1cc(O)c(CN2CCC(Nc3ccccn3)CC2)cc1C	896195861	VDNBEFPMCASTTA-UHFFFAOYSA-N	311.429	3.481	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cn1	795331017	PNHAJXMOULGOOA-UHFFFAOYSA-N	320.414	3.328	10	20	DGCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1F	1318895018	VYHZFVYNUJJBDR-NSHDSACASA-N	305.324	3.433	10	20	DGCD	
COc1ccc(N2CCN(Cc3nc(C)sc3C)CC2)cc1	1319639422	RTZBOJMQCCOSRA-UHFFFAOYSA-N	317.458	3.091	10	20	DGCD	
O=C(Nc1ncc(C2CCOCC2)s1)c1cc(O)cs1	1330818055	COVPXZQJSDTCNZ-UHFFFAOYSA-N	310.400	3.057	10	20	DGCD	
CC(C)Oc1ccccc1CNC(=O)NCc1ccc(N)cc1	1346632082	ACAMFERKQWUKTL-UHFFFAOYSA-N	313.401	3.055	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@]2(C)CCO[C@H]2C2CC2)cc1F	1351328572	GBHAKFOLVFKIGP-ROUUACIJSA-N	324.415	3.326	10	20	DGCD	
O=C(O)c1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)C2	1602421673	JMEKUJRHVNCERC-UHFFFAOYSA-N	303.745	3.260	10	20	DGCD	
CC[C@H](NCc1cccc(C)c1)c1cccc(-c2nn[nH]n2)c1O	1590469691	QXMXBTDYZSKLKY-INIZCTEOSA-N	323.400	3.122	10	20	DGCD	
O=C(O)[C@@H]1C[C@@H](N[C@@H]2CCc3cccc(O)c32)c2ccccc21	1594900417	OBDKHNXVUHCFJQ-BZUAXINKSA-N	309.365	3.282	10	20	DGCD	
CCc1cccc(CN[C@H]2C[C@@H](C(=O)O)c3ccccc32)c1O	1593642730	UXTBVUBIKVVAPQ-SJORKVTESA-N	311.381	3.357	10	20	DGCD	
Cc1cc(C)c2cc(C(=O)NCc3ccc(O)c(O)c3)[nH]c2c1	158980149	ABBAWWHUAOLEMC-UHFFFAOYSA-N	310.353	3.126	10	20	DGCD	
Cc1cc(C(=O)CSc2cnn[nH]2)c(C)n1-c1ccccc1	155959115	KLJIQCHICSCYEK-UHFFFAOYSA-N	312.398	3.187	10	20	DGCD	
COCCCCN(C)Cc1c(O)cccc1Br	707138872	IJJILHZXQIZBRA-UHFFFAOYSA-N	302.212	3.013	10	20	DGCD	
Cc1cc(Br)cc(CN2CCCOC[C@H]2C)c1O	398899437	CQUWIIOAAPRXBW-LLVKDONJSA-N	314.223	3.074	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1	877731450	XOLBPBFRODTHHH-OKILXGFUSA-N	320.433	3.094	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1	68973684	TVIBVNHXQOFWAS-SFHVURJKSA-N	303.377	3.477	10	20	DGCD	
COCCN(Cc1cccs1)c1ccc2c(c1)OCCO2	170724235	CCQFKPFFPGDLFJ-UHFFFAOYSA-N	305.399	3.172	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3ccccc3nc2C)c1	114542147	XVFIBEAKLMBQHJ-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1Cc2ccccc2C1	128028136	BXCZROBCCYGHJO-UHFFFAOYSA-N	319.408	3.288	10	20	DGCD	
C[C@H](CCC1CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1	186270374	LBHGNKXQFNWLRV-CQSZACIVSA-N	320.452	3.455	10	20	DGCD	
CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1	182531538	DBBHJQYRCRXNGX-LBPRGKRZSA-N	315.369	3.205	10	20	DGCD	
COc1ccc(N(C)Cc2cc3ccccc3[nH]c2=O)cc1F	121752052	LQAUGUDWCXZCMW-UHFFFAOYSA-N	312.344	3.312	10	20	DGCD	
Cc1ccc2[nH]c(C(=O)NCc3ccc(O)c(O)c3)cc2c1C	182531794	PMXVEYGPUHFEQS-UHFFFAOYSA-N	310.353	3.126	10	20	DGCD	
O=C1[C@@H](NCc2cc(Cl)ccc2O)CCN1C1CCCCC1	131594608	JNLRPIVKJNOLDU-HNNXBMFYSA-N	322.836	3.069	10	20	DGCD	
Cc1ccc(C[C@@H](C)NCc2cc3c(cc2O)OCO3)s1	80228376	KXXAJUZSUXHFJF-SNVBAGLBSA-N	305.399	3.212	10	20	DGCD	
CC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	91919399	FHCPYMMJZCKLPY-HNNXBMFYSA-N	306.425	3.284	10	20	DGCD	
Cn1nccc1CN1CCCc2cc(OC(F)(F)F)ccc21	91072261	YUGQBXYIPSRFMY-UHFFFAOYSA-N	311.307	3.272	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC12CC(CO1)C2	529875166	KJDLVWXWCOHPEP-UHFFFAOYSA-N	316.426	3.064	10	20	DGCD	
CC[C@@H](NCc1ccccc1O)[C@H](O)c1c(F)cccc1F	266341611	YLKVZFIGERBHIO-PBHICJAKSA-N	307.340	3.272	10	20	DGCD	
FC(F)Oc1ccc(N2CCC[C@@H](Nc3cnccn3)C2)cc1	266280094	SZDNKWMXVVRGIR-GFCCVEGCSA-N	320.343	3.159	10	20	DGCD	
Cn1cc(-c2ccccc2CNCc2ccc3c(c2)CCO3)cn1	362674353	DGQKRKZVGHUAPN-UHFFFAOYSA-N	319.408	3.312	10	20	DGCD	
C[C@H]1C(=O)CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1(C)C	275565350	WUTSIRSRIGDCHL-BBRMVZONSA-N	316.445	3.010	10	20	DGCD	
COCC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccco1	273412448	IAMJDBMOPVHNPS-WFASDCNBSA-N	305.374	3.422	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCn2cnc3ccccc32)c1	273396615	MBWJYPXMAIDUQZ-CYBMUJFWSA-N	311.385	3.101	10	20	DGCD	
CC[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	280784592	OBYUWZMGYMTGGP-RHSMWYFYSA-N	301.434	3.225	10	20	DGCD	
CCOc1cccc(CNC[C@@]2(C)CCO[C@H]2C2CC2)c1O	375121017	NBRBFIZCCMVNRR-ZWKOTPCHSA-N	305.418	3.086	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@@H](C)c2c(C)cc(C)cc2O)c1	284162461	PVMDTZDBAOEMAA-KSSFIOAISA-N	315.413	3.402	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CCc2ccco2)C2CC2)cc1	298364847	KDFDLYRDDLDOPE-UHFFFAOYSA-N	312.413	3.469	10	20	DGCD	
Cc1nccnc1CCNCc1cc(Cl)cc(Cl)c1O	292967547	KAKAAAAPQUCFBB-UHFFFAOYSA-N	312.200	3.130	10	20	DGCD	
COc1cccc(CNC/C=C/c2ccccc2[N+](=O)[O-])c1O	809739773	DVSPDLCYLRIBIT-VMPITWQZSA-N	314.341	3.112	10	20	DGCD	
CC(C)OC[C@@H](C)NCc1cccc(Br)c1O	800525645	VZEXOWAWQIEGDO-SNVBAGLBSA-N	302.212	3.058	10	20	DGCD	
CC[C@H](NCc1ccc(CCN)cc1)c1ccc(F)cc1O	817949703	SIKHYMIJBZFTEU-KRWDZBQOSA-N	302.393	3.273	10	20	DGCD	
C[C@@H](NCCC1=CCNCC1)c1cc2c(cc1O)CCCC2	817987164	WZGMLJFFXDSJDV-CQSZACIVSA-N	300.446	3.231	10	20	DGCD	
CC[C@@H](N[C@@H](C)C1(OC)CCOCC1)c1ccc(N(C)C)cc1	817587940	KNFMTVANGYKTAD-MAUKXSAKSA-N	320.477	3.377	10	20	DGCD	
COc1cc(F)c([C@@H](C)NCCc2ccc(N)cc2)cc1OC	817955458	BJHHIWZPOLUAFG-GFCCVEGCSA-N	318.392	3.318	10	20	DGCD	
OC[C@@H]1Cc2ccccc2N(Cc2cc(Cl)c(F)cc2O)C1	816617016	MALGINHXYWGYKQ-LLVKDONJSA-N	321.779	3.356	10	20	DGCD	
Cc1ccc2c(c1)CC[C@@H](C(=O)N[C@H](C)c1ccccc1O)O2	827946978	XCQHXTTYABDPKD-ACJLOTCBSA-N	311.381	3.272	10	20	DGCD	
COc1cccc(CNC(=O)Nc2scnc2C(C)C)c1O	836740225	MHVJSNAWESUADO-UHFFFAOYSA-N	321.402	3.302	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2cocn2)c1C	730802662	DUFUDGCDYYOCJL-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
CC[C@@H](CO)N(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C	833336923	JSHNBZBBRBGOKF-INIZCTEOSA-N	314.429	3.245	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@H]1CCO[C@@H](c3ccncc3)C1)CC2	834895079	XDLXYAVFJGGSSX-LZLYRXPVSA-N	310.397	3.284	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2oc(C)cc2C)cc1	844853675	BETULZBQAXNRES-UHFFFAOYSA-N	316.401	3.113	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2c(F)cccc2Cl)cc1	841041494	CNNSARKQKCIWJR-QGZVFWFLSA-N	321.827	3.335	10	20	DGCD	
COc1ccc(-c2nnc(Sc3nccs3)n2C)cc1	914863087	VHUQOFFPXUWAAF-UHFFFAOYSA-N	304.400	3.098	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H]2[C@H]2CCCOC2)c1O	842612570	JVFAPCDLSDNEMI-GOEBONIOSA-N	305.418	3.100	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@@H](SC)C2)c1	743680299	CHDUJBCNSBSAHM-DMDPSCGWSA-N	324.446	3.045	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(Cc3ccccc3)CC2)c1	915791797	YWUORXGUYVIBCM-UHFFFAOYSA-N	310.441	3.327	10	20	DGCD	
COc1cccc([C@@H](C)NCC[C@@H](C)N2CCCCC2)c1O	846166098	SENLVUPPUOGSDF-HUUCEWRRSA-N	306.450	3.316	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)C[C@H](C)N)c(C)n1-c1ccc(F)cc1	843506579	ZELXKPIMRQWLQZ-RYUDHWBXSA-N	317.408	3.089	10	20	DGCD	
CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(N(C)C)cc2C)C1	840935385	NUDDQBZTQHKGTG-NRJQMVOHSA-N	322.518	3.230	10	20	DGCD	
Cc1ccccc1OCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756483867	YFGAKVOHABQRBN-CYBMUJFWSA-N	316.357	3.338	10	20	DGCD	
COc1cccc(CCN[C@H](C)c2ccc(F)cc2O)c1OC	756422923	OGPWXAVQUQWWOJ-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](NC(C)C)C2)c1O	750045237	NLXHEYFJMSZWQE-OAHLLOKOSA-N	324.852	3.211	10	20	DGCD	
C[C@@H](N[C@H](CO)CC(F)F)c1ccc(N2CCCCC2)cc1	760035565	BAXSQMHUTMHSKL-HIFRSBDPSA-N	312.404	3.344	10	20	DGCD	
C[C@@H](NCCc1ccn(C)n1)c1ccc(N2CCCCC2)cc1	760895849	DTGUSLUEKRAXBG-MRXNPFEDSA-N	312.461	3.304	10	20	DGCD	
Cc1nccc([C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1	768942396	ZBIXYDMJIMQCTL-QGZVFWFLSA-N	310.445	3.231	10	20	DGCD	
Cc1ccc([C@H](C)NC(=O)CN(C)c2ccc(N)cc2)cc1C	863557497	PMFNTEMCQXOBPP-HNNXBMFYSA-N	311.429	3.199	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCCCC(F)F)cc1	1119671472	LGXXUBAMINQLIF-UHFFFAOYSA-N	313.392	3.377	10	20	DGCD	
CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n(C)n1	773015986	RSDLHWHPCHMXON-ZDUSSCGKSA-N	314.433	3.101	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(C)C	1116437253	VFYOUCDCKLHTGZ-UHFFFAOYSA-N	307.457	3.055	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@H](Oc3ncccc3F)C2)c1	787289175	FNPYYWRZCRYSID-HNNXBMFYSA-N	316.376	3.278	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H]2c2cccc(F)c2)c(O)c1O	780953222	TVCHXIPPBCEINS-AWEZNQCLSA-N	301.317	3.133	10	20	DGCD	
Cc1cccc(OCCCNC(=O)c2cc(O)cs2)c1C	787929736	MDFVDZXZIFFODC-UHFFFAOYSA-N	305.399	3.269	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCO[C@H](c2ccc(F)cc2)C1	893945589	GCNXDCZSJQQACJ-INIZCTEOSA-N	323.314	3.383	10	20	DGCD	
CN=[S@](C)(=O)c1cccc(NCc2c(O)cccc2OC)c1	895733565	GJTQWXHTKXYBEI-JOCHJYFZSA-N	320.414	3.099	10	20	DGCD	
CCCc1csc(NC(=O)NCc2ccc(OC)cc2O)n1	797640428	MSZAWRCWEYMPNU-UHFFFAOYSA-N	321.402	3.132	10	20	DGCD	
CC[C@H](NC[C@@H]1CSCCS1)c1ccc(F)cc1O	796792332	GSNGEZHYDYMVES-YPMHNXCESA-N	301.452	3.421	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(SC)cc2)c(O)c1	797610397	NTHJWWRGCBVSCQ-UHFFFAOYSA-N	318.398	3.444	10	20	DGCD	
CC(C)(C)[C@@H]1CN(Cc2c(O)ccc3ccncc23)CCO1	790410270	BNQARCUXTUNGQY-KRWDZBQOSA-N	300.402	3.187	10	20	DGCD	
CC(C)(C)[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	790932193	VQWIOSGZQXUZNL-CYBMUJFWSA-N	301.789	3.432	10	20	DGCD	
COc1ccc(CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c(O)c1	794369564	HTMCQSTXSWNQRK-GOEBONIOSA-N	303.402	3.255	10	20	DGCD	
CC[C@H](NCCCN1C[C@H](C)O[C@H](C)C1)c1ccc(F)cc1O	796680473	SPLLMPZQGQFJHB-VBQJREDUSA-N	324.440	3.071	10	20	DGCD	
COC(=O)c1ccc(NCc2cc(C)ccc2O)cc1OC	794969359	IJKFTGKFUXIYDQ-UHFFFAOYSA-N	301.342	3.108	10	20	DGCD	
COc1ccc(N(C)Cc2ccc([S@@](C)=O)cc2)cc1F	1319939468	IBFXOYNUUQCJCY-OAQYLSRUSA-N	307.390	3.208	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCC[C@@H](C)CC1	1342567204	DIAXXHXEGGAWLY-LLVKDONJSA-N	306.435	3.359	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCCc1ccsc1	1346777308	DRPFQFUAAXVKRH-UHFFFAOYSA-N	304.415	3.228	10	20	DGCD	
O=C(NCc1cccc(Cl)c1O)Nc1ccccc1C(=O)O	1594771387	RNUWHFDEKSAGPE-UHFFFAOYSA-N	320.732	3.066	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCC(C)(C)C(=O)O)cc1	1596288994	AUHRWYAOXSVNFW-UHFFFAOYSA-N	306.450	3.466	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](CCC(C)C)C(=O)O)ccc21	1776875711	CEUHGYXGOOHNTD-QGZVFWFLSA-N	318.461	3.438	10	20	DGCD	
CCN1CCc2cc(CN[C@H](C(=O)O)C(C)(C)CC)ccc21	1776876556	CZDOXZFVBXBJBG-MRXNPFEDSA-N	304.434	3.048	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@]12CCCc1ccccc12	158960994	RASSULMNMISRQV-JXFKEZNVSA-N	323.392	3.008	10	20	DGCD	
Cc1noc(C2CC2)c1NC(=O)NCc1ccc(N(C)C)cc1	155083069	DPXFQYHJYAQPDF-UHFFFAOYSA-N	314.389	3.248	10	20	DGCD	
CS[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccccc2O)C1	117508147	KJWYQQBESOLTLN-KBPBESRZSA-N	308.447	3.208	10	20	DGCD	
CC(C)CN(Cc1cc2c(cc1O)OCO2)CC(F)(F)F	123836540	NNKBEVUSRMKCQR-UHFFFAOYSA-N	305.296	3.141	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@@H]1CCOC1	119981044	ZRCFATYDDZZEDU-UONOGXRCSA-N	318.442	3.310	10	20	DGCD	
CC(C)Oc1cccc([C@H](C)NC(=O)c2cccc(O)c2O)c1	186944282	JOGNAQMJYJGNFM-LBPRGKRZSA-N	315.369	3.376	10	20	DGCD	
O=C(CC1CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	128942084	FKMALLFQUCIFSR-UHFFFAOYSA-N	305.333	3.201	10	20	DGCD	
Cc1ccc(O)c(CNC(C)(C)C(=O)NCC2CCCCC2)c1	129507897	QHKLSPGBXQXUPW-UHFFFAOYSA-N	318.461	3.265	10	20	DGCD	
CCSCC[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1	75546348	HPWFWZDNBDXMNL-CQSZACIVSA-N	323.506	3.426	10	20	DGCD	
COc1ccc(CCN[C@H]2CCc3cccc(O)c32)cc1OC	323907591	RQVRRRBZWXWJOI-HNNXBMFYSA-N	313.397	3.229	10	20	DGCD	
CC(C)N1CCC(NCc2ccc3c(c2)CCCN3C)CC1	236603702	KKSPJXJZTOXUMX-UHFFFAOYSA-N	301.478	3.031	10	20	DGCD	
COc1cccc(CNC[C@]2(N(C)C)CCC[C@@H](C)C2)c1O	237214421	SAKNMWJWPDWXBE-KDOFPFPSSA-N	306.450	3.001	10	20	DGCD	
Cc1cc(C(=O)NC[C@H](C)CN)c(C)n1-c1cccc(Cl)c1	237573789	KOVZFWHHTVJVGM-LLVKDONJSA-N	319.836	3.072	10	20	DGCD	
O=C(/C=C\c1ccccc1)NCCCSc1nccs1	254987079	XCLGZKAWKPHOPY-FPLPWBNLSA-N	304.440	3.455	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H](OCC3CC3)C2)c1O	364462551	LYTYBVHIRBYMSN-INIZCTEOSA-N	305.418	3.182	10	20	DGCD	
CCC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCOCC1	272379110	VVBOPYGGSOQVAM-UHFFFAOYSA-N	317.429	3.094	10	20	DGCD	
CCCN(CC(F)F)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	385857237	FTZZTQUZCQLHPR-GQCTYLIASA-N	314.288	3.174	10	20	DGCD	
COc1ccc(CN[C@@H](c2cccnc2)C(C)(C)CO)cc1C	293576009	HIUGYUOCFHJCNS-SFHVURJKSA-N	314.429	3.248	10	20	DGCD	
CC[C@@H]1C[C@H](C)CN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	399715007	BMIIMFCDYDDBTQ-VAFIWLDWSA-N	304.346	3.317	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CN1[C@@H](C)CC[C@@H]1C	801546203	JPNLMGFHLYBHII-HOTGVXAUSA-N	318.461	3.394	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CCC[C@H]4C[C@H]43)cc2F)CC1	800967838	ASUWBRVGJKRXTE-YXJHDRRASA-N	318.436	3.065	10	20	DGCD	
CN1CC[C@H]2[C@H](CCCN2Cc2cc(Cl)c(F)cc2O)C1	816611918	AJFHRZIIZQOHTK-ABAIWWIYSA-N	312.816	3.101	10	20	DGCD	
NC(=O)CC[C@@H]1CCCN(Cc2ccc3ccccc3c2O)C1	816498751	KMGXJXXNFSBBIJ-AWEZNQCLSA-N	312.413	3.023	10	20	DGCD	
COCc1cc(=NCc2ccccc2O)c2cc(F)ccc2[nH]1	811784965	PYKMTHALSHCROK-UHFFFAOYSA-N	312.344	3.260	10	20	DGCD	
COc1ccc(N2CCN(CC3(SC)CCC3)CC2)cc1F	811467450	MTZBMVJMXSQAAJ-UHFFFAOYSA-N	324.465	3.242	10	20	DGCD	
Cc1ccc(O)cc1C(=O)NCc1ccc(N2CCCC2)cc1	816867319	LYNIBTOXCDYYQI-UHFFFAOYSA-N	310.397	3.231	10	20	DGCD	
CCN(CC)[C@@H](CNCc1c(O)cccc1OC)c1ccco1	725849740	WIWFANSYEVKDCC-HNNXBMFYSA-N	318.417	3.167	10	20	DGCD	
Cc1nc([C@@H]2CCCN(Cc3cc(Cl)c(C)cc3O)C2)n[nH]1	824933891	KIGOKKOSJGADTM-GFCCVEGCSA-N	320.824	3.160	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCN(c3ccccn3)C2)cc1Cl	825384387	AMMWCBBWJQPDNZ-AWEZNQCLSA-N	317.820	3.118	10	20	DGCD	
Cc1c(NNC(=S)Nc2ccccc2)cccc1[N+](=O)[O-]	727982241	YMYOGIXXAFOKET-UHFFFAOYSA-N	302.359	3.217	10	20	DGCD	
CC[C@@H]1COCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1	734415498	OEURCUAXOJAXHT-QGZVFWFLSA-N	312.413	3.345	10	20	DGCD	
Cn1ccc(CN(Cc2ccccc2O)C2CCCC2)cc1=O	731848460	YLEUEDCRDKYIPH-UHFFFAOYSA-N	312.413	3.036	10	20	DGCD	
CCN(CC)c1ccc(CN(CC(=O)O)C2CCCC2)cc1	902040059	WDEDJQJPRPVKQZ-UHFFFAOYSA-N	304.434	3.362	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc(C)cc1[N+](=O)[O-]	830394301	BZULETMQMYDSLZ-UHFFFAOYSA-N	305.286	3.336	10	20	DGCD	
COc1ccc(N(Cc2cccc(C(N)=O)c2)CC2CC2)cc1	831582805	IJYFDPWMKYPHJH-UHFFFAOYSA-N	310.397	3.211	10	20	DGCD	
CC(C)[C@H](Cn1cccn1)NCCCSc1nccs1	834594970	UGWOJKMDTARVOB-ZDUSSCGKSA-N	310.492	3.136	10	20	DGCD	
COC(=O)[C@@H]1CC[C@H](N[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1	903128585	CUCKCOQJGIPFMI-HNCHTBHHSA-N	307.365	3.011	10	20	DGCD	
C[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CCC1	837367904	LFGSPXLYKIYNQB-LSDHHAIUSA-N	316.445	3.137	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc([N+](=O)[O-])cc1F	830395217	VMVWYBRZPQCRLP-UHFFFAOYSA-N	309.249	3.167	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCCC(F)(F)F)cc1	743552918	VIUYUCSFLQFXFG-UHFFFAOYSA-N	317.355	3.284	10	20	DGCD	
CCc1cccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O	848913250	SKYMMUGNWYXYJY-FUHWJXTLSA-N	301.430	3.488	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCOC[C@H]2CCCO2)cc1	741244840	KKWQTFBZFZPRJR-LJQANCHMSA-N	320.477	3.160	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=S)N[C@H]1C[C@H]2CC[C@H]1C2	918061291	KWRIDDRGLYFAFK-ZOBUZTSGSA-N	317.502	3.248	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc(F)cc(F)c1O)C(=O)OC(C)(C)C	842926282	UNLNZJDGNYXKJD-RNCFNFMXSA-N	315.360	3.441	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)c1O	846148127	XHALAJNVELPPOR-GFCCVEGCSA-N	316.357	3.202	10	20	DGCD	
CC[C@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)OC	842064239	PSZDZKQVBWYREZ-CQSZACIVSA-N	302.374	3.071	10	20	DGCD	
CCn1c(=O)c(NCc2ccc(N(C)C)cc2)nc2ccccc21	848643803	VCOWEWIDMOCJMZ-UHFFFAOYSA-N	322.412	3.095	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1ccnc(O)c1	926595624	JPYMENBQTLGVAU-LSDHHAIUSA-N	313.445	3.443	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H]2CCOC2)cc1	751224585	MWFGAROEEGEHTM-QGZVFWFLSA-N	318.461	3.308	10	20	DGCD	
N[C@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2	857226189	HEZVXNRECLIZAQ-HZMBPMFUSA-N	301.217	3.012	10	20	DGCD	
Cc1cccc([C@H](O)CN[C@H](C)c2cc(F)cc(F)c2O)c1	756762747	RAHWXZPBWGQJSC-BDJLRTHQSA-N	307.340	3.363	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@H]1CC1(C)C	853748358	CIAOPGHUBFPYLB-OAHLLOKOSA-N	303.450	3.249	10	20	DGCD	
CS/C=C\C(=O)N(Cc1ccco1)Cc1ccccc1O	752087903	HGYDZSPYGCNVDD-NTMALXAHSA-N	303.383	3.391	10	20	DGCD	
C[C@H](NC/C=C/CO)c1cc(Br)cc(Cl)c1O	850508689	NDDBJKPLYNZLIF-SGJFDWMWSA-N	320.614	3.007	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(Cl)nc(O)n2)cc1F	858403943	MEFVJIYDYJYBBU-UHFFFAOYSA-N	324.787	3.433	10	20	DGCD	
COC(=O)N(C)CCN[C@@H](C)c1cc(Cl)c(Cl)cc1O	850548352	OZWCCOYJAZHNAP-QMMMGPOBSA-N	321.204	3.048	10	20	DGCD	
C[C@H]1CC(C)(C)C[C@H]1NCc1ccc(N2CCOCC2)cc1	766215436	ZYTGEGYGXGMUCE-MAUKXSAKSA-N	302.462	3.438	10	20	DGCD	
CC[C@@H](C)[C@@H](NC(=O)NCc1cc(C)ccc1O)C(F)(F)F	861021522	DJUKOKLAVVZGRK-ZWNOBZJWSA-N	318.339	3.477	10	20	DGCD	
C[C@@H](NCc1cn(C)nc1C(F)F)c1ccc(N(C)C)cc1	775833007	FFXBBHYICJEMDF-LLVKDONJSA-N	308.376	3.275	10	20	DGCD	
C[C@@H]1CC[C@@H](C)C1NCc1ccc(N2CCC(O)CC2)cc1	877077199	ZDILMFTUEVTDII-HUUCEWRRSA-N	302.462	3.172	10	20	DGCD	
CC[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1	772454725	JTOLPLBUTVUGPA-JSGCOSHPSA-N	307.413	3.364	10	20	DGCD	
CCC1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1	775658398	NWURLBINUDDJCO-UHFFFAOYSA-N	301.478	3.060	10	20	DGCD	
CCc1nc([C@@H]2CCCCN2Cc2ccc(C)cc2O)no1	876628779	VIEWRTCXAFYUOS-AWEZNQCLSA-N	301.390	3.373	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]2C2CCOCC2)c1O	777440478	XKURIJNLYJGKSB-MRXNPFEDSA-N	305.418	3.182	10	20	DGCD	
Cc1ccc(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1	775835105	FHOOFAMXZYQRHT-OAHLLOKOSA-N	311.429	3.350	10	20	DGCD	
Cc1cccc(CNc2cccc([C@@]3(C)COC(=O)N3)c2)c1O	895639537	LFTJBQSWKXAQKW-GOSISDBHSA-N	312.369	3.268	10	20	DGCD	
CN(C)c1ccc(CNC[C@](C)(O)C2CC2)c(C(F)(F)F)c1	792976146	PGLPLJOKDZJAAW-HNNXBMFYSA-N	316.367	3.022	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N[C@H]1CCCC[C@H]1C	796305419	LCAXKPWWBAKAFE-PBHICJAKSA-N	316.445	3.143	10	20	DGCD	
COC(=O)c1ncc(NCc2ccc(N(C)C)cc2)cc1Cl	795807607	GFJHCAATPIZSAH-UHFFFAOYSA-N	319.792	3.200	10	20	DGCD	
CO[C@H]1CCC[C@H](CC(=O)Nc2c(Cl)ccc3nonc23)C1	1342953724	ZITHKAWSDVIPQV-UWVGGRQHSA-N	323.780	3.410	10	20	DGCD	
O=C(O)C1(CNCc2cc(Cl)c(F)cc2O)CCCCC1	1608571093	RYUVOLVRMSFHDT-UHFFFAOYSA-N	315.772	3.309	10	20	DGCD	
Cc1cc(C(=O)CS[C@H](C)C(=O)O)c(C)n1-c1ccccc1	1594274391	GHJZUFKHEABEBF-CYBMUJFWSA-N	317.410	3.483	10	20	DGCD	
CCOc1ccc(N(CC)Cc2nc(C(=O)O)cs2)cc1	1597105713	JQANPTXZZFREPZ-UHFFFAOYSA-N	306.387	3.267	10	20	DGCD	
C[C@@H](NCc1ccc(Cl)cc1O)c1ncc(C(=O)O)s1	1593300067	ZOKWXCYTRKHSBO-SSDOTTSWSA-N	312.778	3.051	10	20	DGCD	
CC[C@@](NCc1cc(F)ccc1O)(C(=O)O)c1ccccc1	1595299334	PVRRJGRGAKCSDW-KRWDZBQOSA-N	303.333	3.011	10	20	DGCD	
Cn1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)c1	160312717	UBYRRCLTZNBIQK-KPKJPENVSA-N	320.464	3.488	10	20	DGCD	
COCC[C@@](C)(O)CN[C@H](C)c1ccc(N2CCCCC2)cc1	178365481	NKLWCKWTZOVSKP-VQIMIIECSA-N	320.477	3.115	10	20	DGCD	
CCN(C)C[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	177356056	NSHRFKJBSAKXAX-ZDUSSCGKSA-N	324.852	3.022	10	20	DGCD	
C[C@@H](N[C@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1	112536850	XCHZQODFEIIBPO-HZPDHXFCSA-N	311.429	3.330	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(Cl)c1	115282252	JVSCZBIDOPRQDS-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)OCC2CC2)cc1F	66841143	WDYPZKXOBZUJAU-CYBMUJFWSA-N	322.424	3.103	10	20	DGCD	
CSc1cncc(NCc2ccc(N3CCCC3)cc2)n1	183917722	DMNYTGVOVFDCLZ-UHFFFAOYSA-N	300.431	3.411	10	20	DGCD	
C[C@H](NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O	184912601	POFYIRWCXUABBK-MCIONIFRSA-N	324.440	3.070	10	20	DGCD	
C[C@@H](O)CCN(C)Cc1ccc(OCc2ccccc2)cc1O	183082117	NQFZEFCBSZBIIP-OAHLLOKOSA-N	315.413	3.174	10	20	DGCD	
CCC(CC)[C@@H](CN[C@@H](C)c1ccccc1O)N1CCOCC1	183406615	DREGTUQBPUZIAD-MAUKXSAKSA-N	320.477	3.180	10	20	DGCD	
Cc1nn(C)c2ncc(NCc3c(O)cccc3Cl)cc12	127285035	UPAGKLSBFCZFNA-UHFFFAOYSA-N	302.765	3.248	10	20	DGCD	
C[C@H](N[C@H]1CCCOCC1)c1ccc(Br)cc1O	186234878	LERUSRYUCMLIRS-JQWIXIFHSA-N	314.223	3.374	10	20	DGCD	
Cc1ccsc1CNC(=O)N(C)Cc1ccc(N(C)C)cc1	45544174	ZMMVWQYHLLILKL-UHFFFAOYSA-N	317.458	3.464	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCN2CCC(C)CC2)c1	192936795	PKIWZWBOBZBLJD-HNNXBMFYSA-N	306.450	3.173	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1c(O)cccc1F	132049951	GBAYEWMNCSGBAR-UHFFFAOYSA-N	300.333	3.384	10	20	DGCD	
C[C@H](NC[C@H](C)CCO)c1ccc(N2CCCCC2)c(F)c1	268973918	ZVVXALMBPPRVOV-CABCVRRESA-N	308.441	3.485	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c(O)c1O	272738119	LNTIELOVHPMAKW-CYBMUJFWSA-N	319.401	3.018	10	20	DGCD	
C[C@H](N[C@H](CO)c1c(F)cccc1F)c1cc(F)ccc1O	273465839	IUJOVISOBYFWLL-LKFCYVNXSA-N	311.303	3.194	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@]2(N(C)C)CCSC2)c(O)c1	294786307	OBHXNXZNSAMBCB-YOEHRIQHSA-N	308.491	3.097	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2c[nH]c(C(F)(F)F)c2)cc1	292139394	DVPORGTUFDLSAX-UHFFFAOYSA-N	311.307	3.030	10	20	DGCD	
CO[C@@H](C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800046637	ANCIQRNANDBKAI-STQMWFEESA-N	324.852	3.227	10	20	DGCD	
Cc1cc(O)c(CN2CCCC[C@@H]2COC(=O)N(C)C)cc1C	809708481	CWFHBSPBKDDEAF-MRXNPFEDSA-N	320.433	3.062	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC1(F)F	294577517	XTMCMLMWRRESOY-HNNXBMFYSA-N	308.372	3.291	10	20	DGCD	
CC(C)OCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	298306038	CKKDLXDQRWVGBQ-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
C[C@@H](NC[C@H]1CCCNC1)c1ccc(N2CCCCC2)cc1	817946476	XYSLWWIVSZKJLV-SJORKVTESA-N	301.478	3.327	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCN1	817894293	LEIRYSHWIKUNEA-GBESFXJTSA-N	301.478	3.071	10	20	DGCD	
O=C1CCCCN1CCCNCc1ccc2ccccc2c1O	816548288	CAIJLSQDLJWDOW-UHFFFAOYSA-N	312.413	3.038	10	20	DGCD	
Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)cc1[N+](=O)[O-]	812463056	BWLPMVCDELBDEH-JTQLQIEISA-N	320.320	3.497	10	20	DGCD	
Cc1ccc(C(=O)NC[C@H]2CCCCC(F)(F)C2)c(O)c1O	816789537	QSLOLVGXYYMKEN-NSHDSACASA-N	313.344	3.352	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1F	816665981	BHWGZONPNIWUKC-ROUUACIJSA-N	304.409	3.035	10	20	DGCD	
C[C@H](NCc1cc(Cl)c(F)cc1O)[C@@H](O)Cc1ccccc1	816558122	NULKTMDGAZDLIS-ZBEGNZNMSA-N	323.795	3.266	10	20	DGCD	
CO[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	814405515	MRWNQDUVFKMNKD-WMZOPIPTSA-N	316.445	3.108	10	20	DGCD	
COc1cccc(O)c1CN1CC2(CCC2)[C@H]1C1CCOCC1	822530182	SSZNFAREGFQJOB-GOSISDBHSA-N	317.429	3.182	10	20	DGCD	
CN(C)CCCOc1cccc(NC(=O)c2cc(O)cs2)c1	827271969	XDIUBDJDMLNOGH-UHFFFAOYSA-N	320.414	3.037	10	20	DGCD	
COc1cccc(O)c1CN1CC2(CCC2)[C@@H]1C1CCOCC1	822530183	SSZNFAREGFQJOB-SFHVURJKSA-N	317.429	3.182	10	20	DGCD	
C/C(=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	588432680	WMXRPGZIVVLCJG-ZVHGMHCTSA-N	311.381	3.249	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc(Br)cc(F)c1O)[C@@H](C)O	834886960	GGYHVUGRKGVWSV-RWYTXXIDSA-N	320.202	3.104	10	20	DGCD	
COc1cc(CN(C)C(=O)c2cc(O)cs2)ccc1SC	732281063	YQQXOXCODJPLSU-UHFFFAOYSA-N	323.439	3.456	10	20	DGCD	
O=C(O)[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)c2ccccc21	905009504	UXRCJQSUVXWFHV-SJORKVTESA-N	309.365	3.024	10	20	DGCD	
CC(C)(CCC(=O)NCc1ccc(O)cc1O)c1ccccc1	910949592	LIVNDKMKJSWMOP-UHFFFAOYSA-N	313.397	3.472	10	20	DGCD	
Cc1cc(C(=O)CSCCCO)c(C)n1-c1ccccc1	840212941	PTVSZLFEPVYGGM-UHFFFAOYSA-N	303.427	3.392	10	20	DGCD	
CN(C)c1ccc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)cc1	917091298	OJDGKEGCJTZGOQ-UHFFFAOYSA-N	312.373	3.225	10	20	DGCD	
CCOc1cc(NC(=O)NCc2ccccc2O)ccc1OC	748447165	LJIOFMYVQFCPJK-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
CCOc1cccc(CN[C@H](CCCN)c2ccccc2)c1O	841086834	MZDIRGYCMBZXQQ-QGZVFWFLSA-N	314.429	3.361	10	20	DGCD	
CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	840540683	WFUOMFFEKXQOMA-CWCIKPCXSA-N	303.402	3.442	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1O	846155732	CIDGVCYMGYGHQO-GHMZBOCLSA-N	304.394	3.054	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2cnc(C)s2)cc1	844399061	FIZCGEDMTMXFBZ-UHFFFAOYSA-N	305.447	3.028	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2n[nH]c3ccccc23)cc1	846052135	LEIZKMDARCKIMS-UHFFFAOYSA-N	324.428	3.140	10	20	DGCD	
Cc1ccc2c(CCC(=O)NCc3ccccc3O)c[nH]c2c1	745992789	CFRUJUISIXCGEV-UHFFFAOYSA-N	308.381	3.431	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CO[C@@H](C)C1	844104071	CNAHQYNAVGXZEU-QWHCGFSZSA-N	304.415	3.063	10	20	DGCD	
CC[S@@](C)(=O)=NC(=O)c1sccc1-n1c(C)ccc1C	925847554	SQNFCKPTAGKYFV-HXUWFJFHSA-N	310.444	3.414	10	20	DGCD	
OCC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1F	922213206	ZALJSBRDKRALFI-GOSISDBHSA-N	315.388	3.364	10	20	DGCD	
COCC[C@H](C)CNCc1cc(OC)cc(C(C)(C)C)c1O	850324325	JRQHROBPFRUIBA-ZDUSSCGKSA-N	309.450	3.461	10	20	DGCD	
CC[S@@](C)(=O)=NC(=O)c1ccc(-n2c(C)ccc2C)cc1	925860390	YBSPGNUOZQUNAL-OAQYLSRUSA-N	304.415	3.352	10	20	DGCD	
C/C=C\C[C@H](CO)NCc1cc(OC)cc(C(C)(C)C)c1O	850249579	DJRJGWFWPYZPBD-LMVHVUTASA-N	307.434	3.115	10	20	DGCD	
C[C@@H]1C[C@H](NCCCOC[C@@H]2CCCO2)c2c(O)ccc(F)c21	756357023	BIRAWZJSNNWHJM-IPYPFGDCSA-N	323.408	3.255	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(F)cc1O	850500669	GEFDUHNTRAYYPY-QSKNSHDSSA-N	313.438	3.262	10	20	DGCD	
Cc1ccncc1[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756674932	DOHVXYLZDKJKSN-NEPJUHHUSA-N	301.346	3.416	10	20	DGCD	
C[C@@H](NCc1ccnc(N(C)C)n1)c1ccc2ccccc2c1O	756792120	YSLKGMFFSKLENP-CYBMUJFWSA-N	322.412	3.252	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)c1cc(F)cc(F)c1O	756757922	DAGZSCJAORNDQK-PRXAMGSTSA-N	321.367	3.313	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)[C@H]1CC12CCCC2	765768296	IQGONQMOEIDWER-LLVKDONJSA-N	324.218	3.351	10	20	DGCD	
Cc1noc2ncc(NCc3ccc(N(C)C)c(F)c3)cc12	765944189	LFCJLRUBEGXIGD-UHFFFAOYSA-N	300.337	3.348	10	20	DGCD	
CCCN1CCC(N(C)Cc2ccc(OCC)cc2O)CC1	768920213	IVCYBLOLOUFVOR-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ns1	767757424	ZWPLCZBAASCSOJ-UHFFFAOYSA-N	315.442	3.372	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@H](F)c1ccccc1	769581683	YEMSHYGKSRNMDB-GFCCVEGCSA-N	310.419	3.452	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H]3CCCC[C@@H]3C2)c1O	1116811592	ITOKZWSWRYEJRH-CHWSQXEVSA-N	320.389	3.321	10	20	DGCD	
N[C@H]1C[C@@H](CN[C@H](CCc2ccccc2)c2ccccc2O)C1	873251804	OJOUVRNPXAJZSF-ZIFCJYIRSA-N	310.441	3.393	10	20	DGCD	
COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccccc1O	879648822	AXYFXNCMWOOSMS-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H](O)c1ccc(F)cc1	775166844	BHUGBFFPRGPNJX-CQSZACIVSA-N	313.731	3.147	10	20	DGCD	
Cc1ccc(CNC[C@](C)(O)c2ccccc2Cl)c(O)c1	877374857	PPTLKVKCHJGYGT-KRWDZBQOSA-N	305.805	3.351	10	20	DGCD	
COc1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1Cn1cccn1	873130787	KWDXZNDEMUQSIP-BPQIPLTHSA-N	311.429	3.218	10	20	DGCD	
COc1ccc2c(c1)[C@@H](C(=O)N(C)c1ccc(N)cc1)CCC2	877074397	IXVWIKLHTZTJQO-KRWDZBQOSA-N	310.397	3.360	10	20	DGCD	
COC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(N(C)C)cc1	771524201	DWMHMFOBPNLRLB-SFHVURJKSA-N	312.413	3.099	10	20	DGCD	
Cc1cccc2sc(NC(=O)c3cccc(O)c3O)nc12	776322702	DCDPYEGFONAOEJ-UHFFFAOYSA-N	300.339	3.268	10	20	DGCD	
CC(C)CCN(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1	775648708	IKLMKXGWZUDPDL-UHFFFAOYSA-N	315.505	3.449	10	20	DGCD	
CCc1nnc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	775435121	SLMGIQDBRQTCOJ-JTQLQIEISA-N	319.434	3.049	10	20	DGCD	
Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)s1	779501213	VANIYKSBIUTLOF-AYLMVEPYSA-N	303.383	3.358	10	20	DGCD	
CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc21	779527091	HINDEOBBOAYERL-NTMALXAHSA-N	309.365	3.435	10	20	DGCD	
Oc1ccccc1CN1CCN(Cc2ccccc2Cl)CC1	770509295	KQEHHZJSCBWHFN-UHFFFAOYSA-N	316.832	3.363	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CC(=O)c2ccccc21)c1ccc(N(C)C)cc1	789665182	BABPTTDTBJSSCK-SCLBCKFNSA-N	322.408	3.300	10	20	DGCD	
COc1ccccc1-c1nnc(NCc2cc(C)ccc2O)o1	789878940	QFGVXTQEYZUSMF-UHFFFAOYSA-N	311.341	3.371	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@]2(C)CCO[C@@H]2C)cc1	784243197	WACDAYVWMDUHJY-BEFAXECRSA-N	312.413	3.391	10	20	DGCD	
COc1ccc(CNCC[C@@H]2C[C@H]3C=C[C@H]2C3)c(O)c1OC	895205300	POOGLFHLSKRHSF-MELADBBJSA-N	303.402	3.101	10	20	DGCD	
CN(C)c1ccc(/C=C\c2nccc(O)n2)c(C(F)(F)F)c1	794942476	NJHDSEPHCGTBLM-XQRVVYSFSA-N	309.291	3.437	10	20	DGCD	
CC1=C(C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	797440882	FLMHLBQFITXYRR-UHFFFAOYSA-N	305.397	3.143	10	20	DGCD	
Cn1nccc1[C@@H]1CCC[C@@H](NCc2ccc3c(c2)CCO3)C1	790486107	LFHZEFAGEIWCTL-NVXWUHKLSA-N	311.429	3.171	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@H](F)C1	1326752212	OSFMEABLPIQGJF-GJZGRUSLSA-N	307.413	3.141	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCO[C@]2(CCOC2)C1	1320130702	AXVXCIXOBXBGKV-BKEDOTJMSA-N	317.429	3.177	10	20	DGCD	
CO[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	1335890323	XANLVTMOMXTNGZ-ZWKOTPCHSA-N	316.445	3.108	10	20	DGCD	
O=C(O)[C@H](CNCc1cc(F)cc(F)c1O)C1CCCCC1	1608538129	FMRCZPVKUBWBSS-CYBMUJFWSA-N	313.344	3.041	10	20	DGCD	
CC(C)c1[nH]c(CNCc2ccc3c(c2)CCO3)cc1C(=O)O	1591917755	AXOYJNUMDRYIQS-UHFFFAOYSA-N	314.385	3.061	10	20	DGCD	
CCC[C@H](CC(=O)O)NCc1ccc(N(CC)CC)c(F)c1	1776830382	NHEFWBSIIIISIO-CQSZACIVSA-N	310.413	3.405	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3c(O)ccc4ccccc34)CC[C@@H]21	164624046	QQFCNDVOSPAYRZ-APWZRJJASA-N	310.441	3.462	10	20	DGCD	
COCC1CCN(Cc2c(O)cccc2Br)CC1	707139460	IXQKHNSGJKHEJT-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
CO[C@H](C1CC1)[C@H](C)NCc1cccc(Br)c1O	388204393	CPNVWVHNSULXRF-XPTSAGLGSA-N	314.223	3.058	10	20	DGCD	
Nc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1	390750407	SBSYBBMFSKNFQO-GOSISDBHSA-N	324.428	3.055	10	20	DGCD	
Cc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)c(C)o1	114505263	UPRCEZGSQZQREI-UHFFFAOYSA-N	318.392	3.162	10	20	DGCD	
Cc1cccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c1	178017929	CFEXDUQXPOCHRG-JYRVWZFOSA-N	316.407	3.384	10	20	DGCD	
COCCOCCN(Cc1ccccc1)Cc1ccccc1O	179583676	KSBDQXJYYVVPQP-UHFFFAOYSA-N	315.413	3.057	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C[C@H](C)c2ccccc2F)c1	114541408	YGLQKFXOGIBZOW-LBPRGKRZSA-N	317.360	3.350	10	20	DGCD	
COc1ccc(O)c(CNc2cc(Cl)nc(C3CC3)n2)c1	301963391	IYPIMAUYKKTPTA-UHFFFAOYSA-N	305.765	3.334	10	20	DGCD	
C[C@@H](NCCNC(=O)CC1CCCCC1)c1cc(F)ccc1O	186033347	GSWBSCGKOGLIHC-CYBMUJFWSA-N	322.424	3.269	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c1O	74091703	WVKNESUHYCBHDM-DZGCQCFKSA-N	320.433	3.415	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@@H](CN2CCCCC2)C1	180470895	SYASCRZHDNQBHB-AWEZNQCLSA-N	308.853	3.353	10	20	DGCD	
C[C@H](Nc1ccc(OC2COC2)cc1)c1ccc(F)cc1O	188656177	DSDGLTSFDREAKZ-NSHDSACASA-N	303.333	3.482	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cc(C)ccc1O	185350542	YHNCRXRWUDNDHA-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
C[C@H](N[C@H](Cn1ccnc1)C(C)(C)C)c1ccc(F)cc1O	316334592	CEVZFRPJCBYEIY-BLLLJJGKSA-N	305.397	3.493	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1F	189430160	HRFUONAATVBZIS-UHFFFAOYSA-N	313.325	3.034	10	20	DGCD	
Oc1c(Br)cccc1CNC[C@@H]1CCCS1	87473298	CPHRVFNVOHGGJI-JTQLQIEISA-N	302.237	3.140	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccoc2)cc1	194517580	GTCWRNLEZZUAFV-UHFFFAOYSA-N	301.390	3.125	10	20	DGCD	
CC(C)COc1cccc(CNC(=O)Cc2ccc(N)cc2)c1	236698680	MSNJJSVLKYURGK-UHFFFAOYSA-N	312.413	3.163	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN(CC(F)F)C2CC2)c1O	93276480	KKTXXRMOOSZTPP-UHFFFAOYSA-N	306.696	3.183	10	20	DGCD	
Cc1c(CNC(=O)C(C)(C)OC(C)C)n(C)c2ccccc12	451312430	JQOABJLKXMPFKE-UHFFFAOYSA-N	302.418	3.307	10	20	DGCD	
CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccccc2O)cc1	270207557	KXJBTYUYLCJCSX-CYBMUJFWSA-N	319.426	3.037	10	20	DGCD	
COc1ccc(CNCCOCC(F)(F)C(F)F)cc1C	277430394	CHEBLCHITGDSSJ-UHFFFAOYSA-N	309.303	3.010	10	20	DGCD	
C[C@@H](NCc1cnnn1C)c1ccc(N2CCCCCC2)cc1	287233680	GWCUUHDGVVNWMG-OAHLLOKOSA-N	313.449	3.046	10	20	DGCD	
Cc1nc(C(C)C)oc1C(=O)N(C)Cc1ccc(N(C)C)cc1	292204216	IRNCBOWMILRZNJ-UHFFFAOYSA-N	315.417	3.445	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)c2noc(COC(C)C)n2)cc1C	291035667	YTQHNFWNPILDKB-ZDUSSCGKSA-N	319.405	3.168	10	20	DGCD	
Cc1cc([N+](=O)[O-])ccc1NNC(=S)Nc1ccccc1	806589360	DWFAQVOGGZQBLF-UHFFFAOYSA-N	302.359	3.217	10	20	DGCD	
C[C@@H](CCO)CCN[C@H](C)c1cc(Br)ccc1O	297401193	SMNNYAPLLKLNTC-GHMZBOCLSA-N	316.239	3.214	10	20	DGCD	
OC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F	809697886	QYTDQXLUGSSBAT-ZYHUDNBSSA-N	323.742	3.038	10	20	DGCD	
CCCCOC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	807273391	VZURTONEZNKXOW-UHFFFAOYSA-N	318.461	3.452	10	20	DGCD	
FC1(F)COCCN(Cc2ccc(N3CCCCC3)cc2)C1	809787524	GVTCEWNQAXKBHI-UHFFFAOYSA-N	310.388	3.144	10	20	DGCD	
CCC(C)(CC)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819590062	WHMFLIONSUCLLU-OAHLLOKOSA-N	318.461	3.464	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@H](c2ccccc2)C2CC2)cc1	817942608	PWBBQWVDUSEMOG-VQTJNVASSA-N	309.457	3.493	10	20	DGCD	
C[C@@H]1CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CC1	819169257	YWKBTJDGOMKFSU-HIFRSBDPSA-N	316.401	3.125	10	20	DGCD	
C[C@@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1	815093052	AFRJUALTGBCQBN-KUHUBIRLSA-N	316.420	3.146	10	20	DGCD	
Oc1c(CN[C@@H]2CCN(CC(F)(F)F)C2)ccc2ccccc12	816544702	QANKVJAASTXKPE-CQSZACIVSA-N	324.346	3.272	10	20	DGCD	
Cc1cc(O)c(CN2CCC3(CC2)OCCCO3)cc1Cl	826017831	VYECRWYJCZITTQ-UHFFFAOYSA-N	311.809	3.083	10	20	DGCD	
CO[C@H](CNCc1cccc(Cl)c1O)Cc1ccccc1	824590193	LXVOYTPXQPJRBO-HNNXBMFYSA-N	305.805	3.393	10	20	DGCD	
CC(C)n1ccc(CNCc2ccc(Br)cc2O)n1	825297445	FUKXQLLQXDXBJL-UHFFFAOYSA-N	324.222	3.222	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCCN1c1ccccc1)c1ccccc1O	827946453	IKGMAFDYQRZBKU-PBHICJAKSA-N	310.397	3.238	10	20	DGCD	
CCc1cccc(CNC[C@H]2CCCN(CC3CC3)C2)c1O	827951104	WLLSHAROKCGFMC-MRXNPFEDSA-N	302.462	3.166	10	20	DGCD	
CCOc1ccc(CN2CCCC[C@H]2CCC(=O)O)c(O)c1	903695172	RBEKXUOXCPCFQP-AWEZNQCLSA-N	307.390	3.010	10	20	DGCD	
O=C(O)C[C@H](NCc1ccc2c(c1)CCCO2)c1cccs1	900031541	CTOWHLASWQLTKA-AWEZNQCLSA-N	317.410	3.379	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1	733757615	OQVAICVUZGRGGQ-FGTMMUONSA-N	316.445	3.059	10	20	DGCD	
Cc1cc(Br)c(O)c(CNCc2cnc(C)o2)c1	839169799	JHGHUAJZOUCHKO-UHFFFAOYSA-N	311.179	3.049	10	20	DGCD	
C[C@@H]1CCC[C@@](CNCc2ccc(N(C)C)c(F)c2)(N(C)C)C1	733325813	YOMMPPHEWJDVPK-DNVCBOLYSA-N	321.484	3.492	10	20	DGCD	
COc1ccc(N(CCOC[C@H]2CCCO2)CC2CC2)cc1	831587486	BFXSCKJVONBKPP-GOSISDBHSA-N	305.418	3.107	10	20	DGCD	
COc1cccc(O)c1CNc1ccc(CN(C)C)cc1F	840957500	IOYPQIJKDQDNNW-UHFFFAOYSA-N	304.365	3.214	10	20	DGCD	
CCOC(=O)c1coc(NCc2ccc(N3CCCC3)cc2)n1	842023812	IFMKBLGDEVKYSC-UHFFFAOYSA-N	315.373	3.064	10	20	DGCD	
O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccccc1O	748349969	NXMJLCRBEREULE-UHFFFAOYSA-N	322.364	3.296	10	20	DGCD	
CCO[C@@H](C)c1noc(CN(C)Cc2cc(C)c(C)cc2O)n1	743370461	DLYYSCMCMQAZBJ-ZDUSSCGKSA-N	319.405	3.122	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@H]1COc2ccccc2O1	743870573	XYEWXVGENMPILZ-INIZCTEOSA-N	313.397	3.444	10	20	DGCD	
CCc1cccc(CN(C)[C@H](CO)c2ccc(OC)cc2)c1O	848887338	UAEQPOKHUHCJFY-GOSISDBHSA-N	315.413	3.129	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](CCO)c1ccccc1	840933466	HEFJTDNYBKEDHU-LJQANCHMSA-N	312.457	3.317	10	20	DGCD	
CCOCc1cc(CNC2CCC(C)(O)CC2)ccc1OC	749296606	QWVDZCFWNIPBJW-UHFFFAOYSA-N	307.434	3.015	10	20	DGCD	
C[C@@H]1C[C@@H]1c1noc(-c2csc(Cc3ccc(N)cc3)n2)n1	843189735	CBIAYQJNLOERKX-SKDRFNHKSA-N	312.398	3.490	10	20	DGCD	
COc1cccc(CN2CCN(c3ccc(C)cc3)CC2)c1O	753585464	HPTNFLXRDVKTHV-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCCN(CC3CC3)C2)c1	853239391	GODGBDYLXRZOSR-GOEBONIOSA-N	318.461	3.173	10	20	DGCD	
C[C@@H]1C[C@H](NCCCOC[C@H]2CCCO2)c2c(O)ccc(F)c21	756357026	BIRAWZJSNNWHJM-NFAWXSAZSA-N	323.408	3.255	10	20	DGCD	
CC[C@]1(CO)CCCN(Cc2cc(F)c(N(C)C)cc2F)C1	862333123	NTXQBHVZVOLOID-KRWDZBQOSA-N	312.404	3.015	10	20	DGCD	
C[C@H]1CCc2ccccc2N1Cc1cc2c(cc1O)OC[C@@H]2O	768462122	JPPFFUAGPOINJF-SGTLLEGYSA-N	311.381	3.159	10	20	DGCD	
CCC1(CC)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1	877580527	RZZHYSBFUOWXIL-UHFFFAOYSA-N	302.462	3.270	10	20	DGCD	
C[C@@H](N[C@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1	773103839	LTIIGNWMGMEGLJ-QAPCUYQASA-N	302.462	3.489	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC12CCC2	876425380	ATYLMSYRMLSPDJ-INIZCTEOSA-N	301.434	3.227	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1cccnc1[N+](=O)[O-]	886028763	WFKWDOYXMCAMFG-UHFFFAOYSA-N	301.346	3.108	10	20	DGCD	
O=C(N[C@@H]1CCc2c(Cl)cccc21)c1cccc(O)c1O	776338122	FHQFDQSWRQJCIO-CYBMUJFWSA-N	303.745	3.169	10	20	DGCD	
O=C(NOCCO)Nc1ccc(N=Nc2ccccc2)cc1	776295682	MXBUTJRTQXDHSI-UHFFFAOYSA-N	300.318	3.147	10	20	DGCD	
CC(C)NC1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775670069	HMDYEIMWXDNYSY-UHFFFAOYSA-N	300.805	3.147	10	20	DGCD	
CCOc1cccc(CNC(C)(C)[C@@H](O)c2ccccc2)c1O	895657624	BHQVLHDFGNAGKH-SFHVURJKSA-N	315.413	3.393	10	20	DGCD	
CC[C@@H](O)CCNCc1ccc2c(c1)CCN2Cc1ccccc1	796320552	PODWBXLGXYIJQN-HXUWFJFHSA-N	324.468	3.500	10	20	DGCD	
COc1cccc(CNC(=O)c2c(F)cccc2SC)c1O	798980466	QHZWQROJDBZNDC-UHFFFAOYSA-N	321.373	3.192	10	20	DGCD	
c1ccc(CN2CCc3cc(CNC[C@@H]4CCOC4)ccc32)cc1	796263366	JHWNKNVVQFYCCB-IBGZPJMESA-N	322.452	3.375	10	20	DGCD	
C[C@@H](CN[C@H]1CCc2cccc(O)c21)N(C)Cc1ccccc1	390563192	NOAYFQGKWSPEIF-YJBOKZPZSA-N	310.441	3.490	10	20	DGCD	
COc1ccc(CNC(=O)/C=C\c2ccc(Cl)cc2)c(O)c1	794389385	MNDQEHQYMPSNEE-WTKPLQERSA-N	317.772	3.384	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2CCCCO2)c(C(F)(F)F)c1	792936853	WUDQWNYVLLEBDF-CQSZACIVSA-N	316.367	3.430	10	20	DGCD	
C[C@H](NC(=O)C1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1	795592467	LCCUAOIMJUDLBY-AWEZNQCLSA-N	316.445	3.137	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](CO)CC(F)(F)F	1321037647	PVOARIQGWPCXDV-GMTAPVOTSA-N	303.324	3.152	10	20	DGCD	
CCOC(=O)C[C@H]1CCCN1Cc1ccc(N2CCCC2)cc1	1320765637	YBBVYWPDYJLGOH-GOSISDBHSA-N	316.445	3.204	10	20	DGCD	
CS[C@H]1CCC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1	1330699270	SWPOFTZTMLVVLA-KGLIPLIRSA-N	308.447	3.174	10	20	DGCD	
CCc1ccc2c(c1)CCN2C(=O)NCCc1ccc(N)cc1	1335590833	QZYWXFYKOFZURG-UHFFFAOYSA-N	309.413	3.146	10	20	DGCD	
C[C@@H](CNCc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C	1330850305	NQTGJJAYHVLVEQ-HNNXBMFYSA-N	321.484	3.349	10	20	DGCD	
O=C(CCNc1ccccc1)NCc1c(O)ccc2c1CCCC2	1333756514	LZVIYRPNMLXEHR-UHFFFAOYSA-N	324.424	3.389	10	20	DGCD	
CC1(C)Oc2ccc(NC(=O)NCc3ccc(N)cc3)cc2O1	1576495640	YNRIQXRCWIBDQN-UHFFFAOYSA-N	313.357	3.098	10	20	DGCD	
CC(C)(C)c1ncc(CNCc2ccc(C(=O)O)cc2O)s1	1776283833	FSMOKSFOAQXXTN-UHFFFAOYSA-N	320.414	3.134	10	20	DGCD	
CC(C)(Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1	158040691	XCMYLVFVTFANCL-UHFFFAOYSA-N	313.397	3.025	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cccnc1Cl	156319772	XMFDNBZHUMSZQQ-UHFFFAOYSA-N	316.788	3.249	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCC[C@@H]1C(F)(F)F	159084559	RVJOAYFPQIGRIP-QWRGUYRKSA-N	317.307	3.083	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2C2CC2)cc1F	176036243	RQFVSOMQLCDTTM-CABCVRRESA-N	304.409	3.334	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1CCCc2c(F)ccc(F)c21	119302934	YUMMMDABFLLSQI-VMPITWQZSA-N	300.308	3.352	10	20	DGCD	
CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1	179536283	KCNSOWFJUOGOAU-NEPJUHHUSA-N	309.431	3.200	10	20	DGCD	
CN(CC[C@@H]1CCOC1=O)Cc1ccc(N2CCCCC2)cc1	120057613	FFBVEBQFPULDAK-QGZVFWFLSA-N	316.445	3.062	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H]3OCCC[C@@H]3C2)c1	129151262	BJYYYHBNPXDUSD-DYVFJYSZSA-N	319.445	3.396	10	20	DGCD	
C[C@H](NC1CCC2(CC1)OCCO2)c1cc(Cl)ccc1O	185052202	BOSURPVZOCCYJR-NSHDSACASA-N	311.809	3.382	10	20	DGCD	
O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cccc(O)c1O	187209260	BKEPUSPZUQHEJB-UHFFFAOYSA-N	319.267	3.164	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)cc2)c1	78493459	AIFWWRMGNRPFCA-SNVBAGLBSA-N	304.321	3.423	10	20	DGCD	
Cc1ccnc(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)n1	185669368	VYPCBZADVVPQBK-UHFFFAOYSA-N	321.336	3.116	10	20	DGCD	
CCOc1cccc(CNC[C@@H](c2cccs2)N(C)C)c1O	74336707	JUPFBGZHBVOXRR-AWEZNQCLSA-N	320.458	3.245	10	20	DGCD	
CCCOc1cc(F)ccc1NC(=O)c1cccc(O)c1O	187188846	POSGWUUODPIDEL-UHFFFAOYSA-N	305.305	3.278	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCc2ccc3c(c2)OCCO3)c1	192743374	IVFQKCNUUWSKLM-AWEZNQCLSA-N	313.397	3.365	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@@H]2CCCN(C)C2)cc1	92253909	YBYOAUOXGSWUAM-GOSISDBHSA-N	303.494	3.306	10	20	DGCD	
CCNC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1	268303955	OVNBSUMYBQCXIZ-HNNXBMFYSA-N	312.413	3.092	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCc3nc(C)ncc3C2)cc1	363904111	PRFCOZZJARBUBL-GOSISDBHSA-N	324.472	3.278	10	20	DGCD	
C[C@H](CO)CCCN[C@@H](C)c1ccc(Br)cc1O	273546724	ZNBIJEBFZBRNFC-QWRGUYRKSA-N	316.239	3.214	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCc2nnc(C)s2)cc1	289933377	VONMLSGGKMIOQK-LBPRGKRZSA-N	304.463	3.196	10	20	DGCD	
Cc1ccc(O)c(CN(C)Cc2nc(-c3cccs3)no2)c1	289598408	VCPSGXQSRVOUDD-UHFFFAOYSA-N	315.398	3.444	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C2CC2)C(F)(F)F)c1	287231335	GQWXBFYLIZYQLZ-AMIZOPFISA-N	317.307	3.170	10	20	DGCD	
COCCN(CC1CC(F)(F)C1)c1ccc(OC)c(OC)c1	294969427	OFJBRNWZFWQORE-UHFFFAOYSA-N	315.360	3.202	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cc(N)ccc1[N+](=O)[O-]	800852438	JWSITUFNUKOLIZ-UHFFFAOYSA-N	300.362	3.164	10	20	DGCD	
CCc1ccc(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1C	819007681	CPSCWRUMBJBWNR-UHFFFAOYSA-N	324.380	3.232	10	20	DGCD	
Cc1cc(CN2CCC3(CCCN3C)CC2)ccc1N(C)C	815079502	UHMIQYPFQMCYRJ-UHFFFAOYSA-N	301.478	3.121	10	20	DGCD	
Nc1ccc(CCN[C@H]2CCCOc3ccc(F)cc32)cc1	817955768	HJLRMBPCGFNBLY-KRWDZBQOSA-N	300.377	3.454	10	20	DGCD	
CCn1c(-c2ncccc2C)nnc1N(C)Cc1ccccc1O	812038155	HSQYIVLATZNFQV-UHFFFAOYSA-N	323.400	3.010	10	20	DGCD	
CN(Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccc1O	824593157	LSJWYOSLUGQTPX-GOSISDBHSA-N	313.397	3.192	10	20	DGCD	
CC[C@]1(C(=O)O)CCCN(Cc2ccc(N(C)C)cc2C)C1	904398800	TUHZFNLWEXOTRC-SFHVURJKSA-N	304.434	3.138	10	20	DGCD	
CCn1cc(-c2n[nH]cc2C(=O)N2C[C@@H](C)c3ccccc32)cn1	495013875	AFTQOGIPGQJWKS-GFCCVEGCSA-N	321.384	3.057	10	20	DGCD	
Cc1cc(C(=O)NCCCSc2nccs2)c(C)n1C	733972291	BZNJHZXDWISVGG-UHFFFAOYSA-N	309.460	3.011	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCn1cccc1	839919911	WWMUHRHGKGYUNZ-MRXNPFEDSA-N	313.445	3.000	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CCN(C)C)cc1	733165858	MHBQNTTVCRGTHI-AWEZNQCLSA-N	313.445	3.164	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)C(C)(C)C2CCCC2)cc1	832267055	MCKGCKTYVOPZBA-QGZVFWFLSA-N	317.477	3.085	10	20	DGCD	
COc1ccc(CNC[C@]2(O)CCCc3ccccc32)cc1C	731360889	UFWBBKDSFMCSPZ-HXUWFJFHSA-N	311.425	3.317	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc([N+](=O)[O-])c(F)c1	830394765	LRDUUDOSFWGSDM-UHFFFAOYSA-N	309.249	3.167	10	20	DGCD	
C[C@@H]1CC[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	839146317	CIEYUINARLTKTA-TZMCWYRMSA-N	310.388	3.080	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cccc(Cl)c2)cc1	841041451	CJCMKASRNBTLOE-KRWDZBQOSA-N	303.837	3.196	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1N	843053695	RERHFNABBUBCHQ-IEBWSBKVSA-N	301.478	3.236	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H]2CN(C)Cc3ccccc32)c1O	846157685	OMKDBLXAOQGEMB-CXAGYDPISA-N	312.413	3.238	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2	916648594	XCCFLMCYAZPHNL-SOUVJXGZSA-N	302.418	3.360	10	20	DGCD	
C[C@H]1[C@@H](CO)CCCN1Cc1ccc(N2CCCCC2)cc1	840978132	LKEMROZDUMYQNJ-FUHWJXTLSA-N	302.462	3.270	10	20	DGCD	
COc1cccc([C@H](C)NCC2(N(C)C)CCCCC2)c1O	846136852	KOXDWRXXDWVITE-AWEZNQCLSA-N	306.450	3.316	10	20	DGCD	
C[C@H](NC[C@]1(N(C)C)CCSC1)c1ccc(Cl)cc1O	841756228	WCILOQGULPEAJA-XHDPSFHLSA-N	314.882	3.134	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc([N+](=O)[O-])cc1Cl	748326065	XKFIBVCTPWOSEB-UHFFFAOYSA-N	321.720	3.276	10	20	DGCD	
COc1ccc(CN(C(=O)Nc2ccc(N)cc2)C2CC2)cc1	841302532	YXJBYDGAQZOINA-UHFFFAOYSA-N	311.385	3.474	10	20	DGCD	
CCc1cccc(CNC2(c3ccc4c(c3)OCO4)CC2)c1O	848899814	UDQHSEPJYHWYTO-UHFFFAOYSA-N	311.381	3.462	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@@H](C)c1ccc(C)c(C)c1O	756663121	GQGDRAGILAURAR-ZDUSSCGKSA-N	317.433	3.164	10	20	DGCD	
C[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1	920232373	QAHMDRZPPPVPNH-GOEBONIOSA-N	303.450	3.378	10	20	DGCD	
O=C(c1cc(O)cs1)N(CCN1CCCCCC1)C1CCC1	854470222	YTMPVEQJSHURLT-UHFFFAOYSA-N	322.474	3.324	10	20	DGCD	
CC[C@H](C)OCC(=O)N(C)Cc1ccc(N(CC)CC)cc1	751569501	TVZFJOSHSWVZEK-HNNXBMFYSA-N	306.450	3.306	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cnc(N)s1	768357075	HHBGKGWNWSLRAY-UHFFFAOYSA-N	304.463	3.202	10	20	DGCD	
Cc1cc(O)c(CNc2nnc([C@H]3CCCO3)s2)cc1C	865296396	XEEXZYIBCNOFRW-CYBMUJFWSA-N	305.403	3.324	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C1CC1)C1CC1	875673827	UARLMUYEHLBMDB-CQSZACIVSA-N	315.461	3.328	10	20	DGCD	
C[C@@]1(NCc2ccc(N3CCC(O)CC3)cc2)CC=CCC1	877586292	ZMRMXSBRGUOADD-LJQANCHMSA-N	300.446	3.236	10	20	DGCD	
Cc1ccccc1OCCOC(=O)/C=C/c1ccc(O)c(O)c1	772777651	WUVGOPTURPLCHU-VQHVLOKHSA-N	314.337	3.042	10	20	DGCD	
C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)c1ccc(N)cc1	877081122	VEIBPNKNLVDRKE-CYBMUJFWSA-N	310.397	3.188	10	20	DGCD	
C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(Cc2cc(F)ccc2O)C1	779000409	VIIZHNZFPLBWCK-CPUCHLNUSA-N	306.425	3.369	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NOC2CCCC2)cc1	774683136	LRHKPEZXMVCWID-UHFFFAOYSA-N	305.422	3.206	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccsc2[nH]1	773749524	ALARYRKPVSWMMP-VIFPVBQESA-N	316.382	3.002	10	20	DGCD	
C[C@@H](Nc1cc(C2CC2)ncn1)c1ccc(N2CCOCC2)cc1	881848424	WTKHDUPRTDVFIO-CQSZACIVSA-N	324.428	3.364	10	20	DGCD	
COc1ccc(CN[C@H]2CCc3ccc(C)cc32)c(O)c1OC	892920777	KMOAMQFWMNMXQE-INIZCTEOSA-N	313.397	3.495	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1c[nH]nc1C1CC1	789748233	OHNAMEVXKWWGOI-UHFFFAOYSA-N	324.428	3.207	10	20	DGCD	
CCCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1	891254604	ZMVFIFDIEGIEJL-KRWDZBQOSA-N	317.477	3.052	10	20	DGCD	
CC[C@H](N[C@H](COC)[C@H]1CCCO1)c1cc(Cl)ccc1O	788618449	FWVJJAQTEDPKMD-SQWLQELKSA-N	313.825	3.280	10	20	DGCD	
COc1cc(C)cc(CNc2cccc(C[S@@](C)=O)c2)c1O	894130130	AESCCFVUGWAPNX-JOCHJYFZSA-N	319.426	3.200	10	20	DGCD	
COC(=O)[C@@]1(C)CCCN(Cc2ccc(N3CCCC3)cc2)C1	1204323005	YUWAJDYKVFIPNC-IBGZPJMESA-N	316.445	3.062	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cn(C)nc2C2CC2)cc1	892614610	LASTYXLTBOBHBV-UHFFFAOYSA-N	312.461	3.434	10	20	DGCD	
CCC[C@H](O)CNCc1ccc2c(c1)CCN2Cc1ccccc1	796303097	GGEDQOWQFUUQJY-FQEVSTJZSA-N	324.468	3.500	10	20	DGCD	
CC[C@@H](C)CCC(=O)NCCNCc1ccc(OC)c(C)c1	1135612481	YQHMUCNERYOMQX-CQSZACIVSA-N	306.450	3.036	10	20	DGCD	
CSCCCN(C)Cc1cc(Br)ccc1O	798965345	ZRQBJDNCXDOCGE-UHFFFAOYSA-N	304.253	3.340	10	20	DGCD	
CCC[C@H](CC)C(=O)NCCNCc1ccc(OC)c(C)c1	1135883889	FQUZBXHDDVSHAU-INIZCTEOSA-N	306.450	3.036	10	20	DGCD	
CC[C@H](N[C@H](CO)CCOC)c1ccc(Cl)c(Cl)c1O	798940880	OKAKTJJJZUMNOT-CABZTGNLSA-N	322.232	3.137	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@]2(C)CO)c(C(F)(F)F)c1	793157877	KKHWGFZJDCKADP-HNNXBMFYSA-N	316.367	3.118	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3cc(C)ccc3o2)c(O)c1	794369151	CTQTXTWLPAQMSR-UHFFFAOYSA-N	311.337	3.385	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(F)(F)F)n[nH]2)cc1F	799735114	UQGVKCIGQJMCKI-UHFFFAOYSA-N	303.259	3.213	10	20	DGCD	
C[C@H](CN[C@H](C)c1ccc(N(C)C)cc1)CC1(C)OCCO1	715951584	DYKRTXZCZBCPIQ-LSDHHAIUSA-N	306.450	3.192	10	20	DGCD	
Nc1ccc(CNC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1	1335737258	NRBZRQMQEDJODX-CQSZACIVSA-N	313.376	3.107	10	20	DGCD	
Brc1c[nH]nc1NCc1ccc(N2CCCC2)cc1	1336069041	WBTWVWRJCSKXFA-UHFFFAOYSA-N	321.222	3.385	10	20	DGCD	
CNCCc1ccccc1C(=O)N(C)c1ccc(C)cc1F	1578715953	KOESTARFAZVJLG-UHFFFAOYSA-N	300.377	3.173	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](c2cnn[nH]2)C(C)(C)C)cc1Cl	1577348051	KNLJYUAEVOAQBB-AWEZNQCLSA-N	308.813	3.349	10	20	DGCD	
Nc1ccc(NC(=O)c2ccc(Br)cc2F)cc1	19428811	KYPJDNBAHLSHRT-UHFFFAOYSA-N	309.138	3.423	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)Nc2ccc(OC)cc2)cc1	150732612	IUXNXEGPMQQSSG-UHFFFAOYSA-N	314.385	3.169	10	20	DGCD	
CCSCc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1	158973258	HQFNFQAVVPFOLU-UHFFFAOYSA-N	317.410	3.281	10	20	DGCD	
COc1cc(O)c(CN(C)[C@H]2C[C@](C)(OC)C2(C)C)cc1OC	160325899	QKRDIAWZZUZURB-WMZOPIPTSA-N	323.433	3.045	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)Cc2cc(C)cc(OC)c2O)C12CCC2	164512448	CQSSEINRYDDPJN-IAGOWNOFSA-N	319.445	3.489	10	20	DGCD	
Cc1ccc(O)c(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1	179473011	ORTCBLABWQXAEE-OAHLLOKOSA-N	320.433	3.142	10	20	DGCD	
CCCCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	183703117	TVIABJPXOBBKLK-UHFFFAOYSA-N	322.449	3.025	10	20	DGCD	
CCC[C@@H](O)CN[C@@H](C)c1cc(Br)cc(C)c1O	187197557	JBVKTNRTXPPONZ-CMPLNLGQSA-N	316.239	3.275	10	20	DGCD	
Cc1cnc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)s1	122839634	AKVBTZXUSLLNIN-AWEZNQCLSA-N	317.458	3.139	10	20	DGCD	
C[C@H](N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1O	183527591	MDGMQPHCMHGIEY-WFASDCNBSA-N	320.433	3.346	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CSC	77626126	KXPGZJZJVIHTGG-ZDUSSCGKSA-N	309.479	3.036	10	20	DGCD	
CC(C)(C)c1ccccc1C(=O)NCCc1ccc(O)c(O)c1	122801705	AIKWFPJESDTCPB-UHFFFAOYSA-N	313.397	3.368	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)c(O)c1	185184393	ZLBQVIREFXGLIN-LSDHHAIUSA-N	312.413	3.056	10	20	DGCD	
CCc1cc(C(=O)N(C)Cc2ccccc2O)cc(Cl)n1	228098839	GDQHMIPXUXZABP-UHFFFAOYSA-N	304.777	3.275	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(F)cc1F	87024000	GNLHSJHWSNDDPI-UHFFFAOYSA-N	318.367	3.232	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCCOc1ccccc1F	80357037	CNEBFFNIEPWICC-UHFFFAOYSA-N	317.360	3.349	10	20	DGCD	
Cc1c(Cl)cccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	194848459	XEWFSUNTEYJGBY-JTQLQIEISA-N	319.788	3.421	10	20	DGCD	
C[C@@H](CCCNC(=O)OC(C)(C)C)NCc1ccccc1O	289969047	XGLRUNBHYQIFHB-ZDUSSCGKSA-N	308.422	3.175	10	20	DGCD	
C[C@H]1[C@H](C2CC2)[C@@H]1C(=O)NCc1cccc(Br)c1O	529170897	MAPQNCOENCBMRG-ZEGGKSINSA-N	324.218	3.063	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]3CCC[C@@H]32)c1O	278240748	NUADWDQMXDEXNV-YPMHNXCESA-N	306.362	3.074	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cn3ccc(C)cc3n2)c1	273621841	ZISATVHTDMMFSZ-CYBMUJFWSA-N	311.385	3.208	10	20	DGCD	
CC[C@@H]1C[C@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1	272578588	KTNPHWOBRRIQMM-SJLPKXTDSA-N	318.461	3.306	10	20	DGCD	
Cc1nn(C(C)C)cc1CNCc1ccc2c(c1)CCCN2C	281498364	WNCXQKIXBCSJDZ-UHFFFAOYSA-N	312.461	3.445	10	20	DGCD	
CC[C@H](NCCCOCCOC)c1cccc(Cl)c1O	287876340	YELRQNQDUIMJRS-AWEZNQCLSA-N	301.814	3.139	10	20	DGCD	
CCOC1CC2(CCN(Cc3ccc(N(C)C)c(F)c3)C2)C1	289789232	RXFVSTAUTFIJBX-UHFFFAOYSA-N	306.425	3.283	10	20	DGCD	
CCCCN(CC(=O)N1CCC(C)CC1)Cc1ccccc1O	801596066	NQHPEAXUKCEQIE-UHFFFAOYSA-N	318.461	3.253	10	20	DGCD	
O=c1ccccn1C[C@@H](NCc1ccccc1O)c1ccccc1	800313233	IYNJFINSBGZLPB-GOSISDBHSA-N	320.392	3.085	10	20	DGCD	
COc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1F	800722360	PERBHOKEDAJMEH-XFFZJAGNSA-N	309.387	3.198	10	20	DGCD	
CCCc1nc(C)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)o1	293903841	ZTOCKMFCYBBPPJ-JTQLQIEISA-N	319.361	3.400	10	20	DGCD	
Oc1c(CNC[C@@H]2CSCCS2)ccc2ccccc12	816556813	UVIGFWCOXDDNDN-CQSZACIVSA-N	305.468	3.484	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)CC3CCCC3)C2)cc1	819578483	NBMALTXXBIHNNN-INIZCTEOSA-N	316.445	3.218	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)c3ccco3)C2)cc1	818344639	PMWYQEMDVSGDOX-HUUCEWRRSA-N	300.402	3.465	10	20	DGCD	
Cc1cc(CN[C@H](CCO)c2cccs2)ccc1N(C)C	815088110	AVILJYFVYHSFSC-OAHLLOKOSA-N	304.459	3.336	10	20	DGCD	
COc1cc(O)c(CNc2cc3c(cn2)CCCC3)cc1OC	812781905	JTZUJBOCCIEPLM-UHFFFAOYSA-N	314.385	3.295	10	20	DGCD	
CC[C@@H](NC[C@@H]1C[C@H](F)CN1)c1cc(Cl)cc(Cl)c1O	817976358	KOXWFRUSXMMIMK-OUJBWJOFSA-N	321.223	3.440	10	20	DGCD	
Cc1cc(CCNC(=O)[C@H]2CC2(F)F)c(C)n1-c1ccccc1	822274063	NRGNFRRJNCBTCT-MRXNPFEDSA-N	318.367	3.408	10	20	DGCD	
COc1ccc(N(C)C[C@@H](Cc2ccccc2)OC)cc1OC	827492089	ULAWQAUWOHGWQG-QGZVFWFLSA-N	315.413	3.398	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(CN)(c3ccccc3)CC2)c1	904459551	UZDPPABGLUUYAS-UHFFFAOYSA-N	310.441	3.193	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837606365	URGAWBYYUXJROU-NUEKZKHPSA-N	315.413	3.136	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@H](C(=O)O)C2)cc1F	843303651	CUARJOFHXIHCTF-LSDHHAIUSA-N	322.424	3.405	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1nccs1	840488790	ORYACSSZKNHCMZ-LBPRGKRZSA-N	318.446	3.270	10	20	DGCD	
O=C(OCCC1CC1)c1cccc2c1C(=O)c1ccccc1C2=O	744473254	BNEWMQLLBVTOGN-UHFFFAOYSA-N	320.344	3.419	10	20	DGCD	
C[C@H](COCC(=O)N(C)Cc1ccccc1O)c1ccccc1	845792441	WCHKIHQCMKRJTO-OAHLLOKOSA-N	313.397	3.171	10	20	DGCD	
Cc1nc(C)c(C(=O)NCc2ccc(N3CCCCC3)cc2)o1	746172513	LRTQWUCADALUSM-UHFFFAOYSA-N	313.401	3.212	10	20	DGCD	
C[C@@H](NS(=O)(=O)CCCc1ccccc1)c1ccccc1O	919117901	HLIWFWMDHKZKQX-CQSZACIVSA-N	319.426	3.005	10	20	DGCD	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc(O)cs1	746893573	CMEHRMHHLJHYCC-LADRHHBVSA-N	323.439	3.024	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC(C)(C)OC[C@@H]2C)c1O	753834269	PEKHYLDFEDGGJE-JTQLQIEISA-N	311.809	3.248	10	20	DGCD	
CN(C[C@@H]1CC1(C)C)C(=O)NCc1ccc(N2CCCC2)cc1	851988314	XIZXXOZRIBWKMC-INIZCTEOSA-N	315.461	3.474	10	20	DGCD	
C[C@H](N[C@@H](CO)[C@H](C)c1ccccc1)c1cc(F)ccc1O	756712040	PDXRXTFFAZHRRL-IGCXYCKISA-N	303.377	3.347	10	20	DGCD	
CNC[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	852921825	RTGIWSANDZQHKP-LLVKDONJSA-N	319.836	3.085	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1c2ccccc2O[C@@H]1C)c1ccccc1O	868617237	ABRYQBFRDBEBNI-PSTGCABASA-N	312.369	3.275	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@@H]3CCC(=O)C3)c2C)c1	863160150	SHPPAQLXAKIROT-MRXNPFEDSA-N	324.424	3.388	10	20	DGCD	
CC(C)(C)OC(=O)[C@H]1CCCN1Cc1cc(Cl)ccc1O	769498731	PHMRGRIYPBNINL-CYBMUJFWSA-N	311.809	3.352	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@]1(C)CC1(Cl)Cl)c1ccccc1O	868669532	YYRBSDZKAIHXLO-NOZJJQNGSA-N	317.216	3.336	10	20	DGCD	
COc1cc(NS(=O)(=O)CCC2CCCCC2)ccc1O	872371364	LSRIAFCUFKFMJY-UHFFFAOYSA-N	313.419	3.113	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ccc(Cl)nn1	877591753	HWGUYRNQCYIEFY-CYBMUJFWSA-N	318.852	3.225	10	20	DGCD	
CC(C)[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1	779511795	LHHPXHNPPCAYBI-MJYKILKPSA-N	303.402	3.442	10	20	DGCD	
COc1ncc(/C=C\C(=O)N2CCC[C@H](C)c3ccccc32)cn1	775898443	WRKCHLNNWXYAFL-CMUBDUJZSA-N	323.396	3.429	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1COc2ccccc21)c1ccc(N(C)C)cc1	773015006	MXQYWGGQNLKQLO-CXAGYDPISA-N	310.397	3.106	10	20	DGCD	
CCOc1cccc(CN(C)c2ccc(OC)c(OC)c2)n1	784138853	STMYRBZQLSCETH-UHFFFAOYSA-N	302.374	3.134	10	20	DGCD	
C[C@@H](NCCN(C)C(=O)OC(C)(C)C)c1c(O)cccc1F	886521147	VTUAAJVBBIKOSP-LLVKDONJSA-N	312.385	3.049	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2CCOc3c(F)cccc32)c1O	894531809	DNWWKHMAROKJEW-HNNXBMFYSA-N	317.360	3.462	10	20	DGCD	
CSCCONC(=O)c1cc(C)n(-c2ccccc2C)c1C	794196453	XLVLMFLNPXAYHH-UHFFFAOYSA-N	318.442	3.427	10	20	DGCD	
OC[C@H](NCc1c(O)ccc(Cl)c1F)c1cccc(F)c1	790966353	MAYXATSVLADYLR-ZDUSSCGKSA-N	313.731	3.147	10	20	DGCD	
CC[C@@]1(C)COCCN1Cc1cc(Br)ccc1O	687976985	WMRXMMDVTMCLJA-AWEZNQCLSA-N	314.223	3.156	10	20	DGCD	
CN(CCCN1CCCC1)Cc1c(O)ccc(Cl)c1F	798958247	RAHJAVKCTNRVDP-UHFFFAOYSA-N	300.805	3.102	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c(O)c1	792962086	XEHJRXSFZAEIQM-CVEARBPZSA-N	318.417	3.169	10	20	DGCD	
CCC[C@@H](C)c1cc(NC(=O)c2c(F)ccc(O)c2O)n[nH]1	790071253	SBGJCHMMKYZQEZ-MRVPVSSYSA-N	307.325	3.116	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cc(F)cc(F)c2)c(O)c1	794760252	LHNLKBOCGIASPX-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
C[C@@H](c1ccccc1)n1ccc(NC(=O)c2cccc(O)c2O)n1	790882963	TZRBGRVHPPSDTB-LBPRGKRZSA-N	323.352	3.156	10	20	DGCD	
COc1ccc(CNCCCNC(=O)C[C@@H](C)C2CC2)cc1C	1177053526	JRAVTMUCUZSQMI-CQSZACIVSA-N	318.461	3.036	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC(CC1)CC2	1337166915	PBTASCPKKTXJNV-WHENESEISA-N	303.402	3.115	10	20	DGCD	
C[C@H](NC(=O)N[C@H]1CCC[C@@H](F)C1)c1ccc(N(C)C)cc1	1332095097	YOPYUIMBIGBENM-CFVMTHIKSA-N	307.413	3.394	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)ncn2C)c1cc(C(=O)O)ccc1O	1609786514	OKDDRDOHKOBITQ-JTQLQIEISA-N	311.341	3.150	10	20	DGCD	
O=C(O)c1coc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)c1	1608985608	JUMYLGKZZHNBFD-UHFFFAOYSA-N	321.292	3.486	10	20	DGCD	
CC(C)c1nnc(CSc2ncc(C(=O)O)s2)s1	1592061092	KKYJTYFIJYRUJT-UHFFFAOYSA-N	301.418	3.109	10	20	DGCD	
O=C(O)[C@@H]1C[C@@H](NCc2ccc3c(c2)CCCO3)c2ccccc21	1594903413	UJSDNGIRLJVTSE-QZTJIDSGSA-N	323.392	3.414	10	20	DGCD	
Cc1ccncc1CNCc1cccc(Br)c1O	162668340	LAHOKZPGPKGHCP-UHFFFAOYSA-N	307.191	3.148	10	20	DGCD	
CC(C)[C@@H](CO)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1	162736514	CQNYHCPVFFHWDI-RHSMWYFYSA-N	308.441	3.484	10	20	DGCD	
CCSCCCNCc1cccc(Br)c1O	300851721	LYKDKBFZYOJJSP-UHFFFAOYSA-N	304.253	3.388	10	20	DGCD	
C[C@H](O)C[C@@H]1CCCN1Cc1cc(C(C)(C)C)cc(O)c1O	305251155	KEMMOOLRUYONFP-WFASDCNBSA-N	307.434	3.131	10	20	DGCD	
COCCCCC(=O)N(Cc1ccco1)Cc1ccccc1O	173669599	UKYFYGZMMZAFIQ-UHFFFAOYSA-N	317.385	3.331	10	20	DGCD	
COc1cccc(CNc2ccc(Br)c(C)n2)c1O	302102308	VOCPWTDMFOFULR-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
Cc1nc(CCCC(=O)N(C)Cc2ccccc2O)cs1	176136515	ASILBIHIPOKBOB-UHFFFAOYSA-N	304.415	3.138	10	20	DGCD	
CCCCNC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2O)C1	179936140	XHYOMWAHOKDSJL-AWEZNQCLSA-N	324.852	3.174	10	20	DGCD	
CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)c(F)c1O	187754890	DDANUTCSZLZXBW-CABZTGNLSA-N	322.359	3.010	10	20	DGCD	
C[C@@H](CO[C@H]1CCOC1)N[C@@H](C)c1ccc2ccccc2c1O	185673494	UJURBEHJQQPTDF-DZKIICNBSA-N	315.413	3.390	10	20	DGCD	
CC[C@H]1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1	183525932	WMRRANQEUAMGKC-AEFFLSMTSA-N	316.445	3.108	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCCCC[C@H]1c1ccco1	187156128	FDPSPRNHHUOJSM-ZDUSSCGKSA-N	301.342	3.448	10	20	DGCD	
COc1cccc2c1OC[C@@H](N[C@H](C)c1cc(F)ccc1O)C2	185334953	LRPKKCKUJSHTPG-RISCZKNCSA-N	317.360	3.194	10	20	DGCD	
CO[C@H](Cc1ccc(F)cc1)CN(C)Cc1ccccc1O	528420341	UQMNDRLJPVNTLF-QGZVFWFLSA-N	303.377	3.221	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cn1	265430197	FOXRXLDMZVVVSL-UHFFFAOYSA-N	315.804	3.265	10	20	DGCD	
CO[C@@H](C)CCN[C@H](C)c1cc(Br)ccc1O	273565212	JEAJMEPZSARLPV-VHSXEESVSA-N	302.212	3.230	10	20	DGCD	
CC1(C)CC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	286566599	ITBGYKYFPSFCCK-MRXNPFEDSA-N	301.434	3.275	10	20	DGCD	
CC[C@@H](NCc1ccc(C)n(C)c1=O)c1cccc(Cl)c1O	287069637	NYXXMBCSKDPXGS-OAHLLOKOSA-N	320.820	3.294	10	20	DGCD	
COc1ncc(CN[C@H](C)c2ccc(F)cc2O)cc1Cl	295843757	ARSKDJZBQGHVHX-SECBINFHSA-N	310.756	3.439	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)CN(C)C)c2C)c1	805424200	RNGKXIZVKVTHJJ-AWEZNQCLSA-N	313.445	3.082	10	20	DGCD	
CN(Cc1ccccc1O)c1cccc(C(=O)OC(C)(C)C)n1	293152907	UAQZGMBXPYWMIT-UHFFFAOYSA-N	314.385	3.379	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC1(C)C	807575647	QTOKPBGYVXBLTB-INIZCTEOSA-N	303.450	3.473	10	20	DGCD	
CC(C)OC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1O	816516933	XKXMDUBAXGZVIW-ZDUSSCGKSA-N	301.386	3.317	10	20	DGCD	
Cc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccn1C(C)C	816028792	OJXDDYKVDNFGDJ-GFCCVEGCSA-N	316.401	3.150	10	20	DGCD	
CC[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1O	817942302	NZNYXLPMOJJQBB-MSOLQXFVSA-N	313.445	3.199	10	20	DGCD	
CC[C@@H](NCC1(N)CCC1)c1ccc(C(F)(F)F)cc1O	817964603	FOVBLDOXZXQNCL-GFCCVEGCSA-N	302.340	3.333	10	20	DGCD	
CCOC1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	819279834	QAMSHLJNXIOWSF-UHFFFAOYSA-N	316.376	3.094	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN1)c1ccc(N2CCCCC2)c(F)c1	817952803	SUHLOQFKPPKBLB-ZBFHGGJFSA-N	305.441	3.219	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC2CC(c3ccccc3)C2)cc1	728302723	RTYMTIDMFXDTHC-UHFFFAOYSA-N	323.440	3.498	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CSc2ccccc2)c1	728980986	RKTZRKAJIQTRDY-GFCCVEGCSA-N	317.410	3.370	10	20	DGCD	
CCOc1ccc(CNCc2ccc(OC)cc2O)c(C)c1	825752757	ITBVPEJWIDVRRQ-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](c3ccnn3C)C2)cc1Cl	824600986	FKGNPOCGLHAGAB-CYBMUJFWSA-N	319.836	3.467	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H](C)c2ccccc2O)CCO1	827941745	XNUSRGLPZITQHY-KEYYUXOJSA-N	305.418	3.411	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@](C)(C(=O)O)C2)cc1F	901701645	USHOJKAWUMLAGD-GOSISDBHSA-N	322.424	3.359	10	20	DGCD	
CCc1csc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)n1	910729126	IZUJXDMLGOHQKW-ONRRBMGISA-N	318.398	3.007	10	20	DGCD	
N[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1c1ccccc1F	841102975	BBMVDOJFTZAENP-GOEBONIOSA-N	320.795	3.111	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1O	846157460	CDYYBCPZSQXPJQ-AADNMHCOSA-N	303.402	3.009	10	20	DGCD	
C[C@H](N[C@@H]1CNCC[C@@H]1c1cccc(F)c1)c1ccccc1O	854222312	FBYSKQVRFVXICI-MORSLUCNSA-N	314.404	3.328	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1onc(C)c1[N+](=O)[O-]	851884403	QBCUAKDTJUJRPQ-UHFFFAOYSA-N	317.345	3.243	10	20	DGCD	
C[C@@H](NCCO[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1O	927079544	FXMKIFOYCWZAFT-NXEZZACHSA-N	320.216	3.155	10	20	DGCD	
CCN(Cc1ccccc1CC(=O)OC)c1ccc(OC)cc1	752008371	UIXPUQLEPCENGE-UHFFFAOYSA-N	313.397	3.437	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC(c3ccccc3)C2)cc1	866037228	RABKUNKRNAIRGP-UHFFFAOYSA-N	309.413	3.062	10	20	DGCD	
COc1ccccc1C1(CNC(=O)c2cc(O)cs2)CCC1	760451137	XLLXSZNYQNKDCF-UHFFFAOYSA-N	317.410	3.314	10	20	DGCD	
CC[C@H](NCc1ccc(N(CC)CC)cc1)[C@@H](O)C(F)(F)F	765786729	IDPKFSURMDOLFS-LSDHHAIUSA-N	318.383	3.324	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC[C@@H]2CCCCO2)c1	760905150	JLDBPUYBUZAUDC-ZFWWWQNUSA-N	321.417	3.179	10	20	DGCD	
COc1ccc(CNC(=S)Nc2ccc(Cl)cc2)nc1	766512568	MXDWDZSCNQKOAN-UHFFFAOYSA-N	307.806	3.230	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc2ccccn2c1	769563258	ZLESHFKKYVVCFQ-UHFFFAOYSA-N	320.392	3.454	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C=C(CC)CC)CC2)cc1	1116421776	WEKRMYBBDNKQTI-UHFFFAOYSA-N	316.445	3.480	10	20	DGCD	
CC[C@H](NC1(COC)CC1)c1cc(Br)ccc1O	775541065	UHQINZXQZKTLLQ-LBPRGKRZSA-N	314.223	3.374	10	20	DGCD	
Oc1cccc(Cl)c1CNc1ccn(Cc2ccncc2)n1	776249500	ZZIJMNGJHDPSSY-UHFFFAOYSA-N	314.776	3.298	10	20	DGCD	
Oc1ccccc1CN1CCN(Cc2cccc(Cl)c2)CC1	770509546	OAVYSXNYXBPWJJ-UHFFFAOYSA-N	316.832	3.363	10	20	DGCD	
CC[C@@](C)(CCO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	778433216	JJYBXYWZSGXPAC-IBGZPJMESA-N	314.429	3.375	10	20	DGCD	
C[C@@H](NCC(=O)N(C)[C@H](C)c1ccccc1)c1ccccc1O	879648031	WHHKOAACEFWGJB-HUUCEWRRSA-N	312.413	3.262	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCCC2)cc1)[C@@H](O)C(F)(F)F	1116425121	TYNGBRSIEAQIFB-LSDHHAIUSA-N	316.367	3.078	10	20	DGCD	
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(O)cs1	771417364	HWDMHZFXUASBNA-YMTOWFKASA-N	309.362	3.099	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1N(C)C	776163400	AOEHKTQNGPCXEB-UHOSZYNNSA-N	314.473	3.498	10	20	DGCD	
CN1CCN(c2ccc(CN[C@H]3CCc4ccccc43)cc2)CC1	883288759	QAIHHVZLAPKLEB-NRFANRHFSA-N	321.468	3.216	10	20	DGCD	
Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(Cl)c1	784954958	AXHZOAPBOLBDKT-UHFFFAOYSA-N	320.728	3.099	10	20	DGCD	
COc1cccc(O)c1CN[C@@H]1CCOc2ccc(F)cc21	780574521	NFKYPWIRSZVTDX-CQSZACIVSA-N	303.333	3.153	10	20	DGCD	
COc1ccc(CN[C@@H](C)Cc2ccccc2C)c(O)c1OC	892623116	WEELPCGVZPSPBS-AWEZNQCLSA-N	315.413	3.439	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2cccc(F)c12	782043018	WAMZANZUJJVQMT-SNVBAGLBSA-N	313.332	3.223	10	20	DGCD	
C[C@H]1CC[C@H](CCC(=O)Nc2c(Cl)ccc3nonc23)O1	1327168114	XWBPZWUOKYRDAV-DTWKUNHWSA-N	309.753	3.162	10	20	DGCD	
CC[C@H](c1ccncc1)N(C)Cc1ccc(OC)c(OC)c1O	1333763493	FBKZFZBLVWXWTR-OAHLLOKOSA-N	316.401	3.388	10	20	DGCD	
CC(C)(CCNC(=O)NCc1ccc(N)cc1)c1ccccc1	1346223817	ACJPQVBIAVCBCK-UHFFFAOYSA-N	311.429	3.436	10	20	DGCD	
Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1600808648	WTFRGMPSDHZFEH-IUCAKERBSA-N	304.346	3.107	10	20	DGCD	
Oc1ccc(CCNCc2cc(Br)ccc2O)cc1	227440833	XCXUMTOWICQVQV-UHFFFAOYSA-N	322.202	3.193	10	20	DGCD	
C[C@H](NCc1ccc(C(=O)O)cc1)c1cc(F)cc(F)c1O	1589128176	AYIOKWZAGQCFLS-VIFPVBQESA-N	307.296	3.219	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](C(=O)O)C3CCCC3)ccc21	1776875138	IOXHBAXRKGCSKP-GOSISDBHSA-N	316.445	3.192	10	20	DGCD	
Cc1ncsc1CN(Cc1ccccc1O)C[C@H]1CCCO1	160201675	AKAIBKJJJYGGQY-OAHLLOKOSA-N	318.442	3.338	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2CCN(C)c3ccc(F)cc32)s1	174727413	HAVAUWASSNMWGC-GQCTYLIASA-N	317.389	3.087	10	20	DGCD	
COc1ccc(COCCN[C@@H](C)c2ccccc2O)cc1	179879689	PYFWMVNFRIRTGW-AWEZNQCLSA-N	301.386	3.268	10	20	DGCD	
CC(C)(C)c1n[nH]cc1/C=C1/SC(N2CCCCC2)=NC1=O	60529269	MOKQCCPQJCWYTI-FMIVXFBMSA-N	318.446	3.163	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccoc1	119457749	HTUFNILBMDOQSQ-UHFFFAOYSA-N	312.413	3.471	10	20	DGCD	
CCOCc1cc(CNCC2(O)CCCCC2)ccc1OC	171052217	QBIZTYXEHWCCSR-UHFFFAOYSA-N	307.434	3.017	10	20	DGCD	
CCN(Cc1cnn(C)c1)Cc1cc(Cl)cc(C(C)=O)c1O	177094226	BEDJFSPLQHZLOX-UHFFFAOYSA-N	321.808	3.004	10	20	DGCD	
C[C@@H](NCC1CCOCC1)c1ccc(Br)cc1O	185261539	ZOKDUBZSYGSZPC-SNVBAGLBSA-N	314.223	3.232	10	20	DGCD	
O=C(c1cccc(O)c1O)N(Cc1ccco1)Cc1ccco1	188149001	DRHNPTPFKFBEAM-UHFFFAOYSA-N	313.309	3.126	10	20	DGCD	
C[C@H](NCCn1cccn1)c1ccc(N2CCCCC2)c(F)c1	180432026	SIINEVTZMZCAPE-HNNXBMFYSA-N	316.424	3.363	10	20	DGCD	
Nc1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1	37025723	LYVZPMZMFSBMOH-UHFFFAOYSA-N	309.138	3.423	10	20	DGCD	
COc1cc(O)c(CNc2cnn([C@@H](C)C3CC3)c2)cc1OC	189747927	ISTNCCOAMWXSKI-NSHDSACASA-N	317.389	3.189	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N(C)c1ccc([N+](=O)[O-])cc1	186025628	NXNFKDKIRAKAGP-BQYQJAHWSA-N	303.343	3.036	10	20	DGCD	
COCc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1	195462297	ZFMCVFRLVOIMMZ-UHFFFAOYSA-N	312.413	3.282	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@H]1CCN(CC(F)(F)F)C1	83551965	NKHBTUWEILBUOP-SNVBAGLBSA-N	322.758	3.019	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC(C(C)C)C(C)C)c1	193843122	PHOAPUCAGNBIKO-UHFFFAOYSA-N	308.422	3.128	10	20	DGCD	
CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(C)ccc2O)C1	92731431	BEQKUQAFSSETGC-CVEARBPZSA-N	318.461	3.217	10	20	DGCD	
COCc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c1	273540922	YHLYNGOXCIYOPI-LBPRGKRZSA-N	315.369	3.498	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CC(=O)O)c2ccsc2)cc1	276978922	HZSLHGYWKZOYQG-HNNXBMFYSA-N	304.415	3.120	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2sccc2C)c1	273370900	GBPAISNUSVBLRO-NSHDSACASA-N	305.399	3.400	10	20	DGCD	
C[C@H](NC[C@H]1CCCCO1)c1cc(Br)ccc1O	273299352	AYIBWQMUCMQIKO-CMPLNLGQSA-N	314.223	3.374	10	20	DGCD	
COc1cccc(CN2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)c1O	284430454	RWYCBWDTIJBEHR-TZMCWYRMSA-N	316.228	3.417	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(O)nc1C	282414273	GDNOFAIWCLKTEJ-UHFFFAOYSA-N	314.385	3.244	10	20	DGCD	
OC1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1	377617705	AWARVHXUEZZTBF-UHFFFAOYSA-N	322.452	3.206	10	20	DGCD	
C[C@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1	297181476	DYGCEBBZRRZVEU-IFXJQAMLSA-N	316.420	3.146	10	20	DGCD	
Cc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)c(O)c1O	805258451	HOCBKEDZWDOULP-UHFFFAOYSA-N	311.696	3.157	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCc3ccccc3OC2)c(O)c1	800890141	HHDIISLWVMFNIM-MRXNPFEDSA-N	313.397	3.274	10	20	DGCD	
COc1ccc(CN(C)Cc2ccccc2O)c(C)c1OC	809548774	JEKSUEDWVSPEET-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
Oc1cccc2c1[C@H](NCCN1CCc3sccc3C1)CC2	296110898	USTXZCABRBCOML-OAHLLOKOSA-N	314.454	3.089	10	20	DGCD	
COc1ccc(CCCC(=O)Nc2ccc(N)cc2)c(OC)c1	818556209	AUESPBHZEUEGKN-UHFFFAOYSA-N	314.385	3.247	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C(F)F	817224690	WBOKAFWFMBTLNR-GQSKFBFOSA-N	319.307	3.234	10	20	DGCD	
CCC[C@@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	822653135	ZKASFZNCAJMSCC-QGZVFWFLSA-N	306.450	3.305	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(N3CCSCC3)cc2)C[C@@H](C)O1	823671700	SSMFALITTLYYAI-SCAQPMJSSA-N	320.502	3.285	10	20	DGCD	
CS[C@H](C)COC(=O)c1cc(C)n(-c2ccccn2)c1C	835678487	TUYQYXMWZCTRFK-GFCCVEGCSA-N	304.415	3.397	10	20	DGCD	
Nc1ccc(CC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	831133200	SSSNOMDGOBHQKT-STQMWFEESA-N	314.351	3.296	10	20	DGCD	
C[C@@H]1CCCN(C(C)(C)CNCc2ccc(N(C)C)c(F)c2)C1	733325465	NNISTBYTQZSRRW-OAHLLOKOSA-N	321.484	3.492	10	20	DGCD	
CC(C)(C(=O)O)[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1	833420427	ROMWRYLSHMLUSA-MRXNPFEDSA-N	317.429	3.204	10	20	DGCD	
Cc1cc(Br)c(O)c(CNC[C@@H]2CC[C@@H](C)O2)c1	835086090	FBIKOAMCXAAVSR-PWSUYJOCSA-N	314.223	3.120	10	20	DGCD	
CCCCC[C@@H](C)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832274057	RKOZZOLZTMLQRA-QAPCUYQASA-N	319.493	3.475	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ccn1	839921359	JPSOSHZAHWIPTK-OAHLLOKOSA-N	311.429	3.125	10	20	DGCD	
O=C(O)C1(CNCc2ccc(N3CCCCC3)cc2)CCC1	841812710	YRLUOVUEMIDOCO-UHFFFAOYSA-N	302.418	3.021	10	20	DGCD	
COc1ccc2c(c1)[C@H](C(=O)NCCc1ccc(N)cc1)CCC2	848395860	XEFZWGXLYNLZRJ-GOSISDBHSA-N	324.424	3.056	10	20	DGCD	
CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)cs2)C12CCCCC2	748339398	NKVDHRUSEKSYFL-ZIAGYGMSSA-N	309.431	3.311	10	20	DGCD	
CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1	840889852	IUXAXALYSRXJPA-JKSUJKDBSA-N	317.477	3.241	10	20	DGCD	
CC(C)(C)C1=CCN(C(=O)NCCc2ccc(N)cc2)CC1	841960818	XOHJPMLYEFFPPN-UHFFFAOYSA-N	301.434	3.199	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cc(C(C)=O)no1	846839823	GGDHHTBMAULHHX-UHFFFAOYSA-N	300.358	3.229	10	20	DGCD	
Cn1ccnc1[C@@H]1N(Cc2c(O)ccc3ccncc23)CC1(C)C	840110654	SFNIIKAPOBDUEE-KRWDZBQOSA-N	322.412	3.257	10	20	DGCD	
CN(C)c1cccc(CNC(=S)Nc2ccccc2Cl)n1	754692110	LAKAKMQSCKQMIX-UHFFFAOYSA-N	320.849	3.288	10	20	DGCD	
COc1cc(CNC[C@@]2(C)CCOC2)c(O)c(C(C)(C)C)c1	850134497	AYFJMECQGVHOIT-GOSISDBHSA-N	307.434	3.215	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCc2ccc(Cl)s2)c1	858145698	BHSVKGCUXAIFBU-UHFFFAOYSA-N	324.833	3.457	10	20	DGCD	
CN(C)CCCOc1ccc(NC(=O)c2cc(O)cs2)cc1	765404393	TWGBOQPEXYKGBA-UHFFFAOYSA-N	320.414	3.037	10	20	DGCD	
CCOc1ccc(CN2CC[C@@H](CN3CCCCC3)C2)c(O)c1	769498105	GGQSIANSDCMKSL-INIZCTEOSA-N	318.461	3.099	10	20	DGCD	
CC(C)CN(Cc1cc2c(cc1O)OC[C@@H]2O)C1CCCC1	768439827	KXNJRGHLFQNXLE-KRWDZBQOSA-N	305.418	3.219	10	20	DGCD	
COc1cccc(O)c1CNCCCCC(=O)OC(C)(C)C	773426617	FMEMFAJNMWMJJD-UHFFFAOYSA-N	309.406	3.002	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCC1(O)CCCCCC1	776208861	IRXLPQOLMHNGPV-UHFFFAOYSA-N	301.789	3.360	10	20	DGCD	
CC[C@H](NCC1CCN(C(C)=O)CC1)c1cc(Cl)ccc1O	775502613	UQXPGCDIQLYMAJ-INIZCTEOSA-N	324.852	3.345	10	20	DGCD	
CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1	779517841	GJLPTTDTTSFBJB-SOFGYWHQSA-N	303.383	3.224	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCO[C@@H](C)C1	776300977	IZUPQKUSXHHOOI-RDJZCZTQSA-N	318.461	3.305	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccn(-c3ccccc3)n2)SC1=S	773153638	VUHDQBQFNASNCB-RAXLEYEMSA-N	315.423	3.093	10	20	DGCD	
COc1cncc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	880551536	GTKLRJHNIUMGAG-LBPRGKRZSA-N	314.389	3.039	10	20	DGCD	
CC[C@H](NCCCN1C[C@H](C)O[C@H](C)C1)c1ccc(C)cc1O	794789919	BAIYDMKMMUSVFF-JZXOWHBKSA-N	320.477	3.241	10	20	DGCD	
CCOC(=O)C[C@@H]1CCCN1Cc1ccc(N2CCCC2)cc1	1320765638	YBBVYWPDYJLGOH-SFHVURJKSA-N	316.445	3.204	10	20	DGCD	
CC[C@@H](C)n1nccc1C(=O)NCc1cc(Cl)ccc1O	1352324636	ACPOJCYIQAWNEZ-SNVBAGLBSA-N	307.781	3.143	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cc(C(=O)O)co1	1600236018	FQIPXDIGIUVSTH-LBPRGKRZSA-N	302.374	3.203	10	20	DGCD	
C[C@H](NCc1cc(C(=O)O)c2n1CCCC2)c1ccccc1O	1607460979	UWUQMCVKYGGERW-LBPRGKRZSA-N	314.385	3.079	10	20	DGCD	
CN(Cc1ccccc1O)[C@@H](C(=O)O)c1ccc(Cl)cc1	1598530812	TYZSHGMBVCMZRB-OAHLLOKOSA-N	305.761	3.303	10	20	DGCD	
CC[C@@H](C)[C@@H](CNCc1cc(Br)ccc1O)OC	381108877	BROLTOHIIKVSPT-QMTHXVAHSA-N	316.239	3.305	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)nc1	115279701	UKZVZTLJJVITRC-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
CSc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)o1	173190757	KMKFUEQHZWWVOE-UHFFFAOYSA-N	318.398	3.107	10	20	DGCD	
CC[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(N(C)C)cc1	127401348	WYXOKQBWMSBMQO-HRAATJIYSA-N	310.507	3.341	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@@H](c3nnc4ccccn34)C2)c1	121784903	NDWCZZZIMXZNIQ-OAHLLOKOSA-N	322.412	3.123	10	20	DGCD	
CC(C)c1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1	183470911	RHIAMTNBFQISCV-JTQLQIEISA-N	320.414	3.039	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1O	180722910	BJOJGQCRXXDLNU-UHFFFAOYSA-N	310.397	3.013	10	20	DGCD	
CC[C@H](NCC1(O)CCC1)c1cc(Br)ccc1O	127354044	UCUSKPYCAPVJPW-LBPRGKRZSA-N	314.223	3.110	10	20	DGCD	
C[C@@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O	183515742	CAGKSOVQFGEVSO-UKRRQHHQSA-N	310.397	3.128	10	20	DGCD	
CCOC1CC(CC(=O)NCc2c(O)ccc3c2CCCC3)C1	190726269	AURZKSAUYBJJJU-UHFFFAOYSA-N	317.429	3.092	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@H](C)c2ccc(F)c(F)c2O)cc1	191194159	AHRQGJOESOYABK-BMIGLBTASA-N	323.339	3.063	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccoc1Cl	192410302	HZXGRZWIQNOXOC-UHFFFAOYSA-N	304.777	3.463	10	20	DGCD	
C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2O)C1	193100881	QRRKOBZETMEZLI-IAQYHMDHSA-N	315.344	3.460	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCSc2ccncc21	255542262	PPJZBJUDVJHHDA-RQOWECAXSA-N	317.801	3.282	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)C2)cc1F	261393221	HFYVIZTUBLTDKR-CYBMUJFWSA-N	307.413	3.223	10	20	DGCD	
COc1ccc(N(Cc2noc(C)n2)Cc2ccco2)cc1F	265788819	LWBFHRRCYOJQSJ-UHFFFAOYSA-N	317.320	3.326	10	20	DGCD	
C[C@@H](N[C@H](C)c1nncn1C)c1cc(Cl)c(Cl)cc1O	278664973	IXRGPURGAWVBAL-HTQZYQBOSA-N	315.204	3.239	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N(C)CC(F)(F)F	800001594	HDFAZCKWPXQGHV-UHFFFAOYSA-N	317.355	3.189	10	20	DGCD	
CC[C@H](NC[C@@](C)(O)COC)c1cc(Cl)cc(Cl)c1O	806139054	HTWGBWWTICEVMG-GXTWGEPZSA-N	322.232	3.137	10	20	DGCD	
Cc1cccc(CNC[C@H]2CCN(c3ccccc3F)C2)c1O	291060820	PJTFVKLAVYWNPX-OAHLLOKOSA-N	314.404	3.456	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCC[C@@H]1N	296781938	LVVURSAKDYQCHH-ZBFHGGJFSA-N	304.434	3.038	10	20	DGCD	
Cc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1	299011137	VBRGHIPAMGCRBX-UHFFFAOYSA-N	323.440	3.190	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCSC(C)C	806012808	HWGSAWGRJJRGOR-UHFFFAOYSA-N	309.479	3.002	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCCOCC(C)C)sc2n1	800117780	LXKKBSIPRINYSR-UHFFFAOYSA-N	322.430	3.325	10	20	DGCD	
COc1cccc(CN2C[C@H]3CCCN3Cc3ccccc32)c1O	811508174	DKHSBUOVDYKPMT-QGZVFWFLSA-N	324.424	3.385	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](O)Cc2cccc(Cl)c2)cc1	818941791	RNAGDKQVYYJLGK-SFHVURJKSA-N	318.848	3.099	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC[C@@H]3CNC[C@@H]3C2)c1O	817985695	GYHNMPYSLSBXPV-SFDCQRBFSA-N	308.853	3.393	10	20	DGCD	
C[C@@H]1[C@@H](N2CCCC2)CCN1Cc1cc(Cl)c(F)cc1O	816609525	FDWHDAQCYHNREI-ABAIWWIYSA-N	312.816	3.243	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1O	827922901	CRQCQGXOJJTFDO-GFCCVEGCSA-N	324.380	3.232	10	20	DGCD	
C[C@H]1C[C@H]1c1ccc(CNCc2cc([N+](=O)[O-])ccc2O)o1	725847308	ZQHVJGXOARJMGG-IINYFYTJSA-N	302.330	3.307	10	20	DGCD	
CCn1nnc(C)c1CN(c1ccc(OC)c(F)c1)C(C)C	828267811	OHICNRMNYGLFCM-UHFFFAOYSA-N	306.385	3.169	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@@H]3C)cc2)CC1	731121308	QOZWJEQVSNTMIH-HNNXBMFYSA-N	301.434	3.227	10	20	DGCD	
C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1	735518716	JYORHUILQFLXKV-WMLDXEAASA-N	317.429	3.336	10	20	DGCD	
CCOC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1	731675286	LJBCXMBNIBYGFF-SFHVURJKSA-N	311.381	3.016	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CCO)c2ccccc2F)cc1	830355046	CLJNWQJQFNHASM-SFHVURJKSA-N	302.393	3.105	10	20	DGCD	
C[C@H](CN(C)C(=O)NCCc1ccc(N)cc1)c1ccccc1	841958321	ZIBCNGQCWUNTGC-OAHLLOKOSA-N	311.429	3.256	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H]2N(C)CCCC2(C)C)c1O	846166852	DPFCMSMXYOJRAL-BBRMVZONSA-N	306.450	3.172	10	20	DGCD	
C[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CS1	840355001	VGAZPIYZHLYQEY-YRGRVCCFSA-N	307.463	3.007	10	20	DGCD	
CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(N(C)C)cc1	742442985	SCCIJXQWNWRRLA-QGZVFWFLSA-N	315.461	3.296	10	20	DGCD	
O=[N+]([O-])c1cnc(NCc2ccc(N3CCCC3)cc2)c(F)c1	840244221	RMXMTTUJAHORGR-UHFFFAOYSA-N	316.336	3.341	10	20	DGCD	
C[C@H](NC[C@H](O)COc1ccccc1)c1ccc(Cl)cc1O	841745512	ZDZOSOKRIWXNIH-JSGCOSHPSA-N	321.804	3.136	10	20	DGCD	
Cc1cnc(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)s1	841297745	UFDUNVZZKGIFBB-UHFFFAOYSA-N	316.430	3.445	10	20	DGCD	
COc1ccc(CN[C@H]2CCc3ccccc3NC2=O)cc1C	848561576	ZIMNIBGXOSDSEO-KRWDZBQOSA-N	310.397	3.047	10	20	DGCD	
COc1ccc(CN(C)C)cc1NCc1cccc2c1OCC2	921877243	XARPBJITXCDJBV-UHFFFAOYSA-N	312.413	3.304	10	20	DGCD	
C[C@H](NC[C@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1O	756455514	DDOVFEVWZVTKGB-GXTWGEPZSA-N	321.367	3.172	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H]1CCCN(CC3CC3)C1)CC2	853240603	OWJMWKLOHPFNQG-WBVHZDCISA-N	300.446	3.091	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@H](C)c2cc(F)cc(F)c2O)cc1	756381539	MSIXEYXREKCAQW-HWPZZCPQSA-N	323.339	3.063	10	20	DGCD	
Cc1noc(COc2ccc(N3CCCC3)cc2)c1[N+](=O)[O-]	853675743	YOBSFKKBZSSVSO-UHFFFAOYSA-N	303.318	3.070	10	20	DGCD	
C[C@H](NC[C@H]1CSCCS1)c1cc(F)cc(F)c1O	756640160	KEDTYSXKICRMOF-WPRPVWTQSA-N	305.415	3.170	10	20	DGCD	
C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)c1cc(F)ccc1O	756712038	PDXRXTFFAZHRRL-GDZNZVCISA-N	303.377	3.347	10	20	DGCD	
C[C@H](N[C@@H]1CCSC1)c1cc(Br)cc(F)c1O	756730865	CAVAHPSCJHHFHC-IONNQARKSA-N	320.227	3.450	10	20	DGCD	
CNc1ccc(NC(=O)NCCCSc2nccs2)cc1	859741871	MPRNXXJZRVWWIV-UHFFFAOYSA-N	322.459	3.489	10	20	DGCD	
Cn1nc(CNCc2c(O)cccc2Cl)c2ccccc21	759189611	BRTYVECLGKSHGP-UHFFFAOYSA-N	301.777	3.222	10	20	DGCD	
Cc1cc(F)ncc1C(=O)NCc1c(O)ccc2c1CCCC2	866770674	BDWOYKHRUZQHKF-UHFFFAOYSA-N	314.360	3.044	10	20	DGCD	
COc1cc(Cl)cc(CN2CCc3ccc(O)cc3C2)c1O	761191814	BVYCCCMGYFFZRJ-UHFFFAOYSA-N	319.788	3.318	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)cs1	760491789	MZVOLZJYUYDADP-MRVPVSSYSA-N	311.790	3.174	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@H]2COC3(CCCC3)O2)cc1	774467946	FYLYALPERMOXBP-QAPCUYQASA-N	318.461	3.479	10	20	DGCD	
Oc1cc2c(cc1CN1CCN(C3CC3)c3ccccc31)OCO2	779225302	OJGASZJFDLHSPV-UHFFFAOYSA-N	324.380	3.110	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)c1	775659602	YVFUUVRNJGGDNQ-UXLLHSPISA-N	318.461	3.238	10	20	DGCD	
CCOC(=O)[C@@H](CC(C)C)N[C@H](C)c1ccc(N(C)C)cc1	774481211	HQWQFFDABNHYEO-RHSMWYFYSA-N	306.450	3.381	10	20	DGCD	
C[C@H](NCCCCNc1ccccn1)c1c(O)cccc1F	886522818	RDEJFYUYAQJJAR-ZDUSSCGKSA-N	303.381	3.469	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H](C)C1	780801599	YJJTYXCUCRRIOR-GOEBONIOSA-N	303.450	3.473	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CC[C@@H]2C[C@H]2C1	1122833556	UYLJIMUARXZEDY-NEPJUHHUSA-N	318.446	3.214	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC([C@H]2CCCO2)CC1	783963965	KEPRRISIELKQSC-LJQANCHMSA-N	312.413	3.331	10	20	DGCD	
C[C@@H]1Cc2cc(/C=C3/SC(=S)N(C4CC4)C3=O)ccc2O1	899260402	FVZWDVUOTOAKEA-MBBDXHFBSA-N	317.435	3.374	10	20	DGCD	
CC1(C)CCC(CC(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	784337490	WCWDEUCSKHWYPU-UHFFFAOYSA-N	320.385	3.430	10	20	DGCD	
CC(C)[C@@H](NCc1cc(Cl)c(F)cc1O)c1cnn(C)c1	897081574	PMOPJQPCVCMUCO-OAHLLOKOSA-N	311.788	3.405	10	20	DGCD	
COc1cc(C)cc(CNCc2cc(C)cc(OC)c2O)c1	894357531	TZANNCWLGCSKMW-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
CN(C)c1ccc([C@@H](CNc2cccc(F)n2)N(C)C)cc1	897524602	AEVVXIXPXAFEMD-OAHLLOKOSA-N	302.397	3.002	10	20	DGCD	
CCCC[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	799858027	YYCVNMNXWPABGC-HNNXBMFYSA-N	304.434	3.170	10	20	DGCD	
c1ccc2c(c1)CCN[C@@H]2CNCc1ccc(N2CCCC2)cc1	1327417178	ZMYNAVYTKRSNHX-OAQYLSRUSA-N	321.468	3.263	10	20	DGCD	
Cn1cc(C[C@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)cn1	1254019989	ZYAUFZWHLRXDGO-GOSISDBHSA-N	324.472	3.085	10	20	DGCD	
Nc1ccc(CN2CCO[C@@H](c3ccc(F)cc3F)C2)cc1	1336116937	IIUNTKFKWCMTDL-QGZVFWFLSA-N	304.340	3.121	10	20	DGCD	
COc1cc(C)cc(CNCCCCCN2CCCCC2)c1O	1262109966	MOXZSXJNZHVTSF-UHFFFAOYSA-N	320.477	3.455	10	20	DGCD	
C[C@H](CC(C)(C)CC(=O)O)NCc1ccc2c(c1)CCCN2C	1604122033	KEGGWFKGFBOJLN-CQSZACIVSA-N	318.461	3.438	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCN[C@H](C)C1	1579673631	AFVZIBASLKJTNG-RISCZKNCSA-N	317.458	3.026	10	20	DGCD	
O=C(O)c1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1	1574807515	LLVRJMHDYLBDQL-UHFFFAOYSA-N	310.353	3.237	10	20	DGCD	
CCN(CC)c1ccc(CNC2(C(=O)O)CC(C)(C)C2)cc1	1776861139	FOVUGIMHHWFTOO-UHFFFAOYSA-N	304.434	3.266	10	20	DGCD	
C[C@H](NC1CCN(C)CC1)c1ccc(N2CCCCC2)cc1	161509401	IENXTPRZMQNTKJ-INIZCTEOSA-N	301.478	3.422	10	20	DGCD	
COc1cc(O)c(CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)cc1OC	160325612	QKRDIAWZZUZURB-SJLPKXTDSA-N	323.433	3.045	10	20	DGCD	
Cc1ccnc(NCCc2ccc(O)c(O)c2)c1Br	811811008	KDANUCMUQHAFOS-UHFFFAOYSA-N	323.190	3.218	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1CCC1	178537790	XRNXOTYTHZIVLE-HNNXBMFYSA-N	302.462	3.174	10	20	DGCD	
O=C(COc1ccc(N2CCCC2)cc1)Nc1cccc(F)c1	178192038	XRQDIPORAGSUBN-UHFFFAOYSA-N	314.360	3.443	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC2CCCCCCC2)c1	114582058	UCJZGJQZLZTJSG-UHFFFAOYSA-N	306.406	3.313	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)N1CCCCCC1	118783725	DFWOXNOCEJWDML-INIZCTEOSA-N	318.461	3.395	10	20	DGCD	
CS[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1	117400733	BDSGCWVYKCFANM-ZBFHGGJFSA-N	321.490	3.226	10	20	DGCD	
Cc1nc(C)n(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1	176857270	LBULTWCINVHMQD-UHFFFAOYSA-N	322.412	3.494	10	20	DGCD	
CCN(CC)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	121681501	KTQVMZGERTZXDQ-UHFFFAOYSA-N	307.457	3.198	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C2(c3ccccc3F)CC2)cc1	128504114	RLRHMOIXRAWUSS-UHFFFAOYSA-N	312.388	3.240	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc(Cl)c[nH]1	75159827	DNGOIGRCJMAGDN-UHFFFAOYSA-N	304.777	3.183	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(Br)ccc2O)[C@@H](C)C1	282371586	QHTDCJBPYCYUML-GWCFXTLKSA-N	314.223	3.154	10	20	DGCD	
O=C(Cc1ccsc1)NCc1ccc(N2CCCC2)cc1	41365502	JHOIZFIUZUHTKS-UHFFFAOYSA-N	300.427	3.207	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1[C@@H]2CCc3ccccc3[C@H]12	130683718	XBZAUOYMKZOTHC-NEWSRXKRSA-N	322.408	3.262	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2c(C)cccc2F)c1	134148889	ILOYVIONFPJQSJ-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)Cc2cccc(OC)c2O)C12CCC2	92040982	UEIISLANRJOOAC-HZPDHXFCSA-N	305.418	3.180	10	20	DGCD	
CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc(C)ccc2O)C1	92400962	POQYSDVGYWMLRT-HOTGVXAUSA-N	318.461	3.217	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCCCN	237217305	OSZAYDSIIQPCGN-UHFFFAOYSA-N	317.477	3.154	10	20	DGCD	
CC(C)(C(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1	236709864	UGBYYPZHNWJPFJ-UHFFFAOYSA-N	300.377	3.044	10	20	DGCD	
Cc1cc(C(=O)NC[C@H](C)CN)c(C)n1-c1ccc(Cl)cc1	237573685	BTZRDBAFNYMUID-LLVKDONJSA-N	319.836	3.072	10	20	DGCD	
CCc1noc(C)c1C(=O)NCc1c(C)c2ccccc2n1C	348701352	QMYRGJCQETUFSN-UHFFFAOYSA-N	311.385	3.276	10	20	DGCD	
CCc1ocnc1C(=O)NCc1ccc(N(CC)CC)cc1	265695100	BQOPCZYPRATOLW-UHFFFAOYSA-N	301.390	3.013	10	20	DGCD	
CC[C@H](CSC)NC1CCN(c2ccc(OC)cc2)CC1	362258208	QJSWMGKAQYAKQY-CQSZACIVSA-N	308.491	3.395	10	20	DGCD	
COCCN(C)Cc1ccc(OCc2ccccc2)cc1O	273338406	ABINMPQZPMSRNN-UHFFFAOYSA-N	301.386	3.049	10	20	DGCD	
CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]3c3ccco3)ccc21	372580288	AEKKHTXGHITKQA-HZPDHXFCSA-N	310.397	3.082	10	20	DGCD	
CN(C)CCN(Cc1ccc(F)c(F)c1)Cc1ccccc1O	809737879	ODNBZMMMQJDWPR-UHFFFAOYSA-N	320.383	3.234	10	20	DGCD	
CCN(Cc1cccc(C(=O)N(C)C)c1)c1ccc(OC)cc1	299410966	ZVBCPQNTOYKAGS-UHFFFAOYSA-N	312.413	3.424	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c(O)c1	809758689	TXVYTQMQRBFDGZ-CVEARBPZSA-N	319.445	3.430	10	20	DGCD	
Cc1cc(CCNCc2cn(C)cn2)c(C)n1-c1ccccc1	808377152	JPJDQUIMTCVTMK-UHFFFAOYSA-N	308.429	3.160	10	20	DGCD	
CC[C@@H](N[C@H](C)CC(N)=O)c1cc(Cl)cc(Cl)c1O	806142818	GBZCKEKJYIQFDQ-RDDDGLTNSA-N	305.205	3.004	10	20	DGCD	
C[C@@H](NCC1CCNCC1)c1cccc(C(F)(F)F)c1O	817940150	GCNRLAFHGZHPAA-SNVBAGLBSA-N	302.340	3.061	10	20	DGCD	
CCC[C@](C)(NCc1cc(Cl)c(F)cc1O)C(=O)OC	816528847	UKTHXKIEYLBRMI-AWEZNQCLSA-N	303.761	3.006	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3nc(C)cc(C)n3)C2)cc1	819936769	WZGFUGSZYRAMEF-OAHLLOKOSA-N	312.417	3.040	10	20	DGCD	
COc1ccc(N(Cc2ccco2)C[C@@H]2CCC(=O)O2)cc1F	821397030	YIVOTQIBXGELNU-AWEZNQCLSA-N	319.332	3.140	10	20	DGCD	
Cc1cc(C)n(CCCNCc2cc(Cl)c(C)cc2O)n1	825037351	AWNAHWMJAVXHNT-UHFFFAOYSA-N	307.825	3.347	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](CO)c2ccccc2C)cc1Cl	825331411	NMDCFFIBBOXJAV-INIZCTEOSA-N	305.805	3.486	10	20	DGCD	
CCN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1	588403551	ORZFOKDRAUJNBH-WMZJFQQLSA-N	301.317	3.303	10	20	DGCD	
Cc1c(CNC(=O)c2cn(C)nc2C2CC2)n(C)c2ccccc12	580985367	ZYARMSFIRDCPGN-UHFFFAOYSA-N	322.412	3.028	10	20	DGCD	
Fc1cc(CN[C@H](C2CCC2)C2CC2)ccc1N1CCOCC1	834518997	OSMUVIOMYKYMHB-LJQANCHMSA-N	318.436	3.331	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cncs1	903448419	PBCDBRIQPWCAFZ-CJNGLKHVSA-N	318.490	3.163	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1c1ccccc1	588405837	VICGHQFUCQZQKK-PORJGFHNSA-N	309.365	3.331	10	20	DGCD	
C[C@@H]1CN(c2ccc(CN[C@H](C)C3CC3)cc2F)C[C@@H](C)O1	749125816	HQBQVGBRTMAJFM-MGPQQGTHSA-N	306.425	3.327	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccnc3ccccc23)cc1	841042835	LOWIBFWZHJKERU-LJQANCHMSA-N	320.440	3.090	10	20	DGCD	
Oc1ccc(Cl)cc1CNc1cc(N2CCCC2)ncn1	845709912	ZMCSEUDRDJBXCY-UHFFFAOYSA-N	304.781	3.048	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2ccc(C)cc2)cc1	844851866	JLCZOBWVJZGJMK-UHFFFAOYSA-N	312.413	3.212	10	20	DGCD	
CCc1cccc(CNCCc2ccccc2[N+](=O)[O-])c1O	848898481	VJQCVJLYGAXSMZ-UHFFFAOYSA-N	300.358	3.195	10	20	DGCD	
Cc1ccc([C@H](NC(=O)Cc2ccc(N)cc2)C(F)(F)F)o1	848437089	DFIIOEXFLDIUGS-AWEZNQCLSA-N	312.291	3.133	10	20	DGCD	
C[C@@H](NCC1(N(C)C)CC1)c1cccc(C(F)(F)F)c1O	841763969	TZPMCKCRICZBBK-SNVBAGLBSA-N	302.340	3.156	10	20	DGCD	
COC(=O)CSCC(=O)c1cc(C)n(-c2ccccc2)c1C	849191615	RATZZMBYGNJXGQ-UHFFFAOYSA-N	317.410	3.183	10	20	DGCD	
COC(=O)[C@H](NCc1ccc(N(C)C)cc1C)c1cccs1	840942259	WZLLARBLCYNILB-MRXNPFEDSA-N	318.442	3.126	10	20	DGCD	
C[C@@H](N[C@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1O	841761656	QQNQVGWETGHRSH-BZNIZROVSA-N	314.341	3.223	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)sn1	749241527	VECHTJPFEMUONA-UHFFFAOYSA-N	304.419	3.148	10	20	DGCD	
CCN(CCSC)C(=O)c1cc(C)n(-c2ccccn2)c1C	844123260	UVUGUCVKNCJYCO-UHFFFAOYSA-N	317.458	3.314	10	20	DGCD	
Cc1ccncc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	741899823	JRCVIOMELBDEMB-UHFFFAOYSA-N	309.413	3.261	10	20	DGCD	
CCN(CC)c1ccc(CNCCN2CC[C@@H](C)C2)cc1F	744450400	SUIXVASEMRUFRB-OAHLLOKOSA-N	307.457	3.103	10	20	DGCD	
Cc1cc(C)cc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)c1	841797521	SDGXYRMWBWCEKE-OAHLLOKOSA-N	311.429	3.489	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@H](F)C1	845261153	ICKFIYDVQWSEMQ-ZBFHGGJFSA-N	321.440	3.136	10	20	DGCD	
CCOc1cccc(CN2CC[C@H](Oc3ccccc3)C2)c1O	843416372	QDWJGYHDIJPRNP-KRWDZBQOSA-N	313.397	3.444	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H]2CCCN2CC(F)(F)F)c(O)c1	926922914	SFDWUDLWGSODCC-QWHCGFSZSA-N	316.367	3.378	10	20	DGCD	
COc1cc(CNCc2snnc2C)c(O)c(C(C)(C)C)c1	850309577	YTKUBDMTXWZAOV-UHFFFAOYSA-N	321.446	3.148	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](C)N2CCCC[C@@H]2C)c1	756411366	OSKCXZDGPLDQRL-ZNMIVQPWSA-N	306.450	3.314	10	20	DGCD	
CCC[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)OCC	858684287	RLRYVLXHQPMHFJ-KRWDZBQOSA-N	321.465	3.099	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H]2CN(CC(C)C)CCO2)c(O)c1C	756355675	QSJMBVNHCZRHFQ-DLBZAZTESA-N	320.477	3.016	10	20	DGCD	
COC(C)(C)C[C@@H](C)NCc1c(O)cccc1Br	858146674	KYMJXEVSBJOOPQ-SNVBAGLBSA-N	316.239	3.448	10	20	DGCD	
C[C@H]1C[C@@H](N[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CN1C1CC1	756640104	IRUPUQUBAOJXII-ZAZJYDDPSA-N	304.409	3.294	10	20	DGCD	
COc1cc(Br)cc(CN[C@]2(C)CC2(C)C)c1O	850400129	ZVHAMVZLMXLWSX-CQSZACIVSA-N	314.223	3.442	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H](C2CCCCC2)C1	857316352	VKDWNKUNXGGKKE-LBPRGKRZSA-N	307.365	3.279	10	20	DGCD	
C[C@H]1C[C@@H](NCC2(C)CCN(C)CC2)c2c(O)ccc(F)c21	757640479	XEZKOFIBLNMOGC-GXTWGEPZSA-N	306.425	3.401	10	20	DGCD	
CC(C)OC1CC(N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	769994762	ITAXIZFNHXYWRB-DMKPSLHHSA-N	318.461	3.130	10	20	DGCD	
C[C@@H](NC(=O)c1nn(C)c2ccccc12)c1ccc(N(C)C)cc1	860950330	MAPHFJHBGYYVEE-CYBMUJFWSA-N	322.412	3.130	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(C2CCOCC2)cc1	866756153	QVRFMGFGMVCZSW-UHFFFAOYSA-N	311.381	3.216	10	20	DGCD	
O=C(O)C[C@@H](CNCc1ccc2c(c1)CCO2)C1CCCCC1	864521298	NVZHCNIEQFBXJP-KRWDZBQOSA-N	317.429	3.382	10	20	DGCD	
COC(=O)[C@H]1c2ccccc2CCN1Cc1ccc(N(C)C)cc1	769516987	XRTHKANVEVUBFS-LJQANCHMSA-N	324.424	3.025	10	20	DGCD	
COc1ccc(CNCc2c(Cl)cccc2N(C)C)c(O)c1	1116879176	QLSVIJQZPFNHBC-UHFFFAOYSA-N	320.820	3.410	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cc(Cl)ccc1O	779431909	HSINHZKJUAZGPX-XJKSGUPXSA-N	311.809	3.257	10	20	DGCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)c1cc(F)ccc1F	776661505	QLWAKTBYMPVHSC-CYBMUJFWSA-N	307.296	3.257	10	20	DGCD	
C[C@@H]1CCC[C@@H](Cn2cc(COc3ccc(N)cc3)nn2)C1	881326148	XUSRELDOFTVWGS-ZIAGYGMSSA-N	300.406	3.266	10	20	DGCD	
Nc1ccc(CN2CCC(Oc3ccc(Cl)cn3)CC2)cc1	1120268426	FAFXZPWWNJGKLL-UHFFFAOYSA-N	317.820	3.361	10	20	DGCD	
Cn1cc(/C=C\C(=O)N(Cc2ccco2)c2ccccc2)cn1	783670350	STYKYGNXTNGFSK-KTKRTIGZSA-N	307.353	3.260	10	20	DGCD	
CCCN(Cc1c(Cl)c(C)nn1C)c1ccc(CN)cc1	894047325	SLOCKMDMYYTFDB-UHFFFAOYSA-N	306.841	3.257	10	20	DGCD	
COc1cc(C)cc(CN[C@](C)(CO)C2CCCCC2)c1O	894277423	AKNLUMYFJIOYTQ-GOSISDBHSA-N	307.434	3.130	10	20	DGCD	
COc1cc(C)cc(CN[C@H](CCO)c2ccccc2F)c1O	895086835	WMKKCHFICGYRDT-MRXNPFEDSA-N	319.376	3.062	10	20	DGCD	
C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1	780296710	CFJIBJHGIJKCFJ-ZBFHGGJFSA-N	301.434	3.275	10	20	DGCD	
C[C@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CO1	784312011	HYHIZAHAUVXPPJ-RDJZCZTQSA-N	316.445	3.060	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CNC[C@H]1CCCO1	708056474	LOPGHYSSUDSRIO-SNVBAGLBSA-N	320.614	3.077	10	20	DGCD	
CC[C@H](NCCCN1CCCCCC1=O)c1ccc(F)cc1O	796673060	PXVGSKUGQAGQQR-INIZCTEOSA-N	322.424	3.365	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@H]3OCCC[C@@H]3C2)cc1F	1330090966	GHJWNWIUBAREEV-SJKOYZFVSA-N	310.388	3.032	10	20	DGCD	
O=C(Nc1ccn(C2CCCCC2)n1)c1cccc(O)c1O	1339175024	HHEVIKWUISXRIT-UHFFFAOYSA-N	301.346	3.052	10	20	DGCD	
O=C(O)c1cnc(Sc2nc(C(F)(F)F)cs2)s1	1602534747	JIQNBVSDWAXCTB-UHFFFAOYSA-N	312.319	3.468	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCN2C)c1cc(C(=O)O)co1	1593304690	PHVYVORBRPDPNU-LBPRGKRZSA-N	314.385	3.211	10	20	DGCD	
C[C@@H]1CC[C@](NCc2ccc(N3CCCCC3)cc2)(C(=O)O)C1	1776628175	BUBUUWMVWMPEEH-DNVCBOLYSA-N	316.445	3.410	10	20	DGCD	
COc1ccc(N(Cc2cccs2)CC(OC)OC)cc1	161769919	CELZGGMIUDCJKX-UHFFFAOYSA-N	307.415	3.382	10	20	DGCD	
COc1cc(CN2CCC(C(F)(F)F)CC2)c(O)cc1C	160311382	PJVNSSSGTGPADX-UHFFFAOYSA-N	303.324	3.484	10	20	DGCD	
COc1cc(CN2CC[C@@H](CN(C)C)C2)c(O)c(C(C)(C)C)c1	164392287	LOSPKDPJDFBOEZ-AWEZNQCLSA-N	320.477	3.082	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C2CCC2)cc1F	102905181	UXYUPBWCWLQMFW-MRXNPFEDSA-N	319.424	3.366	10	20	DGCD	
C[C@@H]1CC[C@H](CCC(=O)NCCCSc2nccs2)O1	173561493	JGCKMVVMSXJLHM-VXGBXAGGSA-N	314.476	3.089	10	20	DGCD	
CN(C)[C@@H](CNCc1cc(Cl)ccc1O)c1ccccc1	21051809	ROGGEYYKTUNMIJ-INIZCTEOSA-N	304.821	3.438	10	20	DGCD	
C[C@H](CNC(=O)c1cccc(O)c1O)Sc1ccccc1	187142787	UYRHUVOQNLEZNH-LLVKDONJSA-N	303.383	3.008	10	20	DGCD	
Cn1cnnc1-c1cccc(NCc2cc(Cl)ccc2O)c1	122644464	LNGPWWWEHSVZFR-UHFFFAOYSA-N	314.776	3.453	10	20	DGCD	
CCc1sc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C	183473346	LVRDWMYCMUJXLR-NSHDSACASA-N	319.426	3.391	10	20	DGCD	
CN(CCC(F)(F)F)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	315988771	OTRNWYOKJAZGBL-HYXAFXHYSA-N	318.251	3.081	10	20	DGCD	
Cc1cccc(C[C@H](CO)N[C@H](C)c2cc(F)ccc2O)c1	191603510	GLYHVAAXLANYKJ-CZUORRHYSA-N	303.377	3.094	10	20	DGCD	
Cc1cccc(CN2CCc3nc(C(C)(C)C)ncc3C2)c1O	143365635	LPGKTAGQXCBWGM-UHFFFAOYSA-N	311.429	3.346	10	20	DGCD	
CNC(=O)[C@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)C1	93360737	QZNOKCZCGOQHLR-KRWDZBQOSA-N	324.424	3.017	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C(CC)CC)CC2)cc1	244274626	WQLIXUSKCDAIAH-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
Cc1ccc([C@@H](C)NCCOc2ncccc2F)c(O)c1C	273528076	VREHLHGGPTXYCK-CYBMUJFWSA-N	304.365	3.273	10	20	DGCD	
C[C@@H](NCCc1ccncc1)c1ccc(Br)cc1O	273605137	TVUWZBRRCJOLFQ-LLVKDONJSA-N	321.218	3.443	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)[C@H](O)c2cccc(F)c2)c1	273490337	OBSNIAGUIQUWLM-PZROIBLQSA-N	319.376	3.313	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1	372116074	LLZAVCSBZNFGBC-SFHVURJKSA-N	312.388	3.184	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NC[C@H]2CCOC2)c1O	275272369	CFYLEILCWKQULO-GHMZBOCLSA-N	314.223	3.150	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCCCCC1)c1ccc(F)cc1O	285535290	BWLFCAJMTOLAFB-INIZCTEOSA-N	322.424	3.365	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cncnc1	283195192	MTHRQBYZRLZOGE-UHFFFAOYSA-N	300.362	3.016	10	20	DGCD	
C[C@H](N[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1O	293272390	CLLOBTSVIWPFIG-UONOGXRCSA-N	300.377	3.461	10	20	DGCD	
COc1ccc(N(Cc2nc(C)n[nH]2)Cc2ccco2)cc1F	293307927	VLJAJIUMVMQPNP-UHFFFAOYSA-N	316.336	3.061	10	20	DGCD	
CC[C@@H](NCc1ccc(OC)nc1OC)c1ccc(C)cc1O	290057106	FJODWMIPOKRHKE-OAHLLOKOSA-N	316.401	3.354	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C2CC2)C(C)(C)CO)c(O)c1	290987918	UWARRBNHKQJOGF-KRWDZBQOSA-N	307.434	3.068	10	20	DGCD	
COC(=O)CCN(Cc1cc(Cl)c(F)cc1O)CC(C)C	816492457	SUYPDTCPUIWARU-UHFFFAOYSA-N	317.788	3.206	10	20	DGCD	
Clc1ccc(NCc2ccc(N3CCSCC3)cc2)nn1	819908720	LYYXMHBBBKXTRJ-UHFFFAOYSA-N	320.849	3.295	10	20	DGCD	
C[C@@H](Nc1ccc(COCCO)cc1)c1cc(F)ccc1O	818362148	QCVJBSGPSIKEBO-GFCCVEGCSA-N	305.349	3.213	10	20	DGCD	
C[C@@H](CN)CN[C@H](C)c1cc(Br)cc(Cl)c1O	817962467	MSWBHAPUFQCJHW-JGVFFNPUSA-N	321.646	3.054	10	20	DGCD	
CN1CC[C@H](N[C@@H](CCc2ccccc2)c2ccccc2O)C1	815576534	SHYCMXCRKFBHHF-HKUYNNGSSA-N	310.441	3.360	10	20	DGCD	
C[C@@H](NC(=O)[C@]1(C)CCOc2ccccc21)c1ccccc1O	828539299	KQCOOWXYILVIFD-BFUOFWGJSA-N	311.381	3.310	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1C[C@H]2CCCN2Cc2ccccc21	902699819	SWMZVIZSZZCIDC-QZEKMECESA-N	319.408	3.106	10	20	DGCD	
CO[C@@](C)(C(=O)N[C@H](C)c1ccccc1O)c1ccccc1F	827946264	BTUKOLSBFNRNEJ-KZULUSFZSA-N	317.360	3.270	10	20	DGCD	
C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccoc1	903447809	CUSWTTZTYJQYQK-RDTXWAMCSA-N	301.434	3.299	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccsc1	734520419	IEDFDUJCBMPASB-UHFFFAOYSA-N	303.431	3.122	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@]2(C)CCOC2)cc1	733121136	KXXZCLMWXYMIMO-IBGZPJMESA-N	312.413	3.251	10	20	DGCD	
CCc1cccc(NC(=S)NCCc2ccc(O)c(O)c2)c1	730591112	JWGDNPMGDHXZFQ-UHFFFAOYSA-N	316.426	3.189	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H](O)c1ccccc1Cl)CC2	834668805	OBXMJKXZIBPUNL-GOEBONIOSA-N	303.789	3.356	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)[C@H](O)c2ccc(C)cc2)c1O	846169345	CYMSWYSGYKEOFS-IYOUNJFTSA-N	315.413	3.482	10	20	DGCD	
CC(C)(CNCc1c(O)ccc(Cl)c1F)OCC1CC1	840960250	IOXOQDRBOFJSQE-UHFFFAOYSA-N	301.789	3.480	10	20	DGCD	
Cc1ccc([C@H](C)CNC(=O)NCCc2ccc(N)cc2)cc1	841830217	FIWKCBLUZZWXGD-OAHLLOKOSA-N	311.429	3.223	10	20	DGCD	
CCN(CC)c1ccc([C@H]2NC3(CCCC3)C(=O)N2C)cc1F	742438960	HALLVYCJPZIPAK-INIZCTEOSA-N	319.424	3.045	10	20	DGCD	
CCOCc1cc(CNC[C@H]2CC[C@H](CN)CC2)ccc1OC	841079273	KRNSSSQSWWSLPV-WKILWMFISA-N	320.477	3.086	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](C)N2CCC[C@H](C)C2)c1O	846140509	VPNVWKGMWRVJFT-KKUMJFAQSA-N	306.450	3.172	10	20	DGCD	
CCOc1ccc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c(O)c1	742376740	FJLRSSBCZRIORU-DJIMGWMZSA-N	305.418	3.084	10	20	DGCD	
C[C@H](NC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C)c1ccc(N(C)C)cc1	841581958	LUBOWNMUEAOWDO-XGUBFFRZSA-N	303.450	3.500	10	20	DGCD	
C[C@H](NC(=O)N1C[C@H](C)[C@H](C)[C@H]1C)c1ccc(N(C)C)cc1	841581960	LUBOWNMUEAOWDO-ZQDZILKHSA-N	303.450	3.500	10	20	DGCD	
CC(C)[C@@H](CN[C@@H](C)c1cc(F)cc(F)c1O)N1CCCC1	756398181	CUJBYOIOEBKIDN-BLLLJJGKSA-N	312.404	3.441	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(N)c1C	859732285	MSYCFKFRTTWQPA-UHFFFAOYSA-N	312.417	3.273	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@H](C)c1cc(F)ccc1O	757653541	JIHYGISANNIZBA-TZMCWYRMSA-N	307.365	3.423	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(F)cc1O	850500667	GEFDUHNTRAYYPY-HNGAVHBYSA-N	313.438	3.262	10	20	DGCD	
C[C@@H](NCCOC1CCCCC1)c1cc([N+](=O)[O-])ccc1O	756490338	NSOUSDGGTHLHFN-GFCCVEGCSA-N	308.378	3.300	10	20	DGCD	
CC[C@@H](NCCN(C)OC)c1ccc(Cl)c(Cl)c1O	850479645	YEBUCTCRUAOBFO-LLVKDONJSA-N	307.221	3.233	10	20	DGCD	
CC1CCN([C@@H](C)CN[C@H](C)c2cc(F)cc(F)c2O)CC1	756504027	OPZGFTBMIGOZHY-QWHCGFSZSA-N	312.404	3.441	10	20	DGCD	
Cc1cccn2cc(CCN[C@@H](C)c3ccc(F)cc3O)nc12	756628357	LPSOOYFIIGQQNG-ZDUSSCGKSA-N	313.376	3.381	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H]2COc3ccccc3C2)c1	756459792	XIRPCCALCQDVNA-KBPBESRZSA-N	313.397	3.303	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@@H]1CN[C@H](C)c1cc(OC)ccc1O	930216386	GRRCVWFUAJSRLU-UMVBOHGHSA-N	321.417	3.031	10	20	DGCD	
CCOc1cccc(CN(C)[C@H]2C[C@@H](OCC)C2(C)C)c1O	769472912	KRVJSMPDFOSTOR-JKSUJKDBSA-N	307.434	3.426	10	20	DGCD	
OC[C@H]1C[C@@H](N[C@H](CCc2ccccc2)c2ccccc2O)C1	866416452	WLHZELPKWCVODX-ZIFCJYIRSA-N	311.425	3.427	10	20	DGCD	
C[C@@H](CN[C@H](C)c1ccc(Cl)cc1O)CC1(C)OCCO1	866427020	GWNDAMQUVFWDAG-VXGBXAGGSA-N	313.825	3.485	10	20	DGCD	
CCOc1cccc(CN[C@H]2CCc3cc(O)ccc3C2)c1O	767728815	SYFZIBSGOJIQLI-INIZCTEOSA-N	313.397	3.144	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)N1CCc2ccccc2C1	879650067	ZMQJLCVOWTUUQA-HUUCEWRRSA-N	324.424	3.016	10	20	DGCD	
CCCN(Cc1c(O)cccc1OC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	769470250	JPDLVTXSNZHWRT-MORSLUCNSA-N	319.445	3.426	10	20	DGCD	
C[C@H](NC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C)c1ccc(N(C)C)cc1	773613294	PRULPGMOHPGZML-APHBMKBZSA-N	301.434	3.111	10	20	DGCD	
CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccc(C)cc1C	775805513	DAXAUZCDWRQGHP-CLFYSBASSA-N	311.385	3.168	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N[C@H]1CCCC[C@@H]1C	879647890	PITCEMCBUKOSQC-FQLMCAECSA-N	304.434	3.126	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cc3ccccc3o2)ccc1O	776747371	CLOMKKPJCYLBET-UHFFFAOYSA-N	303.339	3.248	10	20	DGCD	
Oc1ccccc1CN1CCc2c(cnn2-c2ccccc2)C1	778999837	MENUBMOKMUWREH-UHFFFAOYSA-N	305.381	3.136	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@H](O)COc2ccccc2)c(O)c1	788507889	SUPYIOADKVMTRN-HZPDHXFCSA-N	315.413	3.100	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)c(O)c1O	780968794	KIQARAJGMSJOJK-OAHLLOKOSA-N	313.353	3.089	10	20	DGCD	
COc1ccc(CNc2ccc(N(C)C)c(C)c2)c(O)c1OC	892339245	FQDHIWUEJKLALV-UHFFFAOYSA-N	316.401	3.396	10	20	DGCD	
COCc1nccc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1	894217587	AIUQUEGDEGRGSC-AWEZNQCLSA-N	314.433	3.041	10	20	DGCD	
CC[C@](C)(CC(=O)OC)NCc1c(O)ccc(Cl)c1F	790973587	ODSFRZRVWMRQCU-CQSZACIVSA-N	303.761	3.006	10	20	DGCD	
CC(C)(C)OC(=O)N1CC[C@](C)(NCc2cc(F)ccc2O)C1	701874552	ATTZXXRONQSAHO-KRWDZBQOSA-N	324.396	3.020	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1c(Cl)ccc2c1CCO2	797667031	RHTSKNGMQTUOJN-UHFFFAOYSA-N	318.760	3.302	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNC[C@@H]1CCCCN1C1CC1	1324655198	ZGFPOUCEKIYWHZ-FQEVSTJZSA-N	313.489	3.393	10	20	DGCD	
CC(C)CCO[C@H](C)C(=O)Nc1c(Cl)ccc2nonc12	1327167983	VMZIXYWKNYITGM-SECBINFHSA-N	311.769	3.266	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@](CO)(C(C)C)C2)cc1	1325928099	HIQKJTOINWSISJ-LJQANCHMSA-N	304.478	3.373	10	20	DGCD	
CO[C@H](CN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21)C(F)(F)F	1254729755	LYSIGILZGIIIJR-CKYFFXLPSA-N	303.324	3.416	10	20	DGCD	
O[C@@H](CCc1ccccc1)CNCc1ccc(N2CCCC2)cc1	1323786851	ZSCAEXFDLRYYAD-NRFANRHFSA-N	324.468	3.370	10	20	DGCD	
COc1ccc(CNCc2cc(C)cc(OC)c2O)c(C)c1	1331533555	NTKPNXSWFAFAHR-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CCC2(CCCC2)C1	1339575316	XLGSBRHOYNXXGY-UHFFFAOYSA-N	304.419	3.020	10	20	DGCD	
C[C@H]1CC[C@](NCc2ccc(N3CCCCC3)cc2)(C(=O)O)C1	1776628176	BUBUUWMVWMPEEH-HNAYVOBHSA-N	316.445	3.410	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC=CC[C@@H]2C(=O)O)cc1	1776861022	KDQQSYNBDRAMQN-DLBZAZTESA-N	302.418	3.042	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2cccs2)c1	153903719	NDLFVEXVCGNJMH-LXSSAFMLSA-N	303.383	3.353	10	20	DGCD	
Oc1ccc(N2CCN(Cc3cc(Cl)ccc3O)CC2)cc1	157901526	UQBPOXJJGIXUKQ-UHFFFAOYSA-N	318.804	3.073	10	20	DGCD	
CCC[C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	55877655	JFSYCLFTZOKHEK-OAHLLOKOSA-N	304.434	3.170	10	20	DGCD	
CN1CCCc2cc(CNC(=O)COC3CCCCC3)ccc21	58770144	JAIUQSYYNSFHRQ-UHFFFAOYSA-N	316.445	3.035	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1F	71004390	VVYQEQWMKABWKA-UHFFFAOYSA-N	314.404	3.294	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCS1	126851587	KZHYMBZDFQPGDY-MRXNPFEDSA-N	321.490	3.180	10	20	DGCD	
CC[C@H](O)CN(Cc1ccccc1)Cc1cc(F)ccc1O	180205633	DELLYVUOTSLPJX-KRWDZBQOSA-N	303.377	3.304	10	20	DGCD	
C[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1	181123624	JSXWVHGZDIMWFP-BUUCAEBMSA-N	309.365	3.084	10	20	DGCD	
CCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(C)c1	182148485	NINSYHJTGOZWKD-UHFFFAOYSA-N	301.342	3.366	10	20	DGCD	
COc1ccc(O)c(CNC2(c3nccs3)CCCC2)c1	182220084	FVFFDEYKDRJQIL-UHFFFAOYSA-N	304.415	3.416	10	20	DGCD	
CCc1noc(CC)c1CN[C@@H](C)c1cc(OC)ccc1O	185678515	XIAVOULXFLWUTD-NSHDSACASA-N	304.390	3.364	10	20	DGCD	
CN(Cc1ccccc1O)C[C@H](O)c1ccc(F)cc1Cl	187246068	AGHQOGBFKGJNPP-INIZCTEOSA-N	309.768	3.350	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H](C)N2CCCCC2)c1O	228671715	MWXLNXXHOSMTBE-LBPRGKRZSA-N	312.841	3.018	10	20	DGCD	
Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(N)cc1	237667433	VJFSCYTZMJJPTE-UHFFFAOYSA-N	313.382	3.475	10	20	DGCD	
CSC[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	265558706	LCXNDMFGIZEDSU-CYBMUJFWSA-N	321.490	3.178	10	20	DGCD	
CC(C)[C@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1	265954137	VDCKFFXPGVNQLH-GOSISDBHSA-N	313.445	3.393	10	20	DGCD	
CCN(CC)CCC[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273421135	SCXYNUAQPPJMIV-ZIAGYGMSSA-N	323.437	3.462	10	20	DGCD	
CC[C@H](NC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(N(C)C)cc1	296118637	ZZISIFJCXOFLKG-DQXYTYHJSA-N	301.478	3.419	10	20	DGCD	
CN(Cc1ccsc1)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	314373468	RYVYKARRZICGLA-HYXAFXHYSA-N	318.354	3.391	10	20	DGCD	
CCCc1nc(=NCc2c(C)c3ccccc3n2C)s[nH]1	461967677	QUBRFFWBWFUXHL-UHFFFAOYSA-N	300.431	3.325	10	20	DGCD	
Cc1c(CNC(=O)c2ccc(N(C)C)cc2)n(C)c2ccccc12	471227836	SOSJHPDRJJKICZ-UHFFFAOYSA-N	321.424	3.483	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CSCc1cccs1	701182374	IKCXMVYCAYXYHO-UHFFFAOYSA-N	307.440	3.346	10	20	DGCD	
CCSCCOC(=O)c1sc2nc(C)cc(C)c2c1N	744575806	BTMZTHVNUKEJMW-UHFFFAOYSA-N	310.444	3.405	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@@]2(C)C(=O)O)cc1	756390687	VVCWHUXXCAYVFN-FUHWJXTLSA-N	304.434	3.266	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(N(C)C)nc2)c2c(O)ccc(F)c21	756401431	PBVXXJQEBYWCRZ-RISCZKNCSA-N	315.392	3.330	10	20	DGCD	
CCOC(=O)[C@@H](CC)N(C)Cc1ccc(N2CCCCC2)cc1	764141319	YRZZAZILOQGHNW-GOSISDBHSA-N	318.461	3.450	10	20	DGCD	
Oc1ccc2c(c1)CC[C@H](NCc1c(O)cccc1Cl)C2	767726563	DMYAKIJYBGWTNO-ZDUSSCGKSA-N	303.789	3.398	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCC[C@H]2C2OCCO2)cc1	769301147	MDLZUJCFKNZBEJ-SFHVURJKSA-N	318.461	3.260	10	20	DGCD	
CCOc1ccc(CN(C)CCOc2ccccc2)c(O)c1	771932028	SVVWDNCLMIVNDE-UHFFFAOYSA-N	301.386	3.302	10	20	DGCD	
CSCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773309588	YDDOSPNNXNHFBU-CHWSQXEVSA-N	309.479	3.254	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1O	775014829	QHWLAWUHTXYGAH-SGMGOOAPSA-N	320.389	3.367	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@@H](c2cc[nH]n2)C1	775657869	ALUYZZYFQCTEMQ-SNVBAGLBSA-N	309.772	3.287	10	20	DGCD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)o1	779500344	PAFGNXBVDBALKZ-HSUNPXRSSA-N	313.353	3.144	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC2(CCCC2)C1	779575681	MYUJEJRCIGGACV-UHFFFAOYSA-N	301.434	3.147	10	20	DGCD	
Cc1ccc(C(=O)N2Cc3ccccc3C(F)(F)C2)c(O)c1O	780987863	ZSPFZCLPIIOUJY-UHFFFAOYSA-N	319.307	3.154	10	20	DGCD	
Cc1cscc1CNC(=O)NCc1ccc(N(C)C)cc1	783634188	QYNCVNBEWSWFPS-UHFFFAOYSA-N	303.431	3.122	10	20	DGCD	
CN1C(=O)/C(=C/c2cscc2Br)SC1=S	794681532	SKHRZNVBVPPMNT-UQCOIBPSSA-N	320.258	3.342	10	20	DGCD	
CCc1ccnc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)c1	797793622	RNKOTVQCFUQTGD-UHFFFAOYSA-N	316.386	3.039	10	20	DGCD	
Cc1cc[nH]c1C(=O)N(Cc1ccco1)Cc1ccccc1O	797931490	IZQTVQILIDQFOS-UHFFFAOYSA-N	310.353	3.464	10	20	DGCD	
COC(=O)CC1(CN2CCCCc3cc(OC)ccc32)CC1	799311434	UYMHMVNFZNUIEC-UHFFFAOYSA-N	303.402	3.181	10	20	DGCD	
CCSCCCNC(=O)NCc1c(O)ccc2c1CCCC2	800000907	LCVHONAGFYQARS-UHFFFAOYSA-N	322.474	3.213	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc2cccnn12	801549483	PWEGNJFAQDALTO-UHFFFAOYSA-N	323.396	3.482	10	20	DGCD	
CCCN(CCN1CCCC1)Cc1cc(OCC)ccc1O	809700579	JRLONRUNOJHGQJ-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
CCN(C)C(=O)c1cccc(NCc2cc(F)ccc2O)c1	809726489	OWOSRRQAXJTIBJ-UHFFFAOYSA-N	302.349	3.235	10	20	DGCD	
Fc1cc(CN2CCC[C@H](C3CC3)C2)ccc1N1CCOCC1	809786871	NODPNTFHXFQYCG-KRWDZBQOSA-N	318.436	3.284	10	20	DGCD	
CCc1nnc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)s1	810259059	AJHLZOZAJJUFKQ-PSASIEDQSA-N	307.394	3.283	10	20	DGCD	
CCOc1ccc(CNCc2c(F)cc(F)cc2F)c(O)c1	815152708	SQTWFRVPIGXOFR-UHFFFAOYSA-N	311.303	3.498	10	20	DGCD	
CN(C)C1CCC(NCc2c(O)ccc(Cl)c2F)CC1	817415901	ADIJBSOPUZVMSQ-UHFFFAOYSA-N	300.805	3.147	10	20	DGCD	
COC1([C@@H](C)N[C@H](C)c2ccc(C)c(C)c2O)CCOCC1	817589064	SZFTUFLLJYPQOB-HUUCEWRRSA-N	307.434	3.244	10	20	DGCD	
C[C@H]1CC[C@@H](C)N1C(=O)c1csc(Cc2ccc(N)cc2)n1	817960288	LRNNLABSDWRTCY-TXEJJXNPSA-N	315.442	3.329	10	20	DGCD	
C[C@@H](CCCCN)N[C@@H](C)c1cc(Br)ccc1O	817976544	NERKVNTXSSFJTQ-QWRGUYRKSA-N	315.255	3.323	10	20	DGCD	
COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(N)cc2)c1	818556266	GIYYMMMGHYNMJQ-HOCLYGCPSA-N	312.369	3.028	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc2c([nH]1)CCCC2	822495905	SPHGRTFPVCWEIP-UHFFFAOYSA-N	323.440	3.424	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@]12CCC[C@@H]1C2	822834219	VPTUWJFJULLLDG-IDHHARJASA-N	300.446	3.298	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H]3CN(C)CC[C@H]32)cc1Cl	825935509	WIDBZDOGJUHZRH-XJKSGUPXSA-N	308.853	3.270	10	20	DGCD	
Cc1cc(C(=O)N(C)CCCN)c(C)n1-c1cccc(Cl)c1	832782295	ZLWJJUCAWLIUHV-UHFFFAOYSA-N	319.836	3.168	10	20	DGCD	
C[C@@H](NC[C@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1O	834908880	MQDWHOMKZQMYPQ-CLAHSXSESA-N	317.216	3.018	10	20	DGCD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	838767095	WIJBOUGZTHBDQO-FUHWJXTLSA-N	303.450	3.329	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CC(C)C1	840315633	ZTCUUYQLVDLNDD-CXOJTPOUSA-N	303.450	3.090	10	20	DGCD	
CCOc1cccc(CN2CCNCc3c(C)cccc32)c1O	841090693	VHVIJGCHAXCQKU-UHFFFAOYSA-N	312.413	3.209	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CO1	842776150	SESBLGMBKGKNAL-PWSUYJOCSA-N	302.340	3.038	10	20	DGCD	
COC(=O)Cc1ccccc1CN[C@H](C)c1cc(C)ccc1O	848571480	BZVCPMRFOLUYHN-CQSZACIVSA-N	313.397	3.267	10	20	DGCD	
CCc1cccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)c1O	848895038	OFFGEABUWJZOSK-UHFFFAOYSA-N	316.357	3.161	10	20	DGCD	
CSCC1(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	850507779	QEEJLRNIPOUKKC-LLVKDONJSA-N	310.419	3.484	10	20	DGCD	
Cc1noc(C)c1[C@H](C)NCc1cc(F)c(N(C)C)cc1F	858136986	BXZDJFJKAXADMP-VIFPVBQESA-N	309.360	3.486	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1	858605347	RTSJRAJLGZDTFM-BSXFFOKHSA-N	318.461	3.209	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC(C)(C)CC[C@H]2CO)cc1F	864053898	PTHMSXBLYRVNKV-ZDUSSCGKSA-N	312.404	3.014	10	20	DGCD	
C[C@@H](NC[C@@H]1OCCc2ccccc21)c1c(O)cccc1F	886548183	YMKGHYKICXWYNQ-PXAZEXFGSA-N	301.361	3.496	10	20	DGCD	
COc1cc(C)cc([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c1O	887328007	HOCSQCUTQPLWMY-QGZVFWFLSA-N	312.369	3.214	10	20	DGCD	
CCc1cccc(CNc2ccc(N(C)C(=O)NC)cc2)c1O	895622854	QWMQCBICZIMUIQ-UHFFFAOYSA-N	313.401	3.342	10	20	DGCD	
CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC)c(O)c1	915227541	VWFPRWBCUDEUJD-QGZVFWFLSA-N	312.369	3.377	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cnn(C)n2)c(C)n1-c1ccccc1	926763540	AYHPBQZYBPVUTP-AWEZNQCLSA-N	309.417	3.073	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)C(C)C)CC2)cc1	1253853596	PRXQUSZFRBQJDQ-OAHLLOKOSA-N	304.434	3.026	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCO[C@@H]1CCOC1	1320247340	QLKMGXGRZOPEJQ-RBSFLKMASA-N	305.418	3.034	10	20	DGCD	
O=C(NCCCSc1nccs1)N[C@@H]1CCC[C@H](F)C1	1329253959	QDKIZMKPASCYHK-WDEREUQCSA-N	317.455	3.205	10	20	DGCD	
C[C@H](NC(=O)[C@H](CN)C1CCCCCC1)c1ccccc1O	1342404364	HBSWUTZOJOUCIY-XJKSGUPXSA-N	304.434	3.115	10	20	DGCD	
COc1ccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)c(O)c1OC	1351999213	WWXQYVHDPNVYJG-VNHYZAJKSA-N	305.418	3.468	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@H]2C(=O)O)cc1F	1589728538	DCDDHMRCXQJHIP-HIFRSBDPSA-N	308.397	3.015	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)O)cc1C	1776821445	ZOJYUFNSUYTGDZ-QBPKDAKJSA-N	317.429	3.373	10	20	DGCD	
CCN1CCc2cc(CN[C@H](CC(=O)O)c3ccccc3)ccc21	1776884637	BJJUIJSKKMMJSZ-GOSISDBHSA-N	324.424	3.375	10	20	DGCD	
Cc1c(NC(=O)N(C)Cc2ccccc2O)cccc1[N+](=O)[O-]	47345963	SXBUHLUJQCJLBO-UHFFFAOYSA-N	315.329	3.273	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2ccc(F)cc2F)cc1F	87209970	LAGQJVUMZCVXBX-UHFFFAOYSA-N	322.330	3.029	10	20	DGCD	
C[C@@H](c1ccco1)N(Cc1cc2c(cc1O)OCO2)C1CC1	92484152	KWNVIETUHBXUJU-NSHDSACASA-N	301.342	3.440	10	20	DGCD	
Cc1ccc(O)c(CN2CCO[C@@H](c3ccccc3F)C2)c1	92975343	BRIVGPMNJKKZMW-GOSISDBHSA-N	301.361	3.413	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(O)c(Cl)c2)c1	103530668	OFLNETJDGMVYBF-VIFPVBQESA-N	321.760	3.251	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2cnn(C)c2)cc1	119054925	KYLWVHRXNVAOAD-OAHLLOKOSA-N	322.412	3.319	10	20	DGCD	
Cc1nc(C(=O)N(Cc2ccccc2O)C2CCCCC2)no1	123410605	YVOQRGIODCDKIJ-UHFFFAOYSA-N	315.373	3.059	10	20	DGCD	
COCCN(Cc1cccc(Br)c1O)CC(C)C	132645863	NZSJSGXILRKPMP-UHFFFAOYSA-N	316.239	3.259	10	20	DGCD	
COc1cccc(CNC(=O)CCCc2sccc2C)c1O	133593051	NGQLFJKPSPWCAG-UHFFFAOYSA-N	319.426	3.410	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1	156588750	CTIJJPLBUABFMW-XBXARRHUSA-N	317.772	3.123	10	20	DGCD	
O=C1CC[C@H]2CN(C(=O)/C=C/c3cccnc3)c3cccc1c32	184376911	WOQURMJHOSFACK-MRZGDXHCSA-N	304.349	3.202	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc(-n3ccnc3C)nc2)c1	185084138	LBLCQZVKUQOQHI-CQSZACIVSA-N	322.412	3.441	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2ccoc2)cc1F	185725074	GAUHMVVBHPRGBG-UHFFFAOYSA-N	304.365	3.124	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2ccccc2O)[C@@H]1Oc1ccccc1	186161958	URCUZOJPNNQFTQ-NEWSRXKRSA-N	313.397	3.107	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccnc1	195208318	MZTPRRKMEZULLR-AWEZNQCLSA-N	324.428	3.024	10	20	DGCD	
COc1cccc(N2CC[C@@H](N[C@H](C)c3ccccc3O)C2)c1	272831030	HXJTUFCFCCSTLC-HUUCEWRRSA-N	312.413	3.330	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](c2ccccc2)c2cnn(C)c2)cc1	273077760	IIBYKTMOQKQUGZ-FQEVSTJZSA-N	320.440	3.365	10	20	DGCD	
Cc1nc(C)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)s1	273611050	VWCGMDUPOCSVQY-QMMMGPOBSA-N	307.375	3.225	10	20	DGCD	
C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1O	276858224	CFIHLWBCGZELHX-SNVBAGLBSA-N	322.311	3.472	10	20	DGCD	
CCCC[C@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	278190830	RLDJSKQIVJPOFD-SNVBAGLBSA-N	316.188	3.191	10	20	DGCD	
Oc1cc2c(cc1CN[C@H]1CCCc3ccc(F)cc31)OCO2	279636807	CMINTEVWYLXHBO-HNNXBMFYSA-N	315.344	3.427	10	20	DGCD	
CCCOc1ccc(CNCc2nccc(C(F)F)n2)c(O)c1	288488622	QQMYYMBAVDRARU-UHFFFAOYSA-N	323.343	3.198	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)NCc1ccc2c(c1)CCO2	294664468	ABHUGWVICPOVJK-ZDUSSCGKSA-N	303.324	3.069	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCO1	298628462	UJWJQTUQGHNMTP-KRWDZBQOSA-N	304.434	3.059	10	20	DGCD	
C[C@H]1CCCCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	315515381	ZRMHGIPTEHTRKI-UPZNUWHASA-N	304.346	3.462	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCN2CCCC[C@H]12	315573662	PVBWQJMHXDPRAG-LVQVYYBASA-N	300.446	3.465	10	20	DGCD	
CC(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	363619537	HAYBMLUMZAJJKP-UHFFFAOYSA-N	312.360	3.029	10	20	DGCD	
CC[C@H](N[C@H](CC)[C@H](C)O)c1cc(Br)ccc1O	386737619	XGZHESWKNOOCHL-BIMULSAOSA-N	316.239	3.355	10	20	DGCD	
CCC(C)(C)N[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C	473275519	WRVKHZADHWMOFY-AWEZNQCLSA-N	315.461	3.270	10	20	DGCD	
CN1CCC(CNCc2cc(-c3ccccc3)ccc2O)CC1	729682806	OVGAWJXRBDLDDW-UHFFFAOYSA-N	310.441	3.491	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(C)nc2)cc1F	731346319	VJVHTTMSDVSROR-UHFFFAOYSA-N	315.392	3.305	10	20	DGCD	
CC[C@](NCc1ccc2c(c1)CCO2)(C(=O)O)c1ccccc1	736919527	AZMZRKPRCABYMS-LJQANCHMSA-N	311.381	3.101	10	20	DGCD	
Cc1ccc([C@@H](C)C(=O)NCc2ccc(N(C)C)cc2C)o1	742685151	YCYLWSMARUVDIT-CQSZACIVSA-N	300.402	3.382	10	20	DGCD	
COc1cc(Br)cc(CNCC2(C)CC2)c1O	748098474	FDVMCBMCHGTTQL-UHFFFAOYSA-N	300.196	3.053	10	20	DGCD	
O=C(NCc1ccccc1O)c1csc(-c2ccccc2)n1	748353184	NFBILVYDNDNUBW-UHFFFAOYSA-N	310.378	3.446	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NOCC(C)C)cc1F	749822410	HCZWRTKELATBHO-UHFFFAOYSA-N	311.401	3.059	10	20	DGCD	
C[C@H](NC[C@@H](C)N1CCCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1O	756412516	UPIZUBFXJXRVMZ-MJBXVCDLSA-N	321.421	3.214	10	20	DGCD	
C[C@@H]1C[C@@H](NCC2(C)CCN(C)CC2)c2c(O)ccc(F)c21	757640490	XEZKOFIBLNMOGC-TZMCWYRMSA-N	306.425	3.401	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCOc1ccc(Cl)cc1	761746544	WBFMLKDIHVQOFQ-UHFFFAOYSA-N	319.788	3.473	10	20	DGCD	
CO[C@@]1(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)CCOC1	763575590	YJFVLWSWOQXUAN-YMTOWFKASA-N	320.216	3.155	10	20	DGCD	
Oc1c(Br)cccc1CN[C@@H]1CCCc2c[nH]nc21	765283002	YEEQQFNCCGKONQ-GFCCVEGCSA-N	322.206	3.045	10	20	DGCD	
NC(=O)CN(Cc1cc(-c2ccccc2)ccc1O)C1CCCC1	768258151	QVVPTAVXHVNLOW-UHFFFAOYSA-N	324.424	3.289	10	20	DGCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC(C)(C)C1	768645792	OTDQTXLPRUIITN-SOFGYWHQSA-N	303.402	3.396	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1ccccc1-n1cncn1	769200946	JWYRDJQEUJSXRC-UHFFFAOYSA-N	322.412	3.385	10	20	DGCD	
COCc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773018202	IFRBBSLEDYZPQL-CQSZACIVSA-N	312.413	3.390	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2[C@H]3CCCC[C@@H]3C[C@H]2C)c1O	774888661	RTOBALZHAQPIEK-BZPMIXESSA-N	320.389	3.462	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC3(CCCC3)C2)c1O	775098014	OBWORJVCWGHNBY-UHFFFAOYSA-N	320.389	3.465	10	20	DGCD	
Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1	775835102	FHOOFAMXZYQRHT-HNNXBMFYSA-N	311.429	3.350	10	20	DGCD	
CC(C)(C)Oc1cccc(CNCc2cc(F)ccc2O)n1	779105356	WMVLPAZYVZCRHH-UHFFFAOYSA-N	304.365	3.393	10	20	DGCD	
C[C@H](Cc1ccccc1Cl)NC(=O)c1cccc(O)c1O	790544501	XLZNDMWPZAAJCX-SNVBAGLBSA-N	305.761	3.112	10	20	DGCD	
CCC(CC)(CNCc1c(O)ccc(Cl)c1F)C(=O)OC	792174679	YZFMMBULVWGATP-UHFFFAOYSA-N	317.788	3.254	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	793797616	WERCBCWQHICXGB-CFVMTHIKSA-N	305.418	3.361	10	20	DGCD	
COc1ccc(CNC(=O)c2cnc3ccccc3c2C)c(O)c1	794380476	ZZTIQRNQWYIZGT-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
CCOc1cccc(NC(=O)NCc2ccc(OC)cc2O)c1	797617517	YPXYCVNYZXITPT-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
CCc1nn(C)cc1/C=C1\C(=O)N(C)c2ccc(Cl)cc21	799501551	HHDYPHURXOBXOI-QPEQYQDCSA-N	301.777	3.153	10	20	DGCD	
CC[C@H](N[C@@H](CO)CC(F)(F)F)c1cccc(Cl)c1O	806149439	SNCXOXWMWMEBDA-KCJUWKMLSA-N	311.731	3.400	10	20	DGCD	
CC[C@H](N[C@H](CO)CC(F)(F)F)c1cccc(Cl)c1O	806149440	SNCXOXWMWMEBDA-KWQFWETISA-N	311.731	3.400	10	20	DGCD	
COc1ccc(N2CCN(C(=O)CCCC3CC3)CC2)cc1F	812530872	NFPUVJYGCOUOQO-UHFFFAOYSA-N	320.408	3.063	10	20	DGCD	
O=C(C1CC1)N1CCC(NCc2ccc3ccccc3c2O)CC1	816479631	QFURGIRBBXZEGK-UHFFFAOYSA-N	324.424	3.036	10	20	DGCD	
COc1cccc(O[C@@H](C)CN[C@@H]2CCc3cccc(O)c32)c1	834602819	VDAVMMYTIMYCQM-SUMWQHHRSA-N	313.397	3.445	10	20	DGCD	
Cn1c(CN[C@@H]2CCc3cccc(O)c32)nc2cc(F)ccc21	834654543	OZIQRULYOBEMNS-CYBMUJFWSA-N	311.360	3.195	10	20	DGCD	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)C1	841295554	BENYLJSHOOGAGC-ZCPGHIKRSA-N	317.433	3.062	10	20	DGCD	
COCc1ccccc1CN[C@H](C)c1cccc(OC)c1O	846136686	NBJPWYHMNKPMLR-CYBMUJFWSA-N	301.386	3.398	10	20	DGCD	
CO[C@@]1(C)C[C@H]1N[C@H](C)c1cc(Br)c(F)cc1O	850569860	BMLCRZFQSZGFKO-BLBGDKDGSA-N	318.186	3.122	10	20	DGCD	
CC(C)(CO)[C@H](NC(=O)c1cc(O)cs1)c1cccs1	855112071	WUJABWTWYLIUJC-GFCCVEGCSA-N	311.428	3.005	10	20	DGCD	
C[C@H](NC[C@H]1C[C@@H](O)C1)c1ccc(N2CCCCCC2)cc1	858544947	DVPZRRKAWPBFMG-TXPKVOOTSA-N	302.462	3.489	10	20	DGCD	
COCC1(C)CCN(Cc2cc(F)c(N(C)C)cc2F)CC1	862302996	HCIVZKTWSORXCR-UHFFFAOYSA-N	312.404	3.279	10	20	DGCD	
CC(C)[C@H](NC(=O)N[C@H](C)c1ccccc1O)C(F)(F)F	868530709	PBHRVCIQWRKAMH-SKDRFNHKSA-N	304.312	3.339	10	20	DGCD	
CO[C@](C)(CN(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1	876531850	RCAYMRIUNFIJIX-IEBWSBKVSA-N	319.445	3.188	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@@H]3CCC(F)(F)C3)cc2)CC1	877494913	PZTZIZUQHAZKAP-OAHLLOKOSA-N	324.415	3.173	10	20	DGCD	
COc1cccc(CNC(=O)CCCCc2ccccc2)c1O	896117969	VAXZLNFHCNDACD-UHFFFAOYSA-N	313.397	3.430	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H](c1ccncc1)C1CC1	899019720	LVCMSMYOTJZJBC-QGZVFWFLSA-N	311.385	3.080	10	20	DGCD	
COc1ccc(N2CC[C@@H](NC[C@@H](N)CCC(C)(C)C)C2)cc1	904376545	BCXOGKRXTIEEDJ-JKSUJKDBSA-N	319.493	3.017	10	20	DGCD	
CCc1n[nH]cc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1	917954620	RCJTYWKFWYQLQW-UHFFFAOYSA-N	314.433	3.091	10	20	DGCD	
CCC(=O)N[C@H]1CCCC[C@@H]1CNCc1ccc(OC)c(C)c1	1037121878	GMWFBDLOODKGRU-SJORKVTESA-N	318.461	3.178	10	20	DGCD	
COc1ccc(N2CCC(NCCC3CCOCC3)CC2)cc1	1319200422	HHKLGKGXIHNTTH-UHFFFAOYSA-N	318.461	3.070	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@@H]([C@@H]2CCOC2)C1	1319963779	PHSZJQMHUWRMAZ-QZTJIDSGSA-N	300.446	3.145	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)C[C@H](C)O)c1	1340194204	OBGJHWYICHGWCY-ZDUSSCGKSA-N	320.820	3.200	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](C(=O)O)C1	1594424416	SKZHSXZRMYMCEK-PRHODGIISA-N	318.200	3.384	10	20	DGCD	
Cc1cc(CN(C)Cc2ccc(C(=O)O)cc2)ccc1N(C)C	1600191002	UNLVGRKXXFJNTG-UHFFFAOYSA-N	312.413	3.391	10	20	DGCD	
Cc1cc(CNCc2cc(Cl)ccc2O)ccc1C(=O)O	1600209404	LRNPEEGHKCMDJM-UHFFFAOYSA-N	305.761	3.342	10	20	DGCD	
O=C(O)c1cnc(Sc2ncnc3ccc(F)cc23)s1	1602534752	JQKBVTXUMPGCLD-UHFFFAOYSA-N	307.331	3.075	10	20	DGCD	
Cc1ccc(C(=O)N[C@H]2CCSc3ccccc32)c(O)c1O	179392651	QUCBPNBVVUFMHC-ZDUSSCGKSA-N	315.394	3.373	10	20	DGCD	
CCCCCCNC(=O)[C@H]1CCCN(Cc2ccccc2O)C1	179565567	FDHDCEMRGTZWAO-KRWDZBQOSA-N	318.461	3.301	10	20	DGCD	
COc1cccc([C@H](O)CN[C@@H](C)c2ccc(F)c(F)c2O)c1	187714398	HPKSQDURIGXTTG-ZUZCIYMTSA-N	323.339	3.063	10	20	DGCD	
CCC[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	182904159	NAHBLUDYVDRUDE-WMZOPIPTSA-N	318.461	3.306	10	20	DGCD	
CC[C@H](COC)N[C@@H](C)c1cc(Br)ccc1O	185503765	NQUAIERDFWLYAS-GXSJLCMTSA-N	302.212	3.230	10	20	DGCD	
O=C(c1cccc(O)c1O)N(Cc1ccc(F)cc1)C1CC1	186832741	VZZVUWWAKGFLGY-UHFFFAOYSA-N	301.317	3.042	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(OC)c(OC)c2)cc1F	180775001	KBIUCUDOELGLOZ-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
C[C@@H](Cc1ccco1)NCc1cccc(Br)c1O	42412003	ZSFBLSDZBVYBJJ-JTQLQIEISA-N	310.191	3.469	10	20	DGCD	
CCN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCO1	194009736	GGVRGWUUJIASCV-HNNXBMFYSA-N	307.434	3.396	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(O)CCCCC2)cc1F	236915474	VBSXIVDFHDMUMX-UHFFFAOYSA-N	308.441	3.457	10	20	DGCD	
COc1cccc([C@H](CNCc2cc(F)ccc2O)OC)c1	529640723	XOTKYYKEXBGCKP-KRWDZBQOSA-N	305.349	3.017	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](Cc2ccccc2)C1	366150888	GCLFOKKAMYHLER-HNNXBMFYSA-N	311.381	3.193	10	20	DGCD	
COc1cccc(CNCc2cc(Cl)cc3c2OCC3)c1O	273526110	UIURLKZWIRVCKF-UHFFFAOYSA-N	319.788	3.279	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc(Br)ccc1O)C(C)(C)O	295061464	RFRSNBGKTPCADX-RNCFNFMXSA-N	316.239	3.355	10	20	DGCD	
C[C@H](NC[C@H](O)Cc1cccc(Cl)c1)c1ccccc1O	805747642	DPHJJQONTOSEJB-SWLSCSKDSA-N	305.805	3.300	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)NOC(C)C)cc2)CC1	296775714	XGADVIUWOJZNLE-UHFFFAOYSA-N	305.422	3.062	10	20	DGCD	
Cc1c([C@@H](C)NCCc2ccc(N)cc2)nnn1-c1ccccc1	817955956	MCIUZHVOFQUDHF-CQSZACIVSA-N	321.428	3.051	10	20	DGCD	
O=C(NCc1ccccc1O)NCc1ccccc1C(F)(F)F	726249148	XKUMEWBHNQEUCN-UHFFFAOYSA-N	324.302	3.410	10	20	DGCD	
O[C@H](CNc1ccccc1OCCF)Cc1ccc(F)cc1	819487817	IWQVRWHCMUEPKE-HNNXBMFYSA-N	307.340	3.190	10	20	DGCD	
COc1c(NCc2ccc3ccccc3c2O)cccc1C(N)=O	816566862	JKTDELKTKZBADG-UHFFFAOYSA-N	322.364	3.265	10	20	DGCD	
CCOc1ccc(O)c(CNCC(C)(C)C2(O)CCCC2)c1	825232484	XOYRVXGTVJNGIH-UHFFFAOYSA-N	307.434	3.212	10	20	DGCD	
O=C(NCc1cccc(C(F)(F)F)c1)c1cc(O)cs1	731866890	TZOJZVBNHUPYRB-UHFFFAOYSA-N	301.289	3.403	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnc(C2CC2)s1	734405073	AJMUNKXAGPAEFP-UHFFFAOYSA-N	315.442	3.325	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1cccs1	839914162	RJHMDMUOUSRYIQ-AWEZNQCLSA-N	316.470	3.412	10	20	DGCD	
C[C@H](NC[C@@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1O	834908882	MQDWHOMKZQMYPQ-RMLUDKJBSA-N	317.216	3.018	10	20	DGCD	
CCO[C@H]1C[C@H](NC(=O)c2cc(O)cs2)C12CCCCC2	748339393	NKVDHRUSEKSYFL-KBPBESRZSA-N	309.431	3.311	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(Cl)cn2C)cc1	918112536	BPMZWWMCHODMRV-UHFFFAOYSA-N	319.836	3.455	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C1\COc2ccc(F)cc21	918156378	OUNUMIRGQFNTLT-WYMLVPIESA-N	318.373	3.045	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2cc(C)oc2C)cc1	844852168	MZTZWTILQKWHPN-UHFFFAOYSA-N	316.401	3.113	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccnc(Cl)c2F)c1	845971171	HSSKRKUDSLHQBQ-SECBINFHSA-N	310.756	3.439	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)OC(C)(C)C	842925998	OCZPBJNHGVTXEP-MFKMUULPSA-N	324.377	3.071	10	20	DGCD	
C[C@@H](N[C@@H](CO)Cc1ccccc1)c1ccc(Cl)cc1O	841751540	HVQFRIAKDYVIPD-IUODEOHRSA-N	305.805	3.300	10	20	DGCD	
Nc1ccc(CCNCc2cc(Cl)c3c(c2)OCCO3)cc1	841036844	PUOBUJZBNURLDM-UHFFFAOYSA-N	318.804	3.026	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@](C)(O)C2CCCCC2)c1O	846165035	KMHVMJGNBXMZJJ-FZKQIMNGSA-N	307.434	3.383	10	20	DGCD	
Cc1ccc(O)c(CNCc2cc(F)c(N(C)C)cc2F)c1	858239262	KOIFDBSRCHIYOI-UHFFFAOYSA-N	306.356	3.335	10	20	DGCD	
CCCn1nc(C)c(/C=C2\SC(=S)N(CC)C2=O)c1C	759653663	QRQKLUYFDGYUPS-WQLSENKSSA-N	309.460	3.131	10	20	DGCD	
CCN(C[C@H](O)c1ccccc1F)c1ccc(OC)c(OC)c1	921061264	ANLHWHSOOLDJIL-INIZCTEOSA-N	319.376	3.403	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCO2)[C@H](O)c1cccc(F)c1	921818123	XQVGUZBRAIRZLR-DJJJIMSYSA-N	315.388	3.362	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)CN2CCC(C)CC2)c1O	850543563	MHCVOBAGGMERJY-GJZGRUSLSA-N	306.450	3.172	10	20	DGCD	
C[C@H]1C[C@H](NCCN2CCC[C@@H](C)C2)c2c(O)ccc(F)c21	756414862	JFBOKUICXUDPBP-IPYPFGDCSA-N	306.425	3.401	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1	756661232	ZHISBLNFKOWEHD-ZBFHGGJFSA-N	316.445	3.142	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCc3ccc(O)cc32)cc1F	850386629	KJJDUNBCHIJBGH-QGZVFWFLSA-N	300.377	3.374	10	20	DGCD	
CCc1cccc(NC(=S)NCc2cccc(N(C)C)n2)c1	754692603	PWSDERAYNBPBCP-UHFFFAOYSA-N	314.458	3.197	10	20	DGCD	
O=C(O)[C@@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	864526533	JTWKUJRQIKGXST-KOLCDFICSA-N	304.173	3.042	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2nnc(CC(C)C)s2)c1	860268585	FKRDPSFPVAHCGF-UHFFFAOYSA-N	320.418	3.072	10	20	DGCD	
C[C@H](O)C[C@@H]1CCCCN1Cc1cc(F)c(N(C)C)cc1F	862351268	IMFUKWUTISDDPL-JSGCOSHPSA-N	312.404	3.156	10	20	DGCD	
Cc1nn(C)cc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863165784	NZEMZWGRRGZDAZ-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
COC(=O)c1ccc(CN(C)Cc2cc(Cl)ccc2O)cc1	768782493	IYXAIPGMSCBORM-UHFFFAOYSA-N	319.788	3.464	10	20	DGCD	
Cc1cccn2cc(CNCc3cc(Cl)cc(F)c3O)nc12	777485509	YRUYCJVJHOICGP-UHFFFAOYSA-N	319.767	3.431	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1	773417679	LLOGBMMLQSERJN-DZGCQCFKSA-N	319.449	3.070	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN[C@@H]1CCn2ccnc2C1	778188743	INGMDFADSUHGQH-GOSISDBHSA-N	319.408	3.360	10	20	DGCD	
C[C@@H](NC(=O)N1CCCC2(CC2)C1)c1ccc(N(C)C)cc1	773616641	LBABDANZMQYJTK-CQSZACIVSA-N	301.434	3.399	10	20	DGCD	
COc1nc(C)cc(C)c1CNCc1c(O)cccc1Cl	776163835	LWCTVBMYDFZHKD-UHFFFAOYSA-N	306.793	3.356	10	20	DGCD	
COC(=O)C(C)(C)[C@H]1CCCN(Cc2ccc(C)cc2O)C1	877173971	NCFKMYYAZWTAAZ-HNNXBMFYSA-N	305.418	3.112	10	20	DGCD	
C[C@H](NC(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccc(N(C)C)cc1	773019487	MBVQLWBVRSATIY-KEYYUXOJSA-N	304.434	3.278	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCC(C)(C)CO)c1C	771677894	GRUFWJGNRYFTGH-UHFFFAOYSA-N	314.429	3.151	10	20	DGCD	
Oc1ccccc1CNCc1cnc(CC(F)(F)F)s1	892790753	IFFNPHOKSXFTLQ-UHFFFAOYSA-N	302.321	3.243	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1CCOC2(CCC2)C1	898277299	MCKSOFJHMFHDEY-NSHDSACASA-N	309.793	3.011	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCC1(O)CCC1	793499673	HSTDMCCVOCEXPI-UHFFFAOYSA-N	318.442	3.191	10	20	DGCD	
Cc1cc(-c2csc(NS(=O)(=O)c3ccoc3)n2)c(C)o1	795552505	AGEWZLRTBXGVIN-UHFFFAOYSA-N	324.383	3.414	10	20	DGCD	
CC[C@H](C)n1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C	791582961	KOLJSAPDPSUTDK-IOCXFXADSA-N	315.373	3.226	10	20	DGCD	
CC[C@H](NC[C@@H](CO)Cc1ccco1)c1ccc(C)cc1O	794810553	LUVWSAZWJZNEKO-YOEHRIQHSA-N	303.402	3.186	10	20	DGCD	
CCCC[C@@H](C)C(=O)NCCCNCc1ccc(OC)c(C)c1	1157378073	CBDHJKKRVJXLNK-OAHLLOKOSA-N	320.477	3.426	10	20	DGCD	
CO[C@H](C(=O)Nc1c(Cl)ccc2nonc12)c1ccccc1	1323483493	PEXBTDAOQUGDMS-AWEZNQCLSA-N	317.732	3.202	10	20	DGCD	
Cc1cc(O)c(CN2CCCN3CCC[C@@H]3C2)cc1C(C)C	1320931264	VDENBDCYBWRKME-QGZVFWFLSA-N	302.462	3.494	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](CO)CC2CCOCC2)c(O)c1C	1339285725	BQMWJTCVDODKMX-NVXWUHKLSA-N	321.461	3.085	10	20	DGCD	
Cc1cc(O)c(CNCc2nc(C(C)(C)C)n[nH]2)cc1Cl	1330807684	GGPQYJAESDSZBK-UHFFFAOYSA-N	308.813	3.059	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CCCCC12CCNCC2)c1ccccc1O	1344461435	JFAKYAXYKGJFBR-GOEBONIOSA-N	316.445	3.129	10	20	DGCD	
C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(N)cc1	1353394274	XHDHBQPDBWEFCK-UGSOOPFHSA-N	309.413	3.392	10	20	DGCD	
Cc1noc(C)c1[C@H](C)CN[C@H](C)c1cc(C(=O)O)ccc1O	1610574811	HZFBHKFJSAUEDR-NXEZZACHSA-N	318.373	3.150	10	20	DGCD	
Nc1ccc(CNC(=O)Nc2ccccc2N2CCCC2)cc1	1580445801	WMSAEUMJOAOGTO-UHFFFAOYSA-N	310.401	3.191	10	20	DGCD	
COc1ccc(O)c(CNc2cccc(CCC(=O)O)c2)c1	1594105450	MFKOHJKQYBXFRI-UHFFFAOYSA-N	301.342	3.030	10	20	DGCD	
C[C@@H]1C[C@@H](CNCc2cc(Br)ccc2O)[C@@H](C)O1	686512204	NWYRPXWOQCSKDM-MXWKQRLJSA-N	314.223	3.058	10	20	DGCD	
CCN(CC)c1ccc(CNc2nc(C)nc3c2cnn3C)cc1	54061016	HNSKTJZWENXPQC-UHFFFAOYSA-N	324.432	3.130	10	20	DGCD	
Cc1csc([C@@H](NC(=O)c2ccc(C)c(O)c2O)C2CC2)n1	179517671	ZTAUVERYRLVRPA-LBPRGKRZSA-N	318.398	3.052	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2ccc(F)cc2F)cc1F	121743120	OLIDXHXLWLZKET-UHFFFAOYSA-N	324.302	3.187	10	20	DGCD	
CN(Cc1ccccc1O)c1ccc2cc([N+](=O)[O-])ccc2n1	302610446	DWVLIXYSSUVHST-UHFFFAOYSA-N	309.325	3.485	10	20	DGCD	
CCCO[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)CC1	180180256	KGBZQDQAAUDYJB-HNNXBMFYSA-N	323.433	3.191	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1	314031643	BZVFYERATNXYTP-VQHVLOKHSA-N	304.346	3.463	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c1	185232440	LNZLHXPXCQCHIB-GFCCVEGCSA-N	318.392	3.457	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCCN2C[C@H](C)O[C@H](C)C2)c(O)c1	185206724	SFFWNLMLNYQFHO-IXDOHACOSA-N	320.477	3.241	10	20	DGCD	
COc1cc(O)c(CNC2(C)Cc3ccccc3C2)cc1OC	182663367	WKMKHIFPVIKHAD-UHFFFAOYSA-N	313.397	3.057	10	20	DGCD	
CCN(C)C[C@@H]1CCN(Cc2ccc(N(CC)CC)cc2)C1	93770677	ZZBBBKFAKHSSRU-SFHVURJKSA-N	303.494	3.306	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCCS1	272933628	KUGMRIFQZNWMGI-MRXNPFEDSA-N	305.443	3.173	10	20	DGCD	
CC[C@@H](C)[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	278157885	OZRZMTVOHMZJJW-KBUNVGBDSA-N	316.188	3.047	10	20	DGCD	
CCOc1ccc(O)c(CNCC(C)(C)c2ccccn2)c1	294927881	ZFOVOPQKODGSGT-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
COc1ccc(O)c(CN(C)[C@@H](CO)c2ccc(Cl)cc2)c1	294942114	CJHJSZJPAHZRJR-INIZCTEOSA-N	321.804	3.220	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCCN2CCCCC2=O)c1O	808692997	BWXJBPFOGYMUKJ-ZDUSSCGKSA-N	324.852	3.407	10	20	DGCD	
CC(=O)C(=O)COC(=O)c1c2ccccc2cc2ccccc12	808487609	DUPSHWNIZUNMRT-UHFFFAOYSA-N	306.317	3.308	10	20	DGCD	
CC(C)NCCCN[C@H](C)c1cccc(C(F)(F)F)c1O	817953759	QPHMZUOBZOHNJS-LLVKDONJSA-N	304.356	3.450	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[C@@H](C)COC)cc1	812453774	TUQZDKCBLNKIEX-JKSUJKDBSA-N	320.477	3.410	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)s1	817939117	ZEZGXRIWUUKZNH-CJNGLKHVSA-N	303.475	3.473	10	20	DGCD	
Cc1cc(CN(C)CC2(O)CCC2)ccc1N1CCCCC1	828868515	OKMKIHHNMFWFDY-UHFFFAOYSA-N	302.462	3.332	10	20	DGCD	
CC[C@@H](NCc1cc(Cl)c(C)cc1O)[C@H](O)C(F)(F)F	825390807	LJFRPISMHQSWLY-PWSUYJOCSA-N	311.731	3.145	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1	825112245	SBWOMBOFXNDGJA-CABCVRRESA-N	324.424	3.157	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@@H]1CCCN(CC2CC2)C1	827951071	VLJRXFPOQNLYHO-AWEZNQCLSA-N	308.853	3.257	10	20	DGCD	
COc1cc(CN2CC[C@H](O)C(C)(C)C2)c(O)c(C(C)(C)C)c1	825629024	PLQPFXFPJQYLAX-INIZCTEOSA-N	321.461	3.291	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@]2(C)CCOc3ccccc32)c1	827167132	OEZZWDSHNNMVGK-LJQANCHMSA-N	311.381	3.057	10	20	DGCD	
COc1cc(F)cc(CNCc2ccc(N(C)C)cc2C)c1	823851703	WSHMGTMOLFGWDC-UHFFFAOYSA-N	302.393	3.499	10	20	DGCD	
Cc1ccc2c(c1)N(Cc1cn(C)nc1-c1cccnc1)CC2	679581959	BSVOXWLJNMFOLD-UHFFFAOYSA-N	304.397	3.353	10	20	DGCD	
CN(C)C(=O)C[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1	834530072	AUOVEOBHADBAIN-DLBZAZTESA-N	324.424	3.189	10	20	DGCD	
CCc1cccc(NC(=O)CNCc2cc(Cl)ccc2O)c1	732230691	NQJVVHRVXQUJAJ-UHFFFAOYSA-N	318.804	3.336	10	20	DGCD	
CCCOc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1	916040983	LKPYLJBIOYUBLR-UHFFFAOYSA-N	312.413	3.471	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(CN)cc2F)c2c(O)ccc(F)c21	844923738	JRXYCQUFQDCRJQ-BMIGLBTASA-N	318.367	3.467	10	20	DGCD	
Nc1ccc(Cc2noc(CCCOCc3ccccc3)n2)cc1	843158523	DXELFIQWSOGLBG-UHFFFAOYSA-N	323.396	3.392	10	20	DGCD	
CC(C)(NC(=O)NCCc1ccc(N)cc1)c1cccc(F)c1	841955196	VIQZHIUHWNZMSV-UHFFFAOYSA-N	315.392	3.185	10	20	DGCD	
O=C(NCc1ccccc1OCC1CC1)c1cc(O)cs1	740141982	CJEGDFAYETUCSM-UHFFFAOYSA-N	303.383	3.173	10	20	DGCD	
CCc1cccc(CNC[C@@H](c2cccc(F)c2)N(C)C)c1O	848891693	YAWPZZUVKQWYTN-SFHVURJKSA-N	316.420	3.486	10	20	DGCD	
CCC[C@H](C)S(=O)(=O)NCc1ccc(N(CC)CC)cc1	845823709	KNVGUGPRNXGXJB-AWEZNQCLSA-N	312.479	3.141	10	20	DGCD	
COc1cccc(O)c1CNc1cccc(NC(=O)C2CC2)c1	746715026	UTIBWFDJWIUXOR-UHFFFAOYSA-N	312.369	3.361	10	20	DGCD	
CCOCc1cc(CNC[C@@H]2C[C@@H](C)O[C@H]2C)ccc1OC	840962484	DKKBTNRMXMUINI-YCPHGPKFSA-N	307.434	3.135	10	20	DGCD	
CSC1(CN[C@H](C)c2cc(F)cc(F)c2O)CCOCC1	756733989	SOBRREMVNKXVIP-SNVBAGLBSA-N	317.401	3.233	10	20	DGCD	
O=C1OCC[C@@H]1CCN(Cc1ccccc1O)C1CCCC1	753848605	RTTLMWWHWYXQPP-AWEZNQCLSA-N	303.402	3.090	10	20	DGCD	
CN(C)c1ccc(CN(CC[C@H]2CCCN2C)C2CC2)cc1	759846395	UCUMPRZESRGLQU-GOSISDBHSA-N	301.478	3.201	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](O)[C@@H](C)c2ccccc2)c1O	850571760	AFCMEQVGFSMWCF-GRDNDAEWSA-N	315.413	3.216	10	20	DGCD	
O=C(CCc1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1	768899733	OKWYGKKCCMPZTA-UHFFFAOYSA-N	319.788	3.043	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cocc1C	862003118	YTQBRDNQCGZJBY-CQSZACIVSA-N	300.402	3.323	10	20	DGCD	
CN=[S@](C)(=O)c1cccc(NCc2cc(OC)ccc2O)c1	864014615	TZKNNANRZDEERJ-JOCHJYFZSA-N	320.414	3.099	10	20	DGCD	
C[C@@H](NCC[S@](=O)c1ccccc1)c1ccc(N(C)C)cc1	765905637	AUZWCLNAMRGQLD-QRQCRPRQSA-N	316.470	3.211	10	20	DGCD	
C[C@H](CCC1CC1)NCc1ccc(N2CCN(C)CC2)cc1	768950548	AAUGBAAMSVSQTM-MRXNPFEDSA-N	301.478	3.107	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCN(CC2CC2)CC1	768770888	JULBEUBOJHWLDX-UHFFFAOYSA-N	315.244	3.227	10	20	DGCD	
CC[C@@H](CCO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	768858634	MTJINRSFKYVVSF-INIZCTEOSA-N	314.429	3.293	10	20	DGCD	
CCOCCONC(=O)c1cc(C)ccc1-n1c(C)ccc1C	775236808	QSLFFIIIFRVUQE-UHFFFAOYSA-N	316.401	3.100	10	20	DGCD	
C[C@@H]1[C@H](N2CCCC2)CCN1Cc1ccc(N2CCCC2)cc1	1117582786	BALNORPQUOZHNN-YLJYHZDGSA-N	313.489	3.345	10	20	DGCD	
CC[C@@H](NC[C@H]1C[C@H](O)C1)c1ccc(C(F)(F)F)cc1O	872125953	ICLWJCONBGQJSC-IRUJWGPZSA-N	303.324	3.223	10	20	DGCD	
COC(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1	775831440	SCJOVOUYVWQZBW-CQSZACIVSA-N	312.413	3.390	10	20	DGCD	
CN(CCOc1ccccc1)Cc1ccc(N(C)C)c(F)c1	771928535	ICZBPCXWZQETTB-UHFFFAOYSA-N	302.393	3.403	10	20	DGCD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	779527186	CNHCIJSXXZVVTK-FROLJDDGSA-N	303.402	3.442	10	20	DGCD	
Cc1nnc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)s1	788736527	VMCSFUDHXKPVOJ-SSDOTTSWSA-N	317.336	3.422	10	20	DGCD	
CC(C)[C@H](CC(F)(F)F)NCc1cc([N+](=O)[O-])ccc1O	782543220	FYIHHZZHPATYEW-NSHDSACASA-N	306.284	3.367	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](CCCO)c2ccccc2)c1O	894285991	XEMQPIZIJLNSAI-KRWDZBQOSA-N	315.413	3.313	10	20	DGCD	
COc1cc(C)cc(CNc2cccc(OC)c2OC)c1O	895773113	ADWZUWITSGELRT-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
CCOC(=O)C1(CNCc2ccc(N(C)C)c(F)c2)CCCC1	792194814	HSCPORRWBILWRB-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
CCn1cc(C(=O)NCc2ccc(OC)cc2O)c2ccccc21	794377252	QJBZXLYMSBVYLV-UHFFFAOYSA-N	324.380	3.305	10	20	DGCD	
C[C@H]1SCC[C@@H]1NCc1c(O)cccc1Br	706871994	BAZPFESCJROXGZ-KCJUWKMLSA-N	302.237	3.138	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCCC2(CCNCC2)C1	1326518864	MKEZMUJSOTUZDM-UHFFFAOYSA-N	313.489	3.252	10	20	DGCD	
COc1cc(C)cc(CNc2ccc([S@](C)=O)cc2)c1O	1338235039	QUGULTSFBMGHSY-NRFANRHFSA-N	305.399	3.059	10	20	DGCD	
COc1cc(C)cc(CNc2ccc(C(=O)N(C)C)cc2)c1O	1331549019	MZFTZQUYTKRTLP-UHFFFAOYSA-N	314.385	3.023	10	20	DGCD	
CCc1ncc(C(=O)Nc2c(Cl)ccc3nonc23)s1	1342951182	LAJCOWFJWIZUQI-UHFFFAOYSA-N	308.750	3.147	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@]2(C)CCCC[C@@H]2C(=O)O)c1O	1607656258	VENDQLOVKYZSHF-CZUORRHYSA-N	311.809	3.477	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1CC[C@@H](C(=O)O)c2ccccc21	1600604608	MPYZAGOVCDLPTJ-MWWKQMNYSA-N	322.364	3.008	10	20	DGCD	
CC(C)(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	165400757	KBGIIHRRACFLRA-LGMDPLHJSA-N	320.392	3.446	10	20	DGCD	
NC(=O)c1ccc(Cl)c(NCc2c(O)cccc2Cl)c1	127259444	JCIOFYVBIIVIOU-UHFFFAOYSA-N	311.168	3.410	10	20	DGCD	
COCC1(NCc2cc(Cl)cc(Br)c2O)CC1	708135234	YHRLSEBVWPJMIC-UHFFFAOYSA-N	320.614	3.077	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(Br)cc2O)C[C@@H](C)O1	708351419	XQCQPQMPBCZSGM-MFKMUULPSA-N	314.223	3.154	10	20	DGCD	
Cc1ccccc1CNC(=O)N(C)Cc1ccc(N(C)C)cc1	55047396	DHHMFGSTEBGFJP-UHFFFAOYSA-N	311.429	3.403	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C)cc2F)c1	114565702	SQOLNOMFMDMNCI-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CCNC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1	171973293	CVLGIKKQLFAICE-UHFFFAOYSA-N	324.428	3.044	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CC[C@@H](C)O1	175866924	KIDLWXXCYUKGCD-GDBMZVCRSA-N	305.418	3.479	10	20	DGCD	
CO[C@@H](C)CCC(=O)NCc1ccc(N2CCC(C)CC2)cc1	183453647	NFIGUGSDFMITIL-INIZCTEOSA-N	318.461	3.354	10	20	DGCD	
CSCCCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	186194797	PZHDICHJJQEGAT-UHFFFAOYSA-N	323.506	3.427	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC(C)(C)C1	186397519	JHWDZMLUXBQINM-OCCSQVGLSA-N	305.418	3.361	10	20	DGCD	
C[C@@H]1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C[C@@H]1C	317184467	NKGUFOQJDMUWEO-XCOQAZTISA-N	304.346	3.175	10	20	DGCD	
C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(N2CCCCC2)cc1	187677685	FUBFMVSMGVPDDH-WBAXXEDZSA-N	302.462	3.487	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1cccs1	183427222	VHXAVSIDYHDIOR-LBPRGKRZSA-N	319.426	3.229	10	20	DGCD	
Oc1cccc(Cl)c1CNc1cccc(-n2ccnn2)c1	136828938	BIFMKECMHKJKBR-UHFFFAOYSA-N	300.749	3.238	10	20	DGCD	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N)cc1	236831376	XJZILQVTJRHRAO-GOSISDBHSA-N	321.380	3.172	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2Cc3ccccc3NC2=O)c(O)c1C	528001801	PWUOJJHLIJFDGB-SUMWQHHRSA-N	310.397	3.223	10	20	DGCD	
CC[C@@H](CN[C@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	296571281	SWXIDACTFLHHCO-KBPBESRZSA-N	320.433	3.272	10	20	DGCD	
COC[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1	266069601	WPJSEFQYGWTYEY-INIZCTEOSA-N	312.413	3.203	10	20	DGCD	
Cn1ccnc1[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1	365821337	PYOZXPUFEBSEFA-CYBMUJFWSA-N	305.809	3.159	10	20	DGCD	
O=C(c1ccccc1)N1CC[C@@H](CSc2nccs2)C1	282259197	RZUCTRGWCWYNHI-GFCCVEGCSA-N	304.440	3.398	10	20	DGCD	
CN(C)C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1	290192248	TUTOIPMMPHJTLV-GOSISDBHSA-N	314.404	3.153	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2c(C)cc(C)cc2O)c(OC)n1	294352881	PZBBWTZBPUMFFC-ZDUSSCGKSA-N	316.401	3.272	10	20	DGCD	
CCOc1ccc(C(=O)NCc2ccccc2O)cc1OCC	299463012	CLLBMCDXJDIOEG-UHFFFAOYSA-N	315.369	3.120	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(O)cs1	807838409	QLRDQNXKLMNDCR-UHFFFAOYSA-N	318.181	3.396	10	20	DGCD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NCCc1ccc(N)cc1	818544613	CMIKPZKRKYVISZ-ZDUSSCGKSA-N	316.832	3.460	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ccc(F)c(NC(N)=O)c2)c1	815632157	FABOTYDNVQBVKV-SECBINFHSA-N	319.336	3.204	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC2(CCNCC2)C[C@H]1C	818430897	BABMAXNRRUYRFK-MRXNPFEDSA-N	301.478	3.025	10	20	DGCD	
c1ccc2c(c1)COCCN2Cc1ccc(N2CCOCC2)cc1	811508547	VWZWIMQWUYDLNI-UHFFFAOYSA-N	324.424	3.060	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3C[C@H](C)O[C@H](C)C3)CC2)cc1	823758176	UCIAODUGTNJMJZ-QLPKVWCKSA-N	318.461	3.210	10	20	DGCD	
CCN(C(=O)/C=C/c1cncc(F)c1)c1cccc(OC)c1	491518327	BRWAIAHUYKGNLY-BQYQJAHWSA-N	300.333	3.296	10	20	DGCD	
Cc1nc([C@@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1	839459530	NGYMKMLQLVRQFB-CQSZACIVSA-N	313.449	3.296	10	20	DGCD	
C[C@@H]1CCC[C@@H](CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1	832278449	CFSPTFWGOMJOQW-IIDMSEBBSA-N	317.477	3.085	10	20	DGCD	
O=C(NCC[C@@H]1CCc2ccccc21)c1c(F)ccc(O)c1O	833398752	KKXDJVJJAOTBPN-LBPRGKRZSA-N	315.344	3.087	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(OC)c2C)c1	830540592	MEJSRUMCPFTBNF-GFCCVEGCSA-N	315.369	3.209	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C2CCC2)C2CC2)c1	836687677	WLGNASRKAMTLHZ-GTNSWQLSSA-N	318.417	3.340	10	20	DGCD	
Cc1ncc(CNC(=O)c2sccc2-n2c(C)ccc2C)o1	837973296	LHWDZDFFUGPMPJ-UHFFFAOYSA-N	315.398	3.382	10	20	DGCD	
COc1ccc(CC[C@H](C)NCCc2ccc(N)cc2)cc1O	841037967	DVNCEVFEROLNAT-AWEZNQCLSA-N	314.429	3.136	10	20	DGCD	
CC1(C)CC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	840756837	DBAHBFVQRJFYSM-HNNXBMFYSA-N	310.388	3.080	10	20	DGCD	
CCCCO[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)C1(C)C	748958726	GRRSOMQLEYHWJQ-CVEARBPZSA-N	320.433	3.175	10	20	DGCD	
CN(C)c1ccc(CN2CCC(C)(N)CC2)c(C(F)(F)F)c1	843108905	WAPJKHRQLKZLKR-UHFFFAOYSA-N	315.383	3.085	10	20	DGCD	
COc1cc(C)cc(CN2Cc3ccc(C(C)=O)cc3C2)c1O	840174684	NTDVEDQMMMUVLS-UHFFFAOYSA-N	311.381	3.428	10	20	DGCD	
CCOc1ccc(NC(=O)NCCc2ccc(N)cc2)c(C)c1	841067283	MTXSRCKKFIFLPX-UHFFFAOYSA-N	313.401	3.340	10	20	DGCD	
COc1cccnc1CNC(=S)Nc1ccc(C)cc1C	840825938	NJEXHPLEZOIAJR-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
Oc1ccc2ccncc2c1CN1C[C@]2(CCCO2)[C@@H]1C1CC1	840095851	JFWSTRYPDSNXQW-RBUKOAKNSA-N	310.397	3.084	10	20	DGCD	
CCOc1ccc(N(C)C[C@H](CN)c2ccc(OC)cc2)cc1	842472583	FTNAGAAFQMUWDS-INIZCTEOSA-N	314.429	3.273	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)c1	858349697	NJAPWAYAPRJBRK-HZPDHXFCSA-N	320.433	3.094	10	20	DGCD	
O=C(CC(F)(F)F)Nc1c(-c2ccccn2)nc2ccccn12	751302124	JDZMXOZHKJDCKI-UHFFFAOYSA-N	320.274	3.287	10	20	DGCD	
COc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1C	850416668	NVYWFKORWJKYKW-UHFFFAOYSA-N	302.393	3.499	10	20	DGCD	
C[C@@H](NCc1ccon1)c1cc(Br)cc(F)c1O	756635740	HIHIAHHMTZQDKN-SSDOTTSWSA-N	315.142	3.133	10	20	DGCD	
COC[C@H](N[C@H](C)c1ccccc1O)c1cccc(OC)c1	850515177	UBCCMHJETZWKAD-DYVFJYSZSA-N	301.386	3.439	10	20	DGCD	
COC[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	755081398	HVRRKCNVIZXWAD-INIZCTEOSA-N	318.461	3.308	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(F)c1O	930905491	HJHJCQYZBBBMLI-UHFFFAOYSA-N	316.376	3.260	10	20	DGCD	
C[C@@H](CCOC(=O)c1cccc(O)c1O)OCc1ccccc1	758558905	OGSXHGZKZKMFIL-ZDUSSCGKSA-N	316.353	3.250	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@@H](C)c1cc(F)ccc1O	757653538	JIHYGISANNIZBA-JSGCOSHPSA-N	307.365	3.423	10	20	DGCD	
CCOC(C)(C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	864637041	GTJCXGSEVMBTFI-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1nncs1	930755185	YQVNJFLFGIBADS-CYBMUJFWSA-N	303.431	3.382	10	20	DGCD	
C[C@H](CN[C@H]1C[C@H](C)c2c(F)ccc(O)c21)CC1(C)OCCO1	866426268	XIUMRJLXNNQFQZ-OBJOEFQTSA-N	323.408	3.458	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)[C@H](C)C1	763477288	FSEFLHOTVZKHBC-GDBMZVCRSA-N	316.445	3.106	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)COc2ccccc2F)c1O	1119444051	ZITSARHDDHNDTL-CYBMUJFWSA-N	319.376	3.405	10	20	DGCD	
Cc1ccccc1C1(CNC(=O)c2ccc(C)c(O)c2O)CC1	770484227	BKOWHMOTFIPIPE-UHFFFAOYSA-N	311.381	3.176	10	20	DGCD	
COC[C@H](C)n1ccc(NCc2cc(F)c(N(C)C)cc2F)n1	1118804494	LXDXRILUXNCZQC-NSHDSACASA-N	324.375	3.047	10	20	DGCD	
CN1Cc2ccccc2[C@@H](NCc2cc(Cl)cc(F)c2O)C1	776254413	UZXXDLAYVWWIHG-INIZCTEOSA-N	320.795	3.461	10	20	DGCD	
CC(C)CN(C(=O)CN[C@H](C)c1ccc(N(C)C)cc1)C1CC1	775834516	UMWFIEIZNLLJSF-OAHLLOKOSA-N	317.477	3.050	10	20	DGCD	
CC[C@H](N[C@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1	886799030	LPANPTQWMGCNQD-UONOGXRCSA-N	304.356	3.107	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)s1	773748526	LMZCYOMMGPVULB-SECBINFHSA-N	305.399	3.137	10	20	DGCD	
CCOC(=O)[C@@H]1CCCCN1Cc1ccc(N(C)CC)cc1	773732842	UEYFFPZSJZGFPM-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
COC(=O)c1sccc1CN[C@@H](C)c1ccc(N(C)C)cc1	775829244	XTSXEGFPVFTGTD-LBPRGKRZSA-N	318.442	3.452	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@H](c1ccco1)N1CCCC1	882879032	DKBVLMIAMFLGRE-OAHLLOKOSA-N	322.355	3.190	10	20	DGCD	
Cn1nccc1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	775660773	YFGBQVVSNWOPMA-LLVKDONJSA-N	323.799	3.298	10	20	DGCD	
COC(=O)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1C	787421490	SGNGOPDWTUHEML-CRAIPNDOSA-N	316.445	3.060	10	20	DGCD	
C[C@@H]1Cc2cc(/C=C3\SC(=S)N(C4CC4)C3=O)ccc2O1	899260404	FVZWDVUOTOAKEA-ZJTXEKFPSA-N	317.435	3.374	10	20	DGCD	
Cc1ccc([C@@H]2COCCN2Cc2cc(F)cc(F)c2O)o1	894032478	KBVBDRSRHBNIBS-AWEZNQCLSA-N	309.312	3.145	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@@H](N2CCCCC2)C1	1204327379	RPFOWQZPPNNUSB-HXUWFJFHSA-N	313.489	3.347	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c(Cl)c1	740701195	ZICKFWCYRFKLHO-UHFFFAOYSA-N	311.790	3.463	10	20	DGCD	
COc1ccc(CNCc2cc(F)cc3cccnc23)c(O)c1	793387223	AVTKMVUCSQSUBL-UHFFFAOYSA-N	312.344	3.378	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(C)cc(Cl)c2)c(O)c1	794377422	NXLWKEUBPHNRPI-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
COc1ccc(CN[C@H]2CCN(C(=O)C=C(C)C)[C@@H]2C)cc1C	985919228	CLRMCYOZBIXQLH-WBVHZDCISA-N	316.445	3.049	10	20	DGCD	
Cc1cc(NC(=O)c2ccc(C3=S=CC=C3)s2)sn1	1325193207	JVTHVVQRWGTJMH-UHFFFAOYSA-N	306.437	3.391	10	20	DGCD	
CO[C@H](CN[C@H]1C[C@H](C)c2c(C)ccc(O)c21)C(F)(F)F	1254729761	LYSIGILZGIIIJR-JBLDHEPKSA-N	303.324	3.416	10	20	DGCD	
O=C(O)[C@H](CC1CCCCC1)NCc1ccc(F)c(F)c1O	1601645864	IBRHNTNVNCPDOF-ZDUSSCGKSA-N	313.344	3.184	10	20	DGCD	
Cc1ccc(CN2[C@H](C(=O)O)CC[C@H]2c2ccccc2)c(O)c1	1600415088	AHBNIPIXBJLMAV-IRXDYDNUSA-N	311.381	3.491	10	20	DGCD	
Cc1c([C@H](C)NCc2cc(Br)ccc2O)cnn1C	227437309	TZCYYDBASXXUGK-VIFPVBQESA-N	324.222	3.047	10	20	DGCD	
C[C@H](Nc1cccc(C2CC2)n1)c1cccc(-c2nn[nH]n2)c1O	1589983985	IGWQEVWMMVGSHK-JTQLQIEISA-N	322.372	3.018	10	20	DGCD	
CC(C)c1ccc(O)c(CN[C@@H](CC(F)(F)F)C(=O)O)c1	1591973917	JOPHUHPAPYFOAI-NSHDSACASA-N	305.296	3.011	10	20	DGCD	
CCOCCN(CC)Cc1c(O)cccc1Br	707167347	YIRFTOSDVWYOOZ-UHFFFAOYSA-N	302.212	3.013	10	20	DGCD	
COc1ccccc1CC(=O)NCc1ccc(N2CCCC2)cc1	28046879	KKKONBHUVXELLO-UHFFFAOYSA-N	324.424	3.154	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C2CC2)[nH]n1	45056069	JVXRTIHDAUTDOZ-UHFFFAOYSA-N	312.417	3.015	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)C[C@H]2CCCCO2)c1O	48949093	YZGOBBYNKBZSSV-CQSZACIVSA-N	311.809	3.249	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](C)C1	54150379	CULAGUINNRBKCO-CYBMUJFWSA-N	304.415	3.017	10	20	DGCD	
O[C@@H](CNCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1	77325652	NZFIWYOZMISWCT-INIZCTEOSA-N	303.789	3.098	10	20	DGCD	
Cc1cnc([C@H](C)NC(=O)N(C)Cc2ccccc2O)s1	79081431	POFNHPVVSNLYGW-NSHDSACASA-N	305.403	3.060	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c1C	81766427	XSGLTGASIQQYSD-DLBZAZTESA-N	324.424	3.069	10	20	DGCD	
CC[C@H](NCc1cccc(C(N)=O)c1)c1ccc(N(C)C)cc1	122250138	WMVJECOQBFKJLI-SFHVURJKSA-N	311.429	3.092	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H]2C=C[C@H](CO)C2)c1	151796565	YFXCVTNTIHEATL-DLBZAZTESA-N	324.424	3.069	10	20	DGCD	
CCC[C@H](C)CS(=O)(=O)NCc1ccc(N2CCCC2)cc1	172088790	DQGAORTXOBUSCZ-HNNXBMFYSA-N	324.490	3.142	10	20	DGCD	
C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1O	179900692	OPQCLWPGUVMXGQ-SECBINFHSA-N	324.302	3.099	10	20	DGCD	
CCOc1cccc(CN2CCOC3(CCCCC3)C2)c1O	179935053	ODJSKVSUGMCUQC-UHFFFAOYSA-N	305.418	3.326	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](CCO)C2CCCCC2)c1O	181501041	RSLCDJAPRWBJDY-KRWDZBQOSA-N	323.408	3.155	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)C1(CC)CC	193129710	IDASIWHHACTCOG-GJZGRUSLSA-N	321.417	3.154	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2cccnc2-n2cccn2)c(O)c1C	273298332	APQAZJLOEKFZLY-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
Cc1nccn1CCN[C@@H](C)c1cc(Br)ccc1O	273559468	HSXHJDZJWRICOC-JTQLQIEISA-N	324.222	3.010	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)c1ncn(C)n1	275789624	XANCGFKWSWPGCP-CABCVRRESA-N	313.449	3.217	10	20	DGCD	
CC[C@H](C)CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	285147505	RLKBWXHQNYPOKJ-AWEZNQCLSA-N	322.424	3.105	10	20	DGCD	
C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1cc(Cl)ccc1O	290399540	SUDFHXRVUYSZDA-NCHVAJSOSA-N	319.788	3.191	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2nc(C)oc2C)cc1F	292927537	DYQAXSZEQQDXMY-UHFFFAOYSA-N	319.380	3.207	10	20	DGCD	
CC[C@@H](NCc1cc(Br)cc(C)c1O)C(C)(C)O	293659188	NQSDMBHBDNKESB-GFCCVEGCSA-N	316.239	3.102	10	20	DGCD	
Cc1cc(O)c(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1C	293702109	RQDGCCAYOUMPTM-GOSISDBHSA-N	301.430	3.400	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNC(C)(C)CO)cc1	294969347	FJSZXVUZNMVQBN-UHFFFAOYSA-N	304.459	3.245	10	20	DGCD	
C[C@@H](CC(C)(C)O)N[C@@H](C)c1ccc(Br)cc1O	296552928	RQJVQXOIYLXGBO-UWVGGRQHSA-N	316.239	3.355	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1	298720578	OKUDKEFWRWVMGD-UHFFFAOYSA-N	323.440	3.016	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)CC=CCC1	410533466	JLSPNEBYJHXIAF-GOSISDBHSA-N	300.402	3.224	10	20	DGCD	
CC(C)(C)c1ncc(/C=C\C(=O)N2CCc3ccncc32)s1	492399932	PUXUALUWWKKIKH-PLNGDYQASA-N	313.426	3.438	10	20	DGCD	
COCCN(C(=O)/C=C\c1cnc(C)s1)c1ccccc1	493871208	OVALNMWUJIFNFF-HJWRWDBZSA-N	302.399	3.144	10	20	DGCD	
Cc1cccc(C)c1CC(=O)N1CCOc2cc(N(C)C)ccc21	538556523	LQAVERQPVZNQIL-UHFFFAOYSA-N	324.424	3.338	10	20	DGCD	
NC(=O)C1(NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1	588460144	OEUNDBSDGLLABX-UHFFFAOYSA-N	323.356	3.241	10	20	DGCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)NCC1CCC1	731847153	FQBBGUVODVQUOS-UHFFFAOYSA-N	316.445	3.053	10	20	DGCD	
CCN(CC)C[C@H]1CCN(Cc2c(O)ccc3ccncc23)C1	743387916	PLSNRZGUKQXPAA-OAHLLOKOSA-N	313.445	3.104	10	20	DGCD	
Cn1nc(CNCCCSc2nccs2)c2ccccc21	752265677	NUEPMUIHVXJWHR-UHFFFAOYSA-N	318.471	3.302	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1ccsc1)c1cc(F)cc(F)c1O	756603777	KWGWBVKZRQJPMP-PSLIRLAXSA-N	313.369	3.290	10	20	DGCD	
COc1cccc(O)c1CN(C)CCOc1ccccc1C	768212594	MLHVIONTOFENOX-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
CCOc1cccc(CNCc2ccnc(SC)c2)c1O	771879549	BOUXGQPRJXEUMG-UHFFFAOYSA-N	304.415	3.198	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@H](C)O1	773623367	HUTYISRCBOIGKP-CKEIUWERSA-N	319.449	3.023	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@H]3CCC(C)(C)C3)CC2)cc1	781559588	NYXYZJKHAKYBJK-HNNXBMFYSA-N	316.445	3.170	10	20	DGCD	
C[C@@H]1CC[C@H]1N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	783244268	FOSUAYNJBVDWKD-UHOFOFEASA-N	308.853	3.398	10	20	DGCD	
C[C@@H](NCc1ccccc1Cn1ccnc1)c1ccccc1O	783498864	JKZZBTYWEIWJLV-OAHLLOKOSA-N	307.397	3.488	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H](C)C2CCCCC2)c(O)c1	792954847	CGAQLNTYRRRZDG-LBPRGKRZSA-N	306.406	3.169	10	20	DGCD	
Cc1nc2ccc(NCc3cc(Cl)cc(Cl)c3O)nn2n1	808088746	BFSKXPXIEIOZPG-UHFFFAOYSA-N	324.171	3.057	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ncc(CN(C)C)s1	809635166	DUHRYUSFPYAHHW-UHFFFAOYSA-N	317.458	3.166	10	20	DGCD	
C[C@@H](NCC[C@@H]1CCNC1)c1ccc(Cl)c(Cl)c1O	817955133	QTMQFUJSTOSYKQ-ZJUUUORDSA-N	303.233	3.349	10	20	DGCD	
CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CC(F)(F)C1	821070969	RICXIIVEFSCJFY-UHFFFAOYSA-N	309.356	3.323	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@H](C)[S@]1=O	825886828	QQVPFVHTYVVBCR-SZZPBAKOSA-N	315.866	3.085	10	20	DGCD	
C[C@@H](NC[C@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1O	834887021	XOWSNIUFRCTVFF-NXEZZACHSA-N	300.305	3.386	10	20	DGCD	
O=C(COCC1CCCC1)NCc1c(O)ccc2c1CCCC2	836778865	KIIOPUXZJAHCES-UHFFFAOYSA-N	317.429	3.094	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCC2(CCNCC2)C1	843120171	HLNAGHGVDWILKA-UHFFFAOYSA-N	313.489	3.252	10	20	DGCD	
C[C@H](NCc1cccnc1N1CCCC1)c1cc(F)ccc1O	850501986	QUHGDFKEJAOBNK-ZDUSSCGKSA-N	315.392	3.377	10	20	DGCD	
CC1(C)CN(C(=O)Cc2ccc(N)cc2)[C@@H]1c1cccs1	852872352	DZEWENJVYOOSMD-MRXNPFEDSA-N	300.427	3.483	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H]2CCCN(CC3CC3)C2)c(O)c1	853239282	DHWZJFUJTWHIMY-NVXWUHKLSA-N	302.462	3.473	10	20	DGCD	
COCCN(Cc1ccnc(C)c1)c1ccc(OC)c(OC)c1	856730600	FZSIRHWBRAPOEN-UHFFFAOYSA-N	316.401	3.060	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cnn(CCC(C)C)c2C)c1	862758436	ZAXVGLRYGWCNDY-UHFFFAOYSA-N	315.417	3.182	10	20	DGCD	
CCOc1cccc(NC(=O)N[C@H](C)c2ccccc2O)n1	879205203	GAGMTZQEBUOGRM-LLVKDONJSA-N	301.346	3.069	10	20	DGCD	
C[C@H](NCc1cnn(CC2CCC2)c1)c1c(O)cccc1F	903240622	VUSXYZULLFTVIW-LBPRGKRZSA-N	303.381	3.379	10	20	DGCD	
COC(=O)[C@H](C)N(Cc1ccc(N2CCCC2)cc1)C1CCC1	1321075982	QCFVMXLQGQVTKS-HNNXBMFYSA-N	316.445	3.203	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCN(C2CC2)C1	1325129282	XJQRLMWMRFOTOA-QGZVFWFLSA-N	313.489	3.203	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCOC[C@@H]1C1CCC1	1326323747	MTVJYZMTVVWSPF-LJQANCHMSA-N	300.446	3.288	10	20	DGCD	
O=C(NC/C=C\C1CC1)NCc1cc(Cl)cc(Cl)c1O	1330853647	JOUOHSSHYHECPA-UPHRSURJSA-N	315.200	3.464	10	20	DGCD	
Cc1sc([C@H]2CCCN2Cc2ccccc2O)nc1C(=O)O	1600882402	DKQPQWHOZUNBJB-GFCCVEGCSA-N	318.398	3.192	10	20	DGCD	
CCOc1cccc(CNc2ccc(C)c(C(=O)O)c2)c1O	1610044804	KBMKLVRLLHKLSM-UHFFFAOYSA-N	301.342	3.410	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)O)c(C)c1	1776856581	BVUWMZKQPGVEAK-JOCBIADPSA-N	316.445	3.040	10	20	DGCD	
COC(=O)c1cc(CN2CCCc3cc(OC)ccc32)oc1C	27959733	RTYIFNGFNDNARN-UHFFFAOYSA-N	315.369	3.336	10	20	DGCD	
Cc1cccc(OCCNC(=O)[C@@H](C)Sc2nccs2)c1	52914377	ROWFSCHHVNRONZ-GFCCVEGCSA-N	322.455	3.127	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccccc1O)Cc1cccc(F)c1	74824537	PSGPIWAQNVOORC-CYBMUJFWSA-N	301.361	3.416	10	20	DGCD	
CCCCCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	120689008	ATDJIQAPHPLHGJ-UHFFFAOYSA-N	322.424	3.249	10	20	DGCD	
C[C@H](NCCc1ccccc1)c1ccc(N2CCOCC2)cc1	123429478	QTTDSMAGBVWIEW-KRWDZBQOSA-N	310.441	3.417	10	20	DGCD	
Oc1cccc(Cl)c1CNc1ccc(-n2nccn2)cc1	149175465	GFVRFXFHWCPEBH-UHFFFAOYSA-N	300.749	3.238	10	20	DGCD	
CC[C@H](NCCNC(=O)c1ccccc1F)c1ccccc1O	155256548	NGVVHAJFGRHFGU-INIZCTEOSA-N	316.376	3.002	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)n1-c1ccccc1	155317189	UPPJXDPWSOVNTE-NXHRZFHOSA-N	310.397	3.144	10	20	DGCD	
Cc1[nH]ccc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	176320178	FQMWRAPUGAVDFX-UHFFFAOYSA-N	311.429	3.489	10	20	DGCD	
COc1cccc(CN(C)c2ccc3c(c2)OCO3)c1OC	180761804	QFMDPQLSULNBOC-UHFFFAOYSA-N	301.342	3.069	10	20	DGCD	
COc1ccccc1C(C)(C)NC(=O)c1ccc(C)c(O)c1O	182356095	GHQOGCZPHUXXOS-UHFFFAOYSA-N	315.369	3.080	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](C)c2cccc(F)c2F)c(O)c1O	182965387	WXMXEBJOKBMKAP-SECBINFHSA-N	307.296	3.175	10	20	DGCD	
C[C@@H](NCCc1nc2cc(F)ccc2n1C)c1ccccc1O	183609264	WWIKTQFVSGWJAB-GFCCVEGCSA-N	313.376	3.311	10	20	DGCD	
COC[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccco1	184561350	NDMVYEUGSFUXDR-AWEZNQCLSA-N	323.776	3.319	10	20	DGCD	
Cc1ccc(O)c(CNC2CCC(O)(c3cccnc3)CC2)c1	185694851	RVFLBFFQOHHUBD-UHFFFAOYSA-N	312.413	3.016	10	20	DGCD	
CC[C@H](CNCc1cccc(C)c1O)NC(=O)OC(C)(C)C	227714094	VJJRMUFNYXHAAF-CQSZACIVSA-N	308.422	3.094	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)c1cccc(F)c1	267180339	KANYPYIZICFYJA-KZULUSFZSA-N	320.383	3.243	10	20	DGCD	
Nc1ccc(CC(=O)Nc2cc([C@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1	269217358	LEDHQOWVNHCADD-YDHLFZDLSA-N	310.401	3.077	10	20	DGCD	
Cc1cc(O)c(CNc2ccc3c(c2)N(C(N)=O)CC3)cc1C	278809301	SEMVMFLRZQSJKK-UHFFFAOYSA-N	311.385	3.062	10	20	DGCD	
Cc1nn(-c2ccccn2)c(C)c1CN(C)Cc1ccccc1O	282789472	LTKKXVNGYTZHBS-UHFFFAOYSA-N	322.412	3.222	10	20	DGCD	
CC[C@@H](NCCCOC[C@@H]1CCCO1)c1ccc(F)cc1O	285771054	SUVXNPRPWZUFAM-GOEBONIOSA-N	311.397	3.158	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2COc3ccccc3[C@@H]2O)c(O)c1C	290490624	XTTPYHWLMVXZOC-AXHNFQJDSA-N	313.397	3.154	10	20	DGCD	
Cc1cc(Cl)cc(CNCc2ncccc2N(C)C)c1O	290994565	AFOMXFZGBDQPRR-UHFFFAOYSA-N	305.809	3.105	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(-n3ccnc3)nc2)c(O)c1C	363862771	ZCTUTRCVNIHOTP-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
Cc1nc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2o1	588403189	AQFNWVUSBXRPLD-CLTKARDFSA-N	310.309	3.199	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C[C@@H]1COc2ccccc2O1	726981091	MTCAICNSGHCYDU-QGZVFWFLSA-N	312.413	3.024	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(C(C)C)cc2O)c1O	727763988	RNARHXNEUVSFNK-UHFFFAOYSA-N	315.369	3.160	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cc(C(=O)O)co1	737106540	QJODVLLQOWILLO-UHFFFAOYSA-N	302.374	3.066	10	20	DGCD	
O=C(NCc1ccccc1O)NC[C@H]1CCCc2ccccc21	748458758	BONQHUARIKBUTO-OAHLLOKOSA-N	310.397	3.312	10	20	DGCD	
CC(C)CN1CC(=O)N[C@@H]1c1cc(-c2ccccc2)ccc1O	749698897	BCXUKZHHSRQQLR-IBGZPJMESA-N	310.397	3.146	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)OCCC3CC3)cs2)cc1	751931920	QIHSJUPXYWDIKI-UHFFFAOYSA-N	302.399	3.273	10	20	DGCD	
C[C@H](NC[C@H](C)N1CCC[C@@H](C)C1)c1cc(F)cc(F)c1O	756410717	KJTKFRYOCQZGDT-AGIUHOORSA-N	312.404	3.441	10	20	DGCD	
C[C@@H](NC[C@@H]1CSCCS1)c1cc(F)cc(F)c1O	756640157	KEDTYSXKICRMOF-PSASIEDQSA-N	305.415	3.170	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CC=CC1	760210073	DGVSXQQJHVNHSQ-UHFFFAOYSA-N	301.434	3.391	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(CN(C)C)CC2)cc1F	768304101	WTFDHKUJXJIEPX-UHFFFAOYSA-N	321.484	3.446	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CCC2CC2)c1	768969783	QZCAAMUEQJHHRI-RYUDHWBXSA-N	306.406	3.340	10	20	DGCD	
COc1ccc2c(c1)CN(Cc1ccc(N(C)C)c(F)c1)CC2	769119818	DRWQLYKVYJDVFF-UHFFFAOYSA-N	314.404	3.459	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2cccc3cc[nH]c23)c1O	775078380	YIXMCAPWNDDBNW-UHFFFAOYSA-N	313.313	3.402	10	20	DGCD	
CC[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1cc(Cl)ccc1O	775496611	KNDDVHKJZNWWDG-MFKMUULPSA-N	312.841	3.390	10	20	DGCD	
CC[C@H](C)n1nc(NC(=O)NCc2ccccc2O)cc1C	776026593	QAZOACLMSZBVJO-NSHDSACASA-N	302.378	3.190	10	20	DGCD	
Cc1cc(CNCc2cc(Br)cc(C)c2O)no1	776052917	BOLCURQRYGCKTO-UHFFFAOYSA-N	311.179	3.049	10	20	DGCD	
COc1cc(O)c(CNc2ccc3c(c2)COC3)cc1OC	776252402	TUXVKBSLQRVIDI-UHFFFAOYSA-N	301.342	3.052	10	20	DGCD	
COc1cc(C)c(CN(C)c2ccc3c(c2)OCO3)cc1OC	780778700	OXZHOXDAYGQFIK-UHFFFAOYSA-N	315.369	3.377	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@H]2CCCC[C@@H]2C)c(O)c1	792918528	UFKTYSXEGJMAJT-QWHCGFSZSA-N	306.406	3.026	10	20	DGCD	
COc1cc(C)cc(CN2Cc3ccccc3O[C@H](C)C2)c1O	793778176	BEUNDUWFNMQVLO-CQSZACIVSA-N	313.397	3.492	10	20	DGCD	
COc1cccc(O)c1CN1CCC(C)=C(Br)C1	797605879	WURZMXDXJBHEPD-UHFFFAOYSA-N	312.207	3.275	10	20	DGCD	
CN(C)c1ccc(CN(c2ncc([N+](=O)[O-])s2)C2CC2)cc1	799931630	ZXVVBUNIRBZKTJ-UHFFFAOYSA-N	318.402	3.286	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H](C)c2ccsc2)c(O)c1	801066039	JZJCWGFPYMKQFP-JTQLQIEISA-N	306.387	3.023	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H]1CCCOC1	804288951	JKXSYBNGEULDJO-CQSZACIVSA-N	318.442	3.407	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H]2CSC[C@@H]2C)c1O	809702278	FBYIFFQQPQROMP-JOYOIKCWSA-N	316.264	3.304	10	20	DGCD	
CC1(C)[C@H](NCc2cc(Cl)c(F)cc2O)[C@H]2CCCO[C@H]21	816555145	VJZZNZPZNUWYFT-VCTAVGKDSA-N	313.800	3.478	10	20	DGCD	
Cc1ccsc1[C@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817938955	WFFPNQSMCIZVLV-XJKSGUPXSA-N	303.475	3.473	10	20	DGCD	
CC[C@@H](O)CNCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	819291192	RAYYDUOFQLCQDL-DZGCQCFKSA-N	310.869	3.437	10	20	DGCD	
Cc1cc(Cl)cc(CNc2cccc(-c3nn[nH]n3)c2)c1O	826267555	KQKMVUHSOKRNRB-UHFFFAOYSA-N	315.764	3.146	10	20	DGCD	
Cc1ccc([C@H](C)[C@H](O)C(=O)N[C@H](C)c2ccccc2O)cc1	827941319	QFNBNZCUQTWZIP-IYOUNJFTSA-N	313.397	3.042	10	20	DGCD	
CCCC[C@](C)(F)C(=O)N1CCOc2cc(N(C)C)ccc21	829239694	UYUBENVQUVJZIF-KRWDZBQOSA-N	308.397	3.396	10	20	DGCD	
Cc1cnc(CCN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)cn1	834908694	LGYCYWDQSMMROV-YGRLFVJLSA-N	301.365	3.010	10	20	DGCD	
CCc1cnc(CN2CCCc3cc(OC)cc(OC)c32)o1	839656662	QRACGMQZALVMAA-UHFFFAOYSA-N	302.374	3.207	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1(OC)CCC1	840455349	YNHVSRGCKWGZGT-AWEZNQCLSA-N	320.433	3.271	10	20	DGCD	
CCc1ccc(CNC[C@@H](N)c2ccc(N(C)C)cc2)s1	841042384	JBCHRBZQMKLENE-QGZVFWFLSA-N	303.475	3.166	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccc(Cl)cc1O	841752807	CDCBEWZKTVXNPV-VXGBXAGGSA-N	312.841	3.249	10	20	DGCD	
O=C(O)CC[C@@H]1CCCC[C@@H]1NCc1ccc2c(c1)CCO2	841812648	OTUGPZNBOKIHML-HOCLYGCPSA-N	303.402	3.135	10	20	DGCD	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCCc1ccc(N)cc1	841957327	HTLSPSKLVLYYOS-DNVCBOLYSA-N	323.440	3.399	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@H]2CO[C@H](C)C2)c1O	842930716	ZOBZFXQAQMPVIH-JFGNBEQYSA-N	314.223	3.291	10	20	DGCD	
CC(C)(C)C[C@@H]1C[C@H]1NCc1ccc(N2CCOCC2)cc1	846027770	QMYRUXFYIGMRRH-FUHWJXTLSA-N	302.462	3.438	10	20	DGCD	
C[C@H](N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(N(C)C)cc1	848568697	OQBMUPNFLMXWMB-SNRMKQJTSA-N	301.478	3.420	10	20	DGCD	
COc1cc(CNC[C@H]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1	850295498	WKLQROJFJHHODY-ZIAGYGMSSA-N	321.461	3.461	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C	850558713	TXXRUSXEMGZFMP-GJZGRUSLSA-N	318.461	3.307	10	20	DGCD	
C[C@H]1CCCC[C@H]1OCCNC(=O)N[C@H](C)c1ccccc1O	868103155	GDVYCTFSYRNHCN-JJRVBVJISA-N	320.433	3.348	10	20	DGCD	
C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1ccccc1O	875443874	BVFFFNXJPOPICU-CYBMUJFWSA-N	313.401	3.125	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](OCc3ccccn3)C2)cc1C	877645384	JUUARZYOEUKNEW-GOSISDBHSA-N	312.413	3.195	10	20	DGCD	
C[C@@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1O	877755545	DPIPZUCPRRTANS-RHSMWYFYSA-N	313.397	3.411	10	20	DGCD	
C[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(N)cc2)CC1	883570008	QMZVLMAKTLJLLD-HNNXBMFYSA-N	324.428	3.180	10	20	DGCD	
COc1ccc(CN[C@H](C)c2c(O)cccc2F)c(OC)c1	886507465	MCOKUSWSAJHTDL-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
CSC1(CN[C@H](C)c2c(O)cccc2F)CCN(C)CC1	886612189	FKYAJRLIZKIRKP-GFCCVEGCSA-N	312.454	3.009	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H](C)C3)CC2)cc1	1116480351	IWFNNCRAWGPREA-HZPDHXFCSA-N	316.445	3.170	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@H]1C	1320509419	PYQQJFKMXYRFOY-HZPDHXFCSA-N	319.468	3.055	10	20	DGCD	
COc1ccc(CNC[C@@H](C)c2ccc(F)cc2)c(O)c1OC	1335440417	DAOFKKWBPKYJSL-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCCC[C@@H]2N(C)C)cc1	1338889951	YKYOIVNPXBLVJN-MOPGFXCFSA-N	303.494	3.495	10	20	DGCD	
Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N)cc2)n1	1346738659	IXOUAMLWVCDGOC-KRWDZBQOSA-N	310.401	3.019	10	20	DGCD	
COc1ccc(CNCCOC2CCCCCC2)c(O)c1OC	1351998579	SKTLVCJLXXKHSE-UHFFFAOYSA-N	323.433	3.238	10	20	DGCD	
CCOc1ccc(N(C)Cc2ccc(-c3nn[nH]n3)cc2C)cc1	1590837439	PULOFFYWUHSTBG-UHFFFAOYSA-N	323.400	3.210	10	20	DGCD	
O=C(O)CC1(NCc2ccc3c(c2)CCCO3)CCCCC1	1601936670	HIZAJSZQEXISCT-UHFFFAOYSA-N	303.402	3.279	10	20	DGCD	
O=C(O)c1cccc2c1CCN(Cc1ccc(Cl)cc1O)C2	1608940807	QCZNUNIYHRXXMX-UHFFFAOYSA-N	317.772	3.302	10	20	DGCD	
C[C@H](CN(C)c1ccc(OCC(=O)O)cc1)CC(F)(F)F	1776419316	FDVJBBNIPBHTRM-JTQLQIEISA-N	305.296	3.175	10	20	DGCD	
CCN1CCc2cc(CN[C@@H]3C[C@H](C(=O)O)CC[C@@H]3C)ccc21	1776877575	VLENRKIASSDKFB-IAOVAPTHSA-N	316.445	3.048	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H](C(=O)O)Cc3ccccc32)cc1	1777039389	SOVYJFZOSVOLJA-INIZCTEOSA-N	310.397	3.016	10	20	DGCD	
CCc1nc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1	50554893	MKKGQHZDBVSJDC-UHFFFAOYSA-N	317.458	3.352	10	20	DGCD	
CCn1cc(N2C(=O)/C(=C/c3cccs3)SC2=S)cn1	101960300	JVZVGIPTOUCSAU-WDZFZDKYSA-N	321.452	3.370	10	20	DGCD	
Cc1cccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1	173205088	REEXQHFOFIDZDE-UHFFFAOYSA-N	310.397	3.029	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc(F)cc1F	1344043308	YSTJQKKXYCLXNF-UHFFFAOYSA-N	309.659	3.407	10	20	DGCD	
CC(=O)CCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1	185675111	ZARXQMBOHXXJII-UHFFFAOYSA-N	316.445	3.298	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(-n3ccnc3C)nc2)c(O)c1	185084429	IEMGAEFDVVNSLT-AWEZNQCLSA-N	322.412	3.441	10	20	DGCD	
COCCC1(CNCc2cccc(Br)c2O)CC1	151173828	JSHZNAPXVDAZJM-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
CCOc1ccccc1OCCN(C)Cc1ccccc1O	72629587	PORJIUIEVRUXOR-UHFFFAOYSA-N	301.386	3.302	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]2CCCC[C@H]21	180894818	NRCLHUWCRNHVPV-AZHOBDGFSA-N	301.386	3.292	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccc(F)c(F)c2)cc1	183803717	KMMOKNYFOMXPJR-UHFFFAOYSA-N	321.323	3.153	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1nc(C)sc1C	137071012	RETUQRRDYABQIU-UHFFFAOYSA-N	318.442	3.447	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2COC3(CCCCC3)O2)c1	186230365	AHDNILWWKXMFCB-LSDHHAIUSA-N	305.418	3.427	10	20	DGCD	
C[C@@H](C[C@@H](O)c1ccco1)NCc1ccc(N(C)C)c(F)c1	130602043	BGOLDTSIJUFFEU-BLLLJJGKSA-N	306.381	3.087	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(F)c(F)c1	87024012	GAKVDYUDEGZROI-UHFFFAOYSA-N	318.367	3.232	10	20	DGCD	
C[C@@H](N[C@H]1CCSC1)c1ccc(Br)cc1O	381433301	BZEUXDDGOLEIIV-SCZZXKLOSA-N	302.237	3.311	10	20	DGCD	
Cc1cc(C(=O)NCc2cccc(O)c2)c(C)n1-c1ccccn1	194476967	SHYBBKNXJHLULG-UHFFFAOYSA-N	321.380	3.125	10	20	DGCD	
CC(=O)CC(C)(C)CC(=O)NCc1c(O)ccc2c1CCCC2	191923692	ZWVOLDKJGVCARW-UHFFFAOYSA-N	317.429	3.283	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(c3ccccn3)C2)cc1	90803149	DZCABWOLSWSRAI-SJLPKXTDSA-N	324.472	3.467	10	20	DGCD	
COc1cccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1O	91958678	QQEDAJIBORUFLU-CABCVRRESA-N	317.385	3.082	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1	238079091	XPGUKAYQIFUUNW-TZIWHRDSSA-N	320.436	3.222	10	20	DGCD	
CC[C@H](C)Oc1ccc(C(=O)NCCc2ccc(N)cc2)cc1	237020043	ATFQYPAVINRRQO-AWEZNQCLSA-N	312.413	3.419	10	20	DGCD	
CCOc1cccc(CN(CCOC)Cc2ccco2)c1O	92562017	LHKXRJZASHNOIY-UHFFFAOYSA-N	305.374	3.033	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCNC(=O)OC(C)(C)C	230660225	LKXOVHJNZNNSKR-CHWSQXEVSA-N	320.433	3.363	10	20	DGCD	
COCCCN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1	247826093	FVAJHTBNCNVLNK-UHFFFAOYSA-N	300.402	3.203	10	20	DGCD	
Cc1ccc(/C=C2\SC(=S)NC2=O)cc1Br	255389220	YZGDKPWWXYDCAY-UITAMQMPSA-N	314.229	3.246	10	20	DGCD	
CN1Cc2ccccc2[C@@H](NCc2cccc(Cl)c2O)C1	359900217	OMEOPGLIIGSKSC-INIZCTEOSA-N	302.805	3.322	10	20	DGCD	
COc1cccc(CN[C@@H](CCO)c2ccc(Cl)cc2)c1O	288481053	PVMYIDQXRKTEER-HNNXBMFYSA-N	321.804	3.268	10	20	DGCD	
COCCOC[C@H](C)N[C@@H](C)c1cc(Cl)cc(C)c1O	808706193	FBTFCXRAGGLLBK-RYUDHWBXSA-N	301.814	3.056	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCc2cccc(C(N)=O)c2)c1O	808674737	XNHJUXLDUJFDQF-LLVKDONJSA-N	318.804	3.304	10	20	DGCD	
CCCOc1ccc(CNc2cccc3c2CNC3=O)c(O)c1	290235301	YWKJEMTZMRBWQB-UHFFFAOYSA-N	312.369	3.037	10	20	DGCD	
C[C@H](NCc1c(O)ccc(Cl)c1F)[C@@H](O)c1ccccc1	808444723	JUOSUVGWJJIVJB-MGPLVRAMSA-N	309.768	3.396	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNc1cnc2c(c1)COCC2	816560825	BIVUKSLPHMPVFS-UHFFFAOYSA-N	308.740	3.265	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@@]1(O)CCc2ccccc21	816557823	CEWLNDKILIGVCQ-KRWDZBQOSA-N	321.779	3.108	10	20	DGCD	
C[C@H](NCCC1=CCNCC1)c1cc2c(cc1O)CCCC2	817987163	WZGMLJFFXDSJDV-AWEZNQCLSA-N	300.446	3.231	10	20	DGCD	
Cc1cc(CN2C[C@@H](C)C[C@H](CO)C2)ccc1N1CCCCC1	817281898	SFJVYKRUDQOGNW-LPHOPBHVSA-N	316.489	3.436	10	20	DGCD	
C[C@@H](NCC1=CCNCC1)c1ccc(Cl)c(Cl)c1O	817968366	QRWWJSMLMUOAQP-SECBINFHSA-N	301.217	3.269	10	20	DGCD	
Cc1cc(C(=O)NOC2CCC2)c(C)n1-c1ccc(F)cc1	812794694	BLCHBOFFQUQAKF-UHFFFAOYSA-N	302.349	3.447	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3nc(C(C)C)no3)C2)cc1	819933981	AZEPCMRDYBTHTA-CYBMUJFWSA-N	316.405	3.140	10	20	DGCD	
CCN(CC)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816483784	DVJPXBRCQIVBPV-GFCCVEGCSA-N	300.805	3.101	10	20	DGCD	
Cc1c(C(=O)N[C@H](C)c2ccccc2O)[nH]c2c1C(=O)CCC2	827923013	HLJCHBIEGYNFTE-LLVKDONJSA-N	312.369	3.039	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCO[C@H](c3ccncc3)C2)cc1	824948865	VGPWWARZLKDWQR-HKUYNNGSSA-N	311.429	3.158	10	20	DGCD	
Cc1cc([C@@H](NCc2ccc(N(C)C)cc2)C(=O)O)ccc1F	901842669	LSABGIOMTJTYQM-QGZVFWFLSA-N	316.376	3.116	10	20	DGCD	
C[C@@H]1CSC[C@@H]1NCc1ccc(N2CCSCC2)cc1	823665845	AWEJGEHDJQMMDD-CJNGLKHVSA-N	308.516	3.081	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1C[C@H]2CCCN2c2ccccc21	491531690	HXKKDEPRHOKHQF-XITLMJRVSA-N	323.371	3.250	10	20	DGCD	
Cc1cc(F)cc(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	831930797	JDVPSPSNIFJAMC-GFCCVEGCSA-N	317.360	3.215	10	20	DGCD	
C/C(=C\C(=O)N1CCCc2ccc(F)c(C)c21)c1cnccn1	839438315	JDHZPNUESIOFIJ-ZRDIBKRKSA-N	311.360	3.307	10	20	DGCD	
CO[C@@H]1COC[C@@H]1N[C@H](C)c1ccc(N2CCCCCC2)cc1	840824464	NDDUKHJIOKNXHU-AYOQOUSVSA-N	318.461	3.131	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C)c(C(=O)O)o1	911322818	GSUQLEJKGSUMRZ-UHFFFAOYSA-N	317.341	3.044	10	20	DGCD	
COc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)c(O)c(C(C)(C)C)c1	842623661	XSFCBGDXBRUZHT-DYVFJYSZSA-N	319.445	3.309	10	20	DGCD	
Cc1cccc(OCCc2nc(Cc3ccc(N)cc3)no2)c1C	843159296	OPCWKWOXUJQTQJ-UHFFFAOYSA-N	323.396	3.481	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H]2CCc3ccccc3OC2)c1O	846169045	XOZIAYPSWAIFCR-UKRRQHHQSA-N	313.397	3.445	10	20	DGCD	
CC(C)c1ccc([C@H](N)CNCc2cccc(F)c2O)cc1	841036782	MKMOKJDKDATFDP-QGZVFWFLSA-N	302.393	3.444	10	20	DGCD	
COc1cccc([C@H](C)Nc2cccc(C(=O)N(C)C)c2)c1O	846160430	SYXZZANNPZUMED-LBPRGKRZSA-N	314.385	3.276	10	20	DGCD	
CCCCN(CCOC)Cc1cc(Cl)cc(C(C)=O)c1O	750045216	NDHFQWPNMOCFCD-UHFFFAOYSA-N	313.825	3.497	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1O	858479074	IFBSTKXROTUVLQ-GXSJLCMTSA-N	320.330	3.051	10	20	DGCD	
CCCN(CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccccc1O	750875755	WOVCVRKWHALITP-RDJZCZTQSA-N	318.461	3.299	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCC(C)(C)[C@]2(O)CCCOC2)c(O)c1	850561035	HMUCOPNKYJXVOA-KXBFYZLASA-N	321.461	3.227	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1ccccc1)C[C@@H]1CCCO1	757910456	UYPQQBOXOCVPFJ-HNNXBMFYSA-N	317.410	3.275	10	20	DGCD	
Cc1ncc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)s1	866454459	CQLUGAMZZWRUOP-DTWKUNHWSA-N	307.375	3.477	10	20	DGCD	
Cc1ccc(O)c(CNc2nc(C3CCOCC3)ns2)c1	1118922965	PQXRCCNZWBEFBR-UHFFFAOYSA-N	305.403	3.058	10	20	DGCD	
CC[C@@H](N[C@@H](C)COCCOC)c1cc(Cl)ccc1O	775528381	XSNXIMFZBSTHIQ-SMDDNHRTSA-N	301.814	3.138	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccc(O)n2)cc1	771500433	SZDXVKITFCIXRG-UHFFFAOYSA-N	321.380	3.125	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cccc(O)c1	1123484216	OFKUVYQFJDZQBS-UHFFFAOYSA-N	312.413	3.049	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SC[C@H]1COC(C)(C)O1	785029365	MKTIXYFBBRWWEQ-CYBMUJFWSA-N	304.415	3.331	10	20	DGCD	
Cc1cc(C)c([C@H](C)Nc2ccc(N(C)CCO)cn2)c(O)c1	788704159	NBEFUTKTFKEZAV-AWEZNQCLSA-N	315.417	3.006	10	20	DGCD	
C/C(=C\C(=O)N(CC(C)(C)C)c1ccccn1)c1cnccn1	891492116	FGTVHZYMBGQQHK-SDNWHVSQSA-N	310.401	3.354	10	20	DGCD	
Cc1cccc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)c1C	789980280	YUVGRAQDISRVEE-NSHDSACASA-N	303.333	3.345	10	20	DGCD	
O=C(Cc1ccc(F)cc1F)Nc1c(Cl)ccc2nonc12	1329520367	XLZDPIURBBQXKQ-UHFFFAOYSA-N	323.686	3.336	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc(N3CCCC3)cc1)N2	1349372884	ORVQCHYIOQURHT-SFHVURJKSA-N	307.397	3.449	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2C[C@H](O)C2)c1	1351230881	YSMQNFFPIZEFKV-MQMHXKEQSA-N	318.804	3.001	10	20	DGCD	
C[C@@H](CCN[C@H](C)c1cc(C(=O)O)ccc1O)N1CCCCC1	1609779458	PSQCXRKDCRFTIZ-UONOGXRCSA-N	320.433	3.006	10	20	DGCD	
CC(C)n1cccc1C(=O)NCCCSc1nccs1	157360541	LOPAZEJRIVTXDL-UHFFFAOYSA-N	309.460	3.438	10	20	DGCD	
CCC[C@@]1(NCc2cc(Br)ccc2O)CCOC1	378767651	YWHJIHBHLYGZNI-CQSZACIVSA-N	314.223	3.204	10	20	DGCD	
C[C@@H](Cc1ccccn1)NCc1ccc(Br)cc1O	694062848	AUAIXFVWEJXBPL-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nccs1	55158303	UYLYPDLPMIJNMP-UHFFFAOYSA-N	317.458	3.190	10	20	DGCD	
CCN(CC)c1ccc(CNc2nc(COC)ns2)cc1F	176927585	IDSAQTGKEUMZEV-UHFFFAOYSA-N	324.425	3.282	10	20	DGCD	
Oc1ccccc1CN1CCCN(Cc2ccc(F)cc2)CC1	179555048	ZTGZPPOHGIBBKG-UHFFFAOYSA-N	314.404	3.239	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1ccccc1OC(F)(F)F	22016096	FOXHEOVIHRNVRL-YVMONPNESA-N	305.302	3.074	10	20	DGCD	
CCn1nc(C)c(/C=C2\SC(NC3CCCC3)=NC2=O)c1C	60370901	XORCPHUBGDHJPA-ZROIWOOFSA-N	318.446	3.022	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2F)cc1OC	67984666	QKEOTHZJTBDLNA-OAHLLOKOSA-N	323.339	3.152	10	20	DGCD	
Cc1cc(CNCc2ccc(N3CCOCC3)cc2)c(C)o1	114505292	VAELFBLKHPYNIF-UHFFFAOYSA-N	300.402	3.023	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](O)c2c(F)cccc2F)cc1C	304309984	NHUVNRHDROWFNB-MRXNPFEDSA-N	307.340	3.110	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCN(C)c2ccccc2)c1	182394172	QEDBKIMXRVLLHT-AWEZNQCLSA-N	300.402	3.188	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@H](CC)C1	183580548	VTZORADGTJWKRB-GOEBONIOSA-N	305.418	3.336	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	121850957	GPJAIWHJSQEFLH-OTWHNJEPSA-N	314.473	3.498	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@H]1COC2(CCCCCC2)O1	180910060	MKLQASNYCCLRAN-HNNXBMFYSA-N	309.381	3.087	10	20	DGCD	
C[C@@H]1CC[C@H](CCC(=O)NCc2c(O)ccc3c2CCCC3)O1	75159604	QCICMDZXTBELEE-UKRRQHHQSA-N	317.429	3.235	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1	185206479	NBPPNTJKIWOKNP-ZACQAIPSSA-N	320.477	3.241	10	20	DGCD	
O=C(c1cccc(O)c1O)N(Cc1ccc(F)cc1)CC1CC1	187097724	USTRMSXAXFMLOL-UHFFFAOYSA-N	315.344	3.289	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@H](CO)Cc1ccccc1	322719859	RZZMOPOJTCGOSW-BHYGNILZSA-N	311.425	3.442	10	20	DGCD	
Cc1cccc(NC2=NC(=O)/C(=C/c3cn(C)nc3C)S2)c1	255297126	ZUVRIAAGBBNTMZ-ZSOIEALJSA-N	312.398	3.119	10	20	DGCD	
Cc1cocc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	528881695	JJHWIWAMANUNSE-HNNXBMFYSA-N	315.369	3.115	10	20	DGCD	
Cc1c(CN(C)Cc2ccc(N3CCCCC3)cc2)cnn1C	268962046	XYVHBAFXKKZFTE-UHFFFAOYSA-N	312.461	3.351	10	20	DGCD	
COC[C@H](C)[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C	360458184	YBRSTJZBVMHIBL-STQMWFEESA-N	302.418	3.022	10	20	DGCD	
Cc1noc(CCCN[C@@H](C)c2cc3c(cc2O)CCCC3)n1	273519236	TXNGISXBTTWDPE-LBPRGKRZSA-N	315.417	3.246	10	20	DGCD	
Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273496185	PEJVTMLHTUZNDV-ZJUUUORDSA-N	319.361	3.360	10	20	DGCD	
COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(O)c(C)c1	277386064	BNTGZCALXJOXAJ-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@H]2c2ccc[nH]2)cc1OC	271805042	MCSBYNLZEJUWHD-AWEZNQCLSA-N	302.374	3.075	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1n1ccnc1	271265726	LTOQGRRFMNFXFV-KBXCAEBGSA-N	316.424	3.171	10	20	DGCD	
CCOC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1	284285918	NIEWWDJKKCQADO-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
COc1cc(Cl)cc(CN[C@](C)(CO)c2ccccc2)c1O	389612133	YCAABABUJUQOGQ-QGZVFWFLSA-N	321.804	3.052	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cc(C3CC3)ccn2)cc1	290146450	PIWJOEHLVFETLO-UHFFFAOYSA-N	310.401	3.347	10	20	DGCD	
COc1cccc(CNCc2cc3ccccc3nc2OC)c1O	809740395	XPEQNTXGLVULCG-UHFFFAOYSA-N	324.380	3.247	10	20	DGCD	
COCCCONC(=O)c1cc(C)ccc1-n1c(C)ccc1C	805039638	INJXSPQBQRASFW-UHFFFAOYSA-N	316.401	3.100	10	20	DGCD	
CC[C@@H](NCC1(COC)CCOCC1)c1ccc(N(C)C)cc1	293694339	NYRVIGYLUYHURR-GOSISDBHSA-N	320.477	3.237	10	20	DGCD	
CC(C)OCCC(=O)NCc1cc(Cl)cc(Cl)c1O	807837429	PTAJWTMJPQWPRN-UHFFFAOYSA-N	306.189	3.130	10	20	DGCD	
Cc1cc(C)cc([C@H](O)CNCc2cc(Cl)ccc2O)c1	800898129	RZDKHDYEVZCLPS-QGZVFWFLSA-N	305.805	3.486	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2[nH]ncc12	299519488	OSJKMOLESCNFES-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
O=C(NCc1ccsc1Br)c1cc(O)cs1	802631756	GSJNGMBHSOVUPI-UHFFFAOYSA-N	318.217	3.208	10	20	DGCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)c2ccccc2N(C)C1=O	809785844	DUNUCVBRKLRZQC-GFCCVEGCSA-N	314.360	3.150	10	20	DGCD	
Cc1ccsc1[C@@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817938953	WFFPNQSMCIZVLV-CJNGLKHVSA-N	303.475	3.473	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1cccc(C(F)(F)F)c1O)C1CC1	815651678	ZUHLJBFQFUPDGC-RNCFNFMXSA-N	303.324	3.487	10	20	DGCD	
C[C@H]1CC[C@H](C(=O)O)CN1Cc1ccc(N2CCCCC2)cc1	817881455	TZDDHBDMMOUCED-RDJZCZTQSA-N	316.445	3.362	10	20	DGCD	
Cc1nnc(CCN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)s1	810243369	NQQPUMQTCQXDJR-KWQFWETISA-N	307.394	3.072	10	20	DGCD	
CCCc1occc1C(=O)C(=O)CC(C)(C)CC(=O)OCC	819761362	OXOUWKPIINMUOR-UHFFFAOYSA-N	308.374	3.353	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@]2(O)CCC[C@H]2C)cc1F	815159299	PXOFOTGSFIZENF-KDOFPFPSSA-N	308.441	3.313	10	20	DGCD	
COc1ccc(N(Cc2nnc3n2CCCC3)CC(C)C)cc1	728917484	HGLPFMYUWUSQTI-UHFFFAOYSA-N	314.433	3.286	10	20	DGCD	
CC[C@@H]1C[C@H](NC[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1	818221419	MEGJNXNJSZOEFG-JFIYKMOQSA-N	318.461	3.069	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CNCc2ccccc21	828147645	HOMHXMVFCNXWAF-SFHVURJKSA-N	324.424	3.018	10	20	DGCD	
Cc1cccc2c1O[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C2	823709573	XTTMPPZRSYWMEG-GOSISDBHSA-N	324.424	3.023	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\[C@H]1CCOC1	822653012	WPFMLFJJDBRBTH-JEZWAEDTSA-N	316.445	3.082	10	20	DGCD	
CCOCc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1	588404439	RQPPUYUAABGUFF-CLFYSBASSA-N	313.353	3.286	10	20	DGCD	
CC(C)n1ncc2cc(COC(=O)c3cc(O)cs3)cnc21	837513679	IGOXXRGBMWZMCO-UHFFFAOYSA-N	317.370	3.136	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@@H]1C(=O)O	911322184	AWYDIBLFBMAEJH-CABCVRRESA-N	319.401	3.022	10	20	DGCD	
COCCC(C)(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839920806	UMIQHRULTCESIC-HNNXBMFYSA-N	320.477	3.171	10	20	DGCD	
CO[C@@H]1C[C@H](N(C)Cc2c(O)ccc3ccncc23)C12CCC2	840138067	CKOSAQLZHKUSFY-ZWKOTPCHSA-N	312.413	3.330	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCN[C@@H](C)C1	841005051	DDURHFPVERAAJD-WMZOPIPTSA-N	303.494	3.351	10	20	DGCD	
CN(Cc1ccc(Cl)s1)C(=O)NCCc1ccc(N)cc1	841962001	JZWYHAZJQBRPGW-UHFFFAOYSA-N	323.849	3.368	10	20	DGCD	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCCc1ccc(N)cc1	841954243	KLDOBEICPWBSTQ-YJBOKZPZSA-N	323.440	3.399	10	20	DGCD	
C[C@@H](NCc1cccc(N(C)C)n1)c1ccc(Cl)cc1O	841751194	MKIYJVLGUDTZEC-LLVKDONJSA-N	305.809	3.357	10	20	DGCD	
CCC[C@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1	843158650	FQDYTIZJRUKZKO-ZFWWWQNUSA-N	301.390	3.305	10	20	DGCD	
CCN(CC)C[C@H](C)NCc1ccc(N(CC)CC)c(F)c1	740004541	PIQFJUAICHJFBN-HNNXBMFYSA-N	309.473	3.492	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCS2)cc1F	743345952	XUIDVNYZEYQLPN-HNNXBMFYSA-N	310.438	3.184	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1	756055741	HZBWGTNYJJUUEF-AWEZNQCLSA-N	301.434	3.275	10	20	DGCD	
CO[C@H](C)c1nc(CNCc2ccc3c(c2)CCCO3)cs1	921823996	JVEDXCCXHQRKQV-GFCCVEGCSA-N	318.442	3.465	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1	768286482	LGYLNBYOYBDTIP-NWDGAFQWSA-N	321.298	3.229	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCC[C@H](O)c2ccccc2)c1	862755034	NMOQJJXITPZIDH-KRWDZBQOSA-N	313.397	3.221	10	20	DGCD	
Cc1cc(CNC(=O)/C=C\[C@H]2CCOC2)c(C)n1-c1ccccc1	863163639	LCHHEVUSHABYTK-JJEJIETFSA-N	324.424	3.303	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2nn(C)c3ccccc23)c1	760899490	YTCFPJAJWINGSS-GFCCVEGCSA-N	311.385	3.138	10	20	DGCD	
CCC1CN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1	861943393	FXVNLDKHURJHCX-UHFFFAOYSA-N	324.424	3.318	10	20	DGCD	
CCN(CC)C(=O)CN[C@H](C)c1cc(Cl)c(Cl)cc1O	774142069	XOMFUYSUUKGWFV-SECBINFHSA-N	319.232	3.218	10	20	DGCD	
CC[C@@H](NCc1cn(-c2ccccc2)nn1)c1ccccc1O	775415290	NTFJRZKUAYFJJU-QGZVFWFLSA-N	308.385	3.214	10	20	DGCD	
Cc1ccc(CNC[C@@](C)(O)c2cccc(Cl)c2)c(O)c1	877375005	QVNJYYPPVKDBCT-QGZVFWFLSA-N	305.805	3.351	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCCCC1)c1cc(Cl)ccc1O	775494295	ZHGLGJRNRRMIPQ-HNNXBMFYSA-N	324.852	3.489	10	20	DGCD	
CN1CCN(c2ccc(CN(C)C(C3CC3)C3CC3)cc2)CC1	775668445	ZVFNMUXJXPSOID-UHFFFAOYSA-N	313.489	3.059	10	20	DGCD	
C[C@H](NC(=O)CC1(O)CCCCC1)c1ccc(N(C)C)cc1	775402783	CMNOCRIRQFKVHM-AWEZNQCLSA-N	304.434	3.015	10	20	DGCD	
CC(C)N1CCC(N(C)Cc2cc(Cl)cc(F)c2O)CC1	775648238	RGEJGRJBZXPFIS-UHFFFAOYSA-N	314.832	3.489	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](O)C2CCCCC2)cc1	783563105	QPRYADQOMBJRSN-SFHVURJKSA-N	318.461	3.090	10	20	DGCD	
CCOc1ccc(CN2CCC([C@@H]3CCCO3)CC2)c(O)c1	784665378	UWXKJTAEBURHHU-SFHVURJKSA-N	305.418	3.182	10	20	DGCD	
Cc1ccc(C(=O)OC[C@H]2CCC3(CCCC3)O2)c(O)c1O	783342699	DAHNBBLYRJJTPI-GFCCVEGCSA-N	306.358	3.055	10	20	DGCD	
Cc1nc(CC2CCN(Cc3cc(Cl)ccc3O)CC2)no1	896551363	LOZMQEBTHFIDAB-UHFFFAOYSA-N	321.808	3.192	10	20	DGCD	
Cc1cc(Br)c(O)c(CN2CC[C@H](CF)C2)c1	895573619	QCWDVTLWTBXXGX-SNVBAGLBSA-N	302.187	3.255	10	20	DGCD	
C[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCCC1	783357261	PNQKDCHBQLFSLT-GFCCVEGCSA-N	320.385	3.430	10	20	DGCD	
CCn1cccc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)c1=O	788605637	BBEUQAHKRWOLMV-BXUZGUMPSA-N	316.376	3.051	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)cc1)CC1CCC1	793351276	FOSPVZBJKIQYHR-UHFFFAOYSA-N	301.478	3.060	10	20	DGCD	
COCCc1ccnc(N[C@@H](C)c2cc(F)cc(F)c2O)c1	797046606	XSSHSZDGDPIBBF-JTQLQIEISA-N	308.328	3.427	10	20	DGCD	
CC[C@](C)(O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792896809	FMVWFZDAYDQJKU-AWEZNQCLSA-N	304.356	3.022	10	20	DGCD	
COc1ccc(CNCc2nc3c(s2)CCCC3)c(O)c1	793386055	IJHTWDXPQCLWJR-UHFFFAOYSA-N	304.415	3.026	10	20	DGCD	
CO[C@]1(C)CCCN(Cc2ccc(Br)cc2O)C1	691675624	JIASMNKNMUWZPG-CQSZACIVSA-N	314.223	3.156	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cccc(Cl)c1F	780837313	FXGCMGTYYGRYAL-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1F	1319477414	AQNHAJQUFVBRED-GXDHUFHOSA-N	320.389	3.291	10	20	DGCD	
CCN(CC)C1CCN(Cc2c(O)ccc3ccncc23)CC1	1328986991	HGGYXXNXOFRSQX-UHFFFAOYSA-N	313.445	3.247	10	20	DGCD	
CN(CCN1CCCCC1)Cc1ccc(N2CCCC2)cc1	1326428383	SFPYFUHCIXHAQP-UHFFFAOYSA-N	301.478	3.205	10	20	DGCD	
Cc1nc(CNCc2cc(F)c(N(C)C)cc2F)sc1C	1329710650	MYXZAPZUDLYGMB-UHFFFAOYSA-N	311.401	3.394	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(C)n(C)c1=O	1321348802	SUNDKZCVQVMJIM-DOMZBBRYSA-N	312.413	3.046	10	20	DGCD	
Cc1cccc([C@H](NCc2ccc(Cl)cc2O)C(=O)O)c1	1605328758	DCVWXLXGLQICIP-HNNXBMFYSA-N	305.761	3.270	10	20	DGCD	
Cc1cc(CN2CCc3ccccc3[C@H]2C(=O)O)ccc1N(C)C	1594302619	ALSLTVQNEHFYGB-IBGZPJMESA-N	324.424	3.245	10	20	DGCD	
C[C@H](C(=O)O)[C@H](NCc1cc(F)cc(F)c1O)c1ccccc1	1776223459	VQDGKVXRANHZSL-BONVTDFDSA-N	321.323	3.222	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccncc1	160277590	MHJNYFUKIGVWAC-HNNXBMFYSA-N	323.440	3.274	10	20	DGCD	
CC1(C)CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	155718669	BYXJCWUJUOCPHX-UHFFFAOYSA-N	313.445	3.394	10	20	DGCD	
C[C@H](Cn1cccn1)NCc1cc(Cl)cc(Cl)c1O	37155615	ZGIRQEOVOWMNLG-SECBINFHSA-N	300.189	3.074	10	20	DGCD	
CC(C)OCC(C)(C)NCc1c(O)cccc1Br	706883741	YXGHGMGOWDNCHV-UHFFFAOYSA-N	316.239	3.448	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H]1CCN(Cc2ccccc2)C1	877486783	NKIUIXWPQIMGNR-SFHVURJKSA-N	310.441	3.312	10	20	DGCD	
Cc1cc2c(cc1C)[C@H](C(=O)N(C)Cc1ccccc1O)CO2	186102520	HOELARJDEJXLKL-MRXNPFEDSA-N	311.381	3.144	10	20	DGCD	
CCCCOCCNC1CCN(c2ccc(OC)cc2)CC1	119600736	ZFOJTVSUCXOPGA-UHFFFAOYSA-N	306.450	3.070	10	20	DGCD	
COC(=O)c1cc(CN(C)Cc2cc(C)cc(C)c2O)oc1C	120830796	OWBXZYUVXAWOHG-UHFFFAOYSA-N	317.385	3.329	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2cnn(Cc3ccccn3)c2)c1	186390335	QARRPICVBNGYEX-ZDUSSCGKSA-N	324.384	3.214	10	20	DGCD	
Cc1cccc(CN2CCO[C@@H](c3ccccc3F)C2)c1O	180024304	AWJGLKSZQWXDRX-QGZVFWFLSA-N	301.361	3.413	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@](C)(O)c2cccc(Cl)c2)c1	185111651	WYXBPQCHMJNTDD-QGZVFWFLSA-N	305.805	3.351	10	20	DGCD	
COCCCCN[C@@H](C)c1ccc(Br)cc1O	185037496	IGMLJOYUINDWBS-JTQLQIEISA-N	302.212	3.232	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(C)(C)C	321400505	LECYEJFILHSNBV-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
CCC[C@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	248271600	QGEBKGVEJRGEGO-HOCLYGCPSA-N	305.418	3.336	10	20	DGCD	
C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1	271545058	ZAFUPCLDCVDECW-PXAZEXFGSA-N	320.383	3.415	10	20	DGCD	
Oc1cccc(Cl)c1CNCCOCC(F)(F)C(F)F	277441840	DYTFDMFOOQNEDG-UHFFFAOYSA-N	315.694	3.052	10	20	DGCD	
Cc1c(CNC(=O)NC2CC(C)(F)C2)n(C)c2ccccc12	454877573	RDRZQJWAIFNNNS-UHFFFAOYSA-N	303.381	3.177	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1F	273417940	RFQQTNWRSMRKAA-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(F)cc1O	285499294	AFTOIBHERDIBTR-JJRVBVJISA-N	322.424	3.265	10	20	DGCD	
CCCOc1ccc(CNC[C@H]2COc3ccccc32)c(O)c1	288627375	SHAIIQGFRLVTPB-HNNXBMFYSA-N	313.397	3.447	10	20	DGCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccncc1	294082546	XIJFDTGYOSHLOU-MJICGBHWSA-N	324.380	3.116	10	20	DGCD	
COc1ncc(CNCc2ccc(N(C)C)c(F)c2)cc1Cl	295092823	TZYUWNLCAZGEOM-UHFFFAOYSA-N	323.799	3.239	10	20	DGCD	
Cc1c(N[C@@H]2CCc3cccc(O)c32)cnn1C1CCOCC1	297188514	FGINZEQHJMNCBN-OAHLLOKOSA-N	313.401	3.348	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2ccc(CN(C)C)cc2)c1	809738626	CERHPGQFWUAOAH-UHFFFAOYSA-N	314.429	3.094	10	20	DGCD	
Cc1ccncc1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837946	GLZKGQLWVAHIMV-UHFFFAOYSA-N	311.168	3.332	10	20	DGCD	
C[C@H](NC[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1O	806180532	OXVOEXWHIPLADR-JSGCOSHPSA-N	305.805	3.472	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CSc1ccccc1	808093909	YYKGORUYPALDHH-UHFFFAOYSA-N	322.426	3.286	10	20	DGCD	
CCC(CC)N(CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1	808782467	UOXZAJMGRZTCOF-UHFFFAOYSA-N	319.493	3.222	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H]3C[C@H]4CC[C@H]3C4)C2)cc1	818220973	JWNIXIAWMIULCH-IUVQAAGXSA-N	300.446	3.300	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@@H]2CCCNc3ccccc32)cc1	817944335	ZIAJYPZQWCDBEU-AZUAARDMSA-N	324.472	3.289	10	20	DGCD	
COc1cc(C)cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O	811792605	PZOIYQDOJFRWNA-YJBOKZPZSA-N	317.429	3.243	10	20	DGCD	
CCOc1ccc(O)c(CN2CCN(C)Cc3ccccc32)c1	816617839	JWMCJRBYLSWOSJ-UHFFFAOYSA-N	312.413	3.243	10	20	DGCD	
COc1cccc([C@@H](C)NCc2c(C)nc3ccccn23)c1O	903420875	DTRTVUBCNQAWCC-GFCCVEGCSA-N	311.385	3.208	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cccc(CC)c1O	827751518	VVXSSGNSPDTBNW-YJBOKZPZSA-N	305.418	3.166	10	20	DGCD	
COCCN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	731037200	WWISYEGUOUAHMK-UHFFFAOYSA-N	320.433	3.110	10	20	DGCD	
CCOc1ccc(CN[C@H](C(C)C)C2(CO)CCCC2)c(O)c1	835066152	OYJGIMISDOEXGO-GOSISDBHSA-N	321.461	3.458	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@@H]4C[C@H]34)ccc21	838031955	SUMTVZKQOISFCE-PVAVHDDUSA-N	313.445	3.057	10	20	DGCD	
CCCC[C@H](CC)C(=O)N(CC(=O)O)Cc1ccccc1O	911483763	DETHKRMXWRCSRE-ZDUSSCGKSA-N	307.390	3.022	10	20	DGCD	
C[C@@H](NC(=O)Cc1cnccc1Cl)c1ccc(N(C)C)cc1	839727933	FTOOYDXPHZCEFB-GFCCVEGCSA-N	317.820	3.221	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CSC(C)C	839916262	QKCDSBZFUFYXQF-AWEZNQCLSA-N	308.491	3.250	10	20	DGCD	
CC[C@](C)(O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C	743759188	QDMITCNMJDFVQD-IBGZPJMESA-N	314.429	3.293	10	20	DGCD	
CC[C@@H](NCC(C)(C)C1(O)CCOCC1)c1ccccc1O	841763741	QMQBTLRABMVKTA-OAHLLOKOSA-N	307.434	3.001	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(Cc2ccccc2)C2CC2)cc1	844353272	KADZVSZBTZUDAT-UHFFFAOYSA-N	324.424	3.323	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H]2CCCN(C(C)C)C2)c1O	846143234	CWAYKMOVKWXOHJ-GJZGRUSLSA-N	306.450	3.172	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H]([C@H]3CCCNC3)C2)cc1C	843128284	VQNBZNBQIBCDCR-IRXDYDNUSA-N	302.462	3.221	10	20	DGCD	
COc1ccc2c(c1)OC[C@H](N[C@@H](C)c1ccc(C)cc1O)C2	756776231	XISLTPULYXWZOF-DZGCQCFKSA-N	313.397	3.364	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]([S@@](C)=O)C2)c(O)c1C	850501893	QYVZXGHXCUMUHX-TYTKBFJVSA-N	309.475	3.349	10	20	DGCD	
C[C@H](N[C@H](CO)[C@H](C)c1ccccc1)c1cc(F)cc(F)c1O	756713053	SPVADNMRZFGIIX-BWACUDIHSA-N	321.367	3.486	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1OCCOC(=O)/C=C\c1ccc(O)c(O)c1	759789131	QAXJPXXTOPVGTO-QDBPKORMSA-N	320.385	3.250	10	20	DGCD	
C[C@@H](NC[C@H](O)c1cccc(F)c1)c1cc(F)cc(F)c1O	756477262	XDSFEVWLQLDOCG-PSLIRLAXSA-N	311.303	3.194	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	756415883	LTNUOLDRJOCPGU-JSGCOSHPSA-N	322.424	3.318	10	20	DGCD	
COCCOC[C@@H](C)N[C@H](C)c1ccc2ccccc2c1O	756731519	BZGKGOXSVXDJOA-ZIAGYGMSSA-N	303.402	3.248	10	20	DGCD	
C[C@@H]1C[C@H](NCc2c(O)cccc2Br)c2nccn21	858172488	WGBROZUXFMPELF-SKDRFNHKSA-N	322.206	3.147	10	20	DGCD	
C[C@@H]1C[C@@H]1c1nnc(NCc2cccc(Br)c2O)o1	865295618	IZVKXIFFVOQPST-APPZFPTMSA-N	324.178	3.273	10	20	DGCD	
C[C@H]1C[C@H]1c1nnc(NCc2cc(F)c(N(C)C)cc2F)o1	865294853	VBPUDCGHOAVDMM-WCBMZHEXSA-N	308.332	3.149	10	20	DGCD	
Cc1ccc(O)c(CN2CCc3c(cnn3-c3ccccc3)C2)c1	768886819	VCDVDSDJDIKAFT-UHFFFAOYSA-N	319.408	3.445	10	20	DGCD	
COc1ccc(CNCc2cc3c(nc2O)CCCC3)cc1C	865880467	YGGXVLPWROPAJL-UHFFFAOYSA-N	312.413	3.273	10	20	DGCD	
COc1ccc(CNC[C@H]2CCCN2C(=O)C(C)(C)C)cc1C	1035107971	VSPYIPJGJOVVOI-MRXNPFEDSA-N	318.461	3.130	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC3(CCOC3)CC2)c1O	761058163	HROSNFDEFCLGJB-UHFFFAOYSA-N	323.820	3.251	10	20	DGCD	
CCSC1(CNCc2ccc(N3CCC(O)CC3)cc2)CC1	877636166	OSTGEKFJLZDYCQ-UHFFFAOYSA-N	320.502	3.023	10	20	DGCD	
Cc1ccc(CNc2ccc(OC(C)C)c(C(N)=O)c2)c(O)c1	877493560	LUCHMLVUSKMPRS-UHFFFAOYSA-N	314.385	3.199	10	20	DGCD	
CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C1CC1	877539251	LTLHOXRONPAYCC-LJQANCHMSA-N	314.473	3.268	10	20	DGCD	
O=C(O)[C@@H](CC1CC1)NCc1ccc(N2CCCCC2)cc1	871882552	MAIMIDRKGISNIQ-QGZVFWFLSA-N	302.418	3.020	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CCOC[C@H]2OCC)cc1C	873103544	FVYYUIYYYKLAKU-SJLPKXTDSA-N	307.434	3.067	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CO)c2c(F)cccc2F)cc1	773829334	BFPDISWPJZSDTH-QGZVFWFLSA-N	320.383	3.244	10	20	DGCD	
O=C(N[C@H]1CCc2c(Cl)cccc21)c1cccc(O)c1O	776338123	FHQFDQSWRQJCIO-ZDUSSCGKSA-N	303.745	3.169	10	20	DGCD	
CC(C)C[C@@H](NCc1cc(F)ccc1O)C(=O)OC(C)(C)C	779156391	NJLJXHAPUIXAKI-CQSZACIVSA-N	311.397	3.377	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@H](CC)c1cc(Cl)ccc1O	775541003	RRBIBQNERVHPPE-CYBMUJFWSA-N	312.841	3.249	10	20	DGCD	
COC[C@@H](Cc1ccccc1)NCc1cccc(Cl)c1O	776232433	XNQNYZMUEUNFLA-OAHLLOKOSA-N	305.805	3.393	10	20	DGCD	
CCOC(=O)C[C@](C)(NCc1ccc(OC)c(C)c1)C(C)C	775374139	HNAUPWNBOXHWIX-SFHVURJKSA-N	307.434	3.461	10	20	DGCD	
C[C@@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1c(O)cccc1F	886511154	KMVXUTSMDLXVRP-OCCSQVGLSA-N	321.367	3.172	10	20	DGCD	
CN(C)c1ccc([C@H](CN[C@@H]2CCc3cccnc32)N(C)C)cc1	898447957	NSTYPHIBJPUJMP-MOPGFXCFSA-N	324.472	3.027	10	20	DGCD	
COc1ccc(CN(C)C2Cc3ccccc3C2)c(O)c1OC	891788074	ZOWTWFZZPXCVBO-UHFFFAOYSA-N	313.397	3.009	10	20	DGCD	
CC(C)(CNC(=O)c1c(F)ccc(O)c1O)c1ccc(F)cc1	789975369	YXBKCXNOINXNDJ-UHFFFAOYSA-N	321.323	3.084	10	20	DGCD	
COc1ccc(CN2CCOc3cc(C)ccc32)c(O)c1OC	893614691	PSLHDNQDTXCTMX-UHFFFAOYSA-N	315.369	3.117	10	20	DGCD	
COc1ccc(CNC(=O)c2cnc(C(C)(C)C)s2)c(O)c1	794379928	UTTDTDGGQCFZGG-UHFFFAOYSA-N	320.414	3.085	10	20	DGCD	
COc1cccc(CC(=O)Nc2c(Cl)ccc3nonc23)c1	1320946249	FDIQMQGPCZDNQM-UHFFFAOYSA-N	317.732	3.066	10	20	DGCD	
CCO[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C12CCC2	1336448348	ARIMIEZGUOLXTC-WQVCFCJDSA-N	318.417	3.100	10	20	DGCD	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(N)cc1	1346738262	FSZDHQRVCSNAEQ-KDOFPFPSSA-N	309.413	3.356	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@H](C)C[C@@H](C)C1	1340779116	MPMWNUFRKWHJND-GHMZBOCLSA-N	306.435	3.214	10	20	DGCD	
CCc1ccccc1[C@@H](N)CNCc1c(O)cccc1Cl	1578275383	KSDADQDLYYZCDM-INIZCTEOSA-N	304.821	3.398	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)C2CCCC2)cc1	1776860520	PUHYGPYDRBTCIA-KRWDZBQOSA-N	304.434	3.266	10	20	DGCD	
Cc1c(C(=O)NCc2ccc(O)c(O)c2)oc2c(C)cccc12	158919521	JCHVNAXOHDSAIZ-UHFFFAOYSA-N	311.337	3.391	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1ccc(OCC(F)(F)F)cc1	209250701	PMPXKQGGSHEKPQ-WEVVVXLNSA-N	319.329	3.117	10	20	DGCD	
COCCC(C)(C)NCc1cc(Br)cc(F)c1O	715769428	KDJPZTZSDBYZOL-UHFFFAOYSA-N	320.202	3.199	10	20	DGCD	
COc1cccc(CNC(=O)c2csc3c2CCCC3)c1O	68488783	DXDIHXFQDYBBHW-UHFFFAOYSA-N	317.410	3.271	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C	179302948	SNQQCLSPMVFODA-HOTGVXAUSA-N	315.461	3.474	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC([C@@H]2CCCN2)CC1	1345942723	GNCFQECLVZLKFC-FQEVSTJZSA-N	313.489	3.251	10	20	DGCD	
Cc1cc(C)c2c(c1)CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2	189246562	NDHOYMOBPGEAIU-GQCTYLIASA-N	323.392	3.313	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cc(F)ccc2OC)c1	182409365	BJNGWGIHSWUXLY-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
Cc1ccc(O)c(CN(Cc2ccccc2)[C@H](CO)C2CC2)c1	184789120	YLTAHMAMOOHOTE-LJQANCHMSA-N	311.425	3.474	10	20	DGCD	
CCN(CC)CCCN(Cc1ccccc1O)C[C@H]1CCCO1	191811621	APKCXRKKZHXLIM-GOSISDBHSA-N	320.477	3.105	10	20	DGCD	
CCCOc1ccc(OCC(=O)Nc2ccc(N)cc2)cc1	236857689	LXPLTDMXDZAMPI-UHFFFAOYSA-N	300.358	3.075	10	20	DGCD	
CN(C)c1ccc(CNCc2ccccc2-n2cccn2)cc1	237126954	XSQNMRBAOHZCQJ-UHFFFAOYSA-N	306.413	3.228	10	20	DGCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C[C@H]1n1ccnc1	246838519	ZRJPDYFRFXXKFM-RDTXWAMCSA-N	311.429	3.161	10	20	DGCD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(N)cc1	262573447	GRPYEHLLYMGRRW-OLMNPRSZSA-N	318.461	3.301	10	20	DGCD	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Cc1ccc(N)cc1	261604304	CNHPWEVVXUORHY-LBPRGKRZSA-N	300.324	3.001	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H](CO)Cc2ccc(F)cc2)c1	273449161	FONMVEDPLFZMCT-BBRMVZONSA-N	303.377	3.094	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCc2nccn2C)c1O	275376094	WSFXMNMBTXFYGP-SNVBAGLBSA-N	324.222	3.047	10	20	DGCD	
CCCOc1ccc(CNCC2([C@H](C)CCO)CCC2)c(O)c1	271805897	JWGZKRFTACSRRF-OAHLLOKOSA-N	321.461	3.459	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCc3nc(O)ccc32)c1	273621465	ZDWWRKJKRFTZKZ-NHYWBVRUSA-N	314.385	3.230	10	20	DGCD	
CC[C@H](NCCc1cn2ccccc2n1)c1ccc(F)cc1O	285883000	ZPMCFKMUDAPHFF-INIZCTEOSA-N	313.376	3.462	10	20	DGCD	
CCc1nc([C@H]2CCCCN2Cc2cc(F)ccc2O)no1	376167896	UMIFWNZQQIYUDE-CYBMUJFWSA-N	305.353	3.204	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC[C@H](O)c2ccccc2)c1	289538157	WPMYQHOAVQNDJQ-GUYCJALGSA-N	301.386	3.175	10	20	DGCD	
CCCOc1ccc(CNC(=O)NCc2ccccc2O)cc1	299517465	POUCVSVYCRUZPK-UHFFFAOYSA-N	314.385	3.180	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)cc(C)c1	808093250	KZWBUNGOURVRKN-UHFFFAOYSA-N	304.386	3.425	10	20	DGCD	
Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1	807839843	RUQVAFWSCKSAKE-UHFFFAOYSA-N	311.168	3.332	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCc1c(C)noc1C	299575493	BWTQQAFIIHVISG-UHFFFAOYSA-N	316.401	3.368	10	20	DGCD	
CO[C@H](COC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1	801311374	KDTMIBHFOXQBMF-CQSZACIVSA-N	322.744	3.296	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCCC12CCOCC2	800478659	NSPDXUSOPODRAC-SFHVURJKSA-N	302.462	3.500	10	20	DGCD	
C[C@]1(CCCO)CCCN1Cc1c(O)ccc(Cl)c1F	809757724	SFBWHSRPVWYWAZ-OAHLLOKOSA-N	301.789	3.312	10	20	DGCD	
CC(=O)C(=O)COC(=O)c1sccc1-c1ccc(C)cc1	808491524	OZPZZVTUCYBMPB-UHFFFAOYSA-N	302.351	3.038	10	20	DGCD	
CC[C@H](NCCc1ccc(N)cc1)c1ccc(C(=O)OC)cc1	817957682	OAKOSJBTHSYIRJ-SFHVURJKSA-N	312.413	3.339	10	20	DGCD	
CC(C)(CO)[C@@H](NCc1cc(Cl)ccc1O)c1cccnc1	816637590	IPRLYIHFRRNFQY-INIZCTEOSA-N	320.820	3.290	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)NOCC3CC3)c2C)cc1	817357445	GYDJDCBIIPIBBP-UHFFFAOYSA-N	314.385	3.174	10	20	DGCD	
CCc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1O	813409099	GLIYCAVSDMZAPO-UHFFFAOYSA-N	324.424	3.485	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc3ccccc3c2O)C[C@@H](C)[S@]1=O	816608818	KEOGOYBZQDJKHQ-GGRMYQCBSA-N	317.454	3.277	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCN1	817894296	LEIRYSHWIKUNEA-GUDVDZBRSA-N	301.478	3.071	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1C[C@H]1C1CCC1	822717560	KXUXSLGLSCDAQL-ZWKOTPCHSA-N	313.445	3.275	10	20	DGCD	
Cc1cccc(CN2CCOC[C@H]2c2ccc(F)cc2)c1O	825045689	JKAJRYJYJBQGCN-KRWDZBQOSA-N	301.361	3.413	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1	824948868	VGPWWARZLKDWQR-IEBWSBKVSA-N	311.429	3.158	10	20	DGCD	
CCC(CC)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	822579602	GGBHWGIFDYGGNK-CQSZACIVSA-N	319.449	3.009	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2c[nH]c3nccc-3c2)cc1	825328039	XAQQOJZCDAROAC-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)c1ncc(C(=O)O)s1	901911833	OBNSLLUANGFWSE-LLVKDONJSA-N	319.430	3.067	10	20	DGCD	
Cc1nc(CC2CCN(Cc3cc(C)c(C)cc3O)CC2)no1	905734411	DFKAVBAQFSIBIA-UHFFFAOYSA-N	315.417	3.155	10	20	DGCD	
CCCn1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)c1C	827937125	LONCAJDQTROGLV-LLVKDONJSA-N	301.390	3.107	10	20	DGCD	
C[C@H](NC[C@H]1CC[C@@H](C)O1)c1cc(Br)ccc1O	834915207	PAUSEWDTMXMLIE-JFGNBEQYSA-N	314.223	3.373	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1	831165801	NCFKTAATLTVXCS-GUDVDZBRSA-N	302.462	3.268	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCCC(C)(C)C2CC2)c1	838474751	QAJWNCMBIMVHQO-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c1O	838729784	ISSFOMMQBVQYPO-MELADBBJSA-N	320.433	3.415	10	20	DGCD	
CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2cc(F)ccc2O)C1	835070479	OMGRUZQYOZERPP-KRWDZBQOSA-N	309.381	3.085	10	20	DGCD	
Fc1cc(CNC[C@@H]2CC=CCC2)cc(F)c1N1CCOCC1	839146788	VGADMMZBHISWNR-CQSZACIVSA-N	322.399	3.247	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@@H](C)O1	838743658	YBEJLOLXAGUABM-GDBMZVCRSA-N	320.433	3.271	10	20	DGCD	
CCCCN(CCC(=O)N1CCCC1)Cc1ccccc1O	838983265	NLSLDVIOQWOZFR-UHFFFAOYSA-N	304.434	3.007	10	20	DGCD	
Oc1cccc2c1[C@H](NCCOc1ccc(F)c(F)c1)CC2	834639785	BJCQPNWTRHSUEQ-OAHLLOKOSA-N	305.324	3.326	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCCC[C@H]1[C@H](O)c1ccccc1	912101235	OSAMBYJWABVDRB-GOEBONIOSA-N	317.410	3.182	10	20	DGCD	
CC(C)Cn1nccc1CN1CCOc2cc(N(C)C)ccc21	843403694	JVJKQJMFKAUXMY-UHFFFAOYSA-N	314.433	3.004	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](C)Cc2c(C)noc2C)c1O	846148400	YSTLKMXTLIOAQE-WDEREUQCSA-N	304.390	3.287	10	20	DGCD	
CC(C)c1ccccc1/C=C1/SC(N2CCOCC2)=NC1=O	848639453	VDXPBCAFNKMUAX-RVDMUPIBSA-N	316.426	3.113	10	20	DGCD	
CCNCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1	843483556	DPJJDGLBKVSWIR-HNNXBMFYSA-N	312.413	3.092	10	20	DGCD	
CCN(CC)[C@H](CNC(=O)Nc1ccc(N)cc1)CC(C)C	841302204	OXAWHXLCMHWCLI-INIZCTEOSA-N	306.454	3.147	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)N(C(N)=O)CC2	840941365	XZWZTGLFOHPVCL-UHFFFAOYSA-N	324.428	3.114	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1C[C@H](C)n2ccnc21	840892593	BKOGXSSGPWBYGV-MPGHIAIKSA-N	312.461	3.484	10	20	DGCD	
COc1cccnc1CNC(=S)Nc1c(C)cccc1C	840825988	ORZPFYWYTCJPAN-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)Cc1cnc[nH]1	848046764	ZHWKVTATWXDUQM-AWEZNQCLSA-N	315.417	3.123	10	20	DGCD	
CO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	752476165	MHAQKUOPMGOQBR-INIZCTEOSA-N	312.413	3.263	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@H]2CCOC3(CCC3)C2)cc1F	858173085	QGLBWPIPOMIHSR-ZDUSSCGKSA-N	324.415	3.470	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCOCCF)c1C	856471714	WTXKOCVYNIGSOT-UHFFFAOYSA-N	318.392	3.118	10	20	DGCD	
COc1cc(CNc2cnn(C)c2C)c(O)c(C(C)(C)C)c1	850237251	NHYRRHCYYYLICV-UHFFFAOYSA-N	303.406	3.352	10	20	DGCD	
O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cc(O)cs1	758340792	ZTFDYLFFKQOAQI-UHFFFAOYSA-N	321.308	3.374	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2ccnc(OC(C)C)c2)c1	860980604	SHSFQWXRQYVKES-UHFFFAOYSA-N	315.373	3.205	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCN(C)C2CCCCC2)cc1	769678751	MJYZYGQWGBBQBJ-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)C(C)(C)CO3)c1	862755860	LOHBAVSXNBVYLL-UHFFFAOYSA-N	311.381	3.301	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1nn(C)c2ccccc12	765657723	MFMAAMJBGIAFEY-UHFFFAOYSA-N	322.412	3.038	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2CO[C@H](C)C2)c(C)n1-c1ccccc1	863164322	GEOVHANJSJQWGW-PBHICJAKSA-N	312.413	3.135	10	20	DGCD	
C[C@@H](NC(=O)NC[C@]1(C)CCCS1)c1ccc(N(C)C)cc1	773388000	BMOLORYSAZQODN-DYVFJYSZSA-N	321.490	3.399	10	20	DGCD	
C[C@@H](NC[C@@H](O)COc1ccccc1Cl)c1ccccc1O	879649359	RCRHSFVUAYXCAR-CHWSQXEVSA-N	321.804	3.136	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2sccc2C1	779515264	PRPQCGACKMRPDG-XQRVVYSFSA-N	315.394	3.148	10	20	DGCD	
CC[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccccc1O	775414084	KWYIIADDHDZJAW-KRWDZBQOSA-N	312.413	3.335	10	20	DGCD	
C[C@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1	780784142	JRXHNJYXHWQNKT-GXTWGEPZSA-N	302.418	3.259	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc(OC)c(OC)c2O)c1	892633168	AGCNIQCARNHNNI-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1	890030496	FJQPYXCJIZUGIB-HOCLYGCPSA-N	316.445	3.279	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2CCc3c(OC)cccc32)c1O	894343452	XXWDEPYSVFMMCW-INIZCTEOSA-N	313.397	3.495	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCC[C@H]1O	798284905	MDIHWWQIIYKFQQ-FUHWJXTLSA-N	318.461	3.042	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1O	794802336	DZWTXDVAJCKNRY-GXTWGEPZSA-N	316.367	3.378	10	20	DGCD	
COC(=O)CN(Cc1ccc(N2CCCC2)cc1)C1CCCC1	1204322647	URGOBTATOPLCEM-UHFFFAOYSA-N	316.445	3.204	10	20	DGCD	
CCN(CC)c1ccc(CNC2CCC(N(C)C)CC2)cc1	796694978	NDBBWXOBMBIMAB-UHFFFAOYSA-N	303.494	3.495	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@H]([C@@H]2CCOC2)C1	1319963782	PHSZJQMHUWRMAZ-ZWKOTPCHSA-N	300.446	3.145	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1c(O)nnc(C)c1C	1325356452	KVGMQPZERFDJCO-QMTHXVAHSA-N	313.401	3.151	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCOC[C@@H]1CCOC1	1254720839	AIXNCQVHKPZDGG-PMPSAXMXSA-N	319.445	3.282	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1c(Cl)nc(OC)n1C	1320053570	NZOMYDDERLNGTQ-UHFFFAOYSA-N	321.808	3.044	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@H](F)C3)ccc21	1261452200	WLYYYPOSFRGUOE-HOTGVXAUSA-N	319.424	3.149	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CC[C@@](C)(CC)C1	1263011276	WVASQCGRDBJZOR-OAHLLOKOSA-N	306.435	3.359	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCOC[C@H]1CCCO1	1342390784	SCLOMFOMKGKWNA-RBSFLKMASA-N	305.418	3.034	10	20	DGCD	
CC[C@@H]1CCCN(c2nnc(-c3sccc3O)n2C)CC1	1355345541	XJWDPQXMTNWZSS-LLVKDONJSA-N	306.435	3.266	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCCC(F)F)cc1F	1353288959	CNJBQUKKAHBYER-UHFFFAOYSA-N	317.355	3.126	10	20	DGCD	
Cc1ccc(NC(=S)NNc2cccc(C(=O)O)c2)cc1C	1600458517	ODFLGNHDFSRMBH-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
Cc1cc(C(=O)COC(=O)[C@H]2C[C@@H]2C)c(C)n1-c1ccccc1	5405672	PFLWWVWOCULFLL-LRDDRELGSA-N	311.381	3.476	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)Nc2sccc2C#N)cc1	150728235	NWIVDGKZNXORIN-UHFFFAOYSA-N	315.398	3.093	10	20	DGCD	
CN(C)C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1	179634721	BRBFHSPJFJBGFV-SNVBAGLBSA-N	303.233	3.083	10	20	DGCD	
CC[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H](C)O1	707140241	OONJAKYWLBGTQH-MNOVXSKESA-N	314.223	3.154	10	20	DGCD	
COC[C@]1(C)CCN(Cc2cccc(Br)c2O)C1	381392521	SJTNWUJTXMMHGI-CQSZACIVSA-N	314.223	3.013	10	20	DGCD	
Cc1cn2nc(NCc3ccc4c(c3)CCCN4C)sc2n1	58555600	KIVFBQBMQHQXJF-UHFFFAOYSA-N	313.430	3.094	10	20	DGCD	
CCc1nc(NC(=O)N(C)Cc2ccccc2O)sc1C	174339410	HRDLQCULUHMZJJ-UHFFFAOYSA-N	305.403	3.383	10	20	DGCD	
COc1ccc(OCCN(C)Cc2cc(F)ccc2O)cc1	179887331	KUXFHODQXGETMG-UHFFFAOYSA-N	305.349	3.051	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1Cl	173191317	CWZUHILQRDFZRX-UHFFFAOYSA-N	316.788	3.445	10	20	DGCD	
C[C@@H]1CCC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1	173200441	VEPMNRUVGSJKHP-KGLIPLIRSA-N	302.418	3.304	10	20	DGCD	
CN(C)c1ccc(CNc2c([N+](=O)[O-])ccc3c2CCN3)cc1	302421535	IYDDADKEMCYICD-UHFFFAOYSA-N	312.373	3.241	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@@H](O)c1c(F)cccc1F	305797771	WEKIVZGLBVPPKJ-CYBMUJFWSA-N	313.731	3.147	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2F)cc1F	121693430	FLOZNWWRNPXVFO-HNNXBMFYSA-N	311.303	3.282	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(C)C)on2)c1	122622246	VDINXJSZLYXMLK-SNVBAGLBSA-N	304.346	3.003	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCSC1)c1ccc2ccccc2c1O	185638835	ZVLJLEAKPVHWOJ-PXAZEXFGSA-N	303.427	3.064	10	20	DGCD	
CC(C)CCO[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	75159969	INKRTSRMNWGPMT-CQSZACIVSA-N	319.445	3.338	10	20	DGCD	
Cc1ncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)s1	123412937	UKVKCLAARCQWNN-CYBMUJFWSA-N	317.458	3.139	10	20	DGCD	
C[C@H](C1CC1)N(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1	73915573	XOAIOODNMOVVNI-GFCCVEGCSA-N	319.424	3.364	10	20	DGCD	
C[C@@H](NCCSCCCO)c1ccc2ccccc2c1O	185378869	VRKKPWWTRYWQSL-CYBMUJFWSA-N	305.443	3.312	10	20	DGCD	
O=C(Nc1cccc(COCC2CC2)c1)c1cccc(O)c1O	187022495	MWNDVPIAJMBHDX-UHFFFAOYSA-N	313.353	3.277	10	20	DGCD	
CN(CCN1CCCC1)Cc1cc(Cl)cc(Cl)c1O	133905088	SJDYZMVRQSKVGG-UHFFFAOYSA-N	303.233	3.227	10	20	DGCD	
COc1ccc(C(C)(C)C(=O)Nc2ccc(N)cc2)cc1OC	237160390	ODCADQSRNDEYMH-UHFFFAOYSA-N	314.385	3.202	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1	268945011	BBDYZGCQNUIEBW-GUYCJALGSA-N	304.459	3.372	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2cscn2)C2CC2)cc1	263986795	FGGUOUQZZXICIT-UHFFFAOYSA-N	301.415	3.014	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](C(=O)O)C(C)C)cc1F	277312728	NMZSOGLNZIYLLV-AWEZNQCLSA-N	310.413	3.118	10	20	DGCD	
Cc1cnc(Cl)c(NC(=O)NCc2ccc(N(C)C)cc2)c1	276198751	NLBFBMFVMJILHS-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
CCn1ccnc1[C@H]1CCCCN1Cc1cc(F)ccc1O	370703164	YVNJHXIWHMKFMN-OAHLLOKOSA-N	303.381	3.475	10	20	DGCD	
C[C@@H](NC[C@@H](CO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O	815648714	UONAJKBKEHYNHE-OCCSQVGLSA-N	322.405	3.140	10	20	DGCD	
COc1ccc(COCCOc2ccc(N(C)C)cc2)cc1	810002536	ZZOHFSDDAQXZIM-UHFFFAOYSA-N	301.386	3.357	10	20	DGCD	
CCOC(=O)[C@H](C)[C@H](C)NCc1ccc2ccccc2c1O	816568529	JDNRCHWPIFPWSQ-OLZOCXBDSA-N	301.386	3.223	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCNCc1ccc2ccccc2c1O	816626011	SGYXLJFWRBFMMT-CQSZACIVSA-N	314.429	3.187	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(C(=O)N(C)C)cc1	813857693	YOJRJGJLWNDOJN-AWEZNQCLSA-N	324.424	3.174	10	20	DGCD	
C[C@@H](NC(=O)CCSc1ccccn1)c1ccccc1O	827937163	MRAAHZUTDVTNNF-GFCCVEGCSA-N	302.399	3.147	10	20	DGCD	
CCOc1cccc(CN2CCOC(C3CC3)(C3CC3)C2)c1O	827538592	RIGNOEVBUMRVPQ-UHFFFAOYSA-N	317.429	3.182	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(C(F)F)cc2)c1	734016798	HIWRGOUQBQJWPL-UHFFFAOYSA-N	307.296	3.268	10	20	DGCD	
Cc1cc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)n1	905449442	WNEVWKGWMFJRBN-UHFFFAOYSA-N	311.429	3.345	10	20	DGCD	
COc1ccc(CN[C@@H](C(=O)O)c2ccccc2F)cc1C	832340312	CLMUKTSUITXBPG-MRXNPFEDSA-N	303.333	3.058	10	20	DGCD	
COc1cc(O)c(CN2Cc3cccc(F)c3C2)cc1OC	839181872	DZJKKLMDBQGHPU-UHFFFAOYSA-N	303.333	3.064	10	20	DGCD	
Cc1cncc(/C=C/C(=O)N2C[C@@H](CC(=O)O)c3ccccc32)c1	832985915	CPFGYCXCJHJAHJ-LQYUOIDQSA-N	322.364	3.008	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)nc1N	830146856	MWGSIIZZDGQWLZ-UHFFFAOYSA-N	319.792	3.075	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H]2CCCC[C@H]12	841960941	YALVSZPMWFWBRE-XYPHTWIQSA-N	301.434	3.031	10	20	DGCD	
COc1cccc([C@@H]2C[C@H]2CNCc2c(O)cccc2OC)c1	840973399	LSLXOEHGWKXSNC-HOCLYGCPSA-N	313.397	3.303	10	20	DGCD	
CC[C@@H]1CCCCN1C(=O)CN(CC)c1ccc(OC)cc1	746109251	NHVIVWIPQLTZDD-OAHLLOKOSA-N	304.434	3.313	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](C)c2cc(Br)c(F)cc2O)CO1	842928292	JAIDBDXORDAAFM-IWSPIJDZSA-N	318.186	3.122	10	20	DGCD	
CCOCCOCCN[C@@H](C)c1cc(Cl)c(Cl)cc1O	927087380	NEKFDDOGPPCDAU-JTQLQIEISA-N	322.232	3.403	10	20	DGCD	
CCc1cc(NCc2c(O)cccc2Br)nn1C	858180358	SAFSLHRHNPDNRF-UHFFFAOYSA-N	310.195	3.063	10	20	DGCD	
COc1cc(CN[C@]2(C)CCO[C@H]2C)c(O)c(C(C)(C)C)c1	850244750	CJMWRWDEUMCQRW-KPZWWZAWSA-N	307.434	3.355	10	20	DGCD	
O=C(O)C1(CNCc2ccc(N3CCCCC3)cc2)CCCC1	756305912	DHSRMSFAXYNDBO-UHFFFAOYSA-N	316.445	3.412	10	20	DGCD	
CCN(CCN[C@H](C)c1cc(F)ccc1O)CCC(F)(F)F	756051415	VQLMSBOAPVKBEW-LLVKDONJSA-N	322.346	3.456	10	20	DGCD	
Cc1cnc(CNCCc2cc(C)n(-c3ccccc3)c2C)[nH]1	850013829	CBZHRFYONOEMFG-UHFFFAOYSA-N	308.429	3.458	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)c1	858460927	FHVUNFYQWUBARX-PXAZEXFGSA-N	312.369	3.022	10	20	DGCD	
C[C@H](Nc1cnn(-c2ccccn2)c1)c1cc(F)cc(F)c1O	756858249	SMUQOHCNQQGKFY-JTQLQIEISA-N	316.311	3.424	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)Cc2cc(C)cc(OC)c2O)C1(C)C	754740985	KDUIFSRJUWFRKM-HZPDHXFCSA-N	307.434	3.345	10	20	DGCD	
O=[N+]([O-])c1cc(CNC2CC=CC2)ccc1N1CCCCC1	759854642	UBVVJEYUAXZMBP-UHFFFAOYSA-N	301.390	3.393	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cnn(CC2CCCC2)c1	866597817	YXEMYXIGRHHXSE-UHFFFAOYSA-N	313.401	3.051	10	20	DGCD	
O=C(c1cc(O)cs1)N1Cc2ccc(Br)cc2C1	765867982	XALFJAUIKIVESE-UHFFFAOYSA-N	324.199	3.372	10	20	DGCD	
COc1cccc(O)c1CN[C@H]1CCOC2(CCCCC2)C1	767930576	WIXQJYGXFHDMAR-AWEZNQCLSA-N	305.418	3.372	10	20	DGCD	
CO[C@H](CNC(=O)c1cc(O)cs1)c1ccccc1Cl	764341152	CWLRLQPMYBFZNS-GFCCVEGCSA-N	311.790	3.225	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](C)CC2(C)OCCO2)c(O)c1C	866424793	HFPZRCWEPDAZMG-WFASDCNBSA-N	307.434	3.449	10	20	DGCD	
COc1cccc(O)c1CN1CCC(c2ccc(O)cc2)CC1	1116437818	UGRITZIUASOLIU-UHFFFAOYSA-N	313.397	3.486	10	20	DGCD	
OC1CCN(c2ccc(CN3CCc4ccccc43)cc2)CC1	876879200	OTYYKTCCPOQJLN-UHFFFAOYSA-N	308.425	3.210	10	20	DGCD	
Cc1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)c(O)c1	876557568	ZJTYJXXGUDALLH-UHFFFAOYSA-N	324.424	3.095	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)CCc3cnccn3)c2c1	770662726	XQFHOHFKWHDEAH-UHFFFAOYSA-N	323.396	3.019	10	20	DGCD	
CC(C)n1cc(CNCc2cccc(Br)c2O)cn1	775151416	FTATVKWJFFDSAL-UHFFFAOYSA-N	324.222	3.222	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1	773732211	ZKLOLBIDKWXSQR-QGZVFWFLSA-N	312.461	3.256	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)c(C)c2)C12CCC2	776165420	QQQGTHORBUNUHJ-ZWKOTPCHSA-N	302.462	3.498	10	20	DGCD	
CC(C)CO[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775737717	KCJHWDJFKPMDLO-ZDUSSCGKSA-N	301.789	3.432	10	20	DGCD	
CN(Cc1cc2c(cc1O)CCCC2)CC1(N(C)C)CCC1	783548243	GUUOBLRYUQHBBI-UHFFFAOYSA-N	302.462	3.187	10	20	DGCD	
Cc1nn(C)c(CN(C)Cc2ccc(N(C)C)cc2)c1Cl	891398685	YBRJXOWSOSACJI-UHFFFAOYSA-N	306.841	3.080	10	20	DGCD	
Cc1ccc(NCc2cccc(C)c2O)cc1N1CCNC1=O	787311048	CIGDWEUGEKIWIQ-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
C[C@@H](O)CCCN[C@H](C)c1cc(Br)cc(F)c1O	788604267	JGIRTHKKNHAORR-RKDXNWHRSA-N	320.202	3.105	10	20	DGCD	
CC(C)[C@@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	795760740	ODAKEUHXQFTCGA-GOSISDBHSA-N	318.461	3.089	10	20	DGCD	
COc1ccc(CNC(=O)/C=C/Sc2ccccc2)c(O)c1	794371199	YIZZRSJSCXXPHL-MDZDMXLPSA-N	315.394	3.323	10	20	DGCD	
CCC(CC)C(=O)NCCCNCc1ccc(OC)c(C)c1	1154834960	MOZITLUBRIIQRW-UHFFFAOYSA-N	306.450	3.036	10	20	DGCD	
c1cnn(-c2ccncc2NCc2ccc(N3CCCC3)cc2)c1	1325648021	VKDFIASMJUGHDM-UHFFFAOYSA-N	319.412	3.480	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C)CO[C@H]1CCOC1	1321024800	VWGRKGKLUXNEJG-QPSCCSFWSA-N	305.418	3.033	10	20	DGCD	
CC(C)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	16183861	YVLQFVQSGMWUOR-UHFFFAOYSA-N	308.333	3.275	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1c(F)cccc1[N+](=O)[O-]	1597772062	BPSKBUMANZSUNC-UHFFFAOYSA-N	309.249	3.167	10	20	DGCD	
CCN1CCc2cc(/C=C/c3ncc(C(=O)O)s3)ccc21	1776876682	SJLXLRKCYSHJBJ-GQCTYLIASA-N	300.383	3.394	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(F)cc2cccnc12	156214194	IBCUBCZMIQNQIN-UHFFFAOYSA-N	310.328	3.352	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Br)ccc2O)[C@@H](C)CO1	403839921	SGZROYZOKZFVJK-GWCFXTLKSA-N	314.223	3.154	10	20	DGCD	
CC(C)c1nn(C)c(Cl)c1C(=O)N(C)Cc1ccccc1O	175506534	VLZKYWUUVDTOIK-UHFFFAOYSA-N	321.808	3.175	10	20	DGCD	
Cc1[nH]c2ccccc2c1CC(=O)NCc1ccc(N(C)C)cc1	29061191	LFCPMMJQIHEOBH-UHFFFAOYSA-N	321.424	3.401	10	20	DGCD	
COCc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1	173016119	GDJZJYJSGSUVEZ-RVDMUPIBSA-N	316.426	3.289	10	20	DGCD	
Oc1c(Br)cccc1CNC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	300631554	WUXBBKCTEDMZHP-VDUILEQBSA-N	308.219	3.289	10	20	DGCD	
C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O	186171184	YDJCNRHQRAGTTN-OCCSQVGLSA-N	317.820	3.370	10	20	DGCD	
COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1Cl	177659393	DZWUSCGFNCLGMB-UHFFFAOYSA-N	307.733	3.321	10	20	DGCD	
CC[C@H](OC1CCCCC1)C(=O)N(C)Cc1ccccc1O	121461546	BMORVHUZIXEKDN-KRWDZBQOSA-N	305.418	3.479	10	20	DGCD	
C[C@@H]1CN(c2ccccc2F)CCN1Cc1ccccc1O	188033016	WXWLNCYVUYFAQU-CQSZACIVSA-N	300.377	3.242	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CCCO	123397479	NBMNCYZJHZQHNZ-NSHDSACASA-N	306.431	3.046	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(O)c1O	182251651	AJSQTVJAHVRJQE-UHFFFAOYSA-N	324.380	3.329	10	20	DGCD	
C[C@](O)(CNCc1cc(F)ccc1O)c1ccccc1Cl	184960348	XZOXHBMAIAWVOX-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
Cc1cccc(CNCCc2nc3c(F)cccc3n2C)c1O	181285564	LJCJNJQNMPVKBB-UHFFFAOYSA-N	313.376	3.059	10	20	DGCD	
O=C(Nc1ccccc1N1CCCCC1)c1cccc(O)c1O	188048911	ZTEVGIVDMZOHJO-UHFFFAOYSA-N	312.369	3.340	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CSc2cccc(F)c2)cc1	84841420	LVEMQKYUNLZXOI-UHFFFAOYSA-N	318.417	3.300	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCC(=O)N1CCCCC1	322661349	FYCVAOUACQKONV-LSDHHAIUSA-N	316.445	3.241	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@@H](c2ccc(F)cc2F)C1	190138301	JJSQGHNVNFJRPL-QGZVFWFLSA-N	323.314	3.383	10	20	DGCD	
COc1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cn1	348539789	BENHQBHHUNLAKM-UHFFFAOYSA-N	324.384	3.212	10	20	DGCD	
COc1cc(CN2C[C@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1	246042695	AMFCHNWXRIXEEB-STQMWFEESA-N	307.434	3.308	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@H](C)c2ccc(N(C)C)cc2)c1	268914887	NPQCMJWNMMXVBM-KUHUBIRLSA-N	314.429	3.145	10	20	DGCD	
CCN(CCO[C@@H]1CCCCO1)c1ccc(OC)c(OC)c1	277690143	LFFPIQIDSCLNAN-QGZVFWFLSA-N	309.406	3.073	10	20	DGCD	
C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1O	276901124	JBMBRIBERQDIAX-OTYXRUKQSA-N	311.303	3.194	10	20	DGCD	
CC[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccccc1O	274934486	RPLAWHRNYFZNHK-CABCVRRESA-N	307.340	3.445	10	20	DGCD	
COc1ccc([C@@H](CN(C)C)NCc2cccc(C)c2O)cc1	285112289	NMMNAZPASUZRTR-GOSISDBHSA-N	314.429	3.102	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1sc(C)cc1C	292274056	HGBWIAYKPPLPSU-UHFFFAOYSA-N	311.428	3.434	10	20	DGCD	
CSCC1CCC(NC(=O)N(C)Cc2ccccc2O)CC1	298119955	NKFCYJRHXBZQRS-UHFFFAOYSA-N	322.474	3.455	10	20	DGCD	
CN(C)[C@@H](CN[C@@H]1CCc2cccc(O)c21)c1cccc(F)c1	295883045	HUWAXRVTNDZLGR-SJORKVTESA-N	314.404	3.411	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ncc(C(F)(F)F)cn2)c(O)c1	296602415	VSTDMPHZEQURNO-SNVBAGLBSA-N	311.307	3.360	10	20	DGCD	
OCC1CCN(c2ccc(CN[C@H]3CC[C@H]3C3CC3)cc2)CC1	806133388	MGBWKZBRZZEYJD-PMACEKPBSA-N	314.473	3.174	10	20	DGCD	
CC[C@H](CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1)OC	811968189	DLLXZNAVGQUCKL-QGZVFWFLSA-N	321.465	3.099	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@H]1CCCCN1C1CC1	816592395	IYGKSBSIJWRICK-CYBMUJFWSA-N	312.816	3.291	10	20	DGCD	
CCOCc1cc(CN[C@H](C)CN(C)C(C)C)ccc1OC	810172663	NCVVBUUYWVQLTO-OAHLLOKOSA-N	308.466	3.050	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3csc(C)n3)C2)cc1	818220355	JQJVKLXJWVMFHK-AWEZNQCLSA-N	317.458	3.076	10	20	DGCD	
COCCN(Cc1ccc(C)s1)c1ccc2c(c1)OCCO2	727150404	PNRRKBCIRUAOKM-UHFFFAOYSA-N	319.426	3.481	10	20	DGCD	
COc1cc(O)c(CN2C[C@H](C3CC3)[C@H]2C2CC2)cc1OC	824941591	PVIOLQCYPLBGTG-RDTXWAMCSA-N	303.402	3.030	10	20	DGCD	
O=[N+]([O-])c1cc(CNCC2CCC2)ccc1N1CCCCC1	725848613	YUTFEUMUYPVZNA-UHFFFAOYSA-N	303.406	3.475	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]2CC(=O)O)cc1F	902005746	ALLWTDNXQLWOLO-CQSZACIVSA-N	308.397	3.111	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3C[C@@H](OC(C)C)C3)CC2)cc1	839147092	CXGJPILILHOOFA-UWUNEBHHSA-N	318.461	3.210	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@@H]1C	734517961	VSVHKMMPELOJNG-SUMWQHHRSA-N	303.450	3.439	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCCCO2)cc1	837355982	YDPATCZVTVIJEZ-SFHVURJKSA-N	304.434	3.108	10	20	DGCD	
CC[C@@H](N[C@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1O	834896558	LEFLXPKFCXJCJS-IAQYHMDHSA-N	307.825	3.451	10	20	DGCD	
C[C@H](NCc1nn(C)cc1Cl)c1cc(Cl)ccc1O	834881873	CRYLXSXPSDQZLE-QMMMGPOBSA-N	300.189	3.283	10	20	DGCD	
CN(C)c1ccc(CNCCCCC(=O)O)c(C(F)(F)F)c1	840997353	YQGOJRPBWLUTLT-UHFFFAOYSA-N	318.339	3.116	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCc3ccccc3NC2=O)c1	848559238	QWXJEHKKRHCRKI-SUMWQHHRSA-N	310.397	3.305	10	20	DGCD	
CC(C)C[C@@H](C)OCCc1nc(Cc2ccc(N)cc2)no1	843161920	RBRPWGYPOPJWAA-CYBMUJFWSA-N	303.406	3.236	10	20	DGCD	
CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CC1(C)C	841890746	KAZUZURKVHMNSG-RYUDHWBXSA-N	308.378	3.223	10	20	DGCD	
CCC(N)(CC)CNCc1cc(Br)cc(C)c1O	841031446	UJEAWXSEYKQVKR-UHFFFAOYSA-N	315.255	3.070	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC2CC(C)C2)cc1F	752964599	IFTYCALRBSZESB-UHFFFAOYSA-N	307.413	3.270	10	20	DGCD	
C[C@H](NC[C@H](O)[C@@H](C)c1ccccc1)c1cc(F)ccc1O	850572132	BLNMGQLIYQCCLZ-LXIYXOSZSA-N	303.377	3.347	10	20	DGCD	
O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(O)cs1	758716631	ZURWRFNQVJANJM-JSGCOSHPSA-N	321.373	3.243	10	20	DGCD	
Cc1nnc(CN(C)Cc2cc3c(cc2O)CCCC3)s1	853619349	XQSPEFAIDCILPZ-UHFFFAOYSA-N	303.431	3.063	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@H](C)c1cc(C)ccc1O	756711483	LIRBZSWNJWOPHT-CJNGLKHVSA-N	301.386	3.093	10	20	DGCD	
CC[C@@H](C)N(CCO)Cc1cc(OC)cc(C(C)(C)C)c1O	862387623	OMOHAXOGWKRTOJ-CYBMUJFWSA-N	309.450	3.291	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@H](OCC(F)(F)F)C1	876611877	UNTNWULDGYSRCK-LBPRGKRZSA-N	303.324	3.244	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1	778919990	SFLABTHULARKFL-JTQLQIEISA-N	305.761	3.171	10	20	DGCD	
CCc1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1	877058923	HSVAXLMWEPYCML-UHFFFAOYSA-N	324.468	3.500	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC[C@@H]4CCC[C@H]43)cc2)CC1	876638029	ABQQTDCBXWONEF-FXAWDEMLSA-N	314.473	3.412	10	20	DGCD	
CCOC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	775700275	MRKLPCOOIDLRIS-NSHDSACASA-N	301.789	3.433	10	20	DGCD	
CSC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773613334	QBEVTCMUDPOANC-BBRMVZONSA-N	321.490	3.351	10	20	DGCD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C1/SC(=S)NC1=O	787166548	ATXFFAWOTQUQJJ-CWQCMXISSA-N	306.368	3.030	10	20	DGCD	
COc1cc(C)cc(CNCc2ccc(N(C)C)cc2)c1O	894160046	KAOAZPYFXHUNFY-UHFFFAOYSA-N	300.402	3.065	10	20	DGCD	
CC[C@@H](CO)N(C)Cc1cc(Cl)cc(Br)c1O	894871449	UVTCVSUEOBLGAI-JTQLQIEISA-N	322.630	3.011	10	20	DGCD	
CC[C@@H](NCCCN1CCCCCC1=O)c1ccc(F)cc1O	796673063	PXVGSKUGQAGQQR-MRXNPFEDSA-N	322.424	3.365	10	20	DGCD	
CC[C@@H](NC1CCN(CC(F)F)CC1)c1ccc(F)cc1O	796737125	KIMMMFRSRSBPPT-CQSZACIVSA-N	316.367	3.302	10	20	DGCD	
COC(=O)CN(Cc1cc(C(C)(C)C)cc(O)c1O)CC(C)C	1319076162	FENXZMKQXZYGQJ-UHFFFAOYSA-N	323.433	3.026	10	20	DGCD	
CC[C@@H]1CCCN(c2nnc(-c3sccc3O)n2CC)C1	1339366061	AZHSVJLOTULLCV-LLVKDONJSA-N	306.435	3.359	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CC(C)(C)C[C@@H]1C	1520738831	PXZBAKVGTIRMKA-JTQLQIEISA-N	306.435	3.357	10	20	DGCD	
Cc1cc(Cl)cc(CN(CC(=O)O)Cc2ccccc2)c1O	1600218859	CVADKXCKZLDTOF-UHFFFAOYSA-N	319.788	3.441	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2cc(N)ccn2)cc1	1579674585	WNTRBTNDKHQHPM-UHFFFAOYSA-N	320.396	3.001	10	20	DGCD	
CCCN(Cc1cc(C(=O)O)c(CC)[nH]1)Cc1ccccc1O	1595885996	RKMNAGALZXJGCY-UHFFFAOYSA-N	316.401	3.393	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cn1	161256854	MIIVAVRJNRRVQY-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
Cc1nc(C2(NCc3ccc(N(C)C)cc3)CCCC2)no1	161366423	WNOLQJHTGDZJLJ-UHFFFAOYSA-N	300.406	3.003	10	20	DGCD	
C[C@H]1CC(NCc2c(O)cccc2Br)C[C@H](C)O1	706813235	WAIJCMNHNXXHCV-UWVGGRQHSA-N	314.223	3.200	10	20	DGCD	
Oc1cccc(Br)c1CNCCC1CCOCC1	706871557	IFMFGHWHLFEVLI-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@@H](CC)c1ccc(N(C)C)cc1	178715966	HRNFUIKKDUHLIW-YOEHRIQHSA-N	305.466	3.098	10	20	DGCD	
O=C(NCCCSc1nccs1)c1cccnc1Cl	114376014	LQDIEWVPBQEHNY-UHFFFAOYSA-N	313.835	3.104	10	20	DGCD	
C[C@H](Nc1cnn(CCO)c1)c1ccc(N2CCCCC2)cc1	305832299	OXBHQIAQWNENRS-HNNXBMFYSA-N	314.433	3.039	10	20	DGCD	
CC1CCN(c2ccc(CNc3ncnc4[nH]ncc34)cc2)CC1	301210556	TUBQVPXIKUTXTN-UHFFFAOYSA-N	322.416	3.201	10	20	DGCD	
CCC[C@@H](O)CN[C@H](CC)c1cc(Br)ccc1O	119240008	YVZMIYVSGYAZCR-DGCLKSJQSA-N	316.239	3.356	10	20	DGCD	
Cc1cc(C)cc(CNCc2ccc(N3CCOCC3)cc2)c1	67449294	IOVSJYBWTNMYIO-UHFFFAOYSA-N	310.441	3.430	10	20	DGCD	
Cc1cccc(CN2CCC(OC[C@H]3CCCCO3)CC2)c1O	180629286	OOXJPGUYLWUZIK-GOSISDBHSA-N	319.445	3.251	10	20	DGCD	
Cc1ccc(CCCC(=O)NCc2ccc(O)c(O)c2)s1	182546002	REPSEOUKLIJGCB-UHFFFAOYSA-N	305.399	3.107	10	20	DGCD	
Cc1cccc(CNCCCC(=O)N2Cc3ccccc3C2)c1O	182254673	QPBDCXLQZVLIHZ-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
C[C@H](NCCCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	185194512	MDGWJCMMZZYTDQ-VIFPVBQESA-N	319.232	3.218	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(Cl)n1	125583528	OGAWIZFCHZYEBD-UHFFFAOYSA-N	317.820	3.382	10	20	DGCD	
CCOc1cccc(CN(CCO)Cc2ccc(C)cc2)c1O	180845739	RPKQPHOSAKRQLA-UHFFFAOYSA-N	315.413	3.094	10	20	DGCD	
CN(C(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccccc2O)C1	180024804	CKOVFPBNSALMLV-HNNXBMFYSA-N	320.433	3.224	10	20	DGCD	
CC[C@@H](NCCC[C@@H](C)O)c1cc(Br)ccc1O	228036678	FHDJGJNZXBPNMF-ZWNOBZJWSA-N	316.239	3.356	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1CCCO1	46784464	LXGSDIAXJYMHPQ-GOSISDBHSA-N	316.445	3.204	10	20	DGCD	
Cc1[nH]ncc1CCCNCc1cc(Cl)cc(Cl)c1O	50182500	WSOAWRRZNQENBC-UHFFFAOYSA-N	314.216	3.453	10	20	DGCD	
COc1ccc2c(c1)CCCCN2C[C@H]1CC2(CCC2)C(=O)O1	276957000	LQERHCWWSHCDAC-MRXNPFEDSA-N	315.413	3.324	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccccc1O	274984504	ZSLBBEXZTHPNQX-DZKIICNBSA-N	304.434	3.080	10	20	DGCD	
COc1cccc(CN[C@@H](C)[C@@H](OC)c2ccccc2F)c1O	271922355	CGDVXMNWKOMSON-KPZWWZAWSA-N	319.376	3.406	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc3c(n2)CCCC3)cc1F	277726962	OGXDURUHKMXLCN-UHFFFAOYSA-N	313.420	3.455	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1O	287102648	QDNWWZOOCFJJKL-XJKSGUPXSA-N	324.852	3.345	10	20	DGCD	
Cc1ccc(O)c(CN2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)c1	283066212	PYBJPSYKXIACJS-IAGOWNOFSA-N	309.413	3.254	10	20	DGCD	
C[C@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C[C@@H](C)S1	387271597	WTYPDSQRJVIUNN-UBTSRBCMSA-N	322.386	3.023	10	20	DGCD	
COCCC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O	807840581	FHNSJTZBAWDDIX-UHFFFAOYSA-N	320.216	3.378	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cnccc1Cl	293729835	KMMGXKVKKRUTFG-UHFFFAOYSA-N	317.820	3.002	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)C(=O)N2CCCC2)c1O	808717585	FECJVWUWQPOBJE-RYUDHWBXSA-N	310.825	3.016	10	20	DGCD	
CC[C@@H](C)CONC(=O)c1cc(C)n(-c2ccccn2)c1C	816979536	QPMCTNUQDYXQSS-GFCCVEGCSA-N	301.390	3.197	10	20	DGCD	
Oc1c(CN2CC(O)(c3ccccc3)C2)ccc2ccccc12	816613935	ITJKOTJDZAZFJE-UHFFFAOYSA-N	305.377	3.249	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)s1	817939118	ZEZGXRIWUUKZNH-CZUORRHYSA-N	303.475	3.473	10	20	DGCD	
C/C=C/C[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)OCC	816591579	IOGKGPORFLXVPB-LQPUYASZSA-N	315.772	3.172	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CSc2ccccc2)c1	728980987	RKTZRKAJIQTRDY-LBPRGKRZSA-N	317.410	3.370	10	20	DGCD	
OCC1CCN(c2ccc(CN[C@H]3CCC[C@@H]4C[C@H]34)cc2)CC1	825138813	XVUFQNOEPBLECQ-HOJAQTOUSA-N	314.473	3.174	10	20	DGCD	
COc1ccc(O)c(CNCc2cc(Cl)c(C)cc2O)c1	825283766	SJAWWMZIIXBCQM-UHFFFAOYSA-N	307.777	3.358	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CC1CC1	830515539	BMGSDARNCUXJOB-UHFFFAOYSA-N	312.417	3.298	10	20	DGCD	
Cc1cccc(CN2CCC(CN)(c3ccccc3)CC2)c1O	904459529	UJTLBWUCMBVSGZ-UHFFFAOYSA-N	310.441	3.193	10	20	DGCD	
COc1ccccc1C(C)(C)CNC(=O)c1cc(O)cs1	732278341	IYBWJWHORFDQJK-UHFFFAOYSA-N	305.399	3.170	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCSC1	839922664	XWAQRHMYFGTLMM-GDBMZVCRSA-N	320.502	3.251	10	20	DGCD	
CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	917953990	ARQZNCSLIPUICD-UHFFFAOYSA-N	317.410	3.411	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2[nH]cnc2C)c1	747170228	CGBOHIXABKXMBI-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	746981162	MNDRNMNYJAEOKQ-HUUCEWRRSA-N	315.461	3.257	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)n1ccnc1	846096575	XJRQUCMLNTTXMQ-HNNXBMFYSA-N	315.417	3.369	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1	840946071	DZOYMFDQMNHWLS-MSOLQXFVSA-N	302.462	3.450	10	20	DGCD	
FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CCOC1	917103507	OTRSYYKLCWOROZ-NSHDSACASA-N	301.308	3.374	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C)[C@H](CN)C2)cc1F	841100817	KXAPIIJVYUAAKJ-GOEBONIOSA-N	307.457	3.089	10	20	DGCD	
CN(C)c1ccc(OCC(=O)NCc2cccc(Cl)c2)cc1	757717353	FWPSHGGSEDFVOA-UHFFFAOYSA-N	318.804	3.101	10	20	DGCD	
C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1O	756786225	ZHNQEVXDWYBWHF-JTQLQIEISA-N	322.311	3.472	10	20	DGCD	
COc1ccnc([C@H](C)NCc2ccc3c(c2)CCCN3C)c1	924869212	GCOKMECZTGQJMV-AWEZNQCLSA-N	311.429	3.323	10	20	DGCD	
CC[C@@H](CCO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	755989362	JDKNGVHJUZPBGQ-INIZCTEOSA-N	314.429	3.293	10	20	DGCD	
C[C@H](N[C@H]1CCN(C)[C@H](C)C1)c1cc2c(cc1O)CCCC2	756611147	KEPOWSMPXSUDHX-KEYYUXOJSA-N	302.462	3.404	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CC2(CC2)C1	854948139	LIOSXSUQXFVKQT-AWEZNQCLSA-N	300.446	3.298	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)C1CCOCC1	756628516	NKSOGWOSFKRRDD-WBMJQRKESA-N	321.417	3.035	10	20	DGCD	
CC1CCN(C[C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	850542950	DIEZKVGGCXKTMY-KGLIPLIRSA-N	321.421	3.071	10	20	DGCD	
COc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1O	858120820	NETPVPJUOMJXOK-UHFFFAOYSA-N	322.355	3.035	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)cc1	757851583	AWPDQOODOVCKPA-UHFFFAOYSA-N	303.333	3.257	10	20	DGCD	
Oc1cccc2c1C[C@@H](NCc1c(O)ccc(Cl)c1F)C2	758546595	QJKVANUMBBOXQN-JTQLQIEISA-N	307.752	3.147	10	20	DGCD	
CCOc1cccc(NCc2cc(Cl)cc(OC)c2O)n1	761216381	PVULXRJZIIFOMN-UHFFFAOYSA-N	308.765	3.460	10	20	DGCD	
COc1cc(CN2CCC(CCCN(C)C)CC2)c(O)cc1C	768465886	RTDQSUPYGJVKOM-UHFFFAOYSA-N	320.477	3.263	10	20	DGCD	
Oc1cc2c(cc1CN1CCCC3(CCCCC3)C1)[C@H](O)CO2	768447962	SBORZIPCLNJOFO-QGZVFWFLSA-N	317.429	3.364	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1c1ccsc1)[C@H](O)CO2	768439701	MRXKUCYNPBEAKL-GDBMZVCRSA-N	317.410	3.217	10	20	DGCD	
CS[C@@H](C)CCC(=O)NCc1ccc(N2CCCC2)cc1	773232780	SVYBDHKPGXIICE-AWEZNQCLSA-N	306.475	3.435	10	20	DGCD	
CN1CCCc2cc(CNCc3ccc4nccnc4c3)ccc21	873030768	KOGYUISFMLGKNX-UHFFFAOYSA-N	318.424	3.302	10	20	DGCD	
CC(C)Cc1ncc(NC(=O)N[C@H](C)c2ccccc2O)cn1	879436886	BASBOOZOBNNSRL-GFCCVEGCSA-N	314.389	3.263	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@@H](C)C[C@H](C)O)c1O	779050363	OUNVRXJUIJPOGJ-DCAQKATOSA-N	316.239	3.273	10	20	DGCD	
Cc1ncsc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773277101	QTOJXXLZYMYEKL-LLVKDONJSA-N	318.446	3.078	10	20	DGCD	
COc1ccccc1OCCCNCc1c(C)cccc1O	877010029	IPLCEGNNPCHMSN-UHFFFAOYSA-N	301.386	3.268	10	20	DGCD	
CC(=O)c1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	775411132	OUVFKCXRWYGMJO-AWEZNQCLSA-N	324.424	3.375	10	20	DGCD	
CCCc1nc(C)c(NC(=O)NCc2ccccc2O)s1	777013685	CAQOQQLQVRTUOU-UHFFFAOYSA-N	305.403	3.431	10	20	DGCD	
COCCOc1ccc(NCc2cc(F)cc(F)c2O)cc1	882908575	XCZMXQLATOMWIF-UHFFFAOYSA-N	309.312	3.308	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC=C(Cl)C1	892000660	RVJHEQMYBRCFSR-UHFFFAOYSA-N	319.836	3.325	10	20	DGCD	
CN=[S@](C)(=O)c1cccc(NCc2ccc(C)cc2O)c1	895731145	FDWNONIIGPRDQO-OAQYLSRUSA-N	304.415	3.399	10	20	DGCD	
C[C@H](NCc1cc(C(F)(F)F)n[nH]1)c1ccc(N(C)C)cc1	799342418	IMFIXUPYOYMOLD-JTQLQIEISA-N	312.339	3.345	10	20	DGCD	
NC(=O)NCc1ccc(NCc2ccc(N3CCCC3)cc2)cc1	1320409411	RRSKFPGJARVEFZ-UHFFFAOYSA-N	324.428	3.067	10	20	DGCD	
CC1(C)CCN(Cc2ccc(N3CCCC3)cc2)CC[S@@]1=O	1347794067	OWUATYYAFQSWLS-QFIPXVFZSA-N	320.502	3.020	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCN2CCC[C@@H]2C1	112017201	NYMJNZBFCOPNNC-QWHCGFSZSA-N	315.244	3.415	10	20	DGCD	
CC(=O)c1cc(F)cc(F)c1OCc1cc(C(=O)O)oc1C	1603103085	JDFNCTAPEUBEII-UHFFFAOYSA-N	310.252	3.346	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H](C(C)(C)C(=O)O)C2)c(O)c1	1605690666	MXVGHUYWIPCSOL-CQSZACIVSA-N	321.417	3.114	10	20	DGCD	
CCc1cccc(CN2CCC[C@@H](CN)[C@H]2C(F)(F)F)c1O	1578266719	PSRCDSYFTNPIOL-WFASDCNBSA-N	316.367	3.056	10	20	DGCD	
CN(Cc1ccc(C(=O)O)cc1)Cc1cc(F)c(F)cc1O	1598513448	WBEAWMCCSLWZGG-UHFFFAOYSA-N	307.296	3.001	10	20	DGCD	
CCC(C)(C)C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1	1754164738	NVUSTJWFVXFWDW-BQYQJAHWSA-N	318.461	3.202	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(Br)o2)cc1	18215112	NPGMKUBMPLGCBP-UHFFFAOYSA-N	323.190	3.038	10	20	DGCD	
CC(=O)CCCCCCC(=O)NCc1ccc(N(C)C)c(F)c1	162499034	SLOFGRFVWRKWMR-UHFFFAOYSA-N	322.424	3.438	10	20	DGCD	
Cc1c(CNCc2cc(Cl)cc(Cl)c2O)cnn1C	156574158	DDBXYQFNLXMKCN-UHFFFAOYSA-N	300.189	3.031	10	20	DGCD	
CCC[C@H](CNCc1cccc(Br)c1O)OCC	707865651	SKXIQPBKDMKXBS-GFCCVEGCSA-N	316.239	3.450	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2nccs2)cc1	80069384	KFXQNNXWULQPNZ-UHFFFAOYSA-N	304.419	3.311	10	20	DGCD	
COc1csc(C(=O)NCc2c(O)ccc3c2CCCC3)c1	80099887	WAAXXXKPCJUOPI-UHFFFAOYSA-N	317.410	3.271	10	20	DGCD	
CC[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C	104316183	WVOASFAJPJJNEF-QGZVFWFLSA-N	318.461	3.212	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(F)c1	115654233	SCFLGCZGWQUSEA-UHFFFAOYSA-N	315.392	3.200	10	20	DGCD	
CCOc1cc(F)ccc1NCc1cc2c(cc1O)OCO2	120134936	XCZDASUUZBBRSY-UHFFFAOYSA-N	305.305	3.271	10	20	DGCD	
Cc1cccc(C)c1CCNC(=O)N(C)Cc1ccccc1O	125377112	RSLRVKFHZFAAMS-UHFFFAOYSA-N	312.413	3.393	10	20	DGCD	
COCCN[C@H](C)c1cc(Br)cc(Cl)c1O	134906333	RGTPNAQZPQZVPW-SSDOTTSWSA-N	308.603	3.105	10	20	DGCD	
COc1ccc(OCCN(C)c2ccc(OC)c(OC)c2)cc1	140273019	JRVPADFIMKSDKK-UHFFFAOYSA-N	317.385	3.228	10	20	DGCD	
Cc1cc(C(=O)N2C[C@H]3CCC[C@@H]3C2)c(C)n1-c1ccccn1	153952485	HHKJNOQAUMNCOD-HZPDHXFCSA-N	309.413	3.361	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc2ccccc2c1O)C(=O)NC(C)(C)C	181234592	NJWFXNYZLJONKR-CHWSQXEVSA-N	314.429	3.499	10	20	DGCD	
Cc1ccc([C@@H](C)NCCC(=O)N2CCCCCC2)c(O)c1	185251837	VEXRXJAHTUNDHP-OAHLLOKOSA-N	304.434	3.144	10	20	DGCD	
C[C@H](NC[C@@H](C)N(C)C1CC1)c1cc2c(cc1O)CCCC2	185369055	RLJCZZGMEDDYOI-KGLIPLIRSA-N	302.462	3.404	10	20	DGCD	
CCOc1ccccc1N(C)C(=O)/C=C\c1cncc(F)c1	255559003	ZRPRYAXTWYGWAF-HJWRWDBZSA-N	300.333	3.296	10	20	DGCD	
CC[C@H](C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	269712397	OBMUNFZONUABQC-HNNXBMFYSA-N	306.450	3.305	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CCO[C@@H](CC(C)C)C2)cc1OC	271955119	CIOSQJVRUCNABB-CABCVRRESA-N	323.433	3.093	10	20	DGCD	
C[C@@H](Nc1ccc(CCO)cc1)c1cc([N+](=O)[O-])ccc1O	273346966	AVKXKIKMWIOJRU-LLVKDONJSA-N	302.330	3.008	10	20	DGCD	
CCOCc1cc(CNCC2(COC)CCC2)ccc1OC	282111988	UBFLBHNZLSGLFU-UHFFFAOYSA-N	307.434	3.138	10	20	DGCD	
CC[C@H](NC1CCC2(CC1)OCCO2)c1ccc(F)cc1O	285567170	HOUOTQZCAQXLOC-HNNXBMFYSA-N	309.381	3.258	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(-n2ccnn2)c1	286879627	ICYPIHYTBZALOG-HNNXBMFYSA-N	321.428	3.184	10	20	DGCD	
CCN(CC)c1ccc(CNc2cccc3c2CNC3=O)cc1	290057817	GYEFIZDQBHQJPB-UHFFFAOYSA-N	309.413	3.388	10	20	DGCD	
CC[C@@H](CN[C@@H](C)c1cc(Br)ccc1O)OC	290184487	NTZHRQCVXZWCEX-ONGXEEELSA-N	302.212	3.230	10	20	DGCD	
CN1CC[C@@]2(CCN(Cc3cc(Cl)cc(Cl)c3O)C2)C1	292881518	XRIMDZSVWBQXDN-OAHLLOKOSA-N	315.244	3.227	10	20	DGCD	
CC[C@H](NCC1(COC)CCOCC1)c1ccc(F)cc1O	293788133	UFXNQDBFXSTZTD-HNNXBMFYSA-N	311.397	3.015	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1	367684778	LLVGFASPQICZQO-CVEARBPZSA-N	319.445	3.430	10	20	DGCD	
COCCOCCCCN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21	387568050	IZMNAKUUUFKBRN-CABCVRRESA-N	307.434	3.282	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cc(Br)ccc2O)CS1	397924538	JIRFADWGGOSVKI-KCJUWKMLSA-N	302.237	3.138	10	20	DGCD	
Cc1c(CNC(=O)N[C@H]2CS[C@@H](C)C2)n(C)c2ccccc12	413508517	URFUQHKUBASSGL-WCQYABFASA-N	317.458	3.180	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1CCOc2cccc(F)c21	492664929	YLDBWHPSSNENHS-WAYWQWQTSA-N	304.346	3.029	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CNC1CCOCC1	708057295	SFLGXFDEYSUVLT-UHFFFAOYSA-N	320.614	3.077	10	20	DGCD	
Cc1ccc(C(=O)OCCO[C@@H]2CCCC[C@@H]2C)c(O)c1O	727004063	MBUFOYVZWIXESH-SMDDNHRTSA-N	308.374	3.158	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCCC2(CCOCC2)C1	742159139	MZPAKWINJCJJRH-UHFFFAOYSA-N	312.413	3.333	10	20	DGCD	
CCN(CC)c1ccc(CNCCC(=O)OC(C)(C)C)cc1	742371856	AEXUXDIEWKFFMM-UHFFFAOYSA-N	306.450	3.354	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CC[C@@H](C)O1	743293413	YSNWNTFJLZCCAH-CRAIPNDOSA-N	318.461	3.449	10	20	DGCD	
Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccccc1O	748350384	PGDGENDPLICGRD-UHFFFAOYSA-N	310.328	3.318	10	20	DGCD	
CCC1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1	752028734	ITUXSEDSSFHQBS-UHFFFAOYSA-N	301.434	3.058	10	20	DGCD	
Oc1cc(OCc2ccccc2)ccc1CNCc1cocn1	753566402	PLUVLIMKEPTMHE-UHFFFAOYSA-N	310.353	3.249	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)Cc2cc(C)cc(OC)c2O)C1(C)C	754740987	KDUIFSRJUWFRKM-JKSUJKDBSA-N	307.434	3.345	10	20	DGCD	
C[C@H](NCc1ccon1)c1cc(Br)cc(F)c1O	756635747	HIHIAHHMTZQDKN-ZETCQYMHSA-N	315.142	3.133	10	20	DGCD	
COc1ccc(N2CCCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1	768997256	BYPMJRHJGRNETI-BZSNNMDCSA-N	312.457	3.420	10	20	DGCD	
Cc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)sc1C	770721685	NACVZPKDYFTZLD-LLVKDONJSA-N	303.431	3.317	10	20	DGCD	
C[C@@H](NC(=O)C=C1CCSCC1)c1ccc(N(C)C)cc1	773002163	YKMZYHVYUQLFLG-CYBMUJFWSA-N	304.459	3.383	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCCCC1	774484978	UGSJXXFSQJTSKU-HUUCEWRRSA-N	317.477	3.241	10	20	DGCD	
C[C@@H](NCc1cnc(N(C)C)s1)c1ccc(N(C)C)cc1	775365126	UIEBJYTXIDBRND-GFCCVEGCSA-N	304.463	3.126	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NOC2CCCC2)C2CC2)cc1	775485890	BLBFLAJIBHUIHU-UHFFFAOYSA-N	317.433	3.301	10	20	DGCD	
C[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@H]1C)c1ccc(N(C)C)cc1	776268710	FNUNESBEBHLWES-FZKCQIBNSA-N	317.477	3.191	10	20	DGCD	
C[C@@H](NC(=O)N1CC2(CCCC2)C1)c1ccc(N(C)C)cc1	779659930	CPOGTAGATMHZHR-CQSZACIVSA-N	301.434	3.399	10	20	DGCD	
CCN(CCCCCS(=O)(=O)CC)c1ccc(OC)cc1	789340695	COFHKTPNJFIUNB-UHFFFAOYSA-N	313.463	3.127	10	20	DGCD	
COc1ccc(CNC(=O)c2cccc(-n3cccc3)c2)c(O)c1	794376883	KTDGSYRTQVUHID-UHFFFAOYSA-N	322.364	3.122	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)CN(C)C	814138675	ZOAJLVABPDGQCJ-LBPRGKRZSA-N	319.474	3.083	10	20	DGCD	
O=C(OCC(=O)c1ccc(O)c(O)c1)/C(F)=C/C1CCCCC1	814540581	ZBJGKLABUMWRPM-JYRVWZFOSA-N	322.332	3.257	10	20	DGCD	
CC[C@H](CNCc1cc(C)c(C)cc1O)NC(=O)OC(C)(C)C	824660516	DGKNYGVUIYLZKQ-OAHLLOKOSA-N	322.449	3.402	10	20	DGCD	
CC[C@H](N[C@H]1CCO[C@H](c2ccnn2C)C1)c1ccccc1O	825045749	KPLOMUULWROGLE-YEWWUXTCSA-N	315.417	3.087	10	20	DGCD	
CCSc1cc(C(=O)N[C@H](C)c2ccccc2O)ccn1	827930377	IJUAROMCVNKUNH-LLVKDONJSA-N	302.399	3.390	10	20	DGCD	
CON1CCC(N(C)Cc2cc(Cl)cc(Cl)c2O)CC1	835076557	ROVHIIWKXNWCDK-UHFFFAOYSA-N	319.232	3.157	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@](C)(CC)OC)cc1	836242445	NKWSCGYSLNQGTR-GOSISDBHSA-N	321.465	3.147	10	20	DGCD	
CO[C@@](C)(C1CC1)[C@@H](C)NCc1cc(Cl)cc(F)c1O	840961028	PKBJIANFXWJULI-RFAUZJTJSA-N	301.789	3.478	10	20	DGCD	
CCOc1cccc(CNCC(C)(C)c2cccnc2)c1O	840974609	CTOBDIIKRFWQSE-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCNC1	841033488	OZKZBUTVMAWIDA-FUHWJXTLSA-N	301.478	3.155	10	20	DGCD	
CCC[C@H](NC(=O)Nc1ccc(N)cc1)[C@H](O)c1ccccc1	841296622	GPQNGLXJBVHSAD-DLBZAZTESA-N	313.401	3.293	10	20	DGCD	
CCC1CCC(N(C)C(=O)NCCc2ccc(N)cc2)CC1	841958374	ZRXXZQQIAZHUBR-UHFFFAOYSA-N	303.450	3.422	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)cc1	846932760	TWBRRIMOWLPDPJ-GOSISDBHSA-N	312.461	3.112	10	20	DGCD	
Cc1noc(CN(C)Cc2ccc(N3CCCCC3)c(C)c2)n1	847086110	LVZDHHHALJVSDB-UHFFFAOYSA-N	314.433	3.309	10	20	DGCD	
CC(C)N1CCN(CCCSc2ncc(Cl)s2)CC1	850000511	XRCANBIUNLCWFW-UHFFFAOYSA-N	319.927	3.305	10	20	DGCD	
CC[C@H](NCc1c(O)cccc1Br)[C@H](O)C(C)C	858177848	HIVRWMSGMYKUOY-GXTWGEPZSA-N	316.239	3.040	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC(F)(F)C(F)(F)F	865904125	JSPUGUTXFCQEOX-UHFFFAOYSA-N	324.293	3.265	10	20	DGCD	
C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)Oc1ccccc1	868253061	LUMDVFCTQYHQPN-ZIAGYGMSSA-N	314.385	3.220	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](OCc3ccccn3)C2)cc1C	877645385	JUUARZYOEUKNEW-SFHVURJKSA-N	312.413	3.195	10	20	DGCD	
CCc1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)nc1	881210651	WOYRWGBTDKZION-NSHDSACASA-N	315.373	3.241	10	20	DGCD	
C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1	903447832	CWYJLXUHWLVXBY-CXAGYDPISA-N	318.490	3.163	10	20	DGCD	
Cc1ccc(C(=O)N2CC=CC2)cc1-n1c(C)cc(C=O)c1C	909996350	QLKMFYBLUWGBTO-UHFFFAOYSA-N	308.381	3.227	10	20	DGCD	
Cc1noc(C)c1C[C@@H](C)NCc1ccc2c(c1)CCCO2	921762885	QYKDJMREWUQIAX-GFCCVEGCSA-N	300.402	3.337	10	20	DGCD	
C[C@@H]1CCN(c2nnc(-c3sccc3O)n2C)C[C@H](C)C1	1262854823	XJRYBCXNPMGPBJ-GHMZBOCLSA-N	306.435	3.122	10	20	DGCD	
C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N)cc1	1346740236	ZCGDLHZBUFKHHC-YJBOKZPZSA-N	323.440	3.432	10	20	DGCD	
CC[C@@H](C)C[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)O	1594953322	NQJASHVYZWYLID-PRHODGIISA-N	303.761	3.164	10	20	DGCD	
C[C@@H](NCc1cc(C(=O)O)cs1)c1ccc(N(C)C)cc1	1604343119	XNFBUMZGHSDHMY-LLVKDONJSA-N	304.415	3.363	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](C)[C@H](C(=O)O)C(C)C)ccc21	1776875114	GPNPCLNHSJHQAZ-KBXCAEBGSA-N	318.461	3.294	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2cc[nH]c12	173187987	QFIFFXMFQMHXFM-UHFFFAOYSA-N	321.380	3.273	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)c3cccs3)C2)cc1	62574853	NWYWSINFPIHMQL-CYBMUJFWSA-N	316.426	3.013	10	20	DGCD	
O=C(N[C@H]1CCSc2c(F)cccc21)c1cccc(O)c1O	186923663	WPFMEUJYBKVVNM-LBPRGKRZSA-N	319.357	3.204	10	20	DGCD	
C[C@H](NC[C@H]1CCCC[C@H]1C(=O)O)c1ccc(N(C)C)cc1	316310523	KLVDBCIKEFEJKH-YSVLISHTSA-N	304.434	3.294	10	20	DGCD	
CC1CCC(=CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	183450885	QJALQKTYCDRXKU-ABLWVSNPSA-N	303.402	3.282	10	20	DGCD	
C[C@H](NCCc1ccccn1)c1cc(Br)ccc1O	181006889	PJVLIFUORZSZPJ-NSHDSACASA-N	321.218	3.443	10	20	DGCD	
COc1ccccc1C[C@H](C)N(C)C(=O)Nc1ccc(N)cc1	321515594	NJEXKMLBPFVUES-ZDUSSCGKSA-N	313.401	3.372	10	20	DGCD	
C[C@@H]1CN(C(C)(C)CN[C@H](C)c2ccc(F)cc2O)C[C@@H](C)O1	248518046	POFYIRWCXUABBK-MGPQQGTHSA-N	324.440	3.070	10	20	DGCD	
C[C@H](N[C@@H](C)c1nncn1C)c1ccc(N2CCCCC2)cc1	268824463	AWCBTEOUTUQMLL-GJZGRUSLSA-N	313.449	3.217	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)c(C)c2O)[C@]12CCCO2	274120551	AJZJCTXAVKGPIK-ITQYTPKQSA-N	319.445	3.386	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)Cc3ncon3)c2C)c1	272151631	WDXKSZXOLCAHGH-UHFFFAOYSA-N	324.384	3.058	10	20	DGCD	
COc1ccc(N2CCC(NCCCCOC(C)C)CC2)cc1	373287050	UJNNTEOXVHVLQD-UHFFFAOYSA-N	320.477	3.459	10	20	DGCD	
CC[C@@H](NCC1(C(N)=O)CCCC1)c1cccc(Cl)c1O	287547470	FKOBMFFPLPJFNM-CYBMUJFWSA-N	310.825	3.132	10	20	DGCD	
CCCC[C@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	800333268	QQLLRRRMMFHXGQ-AWEZNQCLSA-N	322.424	3.309	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CSC[C@H]1C	807477655	VRWPPKZJHOZGST-CZUORRHYSA-N	321.490	3.036	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)ccc1C	808095361	YTHXZFGPZPWEAQ-UHFFFAOYSA-N	304.386	3.425	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc(C(F)F)cc2)ccc1O	808098292	ILJFQTUPNJPATL-UHFFFAOYSA-N	313.325	3.439	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](F)C(F)(F)F)cc1	809974490	ZZKWUKWHVQAACO-CYBMUJFWSA-N	320.330	3.392	10	20	DGCD	
CC[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cn1	817942775	QVVXXSMQQGPEQI-SJORKVTESA-N	316.424	3.027	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O	824716376	SZMAHFNHAMQRBC-CFVMTHIKSA-N	313.800	3.310	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)c2nnc3ccccn23)cc1Cl	825070886	OFQQBZIDLOUHEC-NSHDSACASA-N	316.792	3.248	10	20	DGCD	
C[C@H]1CSc2ccccc2N(C(=O)/C=C\c2cn(C)cn2)C1	824462106	PJUDYOPDLCSTQP-MEJMFZKBSA-N	313.426	3.208	10	20	DGCD	
Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cn1	827354810	TUPSKFXPTDVKPL-UHFFFAOYSA-N	317.820	3.421	10	20	DGCD	
C[C@H]1CSC[C@@H]1NCc1ccc(N2CCSCC2)cc1	823665844	AWEJGEHDJQMMDD-BBRMVZONSA-N	308.516	3.081	10	20	DGCD	
COc1cccnc1CN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	834907234	ZEGVESPXNOMAIY-JQWIXIFHSA-N	302.349	3.273	10	20	DGCD	
C[C@H](CCO)CCN[C@H](C)c1cccc(C(F)(F)F)c1O	834829949	AGIJUFUEFBIGSR-WDEREUQCSA-N	305.340	3.470	10	20	DGCD	
CC[C@H](N[C@H]1C[C@H]2CCCCN2C1=O)c1cccc(Cl)c1O	834916442	YTHMCLPTDVPVSS-UGFHNGPFSA-N	322.836	3.240	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC=C(c2ccc(O)cc2)CC1	732259074	LIWYZIWFVZDGGY-UHFFFAOYSA-N	301.367	3.089	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1[C@H]2CCC[C@H]12	839920464	PSEJPQXOXMDTAH-JQFCIGGWSA-N	300.446	3.154	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1F	918374302	APMVTHJRXLOPPZ-UHFFFAOYSA-N	314.360	3.223	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C3CCC2CC3)cc1	918228390	JGZUGSTVLLPBLF-UHFFFAOYSA-N	301.434	3.369	10	20	DGCD	
CCC1CCC(CNC(=O)NCc2cccc(OC)c2O)CC1	745780292	GZMPOVXTRGZLGY-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
COc1cc(CN2CCC[C@@H](OC3CCC3)C2)c(O)cc1C	848497636	NVLPFCAKFNUBIO-MRXNPFEDSA-N	305.418	3.243	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc(N(C)C)cc2)c1O	846136938	MDVOBKWWLHWYLA-ZDUSSCGKSA-N	300.402	3.318	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCN2CCC[C@H]2C1	840895492	YUQZXTAIXZYMOS-HQRMLTQVSA-N	315.505	3.208	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1	845997940	FZMZSGZOZCAGBW-UHFFFAOYSA-N	310.397	3.224	10	20	DGCD	
CC1CCN(CCCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756364025	RWWHSEXFUYRGCW-CQSZACIVSA-N	321.421	3.073	10	20	DGCD	
COc1cc(CNC[C@@H](C)C[C@H](C)O)c(O)c(C(C)(C)C)c1	850153125	AJWPYVDRQUSLLA-STQMWFEESA-N	309.450	3.195	10	20	DGCD	
C[C@H](COCC(F)(F)F)NCc1ccc2c(c1)CCCO2	921611065	DPKIVLBERCORCZ-LLVKDONJSA-N	303.324	3.069	10	20	DGCD	
C[C@H]1C[C@H](N[C@H](C)Cc2cnccn2)c2c(O)ccc(F)c21	756495866	SQQSVZFFSGZCMC-WDMOLILDSA-N	301.365	3.090	10	20	DGCD	
CSC(C)(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	854947548	AKYHNFDORDOXGJ-ZDUSSCGKSA-N	308.491	3.250	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1coc(C2CC2)n1	763249491	UECZHFXUVCDUFH-UHFFFAOYSA-N	313.401	3.280	10	20	DGCD	
CCN1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1C	769382053	SYTSMGVDMHBYTM-QGZVFWFLSA-N	301.478	3.203	10	20	DGCD	
COCC1(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1	766119450	IZYFIKNBNYJPKI-UHFFFAOYSA-N	312.413	3.311	10	20	DGCD	
COCCOc1ccc(NCc2c(C)cccc2O)cc1F	876823168	AHACQBDCNLYURC-UHFFFAOYSA-N	305.349	3.477	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@H](c2ncc[nH]2)C1	775658739	PUDSANLZFJWXAU-JTQLQIEISA-N	309.772	3.287	10	20	DGCD	
COc1cc(Br)cc(CN2CCC(F)(F)C2)c1O	776692849	DZJDWGQCIQHIOD-UHFFFAOYSA-N	322.149	3.004	10	20	DGCD	
COc1cccc([C@@H](CNCc2ccc(C)cc2O)OC)c1	877647926	JOKYUIOSSDNSEK-GOSISDBHSA-N	301.386	3.187	10	20	DGCD	
CN1CCN(Cc2ccc(N(C)C)cc2)[C@@H](c2ccccc2)C1	771935585	YSFJWXUUVPLEAM-HXUWFJFHSA-N	309.457	3.241	10	20	DGCD	
CCOC(=O)c1ccc(CNCc2ccc(N(C)C)cc2C)o1	776174760	SPCYIRUJOZSRNR-UHFFFAOYSA-N	316.401	3.121	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc(C)c(C)cc1O	779431986	JEXYZKCQNBAFNV-QAPCUYQASA-N	305.418	3.221	10	20	DGCD	
C[C@@H]1CCCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	775996641	LGXYXBSGZKOPPL-OAHLLOKOSA-N	306.425	3.284	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@]2(C)CCCOC2)cc1	772901988	GVLLTSFHCBADFD-IBGZPJMESA-N	312.413	3.393	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)CCCOC2)cc1	781112803	GCBBSYMZNSMERB-LJQANCHMSA-N	318.461	3.308	10	20	DGCD	
COc1ccc(CNCc2nc(-c3ccccc3)no2)cc1C	788433346	VNSOZJAPAIBIPR-UHFFFAOYSA-N	309.369	3.343	10	20	DGCD	
COc1ccc(CN2CC[C@@H](C3CCCC3)C2)c(O)c1OC	894972831	GGVMUXJVKCHGFN-CQSZACIVSA-N	305.418	3.422	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CO)C(C)(C)C)c(C(F)(F)F)c1	793076286	NYUPALRADWTFCA-CQSZACIVSA-N	318.383	3.268	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3occ4c3CCC4)ccc21	795833209	QKPHIEATOGJKQW-UHFFFAOYSA-N	310.397	3.081	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1	894793798	IWQQSMGBEFODSE-ZBFHGGJFSA-N	309.356	3.204	10	20	DGCD	
CCC1(CC)[C@@H](OC)C[C@H]1NCc1ccc(OC)c(OC)c1O	893172116	MCIOFWQFCOACOD-CABCVRRESA-N	323.433	3.093	10	20	DGCD	
C[C@@H](C[C@@H](C)O)NCc1ccc(N(C)C)cc1C(F)(F)F	793075319	ZEBYKFZHAHMSLI-WDEREUQCSA-N	304.356	3.020	10	20	DGCD	
COc1ccc(N(CCC(C)C)CC(=O)NCC2CC2)cc1	796502332	CKZQXSKFYBZKKF-UHFFFAOYSA-N	304.434	3.074	10	20	DGCD	
C[C@H](O)C[C@H]1CCCCN1Cc1c(O)ccc(Cl)c1F	790934287	JTQPVNNUOFFOIO-WDEREUQCSA-N	301.789	3.310	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc2nonc2c1	1326341228	YVILVCXAZZLONQ-UHFFFAOYSA-N	308.341	3.075	10	20	DGCD	
Cc1cc(C)c2c(c1)CN(C(=O)NCc1ccc(N)cc1)CC2	1337070298	MHXXDUJIHHVLHV-UHFFFAOYSA-N	309.413	3.154	10	20	DGCD	
COc1ccc(N(CC(C)C)C[C@@H]2CC(C(=O)O)=C(C)O2)cc1	1607268089	HBMUMULOYLCDNC-INIZCTEOSA-N	319.401	3.305	10	20	DGCD	
C[C@@H](C(=O)O)N(C/C=C\c1ccc(N(C)C)cc1)C1CCC1	1589485672	BJZDHHDQLDTBPS-GXMNPTEKSA-N	302.418	3.093	10	20	DGCD	
C[C@@H](NCc1cccc2cccnc12)c1cc(C(=O)O)ccc1O	1593303224	FOHDDHBUPYWUHJ-GFCCVEGCSA-N	322.364	3.489	10	20	DGCD	
C[C@@H](N(C)C(=O)NCCCSc1nccs1)C1(C)CC1	154604046	VABMKCSPWKJLFB-LLVKDONJSA-N	313.492	3.455	10	20	DGCD	
CC[C@@H](N[C@H](C)COC)c1cc(Br)ccc1O	19904827	QMQMBBCPZUBVPU-BXKDBHETSA-N	302.212	3.230	10	20	DGCD	
CC[C@H]1CN(Cc2c(O)cccc2Br)C[C@H](C)O1	707140242	OONJAKYWLBGTQH-QWRGUYRKSA-N	314.223	3.154	10	20	DGCD	
O=C(COC1CCCCC1)NCc1ccc(N2CCCC2)cc1	52807235	WPGNNSIRPNELKS-UHFFFAOYSA-N	316.445	3.252	10	20	DGCD	
c1cnc2ncnc(NCc3ccc(N4CCCC4)cc3)c2c1	178868036	IHKGXZSYEDOWSN-UHFFFAOYSA-N	305.385	3.237	10	20	DGCD	
Oc1ccc(F)cc1CN(Cc1ccco1)C[C@H]1CCCO1	179977870	LSRUYTCUXPWSMZ-MRXNPFEDSA-N	305.349	3.306	10	20	DGCD	
CN(C[C@H]1CCCN1Cc1ccccc1O)C(=O)OC(C)(C)C	179584578	ZQNANYGIWHHQCH-OAHLLOKOSA-N	320.433	3.224	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C[C@@H]1OCCc2ccccc21	115710030	HZMICLSQISCJON-SFHVURJKSA-N	311.381	3.055	10	20	DGCD	
Cc1noc([C@@H](C)N(C)Cc2ccc(N3CCCC3)cc2)n1	1261554111	UJPOHABCUJPALE-CYBMUJFWSA-N	300.406	3.171	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC2(CCC2)C1	176808682	VQCSXCDMHHJOBM-UHFFFAOYSA-N	313.445	3.372	10	20	DGCD	
CC[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(N(C)C)cc1	127401163	WYXOKQBWMSBMQO-IERDGZPVSA-N	310.507	3.341	10	20	DGCD	
CC[C@H]1CCCCN1CCN[C@@H](C)c1cc(OC)ccc1O	185443150	BZZKCVXWYFOUIL-GJZGRUSLSA-N	306.450	3.316	10	20	DGCD	
CSC[C@H](CCO)N[C@@H](C)c1cc2c(cc1O)CCCC2	185530549	TYRKPMCVORRIKX-WFASDCNBSA-N	309.475	3.036	10	20	DGCD	
Oc1ccccc1CNCCc1nc(-c2ccccn2)cs1	76894601	KUHSIKBYCNGWIP-UHFFFAOYSA-N	311.410	3.243	10	20	DGCD	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccccc1O	127186135	PRAIZRIPFIHWNC-AWEZNQCLSA-N	308.385	3.166	10	20	DGCD	
CCOCCN[C@@H](C)c1cc(Br)cc(C)c1O	187020296	GACSCDKJRLZTNF-JTQLQIEISA-N	302.212	3.150	10	20	DGCD	
CCc1ccccc1CC(=O)N[C@@H](C)c1cc(OC)ccc1O	188909517	SBSAKLJUPMQIKE-ZDUSSCGKSA-N	313.397	3.383	10	20	DGCD	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1ccc(N)cc1	237391355	SISMIKNDQSUXRA-CWTRNNRKSA-N	312.388	3.390	10	20	DGCD	
COc1cccc([C@@H](CN[C@H](C)c2ccccc2O)OC)c1	527920593	NYSBLEYQLMETAZ-FZKQIMNGSA-N	301.386	3.439	10	20	DGCD	
Cn1cc([C@H]2CSCCN2Cc2c(O)cccc2Cl)cn1	276734377	CDZGKKMBISQJFT-CQSZACIVSA-N	323.849	3.069	10	20	DGCD	
CC[C@H](NC[C@H](O)c1cccc(OC)c1)c1ccccc1O	271689738	KAPLHWMKPCLYFM-WMZOPIPTSA-N	301.386	3.175	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](c2ccccc2)C1	281581959	POOXENIPAAKWQM-QAQDUYKDSA-N	310.397	3.480	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H]1CCN(c3ccccc3)C1)CC2	295989336	NPYWSVLNKVUKAC-MAUKXSAKSA-N	308.425	3.496	10	20	DGCD	
COCCOc1ccc(CN[C@@H]2CCc3cccc(O)c32)cc1	295986912	NOPHAJKFHMOOJH-QGZVFWFLSA-N	313.397	3.195	10	20	DGCD	
C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(N(C)C)c(F)c1	809701402	XMGSSYZFWYQRKE-HOCLYGCPSA-N	308.441	3.407	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)C[C@H](C)[S@@]1=O	809700620	KRHNUBSMTWAHBF-REDKUUPNSA-N	322.518	3.264	10	20	DGCD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	800328536	OJZHBPOZCUVPRO-HDMKZQKVSA-N	316.445	3.107	10	20	DGCD	
CO[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1	298728401	GEIIFPPOSGRCOX-IBGZPJMESA-N	324.424	3.291	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1cnc2n1CCCC2	816603867	RMVHKDOKWPQULR-UHFFFAOYSA-N	309.772	3.007	10	20	DGCD	
CC[C@H]1CN(C)CCN1Cc1cc(Cl)cc(Cl)c1O	816660881	SQIAQIMMJWCSNA-LBPRGKRZSA-N	303.233	3.225	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc3cc(C)ccc3n2)c1	815835245	OARFGSQFGIWXSI-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
OC[C@@H]1Cc2ccccc2N(Cc2c(O)ccc(Cl)c2F)C1	814169720	LTTKDVLFNKUPIA-LLVKDONJSA-N	321.779	3.356	10	20	DGCD	
COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1C	810210683	BGHJMVJYBRHZDY-RVDMUPIBSA-N	316.426	3.460	10	20	DGCD	
CC[C@H](N[C@@H](C)CN(C)C)c1ccc(C(F)(F)F)cc1O	810239843	IDJNZZYFRFYJRO-GWCFXTLKSA-N	304.356	3.402	10	20	DGCD	
COCC[C@@H](C)NC(=O)c1sccc1-n1c(C)ccc1C	725722213	QMRTUFLBMBBGAJ-LLVKDONJSA-N	306.431	3.310	10	20	DGCD	
C[C@H](c1ccccc1)N(CC[S@](C)=O)Cc1ccccc1O	828564202	NNOQTXXVHWDKCI-QRQCRPRQSA-N	317.454	3.334	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc2c(c1)CCCO2)c1ccccc1O	827952652	ZYEQYHOJCCIUBU-CYBMUJFWSA-N	311.381	3.137	10	20	DGCD	
Cc1cc(O)c(CNCCC(=O)NC2CCCCC2)cc1Cl	825131540	PIBLZTYNOOKKFY-UHFFFAOYSA-N	324.852	3.283	10	20	DGCD	
CCOc1ccc(N(CC)Cc2cc(C(=O)OC)co2)cc1	726597496	RJRSTHKKTGWSFJ-UHFFFAOYSA-N	303.358	3.491	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCCS1	839918083	JMXQIWMQPVJFKZ-CZUORRHYSA-N	306.475	3.004	10	20	DGCD	
CCc1cccc(CN2CCC(C(=O)C(F)(F)F)CC2)c1O	848903877	FZJBFUCFSPKMGJ-UHFFFAOYSA-N	315.335	3.298	10	20	DGCD	
CC[C@H]1C[C@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1C	745828748	VCCRAYAUWOVVQE-BBRMVZONSA-N	303.450	3.391	10	20	DGCD	
O=C(O)[C@@H](CC1CCCCC1)NCc1ccc2c(c1)CCO2	841812020	SRCSIQCVYDDVEO-MRXNPFEDSA-N	303.402	3.135	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C2CCC2)C1	840302576	QSRXUOBTXYPCJF-KRWDZBQOSA-N	315.461	3.393	10	20	DGCD	
CCc1cccc(CN2CC(c3nc4ccccc4[nH]3)C2)c1O	848887786	FHUSMYJTRMFRCM-UHFFFAOYSA-N	307.397	3.430	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCCn3ccnc32)cc1F	848527858	GJDAYZQYLSRHIR-MRXNPFEDSA-N	316.424	3.493	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1(C)CC=CC1	847385611	CXWHIHIQCWBBRS-OAHLLOKOSA-N	315.461	3.400	10	20	DGCD	
CCN(CCCNC(=O)Nc1ccc(N)cc1)c1ccccc1	841302085	LFENEBZFRWNNKY-UHFFFAOYSA-N	312.417	3.307	10	20	DGCD	
CCC[C@H](C)[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841956398	ALVUXXCMVGNPJJ-YOEHRIQHSA-N	303.450	3.422	10	20	DGCD	
C[C@H]1CC[C@@H](C)[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1	749925516	XFSKMNMZALBZCW-UOIKSKOESA-N	306.425	3.187	10	20	DGCD	
CO[C@@H](CC(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O	841436123	IXEPCBBPKRPVMP-LBPRGKRZSA-N	320.216	3.376	10	20	DGCD	
CCc1cccc(CNCCc2ccc(OC)cc2OC)c1O	848895082	OZYBAVYRFZSCBW-UHFFFAOYSA-N	315.413	3.304	10	20	DGCD	
COc1cccc(CCN[C@@H](C)c2cc(F)ccc2O)c1OC	756420079	BCSGGKRIQABORG-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)c(F)c1	756757529	OMACARDKHXFAIS-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C=CCC3)ccc21	855423106	DVYIGLYSNXMBNN-MRXNPFEDSA-N	312.413	3.353	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@H]1CCN(C3CCCCC3)C1)CC2	850538924	OGWGKIGDIHOKQL-DOTOQJQBSA-N	300.446	3.376	10	20	DGCD	
CC[C@H](C)N(CC)C(=O)NCc1ccc(N2CC=CC2)cc1	853775997	JPWGROUJNUKMSL-HNNXBMFYSA-N	301.434	3.393	10	20	DGCD	
CCOc1ccc(CN2CCC(OCC3CC3)CC2)c(O)c1	769502058	TVMCATKZXLQIJR-UHFFFAOYSA-N	305.418	3.182	10	20	DGCD	
CN1CCN(c2ccc(CNC3(C)CCCCC3)cc2)CC1	771827674	NRMLROPAWNSVHA-UHFFFAOYSA-N	301.478	3.251	10	20	DGCD	
C[C@H]1CCC[C@@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)C1	775649397	QXLBPWLPOXOHJF-FXAWDEMLSA-N	315.505	3.449	10	20	DGCD	
COc1ncc(/C=C/C(=O)N2CCC[C@H](C)c3ccccc32)cn1	775898445	WRKCHLNNWXYAFL-HBWSCVEGSA-N	323.396	3.429	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1nccs1)c1ccc(N(C)C)cc1	773621590	CLTAWTVUIMPURR-LBPRGKRZSA-N	318.446	3.112	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cc(C)c(C)cc1O	779431987	JEXYZKCQNBAFNV-YJBOKZPZSA-N	305.418	3.221	10	20	DGCD	
CC(C)N(C)C(=O)C1CCN(Cc2cccc(Cl)c2O)CC1	775655312	DGBHDUSMUIABGW-UHFFFAOYSA-N	324.852	3.124	10	20	DGCD	
CC[C@@H](C)c1nc([C@H](C)NCc2cc(F)cc(F)c2O)n[nH]1	883102167	IJCDXUHPEAMFDH-BDAKNGLRSA-N	310.348	3.153	10	20	DGCD	
O=C(NCCOc1cccc2ccccc12)c1cccc(O)c1O	776339831	CPVXDYCBVSUTMC-UHFFFAOYSA-N	323.348	3.060	10	20	DGCD	
C[C@@H](NC(=O)c1noc2c1CCCC2)c1ccc(N(C)C)cc1	773008312	NPFMNQSZDWDERI-GFCCVEGCSA-N	313.401	3.110	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(F)cc2F)c(O)c1	794760299	NDTHJRSKIFEISC-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
CN(Cc1cc(F)cc(F)c1O)C[C@@](C)(O)c1ccccc1	895055929	ZJHBZGIAPSQDOE-QGZVFWFLSA-N	307.340	3.010	10	20	DGCD	
COc1ccc(CNC(=O)C(C)(C)c2ccc(C)cc2)c(O)c1	794380597	FFDSHYBKNFPDNI-UHFFFAOYSA-N	313.397	3.303	10	20	DGCD	
COc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)c(O)c1OC	892120345	GXUKCTGDDIZXBL-ZFWWWQNUSA-N	323.458	3.269	10	20	DGCD	
CC[C@@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1O	796837322	WOFGEKQBNWATDA-GOEBONIOSA-N	323.408	3.300	10	20	DGCD	
CC1(CNCc2ccc(Br)cc2O)CCOCC1	691477368	SAHQZFKHBBKDJB-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
CCCCN(CC)Cc1ccc(N2CCN(C)CC2)c(F)c1	1324702438	YMEIZOYJXSARIB-UHFFFAOYSA-N	307.457	3.200	10	20	DGCD	
Nc1ccc(CNC(=O)NCCC2CCC(F)(F)CC2)cc1	1336988693	ATHBSLHEBNZAAQ-UHFFFAOYSA-N	311.376	3.284	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCC[C@@H](F)C2)c(C)n1-c1ccccn1	1261499185	DPJJFPWBAZSBPJ-CABCVRRESA-N	315.392	3.500	10	20	DGCD	
O=C(O)c1ccc2c(c1)CN(Cc1cc(Cl)cc(F)c1O)C2	1610843391	HZCKZIXKXNABCT-UHFFFAOYSA-N	321.735	3.399	10	20	DGCD	
CSc1ccc(CNCc2ccc(C(=O)O)cc2O)cc1	1777404553	MVZCQQKUUSCANI-UHFFFAOYSA-N	303.383	3.102	10	20	DGCD	
C[C@H]1CCc2c(C(=O)NCc3ccc(O)c(O)c3)csc2C1	159115616	AQWOGMRHMNCAHO-JTQLQIEISA-N	317.410	3.214	10	20	DGCD	
COC(C)(C)CNCc1cc(Cl)cc(Br)c1O	708100186	SQCNXNPSGSRLAH-UHFFFAOYSA-N	322.630	3.323	10	20	DGCD	
C[C@@H]1C[C@H](CNCc2c(O)cccc2Br)[C@@H](C)O1	686508363	OPWAZFXGPXZZOC-GMTAPVOTSA-N	314.223	3.058	10	20	DGCD	
CC[C@H](C)[C@@H](CNCc1cccc(Br)c1O)OC	381108991	BUAICGQWJJMSQK-GXFFZTMASA-N	316.239	3.305	10	20	DGCD	
CCCCNC(=O)[C@@H]1CCCN(Cc2cc(C)c(C)cc2O)C1	50901700	GASNNCHKVCAWAH-MRXNPFEDSA-N	318.461	3.137	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C=C(C2CC2)C2CC2)cc1F	58734092	RCEFXPXOOKBHRW-UHFFFAOYSA-N	302.393	3.254	10	20	DGCD	
C[C@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1O	176985542	UKYKRGHVAJBDEW-WDEREUQCSA-N	320.330	3.066	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCC1CCCC1	173206143	RKHXFTDFELXKNQ-UHFFFAOYSA-N	302.418	3.448	10	20	DGCD	
CCN1CC[C@H](NCc2ccc(N3CCCC3)cc2)[C@H](C)C1	173362621	WLFCGFDGJAFYMB-APWZRJJASA-N	301.478	3.107	10	20	DGCD	
Nc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1	237995312	ZBDIVGBZOBHBTG-MRXNPFEDSA-N	309.413	3.120	10	20	DGCD	
CCOC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N(C)CC)cc2)C1	186460715	KTVUUBHJJVDKQJ-GOEBONIOSA-N	319.449	3.024	10	20	DGCD	
CC[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(N(C)C)cc1	122250339	WMVJECOQBFKJLI-GOSISDBHSA-N	311.429	3.092	10	20	DGCD	
CC(C)(C)CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	78080730	VUOYIKVWKKKNKY-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
COc1ccc(N(C)Cc2nnc(C3CC3)n2C2CC2)cc1F	181423987	GFXBPYCWJLUIMO-UHFFFAOYSA-N	316.380	3.275	10	20	DGCD	
CSCc1cccc(CNCc2cc3c(cc2O)OCO3)c1	189477804	IJJDGPPNDDFWGS-UHFFFAOYSA-N	317.410	3.274	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCSC	77643818	BYQPIDZJFNSAFY-ZDUSSCGKSA-N	310.463	3.455	10	20	DGCD	
CCO[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	42423872	AYCITAFVOIDFKU-AWEZNQCLSA-N	311.809	3.249	10	20	DGCD	
Cc1cccc(CN2CCC(Oc3ccc(F)nc3)CC2)c1O	191673359	JSNBHZXZOHRXRL-UHFFFAOYSA-N	316.376	3.278	10	20	DGCD	
CN1CCN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc21	255336455	FQUXGLAEGVJGGP-CLFYSBASSA-N	313.788	3.231	10	20	DGCD	
CC[C@@H](C)n1ncc(C(=O)NCc2ccccc2O)c1C1CC1	270463542	GAWCTHMAAMQPEX-GFCCVEGCSA-N	313.401	3.367	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)NCc1ccc(N2CCCC2)cc1	273114978	LVWQUGRTNQNBIY-RMKNXTFCSA-N	321.424	3.320	10	20	DGCD	
Cc1ccc([C@H](C)NCc2nnc3n2CCCCC3)c(O)c1C	273363603	DJRUMGLSNSMKQK-AWEZNQCLSA-N	314.433	3.178	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC[C@@](O)(C(F)(F)F)CC1	289814555	SZKVJCCVUWCWCP-ZDUSSCGKSA-N	323.742	3.325	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2CC[C@H](O)C2)c(C(F)(F)F)c1	280631219	QKGWDFKBAAEHNV-FZMZJTMJSA-N	316.367	3.022	10	20	DGCD	
COc1ccc(CNC/C=C/c2ccc(F)c(F)c2)c(O)c1	809658525	QHTRFSPQWMVKSO-NSCUHMNNSA-N	305.324	3.482	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CCN3)c1	817950661	WAPMCLWPRJZNDO-LLVKDONJSA-N	312.369	3.320	10	20	DGCD	
CC(=O)NCC[C@@H]1CCCN(Cc2cc(Cl)c(C)cc2O)C1	825939755	GUWCXOVNZPNEBY-AWEZNQCLSA-N	324.852	3.092	10	20	DGCD	
CC[C@]1(C(=O)O)CCCN(C/C=C/c2ccc(N(C)C)cc2)C1	904399020	WVKCXXPFXOCRED-XZXOBPBMSA-N	316.445	3.343	10	20	DGCD	
C[C@H]1CC[C@H](CNCc2ccc(N(C)C)cc2C(F)(F)F)O1	835085984	DCBLMBKEYLNRNJ-SMDDNHRTSA-N	316.367	3.429	10	20	DGCD	
CC(C)[C@@H](N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21)c1nncn1C	903067142	ZAOMYFRKGIUWTM-RSAASHCRSA-N	318.396	3.195	10	20	DGCD	
CCn1nc(C)c(CN(CC2CC2)c2ccc(OC)cc2)n1	831594558	VVRRYRIAXCFRDW-UHFFFAOYSA-N	300.406	3.032	10	20	DGCD	
CCOCC(C)(C)NC(=O)NCc1ccc(N(CC)CC)cc1	837726818	TUWSOJKBLFABGJ-UHFFFAOYSA-N	321.465	3.147	10	20	DGCD	
COc1ccc(CN[C@@H](CC(=O)O)c2ccccc2F)cc1C	904045815	PCTKZMYAXURFBR-INIZCTEOSA-N	317.360	3.448	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	916584307	AGXKQCNXGFQUKZ-UHDSXZAQSA-N	314.429	3.358	10	20	DGCD	
C[C@H](N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1	749129643	RZAMYQNJXUJBMZ-BLLLJJGKSA-N	308.853	3.398	10	20	DGCD	
CC(C)[C@@H](C)SCC(=O)N(C)Cc1ccc(N(C)C)cc1	840201696	OURPHTKNERYCGH-CQSZACIVSA-N	308.491	3.489	10	20	DGCD	
Cc1cc(CN2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c(O)c(C(C)(C)C)c1	840127451	DFLAOTGUZSTVIA-CWLKWCNXSA-N	313.441	3.383	10	20	DGCD	
COc1ccc(CN[C@@H](CC(=O)O)c2ccsc2)cc1C	841795420	QTOAKCYIKMWRKK-AWEZNQCLSA-N	305.399	3.371	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@H](C)C2)cc1	844856259	MLXVLGPHAPJDDN-LSDHHAIUSA-N	304.434	3.026	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccsc2Cl)cc1	841042181	LKZPPSVSQVOVNO-AWEZNQCLSA-N	309.866	3.257	10	20	DGCD	
C[C@@H]1[C@H](CO)CCCN1Cc1cc(Cl)cc(Cl)c1O	840978976	QRIZFIGPTGFYMB-ZJUUUORDSA-N	304.217	3.292	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2C[C@H]2C)cc1	858486607	WWJMYQULQUUKCS-DYVFJYSZSA-N	324.424	3.221	10	20	DGCD	
CS[C@@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751299935	RULNTBFRDBWORC-NSHDSACASA-N	312.398	3.086	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)C3(OC)CCC3)C2)cc1	850475292	YXQGEDFSZUUNDS-HOTGVXAUSA-N	318.461	3.069	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2c(C)noc2C)c1	756576262	ZBFCJGRSNYNDEM-NXEZZACHSA-N	318.373	3.195	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c2c(O)ccc(F)c21	756606027	KPZAEMYEKBGOKA-NFOJOHSHSA-N	305.393	3.483	10	20	DGCD	
CCOc1cccc(CNC[C@@H]2CCCN(CC3CC3)C2)c1O	853093140	DMTUNGDMHHJGOZ-INIZCTEOSA-N	318.461	3.003	10	20	DGCD	
CC[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)O1	756906773	ASJAYFGGDVLABB-QZTJIDSGSA-N	318.461	3.449	10	20	DGCD	
C[C@H]1Cc2ccccc2N(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768463289	QZQPLHXKPVMWBL-SGTLLEGYSA-N	311.381	3.017	10	20	DGCD	
CC1(C)C[C@H]2C[C@@](C)(CN2Cc2cc3c(cc2O)OC[C@H]3O)C1	768437978	MKWLWZXLXJAYRL-URKNILKWSA-N	317.429	3.219	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)OC(C)C)cc1	769525182	PSCHACSJHDNYEJ-OAHLLOKOSA-N	306.450	3.305	10	20	DGCD	
CCO[C@@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)C1CC1	1118877227	CNOPXVORVADQJV-QGZVFWFLSA-N	322.424	3.103	10	20	DGCD	
CSC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	877663578	VFGPPMYKQTXTED-UHFFFAOYSA-N	316.810	3.281	10	20	DGCD	
CO[C@@H]1[C@H](C)[C@H](NCc2ccc(N3CCCC3)cc2)C1(C)C	776155168	ZUGOQVRPWGAAAJ-FHLIZLRMSA-N	302.462	3.436	10	20	DGCD	
O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(O)cs1	776495372	ZDXQMMVNRCSPER-NSHDSACASA-N	322.817	3.116	10	20	DGCD	
CC(C)(CO)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1	787769791	IRMORZDEYCLYJR-LJQANCHMSA-N	311.425	3.471	10	20	DGCD	
O=[N+]([O-])c1cc(CN2CC[C@H](CF)C2)ccc1N1CCCCC1	895575323	RNVKDTUWTSQJMI-OAHLLOKOSA-N	321.396	3.377	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2csc(N(C)C)n2)c(O)c1	788607693	CBSJVBWETBVAMK-LBPRGKRZSA-N	305.447	3.382	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@@H](C)CC(C)C)cc1C	1147395101	ZCWPEUSCDBCBBT-HNNXBMFYSA-N	320.477	3.282	10	20	DGCD	
CSC1(CNC(=O)NCc2ccccc2O)CCCCC1	1337068312	FXRHLXNUZZFMGK-UHFFFAOYSA-N	308.447	3.257	10	20	DGCD	
Cc1cccc(CN[C@H](C)[C@H](Cc2ccccc2)C(=O)O)c1O	1600532642	XNASOUTWKKAUJR-PBHICJAKSA-N	313.397	3.122	10	20	DGCD	
CN(C)c1ccc(CNc2ncnc3cc(C(=O)O)ccc23)cc1	1777040335	KGZDMTIHYYUXKY-UHFFFAOYSA-N	322.368	3.006	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)[C@@H]2CC=CCC2)cc1	1776860504	MBRHGXQHFKKGOU-SJLPKXTDSA-N	316.445	3.432	10	20	DGCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccoc1	165199900	CPVVWOFLSIVHLR-ZDUSSCGKSA-N	304.365	3.106	10	20	DGCD	
COc1cc(C)ccc1CNC(=O)N(C)Cc1ccccc1O	155628099	YACPSPMSUQDGJS-UHFFFAOYSA-N	314.385	3.051	10	20	DGCD	
CCO[C@H]1CCCN(Cc2cc(Br)ccc2O)C1	155433584	OKASFALFLDTFSV-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
C[C@@H](Cn1ccnc1)NCc1cc(Cl)cc(Cl)c1O	37158027	OBPSPBCBRBUUEO-VIFPVBQESA-N	300.189	3.074	10	20	DGCD	
Oc1c(Br)cccc1CNCCC[C@@H]1CCOC1	402351109	ZRMJPMSWZMKTTO-LLVKDONJSA-N	314.223	3.061	10	20	DGCD	
Cc1ncc(CNCc2c(O)cccc2Br)s1	706821285	BCABEWLLMSFYLF-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
CC[C@@](C)(CO)NCc1cc(Cl)cc(Br)c1O	708098311	HTGMKMYVKMYCBY-LBPRGKRZSA-N	322.630	3.059	10	20	DGCD	
COc1ccc(N(CC(N)=O)Cc2ccc(C(C)C)cc2)cc1	10504853	OVRQUCJONJZLDU-UHFFFAOYSA-N	312.413	3.311	10	20	DGCD	
COCC[C@@](C)(O)CN[C@@H](C)c1ccc(N2CCCCC2)cc1	178365466	NKLWCKWTZOVSKP-QFBILLFUSA-N	320.477	3.115	10	20	DGCD	
CCn1cc(C(=O)NCc2cccc(OC)c2O)c2ccccc21	171869414	FDLLRXQFAJNRIS-UHFFFAOYSA-N	324.380	3.305	10	20	DGCD	
CC[C@H](C)[C@](C)(O)CNCc1cc(Br)ccc1O	112380068	CFBOIUJLEWFPPD-IINYFYTJSA-N	316.239	3.041	10	20	DGCD	
COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2)cc1OC	63616879	YNWRKCQJLSTKJS-UHFFFAOYSA-N	302.330	3.248	10	20	DGCD	
CCCc1cnc(NC(=O)/C=C/c2ccc(O)c(O)c2)s1	181320466	FCXCMYUZLGNEIW-FNORWQNLSA-N	304.371	3.159	10	20	DGCD	
CC[C@@H](C)OCC(=O)NCc1ccc(N2CCC(C)CC2)cc1	128183144	UOLWCZKIOFFXPR-MRXNPFEDSA-N	318.461	3.354	10	20	DGCD	
CCCN(Cc1cc(Cl)cc(C(C)=O)c1O)C1CCNCC1	315286163	VEXMNAANEOWDIP-UHFFFAOYSA-N	324.852	3.212	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC2CCN(C(=O)C(C)(C)C)CC2)c1	319775704	LPBGPKHPOWEYLH-CQSZACIVSA-N	318.461	3.388	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1c1ccccc1	180898859	AVMPAVKQCNLPLQ-PXUDHTSWSA-N	309.365	3.475	10	20	DGCD	
CC(C)c1noc([C@H](C)N2CCOc3cc(N(C)C)ccc32)n1	130448532	WSDDREDCXKNGEP-LBPRGKRZSA-N	316.405	3.219	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1	246502230	SPZFODGSSWFYRY-ZBFHGGJFSA-N	317.477	3.193	10	20	DGCD	
OC[C@@H](CNCc1c(O)cccc1Cl)Cc1ccc(F)cc1	264967351	QAZNFLRRIXQCCU-CYBMUJFWSA-N	323.795	3.126	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2O)CC[C@H]1NC(=O)OC(C)(C)C	271440198	RRJKIRJDOURHAF-UKRRQHHQSA-N	320.433	3.127	10	20	DGCD	
COc1ccc(N2CCC(NCC(C)(C)CCCO)CC2)cc1	361682238	PJKZXOICYXJHHH-UHFFFAOYSA-N	320.477	3.052	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCC(=O)[C@H]2C)cc1	280037491	WKPSXTBOQSDYBB-HOCLYGCPSA-N	316.445	3.154	10	20	DGCD	
Cc1ccc(N2CCOCC2)cc1NCc1cc(F)ccc1O	280881659	CRVDSWKHUVWJBI-UHFFFAOYSA-N	316.376	3.288	10	20	DGCD	
C[C@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(N(C)C)cc1	285518985	BRKVBECQOSJPRD-FDQGKXFDSA-N	317.477	3.097	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CSC(F)F	294618572	FCWNQUAYZQOPDV-UHFFFAOYSA-N	302.390	3.057	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@](C)(OC)C1CC1	292335623	OMDIXVSXGWCUIT-GOSISDBHSA-N	320.433	3.129	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCC1(O)CCCCCC1	816552094	APIFZQBXRQEBBF-UHFFFAOYSA-N	301.789	3.360	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CC(C)(C)CC	819696619	YBYOVYSYCXGZHW-UHFFFAOYSA-N	321.417	3.110	10	20	DGCD	
CN(C)c1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1F	727658646	ILWMLRWAVISMSB-FMIVXFBMSA-N	316.357	3.298	10	20	DGCD	
CCOCCN(CC)Cc1c(O)c(C(=O)O)cc2ccccc12	737170610	ZVDBMWPCZGLLQT-UHFFFAOYSA-N	317.385	3.102	10	20	DGCD	
CCCCn1ncc(C(=O)N[C@H](C)c2ccccc2O)c1C	827940808	ITCSVHQIWCIYCZ-GFCCVEGCSA-N	301.390	3.188	10	20	DGCD	
O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc(O)cs1	732268481	LUPVXMBEMNXUAU-HNNXBMFYSA-N	316.426	3.021	10	20	DGCD	
CN(C)c1ccc(/C=C\CN[C@H](CC(=O)O)C(C)(C)C)cc1	904002278	RHHPILYZBUIEJV-MWWKQMNYSA-N	304.434	3.245	10	20	DGCD	
CC1(C)CC[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	839144635	ISUQFLXHBJBIJD-AWEZNQCLSA-N	324.415	3.470	10	20	DGCD	
O=C(c1ccccc1)C1CCN(C(=O)c2cc(O)cs2)CC1	731868188	QENKXCGZJIJORA-UHFFFAOYSA-N	315.394	3.189	10	20	DGCD	
CC(C)CN(CCC(=O)O)Cc1cc(Cl)cc(F)c1O	833486941	VTVRWBKXZFSUAQ-UHFFFAOYSA-N	303.761	3.117	10	20	DGCD	
COC(=O)c1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1	839563181	HORGDPMMTQPTFG-LBPRGKRZSA-N	318.442	3.452	10	20	DGCD	
Cc1cc(CCCC(=O)NCc2ccc(O)cc2O)c(C)s1	910951316	RSNXBGIOBCMBCV-UHFFFAOYSA-N	319.426	3.415	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H](CO)Cc2ccccc21	590049638	XLWWQYUPNNQILR-PXTSUWAFSA-N	324.380	3.279	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)C[C@H](C)N)c(C)n1-c1ccc(F)cc1	843506577	ZELXKPIMRQWLQZ-NWDGAFQWSA-N	317.408	3.089	10	20	DGCD	
Cc1nnc(-c2cccc(NC(=O)c3cc(O)cs3)c2)o1	743711473	NXYGITSZUHPCPG-UHFFFAOYSA-N	301.327	3.064	10	20	DGCD	
C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N2CCOCC2)cc1	840818050	GIEFTOGEIWLNRF-SKWUIDRYSA-N	300.446	3.362	10	20	DGCD	
CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCc2ccccc21	841962004	KEKIFKZWAUPBGD-GOSISDBHSA-N	309.413	3.140	10	20	DGCD	
C[C@H]1[C@H](CO)CCCN1Cc1ccc(N2CCCCC2)cc1	840978137	LKEMROZDUMYQNJ-WMZOPIPTSA-N	302.462	3.270	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc2nc(O)[nH]c2c1	921738877	VRSSOBRPNVVUGO-GFCCVEGCSA-N	323.396	3.444	10	20	DGCD	
CCOCCC1(CNC(=O)NCc2cc(C)ccc2O)CCC1	858302799	LCDZATKHQSBFSL-UHFFFAOYSA-N	320.433	3.097	10	20	DGCD	
O=C(CCOCc1ccccc1)NCc1cc(Cl)ccc1O	857547662	OMQXQAHGFDSVCR-UHFFFAOYSA-N	319.788	3.269	10	20	DGCD	
Cc1cc(CCN[C@@H](C)c2cnnn2C)c(C)n1-c1ccccc1	924590496	WMJJNJWMVAUKHV-HNNXBMFYSA-N	323.444	3.116	10	20	DGCD	
Oc1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1)CC2	850386491	JUJUZVVLIMYGRA-FQEVSTJZSA-N	324.424	3.006	10	20	DGCD	
Clc1csc(NCc2ccc(N3CCOCC3)cc2)n1	858361473	ROCLYRFSAFSCSN-UHFFFAOYSA-N	309.822	3.245	10	20	DGCD	
CCC[C@@H](O)CN[C@H](C)c1cc(Br)c(F)cc1O	756578005	UQHLDGIBLCRITA-RKDXNWHRSA-N	320.202	3.105	10	20	DGCD	
C[C@H](NCC[S@](=O)c1ccccc1)c1ccc(N(C)C)cc1	765905635	AUZWCLNAMRGQLD-NYHFZMIOSA-N	316.470	3.211	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCc2ncc(C(C)(C)C)o2)c1	862757162	JOZMIJGHBLLPFU-UHFFFAOYSA-N	316.401	3.235	10	20	DGCD	
CCc1cccc(CN2CCC[C@](O)(c3ccccc3)C2)c1O	862482654	KNQKZUVBCLDMGZ-HXUWFJFHSA-N	311.425	3.438	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C(=O)OC)C(C)(C)C)cc1	768524801	QOFNWMKZNHZLBB-MRXNPFEDSA-N	306.450	3.210	10	20	DGCD	
COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(O)cs1	768731292	CHKGDIXVXOYYNG-LBPRGKRZSA-N	317.410	3.312	10	20	DGCD	
NC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F	863646018	FTUBLRIYCZKJLP-JQWIXIFHSA-N	322.758	3.005	10	20	DGCD	
CC(C)C(C)(C)CNCc1ccc(N2CCC(O)CC2)cc1	877461741	JPXUIPQNKUPGQC-UHFFFAOYSA-N	304.478	3.420	10	20	DGCD	
CC[C@H](NCCCn1ccnc1C)c1ccc(N(C)C)cc1	765140854	HDVJXBKCTHRBPS-SFHVURJKSA-N	300.450	3.389	10	20	DGCD	
C[C@@H]1N(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOC1(C)C	773626313	SPVPQPWEBKNPFY-KGLIPLIRSA-N	319.449	3.023	10	20	DGCD	
COc1ccc(O)c(CNCc2ccccc2OCC(F)F)c1	885986072	XQMMQYTXPRAHQF-UHFFFAOYSA-N	323.339	3.335	10	20	DGCD	
CC[C@@]1(C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1	785492369	AXDNWNLKCZRTSS-INIZCTEOSA-N	311.809	3.249	10	20	DGCD	
COc1ccc(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c(O)c1OC	897612205	QWOUNIFQVLWZOM-JUIVLLAYSA-N	315.413	3.053	10	20	DGCD	
Cn1cnc(-c2cccc(NCc3c(O)cccc3Cl)c2)n1	783645840	RKOPUGVIVKCRCL-UHFFFAOYSA-N	314.776	3.453	10	20	DGCD	
COc1ccc(CN[C@H]2CCc3ccc(F)cc32)c(O)c1OC	892921476	UAVMPNSUXWJGMC-HNNXBMFYSA-N	317.360	3.326	10	20	DGCD	
CN(C(=O)c1c[nH]nc1-c1cccnc1)c1ccc(F)c(F)c1	1318358694	BDNWCWMBCHBHKG-UHFFFAOYSA-N	314.295	3.027	10	20	DGCD	
Cc1cc(C(=O)NCCCSc2nccs2)cc(C)n1	1337127749	SAWQBDCMRBAVGP-UHFFFAOYSA-N	307.444	3.067	10	20	DGCD	
O=C(O)[C@H](NCc1ccc(N2CCCCC2)cc1)C1CCC1	1331995900	PVAIPDYVMVZURW-QGZVFWFLSA-N	302.418	3.020	10	20	DGCD	
Cc1cnn(CC2CC2)c1NC(=O)N[C@H](C)c1ccccc1O	1331112010	YDJVUZLKVLGZFA-GFCCVEGCSA-N	314.389	3.190	10	20	DGCD	
COc1cc(C)cc(CNC(C)(C)c2nc(C)cs2)c1O	1353583148	CRDSNWLOWWBUCI-UHFFFAOYSA-N	306.431	3.499	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)Cc2cc(C(=O)O)c(C)o2)c1	1600163378	KLNWULWNODWRFP-UHFFFAOYSA-N	303.358	3.241	10	20	DGCD	
Cc1c([C@@H](C)NCc2cc(Br)ccc2O)cnn1C	227437300	TZCYYDBASXXUGK-SECBINFHSA-N	324.222	3.047	10	20	DGCD	
CC[C@@H](NCc1cccc(OCC(=O)O)c1)c1ccccc1O	1595304852	JKDRBIDXTZOASP-MRXNPFEDSA-N	315.369	3.097	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1	167964215	IJGWCNSHWGIFQJ-UHFFFAOYSA-N	317.288	3.212	10	20	DGCD	
CO[C@@H]1CCCN(Cc2cccc(Br)c2O)CC1	692063173	MAMWMFCTFCXUIN-GFCCVEGCSA-N	314.223	3.156	10	20	DGCD	
Cc1ccc(NC(=S)NNc2ccc(C(=O)O)cc2)cc1F	7350359	QTAATMDVKUNZBN-UHFFFAOYSA-N	319.361	3.146	10	20	DGCD	
COc1cccc(CNC(=O)Cc2c[nH]c3cc(C)ccc23)c1O	105650588	KOLQJYZRWZZAAG-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCCCOC(C)C)cc1	57501639	HQWQLSILRYPXMS-UHFFFAOYSA-N	321.465	3.147	10	20	DGCD	
CCc1ccc(C(=O)N(C)Cc2ccccc2O)cc1[N+](=O)[O-]	175311519	ACSHTOYQSHVAPP-UHFFFAOYSA-N	314.341	3.135	10	20	DGCD	
CCOc1cccc(CN(C)Cc2ccccc2OC)c1O	179588898	YEIMFCIHJLCVAC-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
C[C@@H](NCCCOCC1CCOCC1)c1cc(F)ccc1O	185520668	NHICEUFDHFMQHT-CYBMUJFWSA-N	311.397	3.015	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@@]3(C2)OCc2ccccc23)c1	186439037	SXEIFDIATZDVOM-IBGZPJMESA-N	311.381	3.032	10	20	DGCD	
C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc2ccccc2c1O	185790995	QDIJVLHHCNANGT-STQMWFEESA-N	321.442	3.019	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2COC3(CCCCC3)O2)c1	186230552	XEXBUMUVUQKTHV-HIFRSBDPSA-N	321.417	3.127	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2nccn2C)c1	78488632	LXHVQFRHDXLLCA-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
O=C(c1cccc(O)c1O)N(Cc1ccc(F)cc1F)C1CC1	188150146	MKHHEEBAGWKOQJ-UHFFFAOYSA-N	319.307	3.181	10	20	DGCD	
C[C@@H](NCc1ccc(OCCN(C)C)cc1)c1ccccc1O	183428135	XJEJRAHCZRJRKO-OAHLLOKOSA-N	314.429	3.183	10	20	DGCD	
C[C@@H](NCc1cccc2c1OCO2)c1ccc(F)c(F)c1O	191213249	WIFFEVQBARFODK-SECBINFHSA-N	307.296	3.250	10	20	DGCD	
COc1cccc(CNC[C@@]2(N(C)C)CCC[C@H](C)C2)c1O	237210366	SAKNMWJWPDWXBE-KBXCAEBGSA-N	306.450	3.001	10	20	DGCD	
Cc1cscc1CNCc1ccc(N2CCOCC2)cc1	94878258	BSJKMBJCFDRYOI-UHFFFAOYSA-N	302.443	3.183	10	20	DGCD	
CC(C)[C@H]1C[C@@H](CC(=O)N(C)Cc2ccccc2O)CCO1	272899493	XURUYSVINRXWQW-WMLDXEAASA-N	305.418	3.192	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	450045132	FTLUHEPAOWFSDP-HIFRSBDPSA-N	302.418	3.304	10	20	DGCD	
CN1CCCc2cc(CNCc3cnc(C(C)(C)C)nc3)ccc21	284485500	WTKDUGKBYWEGHA-UHFFFAOYSA-N	324.472	3.446	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CC[C@@H](CO)C2)c(C(F)(F)F)c1	295141751	ZVMIXDGJBKZCCD-YPMHNXCESA-N	316.367	3.022	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC(O)(c2ccccc2)C1	811510061	SJJCVAPXEWBJLS-UHFFFAOYSA-N	324.207	3.402	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@]1(O)CCc2ccccc21	816557824	CEWLNDKILIGVCQ-QGZVFWFLSA-N	321.779	3.108	10	20	DGCD	
CC[C@@H](NCc1cncn1C)c1ccc(C(F)(F)F)cc1O	810243644	SJBIXBIZJHQUGX-CYBMUJFWSA-N	313.323	3.385	10	20	DGCD	
Cc1nccnc1CCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	815651065	JCAPRSXHFWRGGE-YGRLFVJLSA-N	301.365	3.010	10	20	DGCD	
CCOc1ccc(CN2CCCN2C(=O)OC(C)(C)C)c(O)c1	811502671	DIJNKPWZBXJLNA-UHFFFAOYSA-N	322.405	3.149	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCC1CC1	812453115	HAWKKBSFHTUHDG-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)CCC(C)(C)C)C2)cc1	819584944	VCFDQRGSBYDXEH-OAHLLOKOSA-N	318.461	3.464	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cnc3n2CCC3)cc1	824541828	JPTPZXSGGRQSHA-UHFFFAOYSA-N	312.461	3.308	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)C2CCC2)cc1F	904048046	JVCNDMLJYSLLFZ-MRXNPFEDSA-N	308.397	3.015	10	20	DGCD	
CN(C)c1ccc(CN(c2ncccc2[N+](=O)[O-])C2CC2)cc1	733188356	OTJXEVLNNOTYOS-UHFFFAOYSA-N	312.373	3.225	10	20	DGCD	
COc1ccc(N2CCN(c3nc4cc(C)ccc4o3)CC2)cc1	734141789	NIDZBGUJGXHZOG-UHFFFAOYSA-N	323.396	3.471	10	20	DGCD	
COCc1cc(CNCc2cc(Cl)cc(Cl)c2O)no1	839107342	XUTNJEDCZPYDGE-UHFFFAOYSA-N	317.172	3.123	10	20	DGCD	
CC1(C)CN(C(=O)c2cc(O)cs2)C[C@](C)(C(F)(F)F)O1	832876583	DXSQSIAGBGNIHJ-GFCCVEGCSA-N	323.336	3.026	10	20	DGCD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)N(C)Cc1ccccc1O	917311236	WPUCAXDZEJJHCV-UHFFFAOYSA-N	321.380	3.363	10	20	DGCD	
CC[C@@H](C)C[C@@H](CO)NCc1cccc(Br)c1O	842755368	XYCGRGUXAPGZRF-PWSUYJOCSA-N	316.239	3.041	10	20	DGCD	
COC(C)(C)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C	743657071	ZGTRBAFZSFPLIZ-CQSZACIVSA-N	321.465	3.064	10	20	DGCD	
Cc1ccc(O)c(CN(C2CC2)[C@@H](C)C(=O)OC(C)(C)C)c1	840959179	VMZCNTAZQHGCGD-ZDUSSCGKSA-N	305.418	3.395	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccccn1	840487540	GKVALXLZVXCLFB-AWEZNQCLSA-N	312.417	3.209	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H]2[C@H](C1)C2(F)F	846601983	QYXQEQMXDYWTLZ-TXEJJXNPSA-N	322.380	3.493	10	20	DGCD	
CCCCCC(=O)NCc1ccc(N2CCSCC2)cc1	917385988	HDMAVGYDJFJVBF-UHFFFAOYSA-N	306.475	3.436	10	20	DGCD	
NC[C@H](NCc1c(O)ccc(Cl)c1F)C1CCCCC1	841039212	FPMANQYBOOZTMR-ZDUSSCGKSA-N	300.805	3.182	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCN2Cc3ccccc3C2)c1	756478206	GPJPVPMUTAXLKK-AWEZNQCLSA-N	312.413	3.067	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@]2(O)CCc3ccccc32)cc1	752127015	XJIHNSLDCHUTTQ-OAQYLSRUSA-N	324.468	3.456	10	20	DGCD	
c1cc(CNCc2ccc3c(c2)CCCO3)c2c(c1)OCCO2	921739710	CDCGPAXWTZQODL-UHFFFAOYSA-N	311.381	3.073	10	20	DGCD	
COC(C)(C)C[C@@H](C)NCc1cc(F)c(N(C)C)cc1F	858146643	JUBVOSSUOKNHGK-LLVKDONJSA-N	300.393	3.324	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@]2(C)CCOc3ccccc32)cc1	929401225	CIQBSXAJZFKBEC-HXUWFJFHSA-N	324.424	3.109	10	20	DGCD	
Cc1ccc2nc(CNCc3ccc4c(c3)CCCO4)cn2c1	921688201	SMTUTENZGPBMRU-UHFFFAOYSA-N	307.397	3.258	10	20	DGCD	
C[C@H]1CSCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	753203872	KWRSAGBFDZHDQS-ZIAGYGMSSA-N	321.490	3.208	10	20	DGCD	
C[C@@H]1C[C@@H](NCCCOC[C@@H]2CCOC2)c2c(O)ccc(F)c21	756607148	ZJDNFGTUBQUOTL-VNHYZAJKSA-N	323.408	3.112	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CC=CC2)cc1	759786903	LXGKUIPZLILNBR-UHFFFAOYSA-N	301.434	3.393	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C(F)(F)F)O1	769498221	SCWKDSQNQIFSAW-UFBFGSQYSA-N	309.715	3.197	10	20	DGCD	
CCOc1ncccc1NC(=O)N[C@H](C)c1ccccc1O	866161549	PXYOWGPZVXWDDA-LLVKDONJSA-N	301.346	3.069	10	20	DGCD	
CCC(=O)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	768366701	CLMIZMGXBIMMRZ-UHFFFAOYSA-N	318.804	3.456	10	20	DGCD	
CCOc1ccc(CN(C)[C@H]2CCN(CC)[C@@H](C)C2)c(O)c1	769470748	OTNBYTGUMINLNU-HOCLYGCPSA-N	306.450	3.096	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	876506901	QHHOEUKIHYBZOQ-JLSDUUJJSA-N	317.477	3.085	10	20	DGCD	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccccc1O	770504529	IJPPRGIEEZUEDH-DZGCQCFKSA-N	320.433	3.270	10	20	DGCD	
CCOC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	775700274	MRKLPCOOIDLRIS-LLVKDONJSA-N	301.789	3.433	10	20	DGCD	
C[C@H](NCc1ccc(C[S@@](C)=O)cc1)c1c(O)cccc1F	886609231	OYCGJHMCVTWPOW-AMXDTQDGSA-N	321.417	3.261	10	20	DGCD	
CCC(=O)N[C@H]1CC[C@H](CNCc2ccc(OC)c(C)c2)CC1	1050276805	NVSQMQYJCHHAPY-JCNLHEQBSA-N	318.461	3.178	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@H]1COc2ccccc2C1	882880609	AQIOHUOAUANYTD-NSHDSACASA-N	305.324	3.011	10	20	DGCD	
CN(C)[C@@H](CNCc1cc(F)cc(F)c1O)c1cccs1	882880012	XWDDYTJNLIOSRS-ZDUSSCGKSA-N	312.385	3.124	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ccc2c[nH]nc2c1	789990779	WCTFKYNKMDZKGM-UHFFFAOYSA-N	323.396	3.250	10	20	DGCD	
CC(C)Cn1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	890031102	QALMOSPSBMNWKW-AWEZNQCLSA-N	314.433	3.096	10	20	DGCD	
Oc1ccc(F)cc1CNCc1c(F)cc(F)c(F)c1F	797604038	FHMLBVZZCMQZEB-UHFFFAOYSA-N	303.230	3.378	10	20	DGCD	
C[C@@H](NC[C@@H]1N(C)CCCC1(C)C)c1cc([N+](=O)[O-])ccc1O	790497203	LTWBPAAHHLAYCF-WBMJQRKESA-N	321.421	3.071	10	20	DGCD	
CC[C@H](N[C@H](C(=O)N1CCCC1)C(C)C)c1ccc(C)cc1O	794810878	NDAMLLFRJKRHRR-WMZOPIPTSA-N	318.461	3.388	10	20	DGCD	
COc1cc(C)cc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c1O	1338148141	UVAMXSSNZMHIAX-UHFFFAOYSA-N	317.433	3.362	10	20	DGCD	
Cc1cc(CN2CCc3cc(C(=O)O)ccc3C2)ccc1N(C)C	1607641412	BRWJSZWHSLRRCR-UHFFFAOYSA-N	324.424	3.318	10	20	DGCD	
C[C@@H](Nc1cccc(CCCO)c1)c1cc(C(=O)O)ccc1O	1604361955	GKHIKXLEIYHAIH-GFCCVEGCSA-N	315.369	3.188	10	20	DGCD	
CSC[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1	151033173	GBHMJMCDIFIPHM-CHWSQXEVSA-N	312.454	3.064	10	20	DGCD	
OC[C@@H](Cc1ccccc1)NCc1ccc(N2CCCCC2)cc1	152726885	AQVYNBTVGFUXPG-HXUWFJFHSA-N	324.468	3.370	10	20	DGCD	
CCC(C)(C)OCCNCc1cc(Br)ccc1O	308762909	YYOFQQQZMOYOJV-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
COC1(C)CCN(Cc2ccc(Br)cc2O)CC1	701172975	IAAWHIQGQAZIDQ-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cnn(C)c2)c1	109986034	VFPGMKARBQWDIE-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
CS[C@H]1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1	117393081	RIAWEWAMTIBCQQ-WMZOPIPTSA-N	320.502	3.287	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3ccc(C)cc3[nH]2)c1	114544155	GAEAVARPXIRXRF-UHFFFAOYSA-N	310.353	3.121	10	20	DGCD	
COc1ccccc1NC[C@H](O)COc1ccccc1Cl	32208733	DRSJHELMRNDAIV-LBPRGKRZSA-N	307.777	3.200	10	20	DGCD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O	78368507	VXGCCAXHYQHVRB-DZGCQCFKSA-N	308.447	3.256	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCn2cccn2)cc1F	125272223	BZURTCUIHPXFEC-UHFFFAOYSA-N	304.413	3.000	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)c(O)c1O	186343177	ICCIIZWMFPTNHD-SNVBAGLBSA-N	313.353	3.266	10	20	DGCD	
CCOC(=O)N1CCC([C@@H](C)N[C@@H](C)c2ccccc2O)CC1	187685716	LINNNGUVMCMTSS-KGLIPLIRSA-N	320.433	3.300	10	20	DGCD	
Cc1cc(C(=O)N2CCn3nccc32)c(C)n1-c1ccc(F)cc1	367512651	FKBCONQYOSOVFN-UHFFFAOYSA-N	324.359	3.090	10	20	DGCD	
CO[C@@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	272749710	LCLXLVIEUCSOSE-HNNXBMFYSA-N	306.450	3.305	10	20	DGCD	
CCC[C@](C)(N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	272483882	RZBIORLNMYCTQL-IBGZPJMESA-N	317.477	3.057	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1O	273463338	INHXTKDGCVANLE-WVQJBOLRSA-N	307.340	3.443	10	20	DGCD	
C[C@@H](NCc1nc(C2CC2)cs1)c1cc([N+](=O)[O-])ccc1O	273520630	UGOVYPGMDUVHMY-SECBINFHSA-N	319.386	3.485	10	20	DGCD	
C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1	271640821	DSYRLFOIGJJJOC-YOEHRIQHSA-N	304.434	3.089	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)NCc2ccc3c(c2)CCO3)n[nH]1	277458752	QBZNKBCFLKRHBP-RYUDHWBXSA-N	300.406	3.104	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c1	273526981	VMCJIAPVSVZCJJ-ABAIWWIYSA-N	307.340	3.363	10	20	DGCD	
COc1cc(O)c(CNC2(C(F)F)CCCC2)cc1OC	809789919	NNCIQOVVNIRUMF-UHFFFAOYSA-N	301.333	3.077	10	20	DGCD	
COC(=O)c1cnc(SC[C@@H](O)c2ccc(C)cc2)s1	295983242	KGXHVIAWZDLIHQ-LLVKDONJSA-N	309.412	3.064	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H]2c2nc(C)no2)cc1	815117734	UIXUJYVWIMNSDV-INIZCTEOSA-N	300.406	3.171	10	20	DGCD	
COC(=O)C(C)(C)CCNCc1ccc2ccccc2c1O	816608376	XTMIMCKNJYQVIK-UHFFFAOYSA-N	301.386	3.224	10	20	DGCD	
CCN(Cc1ccoc1)C(=O)NCc1ccc(N(C)C)c(F)c1	726709390	NUDLAWNCVFETOP-UHFFFAOYSA-N	319.380	3.216	10	20	DGCD	
CN(C(=O)/C=C/c1cncc(F)c1)c1cccc2cccnc12	492597834	SKOQFBLJUGFRHQ-BQYQJAHWSA-N	307.328	3.445	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1Cl	826910439	HWFOUOGKQZVVOJ-IZDJOXEWSA-N	315.866	3.133	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2sccc2C)c1	728944324	VDQYDSXWECFALX-LLVKDONJSA-N	320.414	3.331	10	20	DGCD	
C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(Cl)cc1O	903441113	XPXHKEKNVNBESU-IGGJQXEISA-N	303.789	3.355	10	20	DGCD	
C[C@H](NC[C@@H](O)C1CCC1)c1cccc(C(F)(F)F)c1O	834906676	RTMNJWGRXZEFAJ-TVQRCGJNSA-N	303.324	3.223	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1O	834907555	WNLZAQQURBQKHG-XHNCKOQMSA-N	317.216	3.004	10	20	DGCD	
C[C@]1(NCc2cc3c(cc2O)OCO3)CCCc2ccccc21	734843789	QDOUMYRJDLRHAA-IBGZPJMESA-N	311.381	3.462	10	20	DGCD	
C[C@H]1CCC[C@@H](OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	732954387	ZGNFMOCXTHNICV-MAUKXSAKSA-N	318.461	3.306	10	20	DGCD	
CC(C)[C@H](NC(=O)Nc1ccc(N)cc1)c1nc(C2CC2)no1	841301171	DPRBJLVEMAFZCQ-ZDUSSCGKSA-N	315.377	3.048	10	20	DGCD	
CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C	840756824	CVZIQXWUVBPWJK-MRRJBJDNSA-N	324.415	3.326	10	20	DGCD	
CCO[C@H]1C[C@@H](N[C@H](C)c2cc(Br)ccc2O)C1	840764292	QGTLSLVDHYAAAD-JLLWLGSASA-N	314.223	3.373	10	20	DGCD	
CO[C@H]1CCC[C@@H](CC(=O)NCc2cc(Cl)ccc2O)C1	846474678	ZCWVYOCRSMVSRV-RISCZKNCSA-N	311.809	3.257	10	20	DGCD	
COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1	742040580	PLNUMDMLLBZQAR-UHFFFAOYSA-N	312.413	3.342	10	20	DGCD	
C[C@H]1CCN(CCNCc2ccc(N3CCCCC3)cc2)C1	744450028	JJYSAMVIESMYDF-KRWDZBQOSA-N	301.478	3.108	10	20	DGCD	
C[C@@H](CCc1n[nH]c2ccccc12)NCCc1ccc(N)cc1	841033851	CCPLJRSFMKXOLP-AWEZNQCLSA-N	308.429	3.299	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(CCN)cc2)cc1	841036653	RORVUWYRXWCMBS-UHFFFAOYSA-N	311.473	3.324	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNc1ccc2c(c1)CNCCO2	841083619	VKZCJVCYRKTFCQ-UHFFFAOYSA-N	322.767	3.279	10	20	DGCD	
Cc1ccc([C@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)o1	742496159	VWPXNEDRCKLKOL-AWEZNQCLSA-N	300.402	3.416	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)C3(Cl)CC3)CC2)cc1	924907744	SDIYIHJOADVLPK-CYBMUJFWSA-N	308.853	3.414	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc(C(F)F)cc2)cc1	841040921	CQBRJWMFUJOVFT-KRWDZBQOSA-N	319.399	3.480	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1	759933006	HQNBZSAULNOQJT-HZPDHXFCSA-N	318.461	3.415	10	20	DGCD	
O=C1OCC[C@H]1CCN(Cc1ccccc1O)C1CCCC1	753848607	RTTLMWWHWYXQPP-CQSZACIVSA-N	303.402	3.090	10	20	DGCD	
COc1ccc(N(Cc2cn(C(C)(C)C)nn2)CC2CC2)cc1	852136471	YDTJRTCAVFJJBA-UHFFFAOYSA-N	314.433	3.458	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccnn1CCC	854374175	QEHJJCIJXYPPQH-UHFFFAOYSA-N	315.417	3.441	10	20	DGCD	
CC1(C)CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1	850565690	HILWOFPIPCPRGT-SFHVURJKSA-N	302.462	3.316	10	20	DGCD	
C[C@@H](NC(=O)Cc1cccnc1Cl)c1ccc(N(C)C)cc1	867502762	CPDZDOJBULWTND-GFCCVEGCSA-N	317.820	3.221	10	20	DGCD	
CCC(CC)n1nc(C)cc1C(=O)NCc1cc(C)ccc1O	862757145	IZDXYETZFIUJAK-UHFFFAOYSA-N	315.417	3.497	10	20	DGCD	
Oc1c(Br)cccc1CNc1ncnc2[nH]ccc12	764934044	HYXJENIFJYSMJS-UHFFFAOYSA-N	319.162	3.038	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccc3nc(O)[nH]c3c2)cc1F	863989784	ZDFZPTWUIDPZNI-UHFFFAOYSA-N	318.327	3.225	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccsc12	762800828	VTCOWEXMDIYVBL-SECBINFHSA-N	301.371	3.146	10	20	DGCD	
CNC(=O)c1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1	864035944	RCXAIGVXFNKUKH-UHFFFAOYSA-N	319.355	3.003	10	20	DGCD	
COc1cc(-c2nc3ccc(SC)cc3[nH]2)cc(O)c1O	766294234	QRLSJHFVLJDCOC-UHFFFAOYSA-N	302.355	3.372	10	20	DGCD	
COc1cc(CN(C)CCN(C)c2ccccc2)c(O)cc1C	768449208	FJPDAYLPEPBGGU-UHFFFAOYSA-N	314.429	3.277	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cn(C)nc1C(F)F	770645049	GGEVIBPIJVRKAN-UHFFFAOYSA-N	307.344	3.319	10	20	DGCD	
CCCc1nc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)s1	777398550	HQQHAPDDSWBWMY-SOFGYWHQSA-N	318.398	3.467	10	20	DGCD	
CN(Cc1cn(C)nn1)c1ccc(OCc2ccccc2)cc1	781960984	PFTNJZUTNWOZDT-UHFFFAOYSA-N	308.385	3.031	10	20	DGCD	
Cc1ccccc1C[C@H](CO)NCc1c(O)cccc1Cl	786156367	DLCVHVIOQQUWMZ-CQSZACIVSA-N	305.805	3.047	10	20	DGCD	
CC(C)N(CC1CC1)C(=O)NCc1ccc(N2CC=CC2)cc1	893136477	VYAMLVAOLPYJFV-UHFFFAOYSA-N	313.445	3.393	10	20	DGCD	
CC(C)OC(=O)C1CCN(Cc2cccc(Cl)c2O)CC1	895828048	HOAQXRCSARIKTI-UHFFFAOYSA-N	311.809	3.209	10	20	DGCD	
COc1ccc(CN[C@@H]2Cc3ccc(Cl)cc3C2)c(O)c1	793391384	XASZQZPYPRGTFH-OAHLLOKOSA-N	303.789	3.311	10	20	DGCD	
CCC1(NCc2c(O)cccc2Br)CCOCC1	706858373	VGCMZCKFVIVGET-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccco1	783531412	FNLQRFBICNKPIY-UHFFFAOYSA-N	308.142	3.093	10	20	DGCD	
C[C@H](N[C@H](C)CC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O	1325357010	NGSWMWPVZHEFOO-ZJUUUORDSA-N	315.360	3.441	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC[C@H]1COc1ccccc1	1347775618	MGZRFCVULXNUEJ-LBPRGKRZSA-N	303.383	3.137	10	20	DGCD	
CC[C@@](NCc1ccc(OC)c(C)c1)(C(=O)O)c1ccccc1	1595299659	BDHYGVDJICBDJJ-IBGZPJMESA-N	313.397	3.483	10	20	DGCD	
CCN1CCCc2cc(CNC[C@@H](CC(C)C)C(=O)O)ccc21	1776875992	HWDUOPHNGVZTSA-QGZVFWFLSA-N	318.461	3.296	10	20	DGCD	
CCCCN(CC)C(=O)NCCCSc1nccs1	154671044	URACGBHZMYLERN-UHFFFAOYSA-N	301.481	3.457	10	20	DGCD	
CCN1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O	20563259	KLLFQUNMXCWJGK-GFCCVEGCSA-N	303.233	3.273	10	20	DGCD	
COc1cc(Cl)cc(CNC(C)(C)COC(C)C)c1O	396353771	GNTBQFLMKBVSKD-UHFFFAOYSA-N	301.814	3.347	10	20	DGCD	
Cc1cccc2[nH]cc(CC(=O)N(C)Cc3ccccc3O)c12	103520583	KHHXJRSKAOGZTJ-UHFFFAOYSA-N	308.381	3.383	10	20	DGCD	
CCCOc1cccc(C(=O)NCc2cc(OC)ccc2O)c1	114543064	KYTIFRJGSMGJJW-UHFFFAOYSA-N	315.369	3.120	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1c(F)cccc1F	28334149	PNZMUWFEQXGJPI-UHFFFAOYSA-N	316.351	3.495	10	20	DGCD	
CCOC[C@H]1CCN(Cc2c(O)ccc3ccc(OC)cc23)C1	177628751	GSOAGVPKABOADR-AWEZNQCLSA-N	315.413	3.412	10	20	DGCD	
CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	179934641	NXXHGTHJOFBLGB-CQSZACIVSA-N	324.396	3.020	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2[nH]ccc2c1	115279484	YRZOQWFNLAKQCX-UHFFFAOYSA-N	307.397	3.472	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C)CCCC2)c1	66599644	AVTDILKBCNFRIK-GFCCVEGCSA-N	306.406	3.341	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCN2CCc3sccc3C2)c1	185104742	GFNKZELDRVMMAG-AWEZNQCLSA-N	316.470	3.471	10	20	DGCD	
C[C@@H](NC[C@@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1	189311840	AAANIIBVOSMLOT-MDZRGWNJSA-N	302.462	3.489	10	20	DGCD	
CC(C)NC(=O)CCN[C@H](C)c1ccc2ccccc2c1O	181270258	JVRAPNDEZGDPPJ-CYBMUJFWSA-N	300.402	3.111	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCOCC1	194283207	ITOADKXVFCWRCM-UHFFFAOYSA-N	304.415	3.064	10	20	DGCD	
COCCOc1cccc(NCc2cc(OC)ccc2O)c1	237198949	VOWZFKNVGZXALN-UHFFFAOYSA-N	303.358	3.038	10	20	DGCD	
COc1ccnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1	264413752	JUQGLGODYHNVQW-UHFFFAOYSA-N	311.429	3.321	10	20	DGCD	
Cc1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)o1	266183904	VPNGHGAMNDLCFD-UHFFFAOYSA-N	315.417	3.408	10	20	DGCD	
CC[C@H](N[C@H]1CCN2CCC[C@H]2C1)c1ccc(N(C)C)cc1	363792858	OROXUJWLBWYLLU-WDSOQIARSA-N	301.478	3.420	10	20	DGCD	
CCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1O	278216921	LCGBYBRZRORKKR-UHFFFAOYSA-N	322.386	3.393	10	20	DGCD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	282529374	LQVUPFSGAYFWQC-PMUMKWKESA-N	316.445	3.057	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC3(CCOCC3)CC2)c1	285181965	QDSTZSRRLPOLOO-UHFFFAOYSA-N	305.418	3.184	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NOCC1CC1	297343294	NKUHHWULCQTAGA-UHFFFAOYSA-N	305.422	3.014	10	20	DGCD	
C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1cc(Cl)ccc1O	290399531	SUDFHXRVUYSZDA-NCAQKEMTSA-N	319.788	3.191	10	20	DGCD	
OC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCC1(F)F	291317089	SGADJDFJIVMZTN-MRXNPFEDSA-N	324.415	3.126	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1	296388294	JXTOQIHZZXVQAZ-OWCLPIDISA-N	324.424	3.043	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3occc3C)C2)cc1	818222964	ZFWUBHOJXHGARP-HNNXBMFYSA-N	300.402	3.213	10	20	DGCD	
C[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1	817926769	VEZNSXJELYRHKD-LLVKDONJSA-N	315.442	3.092	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3CC[C@@H]3C3CC3)C2)cc1	818341826	HINNPCYXYFTJHB-NIKGAXFTSA-N	300.446	3.300	10	20	DGCD	
Cc1cc(C(=O)NC(C)(C)CCN)c(C)n1-c1ccc(F)cc1	818020985	NBYQBFHTMBOKIW-UHFFFAOYSA-N	317.408	3.090	10	20	DGCD	
O=C(NCc1ccc(F)c(Cl)c1)NCc1ccccc1O	726277714	DNNRBDBPVZXBLL-UHFFFAOYSA-N	308.740	3.184	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CCOC3(CCC3)C2)c1	824751455	XJJXLWXLPCDEOP-ZIAGYGMSSA-N	305.418	3.401	10	20	DGCD	
CCOc1ccc(CNc2cccc([S@@](C)=O)c2)c(O)c1	824620644	XNUNFQGFBFCFPI-OAQYLSRUSA-N	305.399	3.140	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1CCc2cc(F)ccc21	726240175	UEMNTAYTRZBYMT-HNNXBMFYSA-N	300.333	3.018	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCc2cc(F)ccc21	588408148	VLCVBQREUCCNPK-SDHLOXDLSA-N	313.328	3.054	10	20	DGCD	
CC1(CN2CCCc3cc(OC(F)(F)F)ccc32)COC1	735920615	TWQWHEHVEIVLFO-UHFFFAOYSA-N	301.308	3.374	10	20	DGCD	
C[C@H]1c2ccccc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1	588406420	RMEUDRBCPKCYCK-JWJUJFCLSA-N	309.365	3.257	10	20	DGCD	
C[C@H](NCc1cn(C)cn1)c1cc(Cl)c(Cl)cc1O	903352958	XLIJARRVXWFIHY-QMMMGPOBSA-N	300.189	3.283	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CCCF	830149602	HKTMFGCVKZBMOQ-UHFFFAOYSA-N	318.186	3.253	10	20	DGCD	
C[C@]1(CNC(=O)Cc2ccc(N)cc2)CCCc2ccccc21	831509786	HNBRXJVMMJAHOR-HXUWFJFHSA-N	308.425	3.222	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)OCC(C)C	839918588	MWTADRYJEJJGQK-HOTGVXAUSA-N	320.477	3.169	10	20	DGCD	
C/C(=C\C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1	839917828	ICGHWDMQKCCGML-ATGUSINASA-N	300.446	3.465	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ncc(C(C)(C)C)o1	746497819	RSZJRKANMOLAIP-UHFFFAOYSA-N	315.417	3.437	10	20	DGCD	
CC(C)N(Cc1cccs1)C(=O)NCCc1ccc(N)cc1	841957108	OFLHHOJKCBQUHF-UHFFFAOYSA-N	317.458	3.493	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)n1C	742476106	KBOMFXZVOLVUOD-UHFFFAOYSA-N	311.429	3.254	10	20	DGCD	
CO[C@H]1C[C@H](N(C)Cc2c(O)ccc3ccncc23)C12CCC2	840138064	CKOSAQLZHKUSFY-ROUUACIJSA-N	312.413	3.330	10	20	DGCD	
CCOCc1cc(CNC[C@@H]2C[C@H](C)O[C@@H]2C)ccc1OC	840962483	DKKBTNRMXMUINI-LZWOXQAQSA-N	307.434	3.135	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCCC[C@@H]2CCC(=O)O)cc1	841813043	SLVUYVPNWNZEIH-WBVHZDCISA-N	304.434	3.266	10	20	DGCD	
CCc1cccc(CNc2ccc(NC(=O)COC)cc2)c1O	848892008	ICVJADWZPKWZAG-UHFFFAOYSA-N	314.385	3.152	10	20	DGCD	
CCOc1ccc(CN2C[C@@H](C)NCc3ccccc32)c(O)c1	841088893	FIGLXDATJOIWQH-CQSZACIVSA-N	312.413	3.289	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)cc1O	756585314	JNPLAAWIJWQUGM-BMIGLBTASA-N	301.365	3.358	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2ccc(C)o2)cc1	753948723	DBFUGOXAAWLSNM-UHFFFAOYSA-N	300.402	3.293	10	20	DGCD	
CN(C)c1cc(F)c(CNC2CCN(C3CCC3)CC2)cc1F	858118020	KMNPWFJLIZIKRO-UHFFFAOYSA-N	323.431	3.137	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cnn(C(C)(C)C)c2)c1	756857388	WKSKBMZQCLLCPM-NSHDSACASA-N	317.389	3.303	10	20	DGCD	
C[C@@H](NCCCN1CCCC[C@H]1C)c1cc([N+](=O)[O-])ccc1O	756363669	QCZQDTLRLTUVAM-ZIAGYGMSSA-N	321.421	3.216	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1cnn(CC(F)(F)F)c1	763514486	KKXORMVVECLHHO-UHFFFAOYSA-N	319.714	3.094	10	20	DGCD	
C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@H](C2CC2)O1	862352110	ZFGVUZYHTNJTKQ-GTNSWQLSSA-N	310.388	3.030	10	20	DGCD	
Cc1ccc(CNc2cccc(CN3CCCC3=O)c2)c(O)c1	876822713	IGKZETXAGYEASS-UHFFFAOYSA-N	310.397	3.435	10	20	DGCD	
COc1ccc(CN[C@H](C)[C@H](OC)c2ccccc2)c(O)c1	877493829	PDDBSXZVMRTFKC-ACJLOTCBSA-N	301.386	3.267	10	20	DGCD	
CCCN(Cc1ccc(N2CCC(O)CC2)cc1)CC1CC1	876510149	KLNLJZHAQQIDOS-UHFFFAOYSA-N	302.462	3.270	10	20	DGCD	
Cc1ccc(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c(O)c1	877493247	BGHSUXBPGLNEEN-QGZVFWFLSA-N	324.424	3.186	10	20	DGCD	
C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(N(C)C)cc1	773001263	SAUUHDZSAAOQKH-LBPRGKRZSA-N	308.385	3.120	10	20	DGCD	
CCOC(=O)[C@H](CC)N(Cc1ccc(N(C)C)cc1)C1CC1	787441749	ZVRPTESEBLIBII-KRWDZBQOSA-N	304.434	3.059	10	20	DGCD	
COC1CCN(c2ccc(CN3CC[C@H](CF)C3)cc2)CC1	880299126	CZKOHJRADJDECD-MRXNPFEDSA-N	306.425	3.093	10	20	DGCD	
FC(F)c1cc(NCc2ccc(N3CC=CC3)cc2)ncn1	892644630	GXQONYUFKBMMKL-UHFFFAOYSA-N	302.328	3.403	10	20	DGCD	
Cc1noc(C[C@H]2CCCN(Cc3c(O)cccc3Cl)C2)n1	897579012	MEAQDICTCWQZPZ-GFCCVEGCSA-N	321.808	3.192	10	20	DGCD	
COc1ccc(CNc2ccc3c(c2)CCCO3)c(O)c1OC	893374283	NPGHUYXKIRESJV-UHFFFAOYSA-N	315.369	3.347	10	20	DGCD	
CC(C)c1noc(CCN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)n1	1320253437	WAJYLXOYYAKOMV-ZYHUDNBSSA-N	319.380	3.418	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](N)C2CCCCC2)cc1	1326371973	UQJYTLHIEJJDNP-GOSISDBHSA-N	317.477	3.057	10	20	DGCD	
Oc1cccc(Br)c1CNc1cnn(CC2CC2)c1	1328922679	OQPCJLBKSKWMRF-UHFFFAOYSA-N	322.206	3.373	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(C)Cc1cc(C(=O)O)c(C)o1	1339117670	IWZSNBJDMOQRLS-UHFFFAOYSA-N	316.401	3.293	10	20	DGCD	
CC(=O)C1(NC(=O)c2sccc2-n2c(C)ccc2C)CC1	1332187517	PFJABLMZLQBTLL-UHFFFAOYSA-N	302.399	3.007	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccc(N(C)C)nc1	1342388622	AVLONFOVPBQYDZ-DZGCQCFKSA-N	311.429	3.500	10	20	DGCD	
C[C@H]1CN(c2nnc(-c3sccc3O)n2CC2CC2)C[C@@H]1C	1520580900	MWTAERFUSHVVKA-QWRGUYRKSA-N	318.446	3.214	10	20	DGCD	
O=C(O)[C@H](NCc1cc(Cl)ccc1O)c1ccccc1F	1608548387	MJUNYYFQXYROFW-CQSZACIVSA-N	309.724	3.100	10	20	DGCD	
CS[C@@H]1CCC[C@H](N[C@@H](C)c2cc(C(=O)O)ccc2O)C1	1607391352	JZJDYAGZVOEHSL-WCFLWFBJSA-N	309.431	3.415	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(/C=C\C(=O)O)o2)cc1F	1599583784	AVKNAOZVCMRKPF-VURMDHGXSA-N	305.305	3.162	10	20	DGCD	
CCC(C)(C)NC(=O)NCc1ccc(N2CCSCC2)cc1	163716092	FGWCOKZGPGOODX-UHFFFAOYSA-N	321.490	3.228	10	20	DGCD	
CC[C@@H](NC1CCN(CC(F)(F)F)CC1)c1ccccc1O	155544046	DBEKLPZKDJECBU-CQSZACIVSA-N	316.367	3.460	10	20	DGCD	
CCc1cccc(CNCC2(NC(=O)OC(C)(C)C)CC2)c1O	897421172	VBGJVEZAGCJHMI-UHFFFAOYSA-N	320.433	3.102	10	20	DGCD	
CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccccc1O	111393501	NMMKIFZAPMXREH-HNNXBMFYSA-N	322.449	3.421	10	20	DGCD	
CCC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCC1	177298316	JDPZPTMHJDJTKI-UHFFFAOYSA-N	313.445	3.442	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@](C)(O)c2ccco2)cc1F	174529858	CSLYZFKEKAOZAW-SFHVURJKSA-N	320.408	3.262	10	20	DGCD	
CCc1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1	114565442	CDWDPKJDKXLACQ-UHFFFAOYSA-N	300.358	3.285	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1	65507369	LTDJXKRQGQMDIB-HOTGVXAUSA-N	314.360	3.229	10	20	DGCD	
COc1ccc(CNCc2ccc(N(C)C)cc2C)c(O)c1	115629261	IBMOOLUZFMMQPA-UHFFFAOYSA-N	300.402	3.065	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)Cc2cc(OC)ccc2O)C12CCC2	180749136	FXAXBWWGAZKLHM-IRXDYDNUSA-N	305.418	3.180	10	20	DGCD	
C[C@H](N[C@H]1CCCC[C@@H]1O)c1cc(Br)ccc1O	185444766	YYJBEATWRPKHHR-WFBYXXMGSA-N	314.223	3.109	10	20	DGCD	
CCOc1ccccc1NC[C@H](O)COc1ccccc1C	314536489	IEYANOMLYYKLKV-HNNXBMFYSA-N	301.386	3.246	10	20	DGCD	
CS[C@@H]1CCCCN(Cc2cc(F)cc(C(C)=O)c2O)C1	134564070	NYVHCYBSJJHUCQ-CQSZACIVSA-N	311.422	3.451	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc(F)cc1O)c1ccc2[nH]c(=O)[nH]c2c1	320570287	QCPPYHQSWBHYGE-UWVGGRQHSA-N	315.348	3.113	10	20	DGCD	
C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2O)C1	193100894	QRRKOBZETMEZLI-XHDPSFHLSA-N	315.344	3.460	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1	238079211	XPGUKAYQIFUUNW-CTNGQTDRSA-N	320.436	3.222	10	20	DGCD	
CCN(CC)c1ccc(CN(CCCCO)C2CC2)cc1F	93383128	LIWWRFSKUMZXDA-UHFFFAOYSA-N	308.441	3.409	10	20	DGCD	
CCNC(=O)c1ccc(C)c(NCc2cc(OC)ccc2O)c1	236954752	FQXLPUXHPWWZHR-UHFFFAOYSA-N	314.385	3.071	10	20	DGCD	
C[C@@H]1CN(C(C)(C)CN[C@H](C)c2cc(F)ccc2O)C[C@@H](C)O1	248487062	FWZQUXSFTPKREJ-MGPQQGTHSA-N	324.440	3.070	10	20	DGCD	
CCc1ncc(NC(=O)NCc2c(C)c3ccccc3n2C)cn1	346871641	MRXULPORUZDAFZ-UHFFFAOYSA-N	323.400	3.161	10	20	DGCD	
CCOc1ccc(O)c(CNCc2csc([C@H](C)OC)n2)c1	267672952	ZQKKMDOBGAXQAA-NSHDSACASA-N	322.430	3.245	10	20	DGCD	
CCC(CC)C(=O)NCc1cccc(Br)c1O	277550835	OGUFSGSDBFWYHV-UHFFFAOYSA-N	300.196	3.207	10	20	DGCD	
C[C@@H]1CN(C)CC[C@H]1N(C)Cc1ccc(N2CCCCC2)cc1	275215591	BTQBJKINLQTVMY-YLJYHZDGSA-N	315.505	3.449	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1	368211262	CUSGEGWBHBEPNB-LKFCYVNXSA-N	321.323	3.463	10	20	DGCD	
CC(C)CCCNCc1ccc(N2CCC(O)CC2)c(F)c1	275873861	ZFJMSDURMBRQFQ-UHFFFAOYSA-N	308.441	3.313	10	20	DGCD	
Cc1cc([C@@](C)(O)CNCc2cccc(Cl)c2O)c(C)o1	271871311	XTDPQQIUSRKMOY-INIZCTEOSA-N	309.793	3.253	10	20	DGCD	
CC(=O)c1cc(F)cc(CNC(C)(C)c2c(C)noc2C)c1O	285480427	BLXKJAUDNHNHPL-UHFFFAOYSA-N	320.364	3.364	10	20	DGCD	
CCCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(C)c1O	809724870	CKMYXOAWRXWWLH-INIZCTEOSA-N	320.433	3.191	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCO[C@@H]3C[C@H]32)c1C	816896912	UUHYVYKPWJROFB-QZTJIDSGSA-N	310.397	3.016	10	20	DGCD	
COc1cccc(C[C@H](NCCc2ccc(N)cc2)C2CC2)c1	817956184	STRGHLJEJRLDRC-FQEVSTJZSA-N	310.441	3.431	10	20	DGCD	
Oc1c(CN2CCCC[C@H]2C2OCCO2)ccc2ccccc12	816501226	BBNMLBQZODVXPQ-KRWDZBQOSA-N	313.397	3.273	10	20	DGCD	
Cc1ccoc1CNC(=O)c1cc(C)n(-c2ccccn2)c1C	814144711	XGEUMVPSRXWUCE-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)c(F)cc1O)N1CCCCC1	816536737	IKANQNSZTCIBPJ-NSHDSACASA-N	300.805	3.149	10	20	DGCD	
COc1cc(CN(C)C[C@H]2CCC[C@@H]2O)c(O)c(C(C)(C)C)c1	824920211	HYDMPWAVUUGECR-DYVFJYSZSA-N	321.461	3.291	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)OCCCCO)c2C)c1	733390152	PGQWKQATKXTFKD-UHFFFAOYSA-N	301.386	3.332	10	20	DGCD	
O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(O)cs1	732276934	WYWGROKRXWWGLC-ZFWWWQNUSA-N	321.373	3.243	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)COC1CCCCC1	734404529	JEJYQCGWORSQQY-UHFFFAOYSA-N	304.434	3.027	10	20	DGCD	
CC(C)c1n[nH]c(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)n1	834871148	MBBOYADVMIVEOT-KOLCDFICSA-N	304.369	3.111	10	20	DGCD	
Cc1ocnc1C(=O)N(Cc1ccco1)Cc1ccccc1O	743430995	OJWQSPREEPGISM-UHFFFAOYSA-N	312.325	3.124	10	20	DGCD	
COc1ccc(NC(=O)NCc2ccccc2O)c2cccnc12	748459315	FUFSUGMFTODFOX-UHFFFAOYSA-N	323.352	3.271	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1C(F)(F)F)CC(C)(C)CN	843055929	ANZRPWNAVLIJFQ-UHFFFAOYSA-N	317.399	3.188	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)NCCC=C(C)C)cc1	845146310	FEIKFNNGCQBPKE-UHFFFAOYSA-N	319.449	3.129	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@@H]1NCCc2ccccc21	841067313	ASPKLALQUFOQGF-INIZCTEOSA-N	302.805	3.022	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1nccnc1C	840895166	WAHXZJCXNCKPCW-HOCLYGCPSA-N	312.461	3.441	10	20	DGCD	
C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(C(F)(F)F)c1O	846190497	QNMJKFAVMQBFBY-RQSQLSILSA-N	301.308	3.382	10	20	DGCD	
CNC(=O)c1ccc(CN[C@@H](C)c2cc(Cl)ccc2O)cc1	756395261	IKNVOTPYGWITBM-NSHDSACASA-N	318.804	3.256	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(F)ccc1O	756638643	VKEOMNGQKBFDFL-XJKSGUPXSA-N	303.377	3.440	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1C=CCC1	852505906	KSMUPYVNYOLZJS-SNVBAGLBSA-N	301.173	3.217	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCc2cccc(F)c2)c1	756360355	RXVGHSGHOJDTDU-GFCCVEGCSA-N	317.360	3.211	10	20	DGCD	
COc1cc(CNCC[C@@H](C)CCO)c(O)c(C(C)(C)C)c1	850312294	HLJBJNKORJFNAJ-CYBMUJFWSA-N	309.450	3.197	10	20	DGCD	
COc1cc(CN[C@]2(C)CCO[C@@H]2C)c(O)c(C(C)(C)C)c1	850244751	CJMWRWDEUMCQRW-KZULUSFZSA-N	307.434	3.355	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)[C@H](C)C1	763477297	FSEFLHOTVZKHBC-ZBFHGGJFSA-N	316.445	3.106	10	20	DGCD	
CCCCC[C@@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O	761573609	DBKLYLMLQGGSKI-BBRMVZONSA-N	317.433	3.314	10	20	DGCD	
COC1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CCC1	863165678	KNSFVDDSPUYSNG-UHFFFAOYSA-N	312.413	3.279	10	20	DGCD	
CCN(CC)c1ccc(/C=C\c2cc(C(=O)O)ncn2)cc1F	761205695	PTYAPLWWUTUHPK-ALCCZGGFSA-N	315.348	3.331	10	20	DGCD	
CCCc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1	867301802	FEMYLIUSLZXTIY-NSHDSACASA-N	319.426	3.473	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2c2cn(C)nc2C)c(O)cc1C	768462957	DEFVPYFZCKZRPP-MRXNPFEDSA-N	315.417	3.088	10	20	DGCD	
C[C@@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccccc1O	879649165	KBBIKOKXJJCUHR-HZPDHXFCSA-N	324.424	3.205	10	20	DGCD	
C[C@@H](N[C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1O	879649309	NADNOHKUZIYUHJ-UKRRQHHQSA-N	304.434	3.080	10	20	DGCD	
C[C@@H](NC[C@H](CO)Cc1ccccc1)c1c(O)cccc1F	886511326	QKPLTMOLYRFULZ-UKRRQHHQSA-N	303.377	3.033	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1nccs1	770105043	OTYLZBNCRAWRPN-UHFFFAOYSA-N	315.442	3.406	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1	773757966	SPOUCSZEJCBGNZ-HUUCEWRRSA-N	316.367	3.030	10	20	DGCD	
Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cc(F)cc(F)c1O	894781295	FWIGUNZCQVZKLU-AWEZNQCLSA-N	307.344	3.347	10	20	DGCD	
CCOc1ccc(CN2CCOc3cc(F)ccc32)c(O)c1	789564500	DKOOQADYXQKXOU-UHFFFAOYSA-N	303.333	3.329	10	20	DGCD	
COc1ccc(CN[C@@H](CC(F)(F)F)C(C)C)c(O)c1OC	893889963	GUQSGIHEHFFHCA-NSHDSACASA-N	321.339	3.476	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](C)[C@H](O)c2ccc(C)cc2)c1	796492873	YUJSNUQILYSAJE-KUHUBIRLSA-N	315.413	3.311	10	20	DGCD	
O=C(Nc1nc2ccccc2s1)c1c(F)ccc(O)c1O	790070187	JQTHRCVTLLJIIF-UHFFFAOYSA-N	304.302	3.099	10	20	DGCD	
COc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1	396180904	GOCDRVGIPIWKBO-HDICACEKSA-N	308.425	3.263	10	20	DGCD	
c1cc([C@@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)n[nH]1	1253989331	HSKHNYVIIJUJMP-QGZVFWFLSA-N	310.445	3.390	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1	1338797742	GOSGWYOKMAOOSO-QGZVFWFLSA-N	313.376	3.455	10	20	DGCD	
Nc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CC2)cc1	1335730683	OEAAHNHRNHRZNH-UHFFFAOYSA-N	313.376	3.282	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)cc(Cl)c1O)N(C)C1CC1	105488021	KNJSSMAYQQYBKK-VIFPVBQESA-N	303.233	3.271	10	20	DGCD	
COc1ccc(CN[C@@H]2c3ccccc3O[C@H]2C)c(O)c1OC	1355321790	SOTKNTCHENWCIH-ZBEGNZNMSA-N	315.369	3.021	10	20	DGCD	
COc1ccc(CN[C@@H]2CCC[C@@H](CCCC(=O)O)C2)c(O)c1	1610335779	LMPLJTYEBMCRDS-DZGCQCFKSA-N	321.417	3.304	10	20	DGCD	
Cc1cc(C(=O)O)ccc1NC(=O)N(C)Cc1ccccc1O	1610441396	OVVVPSLVUURJON-UHFFFAOYSA-N	314.341	3.063	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1ccc(F)cc1O	227689473	OZIQXJSTGMAOHJ-WDEREUQCSA-N	312.385	3.095	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C[C@H]3CC[C@@H](C)C3)CC2)cc1	164248337	OCVOKZANSQNNET-CVEARBPZSA-N	316.445	3.170	10	20	DGCD	
CC[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1	166606634	DCUIXZLUPVLNKX-UFYCRDLUSA-N	310.441	3.452	10	20	DGCD	
O=C(NCc1ccccc1O)c1snc(Cl)c1Cl	816912407	WLWRYIZMNRQOIN-UHFFFAOYSA-N	303.170	3.086	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC(OCc3ccccc3)CC2)cc1	262620658	IBMSBTPEZQJTRY-UHFFFAOYSA-N	324.424	3.019	10	20	DGCD	
C[C@@H]1SCC[C@H]1NCc1cc(Br)ccc1O	309833379	ZGELALSJBOGAGG-GZMMTYOYSA-N	302.237	3.138	10	20	DGCD	
Oc1cccc(Br)c1CNCCC[C@@H]1CCOC1	706842140	PHFVAPCLFNWNBY-LLVKDONJSA-N	314.223	3.061	10	20	DGCD	
CCC[C@]1(NCc2cc(Br)ccc2O)CCOC1	378767650	YWHJIHBHLYGZNI-AWEZNQCLSA-N	314.223	3.204	10	20	DGCD	
CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1	841299458	GWOPFFXVMDHINO-GOSISDBHSA-N	324.428	3.007	10	20	DGCD	
CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CO1	403837166	CAEWWYBDAOAVNB-GJZGRUSLSA-N	309.381	3.123	10	20	DGCD	
CCN(Cc1ccccn1)Cc1cc(F)cc(C(C)=O)c1O	126642589	ZMVLDWABMOWRNJ-UHFFFAOYSA-N	302.349	3.151	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2ncccc12	180592849	MFPJPPATALURHM-VQHVLOKHSA-N	306.321	3.298	10	20	DGCD	
CC[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(N(C)C)cc1	127400891	WYXOKQBWMSBMQO-KKSFZXQISA-N	310.507	3.341	10	20	DGCD	
COc1cccc(CN[C@@H](C)c2ccc(F)cc2O)c1OC	185076839	ZBNZLUWKEPXGTH-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
COCCOc1ccc(CN[C@@H](C)c2ccc(F)cc2O)cc1	185012226	MIDPYEBLZDDPCM-ZDUSSCGKSA-N	319.376	3.407	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccc(N2CCCC2)nc1	132702968	DVIJANBFKZNHFP-UHFFFAOYSA-N	324.472	3.346	10	20	DGCD	
C/C=C(\CC)C(=O)NCc1ccc(N2CCSCC2)cc1	190147867	PWFVMKOACHYYKP-CRKCGEKBSA-N	304.459	3.212	10	20	DGCD	
COc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C	226648882	CXXDYVIEXCTJJS-OAHLLOKOSA-N	320.433	3.103	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)c2ccccc21	276507269	YMGQAANJRBKICE-GOSISDBHSA-N	322.408	3.081	10	20	DGCD	
CCc1cnc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)s1	273624090	ZUZYXTSYMZQSAL-SECBINFHSA-N	307.375	3.170	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCc3n[nH]cc32)cc1	279990658	ARKFJIPXIIZLGT-UHFFFAOYSA-N	320.396	3.410	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCSC1	279333700	QKWSRTOYTAPVMV-CYBMUJFWSA-N	308.447	3.067	10	20	DGCD	
Cc1cccc(CN(C)CCc2ccccc2[N+](=O)[O-])c1O	289105688	CLLUKANNWOWGTG-UHFFFAOYSA-N	300.358	3.283	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCCn2c(cc3ccccc32)C1	377138373	JKJVALWVCVZCMK-UHFFFAOYSA-N	322.364	3.099	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1O	280075816	LKXARXHEJIOJJL-WBVHZDCISA-N	311.429	3.415	10	20	DGCD	
Cc1noc([C@@H]2CCCCN2Cc2cc(C)c(C)cc2O)n1	289749914	JDDNWLYZHFTINE-HNNXBMFYSA-N	301.390	3.428	10	20	DGCD	
CN(C)c1ccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)cc1	289914328	RVBDFNOSNDGBPX-PMACEKPBSA-N	310.441	3.008	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NC[C@@H](CO)Cc2ccco2)c1O	808703784	WFVHLNLOEZTETC-STQMWFEESA-N	323.820	3.449	10	20	DGCD	
CC[C@H](NC[C@@H]1COCCO1)c1cc(Cl)cc(Cl)c1O	806132380	VPHMFWBEJMKFCI-MFKMUULPSA-N	320.216	3.155	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccncc1	299237402	KQQFJAYQLZEGFF-UHFFFAOYSA-N	323.440	3.273	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](CN(C)C)c2ccc(F)cc2)c1	290144797	OGPHHDLXSMVGKA-QGZVFWFLSA-N	302.393	3.232	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCN1	817897833	CCMLFNBVIGKVIZ-HSALFYBXSA-N	313.489	3.297	10	20	DGCD	
CC(C)NCCCN[C@@H](C)c1cccc(C(F)(F)F)c1O	817953760	QPHMZUOBZOHNJS-NSHDSACASA-N	304.356	3.450	10	20	DGCD	
CCc1nnc(N(C)Cc2ccccc2O)n1Cc1ccccc1	812051011	GGPYRARDGPCYBY-UHFFFAOYSA-N	322.412	3.231	10	20	DGCD	
CC[C@@H](NCc1ccc(OC)nc1OC)c1ccc(F)cc1O	810260526	LGIFSROCSYMRIP-CQSZACIVSA-N	320.364	3.184	10	20	DGCD	
COCCN(C(=O)/C=C/c1scnc1C)c1ccccc1	493306132	UBCIWSRIFZNIIF-CMDGGOBGSA-N	302.399	3.144	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[S@](=O)C(C)(C)CC2)cc1	825025188	ZIIKSJBSXCYEJP-QFIPXVFZSA-N	322.518	3.266	10	20	DGCD	
CCN(CC)c1ccc(CN(C[C@@H](C)C(=O)O)C2CC2)cc1	901995205	YQNALHWHTSPENY-CQSZACIVSA-N	304.434	3.218	10	20	DGCD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1ccccc1O	735754724	AFGYNHCHFOLFME-GDBMZVCRSA-N	320.433	3.033	10	20	DGCD	
Cc1cc(OCC(=O)NCc2ccc(N)cc2)ccc1C(C)C	837303286	DKWDNFQNOKGAIY-UHFFFAOYSA-N	312.413	3.396	10	20	DGCD	
Fc1cc(CN[C@H]2C[C@H]3CC[C@H]2C3)cc(F)c1N1CCOCC1	839146363	FLTATIXBLZXGKC-JDFRZJQESA-N	322.399	3.080	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCCn2ccnc21	848554341	YROQALIMEGJDPL-YJBOKZPZSA-N	312.461	3.313	10	20	DGCD	
C[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1O	848558122	JUODOSFDTFWGBD-BZNIZROVSA-N	314.360	3.135	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cnc3ccccc3c2C)c1	748850935	ASWIZYUIPIWGTF-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1O	840889946	JJTOZXHINYSFQQ-RKDXNWHRSA-N	319.232	3.263	10	20	DGCD	
CC(=O)Nc1cccc(NC(=S)NNc2cccc(C)c2)c1	913139348	PZIFJXLCTVSHOC-UHFFFAOYSA-N	314.414	3.267	10	20	DGCD	
CCc1[nH]ccc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840554368	HACMXLISHMEQSU-AWEZNQCLSA-N	313.445	3.313	10	20	DGCD	
O=C(O)CC[C@@H]1CCCC[C@H]1NCc1ccc2c(c1)CCO2	841812646	OTUGPZNBOKIHML-GOEBONIOSA-N	303.402	3.135	10	20	DGCD	
COc1cc(CN(C)[C@H]2C[C@@H](OC)C23CCC3)c(O)cc1C	840143654	WERQOAUXDSAHEL-DLBZAZTESA-N	305.418	3.099	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](O)[C@H](C)c2ccccc2)c1O	850571765	AFCMEQVGFSMWCF-KEYYUXOJSA-N	315.413	3.216	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC([C@H]2CCOC2)CC1	753574058	APYKVVSGGNRARY-LBPRGKRZSA-N	313.800	3.433	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc2c(c1)CCC2	759589797	SZGJIVCVMQHYCN-TWGQIWQCSA-N	310.349	3.343	10	20	DGCD	
CCOc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1	852844953	OYGPIUJCEKKFMV-UHFFFAOYSA-N	310.397	3.008	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](C(C)C)N2CCOCC2)c(O)c1C	756366919	JUANYQXQYQYYDI-FUHWJXTLSA-N	320.477	3.016	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c2c(O)ccc(F)c21	756606023	KPZAEMYEKBGOKA-GVNHHAEMSA-N	305.393	3.483	10	20	DGCD	
CSc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1	755013952	SZRKORFJDOGZLH-UHFFFAOYSA-N	318.398	3.184	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc[nH]1	760305113	AHMDKOQKMQBDNE-CQSZACIVSA-N	312.417	3.175	10	20	DGCD	
CN(C)c1cc(F)c(CN2C[C@H](CO)c3ccccc32)cc1F	862377525	SCARDYAROWGNIF-CYBMUJFWSA-N	318.367	3.127	10	20	DGCD	
COc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F	773012180	SOSMJMIPUXYGCS-LBPRGKRZSA-N	316.376	3.391	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC(n2ccnc2)CC1	775664816	AJEWPRGCMKZCJQ-UHFFFAOYSA-N	309.772	3.218	10	20	DGCD	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1ccccc1O	770504531	IJPPRGIEEZUEDH-UKRRQHHQSA-N	320.433	3.270	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2cccnn12	777801186	WGHUXRKGTBVDMG-UHFFFAOYSA-N	309.369	3.092	10	20	DGCD	
CCOCc1ccc(CNCc2cc(F)cc(F)c2O)cc1	882887719	CWBIMQHNFQWLFN-UHFFFAOYSA-N	307.340	3.497	10	20	DGCD	
COc1cccc(CN[C@@H](C(C)C)[C@H](O)c2ccccc2)c1O	788538478	MYRRTXIDIXTQMI-PKOBYXMFSA-N	315.413	3.249	10	20	DGCD	
COc1cc(C)cc(CNC[C@]2(C)CCO[C@H]2C2CC2)c1O	894475011	HWGXIIKIFQZIRF-ROUUACIJSA-N	305.418	3.004	10	20	DGCD	
CO[C@H](C)CN[C@H](C)c1cc(Br)cc(Cl)c1O	785571867	BWQUZEAMCFGEJS-HTQZYQBOSA-N	322.630	3.494	10	20	DGCD	
COCCC1(NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCC1	793329654	QWNAEKPIDYZGOG-UHFFFAOYSA-N	314.769	3.003	10	20	DGCD	
CC(C)c1nc([C@@H](C)NCc2c(O)ccc(Cl)c2F)n[nH]1	790981873	ZIWWYAARQOXQJE-MRVPVSSYSA-N	312.776	3.277	10	20	DGCD	
CC(F)(F)C1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1	1350937554	UKKKRNVFXNRAPD-UHFFFAOYSA-N	309.356	3.323	10	20	DGCD	
O=C(O)c1cnc(Sc2ccc(F)cc2[N+](=O)[O-])s1	1602534909	NWJIJAKRWXCASY-UHFFFAOYSA-N	300.292	3.040	10	20	DGCD	
COc1cc(CNC[C@@H](C(=O)O)C(C)C)c(O)c(C(C)(C)C)c1	1594058379	SEEGFYKOSSDYMA-CQSZACIVSA-N	323.433	3.145	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCC[C@H](Cn2ccnn2)C1	154914824	SWBDFSBNGXYNSP-HNNXBMFYSA-N	322.412	3.049	10	20	DGCD	
CO[C@H](C1CC1)[C@H](C)NCc1ccc(Br)cc1O	701119997	WDMNQOLEHOSCBE-XPTSAGLGSA-N	314.223	3.058	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC(C)(C)CCO)c2C)c1	179414734	CZGGBYQHRKYKQN-UHFFFAOYSA-N	314.429	3.293	10	20	DGCD	
COCCC[C@@H](C)NC1CCN(c2ccc(OC)cc2)CC1	178463959	SCPYOAZWYOTEFH-OAHLLOKOSA-N	306.450	3.069	10	20	DGCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1ccccn1	177724177	WWGXKQQDDSXHDR-NSHDSACASA-N	322.459	3.081	10	20	DGCD	
COc1ccc(CNCc2ccc(N(C)C)cc2C)cc1O	115629504	AKSWUAPZTFUTIL-UHFFFAOYSA-N	300.402	3.065	10	20	DGCD	
CO[C@@H]1CCC[C@H]1OC(=O)c1cc(C)n(-c2ccccn2)c1C	111972640	ACVRGJHQQWVLQI-HZPDHXFCSA-N	314.385	3.213	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)c2c(F)cccc2F)c1	305785736	XTURPCWJLGMZNP-MGPLVRAMSA-N	323.339	3.063	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)CCn2cccn2)cc1	182557462	FSDMLQGPQKOQML-MRXNPFEDSA-N	300.450	3.298	10	20	DGCD	
CC[C@@H](CNCc1cc2c(cc1O)OCO2)CC(F)(F)F	402549377	DMNBHOSQXLLGEW-SECBINFHSA-N	305.296	3.189	10	20	DGCD	
C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1	128989878	AZKMHGBGBONELI-KXBFYZLASA-N	323.440	3.209	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(Cl)ncc2Cl)cc1	121786751	TZFUXPMUIOSNJG-UHFFFAOYSA-N	324.211	3.384	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)c2ccccc2C)c1O	73414858	BXEAFDCPCMLSNL-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
CSCC[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1	127239906	CDGKFELYTAUXNU-CQSZACIVSA-N	319.474	3.004	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCCCC[C@@H]2C[C@H](C)O)c1O	323673757	XHUVWLFQJKJCMI-BLLLJJGKSA-N	323.408	3.249	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H](O)Cc2ccccc21	435041336	PJXWIJBMOXABRC-KQQSKNTNSA-N	310.353	3.032	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@@H](COc3ccccc3)C2)c1	272503632	HLSBUNWDXMXIRD-OAHLLOKOSA-N	313.397	3.302	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1nc([C@H](C)OC)no1	270893384	PMIITSZRMDTARB-LBPRGKRZSA-N	317.389	3.129	10	20	DGCD	
CC[C@@H](C)N1CC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O	285751127	ASICAKZAPUFIBE-CQSZACIVSA-N	317.433	3.096	10	20	DGCD	
CC[C@@H](NC[C@@H](O)c1cccc(OC)c1)c1ccc(F)cc1O	285987334	HYVXNGKZTYYXCL-SJLPKXTDSA-N	319.376	3.314	10	20	DGCD	
COc1cccc(CNCc2ncc(C(C)(C)C)s2)c1O	289519423	VEVWBAWCDCEZQM-UHFFFAOYSA-N	306.431	3.445	10	20	DGCD	
CCCCN(Cc1cnn(CCOC)c1)Cc1ccccc1O	283066135	PXLXWZZYRIJDPB-UHFFFAOYSA-N	317.433	3.037	10	20	DGCD	
CCCOc1ccc(CN2CC[C@H](n3cc(C)cn3)C2)c(O)c1	290993741	VMEFAQHNXNHOFJ-INIZCTEOSA-N	315.417	3.133	10	20	DGCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4cc(Cl)cc(F)c4O)[C@H]1[C@H]3C2	809698247	WRJGPBGQFTXCCA-NULNDDTOSA-N	311.784	3.040	10	20	DGCD	
COc1cc(O)c(CNc2ccccc2OCCF)cc1OC	295077215	HWHHSWNLIMUTGW-UHFFFAOYSA-N	321.348	3.370	10	20	DGCD	
Cc1c(CNC(=O)N2CCC=C(F)C2)n(C)c2ccccc12	472220001	HCQPDJXCENWKEZ-UHFFFAOYSA-N	301.365	3.255	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc[nH]c2C(C)C)c1	802782327	SCUIIRJXZYPJSK-LLVKDONJSA-N	302.374	3.343	10	20	DGCD	
O=C(c1cccc(O)c1O)N1C[C@@H]2CCCCN2c2ccccc21	819021285	XZEALRBOTUCHQU-ZDUSSCGKSA-N	324.380	3.117	10	20	DGCD	
C[C@@H](NCc1ccc2ccccc2c1O)c1nnc2ccccn12	816531257	LLWGLIRMLGALGQ-CYBMUJFWSA-N	318.380	3.439	10	20	DGCD	
COc1ccc([C@H](C)NCCc2ccc(N)cc2)cc1OC	817955612	CQVZQTMKBXXXNY-ZDUSSCGKSA-N	300.402	3.179	10	20	DGCD	
Cc1cc(NC(=O)c2cc(O)cs2)ccc1C(=O)NC(C)C	826919897	DHGAIVXRPQJLQS-UHFFFAOYSA-N	318.398	3.153	10	20	DGCD	
CCN(CCSC)C(=O)NCCCSc1nccs1	826693574	WTRNYQOMAXVRHR-UHFFFAOYSA-N	319.521	3.020	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(C)s1)Cc1ccccc1O	822511583	JLABOMNAHFHQPM-UHFFFAOYSA-N	319.426	3.327	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2C(C)(C)O)c(O)c(C(C)(C)C)c1	825501261	NTYFIZWMLYQPSO-MRXNPFEDSA-N	321.461	3.434	10	20	DGCD	
Cc1ncc(CN(C)Cc2ccc(N3CCCCC3)cc2)cn1	738298301	HYOTZNPMCGCXBY-UHFFFAOYSA-N	310.445	3.407	10	20	DGCD	
C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1	735518717	JYORHUILQFLXKV-YOEHRIQHSA-N	317.429	3.336	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1	733000009	LVTMTIHLZPFTNM-IPYPFGDCSA-N	321.417	3.173	10	20	DGCD	
CC1(C)C[C@H](CNCc2cc(Cl)cc(F)c2O)CCO1	835058711	BNQICZFCXFXOFH-SNVBAGLBSA-N	301.789	3.480	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCc2nc(C(C)C)n[nH]2)c1O	834871578	MWPWDCPCKXJDOG-SNVBAGLBSA-N	308.813	3.446	10	20	DGCD	
Cc1cc(CN(C)Cc2cc(C(=O)O)c(C)o2)ccc1N(C)C	846260583	HLVVVZFWDLZTLA-UHFFFAOYSA-N	316.401	3.293	10	20	DGCD	
CCc1cccc(CNCc2cccc(OC)c2OC)c1O	848894557	NFJGQURPKLJKIR-UHFFFAOYSA-N	301.386	3.262	10	20	DGCD	
Cc1cc(N(C)C)ccc1/C=C1\SC(=S)N(C2CC2)C1=O	841497393	WPBGLSOSKXZRSL-ZROIWOOFSA-N	318.467	3.425	10	20	DGCD	
C[C@H]1CCC[C@H](OCC(=O)NCc2cc(Cl)ccc2O)C1	846477938	XVUNOYNIOKVRTL-FZMZJTMJSA-N	311.809	3.257	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccccc1Cn1cncn1	840926513	VASRHJOBYLJUBW-UHFFFAOYSA-N	321.428	3.313	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)NC(C2CC2)C2CC2)cc1	746159480	SRAASGIZLMYEKM-UHFFFAOYSA-N	316.445	3.216	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O	842885375	ONBGYXGQQOQXRO-UONOGXRCSA-N	324.852	3.486	10	20	DGCD	
C[C@H](N[C@@H]1CO[C@H](C)C1)c1cc(Br)cc(F)c1O	842928904	KYZDMPUVNATART-WEDXCCLWSA-N	318.186	3.122	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@@H]2C2CCCC2)cc1	841957062	MNBXLSLXEVUFTD-QGZVFWFLSA-N	301.434	3.176	10	20	DGCD	
CN(C)Cc1ccc(NCc2cc([N+](=O)[O-])ccc2O)c(F)c1	840957907	LXKMSYHWEMKEAZ-UHFFFAOYSA-N	319.336	3.113	10	20	DGCD	
Oc1ccccc1CN1CCNC[C@@H]1c1cccc(Cl)c1	843115135	NSPSTALLWBDMMC-MRXNPFEDSA-N	302.805	3.192	10	20	DGCD	
Nc1ccc(NC(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cc1	841296494	FLVFLLHODJTVCE-HNNXBMFYSA-N	324.428	3.307	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1	850501494	NFXQZQFZKLKQEA-JQVVKUFUSA-N	322.518	3.483	10	20	DGCD	
CCc1cnc(CNCc2cc(F)c(N(C)C)cc2F)s1	858147510	RWXGIVCQUYPJMH-UHFFFAOYSA-N	311.401	3.340	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@@H]3C[C@H]4CC[C@H]3C4)cc2)CC1	850406691	QHEWWORSOLBJLM-BZSNNMDCSA-N	314.473	3.174	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)c1	756762555	PJHJIOGDZBEECP-PBHICJAKSA-N	316.445	3.285	10	20	DGCD	
OC1CCN(c2ccc(CNc3ncccc3Cl)cc2)CC1	853955062	CFKWFAGWSPZNQI-UHFFFAOYSA-N	317.820	3.308	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN(CC2CC2)C1)c1cc(F)cc(F)c1O	853242055	ZUPRWVGLYZETHW-JSGCOSHPSA-N	324.415	3.443	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2CCCN(CC3CC3)C2)cc1F	853093595	ORMKFUFZSUYROP-QGZVFWFLSA-N	319.468	3.103	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](O)COc2ccccc2)c(O)c1C	756394834	AHWUKSWOGAUOEI-HZPDHXFCSA-N	315.413	3.100	10	20	DGCD	
CC[C@@H](N[C@H](C)c1cc(F)cc(F)c1O)C(=O)OC(C)(C)C	756660259	UNLNZJDGNYXKJD-NOZJJQNGSA-N	315.360	3.441	10	20	DGCD	
COc1cccc(CNC(=O)Cc2ccc(C)cc2Cl)c1O	762523134	DDRCVNYAYJBGFE-UHFFFAOYSA-N	319.788	3.222	10	20	DGCD	
COC/C=C\C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863161801	KHGDGNLWQZOESM-TWGQIWQCSA-N	312.413	3.221	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3CCC(F)(F)C3)ccc21	763706962	MZAQCJKEPUYBQD-CQSZACIVSA-N	323.387	3.056	10	20	DGCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H](C)N(C2CCC2)C1=O	761576058	AEJSFJRZHLGZTJ-STQMWFEESA-N	315.417	3.019	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC4(CC4)C3)c2C)cc1	1119628287	AJMHUNGMRSPQRJ-UHFFFAOYSA-N	310.397	3.339	10	20	DGCD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	772997351	HFUURJSFCOSREN-RYUDHWBXSA-N	314.433	3.073	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)cc1O	776473744	LDUNRLFXABIONK-UHFFFAOYSA-N	311.259	3.047	10	20	DGCD	
CN1C(=O)/C(=C/c2cc(Cl)cc3c2OCC3)SC1=S	782878974	CPUSEQKXORBALN-POHAHGRESA-N	311.815	3.106	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@@](C)(O)C(F)F	885940544	MAZIUVFKHZZODO-QGZVFWFLSA-N	312.404	3.125	10	20	DGCD	
COc1ccc(CNC(=O)NCCC2=CCCCC2)c(O)c1	792761791	HJLJJKZKSIWGQY-UHFFFAOYSA-N	304.390	3.091	10	20	DGCD	
COc1ccc(CNC(=O)CCc2ccc(C)cc2C)c(O)c1	794378096	CDIJRDXZWIGSIJ-UHFFFAOYSA-N	313.397	3.267	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC2(OC)CCC2)cc1F	790606037	CZWCXDFYDXGJPP-UHFFFAOYSA-N	322.424	3.247	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC2CCC(=O)CC2)cc1	1334293005	SOJYWDDZTUOIGO-UHFFFAOYSA-N	310.397	3.336	10	20	DGCD	
C[C@H]1C[C@H](C)N(c2nnc(-c3sccc3O)n2CC2CC2)C1	1520582136	ZXRIJUFAAKXKTH-QWRGUYRKSA-N	318.446	3.357	10	20	DGCD	
CCC(C)(C)C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1	1754164739	NVUSTJWFVXFWDW-FPLPWBNLSA-N	318.461	3.202	10	20	DGCD	
O=C(NCCCSc1nccs1)NC[C@H]1CC=CCC1	152829929	WREHKBLUNMHVNE-LBPRGKRZSA-N	311.476	3.281	10	20	DGCD	
CC(C)C(=O)NC[C@H]1CCCN(Cc2cccc(Cl)c2O)C1	179931209	YYRLBKCNCQUNCQ-CYBMUJFWSA-N	324.852	3.030	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C	179302932	SNQQCLSPMVFODA-CVEARBPZSA-N	315.461	3.474	10	20	DGCD	
C[C@@H]1CCC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1	303034202	YBRAJDXEDPCICB-PBHICJAKSA-N	315.461	3.447	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2c(C)[nH]c3ccccc23)c1	114543616	LQXGBVAUCYPDMB-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC(F)(F)F)cc1F	66841148	KPFNSBKUUUSPNY-UHFFFAOYSA-N	306.303	3.241	10	20	DGCD	
CSC[C@@H]1CCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	400067868	FGSZVSXSBRHCJJ-PZBABLGHSA-N	322.386	3.024	10	20	DGCD	
CCOCCCN1CC[C@@H](N[C@@H](C)c2ccccc2O)[C@H](C)C1	183515060	KVLBRBOPCKJWIC-SOLBZPMBSA-N	320.477	3.180	10	20	DGCD	
C[C@H](NCCc1ccc2c(c1)CCO2)c1ccc(F)cc1O	185451888	ZXUPLWJYGLRAIZ-LBPRGKRZSA-N	301.361	3.360	10	20	DGCD	
CN(C)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1	125056146	CAZRYTMIMMQMCC-UHFFFAOYSA-N	311.429	3.201	10	20	DGCD	
C[C@@H](c1ccsc1)N1CCN(Cc2ccccc2O)CC1	184971026	IAQGPICBZUJOHA-AWEZNQCLSA-N	302.443	3.333	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1OCC(=O)N(C)Cc1ccccc1O	184566263	GZRJKJKJPJPILI-RHSMWYFYSA-N	305.418	3.336	10	20	DGCD	
CCOc1cc(CNCc2ccc(N(C)C)cc2)ccc1O	72727500	BQWMYKXCYNLHJB-UHFFFAOYSA-N	300.402	3.147	10	20	DGCD	
COC1CCN(Cc2cc(Br)cc(C)c2O)CC1	124521968	GERMFYXOMPDLBJ-UHFFFAOYSA-N	314.223	3.074	10	20	DGCD	
CCCN(CCc1cccc(F)c1)C(=O)c1cccc(O)c1O	187093362	PLZMEFKEMXKXIA-UHFFFAOYSA-N	317.360	3.332	10	20	DGCD	
COc1ccc(CN(C)Cc2c(O)cccc2Cl)cc1O	131302720	DVXVRHAVUZLETI-UHFFFAOYSA-N	307.777	3.392	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCc2cnn(C)c2)c1O	187048941	CRYYYLWBQBSHLG-SNVBAGLBSA-N	324.222	3.047	10	20	DGCD	
C[C@H](Sc1nccs1)C(=O)Nc1ccc(N(C)C)cc1	48874434	NQPGUYRZUOWMBC-JTQLQIEISA-N	307.444	3.328	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC2CC(C)(C)NC(C)(C)C2)c1	192935051	JGFQUPFHYFAJNE-LBPRGKRZSA-N	306.450	3.361	10	20	DGCD	
Cc1c(Cl)cccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	194848471	XEWFSUNTEYJGBY-SNVBAGLBSA-N	319.788	3.421	10	20	DGCD	
COC(=O)[C@]1(C)CCN(Cc2cc(Cl)cc(Cl)c2O)C1	93813770	SGZBUUOLIWXKHV-CQSZACIVSA-N	318.200	3.084	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)[C@H](C)CN)c2C)c1	237636418	RKNPUGFVFJKDNL-OAHLLOKOSA-N	313.445	3.130	10	20	DGCD	
COc1cccc([C@H](CN[C@@H](C)c2ccccc2O)OC)c1	527920595	NYSBLEYQLMETAZ-UGSOOPFHSA-N	301.386	3.439	10	20	DGCD	
Cc1c(CNC(=O)c2cc(C)n(C)c2C)n(C)c2ccccc12	352125884	NKTXPQJSMJIMNO-UHFFFAOYSA-N	309.413	3.372	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	262139176	MFZZSFPOBNLRFO-STQMWFEESA-N	314.351	3.296	10	20	DGCD	
OC[C@@]1(c2ccccc2)CCN(Cc2cc(Cl)ccc2O)C1	368270086	RQCRBQXGBITCSH-GOSISDBHSA-N	317.816	3.182	10	20	DGCD	
CO[C@H](C)CN[C@@H](C)c1cc(Br)cc(C)c1O	276981561	WAJSFKAUMJJHSZ-ZJUUUORDSA-N	302.212	3.149	10	20	DGCD	
Cc1nnc([C@@H](C)NC(=O)c2cc(C)n(-c3ccccc3)c2C)[nH]1	286546067	ZTXOYEABUVSGQI-GFCCVEGCSA-N	323.400	3.012	10	20	DGCD	
CO[C@H]1CCC[C@@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	280252360	LVSXESWHSDAXMU-AEFFLSMTSA-N	318.461	3.306	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(C2CC2)cc1	295698188	DZEGINISUAFQTM-UHFFFAOYSA-N	303.383	3.379	10	20	DGCD	
CCC(=O)N1CC[C@H](N[C@H](C)c2cc(Cl)cc(C)c2O)C1	808702204	CPPIMRDUHSCWAZ-YPMHNXCESA-N	310.825	3.016	10	20	DGCD	
Cc1ccoc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	293657440	LTCPZEOSSZEXSY-CQSZACIVSA-N	318.392	3.415	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)Nc2nccs2)C2CC2)cc1	299025566	AGJLWUSJBODIKJ-UHFFFAOYSA-N	316.430	3.406	10	20	DGCD	
CC[C@@H](C)NC(=O)CCN[C@H](C)c1cc(Cl)cc(C)c1O	808682497	RVYZWQWAJPTMNH-VXGBXAGGSA-N	312.841	3.309	10	20	DGCD	
CC[C@H](N[C@H](C(=O)N(C)CC)C(C)C)c1ccc(F)cc1O	296586230	URZKKSBDSNNAIR-HOCLYGCPSA-N	310.413	3.075	10	20	DGCD	
CCn1nc(C)c(CNCc2cc(-c3ccccc3)ccc2O)n1	818221601	QLLQDXWDPKLWMJ-UHFFFAOYSA-N	322.412	3.269	10	20	DGCD	
C[C@]1(CNCc2cc(Cl)c(F)cc2O)CCCC[C@H]1O	816555869	SCPRMSNQFSFDJC-HUUCEWRRSA-N	301.789	3.216	10	20	DGCD	
C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(N(C)C)cc1	810000980	SSWZNFXCYKKABA-AWEZNQCLSA-N	310.397	3.109	10	20	DGCD	
COc1ccc(N2CCCN(CCC3CCOCC3)CC2)cc1	814618951	JADCGEATGGPDLH-UHFFFAOYSA-N	318.461	3.024	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(O)ccc1Cl	810411481	OFBZOCMTDJKOTN-UHFFFAOYSA-N	318.804	3.350	10	20	DGCD	
OCC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1	817419233	RHWDBJFCMPRSNJ-NSHDSACASA-N	301.789	3.169	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1c(F)ccc(O)c1F	816549839	ZTWZAVJLHCQAHD-UHFFFAOYSA-N	306.356	3.335	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cnc(C3CC3)s2)cc1	729303278	KATKGWXACZJQMU-UHFFFAOYSA-N	301.415	3.017	10	20	DGCD	
CCN(CCSC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	826530427	FWFNNRUDGIVALC-CYBMUJFWSA-N	309.479	3.208	10	20	DGCD	
O=C(O)c1ccc(CNCc2cc(Cl)cc(F)c2O)cc1	821546022	ZSMCOPMKYNCRSP-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
Cn1nc(NCc2ccc(N3CCOCC3)cc2)c2ccccc21	902689756	QJKUMVMHUZPYOC-UHFFFAOYSA-N	322.412	3.022	10	20	DGCD	
CCCCOCC(=O)NCc1ccc(N2CCCCC2)cc1	735654082	FWQYIFIETCMMLJ-UHFFFAOYSA-N	304.434	3.110	10	20	DGCD	
Cc1ncsc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1	742368546	CGYXEYMNSOGHAX-ZDUSSCGKSA-N	317.458	3.139	10	20	DGCD	
C[C@H](CC(C)(C)NCc1c(O)ccc(Cl)c1F)C(=O)O	841816034	OILBTBWAPBRFFN-MRVPVSSYSA-N	303.761	3.164	10	20	DGCD	
CC[C@@H](C)N(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840488743	NGSUBGYADBFRRE-HUUCEWRRSA-N	305.466	3.432	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@H](C1CCC1)C1CC1	845250998	JBBTXUOUTFPTEL-OAHLLOKOSA-N	308.809	3.424	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@H]1CCCN1	843048029	JOJXUOCTUHQDSY-ZIAGYGMSSA-N	312.816	3.291	10	20	DGCD	
CCOc1cccc(CNC[C@H](O)[C@H](C)c2ccccc2)c1O	850412264	VICIHGLBJAZJGX-PBHICJAKSA-N	315.413	3.045	10	20	DGCD	
C[C@H]1C[C@H](NCCNC(=O)OC(C)(C)C)c2c(O)ccc(F)c21	756517953	RIRWOGJETOWBCE-JQWIXIFHSA-N	324.396	3.194	10	20	DGCD	
C[C@H](NCc1cccnc1N1CCCC1)c1ccc(F)cc1O	850502017	RGTFWAXVMWIJSB-ZDUSSCGKSA-N	315.392	3.377	10	20	DGCD	
COCC1(CNC(=O)NCc2cc(C)ccc2O)CCCCC1	858472881	JZPUWCCFINZSTC-UHFFFAOYSA-N	320.433	3.097	10	20	DGCD	
CCCN(CCCC(=O)NCC(C)C)Cc1ccccc1O	851791832	HDVHCAOZMYVLKT-UHFFFAOYSA-N	306.450	3.157	10	20	DGCD	
CC(C)Nc1ncccc1C(=O)NCc1cc(Cl)ccc1O	857547908	ZZMDNWUJWSMTPJ-UHFFFAOYSA-N	319.792	3.191	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(CC(=O)O)CCC2)cc1	756311280	UPFUDMNCMBMQCP-UHFFFAOYSA-N	304.434	3.267	10	20	DGCD	
CN(Cc1c(O)cccc1Br)[C@H]1CCSC1	862221041	QFAOYFCEOBWHDO-VIFPVBQESA-N	302.237	3.092	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@](C)(O)C(F)(F)F)cc1F	760448790	ABOVJPULMKJTQL-AWEZNQCLSA-N	322.346	3.075	10	20	DGCD	
O=C(NCc1ccc(N2CCOCC2)cc1)OC1CCCCC1	866582648	LUCIPVUQGIVSRU-UHFFFAOYSA-N	318.417	3.082	10	20	DGCD	
COC(C)(C)c1nsc(NCc2cc(Cl)ccc2O)n1	865909162	XJCHZOJCSCOURE-UHFFFAOYSA-N	313.810	3.391	10	20	DGCD	
CCOc1ccc(CN(C)Cc2ccc(O)c(OC)c2)c(O)c1	768239703	KNVMINRXVTXYQG-UHFFFAOYSA-N	317.385	3.137	10	20	DGCD	
C[C@@H]1C[C@H]1c1nnc(NCc2cc(F)c(N(C)C)cc2F)o1	865294851	VBPUDCGHOAVDMM-PSASIEDQSA-N	308.332	3.149	10	20	DGCD	
CS(=O)(=O)c1ccc(Sc2ncc(Cl)s2)cc1	765022348	YPYDEAIGQBRGFT-UHFFFAOYSA-N	305.833	3.351	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC(C(F)F)C2)cc1	769429892	ZRMOPPYQCOLAAI-UHFFFAOYSA-N	304.340	3.431	10	20	DGCD	
CN(C(=O)c1cccc(CN2CCCC2)c1)c1ccc(N)cc1	877077465	JGIASQDCJUFBFH-UHFFFAOYSA-N	309.413	3.141	10	20	DGCD	
Cc1cccc(O)c1CNCCc1cc(C(F)(F)F)ccn1	877551506	CESSPLQVJMLCFR-UHFFFAOYSA-N	310.319	3.447	10	20	DGCD	
C[C@@H](NC(=O)NC(C1CC1)C1CC1)c1ccc(N(C)C)cc1	773163589	SAKYFJGTKXHXHT-GFCCVEGCSA-N	301.434	3.301	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1n1ccnc1	775738244	XFUNCAWPVZPHIU-ABAIWWIYSA-N	323.799	3.464	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)C(F)F	881012653	HRMQKIFCIUOCLR-GFCCVEGCSA-N	300.349	3.358	10	20	DGCD	
COc1ncc(/C=C/C(=O)N(CC2CCC2)c2ccccc2)cn1	775869019	GJEAYIMWFVTGPZ-ZHACJKMWSA-N	323.396	3.332	10	20	DGCD	
O=C(NCCCSc1nccs1)N1C[C@H]2CCC[C@H]1C2	893645172	HLDJFRQVGITOQF-RYUDHWBXSA-N	311.476	3.209	10	20	DGCD	
CC[C@](C)(CCO)NCc1ccc(N(C)C)cc1C(F)(F)F	793011438	VEDGLIAORJATQV-OAHLLOKOSA-N	318.383	3.412	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C	192691152	NZWSQZBVPWHDDZ-WDEREUQCSA-N	312.385	3.095	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@H]2CCN(Cc3ccccc3)C2)c1	192933483	PEBPHFNYIUOLCV-SFHVURJKSA-N	310.441	3.312	10	20	DGCD	
CCOc1ccc(CN(CCOC)[C@@H]2CC[C@H](C)C2)c(O)c1	792192990	PGBPNIHGGHHJQR-GOEBONIOSA-N	307.434	3.428	10	20	DGCD	
C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1O	790934594	NRZXYHORKYGJCC-MFKMUULPSA-N	301.789	3.310	10	20	DGCD	
C[C@@H]1CN(c2nnc(-c3sccc3O)n2C)[C@H]2CCCC[C@H]12	1339458684	RTTCCOUBFYMROZ-UTUOFQBUSA-N	318.446	3.264	10	20	DGCD	
C[C@H](NC(=O)N[C@H]1CCC[C@H](F)C1)c1ccc(N(C)C)cc1	1332095099	YOPYUIMBIGBENM-QEJZJMRPSA-N	307.413	3.394	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(C(=O)O)c(C)[nH]2)cc1	1605436036	YZADQSUFUFTAAE-UHFFFAOYSA-N	315.417	3.157	10	20	DGCD	
COc1ccc(CNCC[C@H](C)NC(=O)CC2CCC2)cc1C	1753954995	RQQJNCNAZDBTDK-HNNXBMFYSA-N	318.461	3.178	10	20	DGCD	
COc1ccc(CNCc2ccc(C(=O)O)cc2F)cc1C	1599572979	OGMPREDWAXBJID-UHFFFAOYSA-N	303.333	3.131	10	20	DGCD	
CC[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	156684706	WIZWHGVAQZGREZ-HNNXBMFYSA-N	313.397	3.340	10	20	DGCD	
Cc1cccc(CN[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1O	309724041	MZVAMLSBTNOMES-LPHOPBHVSA-N	310.441	3.453	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc(C)n(C(C)C)c2C)c1	114541730	WNFOHTOQIFVBKF-UHFFFAOYSA-N	316.401	3.330	10	20	DGCD	
Cc1nc(Cl)cc(NCc2ccc3c(c2)CCCN3C)n1	301155056	POKHTZMMRPLWQN-UHFFFAOYSA-N	302.809	3.433	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)/C=C(\C)C3CC3)CC2)cc1	171018290	AXWRSDVCCYDIAQ-BUHFOSPRSA-N	314.429	3.137	10	20	DGCD	
C[C@@H](NCCC(=O)NC1CCCCC1)c1ccc(F)cc1O	185091030	PQGRMHPFQBCGTC-GFCCVEGCSA-N	308.397	3.021	10	20	DGCD	
Cc1cccc(CN2CCSC[C@H]2c2nccs2)c1O	186666212	KEYNFXUKQCBLCQ-ZDUSSCGKSA-N	306.456	3.447	10	20	DGCD	
Cc1ccc([C@@H](C)NC2CCN(C(=O)CC(C)C)CC2)c(O)c1	185215229	ORSLEAPZXNLEEM-OAHLLOKOSA-N	318.461	3.388	10	20	DGCD	
Cc1ccccc1CNC(=O)NCc1ccc(N2CC=CC2)cc1	127970491	CJBVWWYDFAZXFL-UHFFFAOYSA-N	321.424	3.371	10	20	DGCD	
CCOC1CCN(Cc2cc(Br)ccc2O)CC1	132469846	UJNSBHYDEGNXSC-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
Cc1c(CN[C@@H](C)c2cc3n(n2)CCC3)n(C)c2ccccc12	414152568	QMJXSOTXMICCJH-AWEZNQCLSA-N	308.429	3.480	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H](CO)Cc2c[nH]c3ccccc23)c(O)c1	185464527	JCKJCBHTNUODRR-ZBFHGGJFSA-N	324.424	3.436	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCC(=O)N1CCCCC1	322661326	FYCVAOUACQKONV-CABCVRRESA-N	316.445	3.241	10	20	DGCD	
Cc1ccc(O)c(CN2CCOC[C@@H]2c2nc(C)cs2)c1	190413386	UOAJKQBLLQVYEX-CQSZACIVSA-N	304.415	3.039	10	20	DGCD	
CO[C@H]1C[C@@H](NCc2cc(Br)ccc2O)C1(C)C	227831998	SUQBGVBVDSLBRQ-OLZOCXBDSA-N	314.223	3.058	10	20	DGCD	
O=C(NCc1ccccc1O)NCC1(c2cccc(F)c2)CC1	265735441	CKGHGRQOZIBRGX-UHFFFAOYSA-N	314.360	3.062	10	20	DGCD	
Cc1ccc([C@H](C)NCCc2cn3c(n2)CCCC3)c(O)c1C	368477327	FQFKSRLZPMPEOX-HNNXBMFYSA-N	313.445	3.435	10	20	DGCD	
O[C@H](CNCc1ccc2c(c1)CCO2)c1cc(F)cc(Cl)c1	278794299	QWMBNNMHMIUDOT-MRXNPFEDSA-N	321.779	3.237	10	20	DGCD	
CNC(=O)c1cccc(CN[C@@H](C)c2c(C)cc(C)cc2O)c1	284242692	VEODBZRULFBINQ-AWEZNQCLSA-N	312.413	3.219	10	20	DGCD	
CCC(CC)(CCO)NCc1cc(Cl)cc(OC)c1O	282984942	JOXCKJDHGRMBJI-UHFFFAOYSA-N	301.814	3.085	10	20	DGCD	
Cc1cc(C)cc([C@@H](O)CNCc2cccc(Cl)c2O)c1	282978238	JBCDKNDBTDIGPT-INIZCTEOSA-N	305.805	3.486	10	20	DGCD	
CC1(C)CC(C(=O)NCc2cccc(Br)c2O)C1	803214343	SAKNGSFYKMSLRF-UHFFFAOYSA-N	312.207	3.207	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)CCCNC(=O)OC(C)(C)C)c1	295115640	MJVWNZPZUCIHOM-CQSZACIVSA-N	322.449	3.484	10	20	DGCD	
COc1cc(O)c(CNCCC2C[C@@H](C)O[C@H](C)C2)cc1OC	802659981	TZDMSOCCBHQAKI-CHWSQXEVSA-N	323.433	3.093	10	20	DGCD	
C[C@@H](NC[C@H]1CCCNC1)c1cc(Cl)c(Cl)cc1O	817946575	ZWSKCESMLDWQRJ-ZJUUUORDSA-N	303.233	3.349	10	20	DGCD	
CCNCCCN[C@H](CC)c1ccc(C(F)(F)F)cc1O	817943383	MJBDORJLRXMUNA-CYBMUJFWSA-N	304.356	3.451	10	20	DGCD	
C[C@H](NCCC1CC(O)C1)c1cccc(C(F)(F)F)c1O	815621118	LWMKJHDZHPQQCV-WHXUTIOJSA-N	303.324	3.223	10	20	DGCD	
CCC/C(C)=C/C(=O)N(CC(=O)OCC)Cc1ccccc1O	819696346	QLSFOWUJIDDKHX-SDNWHVSQSA-N	319.401	3.030	10	20	DGCD	
OC[C@H](CNCc1cc(Cl)cc(F)c1O)C1CCCCC1	816649536	BEABRDPSDXYXGM-ZDUSSCGKSA-N	315.816	3.463	10	20	DGCD	
CC[C@@H](NCC1(CO)CC1)c1ccc(C(F)(F)F)cc1O	810220611	ATVQJGYKUVFMEJ-GFCCVEGCSA-N	303.324	3.224	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCCN(C)C	729286751	XOGMRFWHKUQKHO-UHFFFAOYSA-N	319.493	3.222	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(C)on2)cc1	728222229	AQJSBKFYDXWARH-UHFFFAOYSA-N	301.390	3.101	10	20	DGCD	
O=C(O)C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1F	904044774	DCWRCOAUTAYPPJ-MRXNPFEDSA-N	315.344	3.066	10	20	DGCD	
O=[N+]([O-])c1cc(CN2CC[C@@H](F)C2)ccc1N1CCCCC1	824572228	VMLYSYWZZUOUIX-CQSZACIVSA-N	307.369	3.129	10	20	DGCD	
CC(C)(C(=O)O)[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1	833418790	APAROUJBWFRLHU-GFCCVEGCSA-N	311.809	3.368	10	20	DGCD	
CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2CC)c(O)c1	915227538	VWFPRWBCUDEUJD-KRWDZBQOSA-N	312.369	3.377	10	20	DGCD	
C[C@@H](CCc1ccco1)NC(=O)NCc1cc(Cl)ccc1O	844860445	BXLMEKVGSWSMMT-NSHDSACASA-N	322.792	3.459	10	20	DGCD	
CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(N(C)C)cc2C)C1	840935386	NUDDQBZTQHKGTG-ZJBJCVSYSA-N	322.518	3.230	10	20	DGCD	
CCN(C)c1ccc(Cn2cccc(C(F)(F)F)c2=O)cc1	747808289	CHEJGIIEWMCACV-UHFFFAOYSA-N	310.319	3.372	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCO[C@H](c3ccncc3)C2)c1O	848916695	WMAVIJQXLWHTBM-MSOLQXFVSA-N	312.413	3.360	10	20	DGCD	
Cc1cccc(NC(=O)CN2CCCc3cc(CN)ccc32)c1C	843351554	OOJMOXVSMJGNQO-UHFFFAOYSA-N	323.440	3.153	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN[C@H](CO)CCF)cc1	846096526	IMUFCFLDAIGTLL-HNNXBMFYSA-N	322.449	3.195	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1(C2CCC2)CC1	844993374	WKHOGMSWFNJASK-UHFFFAOYSA-N	301.434	3.193	10	20	DGCD	
Cc1cc(C(=O)Cn2ccsc2=O)c(C)n1-c1ccccc1	741447173	IEFJAUMQEXIPOF-UHFFFAOYSA-N	312.394	3.200	10	20	DGCD	
CCOc1ccc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c(O)c1	840827213	CONMSWXOHFYXTC-OAHLLOKOSA-N	320.433	3.046	10	20	DGCD	
CCO/C=C/C(=O)NCc1ccc(N2CCC(C)CC2)cc1	847474009	DLPXEIZNOMYHES-JLHYYAGUSA-N	302.418	3.089	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C2CC2)n(C)n1	743329951	SSPBKRIJJSHYML-UHFFFAOYSA-N	313.401	3.056	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2nc3c(s2)CCC3)cc1F	922470905	BWJOCXSKXQZDDD-UHFFFAOYSA-N	323.412	3.266	10	20	DGCD	
Cc1c(NC(=O)NCCc2ccc(N)cc2)cccc1N(C)C	841172730	CHIIZQHJMBKXHJ-UHFFFAOYSA-N	312.417	3.007	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cnnn2C)c(C)n1-c1ccccc1	926763620	CXIVTRVGFSCQQC-CQSZACIVSA-N	309.417	3.073	10	20	DGCD	
C[C@@H](NCCNc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756642352	NBWRXOMJGAGEGS-GFCCVEGCSA-N	301.346	3.063	10	20	DGCD	
CSCC1(CCNC(=O)NCc2ccc(N(C)C)cc2)CC1	852502086	ZNGDZFBXJZKRFG-UHFFFAOYSA-N	321.490	3.085	10	20	DGCD	
C[C@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O	850555923	JYJCMTMCUKISCO-NWDGAFQWSA-N	324.852	3.343	10	20	DGCD	
CC1=CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)CC1	755757402	FQCOEVYOSKXRCJ-UHFFFAOYSA-N	323.392	3.481	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]2(C)CCCO2)cc1	755440198	LIEWVOPBXMBKOT-LJQANCHMSA-N	312.413	3.393	10	20	DGCD	
COc1cc(CN2CCC(N3CCCCC3)CC2)c(O)cc1C	768440648	SOVNXYZAOQUDFQ-UHFFFAOYSA-N	318.461	3.160	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1(c2ccccn2)CC1	866770867	HPTHLRVXJPBJOI-UHFFFAOYSA-N	322.408	3.014	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](C)c2cncc(F)c2)c1O	761214648	GPLLIYZZUHTAJN-VIFPVBQESA-N	310.756	3.439	10	20	DGCD	
COc1cc(CN2CCc3ccc(F)cc3C2)c(O)cc1C	768462137	JWTXTABJKNMIMI-UHFFFAOYSA-N	301.361	3.407	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@H](CC)c1cc(Cl)ccc1O	775554672	CZTXJNRISVEXHI-IJEWVQPXSA-N	313.825	3.280	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	773990683	WGCZPKVYECJCSA-PRDAAYKISA-N	315.442	3.408	10	20	DGCD	
CCCc1cc(N[C@H](C)c2ccc(N(C)C)cc2)n2ncnc2n1	772300053	YTBSBHYBTMNHRN-CYBMUJFWSA-N	324.432	3.316	10	20	DGCD	
CC[C@@H](CO)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	779616154	QDRGWDKQTXHXGN-INIZCTEOSA-N	318.461	3.090	10	20	DGCD	
CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc(O)cs1	776251058	OZZMDRGUCGGESY-YMTOWFKASA-N	309.362	3.099	10	20	DGCD	
CCN(CCc1cccs1)C(=O)/C=C/c1ccc(O)c(O)c1	779502468	ZIQQRGMCYNMPDN-SOFGYWHQSA-N	317.410	3.264	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@H](Cc3ccccc3)C2)cc1C	776291358	BQKRVJQJWLKGFX-LJQANCHMSA-N	311.425	3.453	10	20	DGCD	
CCN(C(C)=O)c1ccc(NCc2cc(F)cc(F)c2O)cn1	883166989	NIQDFTRSPMHPLE-UHFFFAOYSA-N	321.327	3.050	10	20	DGCD	
Cc1ccc(-n2nnnc2Sc2ncc(Cl)s2)cc1	780906947	RVOQWCQLPWLZDG-UHFFFAOYSA-N	309.807	3.232	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNCC(F)(F)c2ccccc2)c1	788968926	CZCDFIQNOMVZLS-UHFFFAOYSA-N	308.284	3.182	10	20	DGCD	
COc1ccc(CNc2cccc(OCCF)c2)c(O)c1OC	892390573	ZRYXJGNQHSHICH-UHFFFAOYSA-N	321.348	3.370	10	20	DGCD	
COc1cc(Cl)cc(CNc2ccc3c(c2)OCO3)c1O	76274213	IENPNLMFUCIJAY-UHFFFAOYSA-N	307.733	3.395	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccsc1	795774675	QHCQJWZFMKRYJY-UHFFFAOYSA-N	324.471	3.025	10	20	DGCD	
Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)O2	792850709	YOXRRCNZMORDSU-LJQANCHMSA-N	324.424	3.071	10	20	DGCD	
CNC(=O)Nc1cc(N[C@@H](C)c2ccccc2O)ccc1F	797056622	OYZSSVCJVKEVTB-JTQLQIEISA-N	303.337	3.456	10	20	DGCD	
C[C@H](NCC(C)(C)C1(O)CCCC1)c1cc(C(=O)O)ccc1O	1593239924	IJGUJVIWNLWLHI-LBPRGKRZSA-N	321.417	3.072	10	20	DGCD	
O=C(Cc1cccc(Br)c1)NCc1ccccc1O	134240897	NYYIGVSBROJSPT-UHFFFAOYSA-N	320.186	3.014	10	20	DGCD	
Cc1ccccc1CNC(=O)NCCCSc1nccs1	151735162	USYOXXIRMGGCDC-UHFFFAOYSA-N	321.471	3.433	10	20	DGCD	
C[C@@H]1CCCN(C(=O)NCCCSc2nccs2)CC1	154643141	VAULYODKTLHWGB-GFCCVEGCSA-N	313.492	3.457	10	20	DGCD	
Cn1c(Cl)cnc1CNCc1cc(Cl)cc(Cl)c1O	393321344	GTKFVARMZYTOEQ-UHFFFAOYSA-N	320.607	3.376	10	20	DGCD	
COc1ccccc1C(C)(C)NCc1cc([N+](=O)[O-])ccc1O	103171928	XWXUGMDLDWCUIU-UHFFFAOYSA-N	316.357	3.334	10	20	DGCD	
CS[C@@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	108295538	KKLXVCCJNMQUQK-AWEZNQCLSA-N	306.475	3.291	10	20	DGCD	
Cc1cc(O)c(CN2CCN(Cc3ccsc3)CC2)cc1C	23856247	QQLUEYOHWDPPOQ-UHFFFAOYSA-N	316.470	3.388	10	20	DGCD	
Cc1ccnc(NCCCSc2nccs2)c1[N+](=O)[O-]	301259547	FEGWMWUPJWYTPG-UHFFFAOYSA-N	310.404	3.349	10	20	DGCD	
CCN(Cc1ccccn1)Cc1cc(Cl)cc(OC)c1O	184692986	ANABVHOZVALNOW-UHFFFAOYSA-N	306.793	3.471	10	20	DGCD	
CC[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1	127534935	LXDZFXLLBAJKEL-AWEZNQCLSA-N	303.333	3.047	10	20	DGCD	
C[C@@H](C1CC1)N(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1	73915570	XOAIOODNMOVVNI-LBPRGKRZSA-N	319.424	3.364	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](Cn2ccnc2)C(C)(C)C)c1	319981727	JRGMCEMQTDUTHG-CXAGYDPISA-N	317.433	3.363	10	20	DGCD	
C[C@H](NCc1ccc([S@](C)=O)cc1)c1ccc(F)cc1O	186094669	YBUVGPXLCIWQDP-MQJDWESPSA-N	307.390	3.120	10	20	DGCD	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc3ccccc3c1O)CC2	185317736	DGFQQSVSVKMFHR-WFASDCNBSA-N	322.412	3.111	10	20	DGCD	
CN(CCCN[C@@H]1CCc2cccc(O)c21)Cc1ccccc1	381800245	SFRKKIRVMHKPAX-GOSISDBHSA-N	310.441	3.491	10	20	DGCD	
CCc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1	437027854	VJHDCFVHNOXJES-UHFFFAOYSA-N	324.424	3.283	10	20	DGCD	
CCOc1cccc(CN(CCCO)Cc2ccccc2)c1O	93102115	NXINYTOLTVZEAS-UHFFFAOYSA-N	315.413	3.176	10	20	DGCD	
CC(C)Cn1nccc1NC(=O)c1ccc(C2=S=CC=C2)o1	341099659	QKOLMLKCHITUKA-UHFFFAOYSA-N	315.398	3.010	10	20	DGCD	
Cc1c(CNC(=O)NCCC(C)(F)F)n(C)c2ccccc12	454869591	GFLUESISVFFFCA-UHFFFAOYSA-N	309.360	3.331	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1nncn1-c1ccccc1	277626536	GQNPOUXVEAAJHB-UHFFFAOYSA-N	322.412	3.385	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCC(=O)[C@H]1C	279908346	MWVZLCAHTVGKEH-UONOGXRCSA-N	303.402	3.136	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)cc1OC	274325332	DQZOZBWFXOQXLW-SJORKVTESA-N	323.433	3.091	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)N1CCCCC1	801598631	DHIVXQMAWYXCEU-MRXNPFEDSA-N	318.461	3.395	10	20	DGCD	
Cc1cc(C(=O)NC[C@@H](C)CCCO)c(C)n1-c1ccccc1	295411357	LCQKPQMASVTLSH-AWEZNQCLSA-N	314.429	3.233	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1cnn(C)c1	801550012	LCVBRRYILWKLPO-AWEZNQCLSA-N	315.417	3.058	10	20	DGCD	
C[C@@H](c1cc(F)ccc1O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1	296473755	NWKCNZQLWZXDSY-STQMWFEESA-N	322.424	3.206	10	20	DGCD	
Oc1cc(/C=C\c2ccc(N3CCOCC3)cc2)nc(C2CC2)n1	806563860	BLAKWVQROICZKR-BHQIHCQQSA-N	323.396	3.067	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](c1ccccc1)c1nc[nH]n1	808696685	RSUWWPXRIZDQSV-SFHVURJKSA-N	321.428	3.058	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H]3CCC34CCC4)C2)cc1	818342103	LOUYAKKCLVVXTL-YJBOKZPZSA-N	300.446	3.444	10	20	DGCD	
CCC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819583494	WYFCFAANBBATDA-AWEZNQCLSA-N	304.434	3.074	10	20	DGCD	
CCC(CC)(CNC(=O)NCc1ccc(N(C)C)cc1C)OC	813646336	IGYBUEHQSAHQFZ-UHFFFAOYSA-N	321.465	3.065	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1=CCCC1	823099395	ZFXAEVINYPZASJ-UHFFFAOYSA-N	301.434	3.394	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1	739922385	JVPDAMGUVLCIAC-HDMKZQKVSA-N	318.461	3.462	10	20	DGCD	
C[C@H]1C[C@@H](C)[C@@H](C(=O)O)[C@H](C)N1Cc1ccc(N(C)C)cc1	903951317	TXJKDFFJSZOXSW-XJIUQZFPSA-N	304.434	3.072	10	20	DGCD	
CC[C@@]1(C(=O)O)CCCN(C/C=C/c2ccc(N(C)C)cc2)C1	904399019	WVKCXXPFXOCRED-WSSFADSRSA-N	316.445	3.343	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(CCO)cc2)c2c(O)ccc(F)c21	903404254	YZPGHRWSWOTEPB-LRDDRELGSA-N	315.388	3.404	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2ncc[nH]2)c1	588406659	CLGVUJPTQJLTSF-ALCCZGGFSA-N	321.336	3.140	10	20	DGCD	
Oc1ccccc1CN(CCc1cncs1)C[C@@H]1CCCO1	839517336	SIHWCBNWYLVYHF-HNNXBMFYSA-N	318.442	3.072	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	910951557	TWDHCIHKCGKPIO-SKLAPFLYSA-N	319.376	3.023	10	20	DGCD	
O=C([C@H]1CCCS1)N(Cc1ccco1)Cc1ccccc1O	743428669	GZVUCZIBCRXSKN-MRXNPFEDSA-N	317.410	3.410	10	20	DGCD	
CCc1cccc(CNC[C@@H]2COC3(CCCCC3)O2)c1O	848901351	YDWPUBDCEOVWGP-MRXNPFEDSA-N	305.418	3.120	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2Cc3ccccc3[C@@H]2OC)c1O	846169511	RJIPBLPXVPVXSM-MOFZMDFASA-N	313.397	3.364	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CCN3)cc1	841276733	UFUAJHSEIQVJKI-UHFFFAOYSA-N	310.401	3.042	10	20	DGCD	
COc1cccc([C@H](C)NCCCc2ncccc2C)c1O	846170025	UVPCWNGHFPHVIL-AWEZNQCLSA-N	300.402	3.388	10	20	DGCD	
O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cc(O)cs1	743474258	JOHQRFOKCCSOCG-NSHDSACASA-N	301.289	3.487	10	20	DGCD	
C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	746718435	GTLQCNLCAAKVSK-IUODEOHRSA-N	307.413	3.270	10	20	DGCD	
CCc1ccccc1NC(=S)NCc1ncccc1OC	840825529	GQUXSKDSCIMTFL-UHFFFAOYSA-N	301.415	3.139	10	20	DGCD	
COCCOCCCCN[C@H](C)c1ccc(Cl)cc1O	841748074	VXPPBMKXVSXRSA-GFCCVEGCSA-N	301.814	3.139	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CC1	745899117	HODNZTGIRNSJHU-UHFFFAOYSA-N	303.450	3.473	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1cnn(C)c1	840892556	AXKAGKIAYJKZLB-HUUCEWRRSA-N	300.450	3.076	10	20	DGCD	
CCn1c(C)cc(C(=O)NCc2cc(Cl)ccc2O)c1C	846480010	SHRHRMMWPSDKDF-UHFFFAOYSA-N	306.793	3.414	10	20	DGCD	
Cc1ccc(CN2CCc3c(ncn3-c3ccccc3)C2)c(O)c1	929067772	GFEKEFFLCQNJNE-UHFFFAOYSA-N	319.408	3.445	10	20	DGCD	
CN(Cc1ccccc1O)C[C@@H](O)c1ccc(Cl)c(F)c1	759852591	OWZPEAPXGDKSHX-MRXNPFEDSA-N	309.768	3.350	10	20	DGCD	
COCCOCCOc1cccc(NCc2ccccc2O)c1	922904952	LPCFBTCUUFMNSP-UHFFFAOYSA-N	317.385	3.046	10	20	DGCD	
C[C@H](NC[C@@H]1COc2ccccc2C1)c1cc(F)ccc1O	756457848	RRSMEYXDMPCEFP-QWHCGFSZSA-N	301.361	3.433	10	20	DGCD	
COc1cc2c(cc1CN(C)Cc1ccccc1O)O[C@H](C)C2	768872049	AOFQYXKJPLXNTR-CYBMUJFWSA-N	313.397	3.356	10	20	DGCD	
COc1cc(Cl)cc(CNCc2ccc3c(c2)COC3)c1O	761214357	CNXSUJRUYRADHU-UHFFFAOYSA-N	319.788	3.374	10	20	DGCD	
CCc1cnccc1[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O	868475926	OPQLBAWZHKAMES-CHWSQXEVSA-N	313.401	3.471	10	20	DGCD	
Cc1ccc(C(=O)NCCCF)cc1-n1c(C)cc(C=O)c1C	860215583	KKSPQADJRMPVCL-UHFFFAOYSA-N	316.376	3.304	10	20	DGCD	
Oc1cccc2c1C[C@H](NCc1cc(Cl)cc(F)c1O)C2	763477179	DPTVJZBCAPFPBI-GFCCVEGCSA-N	307.752	3.147	10	20	DGCD	
CC1(C)N[C@@H](c2cccc(Cl)c2O)N(c2ccccc2)C1=O	877857263	NIVNKMXLADCPFM-OAHLLOKOSA-N	316.788	3.459	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCC1CCN(C2CC2)CC1	775201332	NUNKVJDCWFAKTJ-UHFFFAOYSA-N	312.816	3.149	10	20	DGCD	
Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773089713	UREPQWYQKMDNCG-AWEZNQCLSA-N	318.442	3.101	10	20	DGCD	
CC[C@@H](NCCC(=O)NC(C)(C)C)c1cc(Cl)ccc1O	775517877	AGMFYQSSEUNRGJ-CYBMUJFWSA-N	312.841	3.391	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	883076301	ZJFLPMLJBJPHRV-WQVCFCJDSA-N	309.356	3.108	10	20	DGCD	
CCCC[C@H](CC)CC(=O)OCC(=O)c1ccc(O)c(O)c1	783713247	ZUEGULRQPIJGQY-LBPRGKRZSA-N	308.374	3.430	10	20	DGCD	
Cc1ccnc(OC2CCN(Cc3cc(F)ccc3O)CC2)c1	783593792	HFWKKMKFYKKHMD-UHFFFAOYSA-N	316.376	3.278	10	20	DGCD	
Cc1ccccc1C1(CNC(=O)c2c(F)ccc(O)c2O)CC1	789972980	AHOYWJMQYHOYQD-UHFFFAOYSA-N	315.344	3.007	10	20	DGCD	
Cc1occc1-c1cc(NC(=O)NCc2ccccc2O)no1	786205195	GZXZALGSFJJBOW-UHFFFAOYSA-N	313.313	3.270	10	20	DGCD	
CC(C)C[C@@H]1COCCN1Cc1c(O)ccc(Cl)c1F	792167936	UEYCZMXBNYXBPK-LLVKDONJSA-N	301.789	3.432	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](c1cccnc1)c1ncc[nH]1	794800528	DGPZUUFAIYHCOL-SFHVURJKSA-N	321.428	3.058	10	20	DGCD	
CC1(C)[C@H](NCc2c(O)ccc(Cl)c2F)[C@@H]2CCCO[C@H]21	790973478	PEYKDIDUACQPFB-TZTCFGBESA-N	313.800	3.478	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCN3CCC[C@H]3C2)cc1F	1319814292	AMRRDHFWCTZDEP-KRWDZBQOSA-N	319.468	3.342	10	20	DGCD	
COc1cc(C)cc(CNc2cnn(CC(C)C)c2C)c1O	1333706346	YXMQNQVHSGLNEK-UHFFFAOYSA-N	303.406	3.482	10	20	DGCD	
CCCCCC[C@](C)(NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776780015	GCZHLNVJIXRAGI-INIZCTEOSA-N	324.377	3.204	10	20	DGCD	
C[C@@H](NCCCN(C)C)c1ccc(N2CCCCC2)c(F)c1	151911500	LAHKDTXWTDTJPZ-OAHLLOKOSA-N	307.457	3.418	10	20	DGCD	
COc1ccc(N2CCCN(Cc3ccc(C)cn3)CC2)cc1	156267852	MNLASQKBOMJVOP-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
O=C1N=C(NC2CCCCC2)S/C1=C\c1ccc(O)cc1	8322940	WVSOBMDCAFPBND-UVTDQMKNSA-N	302.399	3.285	10	20	DGCD	
CN(Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1O	179443678	XEKXYPOZKQRYMV-UHFFFAOYSA-N	307.397	3.269	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1ccc(F)cc1C(F)(F)F	178764712	PNZRBHWENXLRPE-BAQGIRSFSA-N	307.293	3.333	10	20	DGCD	
Cc1cc(C(=O)N(C)C[C@@H]2CCOC2)c(C)n1-c1ccccc1	177226569	ZGHWQERGSLOSII-INIZCTEOSA-N	312.413	3.203	10	20	DGCD	
CCc1ccccc1NC(=O)CN(C)c1ccc2c(c1)OCO2	121236067	ZUFKKMZOFXOMEJ-UHFFFAOYSA-N	312.369	3.053	10	20	DGCD	
CCCCCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	127712003	JSKRCFJNNTWFQQ-UHFFFAOYSA-N	318.461	3.452	10	20	DGCD	
COc1ccc(O)c(CN2CCOC3(CCCCCC3)C2)c1	180547082	JXBWTBFBYIUASU-UHFFFAOYSA-N	305.418	3.326	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCO[C@]3(CCSC3)C2)c1	186136236	IXMSDKDPYGHRFX-GRDNDAEWSA-N	307.459	3.406	10	20	DGCD	
CNC(=O)CC1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1	74723313	SDFDUASCNUFAQO-UHFFFAOYSA-N	318.461	3.172	10	20	DGCD	
CN(CCOCC(F)F)Cc1ccc(N2CCCCC2)cc1	188638355	JTFGWSOXKXCTGB-UHFFFAOYSA-N	312.404	3.390	10	20	DGCD	
CC(=O)C[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C	129341149	JNHVCTCLYVNJCJ-JTQLQIEISA-N	304.415	3.253	10	20	DGCD	
COC(=O)[C@@H](NCc1cc(C)ccc1O)c1ccc(F)c(C)c1	189605911	JUDYQXZUJYLOPE-KRWDZBQOSA-N	317.360	3.152	10	20	DGCD	
C[C@@H](C1CC1)n1cc(NCc2cc([N+](=O)[O-])ccc2O)cn1	189237331	VZIWOSBTRJDQMC-JTQLQIEISA-N	302.334	3.080	10	20	DGCD	
O=C(NCCCSc1nccs1)c1ccc(Cl)cn1	134926211	RGRKKVPXLWHIIE-UHFFFAOYSA-N	313.835	3.104	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)[C@@H](C)CC(C)C)c(OC)c1	131801267	PJUJCHHWHYNANE-AWEZNQCLSA-N	322.449	3.033	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1ncc([N+](=O)[O-])s1	192498972	NACSYJABSOGGLC-UHFFFAOYSA-N	306.391	3.144	10	20	DGCD	
CCOCc1cc(CN[C@@H]2CCCc3cn[nH]c32)ccc1OC	268878669	XEGSVAISUDZUFL-MRXNPFEDSA-N	315.417	3.122	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)[C@H]2CCOC2)cc1	266039744	FWSJTUWDOJIVKJ-WBVHZDCISA-N	312.413	3.249	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)c1cccc(F)c1)c1ccc(F)cc1O	273463327	INHXTKDGCVANLE-DINDLPBHSA-N	307.340	3.443	10	20	DGCD	
COC(C)(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	278591941	UBUHTBWJMHAOLG-UHFFFAOYSA-N	306.450	3.305	10	20	DGCD	
Cc1cccc([C@@H]2CCN(C(=O)c3ccc(C)c(O)c3O)C2)c1	273118827	CEVWJYNFQJCJAW-OAHLLOKOSA-N	311.381	3.344	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2CCCO2)c(C(F)(F)F)c1	280066691	XHHYMUVVHYTAQQ-ZDUSSCGKSA-N	302.340	3.040	10	20	DGCD	
Cc1cccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1O	289456716	NWNQKUOESNTGGI-CYBMUJFWSA-N	310.397	3.436	10	20	DGCD	
CCOc1cccc(CNCc2cc(F)cnc2Cl)c1O	295027408	CVTSRADBIHCSLD-UHFFFAOYSA-N	310.756	3.268	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCCc2cnn(C)c2)c1O	808689790	GGRBWTLAXMYLAZ-GFCCVEGCSA-N	307.825	3.371	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)c2nncn2C)cc1	805361823	JMFVGTFFBAHZKX-AWEZNQCLSA-N	324.384	3.141	10	20	DGCD	
CCc1nc(C)c(CNCc2cc(Cl)cc(OC)c2O)o1	292865247	VSNOTCLCYSNPIP-UHFFFAOYSA-N	310.781	3.203	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(C(=O)N(C)C)cc1	813857694	YOJRJGJLWNDOJN-CQSZACIVSA-N	324.424	3.174	10	20	DGCD	
CC1(C)CN(Cc2c(O)ccc3ccncc23)[C@@H]1[C@H]1CCCO1	811776215	LHYWBKQGNGBFRA-QZTJIDSGSA-N	312.413	3.330	10	20	DGCD	
CCOc1cccc(CN2CCCN2C(=O)OC(C)(C)C)c1O	811502949	OCAIMKXJOPREDM-UHFFFAOYSA-N	322.405	3.149	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H]1CCCNC1)c1cccc(C(F)(F)F)c1O	817948098	VETXXUYJDWRKRF-GRYCIOLGSA-N	316.367	3.450	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)c(C)c2O)c1	729534771	CVQFAVRGBRWEBJ-GFCCVEGCSA-N	315.369	3.214	10	20	DGCD	
OC[C@@H](C1CC1)[C@@H](NCc1c(O)ccc(Cl)c1F)C1CC1	824845088	HNXBHQFEEQAMJC-LRDDRELGSA-N	313.800	3.071	10	20	DGCD	
COC1CCN(c2ccc(CN3CCC(F)(F)C3)cc2)CC1	828731822	YMMKLWTYRSHVGB-UHFFFAOYSA-N	310.388	3.143	10	20	DGCD	
COc1cc(CN(C)CC2(O)CCCC2)c(O)c(C(C)(C)C)c1	824828618	CMWFDIOYDFJLSM-UHFFFAOYSA-N	321.461	3.435	10	20	DGCD	
COc1ccc(O)c(CNC[C@H]2CSc3ccccc32)c1	824483253	KLRSMNUTYLPXDW-ZDUSSCGKSA-N	301.411	3.380	10	20	DGCD	
CC[C@H](N[C@H](c1nncn1C)C(C)C)c1ccc(F)cc1O	903063018	AXTIGQCOPZPVFJ-ZFWWWQNUSA-N	306.385	3.098	10	20	DGCD	
Oc1cccc2c1[C@@H](NCC[C@@H]1COc3ccccc3O1)CC2	834685511	YNXJNBFIANJURI-CABCVRRESA-N	311.381	3.199	10	20	DGCD	
CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC(C)(C)C1	838485946	KQGBZGMFVLYSRZ-UHFFFAOYSA-N	313.445	3.393	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C3=C(C)CCC3)CC2)cc1	746839041	GDBXHSOAFIURCX-UHFFFAOYSA-N	314.429	3.281	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N[C@H](C)c1cccc(OC)c1O	846145060	JXJMEHGQDQNRDK-GDBMZVCRSA-N	315.413	3.309	10	20	DGCD	
C[C@@H](Nc1ccc(N(C)CCO)cn1)c1ccc(Cl)cc1O	841749374	DLRKBVAZNQGZTJ-LLVKDONJSA-N	321.808	3.042	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C2CCC2)C1	840302581	QSRXUOBTXYPCJF-QGZVFWFLSA-N	315.461	3.393	10	20	DGCD	
C[C@@H](Cc1ccccn1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	848567383	TXONUPWHSWAYQK-JTQLQIEISA-N	321.764	3.070	10	20	DGCD	
Cc1cc(N(C)C)ccc1NC(=O)NCCc1ccc(N)cc1	841037999	FGDGLWWZOQVAAD-UHFFFAOYSA-N	312.417	3.007	10	20	DGCD	
CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1	840889849	IUXAXALYSRXJPA-HZPDHXFCSA-N	317.477	3.241	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1	842885326	NCNBUVBGKICEJV-SJORKVTESA-N	317.477	3.193	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCC(C2CC2)C2CC2)cc1F	745786906	PWIUGEDCZHXYEN-UHFFFAOYSA-N	319.424	3.127	10	20	DGCD	
CCn1nccc1/C=C1\SC(=S)N(c2ccccc2)C1=O	753683893	XXPQKWNHSDNAJO-RAXLEYEMSA-N	315.423	3.309	10	20	DGCD	
C[S@](=O)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1	921823031	NTMKBQOFFBMIMG-QFIPXVFZSA-N	315.438	3.039	10	20	DGCD	
CC[C@@H](CCO)CNCc1cc(OC)cc(C(C)(C)C)c1O	850182603	ILPOZZLCUYCTDM-ZDUSSCGKSA-N	309.450	3.197	10	20	DGCD	
Cc1noc(C2CCC(NCc3ccc4c(c3)CCO4)CC2)n1	753373575	MEZBQFMUAHUJID-UHFFFAOYSA-N	313.401	3.129	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1	850559228	YFNNXGSRUWZDKS-CABCVRRESA-N	318.461	3.307	10	20	DGCD	
C[C@H](NCCSCC(F)(F)F)c1cc([N+](=O)[O-])ccc1O	756780913	ZDIAMVPWDFJXGM-QMMMGPOBSA-N	324.324	3.247	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[C@H]1CCOC1	760192115	FYIAHBGKJXYSHF-HUUCEWRRSA-N	320.433	3.129	10	20	DGCD	
CCn1cc(CN(C)Cc2c(O)cccc2Br)cn1	862244941	HYXAKIOXOJHVSB-UHFFFAOYSA-N	324.222	3.003	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)c1	934940664	SVGHHLGYPGCLOM-OGHNNQOOSA-N	321.417	3.029	10	20	DGCD	
CCc1cccc(CN2CCC[C@@](O)(c3ccccc3)C2)c1O	862482652	KNQKZUVBCLDMGZ-FQEVSTJZSA-N	311.425	3.438	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2ccncc2Cl)cc1	862326131	JMCLLECTGUMIEZ-UHFFFAOYSA-N	319.836	3.312	10	20	DGCD	
CCOc1ccc(O)c(CN2CCc3c(F)cccc3C2)c1	769388710	XQRBIZJTCCKTNN-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
OC1CCN(c2ccc(CNCCc3cccs3)cc2)CC1	876892506	QJSDWEPCIXPNTH-UHFFFAOYSA-N	316.470	3.042	10	20	DGCD	
CCOC(=O)N1CCC([C@@H](C)NCc2ccc(C)cc2O)CC1	877432304	UEZXUJXOSXSRTJ-CQSZACIVSA-N	320.433	3.047	10	20	DGCD	
C[C@@](O)(CNCc1ccc(N2CCCC2)cc1)c1cccs1	1116476054	JLQJCBBQICYYHX-GOSISDBHSA-N	316.470	3.346	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C)c2n[nH]c(CC)n2)cc1C	873097223	KJORQRMTRGDYAR-ZDUSSCGKSA-N	302.422	3.315	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@@H](C)C[C@@H](C)O)c1O	779050361	OUNVRXJUIJPOGJ-AXFHLTTASA-N	316.239	3.273	10	20	DGCD	
CC[C@H](NCC(=O)NC1CCCC1)c1cc(Cl)ccc1O	775521571	YTYSSWLCSLWPPX-AWEZNQCLSA-N	310.825	3.145	10	20	DGCD	
C[C@@H](NC(=O)NC[C@H]1Cc2ccccc21)c1ccc(N(C)C)cc1	773614262	SUQRUIGSCUVFQD-RHSMWYFYSA-N	323.440	3.453	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2O)C[C@@H](C)N1C(=O)OC(C)(C)C	779019325	SHOXWYMMJGRBBF-ZIAGYGMSSA-N	320.433	3.222	10	20	DGCD	
C[C@@H](NC(=O)NCC1CCSCC1)c1ccc(N(C)C)cc1	773611713	JONNBSFSDHHOEU-CYBMUJFWSA-N	321.490	3.256	10	20	DGCD	
COc1csc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773016206	TYLMSGLSBBXLTP-NSHDSACASA-N	304.415	3.314	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ncnn1C(C)C	789285125	TXVFMJHHHSCGLY-UHFFFAOYSA-N	315.465	3.336	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2ccc(NC(N)=O)cc2)c(O)c1	788505567	HVQFURCPFSIEEY-CYBMUJFWSA-N	313.401	3.350	10	20	DGCD	
COc1ccc(CNCc2cc(C)cc(OC)c2O)c(F)c1	894330703	QBFAAICFEYBXKZ-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN1Cc1ccccc1)c1cc(F)ccc1O	716181094	XSBMPXXFEYFZSO-PBHICJAKSA-N	314.404	3.456	10	20	DGCD	
COc1ccc(CNC(=O)c2cccc(Cl)c2C)c(O)c1	794390577	LZIPKYKNKRTWCV-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
CCOC(=O)[C@H](C)N(Cc1c(O)ccc(Cl)c1F)C1CC1	792180670	RNBRAQYXJGOWMQ-VIFPVBQESA-N	315.772	3.101	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	793797619	WERCBCWQHICXGB-YUELXQCFSA-N	305.418	3.361	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)NC3(C)CC3)cc2)CC1	1251954683	BRBIAXXNEASHON-UHFFFAOYSA-N	301.434	3.275	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)OC2CCCCC2)c1	1339096032	XFILQBFMDWOOBT-STQMWFEESA-N	321.417	3.316	10	20	DGCD	
Cc1ccc(OCCN[C@@H](C)c2cc(C(=O)O)ccc2O)cc1	1610510923	JUIBBVCDYKBASS-ZDUSSCGKSA-N	315.369	3.128	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCc2cnn(C)c2)cc1	158234396	CCQPHBUDTXKAAI-OAHLLOKOSA-N	300.450	3.160	10	20	DGCD	
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2O)C1(C)C	401529220	PIYJCAFAIDEBDZ-OAHLLOKOSA-N	320.433	3.270	10	20	DGCD	
C[C@@H]1SCC[C@H]1NCc1cccc(Br)c1O	309783728	NNFCAUUVYBYZOY-GZMMTYOYSA-N	302.237	3.138	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCCC12OCCO2	715621056	FHDHULDYNGFUHD-LBPRGKRZSA-N	318.200	3.084	10	20	DGCD	
CCCOc1ccc(CNC[C@@H](C)Cn2ccnc2C)c(O)c1	105442769	SKMGNUOMQXZUPW-CQSZACIVSA-N	317.433	3.112	10	20	DGCD	
Cc1ccc(OCCC(=O)N(C)Cc2ccccc2O)cc1C	119986112	HOQXOESJSPIRQF-UHFFFAOYSA-N	313.397	3.437	10	20	DGCD	
COCCCCNC(=O)c1sccc1-n1c(C)ccc1C	56746603	WDNRASSGRPBCFM-UHFFFAOYSA-N	306.431	3.312	10	20	DGCD	
CC(C)(C)c1cc(C(=O)NCCCSc2nccs2)[nH]n1	114376161	FCJPDLJUTVMPIF-UHFFFAOYSA-N	324.475	3.076	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCCN(C2CCCC2)CC1	179770146	WYXZVWMWWMYTOO-UHFFFAOYSA-N	308.853	3.496	10	20	DGCD	
Cc1ccc([C@H](C)NCCCN(C)CC(F)(F)F)c(O)c1	185027046	OFIXTASAKOLDJF-LBPRGKRZSA-N	304.356	3.235	10	20	DGCD	
C[C@H](NCCC(=O)N1CCCCC1)c1cc(Cl)ccc1O	185061808	SLSKJQIGPAGGEL-LBPRGKRZSA-N	310.825	3.099	10	20	DGCD	
COc1cccc([C@H](O)CN[C@@H](C)c2cc(Cl)ccc2O)c1	185418812	SZHWZGJDWGEYGA-APPDUMDISA-N	321.804	3.438	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2CCCC[C@@H]2C)cc1Cl	121862391	BAFPHPGEFPKXSC-LBPRGKRZSA-N	310.825	3.186	10	20	DGCD	
CN(CCC(F)(F)F)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	315988765	OTRNWYOKJAZGBL-HWKANZROSA-N	318.251	3.081	10	20	DGCD	
COCCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	47465929	UALABOMKOYEZKN-UHFFFAOYSA-N	300.402	3.169	10	20	DGCD	
C[C@H]1CN(c2ccc(CNCc3cc[nH]c3)cc2F)C[C@@H](C)O1	86251274	XCNGSGVAIVFWEP-OKILXGFUSA-N	317.408	3.057	10	20	DGCD	
NC(=O)C[C@@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)C1	93808715	FVUCQXYUUYUYKE-HNNXBMFYSA-N	324.424	3.147	10	20	DGCD	
CCN(CCO)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	98098169	GFTFHSOQIQBBFO-UHFFFAOYSA-N	320.820	3.202	10	20	DGCD	
C[C@@H]1SCCN(Cc2cccc(Br)c2O)[C@H]1C	93501014	MBRMPMYUBIWGCC-UWVGGRQHSA-N	316.264	3.481	10	20	DGCD	
CC[C@H](NC[C@@H](C)CCO)c1cc(Br)ccc1O	97439468	OOKWEVKXIKGQBE-GWCFXTLKSA-N	316.239	3.214	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@H]1O	249351061	WJDCAVFXYFNLSA-RTBURBONSA-N	302.462	3.412	10	20	DGCD	
COc1ccc(O)c(CNCc2ccccc2-c2cnn(C)c2)c1	362233447	FHCQSNHGPFBOCP-UHFFFAOYSA-N	323.396	3.091	10	20	DGCD	
CC[C@@](C)(CNC(=O)NCc1c(C)c2ccccc2n1C)OC	454875400	NJNLXZJIQOATFH-SFHVURJKSA-N	317.433	3.101	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)/C=C/c2cncs2)cc1	281647313	NAPIPSZDTRPSHV-MDZDMXLPSA-N	315.442	3.319	10	20	DGCD	
CC[C@@H](NCc1nncn1C)c1cc(Cl)cc(Cl)c1O	287285987	BTEHWCJTONNGJJ-LLVKDONJSA-N	315.204	3.068	10	20	DGCD	
C[C@H](NC(=O)NC[C@@H]1CCCSC1)c1ccc(N(C)C)cc1	807141358	RTRISJMNAXXUMW-KBPBESRZSA-N	321.490	3.256	10	20	DGCD	
Cc1noc(CCCN[C@@H](C)c2cc(Cl)cc(C)c2O)n1	808705213	BJNDRIVUUYRBGY-JTQLQIEISA-N	309.797	3.329	10	20	DGCD	
CC[C@@H]1CC[C@@H](C)N1Cc1ccc(N2CCN(C)CC2)cc1	809768606	QCIQLRMUEAZOCL-SJLPKXTDSA-N	301.478	3.201	10	20	DGCD	
C[C@@H](NCCc1ccc(N)cc1)c1ccc(N2CCCC2=O)cc1	817956203	SZDRDFKUSRGBQJ-OAHLLOKOSA-N	323.440	3.289	10	20	DGCD	
COc1ccc(CNCc2ccnc(Cl)c2Cl)c(O)c1	811498835	DYKRKMUFWZUOOM-UHFFFAOYSA-N	313.184	3.392	10	20	DGCD	
Cc1ccc([C@H](O)CNCc2ccc3c(c2)CCCN3C)cc1	727644409	DEIVBBQIGBWAEV-HXUWFJFHSA-N	310.441	3.201	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2n[nH]c(C)n2)c1	728703442	USLLECDJAMFJHG-UHFFFAOYSA-N	309.373	3.081	10	20	DGCD	
COc1ccc2c(c1)N(C(=O)c1cc(O)cs1)CCCC2	829999496	HIPFAPCUAANQIP-UHFFFAOYSA-N	303.383	3.445	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1ccco1)CC(F)(F)F	824905871	HFGOKVRBXQLOSZ-UHFFFAOYSA-N	305.277	3.251	10	20	DGCD	
C[C@H](O)C1(NCc2ccc(N(C)Cc3cccs3)cc2)CC1	827586418	XGNNFWFISQZWSC-AWEZNQCLSA-N	316.470	3.388	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	588405478	VPJXWCYSMQCEDD-FDXGEAOUSA-N	313.397	3.052	10	20	DGCD	
CCOc1ccc(N(C)C[C@H](O)COc2ccccc2C)cc1	739923007	AZLWYRQIRYFUGI-KRWDZBQOSA-N	315.413	3.270	10	20	DGCD	
C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1	903447734	BUDQXFCOXAWCEH-BBRMVZONSA-N	318.490	3.163	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ccc(C(=O)O)c(F)c1	832493702	PZBJEFKHKGDVBC-UHFFFAOYSA-N	315.344	3.485	10	20	DGCD	
CCC(C)(C)OCC(=O)NCc1ccc(N2CCCC2)cc1	837341603	KZMHWVIRDFMCHG-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	839682808	IXHQMOVUAFBTRO-RBUKOAKNSA-N	324.424	3.187	10	20	DGCD	
C[C@H]1C[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1	741082523	KXTPFPRMEOEGJV-UONOGXRCSA-N	301.434	3.009	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)CCn1cccn1	840892677	BYEPPPFKAOFBDT-SJORKVTESA-N	314.477	3.257	10	20	DGCD	
COc1cccc(O)c1CNCCC[C@H]1CC1(Cl)Cl	846102293	LMFPNRYCBJOOSO-JTQLQIEISA-N	304.217	3.464	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H]3CO[C@@H](C)C3)c2C)c1	844104404	DKGJDMDBZCHWHW-GOEBONIOSA-N	312.413	3.310	10	20	DGCD	
Nc1ccc(NC(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)cc1	841300593	WTVCAOWKWDYIQZ-IBGZPJMESA-N	323.396	3.270	10	20	DGCD	
COc1cc(N(C)Cc2cc(C)cc(C)n2)cc(OC)c1OC	929707086	IRWMOOVWUHOZFX-UHFFFAOYSA-N	316.401	3.361	10	20	DGCD	
COc1ccc(NC(=N)NCc2ccc(N(C)C)cc2C)cc1	849009376	ZXBHSZYRDCVBCX-UHFFFAOYSA-N	312.417	3.206	10	20	DGCD	
CC(C)=C(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	751362336	SXSOEUBXRVMQOL-OAHLLOKOSA-N	302.418	3.057	10	20	DGCD	
Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@@H](C(F)(F)F)C2)c1	754736843	NWLNAILVGIYEDQ-WCQYABFASA-N	303.324	3.161	10	20	DGCD	
CCC[C@H](CN[C@@H](C)c1cc(C(=O)OC)ccc1O)OCC	858450690	HOISJGDTOXDDGY-GXTWGEPZSA-N	309.406	3.035	10	20	DGCD	
C[C@H](NCC(=O)NCc1ccccc1)c1cc(Cl)ccc1O	756474781	DOEGXRVXNQIIHC-LBPRGKRZSA-N	318.804	3.013	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1	858162196	RTYOMQXJFXYNCM-HZPDHXFCSA-N	314.360	3.195	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1O	853241017	RRVLWYWWCOLOOO-HIFRSBDPSA-N	306.425	3.304	10	20	DGCD	
COc1cc(CN[C@@H](C)CCN(C)C)c(O)c(C(C)(C)C)c1	850097174	SWFHSZNXHDMSIH-ZDUSSCGKSA-N	308.466	3.128	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H](C)[C@H](O)C(F)(F)F)cc1	866465210	PQIQMOAMOVPCGM-MJVIPROJSA-N	304.356	3.105	10	20	DGCD	
CC[C@H]1CCCC[C@H]1OCC(=O)NCc1cc(C)ccc1O	862757296	OGDJOVJCEUAWAT-WMLDXEAASA-N	305.418	3.302	10	20	DGCD	
CN(C)c1cc(F)c(CN2C[C@@H](CO)c3ccccc32)cc1F	862377527	SCARDYAROWGNIF-ZDUSSCGKSA-N	318.367	3.127	10	20	DGCD	
O=C([C@@H]1CCSC1)N(Cc1ccco1)Cc1ccccc1O	762540788	TXSSKJSLUOIGOG-CQSZACIVSA-N	317.410	3.267	10	20	DGCD	
Cc1cccc2cc(C(=O)NCCc3ccc(O)c(O)c3)oc12	762262158	ROSOHLGIESHZKH-UHFFFAOYSA-N	311.337	3.125	10	20	DGCD	
Oc1cc2c(cc1CN1CCCc3c(F)cccc31)OCO2	766351055	LBMCSIUQLMFARU-UHFFFAOYSA-N	301.317	3.213	10	20	DGCD	
CS[C@H]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	877068161	MWZWDUSNWLPKJE-QAPCUYQASA-N	320.502	3.021	10	20	DGCD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NCCc1ccc(N)cc1	876528767	YQYVVPMRDJTXLF-AWEZNQCLSA-N	314.404	3.336	10	20	DGCD	
Cc1ccc(CN2CCC[C@@H](OCC(F)(F)F)C2)c(O)c1	876611798	RYOYCFPVECWLCJ-CYBMUJFWSA-N	303.324	3.244	10	20	DGCD	
CC(C)CCO[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773017651	IBSKEBQBNRUDDP-CABCVRRESA-N	306.450	3.381	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cccc(Cl)c1O	779432187	NLCKCGIOSRQTPV-BLLLJJGKSA-N	311.809	3.257	10	20	DGCD	
COc1ccc(N(C)Cc2c(C)nc3sc(C)nn23)cc1F	780779510	INUXMARPZRFQMS-UHFFFAOYSA-N	320.393	3.192	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1O	788593224	GXPKGCVVBJZZEY-WDEREUQCSA-N	314.351	3.298	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1	890030494	FJQPYXCJIZUGIB-GDBMZVCRSA-N	316.445	3.279	10	20	DGCD	
Cc1cccc([C@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)c1	784025762	OQBLPBOYBUKHAP-HNNXBMFYSA-N	311.381	3.419	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2Cc3ccc(F)cc32)c1	793690003	RNOHJEXRLQQBLE-HWPZZCPQSA-N	315.344	3.057	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(C)c(F)c(C)c2)c(O)c1	794372592	BCWXFGYCVQHCKG-UHFFFAOYSA-N	303.333	3.087	10	20	DGCD	
C[C@@H]1CCC[C@H]1CNC(=O)NCCCSc1nccs1	798437518	JPLPTNBBEDUNRK-NEPJUHHUSA-N	313.492	3.361	10	20	DGCD	
Cc1ccnc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	792278362	YPLJTOOCEOWVID-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
COc1cc(CN(C)c2ccc(OC)c(OC)c2)ccc1F	1329103829	BKOAZYKVELAPNB-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
c1cc2c[nH]nc2cc1CCNCc1ccc(N2CCCC2)cc1	1345277690	YCAMWABZDUMAKC-UHFFFAOYSA-N	320.440	3.495	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCC(F)F	1348383627	YFNMRRGAHGMFHZ-UHFFFAOYSA-N	300.349	3.359	10	20	DGCD	
COC(=O)[C@@H]1CCCCCN1Cc1ccc(N2CCCC2)cc1	1342076104	AMLLHZLTTDVGSP-SFHVURJKSA-N	316.445	3.204	10	20	DGCD	
C[C@@H](NCCCOc1ccccc1)c1cc(C(=O)O)ccc1O	1609779756	NRTNTQZMMDOVND-CYBMUJFWSA-N	315.369	3.210	10	20	DGCD	
C[C@@H](NCc1cccc(Cl)c1O)c1ncc(C(=O)O)s1	1604346567	KJDUSMHZWMFZEL-SSDOTTSWSA-N	312.778	3.051	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H]2Cc3ccccc3CN2)c(Cl)c1	1579638010	NKPUWATYCDSLGA-HNNXBMFYSA-N	316.832	3.158	10	20	DGCD	
CN(Cc1ccc(C2(C(=O)O)CC2)cc1)Cc1ccccc1O	1598517955	NWOZAJMEMFUAJU-UHFFFAOYSA-N	311.381	3.140	10	20	DGCD	
C[C@H]1CCCCN1CCCN[C@H](C)c1cc(C(=O)O)ccc1O	1593267699	RAPALNWJVLTPSJ-UONOGXRCSA-N	320.433	3.006	10	20	DGCD	
CN(C)c1ccc(OC[C@H]2CCC3(CCCC3)O2)cc1C(=O)O	1598327990	ABCOXIQBPLYYRH-CQSZACIVSA-N	319.401	3.321	10	20	DGCD	
CC1(C)CCC[C@@]1(NCc1ccc2c(c1)CCCO2)C(=O)O	1776552188	KYSPAHQXYVWPDV-GOSISDBHSA-N	303.402	3.135	10	20	DGCD	
CN1CC[C@]2(CCN(Cc3cc(Cl)cc(Cl)c3O)C2)C1	292881515	XRIMDZSVWBQXDN-HNNXBMFYSA-N	315.244	3.227	10	20	DGCD	
C[C@H](C(=O)NCCC1=CCCCC1)N(C)Cc1ccccc1O	109773520	LIGRWXGZVMOQQM-OAHLLOKOSA-N	316.445	3.219	10	20	DGCD	
Oc1ccc2c(c1CNc1ccc3nccnc3n1)CCCC2	301467609	QQMPRFQBLWVQOA-UHFFFAOYSA-N	306.369	3.221	10	20	DGCD	
Cc1cc(NC(=O)c2ccc(C)c(O)c2O)c(C)c(C)c1O	185691047	XNQGBTGFIJGBBH-UHFFFAOYSA-N	301.342	3.289	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)c1ccc(F)cc1)c1cc(F)ccc1O	185469109	MMCDUNGKCRKZNA-RVPKQNPDSA-N	307.340	3.443	10	20	DGCD	
Cc1ccc2nc(NC(=O)c3cccc(O)c3O)sc2c1	126203846	KJQGIGZQRSXHTI-UHFFFAOYSA-N	300.339	3.268	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(-c2ccoc2)c1	122932247	FSJJXUCKSYHYKN-UHFFFAOYSA-N	323.348	3.330	10	20	DGCD	
CC[C@@H](C(=O)NCc1cccc(OC)c1O)c1ccc(F)cc1	127506648	SMXFWSXPZGGGCF-OAHLLOKOSA-N	317.360	3.350	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1	185442285	CQFMXTSAMCDACV-ZIAGYGMSSA-N	320.433	3.361	10	20	DGCD	
Oc1cc2c(cc1CN[C@@H]1C[C@H]3C[C@H]1[C@@H]1CCC[C@H]31)OCO2	315025925	WEPRUDIQYCYLLD-DVLUHMITSA-N	301.386	3.035	10	20	DGCD	
Cc1c(CN[C@@H]2CCC[C@H]2[C@H]2CCCN2)n(C)c2ccccc12	423085842	LOUACBYTVMNRKL-RCCFBDPRSA-N	311.473	3.497	10	20	DGCD	
CCc1nnc(NCCCSc2nccs2)nc1CC	192109676	HDQIGGNTMFXVRQ-UHFFFAOYSA-N	309.464	3.047	10	20	DGCD	
Cc1c(CN=c2cc[nH]c3ccncc23)n(C)c2ccccc12	359852872	ZOZAVAPHHXUJGK-UHFFFAOYSA-N	302.381	3.464	10	20	DGCD	
C[C@@H](NCCOCC1CC1)c1cc(Br)ccc1O	273569649	KKYIQJRUOCATFG-SNVBAGLBSA-N	314.223	3.232	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(C(=O)OC(C)(C)C)CC2)c1	271150116	KBVWQWUMSCEAQA-UHFFFAOYSA-N	305.418	3.254	10	20	DGCD	
C[C@@H](NC[C@H]1CCCCO1)c1ccc(Br)cc1O	273429336	VFVOQBJKTAEHBN-ZYHUDNBSSA-N	314.223	3.374	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)c1cccc(F)c1)c1ccc(F)cc1O	273463334	INHXTKDGCVANLE-RVPKQNPDSA-N	307.340	3.443	10	20	DGCD	
COc1cccc(CNCc2c[nH]nc2-c2ccc(C)cc2)c1O	377634637	YAOZRSDGIQFYHL-UHFFFAOYSA-N	323.396	3.389	10	20	DGCD	
COCCN(Cc1cccnc1)Cc1cccc(Cl)c1O	289416011	INARMWFTTVPXEJ-UHFFFAOYSA-N	306.793	3.089	10	20	DGCD	
CCOC1CC(O)(CN[C@H](CC)c2cccc(Cl)c2O)C1	286870081	BRVNYYGIOWEZEJ-OFWKBQFLSA-N	313.825	3.016	10	20	DGCD	
COc1ncc(CN[C@H](C)c2cc(F)ccc2O)cc1Cl	296278942	DYEIYGKYWLCRJF-SECBINFHSA-N	310.756	3.439	10	20	DGCD	
Oc1ccccc1CN(CCc1ccccn1)Cc1ccncc1	809762458	OTOVCWDIZWLJKI-UHFFFAOYSA-N	319.408	3.427	10	20	DGCD	
C[C@]12CCN(C(=O)c3cc(O)cs3)C[C@H]1C2(Cl)Cl	807524412	TWJSBOUYGUHCHF-KOLCDFICSA-N	306.214	3.110	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CCN(CC3CC3)C2)c1O	808694054	ZGSYAGLNRKKFDK-SWLSCSKDSA-N	308.853	3.489	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCCn1ccnc1	801544785	APVOIOUDZGTENA-UHFFFAOYSA-N	315.417	3.198	10	20	DGCD	
COCCOC[C@H](C)N[C@H](C)c1cc(Cl)cc(C)c1O	808706192	FBTFCXRAGGLLBK-NWDGAFQWSA-N	301.814	3.056	10	20	DGCD	
COc1cc2c(cc1N[C@H]1CCc3cccc(O)c31)NC(=O)CC2	296247045	BAYVPBHAYSVGKJ-ZDUSSCGKSA-N	324.380	3.385	10	20	DGCD	
CCOc1cccc(CNCC[C@H]2C[C@H](C)O[C@H](C)C2)c1O	801732826	YMWYVHYSPCQQFS-QDMKHBRRSA-N	307.434	3.474	10	20	DGCD	
C[C@H](Nc1ccc(Cl)nn1)c1ccc(N2CCOCC2)cc1	819912849	XPXBFQQUKJRLSC-LBPRGKRZSA-N	318.808	3.140	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CCCCCC(=O)C1)c1ccc(N(C)C)cc1	813524611	DTHPTQUEUPWJCZ-GOEBONIOSA-N	316.445	3.469	10	20	DGCD	
Cc1cccc(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c1O	814176831	VVXMVWURBJTHFM-GFCCVEGCSA-N	303.324	3.242	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2C[C@H]3C=C[C@H]2CC3)c1O	817409417	BJMAPIDENWUYDJ-SGMGOOAPSA-N	318.373	3.001	10	20	DGCD	
CC(=C/c1ccccc1)/C=C1/C(=O)NN(c2ccccc2)C1=O	728696737	BPZSSABPRQNAQV-PNKQLNASSA-N	304.349	3.094	10	20	DGCD	
Cc1cc(CN[C@@H](CCO)C2CC2)ccc1N1CCCCC1	828829185	QYRGRZUXAYOJHX-SFHVURJKSA-N	302.462	3.236	10	20	DGCD	
Cc1noc(Cl)c1CCC(=O)N[C@H](C)c1ccccc1O	827930139	CNZQPCIOCITRKZ-SECBINFHSA-N	308.765	3.152	10	20	DGCD	
CCc1ccc(NC(=S)NCc2cc(N(C)C)ccn2)cc1	905617562	PUGYGWWYBCHYBP-UHFFFAOYSA-N	314.458	3.197	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C)OC3(CCCC3)C2)c1O	830843579	JSGVWMHEUYETNF-GFCCVEGCSA-N	321.392	3.267	10	20	DGCD	
C[C@]1(c2nc(Cc3ccc(N)cc3)no2)CCOc2ccccc21	904503765	JWWGSNFLAMWKIC-IBGZPJMESA-N	321.380	3.331	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1	845832301	BXLCUKKSQKQZMW-NFFDBFGFSA-N	301.386	3.180	10	20	DGCD	
CC1CCN(c2ccc(CNC(=N)NC3CCCC3)cc2)CC1	849006487	LARJCVIETISZBI-UHFFFAOYSA-N	314.477	3.479	10	20	DGCD	
O=C(c1cncs1)N(Cc1ccco1)Cc1ccccc1O	743429010	WDFDDADFSMPLGY-UHFFFAOYSA-N	314.366	3.284	10	20	DGCD	
Cc1cc(CN[C@@H](C)[C@H](C)C(=O)O)ccc1N1CCCCC1	846228777	OTQDKNNAUDQAGD-GJZGRUSLSA-N	304.434	3.184	10	20	DGCD	
Cc1cc(CNC[C@H](N)c2ccc(N(C)C)cc2)c(C)s1	841044917	FYBDQAIPSWXVDM-KRWDZBQOSA-N	303.475	3.221	10	20	DGCD	
C[C@H](N[C@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1O	756711859	MUBOJBPTUODVBV-BJOHPYRUSA-N	311.303	3.194	10	20	DGCD	
CC(C)[C@H]1OCCC[C@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756736365	MZBOTCYMNMUVDP-GDZNZVCISA-N	322.405	3.402	10	20	DGCD	
CC1(C)OC[C@H](CN(Cc2ccco2)Cc2ccccc2O)O1	851841380	PZQRCBLGCLBNCI-INIZCTEOSA-N	317.385	3.139	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCCn2nccc21	850474321	MAPBDKFONLYOIF-YJBOKZPZSA-N	312.461	3.313	10	20	DGCD	
COCC1(N[C@@H](C)c2cc(Br)cc(F)c2O)CC1	756849487	BGHSZRVTYJWJDN-QMMMGPOBSA-N	318.186	3.123	10	20	DGCD	
CC(=O)N1CC[C@H](NCc2ccc3c(c2)CCO3)c2ccccc21	756996054	DIZZLPCNODDKBL-SFHVURJKSA-N	322.408	3.209	10	20	DGCD	
CN(C)C(=O)c1cccc(CNCc2ccc3c(c2)CCCO3)c1	921513976	NZJPNXJKFQVWRL-UHFFFAOYSA-N	324.424	3.003	10	20	DGCD	
COc1cc(CNCCOC(F)(F)F)c(O)c(C(C)(C)C)c1	850271561	CLUVLPCFMDGQBF-UHFFFAOYSA-N	321.339	3.324	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	858199935	UWVGSGISPNPMIB-VAMGGRTRSA-N	320.436	3.297	10	20	DGCD	
COc1cccc(O)c1CNCc1ccccc1-c1cnn(C)c1	758553769	KGHWHWCNRDRTMW-UHFFFAOYSA-N	323.396	3.091	10	20	DGCD	
O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(O)cs1	753849829	GDMDGWSHTFEGSK-SWLSCSKDSA-N	317.410	3.351	10	20	DGCD	
CN1CCCC[C@H](CNCc2cc(Cl)cc(F)c2O)C1	862483040	NWPRVKASDNXRRB-LLVKDONJSA-N	300.805	3.006	10	20	DGCD	
CC(=O)CCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863162493	LZGZHYUSSIXIJM-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
CN(C)c1ccc(CN2CCOC3(CCCCC3)C2)cc1F	769493531	VCKUYNHGNADVNQ-UHFFFAOYSA-N	306.425	3.427	10	20	DGCD	
CCC(CC)(CN[C@H](C)c1ccc(N(C)C)cc1)C(=O)OC	760881334	HKJQWDVDFSQSGK-CQSZACIVSA-N	306.450	3.383	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)C[C@@H]1COc2ccccc2O1	768181631	SJVNSOBTEKXXGN-GFCCVEGCSA-N	319.788	3.317	10	20	DGCD	
CC(C)CN(Cc1cc2c(cc1O)OC[C@H]2O)C1CCCC1	768439828	KXNJRGHLFQNXLE-QGZVFWFLSA-N	305.418	3.219	10	20	DGCD	
CCCOc1ccc(CN[C@@H](c2nncn2C)C(C)C)cc1C	873126605	UZUPFVVGWDRWAM-QGZVFWFLSA-N	316.449	3.399	10	20	DGCD	
COC(=O)[C@H](c1ccccc1)N(C)Cc1cccc(Cl)c1O	775696844	PQGNGWJLMXCODC-HNNXBMFYSA-N	319.788	3.392	10	20	DGCD	
C[C@@]1(CNC(=O)c2cc(O)cs2)CCCc2ccccc21	775619517	YEDORGLXGBBTPM-KRWDZBQOSA-N	301.411	3.478	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@H](C)C[C@@H](C)O)c1O	779050364	OUNVRXJUIJPOGJ-MXWKQRLJSA-N	316.239	3.273	10	20	DGCD	
CC[C@@H](C)CNCc1ccc(N2CCN(CC)CC2)c(F)c1	771828742	BPVPLFGAPMYBAV-OAHLLOKOSA-N	307.457	3.103	10	20	DGCD	
C[C@@H](C1CC1)N(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1	775654278	WLEAJMYQLXQAIW-INIZCTEOSA-N	313.489	3.201	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2ccc(OC)c(F)c2)c1	775644314	GWCXDCDTYFYSMI-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]2CCCC[C@H]12	782252163	VHVFVTJFGQMIHY-ZTFGCOKTSA-N	315.461	3.473	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1CCN(C)c2cc(F)ccc21	784057183	ZCOWXXUEEMSZCL-UTCJRWHESA-N	311.360	3.025	10	20	DGCD	
COc1ccc(N(C)Cc2cc3c(cc2O)OCO3)cc1Cl	780779550	LJLMCBWGCNGXKF-UHFFFAOYSA-N	321.760	3.419	10	20	DGCD	
c1cc(NCc2ccc(N3CCOCC3)cc2)c2c(c1)OCC2	793327016	ZGQGAZVNOJTXPZ-UHFFFAOYSA-N	310.397	3.070	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2O)CCN1C	90721728	XBZUWVIBGDOXFQ-BXKDBHETSA-N	303.233	3.271	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC[C@H]2CNC[C@H]2C1	1329036527	MXPBULWWQCUDOJ-JKJDWNRSSA-N	300.446	3.227	10	20	DGCD	
CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCc2ccccc2C1	1336702799	FPQQLMBXJRFQKZ-IBGZPJMESA-N	323.440	3.010	10	20	DGCD	
Nc1ccc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1	1334774177	FVKOYOPDDUGUDW-IBGZPJMESA-N	314.404	3.354	10	20	DGCD	
O=C(O)c1cnc(SC[C@H]2CC[C@@H](C(F)(F)F)O2)s1	1602537420	SUUHLUADDSUIDV-VDTYLAMSSA-N	313.322	3.043	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@@H](C(C)(C)C)C1)c1cc(C(=O)O)ccc1O	1593230044	BFEUYJSZAGBQHV-DETPVDSQSA-N	321.417	3.335	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc(-n3cccc3)c2)cc1	15135197	VGOBOXNNPNVHPU-UHFFFAOYSA-N	319.408	3.473	10	20	DGCD	
CC[C@H](NCCCCN1C[C@H](C)O[C@H](C)C1)c1ccccc1O	155411962	NFJQXTGOQOCQQT-JZXOWHBKSA-N	320.477	3.322	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc3c(c2)CCCC3)c1O	105652288	SWOZMGORXUIVCZ-UHFFFAOYSA-N	311.381	3.210	10	20	DGCD	
COc1cccc(CNC(=O)[C@H]2CCCc3ccccc32)c1O	68489238	OCVXTSAQEYUFIQ-INIZCTEOSA-N	311.381	3.137	10	20	DGCD	
CCOc1ccc(NCc2cccc(OC)c2O)cc1OC	122009932	PDGLCNNLSSBYAN-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
Cc1nc(NC(=O)NCc2c(O)ccc3c2CCCC3)oc1C	75504069	GUIQJQKTLRTWAA-UHFFFAOYSA-N	315.373	3.198	10	20	DGCD	
C[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccccc1O	183613142	YAPIDBDMKVXHEM-JKIFEVAISA-N	310.397	3.237	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)N(C)CC3)cc1	180271384	DORQCBPSWJIXNR-UHFFFAOYSA-N	324.428	3.067	10	20	DGCD	
Oc1cc2c(cc1CN[C@@H]1C[C@H]3C[C@H]1[C@H]1CCC[C@H]13)OCO2	315025929	WEPRUDIQYCYLLD-QPGZIWCOSA-N	301.386	3.035	10	20	DGCD	
C[C@H](NCc1ccc(OCCN(C)C)cc1)c1ccccc1O	183428116	XJEJRAHCZRJRKO-HNNXBMFYSA-N	314.429	3.183	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCCNC(=O)c2occc2C)c1	186068121	GHFIILFFWYABGT-CQSZACIVSA-N	316.401	3.073	10	20	DGCD	
CCOc1cccc(CNCc2cccc(COC)c2)c1O	77289173	DWBISNLNOZESKH-UHFFFAOYSA-N	301.386	3.227	10	20	DGCD	
CC[C@H](OC1CCCCC1)C(=O)NCc1cc(OC)ccc1O	133459030	LNOHUHMNQKGCEE-KRWDZBQOSA-N	321.417	3.145	10	20	DGCD	
COCc1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)o1	130327762	QMTGJPNZRRTJAL-NTEUORMPSA-N	320.414	3.319	10	20	DGCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@H]1CCCc2c1cnn2C	191431344	JOHVIQRGSGBLSP-ZDUSSCGKSA-N	323.799	3.428	10	20	DGCD	
CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C	93507965	IXYAUFMXSOWPLR-UHFFFAOYSA-N	306.425	3.283	10	20	DGCD	
COc1cccc(CN(C)CCOCc2ccccc2)c1O	91937067	OJUCOJUGUYIVBE-UHFFFAOYSA-N	301.386	3.049	10	20	DGCD	
Nc1ccc(CC(=O)NCCCSc2ccccc2)cc1	238112216	RGPCFFNGPVWWPA-UHFFFAOYSA-N	300.427	3.110	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCNC(=O)C2CCC2)cc1	90185611	UWEWMIVUBAQCNN-HNNXBMFYSA-N	317.477	3.100	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2c3ccccc3C[C@@H]2O)cc1	269086279	PMZQNXPOMUJZMW-GKCIPKSASA-N	310.441	3.452	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c(O)c1O	272718757	DYHZHOLNOBHKHE-GFCCVEGCSA-N	315.344	3.175	10	20	DGCD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(O)c(O)c1	272278837	FJFSFWRADPHGRY-IFIJOSMWSA-N	321.417	3.088	10	20	DGCD	
CCCN(Cc1cc(OC)ccc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	271881335	VCMIBZOWTZOLPB-CGTJXYLNSA-N	319.445	3.426	10	20	DGCD	
CCOC(CCN[C@H](C)c1ccc(F)c(F)c1O)OCC	276109686	AMJDSLQOAAAFNW-SNVBAGLBSA-N	303.349	3.110	10	20	DGCD	
CC(C)CO[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O	807839839	RUGBLVLYUGMBSZ-SECBINFHSA-N	320.216	3.376	10	20	DGCD	
C[C@H](c1ccc(F)cc1O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1	296587635	UTSHJXTWWGWKMO-OLZOCXBDSA-N	322.424	3.206	10	20	DGCD	
CN(C)Cc1ccc(CN(C)Cc2cc(F)ccc2O)cc1	809738795	KBRGOOGUDNDLFC-UHFFFAOYSA-N	302.393	3.225	10	20	DGCD	
CC[C@H](NCC[C@@H](O)COC)c1cc(Cl)cc(Cl)c1O	806149758	HHJGOHGNMCLDGM-MFKMUULPSA-N	322.232	3.137	10	20	DGCD	
COc1cccc(CN2C[C@@H]3CCCN3Cc3ccccc32)c1O	811508173	DKHSBUOVDYKPMT-KRWDZBQOSA-N	324.424	3.385	10	20	DGCD	
Cc1cc(O)c(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1C	810165434	RYGBXNXYHQYKGH-UYAOXDASSA-N	311.425	3.265	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)[C@]3(C)CCCO3)C2)cc1	818343180	ZBKAGAATRISUCD-FCEWJHQRSA-N	318.461	3.069	10	20	DGCD	
CN(C)[C@@]1(CNCc2ccc3ccccc3c2O)CCSC1	816555502	HMRWGDULZAMUJC-GOSISDBHSA-N	316.470	3.072	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](CCCO)C2)cc1F	825337698	IJFWDWOLJKCRPZ-OAHLLOKOSA-N	308.441	3.266	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2CCOC3(CCC3)C2)cc1F	824750251	FWQFBFJSUULGSI-HNNXBMFYSA-N	306.425	3.331	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N(C)c2cnc3ccccc3n2)s1	493803524	OYXUXNZVEMSGAV-FPLPWBNLSA-N	310.382	3.071	10	20	DGCD	
O=C(O)[C@H](CNCc1cc(F)cc(F)c1O)CC1CCCC1	900084445	QFLRLGPQXXZFJS-LBPRGKRZSA-N	313.344	3.041	10	20	DGCD	
Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc(O)cc1O	822971716	IHMAIXPNUQVRPX-UHFFFAOYSA-N	303.358	3.227	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2Cc3ccccc3[C@H]2O)c2c(O)ccc(F)c21	903441152	YGNKJFQXSIWOHS-FFONGLNXSA-N	313.372	3.328	10	20	DGCD	
C[C@H]1C[C@@H](N[C@@H]2Cc3ccccc3[C@H]2N)c2c(O)ccc(F)c21	902437012	GHLKTPQPWANSFV-MIBCPZNCSA-N	312.388	3.294	10	20	DGCD	
C[C@@H](NC(=O)Nc1cccnc1F)c1ccc(N(C)C)cc1	832064572	RLEUWBSQPDUJHY-LLVKDONJSA-N	302.353	3.169	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(O)c(Cl)c1	588412926	MHDQZQWXUARVHG-KXFIGUGUSA-N	305.717	3.109	10	20	DGCD	
CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N)cc2)c1C(C)C	837303196	YGCZVNLTKWHOGG-UHFFFAOYSA-N	313.401	3.161	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ccc(CC)cn1	830141233	PEGGFKZHAAFYBD-UHFFFAOYSA-N	312.413	3.331	10	20	DGCD	
CCn1ccc(CC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)n1	845607260	ZUKHQNXICFGEHK-UHFFFAOYSA-N	311.385	3.160	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC1CC2(CCC2)C1	845723597	HGCZHVFUYWTIJR-UHFFFAOYSA-N	314.429	3.403	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)[C@@H](O)c1ccc(F)cc1	840934761	XCGBHNBXCRDVMF-AUUYWEPGSA-N	316.420	3.412	10	20	DGCD	
COc1cccc([C@H](C)Nc2ccc(CNC(C)=O)cc2)c1O	846164055	UOSMTQKUHCBPNI-LBPRGKRZSA-N	314.385	3.210	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)c1ccc(F)cc1	840928187	LWYMIJZPIXALQK-SFHVURJKSA-N	302.393	3.023	10	20	DGCD	
CCc1cccc(CNc2cccc(N3CCOCC3)c2)c1O	848891858	CETCFGSROOXKMO-UHFFFAOYSA-N	312.413	3.403	10	20	DGCD	
CC(C)[C@@H](NC(=O)Nc1ccc(N)cc1)c1nc(C2CC2)no1	841301170	DPRBJLVEMAFZCQ-CYBMUJFWSA-N	315.377	3.048	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC[C@@H]2C[C@H]2c2ccccc2)cc1	841044425	WPMKKFQICLDUQG-IHPCNDPISA-N	309.457	3.146	10	20	DGCD	
COc1ccc(N(Cc2ccc(C(N)=O)cc2)CC(C)C)cc1	746170877	XQDUKLFCXAAAQX-UHFFFAOYSA-N	312.413	3.457	10	20	DGCD	
COC(=O)[C@H](C)c1cccc(NCc2c(O)cccc2OC)c1	840958963	WXJVSXZTDPCWOE-GFCCVEGCSA-N	315.369	3.289	10	20	DGCD	
CC(C)CCc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)n[nH]1	855105254	NETVGYQSBAENMF-YVMONPNESA-N	315.373	3.061	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(O)c1	850501069	JPOJFMUOBOFHGD-WPLACJGDSA-N	309.475	3.349	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(OC)CCCCCC2)c1	934941370	WXYWEZHHFVCHEZ-ZDUSSCGKSA-N	321.417	3.317	10	20	DGCD	
CCC[C@H](C)[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768464127	ZYSOYWKFQHXDMQ-XGWLTEMNSA-N	305.418	3.219	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC2(CC1)OCc1ccccc12	760151968	KSEKWVQJQNIBQC-UHFFFAOYSA-N	315.394	3.115	10	20	DGCD	
CCOC(=O)CCN(Cc1cc(Cl)ccc1O)CC1CC1	769122535	PNXJSSQCZCWXMH-UHFFFAOYSA-N	311.809	3.211	10	20	DGCD	
CCc1cc(NCc2cccc(Br)c2O)ncn1	764933104	CBXXKUJWTVZSJU-UHFFFAOYSA-N	308.179	3.119	10	20	DGCD	
CCCOc1ccc(CN[C@H](C)CO[C@@H]2CCOC2)cc1C	873074266	KSICRADSPSCWDT-NVXWUHKLSA-N	307.434	3.067	10	20	DGCD	
O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cccc(O)c1O	776350096	IFZZLTBJQXBZRZ-ZDUSSCGKSA-N	311.259	3.131	10	20	DGCD	
CC[C@@H](NC[C@@H]1COCCO1)c1ccc(Cl)c(Cl)c1O	775490325	BYHFOBCDKFICFZ-BXKDBHETSA-N	320.216	3.155	10	20	DGCD	
O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cc(O)cs1	771392827	AXCGTSLZMFZWBF-UHFFFAOYSA-N	305.374	3.346	10	20	DGCD	
COc1ccc(CN[C@@H]2CCCC[C@H]2SC)c(O)c1OC	895141801	MBEDAVDARWRFAK-TZMCWYRMSA-N	311.447	3.173	10	20	DGCD	
C[C@@H](NCc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C1	272183375	KNSVTZPQIHCRBO-APWZRJJASA-N	310.441	3.392	10	20	DGCD	
CC[C@H](CCO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796311478	GVVASGXJKFICHJ-HXUWFJFHSA-N	324.468	3.500	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1	799864680	UMQOLKYIZLSOSG-RLFYNMQTSA-N	318.461	3.305	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1	794793954	CUMZSVCPGHEDTO-GOSISDBHSA-N	312.461	3.434	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N(C)C1CCCCC1	797725352	SVFLSBZCOGYYSB-UHFFFAOYSA-N	316.445	3.239	10	20	DGCD	
C[C@H](O)CC(C)(C)CNCc1ccc(Br)cc1O	691392708	QSZJXFGRSYFCSZ-JTQLQIEISA-N	316.239	3.041	10	20	DGCD	
CCN1C[C@H](C)N(Cc2ccc(N3CCCC3)cc2)C[C@@H]1C	1319713253	VLSSJPSWGVDVJA-IRXDYDNUSA-N	301.478	3.201	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccc(N)cc1)c1ccccc1OC	1346634195	SWXDESYAOBRTJP-MRXNPFEDSA-N	313.401	3.228	10	20	DGCD	
C[C@H](N[C@@H](CO)CC1CCCCC1)c1cc(C(=O)O)ccc1O	1609778744	XOVKTELEQVZKEF-SWLSCSKDSA-N	321.417	3.072	10	20	DGCD	
Cc1cc(O)c(CNc2nc3cccc(C(=O)O)c3[nH]2)cc1C	1607700112	SWVKZPRSANMXEY-UHFFFAOYSA-N	311.341	3.196	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2[C@H]3CCCN[C@@H]3C2(C)C)cc1Cl	1579637976	LIPXYWIRYSDGOU-VBNZEHGJSA-N	308.853	3.220	10	20	DGCD	
CCN(C)c1ccc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1	1596194437	MCMWUCYSFKEIRC-SZMVWBNQSA-N	316.445	3.360	10	20	DGCD	
CO[C@H]1CCN(Cc2ccc(Br)cc2O)C[C@H]1C	826062205	NBSVXSYEXWBLAF-YGRLFVJLSA-N	314.223	3.012	10	20	DGCD	
Nc1ccc(NC(=O)COc2ccccc2Br)cc1	19475294	BJKIZMWEOWFUSZ-UHFFFAOYSA-N	321.174	3.049	10	20	DGCD	
CC(C)COCCCNCc1c(O)cccc1Br	706829159	NJZNBUSPELVWEK-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
COc1ccc(NC(=O)[C@@H](C)Sc2nccs2)c(OC)c1	52914344	QWQCDYPSCQMJNF-SECBINFHSA-N	324.427	3.280	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccc(Cl)c2)c1	103528479	DWIYMRRHKVACNW-LLVKDONJSA-N	319.788	3.474	10	20	DGCD	
COc1ccc(CN(C)Cc2cccc(C)c2O)c(OC)c1	179568300	SBQQHIBVZNJDDW-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCOCC(F)(F)F	111637276	NTTVRAKXCADQSR-QWRGUYRKSA-N	303.324	3.417	10	20	DGCD	
Cc1cccc(OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	60678712	HGIIVZZUWVOTLB-UHFFFAOYSA-N	312.413	3.098	10	20	DGCD	
Cc1cc([N+](=O)[O-])cnc1NCc1ccc2c(c1)CCCN2C	301209231	VKTMMSIHOZKPIE-UHFFFAOYSA-N	312.373	3.293	10	20	DGCD	
COCCOc1ccc(CN[C@H](C)c2ccccc2O)cc1	183415783	ORYFOEPBMRIFFL-CQSZACIVSA-N	301.386	3.268	10	20	DGCD	
COCCCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	47020032	FOSRYTOYIJFKTJ-UHFFFAOYSA-N	318.392	3.390	10	20	DGCD	
C[C@H](NC[C@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1O	191183591	ACXLZIHDMWEBJO-GXFFZTMASA-N	310.344	3.217	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)NCC1CC=CC1	528148666	XEPWKDOORLNWAE-UHFFFAOYSA-N	300.402	3.036	10	20	DGCD	
COC[C@H](CCO)N[C@H](C)c1ccc(N2CCCCCC2)cc1	269011027	MSUJEINPFGLYLH-AEFFLSMTSA-N	320.477	3.115	10	20	DGCD	
Cn1ccnc1[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	377891012	ZTDZMPWYAPZYIL-SFHVURJKSA-N	324.472	3.400	10	20	DGCD	
Cn1ccnc1[C@@H]1N(Cc2cccc(Cl)c2O)CC1(C)C	294826694	PLTRKOQRHCSZBM-AWEZNQCLSA-N	305.809	3.362	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(COC)on2)cc1F	298561899	WAZZFFJIKJFFSH-UHFFFAOYSA-N	321.396	3.096	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC(F)(F)[C@H](C)C2)c1O	290012013	ZVAKTKPNHDAKNL-SECBINFHSA-N	301.308	3.211	10	20	DGCD	
C[C@@H](CCCCO)N[C@@H](C)c1ccc(Br)cc1O	296560269	SFDGIULWMJIURP-QWRGUYRKSA-N	316.239	3.356	10	20	DGCD	
C[C@H]1[C@@H](N2CCCC2)CCN1Cc1c(O)ccc(Cl)c1F	809724114	DYZXHTPPQUKPCV-FZMZJTMJSA-N	312.816	3.243	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1cc(Cl)cc(C)c1O	808714002	LHXRQHLHHWJTNS-TUKIKUTGSA-N	313.825	3.199	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(c2ccccc2)CC1	808095343	YIUHWLKEYNXZLU-UHFFFAOYSA-N	316.397	3.226	10	20	DGCD	
CC(C)CC[C@H](O)CNCc1ccc(N2CCSCC2)cc1	818964147	MHCXGTRVKSBPEH-SFHVURJKSA-N	322.518	3.127	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CCNC3(CCC3)C2)cc1	817987410	YTVRVDFYVKRYJK-NVXWUHKLSA-N	301.478	3.468	10	20	DGCD	
COC(=O)C1(CNCc2cc(Cl)c(F)cc2O)CCCC1	816567523	DBVFNBSDJGNTFW-UHFFFAOYSA-N	315.772	3.008	10	20	DGCD	
C[C@H]1CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CC1	819169260	YWKBTJDGOMKFSU-ZFWWWQNUSA-N	316.401	3.125	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(F)c[nH]2)cc1	814824579	BXHNIGONIUVBPU-UHFFFAOYSA-N	303.381	3.272	10	20	DGCD	
Cc1ccc(CO[C@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1	827957602	WEXBLLAXRXNODU-HUUCEWRRSA-N	313.397	3.483	10	20	DGCD	
CCN(CC)c1ccc(CN(CCC(=O)O)CC2CC2)cc1	901612896	KCHOMQYJKNEEQB-UHFFFAOYSA-N	304.434	3.220	10	20	DGCD	
C/C(=C/CN(Cc1ccco1)Cc1ccccc1O)C(=O)O	825730389	WAZNZLLMKSOEDA-JYRVWZFOSA-N	301.342	3.018	10	20	DGCD	
C[C@H](CN(C)Cc1cccc(Cl)c1O)C(=O)OC(C)(C)C	839192537	KAMFJSMJOOAKNZ-LLVKDONJSA-N	313.825	3.455	10	20	DGCD	
C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC1	839145161	MPDOCEBIRHXKGU-GFCCVEGCSA-N	310.388	3.080	10	20	DGCD	
CCOC(=O)N(C)c1ccc(NC(=O)c2cc(O)cs2)cc1	731870765	WNIITTYBXLJPFU-UHFFFAOYSA-N	320.370	3.299	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CN(c2ccccc2)C2CC2)cc1	839617794	RMQDUJVMTCJEAG-UHFFFAOYSA-N	323.440	3.038	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)C(C)(F)F	839920666	COTBCDQIYVUGMH-OLZOCXBDSA-N	312.404	3.400	10	20	DGCD	
COCCCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	915831327	GIBLVTZVRHGPIL-UHFFFAOYSA-N	314.429	3.179	10	20	DGCD	
Fc1cc(CNCc2ccccc2)cc(F)c1N1CCOCC1	839146569	MFADKFFMVIUETQ-UHFFFAOYSA-N	318.367	3.091	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Cl)cc1O	841748237	IKTZZAMBOPRSOD-GHJWDPDVSA-N	311.809	3.034	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](C)CN2CCCCC2)c1O	846146985	UFFSPYBKHAEHAW-HUUCEWRRSA-N	306.450	3.173	10	20	DGCD	
CCCc1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)no1	919807030	NBEMOKHMXCRIJH-UHFFFAOYSA-N	316.449	3.499	10	20	DGCD	
CCCN(C(=O)NCCCSc1nccs1)C(C)C	847335547	FICSUKVFJGBFSY-UHFFFAOYSA-N	301.481	3.455	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCc2ccccc2[C@@H]1CO	840915162	LSZBFWFFKSZUPW-FQEVSTJZSA-N	310.441	3.153	10	20	DGCD	
CCc1cccc(CNC[C@@H](CO)Cc2ccc(F)cc2)c1O	848895519	VYUMBFWJESZKBI-HNNXBMFYSA-N	317.404	3.035	10	20	DGCD	
C[C@@H](Cc1ccsc1)NC[C@H](N)c1ccc(N(C)C)cc1	841044742	FKMSMFDWWMHEBS-GUYCJALGSA-N	303.475	3.035	10	20	DGCD	
CCOc1cccc(CN2CC3(CCOCC3)C[C@H]2C)c1O	843431556	HNWVOSYLMZQDRB-CQSZACIVSA-N	305.418	3.182	10	20	DGCD	
C[C@H](NCCCOC1CCOCC1)c1ccc(Cl)cc1O	841752281	SBFKUGSHZRHVNY-LBPRGKRZSA-N	313.825	3.282	10	20	DGCD	
CCOCCOCCN[C@H](C)c1ccc(N2CCCCC2)cc1	927090393	PODMSBNTXHIXFH-QGZVFWFLSA-N	320.477	3.381	10	20	DGCD	
COc1cc([C@@H](C)N[C@H](C)Cc2ccc(N(C)C)cc2C)on1	926595219	HHTMVBXPGSIQKY-ZIAGYGMSSA-N	317.433	3.339	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)c1	858305210	SJLMZIRLHLUTOP-SCTDSRPQSA-N	322.408	3.086	10	20	DGCD	
COc1ccc(CNCc2cccc(OC3CC3)c2F)c(O)c1	850365008	CIDUHCGDWQHGNL-UHFFFAOYSA-N	317.360	3.371	10	20	DGCD	
COc1ccc(N(C)Cc2cccc3nsnc23)cc1OC	766023258	LZBMAXSHZDAASV-UHFFFAOYSA-N	315.398	3.345	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2CN2CCCCC2)cc1	768936790	HQQOXSDSMNUOGV-LJQANCHMSA-N	301.478	3.203	10	20	DGCD	
CCc1nc(NC(=O)NCc2cc(C)ccc2O)sc1C	860706453	WPWZKXKAIYGLMI-UHFFFAOYSA-N	305.403	3.350	10	20	DGCD	
Cc1ccc(C(=O)Nc2nc(C3CCC3)cs2)c(O)c1O	769148994	ADAJJJKNBVZBNG-UHFFFAOYSA-N	304.371	3.383	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC(C)(C)C2)c1	768765681	FTOXGGKOBUSMGO-RYUDHWBXSA-N	306.406	3.340	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCCC(F)(F)CC2)cc1	863498727	RBMWLBZXXNXQJZ-UHFFFAOYSA-N	311.376	3.083	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@H]3CC[C@H](C)C3)CC2)cc1	1116480350	IWFNNCRAWGPREA-HOTGVXAUSA-N	316.445	3.170	10	20	DGCD	
C[C@@H](NCCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	766525694	APFPCOLSUPQZRA-LLVKDONJSA-N	320.330	3.265	10	20	DGCD	
Cc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c(O)c1	877476512	GJNGSYMHHCWZQS-MJGOQNOKSA-N	315.388	3.096	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](CC)[C@H](O)c2ccccc2)c1	873193198	JSOVLRVBOFUYRJ-IEBWSBKVSA-N	315.413	3.393	10	20	DGCD	
CC(C)Cc1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1	775833966	IWPOGYZHSCXABX-CYBMUJFWSA-N	302.422	3.185	10	20	DGCD	
CN(C)c1cc(F)c([C@@H]2Nc3ccccc3C(=O)N2C)cc1F	877844412	HCFFXZSADPAIPG-MRXNPFEDSA-N	317.339	3.227	10	20	DGCD	
Cc1cc(CNCc2c(C)cccc2O)cc(N2CCCC2)n1	877540230	ZYASKLKNNUPFLM-UHFFFAOYSA-N	311.429	3.294	10	20	DGCD	
CCCC[C@@H](COC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773305966	LSSGIPWECQPHIX-HOCLYGCPSA-N	321.465	3.318	10	20	DGCD	
COc1cc(Cl)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1	775356163	FSWCRYTWPAHBAV-XVNBXDOJSA-N	319.744	3.412	10	20	DGCD	
COC(=O)c1coc([C@H](C)NCc2ccc(N(C)C)cc2C)c1	774193236	UMPIZCQXPZSXQH-ZDUSSCGKSA-N	316.401	3.291	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1Cc1ccc(N2CCN(C)CC2)cc1	775998180	DSLQLOWRMGPSCY-QFBILLFUSA-N	301.478	3.059	10	20	DGCD	
C[C@@H](NCC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1O	879648548	SWICOOPWZOVMNF-VLIAUNLRSA-N	324.424	3.310	10	20	DGCD	
C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@@H]2c1cc(-c2ccccc2)ccc1O	777901498	YXWDROSLVMXRIN-FMEYXAORSA-N	322.408	3.288	10	20	DGCD	
CN1CCN(c2ccc(CNc3nc4ccccc4o3)cc2)CC1	777505584	RVULAKPQSLRAHC-UHFFFAOYSA-N	322.412	3.192	10	20	DGCD	
CC(C)CN(CC(C)C)C(=O)COc1ccc(N(C)C)cc1	786865564	PMCROAQSZLNCKC-UHFFFAOYSA-N	306.450	3.272	10	20	DGCD	
COc1ccc(N2CCCN(C[C@@H](O)CCC(C)C)CC2)cc1	795523199	BMJDBKCYYWUOHN-SFHVURJKSA-N	320.477	3.004	10	20	DGCD	
COc1ccc(CNC(=O)C[C@@H](C)c2cccc(F)c2)c(O)c1	794382230	ZYSUYRCQMSFGIN-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
COc1cc(NC(=O)NCc2ccccc2O)c(C)cc1C	797676777	UCFDJUMTRDTELG-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2F)ccc1O	790069626	ZHBAVYRHNYJZFP-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
C[C@@H]1CCCN(C(=O)CCN[C@H](C)c2cc(Cl)ccc2O)C1	1325355578	CWMBVLBAEFBAFV-CHWSQXEVSA-N	324.852	3.345	10	20	DGCD	
C[C@H](CC(=O)OC(C)(C)C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	1337801401	SCWZGNBWXBDJML-GHMZBOCLSA-N	324.377	3.071	10	20	DGCD	
Cc1ccc(CSc2ncc(C(=O)O)s2)nc1Cl	1600422621	QCJDIYQNYXZQGJ-UHFFFAOYSA-N	300.792	3.490	10	20	DGCD	
C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)NCCc1ccc(N)cc1	1576676742	DKTYKJHQEBHYGP-YCPHGPKFSA-N	303.450	3.183	10	20	DGCD	
C[C@@H]1C[C@@H](NC2CCC(C(=O)O)CC2)c2c(O)ccc(F)c21	1589291462	IVFRCODADDSPPC-ZUYNKMSQSA-N	307.365	3.313	10	20	DGCD	
CCN1CCc2cc(CNC[C@H](CC(=O)O)C(C)(C)C)ccc21	1776877465	LUNQYKPZDIJSIH-INIZCTEOSA-N	318.461	3.296	10	20	DGCD	
CC1(C)CCC[C@]1(NCc1c(O)ccc(Cl)c1F)C(=O)O	1776551380	NAMQFFRBGVQNEA-HNNXBMFYSA-N	315.772	3.308	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CC[C@](C)(C(=O)O)C2)cc1	1776861201	NTQQEUGXJSHIAL-YJBOKZPZSA-N	304.434	3.266	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1F	158994374	XCOMCXKANVEXIE-LLVKDONJSA-N	303.333	3.047	10	20	DGCD	
CCCCNC(=O)C1(NCc2cc(F)ccc2O)CCCCC1	154638463	AVFOAKWEUKKTFS-UHFFFAOYSA-N	322.424	3.240	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H]1CCN(Cc3ccccc3)C1)CC2	383936774	CYFVMAOFPWUYRU-PKOBYXMFSA-N	322.452	3.491	10	20	DGCD	
Cc1ccc([C@H](C)NCCCONC(=O)OC(C)(C)C)c(O)c1	903239153	JGURTGBDCWBRHV-ZDUSSCGKSA-N	324.421	3.198	10	20	DGCD	
C[C@H](NC[C@@H]1CCCS1)c1ccc(N2CCOCC2)c(F)c1	118945570	FTKBJADWNKZXIL-ZFWWWQNUSA-N	324.465	3.209	10	20	DGCD	
CCCc1cc(C(=O)N(CCC)Cc2ccccc2O)[nH]n1	174953871	CQJBJVAFYIHQMH-UHFFFAOYSA-N	301.390	3.120	10	20	DGCD	
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1nc(C)cs1	179483261	NJHLZTKOMMCPAK-NSHDSACASA-N	306.387	3.052	10	20	DGCD	
C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O	176986337	FFTSEUPHQPVDBH-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
COc1ccc(O)c(CN2CCc3c([nH]c4ccccc34)C2)c1	180531342	DCPKCTLSFIZXFV-UHFFFAOYSA-N	308.381	3.440	10	20	DGCD	
CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc2ccccc2c1O	186030049	IKAQBBSDGANPMQ-CHWSQXEVSA-N	321.442	3.019	10	20	DGCD	
C[C@H](NCCCNc1ccccn1)c1ccc(F)c(F)c1O	187750499	RUWSCQRWCUVWEQ-NSHDSACASA-N	307.344	3.218	10	20	DGCD	
C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC(C)(C)C	185218011	DJHKBUPALAPOAE-CHWSQXEVSA-N	318.461	3.225	10	20	DGCD	
COC[C@H](Cc1ccccc1)N(C)Cc1cc(F)ccc1O	187992887	CXXIPGMPMBGGCH-KRWDZBQOSA-N	303.377	3.221	10	20	DGCD	
Cc1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)no1	123173303	SRDKDVLYKVDXDV-UHFFFAOYSA-N	313.279	3.229	10	20	DGCD	
C[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	47036096	JCXYGTZWFHFQAT-GOEBONIOSA-N	303.450	3.473	10	20	DGCD	
Cn1cc([C@H]2CSCCN2Cc2cccc(Cl)c2O)cn1	191741705	YCUHFFNIPBUFNA-CQSZACIVSA-N	323.849	3.069	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CC[C@@H]2CCCC[C@@H]21	92709639	FFHMLZDVEFRYHE-HKUYNNGSSA-N	300.446	3.288	10	20	DGCD	
CC(C)C[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	236647294	LAXIVYJIZPOPMB-SFHVURJKSA-N	317.477	3.009	10	20	DGCD	
C[C@@H]1CCC[C@](CNCc2ccc3c(c2)CCO3)(N(C)C)C1	237527918	MZGNJJGDOXKLQM-BEFAXECRSA-N	302.462	3.222	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1CCOc2c(Cl)cccc21	255834001	XKXAEAIIUTZDGI-SREVYHEPSA-N	300.745	3.174	10	20	DGCD	
COc1ccc(N2CCN([C@H](C)c3cccnc3)CC2)cc1F	267933097	OYWQWXOWWWMJKW-CQSZACIVSA-N	315.392	3.113	10	20	DGCD	
CCN(CC)[C@H](C(=O)NCc1ccccc1O)c1ccccc1	264189068	BLCCMGUGFQECPO-SFHVURJKSA-N	312.413	3.092	10	20	DGCD	
CCCn1ncnc1CN1CCCCc2cc(OC)ccc21	279103495	QBLGPGYEYHVYDP-UHFFFAOYSA-N	300.406	3.040	10	20	DGCD	
CCCC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	277482610	WSDABRWLSQKDKV-LLVKDONJSA-N	306.189	3.432	10	20	DGCD	
CCNC(=O)C1(CN[C@H](CC)c2ccc(C)cc2O)CCC1	280052412	JRKLIOXWPOPTFW-OAHLLOKOSA-N	304.434	3.048	10	20	DGCD	
CC[C@H](NC[C@@H](O)c1ccccc1F)c1ccc(F)cc1O	286157922	PSUYSWDNOOZUPU-DOTOQJQBSA-N	307.340	3.445	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])[nH]1	282462944	JXVKXMCQXMQCAU-UHFFFAOYSA-N	317.345	3.071	10	20	DGCD	
COc1ncc(CN[C@@H](C)c2ccc(F)cc2O)cc1Cl	295843760	ARSKDJZBQGHVHX-VIFPVBQESA-N	310.756	3.439	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)CC2	296240654	ATCKIEUGYGVTPQ-GOEBONIOSA-N	303.789	3.356	10	20	DGCD	
OC[C@@]1(c2ccccc2)CCN(Cc2cccc(Cl)c2O)C1	291302201	QRUWOLBLHVGZRF-GOSISDBHSA-N	317.816	3.182	10	20	DGCD	
Cc1cc([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c(C)o1	817939214	AMMIEAOHFFGXKI-FZKQIMNGSA-N	301.434	3.313	10	20	DGCD	
CNCCCN[C@@H](C)c1cc(Br)cc(Cl)c1O	817939360	DJEQMUDERCQJBI-QMMMGPOBSA-N	321.646	3.068	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1	816666670	SVHXDJUDXTVCLE-CVEARBPZSA-N	311.784	3.328	10	20	DGCD	
CC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2O)c(C)nc1C	827940320	AMLLJTRJAJYJQZ-SNVBAGLBSA-N	312.369	3.098	10	20	DGCD	
CCCc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1	828860796	HOXVFJBBJVLDGA-LBPRGKRZSA-N	301.390	3.184	10	20	DGCD	
COC(=O)c1cnc(SCCN(C)c2ccccc2)s1	829681202	QAUCZTVRTXYMSK-UHFFFAOYSA-N	308.428	3.158	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)c(C)cc2O)c(O)c1	825752766	IWNCXFHNITUAQS-UHFFFAOYSA-N	307.777	3.358	10	20	DGCD	
Cc1cc(CN2CCC(c3ccncn3)CC2)ccc1N(C)C	839622386	PPKCPYWKQPVYKI-UHFFFAOYSA-N	310.445	3.231	10	20	DGCD	
CCCNC(=O)c1cccc(CN[C@@H]2CCc3cccc(O)c32)c1	834513651	NTTBRTYLUKLJRN-QGZVFWFLSA-N	324.424	3.309	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC[C@H]1CCCO1	839914810	BWFSJILERMIOLJ-MAUKXSAKSA-N	318.461	3.067	10	20	DGCD	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(O)cs2)cc1C	732354620	ORLBZEJIIHJNEB-NSHDSACASA-N	319.382	3.255	10	20	DGCD	
Cc1cc(NC(=O)CCSc2ncc(Cl)s2)no1	849999548	UBQFJRROGLBZKG-UHFFFAOYSA-N	303.796	3.214	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)[C@H]2CCCNC2)cc1F	841032236	AEQVSWBACUPVFD-ZBFHGGJFSA-N	307.457	3.150	10	20	DGCD	
COc1cccc(CNc2ccc(CN(C)C)cc2F)c1O	840958929	WLMUOBZVWBVZJA-UHFFFAOYSA-N	304.365	3.214	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCC[C@H]([S@](=O)CC)C2)c1O	848897414	ILYSMEPHQAYYRG-VWKPWSFCSA-N	309.475	3.124	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cnn(Cc2ccccn2)c1	840936067	GEHDTOOWYRXOPO-UHFFFAOYSA-N	321.428	3.313	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCNC2(C)C)c(C(F)(F)F)c1	841085423	BXKDKZNWXLVABX-AWEZNQCLSA-N	315.383	3.002	10	20	DGCD	
CCN(C[C@@H](O)COc1cccc(C)c1)c1ccc(OC)cc1	747681544	AXZSCWCMNGBBTA-QGZVFWFLSA-N	315.413	3.270	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(CO)cc2)c2c(O)ccc(F)c21	842894848	IRCKGJAZZSZERU-NHYWBVRUSA-N	301.361	3.362	10	20	DGCD	
C[C@H](N)C[C@@H](C)NCc1ccc(OCc2ccccc2)cc1O	843129971	VUJTWOPRHYYCRJ-LSDHHAIUSA-N	314.429	3.187	10	20	DGCD	
COC1CCC(CC(=O)NCc2cc(Cl)ccc2O)CC1	846474821	CHEQUCVHJAOASN-UHFFFAOYSA-N	311.809	3.257	10	20	DGCD	
CCCC(CCC)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	846663237	GDUSRUZSEDBHCC-QGZVFWFLSA-N	305.466	3.085	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@@H](C)c1ccc(Cl)cc1O)C2	841745730	SMXUNQUEEVZZFQ-HZMBPMFUSA-N	317.820	3.352	10	20	DGCD	
FC(F)(F)c1ccncc1CNCc1ccc2c(c1)CCO2	853095709	UQYYVWZQJXIHCY-UHFFFAOYSA-N	308.303	3.325	10	20	DGCD	
C[C@H](NC[C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O	756605667	ULBZUUQNYVEZAD-JSGCOSHPSA-N	321.367	3.487	10	20	DGCD	
CC(C)O[C@H]1C[C@@H](NCc2c(O)cccc2Br)C1	858176265	RXISQVZHEIRCJK-PHIMTYICSA-N	314.223	3.200	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)OCCF	859042069	FABMEBZVNJPTOP-UHFFFAOYSA-N	320.158	3.083	10	20	DGCD	
COc1cc(O)c(CN2CC(C)(c3ccccc3)C2)cc1OC	857059035	YOZDBXIHLMAYEM-UHFFFAOYSA-N	313.397	3.183	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C3CCCCC3)C2)c1	850537884	AVRUUCKBDNQMQE-CABCVRRESA-N	318.461	3.458	10	20	DGCD	
O=C(NCc1ccccc1O)NC1(C(F)(F)F)CCCCC1	933428155	KDCFSAQDOUGEPZ-UHFFFAOYSA-N	316.323	3.457	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2SCCS2)cc1	761138796	SOTBMHMMSVDDHW-UHFFFAOYSA-N	324.515	3.297	10	20	DGCD	
Cc1conc1NC(=O)NCc1cc(Cl)cc(Cl)c1O	1117338854	GOCIQDVFACLIMU-UHFFFAOYSA-N	316.144	3.317	10	20	DGCD	
CCN(Cc1nncn1-c1ccccc1)c1ccc(OC)cc1	769748596	ZHANTXMWWRZFNV-UHFFFAOYSA-N	308.385	3.302	10	20	DGCD	
CC[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	773017143	UJHMQONJNASWMZ-YSVLISHTSA-N	304.434	3.135	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1O	788593221	GXPKGCVVBJZZEY-GHMZBOCLSA-N	314.351	3.298	10	20	DGCD	
O=C(/C=C\c1nccs1)NCc1c(O)ccc2c1CCCC2	1123734370	BAGKMBJAMKKHIZ-FPLPWBNLSA-N	314.410	3.057	10	20	DGCD	
COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(F)c2)c(OC)c1	788486066	QSTAKMMJPIJUDT-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
CSC1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	789213377	PHVDWULKZVGICA-GFCCVEGCSA-N	307.463	3.008	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ccc3ccn(C)c(=O)c3c2)c1	793562732	BCHHDJXVUXSDSL-LBPRGKRZSA-N	324.380	3.426	10	20	DGCD	
CC[C@@H](NCc1nccn1C)c1cc(Br)ccc1O	71273042	VHRLWHRNSFHFQD-GFCCVEGCSA-N	324.222	3.129	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCCC[C@@H](C)O)cc1	795388770	YLSSFYCXWORDNM-OAHLLOKOSA-N	301.386	3.412	10	20	DGCD	
FC(F)COc1ccnc(CNC(=S)Nc2ccccc2)c1	1319878946	OBYFDSRIQJPDIQ-UHFFFAOYSA-N	323.368	3.212	10	20	DGCD	
CC[C@]1(C)C[C@H]1C(=O)NCCCNCc1ccc(OC)c(C)c1	1169766462	RHPSRGGBUICJCT-QFBILLFUSA-N	318.461	3.036	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21	1320253024	OFDQYAKVDGEKEG-HUUCEWRRSA-N	318.461	3.487	10	20	DGCD	
CCC(CC)[C@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)N(C)C	1609916450	AGAGKIWBMQLYJT-WBMJQRKESA-N	322.449	3.107	10	20	DGCD	
Cc1oc(CN(C)Cc2cc3c(cc2O)CCC3)cc1C(=O)O	1608046162	PXHOHVWGSHGTND-UHFFFAOYSA-N	315.369	3.113	10	20	DGCD	
O=C(O)c1c[nH]c2cc(NCc3cc(F)c(F)cc3O)ccc12	1608832368	MYUAMRQSANOCBF-UHFFFAOYSA-N	318.279	3.462	10	20	DGCD	
Cc1cc(CN(C)[C@H](C(=O)O)c2ccccc2)ccc1N(C)C	1600188882	OLWYXKIBWLSVJF-SFHVURJKSA-N	312.413	3.319	10	20	DGCD	
Nc1ccc(CNC(=O)c2cc(Cl)c(Cl)cc2N)cc1	1580445759	UHWFCPQQWBAONS-UHFFFAOYSA-N	310.184	3.088	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](CCC(=O)O)C2)c(Cl)c1	1594327277	VQXRLPHBMAXIIE-LBPRGKRZSA-N	311.809	3.431	10	20	DGCD	
COc1cc(Cl)cc(CNCc2ccc(C(=O)O)cc2O)c1	1777316425	XDFQBLMPMWBCGG-UHFFFAOYSA-N	321.760	3.042	10	20	DGCD	
CN(CCc1nccs1)Cc1cc2c(cc1O)CCCC2	160481434	HIEXCAIDWQWGCN-UHFFFAOYSA-N	302.443	3.402	10	20	DGCD	
C[C@H]1COCCN1Cc1cc(Cl)cc(Br)c1O	708133492	KNWAVNRMQVAJPA-QMMMGPOBSA-N	320.614	3.029	10	20	DGCD	
Brc1ccc(CNCc2ccc3c(c2)CCO3)nc1	733797938	GTRGBMFJSWLMBD-UHFFFAOYSA-N	319.202	3.069	10	20	DGCD	
CC(C)(CNCc1ccccc1O)CNC(=O)OC(C)(C)C	876996470	VFEQIVIFINJENW-UHFFFAOYSA-N	308.422	3.033	10	20	DGCD	
Cc1ccc(CN[C@H](CNC(=O)OC(C)(C)C)C2CC2)c(O)c1	877059325	URWYMZIZOJUAHV-OAHLLOKOSA-N	320.433	3.094	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1O	57881783	MBROBNUXENAJHC-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N[C@H]1CCCC[C@@H]1C	27579251	LCAXKPWWBAKAFE-YOEHRIQHSA-N	316.445	3.143	10	20	DGCD	
C[C@H](NCC1(O)CCC1)c1ccc(N2CCCCC2)c(F)c1	305161538	XDARESDPBNCLRW-AWEZNQCLSA-N	306.425	3.382	10	20	DGCD	
C[C@H](NCCCOC1CCOCC1)c1cc(Cl)ccc1O	186074110	KIEZICFFSIKTPY-LBPRGKRZSA-N	313.825	3.282	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1ccc(F)cc1Br	128671874	ZOQFBEOMPOSQHX-FPYGCLRLSA-N	318.192	3.077	10	20	DGCD	
CC(C)(C)OC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	158134213	DRQNGJSMRVMELP-CQSZACIVSA-N	307.390	3.308	10	20	DGCD	
Cc1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c(C)o1	187058082	YFYNWXXCAGAXHN-UHFFFAOYSA-N	309.387	3.328	10	20	DGCD	
Cc1cccc(OC[C@H](O)CN[C@@H](C)c2cc(C)ccc2O)c1	185129431	YXORFANWWOHOKT-JKSUJKDBSA-N	315.413	3.100	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c(O)c1O	185824650	GEVDIUNUQKQSPJ-LLVKDONJSA-N	323.348	3.127	10	20	DGCD	
COc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1F	195502277	ZGWAXUQXXKWQPW-RAXLEYEMSA-N	320.389	3.291	10	20	DGCD	
CC[C@H](NCc1cncn1C)c1cc(Br)ccc1O	289627983	FBPOODFQQXIOQF-ZDUSSCGKSA-N	324.222	3.129	10	20	DGCD	
OC[C@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1O	93455412	HSKCCAFIBSZVMA-INIZCTEOSA-N	303.789	3.137	10	20	DGCD	
CCCCOCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	265396097	QTHCPYHQRRCSGK-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)C1CCCCC1	269258720	YVZXDWHKDAEPFG-ZDUSSCGKSA-N	305.418	3.363	10	20	DGCD	
COc1ccc(CNCc2csc([C@@H](C)OC)n2)cc1C	267638623	QDEJAMJCKNSXQB-GFCCVEGCSA-N	306.431	3.457	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C1(c2cccnc2)CCCC1	365998595	ZRVYGHXGHMIIMD-UHFFFAOYSA-N	310.397	3.258	10	20	DGCD	
C[C@@H](NCC1(N(C)C)Cc2ccccc2C1)c1ccccc1O	272846929	KLKKSCDLNRYNFR-OAHLLOKOSA-N	310.441	3.142	10	20	DGCD	
C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O	273512994	RZNLSGQAPVHSGM-YMTOWFKASA-N	311.303	3.194	10	20	DGCD	
C[C@H](N[C@H](C)c1ncnn1C)c1ccc(Cl)c(Cl)c1O	276634590	OBZRRQHXPMKTBH-JGVFFNPUSA-N	315.204	3.239	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCc1cnc2n1CCCC2	376757548	IOVQHHYMNDYAEN-UHFFFAOYSA-N	309.772	3.007	10	20	DGCD	
C[C@@H](NCC(C)(C)OCCO)c1cc(Cl)c(Cl)cc1O	287421143	SGDHRERYJJVDPK-SECBINFHSA-N	322.232	3.137	10	20	DGCD	
CN1CC[C@@H]2[C@H](CCCN2Cc2cc(Cl)cc(F)c2O)C1	809767723	SBDLNVKUHMTCTE-IAQYHMDHSA-N	312.816	3.101	10	20	DGCD	
Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ns1	807840613	GKSRXPGNJWOFRG-UHFFFAOYSA-N	317.197	3.394	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(CO)cn2)cc1F	811500997	CEFNTSZCKGWSEH-UHFFFAOYSA-N	303.381	3.171	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(N(C)C)c(C)c1	815075464	BNJUAYWCSXMSIQ-LPHOPBHVSA-N	318.461	3.273	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c(C)n1	817941147	JDWNRLQWZKQWGG-LIRRHRJNSA-N	312.461	3.115	10	20	DGCD	
Cc1cccc(C[C@@H](CO)NCc2cc(Cl)c(F)cc2O)c1	816588720	WWLKCYATRPIEBP-AWEZNQCLSA-N	323.795	3.186	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@]3(CCCN(C)C3)C2)cc1Cl	826016379	IMOMJDUYBQRFGW-KRWDZBQOSA-N	308.853	3.272	10	20	DGCD	
CN(Cc1ccccc1O)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1	821392497	ZYNLLCBCRUHMJX-HNNXBMFYSA-N	318.461	3.109	10	20	DGCD	
CSC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1	824268841	WVFUOHYIZWFFDU-UHFFFAOYSA-N	306.475	3.435	10	20	DGCD	
O=C(c1cccc2c1CCNC2)N1CCc2c(Cl)cccc21	662606582	SSTLVNRPSMECSX-UHFFFAOYSA-N	312.800	3.189	10	20	DGCD	
CC(C)C[C@@H]1COCCN1Cc1c(O)ccc2ccncc12	733789600	XTJHUAXRHIJGIU-OAHLLOKOSA-N	300.402	3.187	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H](C)CCO)cc1	833224021	ZIDWJVPWXJIDFF-AWEZNQCLSA-N	314.429	3.233	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(CCO)cc2)c2c(O)ccc(F)c21	903404255	YZPGHRWSWOTEPB-MLGOLLRUSA-N	315.388	3.404	10	20	DGCD	
COCCn1ncc2ccc(N[C@H]3CCc4cccc(O)c43)cc21	834748258	RBZLBGDZXYVRTI-INIZCTEOSA-N	323.396	3.488	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCC(C)(C)C2(O)CCOCC2)c(O)c1	841761118	DJGYDYNWNIRFHW-OAHLLOKOSA-N	321.461	3.227	10	20	DGCD	
CCOc1ccc(O)c(CNCc2ccc3c(c2)CCCN3)c1	841070609	SDLLTKQKXDSJMT-UHFFFAOYSA-N	312.413	3.439	10	20	DGCD	
CC(=O)c1c(C)[nH]c(C(=O)NCc2cc(Cl)ccc2O)c1C	846478704	DPQJBPXWBDZRIS-UHFFFAOYSA-N	320.776	3.123	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCC(=O)OC(C)C)cc1	743839293	BSXRNMNPIFTMGV-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1noc2c1CCCCC2	846473937	ONGWKIUPEQSGQP-UHFFFAOYSA-N	320.776	3.233	10	20	DGCD	
CCOc1ccc(N(CC)Cc2nc([C@@H](C)OC)no2)cc1	747840313	NMYCALVPMAIJRF-GFCCVEGCSA-N	305.378	3.202	10	20	DGCD	
Cc1ccc(CNC(=N)NCc2c(O)ccc3c2CCCC3)cc1	849098401	LCPFETGTSCDCCX-UHFFFAOYSA-N	323.440	3.394	10	20	DGCD	
O=C1Nc2ccccc2CC[C@@H]1NCc1ccc2c(c1)CCCO2	922225078	QAJWLKHRADZNIH-SFHVURJKSA-N	322.408	3.055	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)CNCCO2	841081859	HCHNGJUDNVHQIW-UHFFFAOYSA-N	311.429	3.155	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC3CC(SC)C3)C2)cc1	926614674	ZXQWJZKSKHEHGG-CBCUQQMYSA-N	306.475	3.005	10	20	DGCD	
CCOc1ccc(CN(C)C(C)(C)CN2CCCC2)c(O)c1	841893512	KYYMZPHDNJFGIP-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccccn2)CC(C)C)c(O)c1O	928740782	ORUKFMSTHLJHAS-UHFFFAOYSA-N	314.385	3.100	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCN2C[C@H](C)C[C@@H](C)C2)c1	756422728	NLWKZURQECCJSI-OAGGEKHMSA-N	320.477	3.419	10	20	DGCD	
C[C@H]1C[C@H](NCCOc2cccnc2)c2c(O)ccc(F)c21	756570952	GWJSSXYAOHXGCL-FZMZJTMJSA-N	302.349	3.143	10	20	DGCD	
C[C@@H](NCc1cccc2c1OCCO2)c1ccc(F)cc1O	756705823	VSORQHXGVVBKDI-LLVKDONJSA-N	303.333	3.153	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1ccc(C)o1	935949418	ZLTWVNAREVECFK-GFCCVEGCSA-N	308.374	3.199	10	20	DGCD	
CCC[C@@H]1CC(=O)N(CN2CCCc3cc(OC)ccc32)C1	766341921	URBKEPXSCLGQQQ-CQSZACIVSA-N	302.418	3.054	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)o1	768209579	ZFNYZNJOTZQIMS-UHFFFAOYSA-N	320.820	3.402	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2nnc(C(C)(C)C)s2)c1	860497774	MQJGPTQWYLNZKW-UHFFFAOYSA-N	320.418	3.171	10	20	DGCD	
Cc1cc(C(=O)N2Cc3cccnc3C2)c(C)n1-c1ccccn1	767063480	JKOQFVLCLSJWMB-UHFFFAOYSA-N	318.380	3.040	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(N3CCSCC3)cc2)CS1	876942774	FCQJVCLNDGEROM-ZFWWWQNUSA-N	308.516	3.223	10	20	DGCD	
CC(C)(C)c1cnc(SCCN2C[C@@H]3CC[C@H](C2)O3)s1	775189097	GPIIUBCPAUNBOA-TXEJJXNPSA-N	312.504	3.396	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(NC2CC2)nc1)c1ccc(N(C)C)cc1	773017603	HOUFNBFHFLUOES-CYBMUJFWSA-N	324.428	3.213	10	20	DGCD	
COc1cc(O)c(CN[C@H](C)c2cnc(C)s2)cc1OC	877684844	AKRVMVRNCBGBNW-SECBINFHSA-N	308.403	3.025	10	20	DGCD	
CC[C@H](NCc1cc(F)cc(F)c1O)[C@H](O)c1ccccc1	883203702	JJIUJPQTYSDDNW-DOTOQJQBSA-N	307.340	3.272	10	20	DGCD	
CCOc1ccc(CN2CCc3c(cccc3OC)C2)c(O)c1	783594283	FPYSEGQYTRLPAX-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
COCCN(Cc1ccc(OC)c(OC)c1O)[C@H]1CC[C@H](C)C1	893998787	AEXJROOFRSSOLS-ZFWWWQNUSA-N	323.433	3.046	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CN1C[C@H]2C[C@H]2C1	895390752	XQMYKJVPPCUAQI-OCAPTIKFSA-N	302.599	3.260	10	20	DGCD	
CCC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	798121663	DFMJVAHBNWASFS-UHFFFAOYSA-N	303.333	3.369	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC[C@H](C)C1	793023985	IIXYKNCKLWMBBP-DZGCQCFKSA-N	303.450	3.296	10	20	DGCD	
CCc1nn(C)cc1/C=C1/C(=O)N(C)c2ccc(Cl)cc21	799501550	HHDYPHURXOBXOI-NTUHNPAUSA-N	301.777	3.153	10	20	DGCD	
CC(C)[C@H](O)CNCc1ccc2c(c1)CCN2Cc1ccccc1	796308343	GFGSBBXIZWIDPW-OAQYLSRUSA-N	324.468	3.356	10	20	DGCD	
CC(C)c1nocc1C(=O)NCc1ccc2c(c1)CCCN2C	1328821067	WTLQOEYQFZAVBP-UHFFFAOYSA-N	313.401	3.110	10	20	DGCD	
C[C@@H]1CCc2nc(CNCCc3ccc(N)cc3)sc2C1	1326073918	BFDTWRYEFSQJEL-GFCCVEGCSA-N	301.459	3.182	10	20	DGCD	
CO[C@H](CNCc1c(O)cccc1Br)C(C)(C)C	1334888630	CMPWMVOUKXTGLP-CYBMUJFWSA-N	316.239	3.305	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCc1cc(C(=O)O)no1	1600892609	BDPIPBPIGDNNGZ-UHFFFAOYSA-N	315.354	3.066	10	20	DGCD	
Nc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1	1580443617	SWUIMDCYTUCILU-CHWSQXEVSA-N	320.314	3.106	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCOC1	163621802	XCOXOQSGRFMOFT-AEFFLSMTSA-N	320.502	3.145	10	20	DGCD	
Cc1cc(C(=O)N2C[C@H]3CCC[C@H]3C2)c(C)n1-c1ccccn1	153952373	HHKJNOQAUMNCOD-IYBDPMFKSA-N	309.413	3.361	10	20	DGCD	
CCC[C@H]1CN(Cc2c(O)cccc2Br)CCO1	709023216	ZLVRQTHLBQXHHJ-NSHDSACASA-N	314.223	3.156	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(CC2CC2)CC2CC2)cc1	115639218	DUHXBPUZEHDJCF-UHFFFAOYSA-N	301.434	3.084	10	20	DGCD	
C[C@H](c1ccccc1)N(CC(=O)N(C)C)Cc1ccccc1O	176679241	RTJPLXNPYKCZJX-OAHLLOKOSA-N	312.413	3.044	10	20	DGCD	
CC(C)CCSCC(=O)N1CCOc2cc(N(C)C)ccc21	173193305	UTJJJISXXGRNKD-UHFFFAOYSA-N	322.474	3.257	10	20	DGCD	
CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	121505949	HQXVMYYWOHAXKK-WMZOPIPTSA-N	313.445	3.441	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ncccc2c1	185389583	ILQHCBPUDMPSIM-LBPRGKRZSA-N	322.364	3.007	10	20	DGCD	
Cc1ccc(C(=O)Nc2cn(-c3ccccc3)nc2C)c(O)c1O	182626880	SPBQDCKOYJPJQD-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
Cc1ncc(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)o1	189022418	RJOOYJJDKTZIAS-UHFFFAOYSA-N	310.309	3.314	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1CCc1ccccc1	186988370	IEKKZKUGAVBNOJ-OAHLLOKOSA-N	311.381	3.335	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(C)cc2O)c1	185177519	MKFJFPADVPHCFG-AWEZNQCLSA-N	312.413	3.301	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)C2CCCCC2)c1	74261697	IHQGFXCNDQUPIY-GFCCVEGCSA-N	306.406	3.169	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCc2ccccc21	133352783	WVWNVIGLTBNQGV-UHFFFAOYSA-N	319.408	3.335	10	20	DGCD	
C[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(F)cc1O	320513178	DZLGHKCIBUFFQU-NSHDSACASA-N	315.348	3.234	10	20	DGCD	
O=C1[C@H](Sc2nccs2)CCN1c1c(F)cccc1F	88499743	MMHNIATZJQCITQ-SNVBAGLBSA-N	312.366	3.319	10	20	DGCD	
Cc1c(C(=O)Nc2ccc(N)cc2)cnn1Cc1ccccc1	237863878	GAOVKEWFKQIODF-UHFFFAOYSA-N	306.369	3.074	10	20	DGCD	
CSC[C@H]1CCCN1Cc1cc(Br)ccc1O	93760553	DLMRGRFAAGSUJL-GFCCVEGCSA-N	316.264	3.482	10	20	DGCD	
CN(Cc1ccccc1O)Cc1c(Cl)nc2ccccn12	91956532	GBZKETZCBJHIFA-UHFFFAOYSA-N	301.777	3.325	10	20	DGCD	
CN1CC[C@H]2[C@@H](CCCN2Cc2cc3c(cc2O)CCCC3)C1	245538313	JUGXUYLLKPDOGL-HKUYNNGSSA-N	314.473	3.187	10	20	DGCD	
CCN(CCN[C@@H](C)c1ccccc1O)C(=O)OC(C)(C)C	183484674	XCBMHTLYKQOAMK-ZDUSSCGKSA-N	308.422	3.300	10	20	DGCD	
C[C@H](CCc1ccccc1F)C(=O)NCc1ccccc1O	266543614	LPLUSQZAIXHEKE-CYBMUJFWSA-N	301.361	3.416	10	20	DGCD	
Cc1nn(C)cc1CNC(=O)c1cc(C)n(-c2ccccc2)c1C	273136749	CFEUVKMQDGXKOO-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
Cc1c(CNC(=O)[C@@H](C)OCC(C)C)n(C)c2ccccc12	548100236	DZMICNBCNNZQHE-CQSZACIVSA-N	302.418	3.164	10	20	DGCD	
CC[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O	274820818	BPDHMGWGJHJJIB-ROUUACIJSA-N	324.424	3.234	10	20	DGCD	
COC[C@H](CN[C@H](C)c1cc(Cl)c(Cl)cc1O)OC	278643729	HQCOQQPMYJLEDF-BDAKNGLRSA-N	308.205	3.011	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)NCc2ccc(OC)c(C)c2)n[nH]1	277489532	UCYXNTCDEPXISY-AAEUAGOBSA-N	302.422	3.486	10	20	DGCD	
CCC(=O)CCCN(Cc1ccccc1O)C[C@H]1CCCO1	289244855	AXSVJKSTERDWSP-QGZVFWFLSA-N	305.418	3.133	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1O	287314436	DAZQVOGYGKCYFH-KGLIPLIRSA-N	310.825	3.096	10	20	DGCD	
CC[C@@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1O	285890118	CFGZYUGQXSJKTC-NVXWUHKLSA-N	307.340	3.445	10	20	DGCD	
CC[C@@H](NC[C@@H](COC)OC)c1cc(Cl)cc(Cl)c1O	287885170	YQSCOFXIGFNFNR-GXFFZTMASA-N	322.232	3.401	10	20	DGCD	
C[C@H](CO)N(Cc1c(O)ccc(Cl)c1F)CC1CCC1	809665589	WRVGKTLCKDQLMO-SNVBAGLBSA-N	301.789	3.168	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)CC(F)(F)Br	805835284	KBWFUYSGEMKNKP-UHFFFAOYSA-N	307.182	3.172	10	20	DGCD	
O=C(O)/C=C/c1ccc(N(CC2CC2)CC2CC2)c([N+](=O)[O-])c1	391327508	SAKLOWUKQPDJSX-SOFGYWHQSA-N	316.357	3.319	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3ccc4ccccc4c3O)CC[C@H]21	816521240	KLUPJGIADMOLFN-VQIMIIECSA-N	310.441	3.462	10	20	DGCD	
Cc1c[nH]nc1CNCCc1cc(C)n(-c2ccccc2)c1C	810125170	ATKOTMKQORZTJZ-UHFFFAOYSA-N	308.429	3.458	10	20	DGCD	
CC(C)N1CCC[C@H](CNCc2cc(Cl)c(F)cc2O)C1	816548365	FLWQCTCVCVGBEW-GFCCVEGCSA-N	314.832	3.395	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3CNC[C@@H]3C2)c2c(O)ccc(F)c21	817985093	ABZXAGCRHJYLSG-VVSAWPALSA-N	304.409	3.057	10	20	DGCD	
Cc1cc(C)c([C@H](C)Nc2ccc3c(c2)C(=O)NCC3)c(O)c1	815613102	GGVZSPYXRNZSBP-ZDUSSCGKSA-N	310.397	3.468	10	20	DGCD	
CCOCc1cc(CN[C@@H]2C[C@@H](C)n3ccnc32)ccc1OC	825016715	GOADLZWJXKLTIU-CZUORRHYSA-N	315.417	3.224	10	20	DGCD	
CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCC1	825123819	CQIURUDEFQGPST-CYBMUJFWSA-N	308.378	3.367	10	20	DGCD	
CC(C(=O)NCc1ccc(N2CCSCC2)cc1)=C1CCC1	825305878	VFOHJRLRNJYSJQ-UHFFFAOYSA-N	316.470	3.356	10	20	DGCD	
C[C@@H](NCc1ccccc1O)c1ccc(N2CCOC2=O)cc1	725847998	MDYHDFJGQRTMMR-CYBMUJFWSA-N	312.369	3.200	10	20	DGCD	
CCC(CC)(CC(=O)O)NC/C=C\c1ccc(N(C)C)cc1	901795543	RFNXFABSUPHVPZ-FPLPWBNLSA-N	304.434	3.389	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)Nc2cccc(F)c2)cc1	739922474	LJBTZHZPORYYET-UHFFFAOYSA-N	302.349	3.299	10	20	DGCD	
Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c(C)c1O	588510767	VWNDSVYMSRZMPE-ALCCZGGFSA-N	313.353	3.381	10	20	DGCD	
COc1ccc(/C=C\C(=O)NCc2ccc(N(C)C)cc2C)cc1	734403142	WZEBPBINABKTIS-GHXNOFRVSA-N	324.424	3.399	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(C)cn(C)c2=O)cc1F	902255771	LZMXUQJGMRBAFJ-UHFFFAOYSA-N	317.408	3.291	10	20	DGCD	
C[C@H](CC(=O)N(C)Cc1ccccc1O)C(=O)c1ccccc1	732827132	AIGSMZMLRUHNDR-CQSZACIVSA-N	311.381	3.260	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2Cc3cccc(F)c3C2)cc1	837378348	AKIOXCXRSDOFCS-UHFFFAOYSA-N	313.376	3.117	10	20	DGCD	
CCc1cccc(CN2C[C@@H](C)NC(=O)c3ccccc32)c1O	848913102	OEJMYMFIGZJJKQ-CYBMUJFWSA-N	310.397	3.093	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2cc(C)c(C)o2)cc1	844855317	UOFPBWNQIYTBLT-UHFFFAOYSA-N	316.401	3.113	10	20	DGCD	
COc1ccc(N(C)CCc2ccccc2C(=O)O)cc1OC	846240993	DBHDJXOIXMTXSL-UHFFFAOYSA-N	315.369	3.081	10	20	DGCD	
Cn1ncc2c1CCCN(Cc1ccc(N3CCCCC3)cc1)C2	840953892	CCFIVZLBVKOATM-UHFFFAOYSA-N	324.472	3.359	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC[C@H]1F	840302333	PKTRMROHYWPBKI-HZPDHXFCSA-N	307.413	3.141	10	20	DGCD	
CCOc1ccc(CCc2nc(Cc3ccc(N)cc3)no2)cc1	843159486	RAXMXEMZLZLUDJ-UHFFFAOYSA-N	323.396	3.427	10	20	DGCD	
C[C@@H](COCC(F)(F)F)NCc1ccc2c(c1)CCCO2	921611068	DPKIVLBERCORCZ-NSHDSACASA-N	303.324	3.069	10	20	DGCD	
CCON(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	753500483	YWZYRBZIXMVAJU-UHFFFAOYSA-N	305.422	3.016	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCC(F)(F)F)c1	756624055	DELXTESGZAAEER-SECBINFHSA-N	305.296	3.172	10	20	DGCD	
CNC[C@H](C)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	852921826	RTGIWSANDZQHKP-NSHDSACASA-N	319.836	3.085	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccnc(SC)c2)c1	756664795	PZKSHABOXKQRDM-NSHDSACASA-N	304.415	3.369	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csc(C2CC2)n1	935947165	UCUPGGDTKYPHEN-UHFFFAOYSA-N	323.414	3.142	10	20	DGCD	
C[C@@H](NC[C@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1	765289824	ORTGAOUGGPPRKO-SJLPKXTDSA-N	312.457	3.254	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C(=O)O)[C@@H](C)C2)cc1	863738658	DAHJLSVPVKJHJT-YOEHRIQHSA-N	304.434	3.075	10	20	DGCD	
CN(Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1	876510075	NXWWGGVJVUQISU-UHFFFAOYSA-N	310.441	3.280	10	20	DGCD	
CC[C@H](NC[C@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O	775525314	KKCYHLWVYUJOTR-JQWIXIFHSA-N	311.731	3.400	10	20	DGCD	
CCCOc1ccc(CN[C@H](Cc2ccco2)C(=O)O)cc1C	871879104	ZHOYFBNPILEROA-MRXNPFEDSA-N	317.385	3.162	10	20	DGCD	
CS[C@@H](C)CCC(=O)NCc1ccc2c(c1)CCCN2C	773291903	HPRKHXXPJVXLQL-ZDUSSCGKSA-N	306.475	3.217	10	20	DGCD	
Cc1ccncc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1	775253968	DPLSAYWPPZVKNX-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
Cc1noc(C2CC2)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	772996387	DLVJAERHASUSGR-LLVKDONJSA-N	313.401	3.417	10	20	DGCD	
CC1(C)c2ccccc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1	779544737	NOENQLQFSQBPKC-CSKARUKUSA-N	323.392	3.431	10	20	DGCD	
CCN(CCOCC(F)(F)C(F)F)c1ccc(OC)cc1	787262979	TXARTNRTJAEJSA-UHFFFAOYSA-N	309.303	3.439	10	20	DGCD	
CN(Cc1cc(Br)cc(F)c1O)[C@H]1CCSC1	893928842	GFTCMZJEWZWBNQ-JTQLQIEISA-N	320.227	3.231	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1nc2c(s1)CCC2	896287663	LAKUOHGLFGGDKK-UHFFFAOYSA-N	312.797	3.420	10	20	DGCD	
CC/C=C(\C)C(=O)N1CCN(c2ccc(OCC)cc2)CC1	1319603543	JYMLBIGDTHUXLZ-GIDUJCDVSA-N	302.418	3.090	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCCC[C@@H]1[C@H]1CCCN1	1328401221	VAOCBGYWMKKLGY-WOJBJXKFSA-N	313.489	3.393	10	20	DGCD	
CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(N2CCCC2)cc1	1324379037	RQYBEASPSRJINR-MSOLQXFVSA-N	316.445	3.108	10	20	DGCD	
COCC1(CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)CCOCC1	1324085675	BEUKXXRRYINNON-LSDHHAIUSA-N	319.445	3.282	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@](C)(O)C(F)(F)F	1337800183	LHHBXINPABQDNS-GPCCPHFNSA-N	303.324	3.152	10	20	DGCD	
CCOC(=O)[C@H](C)N(Cc1ccc(N2CCCC2)cc1)C1CC1	1338770642	USZOXMSNQKFXQU-HNNXBMFYSA-N	316.445	3.203	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2c1CCN2	1340822146	MVENDIBMCXEQTB-UHFFFAOYSA-N	321.424	3.185	10	20	DGCD	
CC(C)c1ccc(O)c(CN2CCC[C@H](c3cnn[nH]3)C2)c1	1575455603	ZOJGIJAQHDOXOD-AWEZNQCLSA-N	300.406	3.013	10	20	DGCD	
C[C@H](NCc1ccc(F)cc1F)c1cc(C(=O)O)ccc1O	1593299298	RBWOSPULSOGHFX-VIFPVBQESA-N	307.296	3.219	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cl)nc2C)c1	162190104	PAMBVZKGKLHYHK-SNVBAGLBSA-N	320.776	3.249	10	20	DGCD	
CCC(C)(C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	164915316	LTPQFZFRUFGJAQ-CQSZACIVSA-N	319.449	3.072	10	20	DGCD	
Cc1ccc([C@H](C)NCC2(NC(=O)OC(C)(C)C)CC2)c(O)c1	903240532	ZPSBTBPIKRHHET-ZDUSSCGKSA-N	320.433	3.409	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC(OC)CC3)c2c1	54358443	ZARUDWGBINSMRX-UHFFFAOYSA-N	301.386	3.165	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](COC)c2ccc(C)o2)c1	177568573	KJMMKDDGAGQAAH-HNNXBMFYSA-N	305.374	3.170	10	20	DGCD	
CN(C(=O)/C=C/c1cnn(C)c1)c1cc(Cl)cc(Cl)c1	113096797	IHFLZSSENRMBKY-ONEGZZNKSA-N	310.184	3.403	10	20	DGCD	
CN1CC[C@@H]2[C@@H](CCCN2Cc2ccc(N3CCCC3)cc2)C1	1261186394	FWKYBICKVSEDPM-AZUAARDMSA-N	313.489	3.203	10	20	DGCD	
CSc1ccc(NC(=O)CN(C)Cc2ccccc2O)cc1	171937299	VCEQYRLQFOKUAS-UHFFFAOYSA-N	316.426	3.185	10	20	DGCD	
c1nc(NCCCSc2nccs2)cc(N2CCCC2)n1	302874136	DBLPHSHUJBYUEY-UHFFFAOYSA-N	321.475	3.128	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](OC(C)C)C2)c1O	404468648	CLCFSRDLSKWGFZ-HNNXBMFYSA-N	309.381	3.123	10	20	DGCD	
CN(Cc1cscn1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	120218840	LCCTYSHKNPFPCZ-UHFFFAOYSA-N	313.766	3.042	10	20	DGCD	
COCCO[C@@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1	188927021	YIAUBKMEJIHZJH-MRXNPFEDSA-N	321.461	3.235	10	20	DGCD	
C[C@H](NCCc1ccc2c(c1)CCO2)c1cc(F)ccc1O	185452081	UNPAUHYCPHGGBX-LBPRGKRZSA-N	301.361	3.360	10	20	DGCD	
C[C@@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1O	186136307	WUJKBQBVWXWIRB-PVXIVEMSSA-N	311.422	3.237	10	20	DGCD	
CCCCCS(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1	181399516	WAAXGEPPQHNTBP-UHFFFAOYSA-N	312.479	3.095	10	20	DGCD	
COc1cc(O)c(CN(C)C[C@H](C)c2nccs2)cc1OC	182849198	AZYLFABWXKRSIU-NSHDSACASA-N	322.430	3.101	10	20	DGCD	
C[C@@H](CC(=O)OC(C)(C)C)NCCCSc1nccs1	182670169	XREAMMXWPHYUOK-NSHDSACASA-N	316.492	3.335	10	20	DGCD	
c1ccc(CC2(NCc3ccc(N4CCOCC4)cc3)CC2)cc1	187492271	WTJWBWFTZXJGON-UHFFFAOYSA-N	322.452	3.388	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(F)nc2)cc1F	189082060	UUUXROVUNOULBZ-UHFFFAOYSA-N	305.372	3.496	10	20	DGCD	
COCCOc1cccc(CN(C)Cc2ccccc2O)c1	91956590	CHIXLBONQRRXDF-UHFFFAOYSA-N	301.386	3.049	10	20	DGCD	
C[C@@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O	272805509	BZUTUJHKETZXOI-HIFRSBDPSA-N	303.377	3.033	10	20	DGCD	
COc1cc(Cl)cc(CNCC2CCN(C3CC3)CC2)c1O	278823408	ZPUMHUXBRQBKHR-UHFFFAOYSA-N	324.852	3.018	10	20	DGCD	
C[C@@H](N[C@H]1CCc2c[nH]nc2C1)c1cc2c(cc1O)CCCC2	370397828	OHHSYNIFKDYKCA-WBMJQRKESA-N	311.429	3.202	10	20	DGCD	
COc1cc(SC)ccc1NCc1cc2c(cc1O)OCO2	278551873	ZGCQSHOXIVARTL-UHFFFAOYSA-N	319.382	3.464	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H](OC)C(C)C	283547696	DSAWKKJEIZZYGQ-KRWDZBQOSA-N	322.449	3.375	10	20	DGCD	
CC(C)(C(=O)NCc1cccc(Br)c1O)C1CC1	807416994	QPYBIMIWAONKQA-UHFFFAOYSA-N	312.207	3.207	10	20	DGCD	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(F)ccc(O)c1O	294762127	BHIZUIDIHLIGQF-AAEUAGOBSA-N	315.344	3.255	10	20	DGCD	
CN(C)CCN(Cc1ccccc1O)Cc1ccc(F)cc1F	809738078	ROQPUGQWCWKGRX-UHFFFAOYSA-N	320.383	3.234	10	20	DGCD	
Cc1cccc(CNCCCNC(=O)/C=C/c2ccccc2)c1O	800545147	WZNYAIHVAQKTSB-VAWYXSNFSA-N	324.424	3.010	10	20	DGCD	
CSC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	814178711	AMIKONNOFACMNM-QGZVFWFLSA-N	320.502	3.098	10	20	DGCD	
Cc1c(CNC(=O)C[C@H](O)CC(C)(C)C)n(C)c2ccccc12	487549828	HVPPVQRONODPRZ-AWEZNQCLSA-N	316.445	3.290	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccn2ccnc2c1)c1ccc(N(C)C)cc1	810229073	RJBPJYOBQGPMTD-CYBMUJFWSA-N	323.400	3.283	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1nc(C)no1	817299030	SLBLHVGIQKNNJQ-CQSZACIVSA-N	301.390	3.222	10	20	DGCD	
CN(Cc1c(O)ccc(Cl)c1F)C[C@@H](O)Cc1ccccc1	816624646	BXCGQOFSONQMDH-ZDUSSCGKSA-N	323.795	3.220	10	20	DGCD	
COc1cc(C)cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O	811792603	PZOIYQDOJFRWNA-MAUKXSAKSA-N	317.429	3.243	10	20	DGCD	
C[C@H](CC(C)(C)O)NCc1ccc(N(C)C)cc1C(F)(F)F	824702931	UGQFECLFQSYLQH-LLVKDONJSA-N	318.383	3.411	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1Cl	825138794	XGCYTTGZWODATM-DLBZAZTESA-N	303.789	3.102	10	20	DGCD	
CC(C)n1ccnc1CN(C)c1ccc(OCCN(C)C)cc1	825509996	UEJFUZMOFAPUBC-UHFFFAOYSA-N	316.449	3.041	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c1	734070138	CFBDDOPICCKMBJ-HIFRSBDPSA-N	320.433	3.415	10	20	DGCD	
CC(C)CCC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	904036858	RPUITLQUTNPYEC-CYBMUJFWSA-N	301.333	3.040	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1ccn2C	734471927	WUBPDVPNOUEOCC-UHFFFAOYSA-N	321.424	3.483	10	20	DGCD	
C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cncs1	903448418	PBCDBRIQPWCAFZ-BBRMVZONSA-N	318.490	3.163	10	20	DGCD	
COc1ccc(/C=C/C(=O)NCc2ccc(N(C)C)cc2C)cc1	734403144	WZEBPBINABKTIS-KPKJPENVSA-N	324.424	3.399	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H]2CCCCN2CC)cc1	732229972	RXBJKMNABMUOOR-IBGZPJMESA-N	303.494	3.497	10	20	DGCD	
CC(=O)N1CC[C@H](N[C@@H]2CCc3cccc(O)c32)c2ccccc21	834692670	GVEYPYHUVFAAHH-DLBZAZTESA-N	322.408	3.467	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncnc1C1CC1	836497826	XJXYPVIHHZCGMS-UHFFFAOYSA-N	324.428	3.082	10	20	DGCD	
C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1O	841748034	GPLPMKLLCAMGGS-OCCSQVGLSA-N	317.820	3.370	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1	841837798	XUJFFNSVKJMLOH-ZMSDIMECSA-N	301.434	3.079	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C)[C@@H](CN)C2)cc1F	841100818	KXAPIIJVYUAAKJ-HOCLYGCPSA-N	307.457	3.089	10	20	DGCD	
COc1ccc(CN[C@@H](C(=O)O)[C@H](C)c2ccccc2)cc1C	849230542	IEHKPQMIRVPRKA-RDTXWAMCSA-N	313.397	3.350	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@](C)(O)c1cccs1	840933541	HQZYNTLOBQHJKK-QGZVFWFLSA-N	304.459	3.120	10	20	DGCD	
CC1CCN(c2ccc(CNC(=N)NC3CCC3)cc2)CC1	849006527	OCQDRTTVNPJOEX-UHFFFAOYSA-N	300.450	3.089	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](N2CCCC2)[C@H]1C	840946585	SFHULAKCPOXEOA-VQIMIIECSA-N	301.478	3.120	10	20	DGCD	
C[C@H](N[C@@H](CO)Cc1ccccc1)c1ccc(Cl)cc1O	841751542	HVQFRIAKDYVIPD-SWLSCSKDSA-N	305.805	3.300	10	20	DGCD	
CCC[C@@H](NC(=O)NCCc1ccc(N)cc1)c1ccccn1	841788260	FVXSKLXBUWPTKU-QGZVFWFLSA-N	312.417	3.047	10	20	DGCD	
Oc1cc2c(cc1CN1CCCc3cc(F)ccc31)OCO2	754746404	YFMAPZOQJYYCFT-UHFFFAOYSA-N	301.317	3.213	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cc(OC)no2)cc1	851717240	UXBVOYJYHPQURC-UHFFFAOYSA-N	303.406	3.161	10	20	DGCD	
Nc1ccc(Cc2noc(CC[C@H]3CC3(Cl)Cl)n2)cc1	854135038	WHODYCXPKWBMLP-JTQLQIEISA-N	312.200	3.369	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1cccs1)c1cc(F)cc(F)c1O	756593024	LCSBISQCLLOSSG-RFAUZJTJSA-N	313.369	3.290	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)CC(C)(C)O)c2C)c1	863161752	JEFWWZPEOOKMMB-UHFFFAOYSA-N	314.429	3.180	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC1CCCC1	763286623	CSSQCZPLUHEWNO-VIFPVBQESA-N	315.772	3.149	10	20	DGCD	
CCc1ccc(NC(=S)NCc2ccc(OC)cn2)cc1	766516589	JHFLKPOWXWMAIM-UHFFFAOYSA-N	301.415	3.139	10	20	DGCD	
Cc1cc(O)c(CNc2nnc([C@@H]3CCCO3)s2)cc1C	865296397	XEEXZYIBCNOFRW-ZDUSSCGKSA-N	305.403	3.324	10	20	DGCD	
CSc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)co1	865050255	CRFFGVNOOVBCJE-UHFFFAOYSA-N	308.378	3.137	10	20	DGCD	
Cc1ccc(C)c(OC[C@H](O)CN[C@H](C)c2ccccc2O)c1	879648899	FVSABJYJMPTMMX-HZPDHXFCSA-N	315.413	3.100	10	20	DGCD	
CC/C(C)=C(/C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	779853450	FQRGTPPQDVNQOH-NXVVXOECSA-N	316.445	3.480	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)C2CCCCCC2)c1O	774839442	ZRYAOTWVPQUMJL-UHFFFAOYSA-N	308.378	3.464	10	20	DGCD	
O=[N+]([O-])c1c(NCc2ccc(N3CCCC3)cc2)ccnc1F	881804614	MRJJVNSHDQEZOH-UHFFFAOYSA-N	316.336	3.341	10	20	DGCD	
CC(C)[C@H](CN[C@@H](C)c1cc(F)cc(F)c1O)c1ccnn1C	788258783	IWXVWLPOVCYDNC-FZMZJTMJSA-N	323.387	3.494	10	20	DGCD	
CCOc1cc(C)ccc1CNC(=O)c1ccc(C)c(O)c1O	780966216	BVEPTSIZXDLYHA-UHFFFAOYSA-N	315.369	3.043	10	20	DGCD	
C[C@H]1C[C@H](N2CCCC2)CN1Cc1cc2c(cc1O)CCCC2	795697250	CAJNXWKHSXNFNK-KXBFYZLASA-N	314.473	3.330	10	20	DGCD	
COc1cc(C)cc(CN2CCOC[C@H]2c2ccc(C)o2)c1O	894033013	WKCYLXXQFHAASK-HNNXBMFYSA-N	317.385	3.184	10	20	DGCD	
Cc1noc2ncnc(N(Cc3ccc(N(C)C)cc3)C3CC3)c12	799931501	VKYGMDDEUYRBFQ-UHFFFAOYSA-N	323.400	3.161	10	20	DGCD	
CC(C)(C)[C@H]1CN(Cc2c(O)ccc3ccncc23)CCO1	790410271	BNQARCUXTUNGQY-QGZVFWFLSA-N	300.402	3.187	10	20	DGCD	
CCCN(CC)C[C@@H](C)NCc1ccc(N2CCCC2)cc1	1323929169	KAYSOAFEYWCYMK-QGZVFWFLSA-N	303.494	3.497	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC[C@@H]2CNC[C@@H]2C1	1329036528	MXPBULWWQCUDOJ-LJIZCISZSA-N	300.446	3.227	10	20	DGCD	
COc1ccc(CNCCc2cccc(F)c2F)c(O)c1OC	1336715941	AWRFWRNHGOSQHX-UHFFFAOYSA-N	323.339	3.020	10	20	DGCD	
CCc1cccc(CN[C@](C)(C(=O)OC)c2ccccc2)c1O	1333368707	LNRWURZAMIAAIL-IBGZPJMESA-N	313.397	3.133	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CC[C@@H](C)C1	1344502307	HLBLIFLCXCKBOB-LLVKDONJSA-N	306.435	3.214	10	20	DGCD	
O=C(CCc1cccc(O)c1)NCc1ccc(N2CCCC2)cc1	1518913290	RVPIQADUHOBKLS-UHFFFAOYSA-N	324.424	3.241	10	20	DGCD	
CC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1cnn[nH]1	1576277604	RUSHJPHMRXOOCN-INIZCTEOSA-N	323.400	3.093	10	20	DGCD	
COc1cc(F)cc(CN2CCCc3cc(CN)ccc32)c1	1579157654	AOUIOTNXLXOLCK-UHFFFAOYSA-N	300.377	3.246	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(C)c(C(=O)O)[nH]2)cc1	1596288005	DQGMTAUMZMMULM-UHFFFAOYSA-N	315.417	3.157	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCO[C@@]3(CCSC3)C2)cc1C	151397902	HJFMBJUXUZZOBA-RDJZCZTQSA-N	307.459	3.153	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cnc2ccccn12	153333454	XJOCWVBPOYJRFJ-UHFFFAOYSA-N	308.429	3.422	10	20	DGCD	
O=C(COc1ccc(N2CCCC2)cc1)N1CCc2ccccc21	178192822	HWDRKMBPRPIUHN-UHFFFAOYSA-N	322.408	3.255	10	20	DGCD	
O=C(CSc1nccs1)Nc1nc2ccccc2s1	76395642	NBNIPONWLGWQOH-UHFFFAOYSA-N	307.425	3.484	10	20	DGCD	
C[C@H](NC[C@@H]1CCCC[C@@H]1C(=O)O)c1ccc(N(C)C)cc1	316310522	KLVDBCIKEFEJKH-QRTARXTBSA-N	304.434	3.294	10	20	DGCD	
C[C@@H]1CN(CCSc2ncc(C(C)(C)C)s2)CCO1	188325364	UZMKRKLBWOZNGX-LLVKDONJSA-N	300.493	3.253	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C)cc2O)C1	185657793	FJASGGPQGYOTMG-HFZMZTSTSA-N	309.475	3.431	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2cccnc12	180597880	RIIKAQUKEGEFQK-VQHVLOKHSA-N	306.321	3.298	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)c2ccccc2C)c1	182466235	VEPQYZREZHKTIR-SCLBCKFNSA-N	301.386	3.093	10	20	DGCD	
Cc1ccccc1NCCC(=O)NCc1ccc(N(C)C)cc1	198264031	LZEWFHNILZSDQS-UHFFFAOYSA-N	311.429	3.179	10	20	DGCD	
OCC1CCN(c2ccc(CNC[C@H]3CC=CCC3)cc2)CC1	238171758	GGXBBDNBIOBFKB-KRWDZBQOSA-N	314.473	3.341	10	20	DGCD	
CC[C@@H](NCc1cccc(N(C)C)n1)c1ccc(N(C)C)cc1	90851802	MOFJQYBCDJTIEM-GOSISDBHSA-N	312.461	3.455	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@@H](CCO)c2ccccc2)c1	93442739	PMRONMCRSULKMX-SFHVURJKSA-N	315.413	3.346	10	20	DGCD	
C[C@@H](CCN[C@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	297126998	YUWSGZFQOUBFCK-JSGCOSHPSA-N	320.433	3.272	10	20	DGCD	
CO[C@@H]1CCCC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C	352080363	XVTBKHTVGDNIDQ-CRAIPNDOSA-N	314.429	3.308	10	20	DGCD	
Cc1nc(Cl)cc(NCc2ccc(N3CC=CC3)cc2)n1	265850049	PTYZGBOYCKIICJ-UHFFFAOYSA-N	300.793	3.427	10	20	DGCD	
COc1cc(Cl)cc(CN[C@]2(C)CCO[C@@H]2C2CC2)c1O	273703678	DYSQKDMQERFQCJ-HZPDHXFCSA-N	311.809	3.101	10	20	DGCD	
CC[C@@](C)(CNCc1ccc(N2CCCCC2)cc1)C(=O)O	277998129	NYLBVDWSEZISOF-SFHVURJKSA-N	304.434	3.267	10	20	DGCD	
CN(C)c1ccc(CNCCC2(O)CCC2)c(C(F)(F)F)c1	284180891	XQNCBXCAWXMSEA-UHFFFAOYSA-N	316.367	3.166	10	20	DGCD	
Cc1noc([C@@H]2CCCCN2Cc2cccc(Cl)c2O)n1	289936491	WVJFAJKCDATSRR-ZDUSSCGKSA-N	307.781	3.464	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c(O)c1C	285843422	YPGFTKMSHBASOD-JCKWVBRZSA-N	318.461	3.353	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2cccnc2-n2cccn2)c(O)c1	293829387	SIWBIUDTWAYUII-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2CCc3c[nH]nc3C2)c1O	808701789	IRFJNAOPXYMFIN-GWCFXTLKSA-N	305.809	3.285	10	20	DGCD	
CCOCc1cc(CNCCC2(OC)CCC2)ccc1OC	292907411	HCLJUEAIYFOSIW-UHFFFAOYSA-N	307.434	3.281	10	20	DGCD	
CC[C@@H]1CC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1	806132963	DNEYRTOWOXCZOP-MJGOQNOKSA-N	302.462	3.174	10	20	DGCD	
CCCN(Cc1nc(CC(C)C)no1)Cc1ccccc1O	299569361	BGOWJENENDIAGJ-UHFFFAOYSA-N	303.406	3.386	10	20	DGCD	
O=C1CCCN1c1cccc(CN[C@H]2CCc3cccc(O)c32)c1	296200187	YYJUWCNQDDOLKG-KRWDZBQOSA-N	322.408	3.296	10	20	DGCD	
Cc1nnc(CCN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)s1	391840716	MJFFFUAWNGVZLU-ZYHUDNBSSA-N	303.431	3.241	10	20	DGCD	
CC[C@H](CCO)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	815587449	JWNPCQSVCALHQA-WDEREUQCSA-N	305.340	3.470	10	20	DGCD	
CN(C)c1ccc(OCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1	810002002	PUKJQOFNVNJKOW-MAUKXSAKSA-N	316.445	3.313	10	20	DGCD	
CCOC(=O)/C(=C\c1ccc(N(C)C)cc1)c1ccnc(F)c1	812246567	OKFFIZPCGRXHKL-WJDWOHSUSA-N	314.360	3.390	10	20	DGCD	
CCN(Cc1ccc(N2CCOCC2)cc1)c1cccc(O)c1	827908252	NCYJLPWCUJULEC-UHFFFAOYSA-N	312.413	3.255	10	20	DGCD	
C[C@@H](NCc1ccc(CCO)cc1)c1cc(Cl)ccc1O	903404292	ZJXCRDOCAIDAOQ-GFCCVEGCSA-N	305.805	3.431	10	20	DGCD	
CC(C)C[C@](C)(CNCc1c(O)ccc(Cl)c1F)C(=O)O	900053435	HYTIYWVRWRYGMH-OAHLLOKOSA-N	317.788	3.411	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@](C)(O)c2cccc(F)c2)c1	903310303	PUYJFKNWZWRGDM-SGTLLEGYSA-N	319.376	3.098	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCC[C@@H]3C[C@H]23)c(C)n1-c1ccccn1	838260134	IFMLDMNFKDUOLN-PVAVHDDUSA-N	309.413	3.408	10	20	DGCD	
Nc1ccc(CNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1	837302764	FWRDYZFXTPXDPE-ICSRJNTNSA-N	306.409	3.179	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1	839683672	IQITYTRUKKNAGW-APWZRJJASA-N	311.381	3.211	10	20	DGCD	
COc1ccc(N(C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1	844353406	VZIXHXWPFWVTIA-AWEZNQCLSA-N	320.433	3.388	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1nccnc1C	840895168	WAHXZJCXNCKPCW-ZBFHGGJFSA-N	312.461	3.441	10	20	DGCD	
CC(C)NC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	917007274	WZLFMFATPXLXQD-UHFFFAOYSA-N	315.417	3.466	10	20	DGCD	
FC(F)CN1CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1	841893456	FHTBQVHLTNELAR-INIZCTEOSA-N	323.431	3.106	10	20	DGCD	
O=C(Cn1cncn1)Nc1ccc(N=Nc2ccccc2)cc1	912584475	DWTBENMFORJYOZ-UHFFFAOYSA-N	306.329	3.332	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCNC1	841033490	OZKZBUTVMAWIDA-WMZOPIPTSA-N	301.478	3.155	10	20	DGCD	
COc1ccc(CNCCCN2C[C@H](C)C[C@@H](C)C2)cc1C	915678507	PNGGMZQCIGMONF-HZPDHXFCSA-N	304.478	3.461	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cc(C)c(C(=O)O)o1	846234330	CXZMGTJDDKUZKG-UHFFFAOYSA-N	301.342	3.248	10	20	DGCD	
CC[C@H](C)[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	746724439	GCFKIYHHWUAOGV-KBPBESRZSA-N	303.450	3.303	10	20	DGCD	
CC(C)[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1	840761217	UBOBNSKSGVRSBP-QGZVFWFLSA-N	324.415	3.326	10	20	DGCD	
CCN(C)c1ccc(Cn2c(-c3ccccc3)noc2=O)cc1	741733416	IWEKYAITNUYVLZ-UHFFFAOYSA-N	309.369	3.008	10	20	DGCD	
CCN(CC(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1	754419058	DQXXJCGJEPSKFP-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
CC(C)(C)OCCCNCc1cc(Cl)cc([N+](=O)[O-])c1O	850368269	AZAZXABDZYVXAQ-UHFFFAOYSA-N	316.785	3.249	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H]2CCCN(CC3CC3)C2)c1O	853239251	CVWNBAXPMOPASN-GDBMZVCRSA-N	318.461	3.173	10	20	DGCD	
COc1ccc(CCCN(C)Cc2c(O)cccc2OC)cc1	768921483	WYKHKQMPRHBJAU-UHFFFAOYSA-N	315.413	3.474	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F	862384247	SLNUBBDOWQUKMZ-FDQGKXFDSA-N	324.415	3.156	10	20	DGCD	
CCN(Cc1nc(O)c2ccccc2n1)Cc1ccc(C)cc1O	876532132	YJEDNGFROVLBAT-UHFFFAOYSA-N	323.396	3.372	10	20	DGCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CC=CCC1	877307503	IAAZWIWLNAUDBQ-KRWDZBQOSA-N	314.473	3.436	10	20	DGCD	
CCC[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1	773614548	ANISIEGCVJPZKU-PBHICJAKSA-N	319.449	3.024	10	20	DGCD	
COCCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1	773014981	MCPIMUZKYKHSIW-CQSZACIVSA-N	304.434	3.137	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)cc(Cl)c1O	771504760	MNDCSNZEHZYLNM-DUXPYHPUSA-N	323.707	3.248	10	20	DGCD	
CCO[C@H](C)c1nc(-c2cn(-c3ccc(N)cc3)nn2)cs1	887486327	LXGIFQGUKURMKH-SNVBAGLBSA-N	315.402	3.071	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@@H](C)c2c(O)cccc2F)cc1	886596252	ABBIVEPGLHWQPX-ZFWWWQNUSA-N	303.377	3.094	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCCC(=O)c2ccccc2)cc1	899983876	UMCYORIXKHTOOU-UHFFFAOYSA-N	324.424	3.422	10	20	DGCD	
COCC[C@@H](Cc1ccco1)NCc1ccc(N(C)C)cc1	784625968	SEYPLFVGBKIADZ-INIZCTEOSA-N	302.418	3.083	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@H](NCc2ccc(N(C)C)cc2C)[C@@H]1C	792977620	MMRXBNAEWWNXAE-VKJFTORMSA-N	318.461	3.128	10	20	DGCD	
CC(C)OCCNCc1ccc(N(C)C)cc1C(F)(F)F	793077383	OTKXKVJRCXVLCY-UHFFFAOYSA-N	304.356	3.286	10	20	DGCD	
COc1ccc(CN[C@@H]2CCN(C(=O)CC(C)C)[C@@H]2C)cc1C	985899167	NONINSWWQGXWJZ-NVXWUHKLSA-N	318.461	3.129	10	20	DGCD	
COc1ccc(CN[C@H]2CCCN(C(=O)C=C(C)C)C2)cc1C	998452244	IGWQLULKMXBLDL-KRWDZBQOSA-N	316.445	3.050	10	20	DGCD	
CN1c2ccccc2C(=O)N[C@H]1c1ccc(N2CCCC2)cc1	1317944940	XUELOLWARTYUDA-GOSISDBHSA-N	307.397	3.165	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CC(C)(C)C3(C)C)ccc21	1323499324	ZLJAFJMKKRYYDM-UHFFFAOYSA-N	315.461	3.399	10	20	DGCD	
C[C@@H](NC(=O)NC[C@H]1CCc2ccccc21)c1ccccc1O	1336398851	BANRFSROILSTEC-UKRRQHHQSA-N	310.397	3.482	10	20	DGCD	
C[C@@H]1CN(c2nnc(-c3sccc3O)n2C)CC(C)(C)C1	1262854615	QQGFYGDSNHFRCN-JTQLQIEISA-N	306.435	3.122	10	20	DGCD	
Cc1ccc(F)c(CN(C)c2ccc(OCC(=O)O)cc2)c1F	1600428798	NOPFMTATCWLTEH-UHFFFAOYSA-N	321.323	3.373	10	20	DGCD	
COc1ccc(CN[C@@H](C)CNC(=O)OC(C)(C)C)cc1C	227687770	LCCLELDPMWUDDA-ZDUSSCGKSA-N	308.422	3.006	10	20	DGCD	
Cc1ncccc1/C=C/C(=O)N1CC[C@@H](C(=O)O)c2ccccc21	1594471240	UPKSZGDZLCGCFS-ROJDOSBLSA-N	322.364	3.008	10	20	DGCD	
COc1ccc(F)cc1N[C@H](C)c1cc(C(=O)O)ccc1O	1599584964	ZOFKTNFUKSTWQK-SECBINFHSA-N	305.305	3.411	10	20	DGCD	
CCC[C@](C)(NCc1ccc2c(c1)CCCN2CC)C(=O)O	1776750921	QCQYBEBDYSOJHL-SFHVURJKSA-N	304.434	3.192	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@]2(C)CCCS2)c1	153409525	MOHKOBCJPWIGSJ-MEDUHNTESA-N	324.446	3.047	10	20	DGCD	
CCn1ccc(NCc2cc(Br)cc(F)c2O)n1	715814881	TWJFOESOFFJTKV-UHFFFAOYSA-N	314.158	3.122	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C(C)(C)C)n[nH]1	174953898	VRFWQTWWCQEFEA-UHFFFAOYSA-N	315.417	3.465	10	20	DGCD	
Cc1cccc(CC(=O)NCc2ccc(N3CCCC3)cc2)c1	171192275	KQWFCNYDXTYQHD-UHFFFAOYSA-N	308.425	3.454	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)[nH]1	1263714737	WNOZTJDEMPTIQT-UHFFFAOYSA-N	305.809	3.396	10	20	DGCD	
C[C@@H](NCC1(CO)CC1)c1ccc(N2CCCCC2)c(F)c1	305117069	FWFSAZHBFNZKSA-CQSZACIVSA-N	306.425	3.239	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C[C@@H](O)c2ccco2)c1	185836191	MIEZQPCLGDNONR-BFQNTYOBSA-N	305.374	3.157	10	20	DGCD	
C[C@@H]1CCCCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	315515383	ZRMHGIPTEHTRKI-YPUOHESYSA-N	304.346	3.462	10	20	DGCD	
CN(Cc1ccc(C(=O)O)cc1)Cc1cc(Cl)ccc1O	86724976	BRCJGHPJXXFIJB-UHFFFAOYSA-N	305.761	3.376	10	20	DGCD	
CCSCC[C@@H](C)NCc1ccc(N2CCOCC2)cc1	135291283	AMECULMFNIXDSG-OAHLLOKOSA-N	308.491	3.145	10	20	DGCD	
CN(Cc1ccccc1O)c1ccc([N+](=O)[O-])c2cccnc12	92689346	AXWGJBUNRIZHGY-UHFFFAOYSA-N	309.325	3.485	10	20	DGCD	
Cc1noc(C)c1/C=C1/SC(=S)N(c2cccnc2)C1=O	255064012	IJXPWLVZQLFJKJ-WUXMJOGZSA-N	317.395	3.092	10	20	DGCD	
C[C@H](NC[C@@H](O)c1ccccc1F)c1ccc(N(C)C)cc1	268767386	CLSCURWQLZSVMA-SCLBCKFNSA-N	302.393	3.276	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCCC1(F)F	450050995	VHWNCIYSKCKSBB-CYBMUJFWSA-N	324.371	3.304	10	20	DGCD	
C[C@@H](NCC1([S@@](C)=O)CCC1)c1cc2c(cc1O)CCCC2	280874134	AKRGKDLLYNGSLY-MCMMXHMISA-N	321.486	3.223	10	20	DGCD	
CN(C)C[C@@H](NCc1ccccc1O)c1ccc(Cl)cc1	282953205	XXKYCRRVSWLQLA-MRXNPFEDSA-N	304.821	3.438	10	20	DGCD	
C[C@@H]1COCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O	285660374	ZAZCSHQZJIAJPC-NXEZZACHSA-N	304.217	3.461	10	20	DGCD	
CC[C@@H](N[C@@H]1CCc2nc(C)ncc2C1)c1ccc(N(C)C)cc1	370670816	HRHMBYIJZCFJKX-IEBWSBKVSA-N	324.472	3.449	10	20	DGCD	
CCOCC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	281531211	VXRNGXMEEGXYJF-UHFFFAOYSA-N	316.445	3.060	10	20	DGCD	
C[C@H](N[C@H]1CC[C@@H](CO)C1)c1ccc(N2CCCCC2)cc1	296590639	UZKYCWNSJYBBQX-JZXOWHBKSA-N	302.462	3.489	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)c2nnnn2C2CC2)c1O	808716440	NOLYMJIMNILMQT-ZJUUUORDSA-N	321.812	3.087	10	20	DGCD	
CCc1nnc(CN[C@H](C)c2ccc(N(C)CC)cc2)s1	290171006	MRLHAUJXVDQBSL-GFCCVEGCSA-N	304.463	3.407	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4OC)cc1	809698094	VTCQPKOGIVFTNN-PRHYDEJPSA-N	314.473	3.388	10	20	DGCD	
CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1O	816516932	XKXMDUBAXGZVIW-CYBMUJFWSA-N	301.386	3.317	10	20	DGCD	
COc1cc(C)cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O	811781143	YYTZGTAXFNGBIV-RHSMWYFYSA-N	305.418	3.099	10	20	DGCD	
COc1ccc(O)c(CNc2cc(Br)ccn2)c1	811806443	WXNXQMYUYQFGAQ-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CO)C2CCCC2)cc1F	810178385	ODILJJGIUYDELW-QGZVFWFLSA-N	308.441	3.313	10	20	DGCD	
Cc1cc(N)cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	817979906	FYYGKYXLOFBZJH-LLVKDONJSA-N	301.346	3.042	10	20	DGCD	
COc1ccncc1CN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	815629234	XSXQTWKWHNJKTA-GWCFXTLKSA-N	302.349	3.273	10	20	DGCD	
CCOC(=O)CCN(Cc1cc(Cl)c(F)cc1O)C1CC1	816497033	JYYUMRMNHQLSKE-UHFFFAOYSA-N	315.772	3.102	10	20	DGCD	
CC(=O)NCc1ccc(NCc2cc(Cl)c(F)cc2O)cc1	816526905	SEGPNADZOHTMDG-UHFFFAOYSA-N	322.767	3.433	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCc2cc(F)ccc2F)cc1	729494954	IBZYPDXPBMEHIB-UHFFFAOYSA-N	319.355	3.030	10	20	DGCD	
COc1ccc(OCCN(C)Cc2ccc(N(C)C)cc2)cc1	726980657	DQAVZJBCDIAQBO-UHFFFAOYSA-N	314.429	3.272	10	20	DGCD	
C/C(Cl)=C\C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	901176156	NCYVMESSZNTOHA-TZIYXEQSSA-N	309.793	3.042	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@]3(C)CCC[C@H]3C)CC2)cc1	822197191	PHCZNXAWGYTSLM-DNVCBOLYSA-N	316.445	3.170	10	20	DGCD	
CC[C@H](CNCc1ccc(N(CC)CC)cc1)N1CCCC1	915228212	IVUKRVOLNQAHEI-GOSISDBHSA-N	303.494	3.497	10	20	DGCD	
Cc1cc(CN2C[C@@H](C)[C@@H](C(=O)O)C2)c(O)c(C(C)(C)C)c1	832882527	KABYNORWQPVXBG-OCCSQVGLSA-N	305.418	3.151	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CS[C@@H](C)C1	840417347	IBPMHDXUQBOFIH-JSGCOSHPSA-N	308.447	3.208	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCC[C@@H]([S@](=O)CC)C2)c1O	848897415	ILYSMEPHQAYYRG-WHSLLNHNSA-N	309.475	3.124	10	20	DGCD	
O=C(O)[C@@H](CC1CCC1)NCc1cc(Cl)cc(Cl)c1O	841819611	YHLWVKJHPIXLHU-GFCCVEGCSA-N	318.200	3.432	10	20	DGCD	
CCc1cccc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1O	848888113	MFWUULZCCXDRKK-ZWNOBZJWSA-N	303.324	3.106	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](CC2CC2)C(=O)O)cc1F	844295026	YPVFGWGJVYDSHE-OAHLLOKOSA-N	322.424	3.262	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O	840950417	IBGSEJSNTPSKLN-QRVBRYPASA-N	302.462	3.186	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)Cc2c(C)noc2C)c1O	846148399	YSTLKMXTLIOAQE-QWRGUYRKSA-N	304.390	3.287	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC1(C)CC1	840316754	SHOCMAKLWAFSMG-AWEZNQCLSA-N	303.450	3.091	10	20	DGCD	
COc1cc(C)cc(CN2CC3(CCOCC3)C[C@@H]2C)c1O	842636321	AQGYDVKCYMIMAZ-AWEZNQCLSA-N	305.418	3.100	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2snnc2C)cc1	844269457	GWNCKNBANNVHED-UHFFFAOYSA-N	304.463	3.325	10	20	DGCD	
CN(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1	757718360	RHUFAKCMGLVQSN-UHFFFAOYSA-N	304.777	3.424	10	20	DGCD	
FC(F)c1ccnc(CNCc2ccc3c(c2)CCCO3)n1	922128935	NCOSLAPXZDWVJU-UHFFFAOYSA-N	305.328	3.029	10	20	DGCD	
C[C@@H](Cc1cnccn1)N[C@H](C)c1cc2c(cc1O)CCCC2	756495482	RQCDGMGXXGPOFJ-UONOGXRCSA-N	311.429	3.343	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2cn(C)cn2)cc1F	925014421	QFHUSZYFOPNKFJ-ZDUSSCGKSA-N	304.413	3.256	10	20	DGCD	
CCc1cc(CN[C@@H](C)c2ccc(Br)cc2O)n[nH]1	756574058	MMYFWSKIAMOJJA-VIFPVBQESA-N	324.222	3.291	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@]2(C)C(=O)O)cc1F	756390262	TZPAZKZSFXQVBE-AEFFLSMTSA-N	322.424	3.405	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@@H](O)[C@@H](C)c2ccccc2)c1	850412123	SYQLCDPZQYNMCJ-IFXJQAMLSA-N	315.413	3.045	10	20	DGCD	
COc1cc(CNc2cc(C)n(C)n2)c(O)c(C(C)(C)C)c1	850222299	UVQKSJGDKNLLAK-UHFFFAOYSA-N	303.406	3.352	10	20	DGCD	
C[C@@H]1C[C@H](NCC[S@@](=O)C(C)(C)C)c2c(O)ccc(F)c21	756588138	FLJJDNGVAYIDMZ-SXUOVDMSSA-N	313.438	3.216	10	20	DGCD	
CC[C@@H](COC)N[C@@H](C)c1cc(Br)c(F)cc1O	756596164	YGKXGFZZMXOGMQ-IUCAKERBSA-N	320.202	3.369	10	20	DGCD	
C[C@H](NCCOc1cccnc1)c1cc2c(cc1O)CCCC2	756571656	IGIMTHRBOAUGDA-AWEZNQCLSA-N	312.413	3.396	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCOC[C@H](C)C3)c2c1	753987858	YESQSVUPSQRDMW-CYBMUJFWSA-N	301.386	3.022	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccc[nH]1	760875721	YLIUYTAUUPUVNT-ZDUSSCGKSA-N	301.390	3.403	10	20	DGCD	
C[C@H](NCCC(F)(F)F)c1ccc(N2CCOCC2)cc1	766525860	CQHSVPFATGAAGT-LBPRGKRZSA-N	302.340	3.126	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1O	868165223	ZYEJTECMRHLWQG-XFBWCDHKSA-N	314.360	3.448	10	20	DGCD	
CCS(=O)(=O)Cc1ccc(NCc2c(C)cccc2O)cc1	877577399	WYAIUPIRGVXQPI-UHFFFAOYSA-N	319.426	3.247	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCc2ccc(F)cc21	779513123	DTJGPTLSYMBETO-HTUWBFOXSA-N	313.328	3.054	10	20	DGCD	
CCSCC[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1	877063813	KPILIZYDVNIRHU-OAHLLOKOSA-N	322.518	3.269	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H](O)c1cc(F)cc(Cl)c1	877482057	BLDUNSRZFFUQFF-INIZCTEOSA-N	309.768	3.316	10	20	DGCD	
CCCCn1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C	779538370	YUERKJRFYCOTQP-SOFGYWHQSA-N	315.373	3.055	10	20	DGCD	
CN(C)c1ccc([C@@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1F	877858175	IDFUDVSNHMNYAF-HNNXBMFYSA-N	321.302	3.024	10	20	DGCD	
C[C@H](NCC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1	775834716	PIDMRCQTIPDWMY-RVKKMQEKSA-N	317.477	3.098	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)[C@H]1C	877594567	VGRHNYYHXOMJJL-OWCLPIDISA-N	302.462	3.124	10	20	DGCD	
CCCCCCC(=O)NCc1ccc(N2CCN(C)CC2)cc1	881850057	MCLAQSBJUUQSCZ-UHFFFAOYSA-N	317.477	3.025	10	20	DGCD	
CC[C@H](N[C@H](CO)c1ccccc1OC)c1ccccc1O	775523098	GFSWFPHYXZYEDK-JKSUJKDBSA-N	301.386	3.175	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCO[C@H](Cc3ccccc3)C2)c1	776294754	VHAZSSFJBGOICP-LJQANCHMSA-N	311.425	3.453	10	20	DGCD	
C[C@@H](NCc1cc2c(nc1O)CCCC2)c1c(O)cccc1F	886650531	YMWQVBUZASCYHZ-LLVKDONJSA-N	316.376	3.362	10	20	DGCD	
CCN1CCN(c2ccc(CNC3CC(C)(C)C3)cc2F)CC1	788577427	MLYMSNCDFIGROI-UHFFFAOYSA-N	319.468	3.246	10	20	DGCD	
COc1ccc(N(C)C[C@@H](C)NC(=O)OC(C)(C)C)c(OC)c1	785482303	WMTQAVVZMQNJJS-GFCCVEGCSA-N	324.421	3.053	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCN1C(C)(C)C	896058161	PGLDPHSEAIQZQM-OAHLLOKOSA-N	304.434	3.004	10	20	DGCD	
COCC[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F	792951988	NDZXLSPUXVHGOY-NSHDSACASA-N	304.356	3.286	10	20	DGCD	
CN(C)c1ccc(CN[C@](C)(CO)C2CC2)c(C(F)(F)F)c1	793051277	MNOKYQRUKLVEEV-OAHLLOKOSA-N	316.367	3.022	10	20	DGCD	
CC[C@@H](Nc1cccc(C(N)=O)c1OC)c1ccc(C)cc1O	794813540	ALDXVZAKYXSQMY-CQSZACIVSA-N	314.385	3.371	10	20	DGCD	
CC[C@H](C)CC[C@H](O)CC(=O)N[C@@H](C)c1cc(OC)ccc1O	793690334	VFFODAZFXTVHCQ-IHRRRGAJSA-N	323.433	3.155	10	20	DGCD	
CC[C@@H](NC[C@@H](O)COc1ccccc1)c1ccc(F)cc1O	796680636	XJZHWQYZCNCHJB-RHSMWYFYSA-N	319.376	3.012	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccccc1O)c1ccc(F)cc1	1337707462	KGQLFYNSUKGXQW-HNNXBMFYSA-N	302.349	3.482	10	20	DGCD	
CS[C@@H]1CCC[C@@H](NC[C@H](N)c2ccc(N(C)C)cc2)C1	1579370394	QWCLZAFMKXYESQ-OIISXLGYSA-N	307.507	3.016	10	20	DGCD	
CCC(C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1	158554089	ODIXLYXDSMAVBS-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1	151547242	KENFHPQFNBLACR-CQSZACIVSA-N	320.452	3.455	10	20	DGCD	
Cc1ccc(NC2=NC(=O)/C(=C/c3cnn(C)c3)S2)c(C)c1	208307950	TUWXPRLAZJOTHX-AUWJEWJLSA-N	312.398	3.119	10	20	DGCD	
COc1cccc(NNC(=S)Nc2ccc(C)c(F)c2)c1	7401901	BUZOGHNEQVEMMF-UHFFFAOYSA-N	305.378	3.456	10	20	DGCD	
CCc1nc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)s1	50356741	QIUAPPCUXDQAAG-UHFFFAOYSA-N	321.421	3.149	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(SC)c2)c1	103529397	PTZNSQDLGKBNPT-JTQLQIEISA-N	318.398	3.009	10	20	DGCD	
CCc1sc(C(=O)NCc2cccc(OC)c2O)cc1C	68488876	RIEQRSNCNOSCRC-UHFFFAOYSA-N	305.399	3.263	10	20	DGCD	
COc1ccc(N2CCC(Nc3nc(C)cc(C)n3)CC2)cc1	301195818	UIBXFFYKMITCJE-UHFFFAOYSA-N	312.417	3.183	10	20	DGCD	
CCc1nc(CCN[C@@H](C)c2cc(OC)ccc2O)cs1	185310722	MRUHBSIFSMWYHX-NSHDSACASA-N	306.431	3.313	10	20	DGCD	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)c1	182476626	FEKYPDMEACWHQI-UHFFFAOYSA-N	321.398	3.209	10	20	DGCD	
C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccccc1O	183649054	BHIVBPBJYDLDPO-ZDUSSCGKSA-N	314.385	3.032	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2sc(C)nc2C)c1	185402798	GYBHXOAAEWXVSC-SNVBAGLBSA-N	306.431	3.367	10	20	DGCD	
CCOC(=O)N1CC[C@H](N[C@@H](CC)c2ccc(N(C)C)cc2)C1	186452651	HMGFAFKMNBAYSE-RDJZCZTQSA-N	319.449	3.024	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCOc2ccc(Cl)cc21	255339609	YYRGEDSCIQGNMR-RJRFIUFISA-N	318.735	3.313	10	20	DGCD	
C[C@H](N[C@H](C)CCN(C)C)c1ccc(Br)cc1O	273560499	IARBIMPISYMTLC-MNOVXSKESA-N	315.255	3.146	10	20	DGCD	
COc1ccc(O)c(CN(C)C[C@H]2OCCc3ccccc32)c1	271734300	OCQINZMNEGMYJD-LJQANCHMSA-N	313.397	3.147	10	20	DGCD	
COc1cc(N(C)Cc2ccnn2C(C)C)cc(OC)c1OC	280332949	QEFCSMNZMQQCLC-UHFFFAOYSA-N	319.405	3.126	10	20	DGCD	
C[C@H]1C[C@H](N2CCCC2)CN1Cc1cc(Cl)cc(F)c1O	809703952	SEIPMMOIBRPFRA-FZMZJTMJSA-N	312.816	3.243	10	20	DGCD	
CC[C@@H]1C[C@@H](C)CN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	399715001	BMIIMFCDYDDBTQ-BVKQBWKVSA-N	304.346	3.317	10	20	DGCD	
Cc1cccc(CNCCCNC(=O)/C=C\c2ccccc2)c1O	800545146	WZNYAIHVAQKTSB-QXMHVHEDSA-N	324.424	3.010	10	20	DGCD	
C[C@H](NCCc1ccc(N)cc1)c1ccc2c(c1)CCC(=O)N2	817956237	UODWRXZVRHJBMH-ZDUSSCGKSA-N	309.413	3.047	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CNC2)c1cc(F)cc(F)c1O	817967666	AGXAPKNRHYPUNV-JTQLQIEISA-N	304.340	3.124	10	20	DGCD	
CN(C)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1	810000746	LQVNACLMMIKMBD-UHFFFAOYSA-N	306.312	3.048	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCC(C)(C)COC)cc1	813591215	JMSZNPIXEJVQDD-UHFFFAOYSA-N	321.465	3.005	10	20	DGCD	
CS[C@H]1CCN(Cc2ccc(Br)cc2O)C1	826048746	LKKVQWDGMWUZIU-NSHDSACASA-N	302.237	3.092	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1CSc2ccccc21	735579392	GHJJVEPZMBPJTC-CYBMUJFWSA-N	300.383	3.038	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H]2CCCC[C@]2(C(=O)O)C1	901913304	HJGTVPIFHMJRDA-LPHOPBHVSA-N	316.445	3.138	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832279616	KUDPQHKWRSOUAE-QGPMSJSTSA-N	317.477	3.085	10	20	DGCD	
CCCCNc1ccccc1C(=O)NCc1ccc(O)cc1O	910951686	LIYIFCRLZANKMA-UHFFFAOYSA-N	314.385	3.240	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H]2CCS[C@H]2C)c1O	843435200	RBFWGAAXZDVSPV-JOYOIKCWSA-N	316.264	3.447	10	20	DGCD	
Cc1ccc2oc(NC[C@H](N)c3ccc(N(C)C)cc3)nc2c1	842268972	CZUYDFSSGXRPHM-HNNXBMFYSA-N	310.401	3.314	10	20	DGCD	
COc1ccc(C[C@H](C)NCc2ccc(N(C)C)c(F)c2)cn1	840718795	BQUHTKKNHZVEMS-ZDUSSCGKSA-N	317.408	3.016	10	20	DGCD	
C[C@H]1CC2(CCOCC2)CN1Cc1ccc(N(C)C)c(F)c1	843431541	GXTDZPNTSKJQHY-AWEZNQCLSA-N	306.425	3.283	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCC[C@H]([S@@](=O)CC)C2)c1O	848897416	ILYSMEPHQAYYRG-XFQAVAEZSA-N	309.475	3.124	10	20	DGCD	
COC(=O)c1cc(CN(C)c2ccc(OC)c(OC)c2)oc1C	920418349	MBXYQIXTIQZIIG-UHFFFAOYSA-N	319.357	3.028	10	20	DGCD	
C[C@H](NCC1(N)CCCC1)c1ccc(Br)cc1O	854224081	VNJFQVPZAWZAOR-JTQLQIEISA-N	313.239	3.077	10	20	DGCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1C	758772896	DQAIJVJJQHAULA-UHFFFAOYSA-N	319.382	3.012	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1O	756797309	YLUNFJPRLKJPEQ-VIFPVBQESA-N	302.286	3.202	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCN3CCCC[C@H]23)c2c(O)ccc(F)c21	756431620	OHSBVKYHPKXZSW-REBRKWNGSA-N	304.409	3.296	10	20	DGCD	
CN(C)c1cccc(CNC(=S)Nc2cccc(Cl)c2)n1	754691181	HJQGQSNLOPAQKU-UHFFFAOYSA-N	320.849	3.288	10	20	DGCD	
Nc1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@H]32)cc1	859593936	LLRZNQKFFAXACH-BRWVUGGUSA-N	312.800	3.124	10	20	DGCD	
C[C@@H](NCC1(O)CCCC1)c1ccc(Br)cc1O	756575338	PGABZHGCBVNGHO-SNVBAGLBSA-N	314.223	3.110	10	20	DGCD	
C[C@H]1C[C@@H]1c1nnc(NCc2c(O)cccc2Br)o1	865294612	PYPFNJYMRXXDOU-YUMQZZPRSA-N	324.178	3.273	10	20	DGCD	
C[C@@H](NC(=O)NCC1(N(C)C)CCCCC1)c1ccccc1O	868015324	USTQWBSBPBFYNU-CQSZACIVSA-N	319.449	3.017	10	20	DGCD	
COc1ccc2c(c1)CCCCN2C(=O)/C=C/c1cccnc1	766053515	VKCPDBJQQVYARP-JXMROGBWSA-N	308.381	3.473	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC(OC(C)C)CC2)c1O	761191897	FAXWTYZZZFAYQJ-UHFFFAOYSA-N	313.825	3.444	10	20	DGCD	
Cc1cc(CNC(=O)CCC(C)(C)O)c(C)n1-c1ccccc1	863165799	OFOWYVLLDOFLPP-UHFFFAOYSA-N	314.429	3.261	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CSCc2csc(C)n2)c1	1118948070	WWNNBRWEZLUCCW-UHFFFAOYSA-N	322.455	3.015	10	20	DGCD	
COCc1ccccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773012546	UYTRUWUQXYENOY-CQSZACIVSA-N	312.413	3.390	10	20	DGCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccsc1	876548840	VENSZMALNZTZOY-UHFFFAOYSA-N	316.470	3.341	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1n1ccnc1	775738246	XFUNCAWPVZPHIU-NHYWBVRUSA-N	323.799	3.464	10	20	DGCD	
Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N)cc2)s1	1120681054	DKMVKDZTUQIZJG-NSHDSACASA-N	318.446	3.245	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@@H](CC)c1cc(Cl)ccc1O	775541004	RRBIBQNERVHPPE-ZDUSSCGKSA-N	312.841	3.249	10	20	DGCD	
COc1ccc2c(c1)CCCN2C(=O)/C=C/c1cnccc1C	783840102	UYDIDMFEEBGWSZ-VMPITWQZSA-N	308.381	3.391	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O	894312644	LXZSZCGUHJFOIW-KBRIMQKVSA-N	305.418	3.002	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]([C@@H](C)O)C2)cc1F	780892555	LIIIWFFRTVURPZ-ZBFHGGJFSA-N	308.441	3.265	10	20	DGCD	
CSc1ccc(CCNC(=O)c2ccc(C)c(O)c2O)cc1	798041675	AYRMWADYZVKKKX-UHFFFAOYSA-N	317.410	3.101	10	20	DGCD	
CCOc1cccc(CN(CCOC)[C@@H]2CC[C@@H](C)C2)c1O	792192313	HQBYSARVRFZAAN-GDBMZVCRSA-N	307.434	3.428	10	20	DGCD	
CO[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	1335890321	XANLVTMOMXTNGZ-QZTJIDSGSA-N	316.445	3.108	10	20	DGCD	
COc1ccc(CNCCN(C)C(=O)/C=C\C(C)(C)C)cc1C	1753176105	FAUUTLSMOZQWGZ-KTKRTIGZSA-N	318.461	3.154	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1ccc(F)c(C(F)(F)F)c1	158625553	FUJSRQOWBIGASB-XBXARRHUSA-N	307.293	3.333	10	20	DGCD	
CCCC(=O)NC[C@@H]1CCCN(Cc2cc(C)cc(C)c2O)C1	164264806	WMVWBKJDUWHRML-INIZCTEOSA-N	318.461	3.137	10	20	DGCD	
CCCS(=O)(=O)CCSc1ncc(C(C)(C)C)s1	164293696	JFFHDGDGXULNKZ-UHFFFAOYSA-N	307.506	3.358	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3CCCS3)CC2)cc1	168684233	FPOFWLJWPXUNKP-KRWDZBQOSA-N	306.475	3.149	10	20	DGCD	
Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)c(C)n1	152421777	QFQNHVMVNMPFOL-UHFFFAOYSA-N	312.417	3.395	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)cc1	20185751	HIYDYRHQHNHWCZ-UHFFFAOYSA-N	308.425	3.293	10	20	DGCD	
CC[C@@]1(C)COCCN1Cc1c(O)cccc1Br	707129705	LLHLUCPAEBHIHP-AWEZNQCLSA-N	314.223	3.156	10	20	DGCD	
C[C@@H]1Oc2ccc(N[C@@H](C)c3ccc(F)cc3O)cc2NC1=O	170789144	NIGUAWNZCTWVJJ-UWVGGRQHSA-N	316.332	3.424	10	20	DGCD	
CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(C)c2O)C1	179938309	MZJLKAXHTZRSFD-WBVHZDCISA-N	318.461	3.217	10	20	DGCD	
COc1ccc(CNCc2ccc(N(C)C)cc2C)cc1OC	115629305	PKOWWWLPYCMHBH-UHFFFAOYSA-N	314.429	3.368	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](c2ccccc2)c2ncc[nH]2)cc1	125582025	FSKSAKNESNZZBC-SFHVURJKSA-N	306.413	3.355	10	20	DGCD	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1	127728828	RCBISMMNDBWFSI-RBUKOAKNSA-N	308.425	3.481	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccnc(Cl)c2)cc1	124463527	VOILCHLQCHWFEN-UHFFFAOYSA-N	304.781	3.123	10	20	DGCD	
CCOc1cccc(CNCCCN(C)c2ccccc2)c1O	74314514	PIEDAUAUTGHXIL-UHFFFAOYSA-N	314.429	3.407	10	20	DGCD	
COc1ccc(O)c(CNCc2cnc(-c3ccco3)s2)c1	193104971	KZMUTIRAYVCTHJ-UHFFFAOYSA-N	316.382	3.407	10	20	DGCD	
CCOc1cccc(CNCc2cccc(OCC)c2O)c1	236951210	DDSDTGKNUVNBTN-UHFFFAOYSA-N	301.386	3.479	10	20	DGCD	
CSC1(CN[C@@H](C)c2ccc(N(C)C)cc2)CCOCC1	90113059	MTOBEUQAUIYTDV-AWEZNQCLSA-N	308.491	3.315	10	20	DGCD	
C[C@@H]1[C@@H](C(=O)NCc2cc(Br)ccc2O)[C@@H]1C1CC1	529391531	ZYSWRIWNUASDHS-ULCPSODYSA-N	324.218	3.063	10	20	DGCD	
CC[C@@H](NC[C@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1	269078463	YWKVLLFEAZSKHO-SJORKVTESA-N	302.418	3.428	10	20	DGCD	
CCOc1cccc(CN2CCCC3(CCN(C)CC3)C2)c1O	366951250	IORJFEINDLJRTE-UHFFFAOYSA-N	318.461	3.099	10	20	DGCD	
CC[C@H](N[C@@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1O	375647668	FKQXDQAUKITCCJ-WBVHZDCISA-N	311.429	3.397	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1cncc(F)c1	281989585	PKCXQHIATPQFKY-UHFFFAOYSA-N	315.348	3.127	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ncoc1C1CC1	293462641	SUIBMRBRXASIAH-UHFFFAOYSA-N	300.358	3.310	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(F)n1	807837739	CAEPKMJKCJBHJU-UHFFFAOYSA-N	315.131	3.163	10	20	DGCD	
COC(=O)c1cnc(SC[C@H](O)c2ccc(C)cc2)s1	295983244	KGXHVIAWZDLIHQ-NSHDSACASA-N	309.412	3.064	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1O	806161954	PSUSJKMNNIKJIK-TVQRCGJNSA-N	321.812	3.169	10	20	DGCD	
CN(Cc1cc2oc3ccccc3c2cc1O)Cc1nncn1C	808214740	SRBRNNAFQOLTHE-UHFFFAOYSA-N	322.368	3.052	10	20	DGCD	
Cc1cc(CN2CCCC3(CCN(C)CC3)C2)ccc1N(C)C	815108129	XVPGUXZKZZVUQK-UHFFFAOYSA-N	315.505	3.369	10	20	DGCD	
CCO[C@@H](CC)C(=O)NCc1cc(Cl)cc(Cl)c1O	813685550	KHPIPLMWUAKPBE-NSHDSACASA-N	306.189	3.130	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ncsc2C(C)C)c1	810348570	XPTOFISPAMLWSK-SNVBAGLBSA-N	320.414	3.472	10	20	DGCD	
CCc1ccc(C(=O)CSc2ncc(C(=O)OC)s2)cc1	829681044	MJDDELYVGHVLHB-UHFFFAOYSA-N	321.423	3.467	10	20	DGCD	
CCOCc1cc(CN[C@H]2C[C@H](C)n3ccnc32)ccc1OC	825016713	GOADLZWJXKLTIU-BBRMVZONSA-N	315.417	3.224	10	20	DGCD	
O=C(O)C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1	900024829	AQEJIOOONFHNFM-QGZVFWFLSA-N	311.381	3.317	10	20	DGCD	
Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cnc1Cl	588406814	QQPONGDWDQUZJO-HYXAFXHYSA-N	304.733	3.107	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2C[C@@H](C)Oc3ccccc32)s1	732741027	GVOVZYNWFFWRSF-WSKFYRRCSA-N	300.383	3.279	10	20	DGCD	
C[C@H](NCCC1CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1O	834910316	WJAABRZIYSXJCL-VIFPVBQESA-N	300.305	3.386	10	20	DGCD	
O=C(NCC1=CCCCC1)NCc1ccc(N2CC=CC2)cc1	836319610	CYAQIYLNFZNTHK-UHFFFAOYSA-N	311.429	3.362	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2CCc3cccc(O)c32)C(=O)N1c1ccccc1	834674004	ZRYXPKHPKLVGLQ-KBRIMQKVSA-N	322.408	3.163	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@H](Oc2ccc(Cl)cc2)C1	832898246	FWVXJLZWPLLYQW-ZDUSSCGKSA-N	323.801	3.401	10	20	DGCD	
COc1ccc(O)c(CN2CCCCN2C(=O)OC(C)(C)C)c1	846070810	XMUCKGIKOVDUDV-UHFFFAOYSA-N	322.405	3.149	10	20	DGCD	
CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1O	840889939	JJTOZXHINYSFQQ-BDAKNGLRSA-N	319.232	3.263	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](CCO)Cc2ccccc2)c1O	846167168	HIXPRPOXMICEEY-GDBMZVCRSA-N	315.413	3.045	10	20	DGCD	
C[C@H](NCC(C)(C)c1cccnc1)c1cc([N+](=O)[O-])ccc1O	840891446	HIJSCPJELFKWNX-LBPRGKRZSA-N	315.373	3.324	10	20	DGCD	
Cc1occc1CNCc1ccc(N2CCC(CO)CC2)cc1	840885608	YAFBJJAUJMPWSP-UHFFFAOYSA-N	314.429	3.087	10	20	DGCD	
CC[C@@H](C)N(CC)C(=O)NCc1ccc(N2CC=CC2)cc1	853775998	JPWGROUJNUKMSL-OAHLLOKOSA-N	301.434	3.393	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C[C@H]1CNC(=O)C1	851879879	QDBAUNMQBUSBRV-JKSUJKDBSA-N	324.424	3.092	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2ccccc2OC)c1	756790617	PLSHLWOSPAFCNK-NSHDSACASA-N	301.342	3.361	10	20	DGCD	
CN(C)c1ccc(/C=C/CNCC2(C(=O)O)CCCC2)cc1	854243033	VLAWABYQTPWFMC-AATRIKPKSA-N	302.418	3.000	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cn(CC)cn1	854373123	BJYFOSJKTCSXBM-UHFFFAOYSA-N	301.390	3.051	10	20	DGCD	
Cc1cccc2nc(CNCc3ccc4c(c3)CCCO4)cn12	921721363	AQZPBNIVDLCINX-UHFFFAOYSA-N	307.397	3.258	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H]1CCC(=O)O1	852187273	NGCLYEWEEUAFAV-HOCLYGCPSA-N	303.402	3.036	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCN(Cc2ccsc2)CC1	768207310	BUFZNMMUWGGFDG-UHFFFAOYSA-N	322.861	3.425	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc2ccccn12	761708348	AYGZXUYYMMQGRW-UHFFFAOYSA-N	309.369	3.092	10	20	DGCD	
OC1CCN(c2ccc(CNc3ccc4c(n3)CCC4)cc2)CC1	877572883	SJGYVUAUUMTQNP-UHFFFAOYSA-N	323.440	3.144	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC12CCC2	873262789	PRHPSOCRINOVPH-LLVKDONJSA-N	315.200	3.441	10	20	DGCD	
CNc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1	876728199	ICYDHVZPIYBJRP-UHFFFAOYSA-N	309.413	3.259	10	20	DGCD	
C[C@H](NCCOCC(F)(F)C(F)F)c1c(O)cccc1F	886601173	LQYCBMATDYOJPJ-QMMMGPOBSA-N	313.266	3.099	10	20	DGCD	
Cc1nocc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	888750633	CFJRNRCVIYJOSA-UHFFFAOYSA-N	314.389	3.246	10	20	DGCD	
CC(C)(C)c1cnc(SC[C@H]2CCCS(=O)(=O)C2)s1	789929042	ISWZCAVKOQASPU-SNVBAGLBSA-N	319.517	3.358	10	20	DGCD	
C[C@@H](Nc1ccc(Br)nn1)c1ccc(N(C)C)cc1	1120037134	CQDSJLZLJDLVRZ-SNVBAGLBSA-N	321.222	3.478	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3cccc(F)c3[C@H]2C)c(O)c1O	780947014	HUVRTTZIAQQDEE-LLVKDONJSA-N	315.344	3.305	10	20	DGCD	
CC(C)[C@@H](NCc1ccc2c(c1)CCO2)[C@@H](O)c1ccccc1	788541969	ZZBXFQWLJRCFJU-UXHICEINSA-N	311.425	3.469	10	20	DGCD	
CSCC(C)(C)NC(=O)NCc1ccc(N2CC=CC2)cc1	893133931	DOTDGRXYVGFWTE-UHFFFAOYSA-N	319.474	3.004	10	20	DGCD	
CCc1noc(CC)c1CNCc1cc(C)cc(OC)c1O	894352489	NYCXRMSQEUNRCM-UHFFFAOYSA-N	304.390	3.112	10	20	DGCD	
CC(C)[C@H](CNCc1cc(Cl)ccc1O)c1ccnn1C	788077451	VIECIMMCVLQBNE-AWEZNQCLSA-N	307.825	3.309	10	20	DGCD	
COCC[C@H](NCc1cc(C)cc(OC)c1O)c1ccco1	894430417	FCUCWVITGWSEND-AWEZNQCLSA-N	305.374	3.170	10	20	DGCD	
COc1ccc(CN[C@H]2CCc3cc(F)ccc32)c(O)c1OC	892680655	QXDSRLYCBRCZFD-HNNXBMFYSA-N	317.360	3.326	10	20	DGCD	
C[C@H]1[C@@H](NC(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1	393845031	CLTXCVYNUUYLAO-KSSFIOAISA-N	324.428	3.053	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCC2CN(C(=O)OC(C)(C)C)C2)c1	397887498	QPMDOBSRCXFQOA-CYBMUJFWSA-N	320.433	3.218	10	20	DGCD	
OCCN(Cc1c(O)ccc(Cl)c1F)C1CCCCC1	792161366	FTWLCCAXNDJBLE-UHFFFAOYSA-N	301.789	3.312	10	20	DGCD	
CN1CCCc2cc(CNCc3cc(C(F)(F)F)n[nH]3)ccc21	799336763	OHPSOEQJYPOMEE-UHFFFAOYSA-N	324.350	3.101	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCC(F)(F)C2)c1	797586975	OJFJRTZIXDJXBI-MNOVXSKESA-N	313.344	3.265	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN[C@H]1COc2ccccc2C1	790962761	RDLSUDNSBOXDHB-LLVKDONJSA-N	307.752	3.278	10	20	DGCD	
CC[C@]1(C)COCCN1Cc1cc(Br)ccc1O	687976988	WMRXMMDVTMCLJA-CQSZACIVSA-N	314.223	3.156	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ncc(Cl)s2)c1	1324954358	NPJYUVYHFQQMGR-ZETCQYMHSA-N	312.778	3.002	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1cc(N(C)C)ccn1	1331995170	BNRCRKQYIVRKHD-CZUORRHYSA-N	311.429	3.500	10	20	DGCD	
Cc1cc(C)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)[nH]1	1331381085	OUIFKCRKGOKFHU-HNNXBMFYSA-N	313.445	3.367	10	20	DGCD	
Cc1ccc(CNCCCCNC(=O)OC(C)(C)C)c(O)c1	1352862512	NNWUZASCBAOIQV-UHFFFAOYSA-N	308.422	3.095	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)NCC2	1353494883	INNQMIQTPSIOJW-UHFFFAOYSA-N	321.424	3.185	10	20	DGCD	
Cc1cc(CN(C)CCCC(=O)O)ccc1N1CCCCC1	1605166165	WNAIYJRNLGYJCS-UHFFFAOYSA-N	304.434	3.282	10	20	DGCD	
Cc1cc(CNCCCSc2nccs2)ccc1C(=O)O	1600206707	UVKYIRAGJAGIIO-UHFFFAOYSA-N	322.455	3.422	10	20	DGCD	
Cc1csc([C@H](C)N[C@@H](C)c2cc(C(=O)O)ccc2O)n1	1600654040	DAGFMZSXJYAIJA-UWVGGRQHSA-N	306.387	3.267	10	20	DGCD	
Cc1cc(CN2CCNC(C)(C)C2)ccc1N1CCCCC1	1579598418	VBWQTBCEJRKGQB-UHFFFAOYSA-N	301.478	3.169	10	20	DGCD	
CO[C@]1(C)CCCN(Cc2cccc(Br)c2O)C1	230299906	LKRCQHGLFUZLHH-CQSZACIVSA-N	314.223	3.156	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cc(C(=O)O)ccc1Cl	1598530410	FKEDLHOSNUZFOB-UHFFFAOYSA-N	305.761	3.376	10	20	DGCD	
CCN1CCCc2cc(CNCC[C@H](C)CC(=O)O)ccc21	1776875529	NKWICYYCXPYZEY-AWEZNQCLSA-N	304.434	3.050	10	20	DGCD	
CC[C@@H](C)[C@@H](C)NC(=O)NCCCSc1nccs1	152774404	PJDKZUXFOTYZKE-GHMZBOCLSA-N	301.481	3.359	10	20	DGCD	
CCN(C(=O)CN(C)Cc1ccccc1O)C1CCCCC1	109772942	JUAKVZPKFIXRRP-UHFFFAOYSA-N	304.434	3.005	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccccn1	63337570	DMNJAIQPRJWUOC-UHFFFAOYSA-N	311.429	3.129	10	20	DGCD	
COc1cccc(CNC(=O)c2ccccc2SC)c1O	171487608	FSUGAGNQHHXUOY-UHFFFAOYSA-N	303.383	3.053	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ncc([N+](=O)[O-])cc1C	301297315	PQDJEPUPNYGSIE-UHFFFAOYSA-N	300.362	3.285	10	20	DGCD	
C[C@@H]1CCC[C@@H](OCC(=O)Nc2c(Cl)ccc3nonc23)C1	1342950596	HLIMKWBZXMECBR-NXEZZACHSA-N	323.780	3.410	10	20	DGCD	
CC[C@H](C)[C@H](O)CN[C@@H](C)c1ccc(Br)cc1O	185439332	DCDALLMHCFBNSC-PKFCDNJMSA-N	316.239	3.212	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1F	189430781	PSTQZJFFYJJYDH-UHFFFAOYSA-N	309.362	3.203	10	20	DGCD	
C[C@@H](Cc1cccs1)NCc1ccc(N2CCOCC2)cc1	78973760	YGRMTUNTMPUKGJ-HNNXBMFYSA-N	316.470	3.306	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(F)c(F)c1	41374125	VGZUXQUHZWAILA-UHFFFAOYSA-N	318.323	3.054	10	20	DGCD	
CC[C@H]1C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1	184058570	ITCCMSSJLIQIKD-GJZGRUSLSA-N	317.429	3.092	10	20	DGCD	
CN(CCCNC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1	93538225	DWYRDGWXEOIIRC-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
C1=C(c2c[nH]c3ncccc23)CCN(c2ncnc3[nH]ccc23)C1	339239746	RUMNVJBJXWEUNK-UHFFFAOYSA-N	316.368	3.128	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](C2CC2)C1	362688024	KQVUWRUWWYYFGP-QGZVFWFLSA-N	313.445	3.228	10	20	DGCD	
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc(O)c1O	363922872	GHMINHHCWJDGHC-KRWDZBQOSA-N	320.348	3.012	10	20	DGCD	
Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(Cl)ccc1O	362333882	FFBDZULLTLXYRG-OAHLLOKOSA-N	305.809	3.425	10	20	DGCD	
CO[C@@]1(C)CCCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	369797165	SJEJXVSNNNOTDJ-KRWDZBQOSA-N	309.381	3.125	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC2([C@H](C)CCO)CCC2)c1	273532167	WRCNNJVJHYBCMN-ZIAGYGMSSA-N	307.434	3.240	10	20	DGCD	
Cn1nccc1[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1	372812800	CCTFYDNWOBIGLJ-LLVKDONJSA-N	323.799	3.298	10	20	DGCD	
CC(C)Cn1ncc(C(=O)NCc2ccccc2O)c1C(F)F	270340962	GWEQXQUBZFKOIX-UHFFFAOYSA-N	323.343	3.112	10	20	DGCD	
CCOc1cccc(CN2CCC(OCC3CC3)CC2)c1O	371335614	LKGDXSJYQGRZMH-UHFFFAOYSA-N	305.418	3.182	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCC(=O)N2CCCCC2)c(O)c1	284879843	BJMAGUFMTAHZLH-OAHLLOKOSA-N	304.434	3.062	10	20	DGCD	
CO[C@H]1Cc2ccccc2N(Cc2c[nH]nc2-c2cccnc2)C1	282264166	CAWOQBOJTBCUNJ-KRWDZBQOSA-N	320.396	3.049	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](NCc1cccc(OC)c1O)CC2	289481583	QOLYAUBGMNCEDF-INIZCTEOSA-N	313.397	3.057	10	20	DGCD	
CSC[C@H](CCO)N[C@@H](C)c1cc(Cl)cc(C)c1O	808699076	RUPPEZVXRMFNNO-JQWIXIFHSA-N	303.855	3.119	10	20	DGCD	
COc1ccc(OC)c(CCN[C@H]2CCc3cccc(O)c32)c1	297918849	XBFGKBCGBSPNTF-INIZCTEOSA-N	313.397	3.229	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2cccc(-n3cncn3)c2)c(O)c1	293771085	PPJQLAFFSGLLFD-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](CO)C(C)C	805317213	SEOQDBOLHQPGDF-CQSZACIVSA-N	320.458	3.150	10	20	DGCD	
COC[C@]1(C)CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	294325166	XEEXCLRFASPCRC-MRXNPFEDSA-N	311.809	3.107	10	20	DGCD	
Cc1cc(C(=O)NC[C@@H]2CCCOC2)c(C)n1-c1ccccc1	299171588	VWJCWFUOMJHWHO-INIZCTEOSA-N	312.413	3.251	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CSC[C@@H]1C	807477652	VRWPPKZJHOZGST-BBRMVZONSA-N	321.490	3.036	10	20	DGCD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NCc1ccccc1O	815833342	JBSAYKHCRYFDKC-UHFFFAOYSA-N	314.772	3.386	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@H](C)COC	812455038	VPQPZMLSKQRALA-CABCVRRESA-N	306.450	3.020	10	20	DGCD	
C[C@H]1C[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H](C)O1	815082536	WSTGIJDLLDTJQJ-UIBIWLFHSA-N	318.461	3.130	10	20	DGCD	
Cn1ncc2ccc(CNCc3c(O)cccc3Cl)cc21	812770460	LQWDDIAPSBWLPN-UHFFFAOYSA-N	301.777	3.222	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(Br)cc2O)c2nccn21	826084168	WMJUIHHGCBJWQV-JOYOIKCWSA-N	322.206	3.147	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccnc2C)c(O)c1	834913615	YNAJSSKYRMZBTO-JSGCOSHPSA-N	313.401	3.082	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1(F)CCCC1	839918666	CBYVXMFKXABRHV-AWEZNQCLSA-N	306.425	3.391	10	20	DGCD	
O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(O)cs1	731866423	NFBZSGUSCJZPMA-LBPRGKRZSA-N	322.455	3.082	10	20	DGCD	
C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(Cl)cc1O	841752285	SBGBQGNHDSGUQL-YPMHNXCESA-N	311.809	3.382	10	20	DGCD	
CN(CCC1CCCCC1)C(=O)NCCc1ccc(N)cc1	841957233	PSGONAUTWFRJCP-UHFFFAOYSA-N	303.450	3.423	10	20	DGCD	
COCCOc1cccc(CN(C)c2ccc(OC)cc2)c1	845999666	XKIVJASICGADGQ-UHFFFAOYSA-N	301.386	3.357	10	20	DGCD	
CCCN(CC(=O)OC)Cc1cc(C)cc(C(C)(C)C)c1O	918177692	IJWKADUFKWYXLY-UHFFFAOYSA-N	307.434	3.383	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc(O)c1	840556089	KXQAPTXYOMQMPY-CQSZACIVSA-N	312.413	3.128	10	20	DGCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@H]3C[C@H]3C2)c1O	853576928	GXWAYFPZTYFNND-GJZGRUSLSA-N	323.392	3.171	10	20	DGCD	
Cc1ccccc1[C@H](O)CN[C@H](C)c1cc(F)cc(F)c1O	756576277	LXPPJZWTGVGGIF-BDJLRTHQSA-N	307.340	3.363	10	20	DGCD	
CNC(=O)CC1(CN[C@H](C)c2ccc(C)cc2O)CCCCC1	850556641	RRRFNUGZUYUUBV-OAHLLOKOSA-N	318.461	3.438	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@]2(C)CC2(Cl)Cl)c1	858514141	SOXGGSOFLRHZBX-ZDUSSCGKSA-N	317.216	3.084	10	20	DGCD	
CCCCC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O	761360063	WEDIHUPIIVYZIE-INIZCTEOSA-N	317.433	3.062	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C	769469635	BWQKSDHFBSWOHL-ZBFHGGJFSA-N	307.457	3.196	10	20	DGCD	
C[C@](O)(CNCc1ccc(N2CCCC2)cc1)c1cccs1	1116476055	JLQJCBBQICYYHX-SFHVURJKSA-N	316.470	3.346	10	20	DGCD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCc1cc(Cl)cc(F)c1O	776223535	JJGPEYWKCSFTOZ-DFBGVHRSSA-N	313.800	3.478	10	20	DGCD	
Cc1ccc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)s1	779501215	VANIYKSBIUTLOF-OFSNVTPPSA-N	303.383	3.358	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)o1	771824183	TZZJMHCGFRJPEH-MRXNPFEDSA-N	313.445	3.191	10	20	DGCD	
CCN(C)c1ccc(CN2Cc3ccc(C(=O)OC)cc3C2)cc1	773754476	FXFAJUGAEWPHEJ-UHFFFAOYSA-N	324.424	3.445	10	20	DGCD	
C[C@H]1CCCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	877408686	QGRKOLMQOMQOBG-INIZCTEOSA-N	302.462	3.270	10	20	DGCD	
CN(Cc1ccc(F)cc1F)C(=O)/C=C/c1ccc(O)c(O)c1	779492752	JPGFDDNRZMULDI-XVNBXDOJSA-N	319.307	3.048	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(F)c(C)c2)c1O	774929075	NVRFDEFLNSKXSK-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
O=c1oc2ccc(CNCCCSc3nccs3)cc2o1	883012781	SPDSZAMKPRFCCM-UHFFFAOYSA-N	322.411	3.115	10	20	DGCD	
CC(C)C[C@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1O	788564611	WTXAQMPRUJIHBT-WDEREUQCSA-N	305.340	3.469	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H](C)C1	780801598	YJJTYXCUCRRIOR-GDBMZVCRSA-N	303.450	3.473	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(C)c(Cl)c2F)c1O	789997085	ZPLLKRALFFWREI-UHFFFAOYSA-N	323.751	3.432	10	20	DGCD	
CCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCC1	891254284	YDDFYPDQJUMFNP-KRWDZBQOSA-N	317.477	3.052	10	20	DGCD	
COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nccs1	787895971	BDSVPHWABMUNER-UHFFFAOYSA-N	310.356	3.298	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](O)c2cc(C)cc(C)c2)c1O	894678732	FUCVBUAWLFZUDP-QGZVFWFLSA-N	315.413	3.149	10	20	DGCD	
CCOC(=O)C1(CNCc2c(O)cccc2Cl)CCCC1	792195890	ODMQJNHCGXLFLQ-UHFFFAOYSA-N	311.809	3.259	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC[C@H](OC)C2)c1	793688682	GUFLEXBLPRYZKO-MJBXVCDLSA-N	321.417	3.173	10	20	DGCD	
C[C@H]1CCC[C@H]1CNC(=O)NCCCSc1nccs1	798437524	JPLPTNBBEDUNRK-RYUDHWBXSA-N	313.492	3.361	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@H]([C@H]2CCOC2)C1	1319963780	PHSZJQMHUWRMAZ-ROUUACIJSA-N	300.446	3.145	10	20	DGCD	
COC(=O)N1CCC[C@H](N[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1	1320410481	BXNQLJGVPOFDNN-HZSPNIEDSA-N	318.417	3.069	10	20	DGCD	
COC(=O)[C@H]1CCCCCN1Cc1ccc(N2CCCC2)cc1	1342076103	AMLLHZLTTDVGSP-GOSISDBHSA-N	316.445	3.204	10	20	DGCD	
CCOc1ccccc1CNC(=O)NCc1cc(C)ccc1O	1352359300	FOVUTTFNDLBXHK-UHFFFAOYSA-N	314.385	3.099	10	20	DGCD	
C[C@H](NCC[C@@]1(C)C[C@@]1(F)Cl)c1cc(C(=O)O)ccc1O	1604338634	PRIXQXGXSVQMKK-LNHVQRHZSA-N	315.772	3.446	10	20	DGCD	
O=C(O)[C@H](CC1CCCC1)NCc1ccc2c(c1)CCCO2	1777572937	PTVPPMLAQCIOPI-INIZCTEOSA-N	303.402	3.135	10	20	DGCD	
CC[C@H](NCCC(=O)NCc1ccccc1)c1ccccc1O	155504597	AALQHJLBAJVWGX-KRWDZBQOSA-N	312.413	3.139	10	20	DGCD	
Cn1ncc(Cl)c1CNCc1cc(Cl)cc(Cl)c1O	809775587	FEEGCDKGRZRXFA-UHFFFAOYSA-N	320.607	3.376	10	20	DGCD	
C[C@@H](NCc1cc(Br)ccc1O)[C@H]1CCCOC1	389098031	RCHFZDYDJLMFBQ-MNOVXSKESA-N	314.223	3.059	10	20	DGCD	
Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1	109773563	JYILSXDNHVHAHX-OAHLLOKOSA-N	312.413	3.468	10	20	DGCD	
C[C@H](CN(C)Cc1ccccc1)NCc1ccc2c(c1)CCO2	309701330	GFHAWDKFRFUWQF-MRXNPFEDSA-N	310.441	3.232	10	20	DGCD	
C[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1	31730304	DNELWIIQFSTEQI-WMLDXEAASA-N	303.450	3.473	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2CS[C@H](C)C2)n(C)c2ccccc12	413508519	URFUQHKUBASSGL-YPMHNXCESA-N	317.458	3.180	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(C)c1	189434514	XOKGWWCLKFLYPY-UHFFFAOYSA-N	321.398	3.072	10	20	DGCD	
N#Cc1c(F)cccc1C(=O)NCc1ccc(N2CCCC2)cc1	188989573	MNERQVAGCHLQLQ-UHFFFAOYSA-N	323.371	3.228	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C)c1cc(OC)ccc1O	132910198	QFECKLVZPQFFBF-ZOWXZIJZSA-N	306.406	3.340	10	20	DGCD	
CCOc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1	48642771	ILSCPHDOFRPRCY-LCYFTJDESA-N	305.424	3.449	10	20	DGCD	
CC1(C)CN(Cc2cccc(Br)c2O)CCS1	93504485	NENGNCCTJCDPSB-UHFFFAOYSA-N	316.264	3.482	10	20	DGCD	
C[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O	183546787	GMTOWLBJTVGBHO-LBPRGKRZSA-N	308.422	3.346	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)nc1	263746026	WIEWBSUAAFAXAZ-UHFFFAOYSA-N	315.373	3.240	10	20	DGCD	
CCCc1nc(C(=O)N(CCC)Cc2ccccc2O)co1	273565371	YCQYJTZOXFRBQW-UHFFFAOYSA-N	302.374	3.385	10	20	DGCD	
C[C@H](N[C@H](C)CC[S@@](C)=O)c1cc2c(cc1O)CCCC2	273486761	NHVYBQDZANUGEQ-RRMDADRESA-N	309.475	3.079	10	20	DGCD	
C[C@H](N[C@@H]1CCOC2(CCCC2)C1)c1cc([N+](=O)[O-])ccc1O	273350583	BOHQBWAOQDEKAF-QWHCGFSZSA-N	320.389	3.443	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC2(OC)CCC2)cc1	276848789	IYPFHQXZNITGKJ-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC1=CCCOC1	288157012	YNDIMHUQPFPQMW-UHFFFAOYSA-N	316.426	3.232	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)C(F)(F)F)c(C)n1-c1ccccn1	288717458	WHYXJFCNAWFNEJ-NSHDSACASA-N	311.307	3.170	10	20	DGCD	
CC[C@@H](C)OCC(=O)NCc1cc(Cl)cc(Cl)c1O	807837291	KBHDCZYBCIOSEC-MRVPVSSYSA-N	306.189	3.130	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@H](C)c1cc(Cl)cc(C)c1O	808697806	WATORWZNKLSGCU-GIPNMCIBSA-N	303.855	3.117	10	20	DGCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)c1cccc([N+](=O)[O-])c1	383904490	DDIOZXUGLOJYAJ-GFCCVEGCSA-N	314.341	3.063	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)C(F)F)c1C	800076925	XJNJQGRDMSTGAI-UHFFFAOYSA-N	321.323	3.394	10	20	DGCD	
FC(F)(F)c1cc(CNCc2ccc3c(c2)CCO3)ccn1	294973759	FZEAYONMQJGTQA-UHFFFAOYSA-N	308.303	3.325	10	20	DGCD	
COc1cccc(CNCc2cccc(C(F)(F)F)n2)c1O	294749758	ICMACESKJBHHTE-UHFFFAOYSA-N	312.291	3.104	10	20	DGCD	
CC(C)N1CC[C@H](CNCc2cc(Cl)cc(F)c2O)C1	809735664	NXBAMZVBVXGOFB-LLVKDONJSA-N	300.805	3.005	10	20	DGCD	
CC1(C)[C@H](NCc2cc(Cl)c(F)cc2O)[C@@H]2CCCO[C@H]21	816555143	VJZZNZPZNUWYFT-COLVAYQJSA-N	313.800	3.478	10	20	DGCD	
Cc1cc(=NCCc2ccc(O)c(O)c2)c2cc(F)ccc2[nH]1	811811416	SSOSBSACOQJQNE-UHFFFAOYSA-N	312.344	3.170	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCCCC(=O)C2)cc1F	813429642	IPGWVTQZVALCKE-AWEZNQCLSA-N	320.408	3.047	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@](C)(OC)C2CC2)cc1	812453884	WRQOLLSXAYDENP-LJQANCHMSA-N	318.461	3.306	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@H](C)COC	812563467	ALUYVGMRTISLBO-HUUCEWRRSA-N	307.434	3.440	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ncccc2N(C)C)c2c(O)ccc(F)c21	810248897	IIBLLMRYDCJUGO-WCQYABFASA-N	315.392	3.330	10	20	DGCD	
CCCN(CC)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	726712979	IHAPCGGVWOHRKQ-UHFFFAOYSA-N	319.449	3.106	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O	824716378	SZMAHFNHAMQRBC-YUELXQCFSA-N	313.800	3.310	10	20	DGCD	
Cc1cc(O)c(CN2CCN(c3ccccn3)CC2)cc1Cl	824491786	VQIBSZFTXDWBEG-UHFFFAOYSA-N	317.820	3.071	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](O)CNCc1cc(Cl)cc(F)c1O	827733923	RAWDONDLZSAAJH-ZBEGNZNMSA-N	323.795	3.439	10	20	DGCD	
COc1ccc(N2CCC(Nc3nnc(C(C)C)o3)CC2)cc1	827537245	FEFMIPMMFJYLTH-UHFFFAOYSA-N	316.405	3.283	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCS[C@H]1C	828541435	IBOJLCDINJTQOZ-JSGCOSHPSA-N	308.447	3.208	10	20	DGCD	
O=C(Nc1ccc(OC2CCCC2)nc1)c1cc(O)cs1	732282901	OMJWQMNDZIVBBU-UHFFFAOYSA-N	304.371	3.422	10	20	DGCD	
Cc1ccc(CN[C@@H]2CCc3cccc(O)c32)c(N2CCCC2)n1	834761740	UNZNYQNRATXYJS-QGZVFWFLSA-N	323.440	3.473	10	20	DGCD	
CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc(O)cs1	732282833	VQIMKZCRAJZDNG-ZDUSSCGKSA-N	303.383	3.270	10	20	DGCD	
C[C@H]1C[C@@H](NC2C[C@@H]3CC[C@H](C2)N3C)c2c(O)ccc(F)c21	834891798	JLWKUFLMGFCRAN-HHQTYALHSA-N	304.409	3.294	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CS[C@H](C)C2)c(C)n1-c1ccccn1	839829429	HMHIQRIUNOSONL-OCCSQVGLSA-N	315.442	3.113	10	20	DGCD	
CCn1ncc(CN(Cc2ccccc2O)C2CCCCC2)n1	838781631	QSNVVWCXKLERQH-UHFFFAOYSA-N	314.433	3.339	10	20	DGCD	
Cc1ccc(N2CC[C@H](N[C@@H]3CCc4cccc(O)c43)C2=O)cc1	834668243	IXTNSKFOMBTWNA-SJORKVTESA-N	322.408	3.083	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c1	834895273	HDMPSZSNQRJDFO-XIKOKIGWSA-N	312.369	3.099	10	20	DGCD	
Cc1cc(CN2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)ccc1N1CCCCC1	831631554	KEXDGPCDDUFGPQ-FMWKFLBASA-N	324.468	3.371	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]1c1ccco1	840299978	BLTCQBSKQNMLMM-HZPDHXFCSA-N	313.401	3.009	10	20	DGCD	
C[C@H]1CCC[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1	743810957	HIVWBNALYVBWHJ-LSDHHAIUSA-N	303.450	3.473	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1C(=O)CC12CCC2	743349650	FRSYCJVOHFWYBI-UHFFFAOYSA-N	315.461	3.076	10	20	DGCD	
CCc1cccc(CN2CCSC3(CCOCC3)C2)c1O	848903539	VWDRBTXYCLLJHC-UHFFFAOYSA-N	307.459	3.053	10	20	DGCD	
CNC(=O)C1CCC(N[C@H](C)c2ccc(Cl)cc2O)CC1	841747679	RYWCTDPFQHQFCL-XSRFYTQQSA-N	310.825	3.001	10	20	DGCD	
CC(C)c1nc(CN(C)c2ccc(OCC(=O)O)cc2)cs1	846279799	LNJWBKTZPSBHHY-UHFFFAOYSA-N	320.414	3.366	10	20	DGCD	
COc1cc(CN(C)Cc2nc(C)no2)c(O)c(C(C)(C)C)c1	848503370	CBJTYEJYMOTTLF-UHFFFAOYSA-N	319.405	3.022	10	20	DGCD	
C[C@@H](NCc1nccc(C(F)(F)F)n1)c1cc(F)ccc1O	840869648	NMKRRYAUYOSBCW-MRVPVSSYSA-N	315.270	3.191	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCN3CCC[C@H]3C2)cc1F	740003946	DTVWEKWOXPOSFW-IRXDYDNUSA-N	319.468	3.388	10	20	DGCD	
NC[C@H](NCc1cc(Cl)cc(F)c1O)C1CCCCC1	841039496	RMEXRPXKRAGLER-AWEZNQCLSA-N	300.805	3.182	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@@H]1C	840717703	HYBOEFGWCZDRQX-OWQGQXMQSA-N	320.452	3.311	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](C)c2cc(Br)c(F)cc2O)CO1	842928290	JAIDBDXORDAAFM-HLTSFMKQSA-N	318.186	3.122	10	20	DGCD	
CCc1cccc(CN(C)[C@H](C(=O)OC)c2ccccc2)c1O	848887262	ROUFASVICCDYAS-KRWDZBQOSA-N	313.397	3.301	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc(C3CC3)cc2)cc1	841040866	ARHSRCYEJLWQFU-FQEVSTJZSA-N	309.457	3.420	10	20	DGCD	
C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1O	756672545	PXQFYRFIYBDTQC-SECBINFHSA-N	308.284	3.429	10	20	DGCD	
C[C@@H](CCC(=O)O)CNCc1ccc(N2CCCCC2)cc1	756313025	TURHWANEZDKQQI-HNNXBMFYSA-N	304.434	3.267	10	20	DGCD	
C[C@H]1C[C@H](NCc2cccc(N(C)C)n2)c2c(O)ccc(F)c21	756770274	VTVSXOOMLYOEDW-FZMZJTMJSA-N	315.392	3.330	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2COc3cc(F)ccc3C2)c1O	850537795	URUTYAHVLZHPSE-FZMZJTMJSA-N	317.360	3.194	10	20	DGCD	
CC(C)[C@H](N[C@H](C)c1ccc(F)cc1O)[C@H](O)C(F)(F)F	866464851	ZBVFMLBUIAJSAX-JCOFBHIZSA-N	309.303	3.130	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC(C)(F)F)c1	861834874	HNIHDZXOFASZRV-UHFFFAOYSA-N	320.339	3.292	10	20	DGCD	
C[C@@H](CO)N(Cc1cc(F)c(N(C)C)cc1F)CC1CCC1	862358870	YKYPYTUAATXVQP-LBPRGKRZSA-N	312.404	3.014	10	20	DGCD	
COc1ccc(C(C)(C)C(=O)NCc2cc(C)ccc2O)cc1	862758047	MWRGJWHUDXNURN-UHFFFAOYSA-N	313.397	3.303	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)[C@H]1C[C@H]2CC[C@H]1C2	765750707	JZTJVSBERJURSD-NHCYSSNCSA-N	324.218	3.207	10	20	DGCD	
COc1ccc(CN[C@H]2CCC(F)(F)C2)cc1Cn1cccn1	873080598	QRAIQSZMNIBMHB-HNNXBMFYSA-N	321.371	3.217	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCO[C@@H](CC(C)C)C2)c(O)c1	776948546	FKSXFNCWOLXYMZ-WBVHZDCISA-N	307.434	3.474	10	20	DGCD	
C[C@H](CC(=O)OC(C)(C)C)NCc1cc(Cl)c(F)cc1O	1117721523	SBQNRJGJHKYMTP-SECBINFHSA-N	317.788	3.395	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1N(C)C	776165477	RCMWUXTUHJCPNL-CGTJXYLNSA-N	302.462	3.354	10	20	DGCD	
Oc1nnc(Cl)cc1NCc1ccc(N2CCCC2)cc1	872408885	NGBUOODROYQHNQ-UHFFFAOYSA-N	304.781	3.048	10	20	DGCD	
COc1ccc(CNCc2occc2C)cc1Cn1cccn1	873127903	WFQWXFUFUTZLNP-UHFFFAOYSA-N	311.385	3.131	10	20	DGCD	
CC[C@H](NCc1cc(OC)ccc1O)[C@@H](O)c1ccccc1	877832177	HLBYRNAPMJARMY-WMZOPIPTSA-N	301.386	3.003	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]2C2CCOCC2)c(O)c1	777439504	IYBBJJRKXGGHFF-KRWDZBQOSA-N	305.418	3.182	10	20	DGCD	
C[C@H](C[C@@H](O)c1ccccc1)NCc1cc(F)cc(F)c1O	883079488	VTHGHLNFPXBRJP-BDJLRTHQSA-N	307.340	3.272	10	20	DGCD	
Cc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	780773601	AJPPOKHYLBOTSN-UHFFFAOYSA-N	300.314	3.268	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ccc(Cl)cn1	786332307	UFVQITRTIDFEHH-UHFFFAOYSA-N	318.804	3.422	10	20	DGCD	
CCOc1ccccc1CNCc1ccc(OC)c(OC)c1O	892663808	XBWISOSQTMCOFY-UHFFFAOYSA-N	317.385	3.098	10	20	DGCD	
COCc1cc(NCc2cc(C)cc(OC)c2O)ccc1OC	895449999	RKVPKDXTFMGZEK-UHFFFAOYSA-N	317.385	3.476	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1	898449659	IQJNPURZZTXIRE-BEFAXECRSA-N	312.461	3.101	10	20	DGCD	
CCc1ccc(CCNCc2ccc(OC)c(OC)c2O)cc1	893008975	PJRVVPNSSGGXEK-UHFFFAOYSA-N	315.413	3.304	10	20	DGCD	
CC1(C)[C@H](NCc2c(O)ccc(Cl)c2F)[C@H]2CCCO[C@H]21	790973475	PEYKDIDUACQPFB-DFKRKDTASA-N	313.800	3.478	10	20	DGCD	
COc1ccc(CNC(=S)Nc2cccc(C)c2)c(O)c1	795030590	CAPNQPGXJRYWSS-UHFFFAOYSA-N	302.399	3.196	10	20	DGCD	
CCOC(=O)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C1CC1	1320686394	WYLKPLRARFKQCX-LBPRGKRZSA-N	318.200	3.130	10	20	DGCD	
Cc1cc(C(=O)NCCCC(F)F)c(C)n1-c1ccccn1	1333625527	JBUCWPUQLQSEMW-UHFFFAOYSA-N	307.344	3.264	10	20	DGCD	
CO[C@@H]1CCC[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)C1	1331138122	GPYYETJAODNBFU-RKDXNWHRSA-N	309.753	3.020	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CC3(CCCCC3)C2)c([N+](=O)[O-])c1	1608661226	PKWBHHFSYHOUBD-FNORWQNLSA-N	316.357	3.463	10	20	DGCD	
COc1ccc(N[C@H](C)c2cc(C(=O)O)ccc2O)c(OC)c1	1607275297	DIDCCLHGBGAQRC-SNVBAGLBSA-N	317.341	3.281	10	20	DGCD	
CN(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)O)cc1	1610122457	RGRCOCDBZWKBMR-UHFFFAOYSA-N	305.761	3.440	10	20	DGCD	
CC/C(C)=C\C(=O)NC[C@@H](C)CNCc1ccc(OC)c(C)c1	1753612513	HFYCVRHJDPRZOV-MZLJFPOFSA-N	318.461	3.202	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](C)CCCC(=O)O)ccc21	1776875207	OSKUQNDQIXLLBF-CQSZACIVSA-N	304.434	3.192	10	20	DGCD	
COc1cc(CNCc2cc(Cl)cc(Cl)c2O)ccn1	60942035	QGKFHYPGQDAYRH-UHFFFAOYSA-N	313.184	3.392	10	20	DGCD	
Cc1cc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccccn1	103071956	HRKXPRVBAZESLR-UHFFFAOYSA-N	310.332	3.276	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2ccccc2[nH]1	173188910	AENGTVQMHRSYIP-UHFFFAOYSA-N	321.380	3.273	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CC[C@@H]3CCCCO3)ccc21	110259181	FQCICYYXIPECHC-KRWDZBQOSA-N	316.445	3.035	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](C)SC)cc1	179113337	OBFIPWSNUULCBG-ZDUSSCGKSA-N	309.479	3.084	10	20	DGCD	
CCc1cnc(NC(=O)NCc2ccc(N(C)C)cc2)s1	174204028	SKLYDHJYLUEWMW-UHFFFAOYSA-N	304.419	3.093	10	20	DGCD	
CN(Cc1ccsc1)Cc1ccc(N2CCOCC2)c(F)c1	120471475	OLDDDTUSLDNOKA-UHFFFAOYSA-N	320.433	3.356	10	20	DGCD	
Cc1cc(C(=O)N(C)C[C@H](C)O)c(C)n1-c1ccc(Cl)cc1	125896737	BDLQGATTYRVYOG-LBPRGKRZSA-N	320.820	3.200	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1C	73915411	WXEVLDLZPVIOLR-STQMWFEESA-N	307.413	3.222	10	20	DGCD	
C[C@H](NCc1cccnc1OCC(F)F)c1ccccc1O	183633494	XOUJGSTUQMYSHI-NSHDSACASA-N	308.328	3.282	10	20	DGCD	
C[C@@H](NCCCN(C)CC(F)(F)F)c1ccc(F)cc1O	185026831	PGRUQESMJQRSOA-SNVBAGLBSA-N	308.319	3.066	10	20	DGCD	
C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1O	183674593	XOBFUYAZOINBES-HNNXBMFYSA-N	311.429	3.317	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)Cc2c(C)noc2C)c1	185501445	ZITCUFHQNZPQAT-WDEREUQCSA-N	304.390	3.287	10	20	DGCD	
Oc1cc2c(cc1CN1CCO[C@H](c3ccccc3)C1)CCC2	74171635	QEMSSHPHOABODS-FQEVSTJZSA-N	309.409	3.454	10	20	DGCD	
COC(=O)N1CCC([C@@H](C)N[C@H](C)c2ccc(F)cc2O)CC1	186776242	LWBSPINMLFKSGD-VXGBXAGGSA-N	324.396	3.049	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC(C)(C)C(C)C)c1	186886920	CEQRGHHOMHJCSA-GFCCVEGCSA-N	308.422	3.443	10	20	DGCD	
Cc1csc(N2CCN(Cc3c(O)cccc3Cl)CC2)n1	133864979	LZYGFTZHYVFVAA-UHFFFAOYSA-N	323.849	3.133	10	20	DGCD	
Cc1cc(O)c(CN2CCC(OC[C@@H]3CCCO3)CC2)cc1C	83630492	MQJOCVKEKAKREK-SFHVURJKSA-N	319.445	3.169	10	20	DGCD	
Cc1nc(CC(C)C)c(NC(=O)c2cccc(O)c2O)s1	193134147	OCXUKXUAYWTYNX-UHFFFAOYSA-N	306.387	3.314	10	20	DGCD	
Cc1cccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	45039094	VVZUDLPNNQJKIZ-UHFFFAOYSA-N	311.429	3.403	10	20	DGCD	
CCN(CC)c1ccc(CNC2C[C@@H]3CC[C@@H](C2)N3C)cc1F	192848106	YPPKSZXMOBCMMM-IRXDYDNUSA-N	319.468	3.387	10	20	DGCD	
CCCCO[C@@H]1C[C@H](NCc2ccc(OC)cc2O)C1(C)C	236853408	SXGIUKFTJVRVGH-DLBZAZTESA-N	307.434	3.474	10	20	DGCD	
CC[C@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	272759025	PEPGOUOCUKYJLA-HIFRSBDPSA-N	322.424	3.103	10	20	DGCD	
C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1ccc(N2CCCCC2)cc1	271195533	NIRJHIIQGXVDPY-XCGNWRKASA-N	320.502	3.018	10	20	DGCD	
Cc1cscc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	281257427	FMIRCCBDILRNAW-SNVBAGLBSA-N	306.387	3.220	10	20	DGCD	
CCOCc1cc(CN[C@@H]2CCCCC[C@H]2O)ccc1OC	288329558	ANKVAYPAMLOHDM-IAGOWNOFSA-N	307.434	3.015	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](COC)C1CC1	283648970	OCNQABQLIQBOOH-MRXNPFEDSA-N	320.433	3.129	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCO[C@]3(CCOC3)C2)cc1	374499237	ZHSUYFKNINFFHN-VDZJLULYSA-N	318.461	3.131	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](Cc2ccccc2)OC)c1	294715937	FAXYHOVQYQINGA-WMLDXEAASA-N	315.413	3.309	10	20	DGCD	
CC(C)(C)OCc1cc(CN[C@H]2CCc3cccc(O)c32)no1	296383261	JHVGVMXJKAKOAW-HNNXBMFYSA-N	316.401	3.472	10	20	DGCD	
COc1cccc(CNc2ccc([N+](=O)[O-])cc2C(C)=O)c1O	804424929	QBXISCDKPYHMBK-UHFFFAOYSA-N	316.313	3.124	10	20	DGCD	
COCCn1cc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)cn1	808717459	IYMTZADZSKSUNG-LBPRGKRZSA-N	323.824	3.048	10	20	DGCD	
C[C@H](NC(=O)C(C)(C)C1CC1)c1ccc(N2CCOCC2)cc1	806613998	HCNNBHQLZAZCEP-AWEZNQCLSA-N	316.445	3.137	10	20	DGCD	
C[C@]1(CCCO)CCCN1Cc1cc(Cl)cc(F)c1O	809756353	GNVWTXCBSFCVEE-OAHLLOKOSA-N	301.789	3.312	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1cccc2c1OCO2	816537612	LAYKKWDWISCUNJ-UHFFFAOYSA-N	309.724	3.203	10	20	DGCD	
C[C@H](NCCc1ccc(N)cc1)c1ccc2c(c1)OCCCO2	817956044	OLXJZYXNDAPZBS-AWEZNQCLSA-N	312.413	3.323	10	20	DGCD	
CC[C@H](Cc1cccs1)NC[C@H](N)c1ccc(N(C)C)cc1	817941124	JCZHDNYUFDHOLB-QAPCUYQASA-N	317.502	3.425	10	20	DGCD	
COc1ccc(O)c(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1	814178522	SYJIORHVLILSHK-UHFFFAOYSA-N	316.357	3.334	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)c3ccncc3)C2)cc1	818115749	CKOGOACPBLAUBU-CVEARBPZSA-N	311.429	3.267	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)c3cccnc3)C2)cc1	818115859	CZULBNRESWDNJR-HOTGVXAUSA-N	311.429	3.267	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1	823671358	MNXJOLXYKPHCDK-KRWDZBQOSA-N	306.425	3.331	10	20	DGCD	
COc1ccc(N2CCC(NCCC[C@H]3CCOC3)CC2)cc1	825144421	NBBGVQSWOUMBJW-INIZCTEOSA-N	318.461	3.070	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H](OC)C1CC1	838702053	RHMVSESWNKBYNZ-DYVFJYSZSA-N	320.433	3.127	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1c1ccccc1	588405838	VICGHQFUCQZQKK-RMKKGBGRSA-N	309.365	3.331	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cn1	588612816	DTWBLZAFPVYPAA-NXSJDDFASA-N	318.760	3.037	10	20	DGCD	
Fc1cc(CNCc2cccs2)cc(F)c1N1CCOCC1	839146325	COGAZHKVYQWBGI-UHFFFAOYSA-N	324.396	3.153	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc(Br)cc(C)c1O)[C@H](C)O	834888258	NZTVRUZGHUKVJU-NRUUGDAUSA-N	316.239	3.273	10	20	DGCD	
Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(O)cc1O	910955806	UTWLKJQURSMDQC-UHFFFAOYSA-N	320.414	3.090	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)C1CCN(C)CC1	840894430	RLOWDUFFPRRYIV-DLBZAZTESA-N	317.521	3.312	10	20	DGCD	
Oc1ccc(Cl)cc1CNC(=S)NC(C1CC1)C1CC1	844583532	BVLAVROPAOLUCP-UHFFFAOYSA-N	310.850	3.198	10	20	DGCD	
CCCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	844340587	AHJWZWXTDQKZOO-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
CCc1cccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c1O	848913630	CTSZUIJNZJHBEK-SFHVURJKSA-N	301.430	3.346	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1F	843420789	HPXMBSCWIQTAIE-QAPCUYQASA-N	306.425	3.283	10	20	DGCD	
CCOc1cccc(CN[C@H](c2cnn(C)c2)C(C)C)c1O	922895046	NLMVARZUWLHWKU-INIZCTEOSA-N	303.406	3.011	10	20	DGCD	
O=C(CCCc1cccnc1)NCc1cc(Cl)ccc1O	855022794	JMUSBEMVJFJMGU-UHFFFAOYSA-N	304.777	3.080	10	20	DGCD	
CC(C)Oc1cc(C(=O)NCc2cc(Cl)ccc2O)ccn1	857547896	ZHHWYBJYNLEAKB-UHFFFAOYSA-N	320.776	3.158	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCCc2ccccc21)c1cc(F)ccc1O	756561606	FQOAMSYGNNAMGC-DJJJIMSYSA-N	315.388	3.406	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cncc(F)c2)cc1	759116209	GDYVUBMDEZUZAT-UHFFFAOYSA-N	315.392	3.339	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(F)cc2F)c1	756494481	FKSRZVJERYWICG-JTQLQIEISA-N	321.323	3.308	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)C(C)C)cc1	858336569	MBJHMSQWTPJOKO-UHFFFAOYSA-N	312.413	3.316	10	20	DGCD	
c1cc2c(cc1CNCc1nnc(C3CC3)s1)CCCO2	922183527	FIGULWLUOTXIMU-UHFFFAOYSA-N	301.415	3.030	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCOCCF)c2C)c1	856471176	HYCOCQHZZJRGHJ-UHFFFAOYSA-N	318.392	3.118	10	20	DGCD	
CC(C)OCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	758717214	HEIOUJACTDLUBO-UHFFFAOYSA-N	321.465	3.098	10	20	DGCD	
Cc1ccc([C@H](C)NC(=O)c2cc(O)cs2)cc1[N+](=O)[O-]	752816288	RZBDNMPLRMTJJP-VIFPVBQESA-N	306.343	3.161	10	20	DGCD	
COC[C@](C)(O)CN[C@H](C)c1ccc(N2CCCCCC2)cc1	765937630	OXJUXLYZVKJGGM-VQIMIIECSA-N	320.477	3.115	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@H](C)Cc2cccnc2)c1O	934236388	OOKASSZCYJIQLZ-LLVKDONJSA-N	318.804	3.364	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H](N3CCCCC3)C1)CCCC2	768452716	RLVJCYNPMOVTLM-IBGZPJMESA-N	314.473	3.331	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cc1	763926534	SOFHBDLLOCNCTP-HOCLYGCPSA-N	316.445	3.154	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2CCCC[C@@H]2N(C)C)c1O	1116583657	NDZMJHLLLGQKAG-KGLIPLIRSA-N	312.841	3.017	10	20	DGCD	
CC(C)(C)OC(=O)CCCCNCc1ccc2c(c1)CCO2	773426886	IKVUOZJYJMSTSL-UHFFFAOYSA-N	305.418	3.223	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@@H](C)c1c(O)cccc1F	886587937	IMETYTWDLLCPTI-STQMWFEESA-N	307.365	3.423	10	20	DGCD	
CN(Cc1cccc(Cl)c1)C(=O)c1c(F)ccc(O)c1O	789938600	DVCLDTXLGDZZGG-UHFFFAOYSA-N	309.724	3.163	10	20	DGCD	
C[C@@H](C[C@H](O)c1cccs1)NCc1cc(F)cc(F)c1O	883079621	YMXXLJDSTMAOSX-ZANVPECISA-N	313.369	3.334	10	20	DGCD	
COc1ccc(CNC2CCN(CCC(C)C)CC2)c(O)c1	894185493	PAJKULDHAPWOGF-UHFFFAOYSA-N	306.450	3.001	10	20	DGCD	
COc1ccc(CN2CC[C@H]2Cc2ccccc2)c(O)c1OC	892130319	KBTRHAGCJKWNIM-INIZCTEOSA-N	313.397	3.226	10	20	DGCD	
CCSCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	799976379	XDUZQOQZPPGMFV-ZDUSSCGKSA-N	309.479	3.256	10	20	DGCD	
CC[C@@H](C)C(=O)N1CCC[C@H](NCc2ccc(OC)c(C)c2)C1	998576522	FXHKJDMDPFYGTL-PBHICJAKSA-N	318.461	3.130	10	20	DGCD	
Cc1cccc2nc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cn12	1324138620	HUQAVGSDWHWDRZ-CQSZACIVSA-N	322.412	3.200	10	20	DGCD	
CC(C)CNC(=O)CN[C@H](C)c1cc(Cl)c(Cl)cc1O	1322120676	NIYYAYOKNFSYFD-SECBINFHSA-N	319.232	3.122	10	20	DGCD	
CCCN(CCc1cccs1)C(=O)NCc1ccc(N)cc1	1335723815	BVPDSYTXXBXEIK-UHFFFAOYSA-N	317.458	3.495	10	20	DGCD	
CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C1CCOCC1	1348085129	DYXAOLLHJCDNFC-MRXNPFEDSA-N	312.404	3.326	10	20	DGCD	
COc1cc(F)ccc1N[C@@H](C)c1cc(C(=O)O)ccc1O	1610296011	HXOJNUXMNBAENV-VIFPVBQESA-N	305.305	3.411	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCCCC(=O)O	1595747671	IMDBCIRXBXMTLJ-UHFFFAOYSA-N	307.390	3.166	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccc(C(=O)O)c(F)c2)cc1F	1598305295	CZRMVOSYTRFTHX-UHFFFAOYSA-N	324.302	3.480	10	20	DGCD	
CCn1nccc1/C=C1/SC(Nc2ccccc2C)=NC1=O	152149568	BLNBIPYRDNZHNS-GXDHUFHOSA-N	312.398	3.294	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc(Br)o2)cc1	20146017	LCIBJUMJZFBGPK-UHFFFAOYSA-N	309.207	3.398	10	20	DGCD	
Oc1cc2c(cc1CNCc1ccc(F)c(Cl)c1)OCO2	53149792	UFNRODVHOGHQHB-UHFFFAOYSA-N	309.724	3.203	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1	79602999	WNCAYTCJMQYXAC-QGZVFWFLSA-N	312.417	3.127	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1c(F)cccc1F	87299400	PWSBTMWLCKULJO-UHFFFAOYSA-N	318.367	3.198	10	20	DGCD	
CC[C@H](N[C@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1	130293411	SFLQXPNDUJSRAR-ICSRJNTNSA-N	312.457	3.397	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H](OC)C(C)(C)C)CC2)cc1	154941926	GUANQMPPGQLZNA-SFHVURJKSA-N	320.477	3.315	10	20	DGCD	
CC(=O)CCCCCCC(=O)NCc1ccc(N(C)C)cc1	161059706	JSBXYXCNAZHUHK-UHFFFAOYSA-N	304.434	3.298	10	20	DGCD	
COC[C@H](NCc1ccc(N2CCSCC2)cc1)C(C)C	163621648	ZJFHCQSMWXPSTH-KRWDZBQOSA-N	308.491	3.000	10	20	DGCD	
Cc1[nH]ncc1[C@H](C)NCc1ccc(N2CCSCC2)cc1	180158134	PTWJIRRUDHMELZ-ZDUSSCGKSA-N	316.474	3.122	10	20	DGCD	
CCOC(=O)CC[C@@H]1CCCN(Cc2cccc(C)c2O)C1	180776896	OMZAZBNOQRETEN-HNNXBMFYSA-N	305.418	3.256	10	20	DGCD	
C[C@@H](NC[C@H]1CCCOC1)c1ccc(Br)cc1O	185090282	QSYHMVJZDHNJHY-GHMZBOCLSA-N	314.223	3.232	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ncccc3F)C2)c(O)c1	185687513	RTJDHJQVOGNBNN-ZIAGYGMSSA-N	315.392	3.164	10	20	DGCD	
C[C@@H](NCCc1nn(C)c2ccccc12)c1ccc(F)cc1O	186487959	QXORYQVRWIDFNL-GFCCVEGCSA-N	313.376	3.311	10	20	DGCD	
CC(C)Oc1ccc([C@H](C)NC(=O)c2cccc(O)c2O)cc1	192975750	AVPOMQKEUWYTOD-LBPRGKRZSA-N	315.369	3.376	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc2c(c1)CC(=O)N2C	264521904	ADPHQEGOTGKNBN-CQSZACIVSA-N	323.440	3.122	10	20	DGCD	
Cc1nc(C(C)(C)C)sc1C(=O)NCCc1ccc(N)cc1	269151710	RNYXHTRCRJOTSF-UHFFFAOYSA-N	317.458	3.304	10	20	DGCD	
C[C@@H](CCN(C)C)N[C@H](C)c1cc(Br)ccc1O	273466077	DSVSUGPATZEJIS-WDEREUQCSA-N	315.255	3.146	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC1(COC)CCC1	282557353	UOAFLTJLENLFRN-UHFFFAOYSA-N	320.433	3.131	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2ccccc2N(C)C)c1	290151082	LDEZGIZUOPTRTH-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
C[C@H](N[C@H]1CCN(c2ccccc2F)C1)c1ccccc1O	293272384	CLLOBTSVIWPFIG-KBPBESRZSA-N	300.377	3.461	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H](c1ccco1)N1CCCC1)CC2	296199990	YWDVIJUBWJBULJ-HOTGVXAUSA-N	312.413	3.399	10	20	DGCD	
C[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1	297181486	DYGCEBBZRRZVEU-LIRRHRJNSA-N	316.420	3.146	10	20	DGCD	
CC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)C(F)F	454878478	STBJWVQSFURSQW-LBPRGKRZSA-N	309.360	3.330	10	20	DGCD	
CO[C@@]1(C)CCCN(Cc2ccc(Br)cc2O)C1	691675617	JIASMNKNMUWZPG-AWEZNQCLSA-N	314.223	3.156	10	20	DGCD	
CCc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)ncn1	733188487	GLRNWHBSOLPWDO-CQSZACIVSA-N	312.417	3.049	10	20	DGCD	
CCOc1ccc(N(C)Cc2cc(C)c(C(=O)OC)o2)cc1	739924763	XNGLCCPHGVAGIE-UHFFFAOYSA-N	303.358	3.410	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC(Cc3ccccc3)C2)cc1	752268544	ORHIDCAVGWRWAH-UHFFFAOYSA-N	323.440	3.137	10	20	DGCD	
COC(=O)C1(CNCc2c(O)cccc2Cl)CCCCC1	753591590	MINDDWBKHOTIOR-UHFFFAOYSA-N	311.809	3.259	10	20	DGCD	
Cc1nc(C)c(NC(=O)NCc2ccc(N(C)C)cc2C)s1	757241911	NSXMHTDCFZASLM-UHFFFAOYSA-N	318.446	3.456	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CC[C@H]3SCCS[C@H]13)CCO2	762620393	ZXVIXRLZXDBVQW-FVQBIDKESA-N	307.484	3.091	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)CC(F)(F)F)c1	768270425	AIGQPTHREQAEIN-RKDXNWHRSA-N	305.296	3.170	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(Cl)cc2)c1O	774963630	FBSTWLFBAVRYQT-UHFFFAOYSA-N	322.748	3.252	10	20	DGCD	
CCC[C@@]1(CO)CCCN1Cc1cc(Cl)cc(OC)c1O	775178231	SLCFGXQOODFFHU-INIZCTEOSA-N	313.825	3.181	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(Cl)n1)c1ccc(N(C)C)cc1	775407729	UNJUIJRCNFFNEE-LLVKDONJSA-N	303.793	3.292	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCO[C@H](CC(C)C)C2)c(O)c1	776948544	FKSXFNCWOLXYMZ-NVXWUHKLSA-N	307.434	3.474	10	20	DGCD	
COc1cccc(CN2CCN(C3CC3)c3ccccc32)c1O	779226516	SSHWNXFIJGWKOS-UHFFFAOYSA-N	310.397	3.390	10	20	DGCD	
C[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCCC1	783357262	PNQKDCHBQLFSLT-LBPRGKRZSA-N	320.385	3.430	10	20	DGCD	
CC1(C)CCCC[C@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1	784336493	FAYKZQHHGZDGKR-ZDUSSCGKSA-N	320.385	3.430	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](CO)NCc1c(O)ccc(Cl)c1F	790966411	OJGXXLPPQSDWMW-NHYWBVRUSA-N	323.795	3.439	10	20	DGCD	
C[C@H](N[C@@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1O	799732132	VKAAVDOJNYLGSX-WFASDCNBSA-N	321.367	3.315	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCCCCCO	803295564	VVFXJRUZAOADSN-UHFFFAOYSA-N	307.415	3.475	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCSC1	805160157	VTMOWWCDISVLDA-SECBINFHSA-N	321.229	3.004	10	20	DGCD	
COc1ccc(O)c(CN2C[C@@H](C)CN(C)c3ccccc32)c1	809664943	MIQQVXYMHYZRET-AWEZNQCLSA-N	312.413	3.493	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)CN(C)C	814138674	ZOAJLVABPDGQCJ-GFCCVEGCSA-N	319.474	3.083	10	20	DGCD	
C[C@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Cl)c2O)C1	817412540	MJWQCBXQVVECKO-UWVGGRQHSA-N	304.217	3.149	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@H](Cc2ccccc2)C2CC2)cc1	817941898	LRISUMWKTLYADD-LEWJYISDSA-N	323.484	3.363	10	20	DGCD	
O=C1CN(Cc2ccccc2O)C(=O)N1CCC1CCCCC1	819165193	PTXWERCVNYHRGV-UHFFFAOYSA-N	316.401	3.127	10	20	DGCD	
COCc1csc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	832435603	CKEZXPVGAAONDU-GFCCVEGCSA-N	318.442	3.452	10	20	DGCD	
CC[C@H](NC[C@H]1CCOC[C@H]1OC)c1cccc(Cl)c1O	834880698	OEARSWVGDCYVLJ-BYCMXARLSA-N	313.825	3.138	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(F)cc1O	834903102	IGRUHGSZENKZNQ-WPKBUWHJSA-N	316.376	3.497	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)c1ccc(F)cc1	840928186	LWYMIJZPIXALQK-GOSISDBHSA-N	302.393	3.023	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cnc2ccccn12	840977722	XIZJCOOQGCBALI-INIZCTEOSA-N	322.456	3.430	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1O	841765068	UPTNFXOHLFGIGP-OBJOEFQTSA-N	324.852	3.343	10	20	DGCD	
CC(C)CC1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CCC1	843296626	BNHGPCSFWOBRDC-KRWDZBQOSA-N	317.477	3.085	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)C[C@H](C)N)c1C	843505000	SUYZHJBCJOXFKO-UONOGXRCSA-N	313.445	3.258	10	20	DGCD	
O=C(O)[C@H](CNCc1ccc(N2CCCCC2)cc1)CC1CC1	844291700	YCXGNSJCVWYCJH-KRWDZBQOSA-N	316.445	3.267	10	20	DGCD	
O=C(NCCC[C@@H]1CC1(Cl)Cl)NCc1ccccc1O	844940264	VMAMWYBROMHQAL-LLVKDONJSA-N	317.216	3.165	10	20	DGCD	
C/C(=C/c1ccco1)C(=O)N1CCOc2cc(N(C)C)ccc21	846898545	GZXQBAWPZSPMNB-QBFSEMIESA-N	312.369	3.175	10	20	DGCD	
CCNC(=N)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	848986802	DDFUSORGDGZTRL-LBPRGKRZSA-N	308.857	3.210	10	20	DGCD	
C[C@@H](N[C@@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1O	850538094	VQNYVEBQBHKXGI-RNCFNFMXSA-N	323.314	3.464	10	20	DGCD	
COCCN(CC=C(Cl)Cl)c1ccc(OC)c(OC)c1	851846632	DATFLNPGNRVUTK-UHFFFAOYSA-N	320.216	3.476	10	20	DGCD	
CN(C)c1ccc(/C=C\CNCC2(C(=O)O)CCCC2)cc1	854243034	VLAWABYQTPWFMC-WAYWQWQTSA-N	302.418	3.000	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)Cc2cccs2)c1	858135402	UBUVRTGEKGJXPV-GFCCVEGCSA-N	304.415	3.193	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCCc2cccs2)c1	858339446	XYROHZLXCGIYTF-UHFFFAOYSA-N	304.415	3.194	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C(C)(C)C)C(F)(F)F)c1	860966335	VSAZFJHEHVADTA-GFCCVEGCSA-N	318.339	3.477	10	20	DGCD	
CC[C@H](C)N(CCO)Cc1cc(C)cc(Br)c1O	862388179	XOYMVYRJOBEJSG-NSHDSACASA-N	316.239	3.056	10	20	DGCD	
COC/C(C)=C\C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863163935	UJKGSDMOJLVLNE-UVTDQMKNSA-N	312.413	3.303	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ncc2ccccn12	868109912	MVHQEFLTGXXHMP-UHFFFAOYSA-N	323.396	3.482	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1c(O)cccc1F	886522644	NVEOEPXKXWNCGB-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)Cc1ccccc1)c1c(O)cccc1F	886553440	NFSUDLPDIWEGCV-IIYDPXPESA-N	303.377	3.174	10	20	DGCD	
CSC1(CN[C@@H](C)c2c(O)cccc2F)CCN(C)CC1	886612190	FKYAJRLIZKIRKP-LBPRGKRZSA-N	312.454	3.009	10	20	DGCD	
COc1ccc(CNC[C@H](C)c2nc(C)cs2)c(O)c1OC	893562764	FGDRXLCOVLIMAW-JTQLQIEISA-N	322.430	3.068	10	20	DGCD	
C[C@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(O)cc1O	910958155	XOPRAACUDXLDFQ-GFCCVEGCSA-N	317.360	3.122	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(O)cc2)c(C)n1-c1ccccn1	916951954	MMZCMPDZFJTWAJ-UHFFFAOYSA-N	321.380	3.125	10	20	DGCD	
COc1ccc(OC)c(CN(C)c2ccc(OC)c(OC)c2)c1	920418948	YKCMCZIKPFQJPO-UHFFFAOYSA-N	317.385	3.357	10	20	DGCD	
COc1ccc(CNC[C@](C)(O)c2cccc(F)c2)cc1C	922567795	VRLFPADMFDMMGR-SFHVURJKSA-N	303.377	3.140	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@]1(c2ccccc2)CCCO1	934704761	IGTJTGSAJYNELA-IBGZPJMESA-N	311.381	3.057	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1coc(C2CCC2)n1	935945898	OPVCFVFTANKBPV-UHFFFAOYSA-N	321.373	3.063	10	20	DGCD	
CCC[C@H](C)CC(=O)NCCNCc1ccc(OC)c(C)c1	1124613392	NBETUYSFNLXFAY-AWEZNQCLSA-N	306.450	3.036	10	20	DGCD	
Cc1csc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1	1318959886	GUPPRCDERGCNHX-UHFFFAOYSA-N	315.442	3.322	10	20	DGCD	
CNCCC1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1326503450	SVWOIOQNFWXFBK-UHFFFAOYSA-N	301.478	3.108	10	20	DGCD	
CC(C)OC(=O)C(C)(C)NCc1ccc(N2CCCC2)cc1	1334248745	QZSPOKLYQCXPBT-UHFFFAOYSA-N	304.434	3.107	10	20	DGCD	
C[C@@H]1CN(c2nnc(-c3sccc3O)n2C)[C@H]2CCCC[C@@H]12	1339458685	RTTCCOUBFYMROZ-WOPDTQHZSA-N	318.446	3.264	10	20	DGCD	
CCc1oc(C(=O)O)cc1CN[C@@H](C)c1ccc(N(C)C)cc1	1610075159	AOHHQZPLTGXVBM-LBPRGKRZSA-N	316.401	3.457	10	20	DGCD	
CCN(CC)c1ccc(CNCCSC[C@H](C)C(=O)O)cc1	1776861065	HSHIOUUFNIPECS-AWEZNQCLSA-N	324.490	3.076	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc(/C=C/C(=O)O)cc2)SC1=S	1776874439	HYMBZLLBDSJWIU-ANKZSMJWSA-N	319.407	3.006	10	20	DGCD	
O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccnc1	23215562	RTIVSAYORIBYQZ-JYRVWZFOSA-N	314.391	3.193	10	20	DGCD	
Cc1cc(O)c(CN2CCN([C@@H](C)C(F)(F)F)CC2)cc1C	176068451	LARQRAXNVMMICU-ZDUSSCGKSA-N	316.367	3.077	10	20	DGCD	
CC[C@@H](C)NC(=O)CCN[C@H](CC)c1ccc(N(C)C)cc1	178715979	HRNFUIKKDUHLIW-RHSMWYFYSA-N	305.466	3.098	10	20	DGCD	
C[C@@H](c1nc(-c2cccnc2)no1)N(C)Cc1ccccc1O	112981660	ZQQRMFDAQMKRDK-LBPRGKRZSA-N	310.357	3.030	10	20	DGCD	
COc1cc(O)c(CN(C)CCCc2ccccc2)cc1OC	179438600	VNIKOUFIQHOHEW-UHFFFAOYSA-N	315.413	3.474	10	20	DGCD	
C[C@H](NC(=O)[C@@H](CN)C1CCCCCC1)c1ccccc1O	1342404362	HBSWUTZOJOUCIY-BBRMVZONSA-N	304.434	3.115	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]2c2cc(C)no2)c1O	64984341	HCGHFMHRMBIWNN-CQSZACIVSA-N	302.374	3.424	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)c1	301625631	HCGZBYAUBNVPJE-VIFPVBQESA-N	303.318	3.186	10	20	DGCD	
CC(C)C1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	176041189	PVGYSWMRQMLRLL-UHFFFAOYSA-N	303.450	3.330	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2ccccc2O)[C@@H]1Oc1ccccc1	186161925	URCUZOJPNNQFTQ-WDSOQIARSA-N	313.397	3.107	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CCC[C@H](C(C)C)C2)c1O	74091695	WVKNESUHYCBHDM-ZFWWWQNUSA-N	320.433	3.415	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2ccccc2F)CC1	180796776	SERGCCLQTRMLNX-SOFGYWHQSA-N	313.328	3.056	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(F)c1F	315030782	MOSKGGQIMNIJGV-UHFFFAOYSA-N	304.340	3.303	10	20	DGCD	
Cc1cc(O)c(CN2CCC(O)(c3ccccc3)CC2)cc1C	185642421	QTOLSGJGTMJOMW-UHFFFAOYSA-N	311.425	3.493	10	20	DGCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)c1c(F)cccc1F	136462979	AJDIYVBDAJOCIK-NSHDSACASA-N	305.324	3.433	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](C)NC(=O)OC(C)(C)C)cc1C	192958034	YNEHRASEEUGMDO-ZDUSSCGKSA-N	308.422	3.012	10	20	DGCD	
CS[C@H]1CCCCN(Cc2ccc(N3CCOCC3)cc2)C1	92064102	GOUPQXYMPCHYOM-SFHVURJKSA-N	320.502	3.241	10	20	DGCD	
CCOc1ccc(O)c(CN(C)Cc2cccc(N(C)C)c2)c1	93863602	MJINPLDGDZSEAN-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
COc1cccc([C@@H](CNCc2cc(C)ccc2O)OC)c1	527736328	KSVAEIHOLINAOM-GOSISDBHSA-N	301.386	3.187	10	20	DGCD	
C[C@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1	271867860	JTNBEILAZRAWCC-HOCLYGCPSA-N	316.445	3.059	10	20	DGCD	
CN(C)c1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1F	371811955	YVDBQOJOMXCXKH-INIZCTEOSA-N	306.425	3.140	10	20	DGCD	
CN(C)c1ccc(CNc2nncs2)c(C(F)(F)F)c1	280100977	UOULYCACUZHVHQ-UHFFFAOYSA-N	302.325	3.235	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2CCn3ccnc3C2)c1O	808715530	VLILYIHOQWRABP-AAEUAGOBSA-N	305.809	3.216	10	20	DGCD	
O=C(NC1(CCOCc2ccccc2)CC1)c1cc(O)cs1	807660188	AQLBCYZXSCZJOY-UHFFFAOYSA-N	317.410	3.323	10	20	DGCD	
CC(C)(C[C@H]1CCCN(Cc2c(O)cccc2Cl)C1)C(N)=O	294866882	UIOHMZILSOETSO-GFCCVEGCSA-N	324.852	3.159	10	20	DGCD	
OC[C@H]1c2ccccc2CCN1Cc1cc(Cl)c(F)cc1O	816513642	XHPQMDZGSGBFAI-INIZCTEOSA-N	321.779	3.276	10	20	DGCD	
CN1CCN(c2ccc(CN3CC(C)(C)[C@@H]3C3CC3)cc2)CC1	811513967	XYSSTQNARPQMGT-IBGZPJMESA-N	313.489	3.059	10	20	DGCD	
Cc1cccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1C	816788738	TWBAFHZHTJPIMX-CSKARUKUSA-N	311.381	3.386	10	20	DGCD	
Cn1ncc(C2CC2)c1CNCc1cc(Cl)cc(F)c1O	827251301	GBPMRZVDUHFGOO-UHFFFAOYSA-N	309.772	3.085	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1	824838952	TZGKZGCABWPJIV-VURPSTOHSA-N	319.404	3.444	10	20	DGCD	
C[C@H]1CCC[C@](CNCc2ccc(N(C)C)c(F)c2)(N(C)C)C1	733325817	YOMMPPHEWJDVPK-KXBFYZLASA-N	321.484	3.492	10	20	DGCD	
COc1cc(C)ccc1/C=C1/SC(N2CCCCC2)=NC1=O	834408987	PIBSTADXZLWHNA-RVDMUPIBSA-N	316.426	3.460	10	20	DGCD	
COc1cccc(C)c1/C=C1\SC(N2CCCCC2)=NC1=O	834408822	NDYOBIMGVLTEQE-PTNGSMBKSA-N	316.426	3.460	10	20	DGCD	
CN(C)c1ccc(/C=C\CNC2(CC(=O)O)CCCC2)cc1	901687503	QIQOAOAKXSDBKU-WAYWQWQTSA-N	302.418	3.143	10	20	DGCD	
COCC1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCCC1	834904703	BKDUHTRVQKUZFI-GFCCVEGCSA-N	308.378	3.158	10	20	DGCD	
CN(C)c1ccc(CNC(=O)/C=C/c2cccc(F)c2)cc1F	746798329	UKRKXOMLODZIPS-VQHVLOKHSA-N	316.351	3.360	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CCCO1	914724858	ANUGHSCJGCMVSQ-GOSISDBHSA-N	318.461	3.449	10	20	DGCD	
CC[C@H](NCc1nnn(C(C)(C)C)n1)c1cc(Cl)ccc1O	848560880	MNHIRIKKVCZWJG-LBPRGKRZSA-N	323.828	3.028	10	20	DGCD	
Cc1cc(CN2CCCC[C@@H]2CCC(=O)O)ccc1N(C)C	846281073	KEAAJQBFGYPUBW-MRXNPFEDSA-N	304.434	3.280	10	20	DGCD	
C[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O	841747687	DIGIWJSDWCEGHI-PWSUYJOCSA-N	310.825	3.096	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](CO)[C@H](C)c2ccccc2)c1	756711475	LCWXJEPPUDWCLD-GLJUWKHASA-N	315.413	3.216	10	20	DGCD	
CCCCNC(=O)[C@H](C)N(C)Cc1ccc(N(CC)CC)cc1	857757966	YRBVNLFMPNCOOY-INIZCTEOSA-N	319.493	3.269	10	20	DGCD	
Cc1cc(CN2Cc3ccc(C(=O)O)cc3C2)ccc1N(C)C	851706652	WREITGSUNQFCMZ-UHFFFAOYSA-N	310.397	3.275	10	20	DGCD	
O=C(CCc1ccccc1F)NCc1cc(Cl)ccc1O	857547420	COUVQUZGMMYSQD-UHFFFAOYSA-N	307.752	3.434	10	20	DGCD	
OC[C@@H](CC(F)F)NCc1cc(-c2ccccc2)ccc1O	758616109	QAQMBLXRLHTVBE-OAHLLOKOSA-N	307.340	3.165	10	20	DGCD	
CC(C)C[C@@H](O)CN[C@H](C)c1ccc(Br)cc1O	756496435	HKXQPQACAUMWPP-ZYHUDNBSSA-N	316.239	3.212	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@@]2(N(C)C)CCSC2)c2c(O)ccc(F)c21	756638600	UWZGVILSYBXIRJ-NDGTYSDOSA-N	324.465	3.107	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@H](C)N2CCc3ccccc32)c1	862754180	TXUZFIQDZRPOGZ-HNNXBMFYSA-N	324.424	3.158	10	20	DGCD	
C[C@H]1CCSCCN1Cc1c(O)cccc1Br	862343447	NVZXPYREQGTBBX-JTQLQIEISA-N	316.264	3.482	10	20	DGCD	
Cc1cccc2ncc(CN3CCOc4cc(N(C)C)ccc43)n12	765655097	KIZSECDIRZCFAA-UHFFFAOYSA-N	322.412	3.108	10	20	DGCD	
CCCOc1ccc(CN[C@@H](CCO)C2CCOCC2)cc1C	873105947	CUBNEBCDIZEDTI-SFHVURJKSA-N	321.461	3.051	10	20	DGCD	
C[C@H](NC(=O)c1noc2c1CCCC2)c1ccc(N(C)C)cc1	773008313	NPFMNQSZDWDERI-LBPRGKRZSA-N	313.401	3.110	10	20	DGCD	
CCN(C)c1ccc(CN(C)C2CCC(NC(C)=O)CC2)cc1	773841709	UCCGFTCBLSOKKW-UHFFFAOYSA-N	317.477	3.022	10	20	DGCD	
CC(C)n1cc(NCc2cc(Cl)cc([N+](=O)[O-])c2O)cn1	777465229	FNXHRNNDRPDWKQ-UHFFFAOYSA-N	310.741	3.343	10	20	DGCD	
CC[C@H](NC[C@H](COC)OC)c1ccc(Cl)c(Cl)c1O	775546695	KUKFSDHPPNSIOX-SKDRFNHKSA-N	322.232	3.401	10	20	DGCD	
COC1(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCC1	780088253	IIUYRLVJYRZQNA-UHFFFAOYSA-N	312.413	3.393	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NC/C=C/Cl)C2CC2)cc1	899055697	PTJIHGQGBMVIKB-XCVCLJGOSA-N	307.825	3.179	10	20	DGCD	
CN(C)c1ccc([C@@H](CNC(=O)C2(C)CCCC2)N(C)C)cc1	891251063	CUWDIXXBVHFDGJ-QGZVFWFLSA-N	317.477	3.052	10	20	DGCD	
Cc1cc(C)c(CCNC(=O)c2c(F)ccc(O)c2O)c(C)c1	789994145	LXJYZNYNDCOURN-UHFFFAOYSA-N	317.360	3.135	10	20	DGCD	
COc1cc(Br)cc(CN[C@@H]2CC[C@@H](C)C2)c1O	780579096	ZDSLEYZVHPIHME-BXKDBHETSA-N	314.223	3.442	10	20	DGCD	
CC[C@@H](C)N(CC(=O)OC)Cc1cc(Cl)cc(Cl)c1O	798955214	MEPFSRSHEZBHKM-SECBINFHSA-N	320.216	3.473	10	20	DGCD	
Cc1nc(CNCc2ccc(Br)cc2O)cs1	691439467	FWJODBXPHRNJQD-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
COc1ccc(CNCCCNC(=O)CCCC2CC2)cc1C	1164284233	XWKYKKAQRRXGEK-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
CCOC(=O)C[C@@H]1CCCN1Cc1c(O)ccc(Cl)c1F	1321863030	HKEKNXYNVNDGAP-JTQLQIEISA-N	315.772	3.102	10	20	DGCD	
COC1(CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)CCOCC1	1320253305	TWKODAHELHLFIB-KGLIPLIRSA-N	305.418	3.034	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CCN(CC(F)F)C1	1345143628	WIVWMLYJIGOMTF-AGIUHOORSA-N	310.388	3.178	10	20	DGCD	
CCc1oc(C(=O)O)cc1CN[C@H](C)c1ccc(N(C)C)cc1	1610075145	AOHHQZPLTGXVBM-GFCCVEGCSA-N	316.401	3.457	10	20	DGCD	
Nc1ccc(CN2CCC(n3c(O)nc4ccccc43)CC2)cc1	1580443413	CRIVHBXDPAVIRY-UHFFFAOYSA-N	322.412	3.161	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(CCC(=O)O)cc2)c1	1599598385	LGYDYPCJAVELSB-UHFFFAOYSA-N	301.342	3.030	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1c[nH]c(C(=O)O)c1	1599628171	GABVQGBVZOBARJ-UHFFFAOYSA-N	300.358	3.064	10	20	DGCD	
COc1ccc2c(c1)CCN2[C@H](C(=O)O)c1ccc(F)c(F)c1	1777373348	VKUVZTGZPNYCSV-INIZCTEOSA-N	319.307	3.162	10	20	DGCD	
Cc1cccc(CNC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1O	715139453	GKTWXCNHAVRGEB-OTVXOJSOSA-N	320.433	3.094	10	20	DGCD	
CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1O	109773404	ACOLOLREVRQLKA-UHFFFAOYSA-N	304.777	3.116	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC=CCC1	115811485	AQCZSOYGRBKDBH-OAHLLOKOSA-N	301.434	3.217	10	20	DGCD	
Cc1ccc(O)c([C@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c1	186326141	CCWGWKZGXUAFLN-LBPRGKRZSA-N	312.369	3.229	10	20	DGCD	
C[C@@H](C1CC1)N(C(=O)NCc1ccc(N(C)C)cc1)C1CC1	77412746	LMHWLSQNXODBAG-ZDUSSCGKSA-N	301.434	3.225	10	20	DGCD	
COc1cccc(CN[C@H](C)c2ccc(F)cc2O)c1OC	185076857	ZBNZLUWKEPXGTH-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
CC(=O)c1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1	73407312	AIISZEQIRKSXKQ-UHFFFAOYSA-N	310.397	3.227	10	20	DGCD	
CCC1=C(C(=O)NCc2ccc(N3CCCC3)cc2)CCCO1	188613291	VFCDCUGYSIDURK-UHFFFAOYSA-N	314.429	3.378	10	20	DGCD	
C[C@H]1CCC[C@@]1(O)CNCc1ccc(N2CCCCC2)cc1	328182208	NPAOEOSPACUARE-QFBILLFUSA-N	302.462	3.318	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1	90802179	IETGWHRXZMDIKR-NVXWUHKLSA-N	310.445	3.077	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CN(C)Cc3ccccc32)c1	370376191	XDDZTXHKNZYWNC-SCLBCKFNSA-N	312.413	3.238	10	20	DGCD	
C[C@H](N[C@H]1CCCC12CCOCC2)c1cc([N+](=O)[O-])ccc1O	282702930	KZKJKWRMFXFFNF-LRDDRELGSA-N	320.389	3.300	10	20	DGCD	
Cc1c(CNC(=O)N2CC[C@@H](C3CC3)C2)n(C)c2ccccc12	472224454	QDRCOGLEVJQINU-OAHLLOKOSA-N	311.429	3.428	10	20	DGCD	
C[C@H](CCCO)CN[C@H](C)c1cc(Br)ccc1O	295859853	BKIGBWSWOSTGKW-GHMZBOCLSA-N	316.239	3.214	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)C(F)F)cc1	800108965	LPUQZVXJVQHWRZ-UHFFFAOYSA-N	307.296	3.085	10	20	DGCD	
CCC[C@@]1(CO)CCN(Cc2cc(Cl)cc(OC)c2O)C1	290232688	SZWGKXFSAWWXLR-MRXNPFEDSA-N	313.825	3.039	10	20	DGCD	
CCC(CC)n1ncc(C(=O)NCc2ccc(N)cc2)c1C	296852873	CQDWSXLKFNMLOT-UHFFFAOYSA-N	300.406	3.065	10	20	DGCD	
COc1ccc(CNCc2noc(-c3cccs3)n2)cc1C	294738371	DSZZAMHFYQXZQR-UHFFFAOYSA-N	315.398	3.405	10	20	DGCD	
CC[C@H](NCCNC1CC1)c1ccc(Cl)c(Cl)c1O	817954020	VCFDJVHRANPBHE-LBPRGKRZSA-N	303.233	3.492	10	20	DGCD	
CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	812484147	VRIRVMOEXKTSAC-QGPMSJSTSA-N	316.445	3.137	10	20	DGCD	
C[C@@H](NCCCNC1CC1)c1ccc(Cl)c(Cl)c1O	817984366	RHFMFSKBWCSKLQ-SECBINFHSA-N	303.233	3.492	10	20	DGCD	
C[C@@H](NCc1ccc2cnn(C)c2c1)c1ccc(N(C)C)cc1	812736347	BCIZOMVSSTUYMP-CQSZACIVSA-N	308.429	3.490	10	20	DGCD	
O=C(NCCCSc1nccs1)N[C@@H]1C[C@H]1C1CCC1	824433717	JSEOJFJAQOYPSD-NWDGAFQWSA-N	311.476	3.113	10	20	DGCD	
Oc1ccc(F)cc1CN1CCOC[C@H]1c1ccc(F)cc1	825046083	PUNXNEGBDYUKPQ-INIZCTEOSA-N	305.324	3.244	10	20	DGCD	
C/C(=C\C(=O)N1CCCc2cc(C)cc(C)c21)c1cnccn1	839296314	KHROGCLKRSCHAR-SDNWHVSQSA-N	307.397	3.476	10	20	DGCD	
CCC1(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)COC1	834901223	YUUOKMAFQOLNOA-JTQLQIEISA-N	303.324	3.488	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	916584305	AGXKQCNXGFQUKZ-JSRQGNBESA-N	314.429	3.358	10	20	DGCD	
CC[C@@H](NCC[C@@]1(O)CCCOC1)c1cc(Cl)ccc1O	846214835	WYNYDTRWWGVPDX-ZBFHGGJFSA-N	313.825	3.018	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](C)CN2CCCCC2)c1O	846146981	UFFSPYBKHAEHAW-CABCVRRESA-N	306.450	3.173	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1(C)CCC1	840481518	JWZGXIVENPWMCN-CQSZACIVSA-N	303.450	3.234	10	20	DGCD	
CCN(C(=O)/C=C\c1cnc(C(C)(C)C)s1)c1cnn(C)c1	848342520	NMAIOHIEFIDOSQ-FPLPWBNLSA-N	318.446	3.240	10	20	DGCD	
C[C@@H](N[C@H](C)c1cc(Br)ccc1O)c1ccn(C)n1	840815959	JFSWHTCPUSPGCN-NXEZZACHSA-N	324.222	3.300	10	20	DGCD	
CC[C@](C)(CC(=O)OC)NCc1ccc(N2CCCCC2)cc1	748246873	QPPYWMFPMJREJP-LJQANCHMSA-N	318.461	3.498	10	20	DGCD	
CC(C)n1cc([C@H](C)NCc2ccc3c(c2)CCCN3C)nn1	924870226	KFQAYYUZBLECRV-AWEZNQCLSA-N	313.449	3.092	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@]1(C)CCO[C@H]1C1CC1	840937131	HWEZEORQJVZLKC-OALUTQOASA-N	302.462	3.356	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1nc(-c2ccccc2)no1	840940267	YCUMRZDORLFQGN-UHFFFAOYSA-N	322.412	3.401	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN1CC(F)(F)F)c1c(O)cccc1F	926922209	IOQXFTMSTQSTTM-QWRGUYRKSA-N	320.330	3.209	10	20	DGCD	
CSCCCCCCNC(=O)NCc1cc(C)ccc1O	858359180	MFTRISJXBWQULN-UHFFFAOYSA-N	310.463	3.423	10	20	DGCD	
CC[C@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)O1	756916352	LWNYURVRYYSAPX-ROUUACIJSA-N	318.461	3.447	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2ccc3c(c2)OCO3)c1	756795244	JZHANXSZFRGRNS-JTQLQIEISA-N	315.325	3.081	10	20	DGCD	
COc1ccc(N(C)Cc2cnc(OC)c(Cl)c2)cc1OC	751964312	BLPSNYYNEQXXSP-UHFFFAOYSA-N	322.792	3.397	10	20	DGCD	
C[C@H](NCCN1CCCCC1)c1cc2c(cc1O)CCCC2	756396854	LTYODJDPYBXVSI-HNNXBMFYSA-N	302.462	3.408	10	20	DGCD	
COc1cccc(O)c1CN1CCc2c([nH]c3ccccc23)C1	769512434	DTVVYVCDZJTHKF-UHFFFAOYSA-N	308.381	3.440	10	20	DGCD	
CCOc1ccc(CN(CC)CCc2ccccn2)c(O)c1	769035868	XGRMUGPIJGSYNY-UHFFFAOYSA-N	300.402	3.251	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@H]2OCCc3ccccc32)c1	862759590	GVNFLVNDSUGILG-GOSISDBHSA-N	311.381	3.021	10	20	DGCD	
COC(=O)CCC(C)(C)NCc1cc(Cl)cc(F)c1O	762788164	VMLZVYJAQRETDM-UHFFFAOYSA-N	303.761	3.006	10	20	DGCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1cc(-c2ccccc2)ccc1O	765794505	CTLACDVCANISMH-ZWKOTPCHSA-N	324.424	3.064	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H]4C[C@H]4C3)c2C)cc1	862550371	JZUVHMWESIPTBO-GJZGRUSLSA-N	310.397	3.195	10	20	DGCD	
Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CC2	779513699	IIDSANKTKAPBRE-UFNQUYMESA-N	309.365	3.223	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1ccco1)Cc1ccco1	770955041	JYNFVYOPLSBJFE-UHFFFAOYSA-N	303.339	3.482	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@@H](OCC(F)(F)F)C1	778999808	KQGMQSMBDMOQRV-GFCCVEGCSA-N	307.287	3.075	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1CCCc2ccc(F)c(F)c21	770382373	FCIRLOFFKITYAF-YVMONPNESA-N	300.308	3.352	10	20	DGCD	
Cc1cccc(O)c1CNCC1CCN(CC(F)(F)F)CC1	877460994	ZUWRFAMNBYWBCD-UHFFFAOYSA-N	316.367	3.065	10	20	DGCD	
CN(C)Cc1ccc(NCc2cc(F)cc(F)c2O)cc1F	883068968	PARGFTDXQYBCTM-UHFFFAOYSA-N	310.319	3.483	10	20	DGCD	
Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1Cl	783458889	ZNPUUDDQBRNQAE-UHFFFAOYSA-N	320.728	3.099	10	20	DGCD	
CCCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	891252139	GTTFVJXIUISCHD-QGZVFWFLSA-N	305.466	3.052	10	20	DGCD	
COC(=O)C[C@@H]1CN(Cc2ccc(N(C)C)cc2)c2ccccc21	780774168	JWRXRAVHFYVZCS-MRXNPFEDSA-N	324.424	3.420	10	20	DGCD	
OCCc1ccc(CNCc2cc(Cl)cc(F)c2O)cc1	898171579	XQEKJUVHRMKQKP-UHFFFAOYSA-N	309.768	3.009	10	20	DGCD	
C[C@H](NCc1n[nH]cc1Br)c1ccc(N(C)C)cc1	718141168	KVNBSPSLJBSXNR-JTQLQIEISA-N	323.238	3.089	10	20	DGCD	
c1cc(O[C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)ccn1	1204329094	WTZJQPCCFZNGEV-HXUWFJFHSA-N	323.440	3.335	10	20	DGCD	
Cc1cc(O)c(CN2CCN(C(=O)CC(C)C)CC2)cc1Cl	1231870037	GVFUGUMYOFLHPR-UHFFFAOYSA-N	324.852	3.044	10	20	DGCD	
CCn1c(C(=O)NCc2ccc(OC)cc2O)cc2ccccc21	1339652564	NUZOJHKVYWAPJU-UHFFFAOYSA-N	324.380	3.305	10	20	DGCD	
CC[C@@H](C)n1nccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O	1346695964	OSZZJZJSKPYJQJ-NEPJUHHUSA-N	317.389	3.059	10	20	DGCD	
O=C(O)c1cnc(Sc2nccs2)cc1C(F)(F)F	1608979392	YLQXACOBTZUFBI-UHFFFAOYSA-N	306.290	3.406	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2cc(C(=O)O)ccc2O)C12CCC2	1610034667	UBSMXLTVBNFHKB-XFBWCDHKSA-N	319.401	3.089	10	20	DGCD	
C[C@@H](NC1CCN(C)CC1)c1ccc(N2CCCCC2)cc1	161509511	IENXTPRZMQNTKJ-MRXNPFEDSA-N	301.478	3.422	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(C(=O)OC)CC2)cc1F	159198769	NFMYIOGNLMTGRR-UHFFFAOYSA-N	322.424	3.057	10	20	DGCD	
CCc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1	104974417	ZZIQZUQNGSFSFM-UHFFFAOYSA-N	300.358	3.285	10	20	DGCD	
FC(F)(F)c1cc(N2CCOCC2)ccc1CNCC1CC1	66973576	AWELVVKIAQMJQC-UHFFFAOYSA-N	314.351	3.042	10	20	DGCD	
O=C(NCC1CCC1)N(Cc1ccco1)Cc1ccccc1O	171013844	ITIPPABKZSBKRW-UHFFFAOYSA-N	314.385	3.497	10	20	DGCD	
Cc1cccc2nc(CNCc3c(O)cccc3Cl)cn12	113340692	KCPZWWMONCBXQN-UHFFFAOYSA-N	301.777	3.292	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)Cc2cc(Cl)cn2C)c1O	120273759	APGCTCLSQQCJQW-UHFFFAOYSA-N	324.783	3.358	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCCN(CC(C)C)C2)c1	186142546	IZIKNLMRWCXNOZ-HOTGVXAUSA-N	320.477	3.419	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(C)CCCC1	70904308	POBCFQDIDPSPQS-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C[C@H](C)O)C2CCCCC2)c1O	79410985	CKRJBLJFZIEDJY-LBPRGKRZSA-N	323.408	3.249	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)ccn1	120051886	JMSPSSFZZNJJOF-UHFFFAOYSA-N	310.401	3.094	10	20	DGCD	
C[C@@H](NCc1cccc(OCCN(C)C)c1)c1ccccc1O	183428215	JEXOARGVIMXXMW-OAHLLOKOSA-N	314.429	3.183	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(OC)c(C#N)c2)c1	182381136	LHEUBFQUSIZOSX-GFCCVEGCSA-N	312.369	3.132	10	20	DGCD	
COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(F)c(F)c1O	191212975	PYANCCHYUOZAHV-QMTHXVAHSA-N	323.339	3.063	10	20	DGCD	
CN1CCN(C(=O)/C=C\c2cccnc2)c2cc(Cl)ccc21	255697111	KHOVHTCTNVFPOY-DAXSKMNVSA-N	313.788	3.231	10	20	DGCD	
Cc1cccnc1[C@@H](NC(=O)NCc1ccccc1O)C(C)C	265240680	OWBVCUWLVUMMSP-INIZCTEOSA-N	313.401	3.292	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@H](O)c1cccc(F)c1	267180343	KANYPYIZICFYJA-XIKOKIGWSA-N	320.383	3.243	10	20	DGCD	
COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1C	278238722	VTVCWYXRQIKQNA-MDWZMJQESA-N	305.424	3.367	10	20	DGCD	
Cc1cccc(CN2CCc3c(ncn3-c3ccccc3)C2)c1O	272640848	OHWPAIIBNJRQBM-UHFFFAOYSA-N	319.408	3.445	10	20	DGCD	
CC[C@H]1C[C@@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1	272578592	KTNPHWOBRRIQMM-WMZOPIPTSA-N	318.461	3.306	10	20	DGCD	
Oc1ccccc1CN(CCc1cscn1)C[C@H]1CCCO1	283892747	JCIONJVPEHVSQR-MRXNPFEDSA-N	318.442	3.072	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCc3cc(F)ccc32)c1O	802657964	XKFPJIPFKBIPMW-UHFFFAOYSA-N	318.304	3.011	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)c1	801530263	ZVZFEGZICFDGNK-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
CC1CCN(c2ccc(CNC3C[C@@H]4CC[C@H](C3)N4)cc2)CC1	817901309	BDAAIADPHOMHRD-DFNIBXOVSA-N	313.489	3.296	10	20	DGCD	
CC[C@H](NC[C@H]1NCCc2ccccc21)c1ccc(F)cc1O	817975043	QELIMCMMCJZYIW-ZWKOTPCHSA-N	314.404	3.459	10	20	DGCD	
NC(=O)Nc1cc(NCc2c(O)cccc2Cl)ccc1F	814301415	ZCZRIXYVMYTQLG-UHFFFAOYSA-N	309.728	3.287	10	20	DGCD	
COc1ccc(C(=O)Nc2ccc(N)cc2)c(OCC2CC2)c1	818556229	BWURDYDEXDHSMZ-UHFFFAOYSA-N	312.369	3.319	10	20	DGCD	
Cc1ccc2c(c1)CC[C@H]2NC[C@@H](N)c1ccc(N(C)C)cc1	817938559	MZMAICANSUOCOG-WOJBJXKFSA-N	309.457	3.338	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@@H](N3CCCC3)C[C@@H]2C)cc1	815117415	MDEIFLGRGXIFKK-LPHOPBHVSA-N	301.478	3.201	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC=CO1	813684838	XYMPEVBEWZXUAQ-NSHDSACASA-N	302.157	3.008	10	20	DGCD	
C[C@H](N[C@H]1CCCNCC1)c1ccc(N2CCCCC2)cc1	817969088	QZRWJUPJVPJBPP-WMZOPIPTSA-N	301.478	3.470	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OC)c(F)c2)c1	728985000	UWIVFNYFVOWVRO-SNVBAGLBSA-N	319.332	3.040	10	20	DGCD	
CCOc1ccc(N(C)Cc2cccc(S(C)(=O)=O)c2)cc1	824130826	LDSRYSXJPAPLIG-UHFFFAOYSA-N	319.426	3.125	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)[C@H](OC)C2CC2)ccc1OC	825098208	CVASZTPKWONYPU-UGSOOPFHSA-N	307.434	3.135	10	20	DGCD	
CN(CCCCNC(=O)c1cc(O)cs1)c1ccccc1	732276352	HVFSYCSVIADHQZ-UHFFFAOYSA-N	304.415	3.100	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC[C@H]1C[C@@H](O)c1cccs1	839707136	SUBUMQKTIIXNQU-CMPLNLGQSA-N	323.439	3.244	10	20	DGCD	
CC(C)(CNC(=O)NCc1ccccc1O)Cc1ccccc1	735382946	LGNHNQKVVFVFOX-UHFFFAOYSA-N	312.413	3.460	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2ncco2)c1	588408591	KGZGAXVFTMQSLF-ALCCZGGFSA-N	322.320	3.405	10	20	DGCD	
C/C(=C\C(=O)N1CCCc2cc(C)cc(F)c21)c1cnccn1	839258349	SWUUOWXMUUCAQB-JLHYYAGUSA-N	311.360	3.307	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1	839912218	CMNRYDMMEKQRBF-ZDUSSCGKSA-N	300.402	3.323	10	20	DGCD	
CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1	841298322	ADTBJRFFWLMIBO-DOMZBBRYSA-N	316.405	3.113	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@](C)(O)c2cccs2)c1O	846144337	KMAYGKQSOMIXGC-BDJLRTHQSA-N	307.415	3.021	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCO[C@]2(CCSC2)C1	840937486	VAKJYIAFYXZKFC-SJLPKXTDSA-N	320.502	3.205	10	20	DGCD	
CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1ccc(N)cc1	841299218	XBHRGWAFHXSSNJ-HUUCEWRRSA-N	305.422	3.326	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C(F)(F)c2ccccc2)cc1F	746803190	OIZSSRBIAKAZCC-UHFFFAOYSA-N	322.330	3.300	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H]2CCOC3(CCC3)C2)c1O	846168193	IBXUEVGJVDTRQA-ZIAGYGMSSA-N	305.418	3.401	10	20	DGCD	
c1cc2c(c(CNCc3ccc(N4CCOCC4)cc3)c1)CCC2	845924860	GBNLSGIURJPOBJ-UHFFFAOYSA-N	322.452	3.302	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@@H]1CCCN2CCCC[C@@H]12	848927253	DHYZRIGEKSNBJK-CABCVRRESA-N	312.816	3.291	10	20	DGCD	
Nc1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1	841300522	SIXKJEDYFPGMMX-UHFFFAOYSA-N	301.312	3.465	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ncc(Cl)n1C	840975164	DFQWMXVJESZAKW-ZDUSSCGKSA-N	320.868	3.169	10	20	DGCD	
CO[C@@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)CC(C)C	841889026	YBJXSCWGFFTHDW-GFCCVEGCSA-N	316.785	3.105	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@H]1CCCN1CC(F)F	858232519	ZVNUOIKFILEHQG-SECBINFHSA-N	322.758	3.004	10	20	DGCD	
CCCC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1	759164498	ZGRVOFSTYCFKBG-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
COC(=O)CCC1CCN(Cc2cc(C)c(C)cc2O)CC1	753167602	ACCIPFBTJGXQHG-UHFFFAOYSA-N	305.418	3.174	10	20	DGCD	
CC1CCN(C[C@@H](C)N[C@@H](C)c2cc(F)cc(F)c2O)CC1	850544116	TUPRETARZZTSTJ-OLZOCXBDSA-N	312.404	3.441	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c(F)c1	756756287	HCVZXUODFLPNDI-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
C[C@@H]1C[C@H](NCCC(=O)N2CCCCC2)c2c(O)ccc(F)c21	756433737	YGYRENBFOGVUJQ-OCCSQVGLSA-N	320.408	3.072	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	768286484	LGYLNBYOYBDTIP-VXGBXAGGSA-N	321.298	3.229	10	20	DGCD	
CN(Cc1cccc(O)c1)Cc1cc(F)c(N(C)C)cc1F	862213116	VQLFPHKRPYNYBE-UHFFFAOYSA-N	306.356	3.368	10	20	DGCD	
COc1ccc(C=O)cc1C(=O)Nc1cccc(N2CCCC2)c1	864929494	OECLFWQCZQNMPH-UHFFFAOYSA-N	324.380	3.360	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2CCCOC2)c(C)n1-c1ccccc1	863164788	AUXNGIIKUGJACR-MRXNPFEDSA-N	312.413	3.137	10	20	DGCD	
Cc1cc(CC(=O)NCc2cc(C)n(-c3ccccc3)c2C)no1	863166252	VEWZGOKWBVKASW-UHFFFAOYSA-N	323.396	3.249	10	20	DGCD	
Cc1ccccc1NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775829934	BATQXJIUBQCUJO-HNNXBMFYSA-N	311.429	3.350	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2ccc(N(C)C)cc2C)C12CCC2	776156605	LUCQJVYAWGSTQX-ROUUACIJSA-N	302.462	3.498	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@]2(C)CCCOC2)c1O	777507900	RWZQZSMGUHBGAV-AWEZNQCLSA-N	314.223	3.122	10	20	DGCD	
Cc1cc(CN2CC[C@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1	776774376	BSZMLUCPUYXUPA-HNNXBMFYSA-N	314.433	3.037	10	20	DGCD	
C[C@@H](NCCc1ccn(C)n1)c1cc(Cl)c(Cl)cc1O	774354604	AEVDJYWWEMKLNW-SECBINFHSA-N	314.216	3.326	10	20	DGCD	
COc1ccc(O)c(CNC2(c3ccccc3)CCOCC2)c1	776174885	JFSFBIQXQRASHN-UHFFFAOYSA-N	313.397	3.196	10	20	DGCD	
COc1cc(N2C[C@@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1OC	784180176	CGERCJHHEAVZHJ-NSHDSACASA-N	308.378	3.484	10	20	DGCD	
CCN1CCC[C@@H](CNCc2c(O)ccc(Cl)c2F)C1	790961960	FTCQARUBTIVHIR-NSHDSACASA-N	300.805	3.006	10	20	DGCD	
C[C@H](CCO)CNCc1ccc2c(c1)CCN2Cc1ccccc1	796314900	ICJKGXMENZPRCA-QGZVFWFLSA-N	324.468	3.357	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@@H](C[C@@H]2CCOC2)C1	894779607	JOMOWKGADABWTD-STQMWFEESA-N	311.372	3.309	10	20	DGCD	
CCOc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1	797606715	MHLVIZCAIBGYOI-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	796318283	AHHXCGOWOHJBJS-AAEUAGOBSA-N	306.358	3.040	10	20	DGCD	
COc1cc(O)c(CN(C)[C@H]2CC[C@@H](SC)C2)cc1OC	1319798294	GYOZZKCQPPTATP-QWHCGFSZSA-N	311.447	3.125	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2ccc(C(C)(C)C)nn2)c1	1329979735	PCQDVRVGLXJYRW-UHFFFAOYSA-N	314.389	3.110	10	20	DGCD	
CC(C)[C@@]1(CO)CCN(Cc2cc(Cl)c(F)cc2O)C1	1324333075	FCANZIFPNQGAOV-HNNXBMFYSA-N	301.789	3.025	10	20	DGCD	
CCCOc1ccc(CNC[C@H](CC(=O)O)C(F)F)cc1C	1261890111	USIDHHSZFBHFJG-ZDUSSCGKSA-N	315.360	3.229	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cccc3c2OCC3)cc1	1261816155	ARTKPXPSHLFIDZ-UHFFFAOYSA-N	311.385	3.009	10	20	DGCD	
CO[C@@H]1CCC[C@@H](CC(=O)Nc2c(Cl)ccc3nonc23)C1	1342953723	ZITHKAWSDVIPQV-NXEZZACHSA-N	323.780	3.410	10	20	DGCD	
O=C(O)CN(Cc1cccs1)Cc1cc(Cl)ccc1O	1608748193	XRKSVURZORHOCG-UHFFFAOYSA-N	311.790	3.194	10	20	DGCD	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(N)cc1	1575631302	IXSRXNNSIYIHDZ-CQSZACIVSA-N	322.405	3.114	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1	158895770	JYJIPUFKGAXLPA-UHFFFAOYSA-N	311.259	3.047	10	20	DGCD	
O=C1CCCN1c1ccc(NCc2c(O)cccc2Cl)nc1	158952863	KPZIHSTXMLCTBW-UHFFFAOYSA-N	317.776	3.180	10	20	DGCD	
COc1cc(CN2CCO[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1	164515586	GJXFCEFTUKWARW-STQMWFEESA-N	307.434	3.308	10	20	DGCD	
COc1cccc(CNC(=O)C(C)(C)Cc2ccccc2)c1O	155546495	JLVBBLCKEKFRCE-UHFFFAOYSA-N	313.397	3.286	10	20	DGCD	
CN(Cc1nc(-c2ccsc2)no1)Cc1ccccc1O	109771673	PPFZCBWTGQUNDF-UHFFFAOYSA-N	301.371	3.136	10	20	DGCD	
COC[C@H]1CCCN(Cc2c(O)ccc3ccc(OC)cc23)C1	112962185	AUANQZSQICSSDV-AWEZNQCLSA-N	315.413	3.412	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(NC(C)C)CC2)cc1	179837630	XDKYGNXPCWWDOV-UHFFFAOYSA-N	303.494	3.495	10	20	DGCD	
CC(C)COC[C@@H](O)CSc1ncc(-c2ccccc2)n1C	170697921	HMSAWQMDPANHAF-OAHLLOKOSA-N	320.458	3.213	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c(O)c1O	179538118	VPRMNRUIMLDQRX-UHFFFAOYSA-N	311.337	3.178	10	20	DGCD	
CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1	179936126	XHYOMWAHOKDSJL-CQSZACIVSA-N	324.852	3.174	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2ncc(C)s2)c1O	185011415	KNHCSWWHYWUXIS-VIFPVBQESA-N	308.378	3.350	10	20	DGCD	
C[C@@H](NCCc1ccnn1C)c1ccc(N2CCCCC2)cc1	184021071	PMCNLWNDKZWNOT-MRXNPFEDSA-N	312.461	3.304	10	20	DGCD	
CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(F)ccc2O)C1	180020561	MXECQFYRMNKPBQ-KGLIPLIRSA-N	322.424	3.048	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cn(C)nc1-c1ccccc1	89321543	DFKVMOYCLHZKBF-UHFFFAOYSA-N	321.380	3.065	10	20	DGCD	
Cc1ccc2c(c1)OCCN2C(=O)/C=C\c1ccc(Cl)nc1	254982176	PDTWHWNLASTFQA-DAXSKMNVSA-N	314.772	3.482	10	20	DGCD	
C[C@H](Cc1ccc(O)cc1)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273552663	GFPUKLYTUZCTDY-VXGBXAGGSA-N	316.357	3.288	10	20	DGCD	
C[C@H](CCN(C)C)N[C@H](C)c1cc(Br)ccc1O	273466071	DSVSUGPATZEJIS-GHMZBOCLSA-N	315.255	3.146	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCCC23CCOCC3)c1O	282660312	LVMWIVFKCQBXTJ-MRXNPFEDSA-N	305.418	3.230	10	20	DGCD	
OCC1CCN(c2ccc(CN[C@H]3CCC34CCC4)cc2)CC1	800475441	CCKKZXWAPYAELK-IBGZPJMESA-N	314.473	3.318	10	20	DGCD	
Oc1ccccc1CN1CCC[C@@H]1Cn1cnc2ccccc21	809767274	IGEDZAPEOSWXKV-MRXNPFEDSA-N	307.397	3.407	10	20	DGCD	
O=[N+]([O-])c1cccc(Cl)c1NCCc1ccc(O)c(O)c1	814364244	XKDMMBRJSBYTFN-UHFFFAOYSA-N	308.721	3.314	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2cc(Cl)c(F)cc2O)C[C@H]1C	816515147	QTDQMNAASIYZEI-YPMHNXCESA-N	314.832	3.489	10	20	DGCD	
CCC[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	817903398	BPKQBVXBLZDVGC-LLVKDONJSA-N	303.431	3.235	10	20	DGCD	
COc1ccc([C@H](C)NCCc2ccc(N)cc2)c(C)c1OC	817957430	MEIYFWKQEJWEBE-AWEZNQCLSA-N	314.429	3.488	10	20	DGCD	
CC(C)Oc1ccccc1C(=O)NCc1ccc(N(C)C)cc1	729945983	QOUGIIWBUOESHJ-UHFFFAOYSA-N	312.413	3.470	10	20	DGCD	
COC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1	813586329	WSMVBPBPLCHPFO-UHFFFAOYSA-N	311.385	3.081	10	20	DGCD	
COc1ccc(O)c(CNCc2ccc(Cl)c(OC)c2)c1	825144180	MJYSYPRAQNHFGM-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
C[C@H](O)CN(Cc1ccc(N2CCCCC2)cc1)CC(F)F	825098169	BTYODEFIAHFGFK-AWEZNQCLSA-N	312.404	3.125	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C(F)(F)F	824391086	BMXMSOUZMCHAQC-JTQLQIEISA-N	304.312	3.265	10	20	DGCD	
CC[C@@H](NCc1cc(N(C)C)ccn1)c1ccc(N(C)C)cc1	903202052	VEADLYPKMCICQT-LJQANCHMSA-N	312.461	3.455	10	20	DGCD	
CCc1nnc(CN(Cc2ccccc2O)C2CCCC2)o1	731845579	DXFAMWOTVMQTKI-UHFFFAOYSA-N	301.390	3.282	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](OC)C(F)(F)F)cc1	733329577	VTKKUSMDDDKEEO-AWEZNQCLSA-N	304.356	3.200	10	20	DGCD	
CCOC(=O)N[C@H](CN[C@H]1CCc2cccc(O)c21)CC(C)C	834501997	LRVDSDWYFJKDIA-GJZGRUSLSA-N	320.433	3.130	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCCC2(F)F)c1	834885417	KNQJSNDTLOTUDY-PWSUYJOCSA-N	313.344	3.265	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cc1	841297828	IODMWMMHFWRAAD-UHFFFAOYSA-N	323.396	3.322	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC1CCN(C(C)C)CC1	840891148	GRAYEKYDRQMHJW-KRWDZBQOSA-N	317.521	3.454	10	20	DGCD	
CSc1ccc(O[C@@H](C)C(=O)NCc2ccccc2O)cc1	740925267	LQVIKNXFTFKMHV-LBPRGKRZSA-N	317.410	3.198	10	20	DGCD	
C[C@@H](c1ccccc1F)N(C)C(=O)NCCc1ccc(N)cc1	841963097	WICACJZMHFJVHR-ZDUSSCGKSA-N	315.392	3.353	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@@H](NCc2cc(Cl)ccc2O)[C@H]1C	846055195	JWEXOJPMPAUULT-COPLHBTASA-N	311.809	3.113	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)C[C@@H](C)N)c1C	843504999	SUYZHJBCJOXFKO-KGLIPLIRSA-N	313.445	3.258	10	20	DGCD	
CCN(C)Cc1cccc(CNC(=O)Nc2ccc(N)cc2)c1	841301528	SIMBMFWIVVMRGO-UHFFFAOYSA-N	312.417	3.042	10	20	DGCD	
Cc1cccc2nc(CCNCc3ccc(N(C)C)cc3)cn12	842782312	IRBYAMSPJXBDBQ-UHFFFAOYSA-N	308.429	3.041	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=CCCCO1	742246503	ZKQVIJNRFLCAEC-UHFFFAOYSA-N	302.418	3.184	10	20	DGCD	
Cc1cccc(CN[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O	843417458	UOQXQBIXDRBHCD-KGLIPLIRSA-N	322.449	3.482	10	20	DGCD	
C[C@@H](NCCc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1O	756361439	ZGVFBOHBDHCRJZ-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
CC(C)CC1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	853775959	IRAHORBUWFHJLW-UHFFFAOYSA-N	313.445	3.441	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCc2ccccc2C)c1	756356454	DFMAVKCYKDYMQA-AWEZNQCLSA-N	313.397	3.381	10	20	DGCD	
C[C@H](NC[C@H](CO)Cc1ccco1)c1cc(Cl)ccc1O	756661338	RANFJMOBFADVSO-NWDGAFQWSA-N	309.793	3.140	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCCS1	753193181	WWRNKEGDGKJOAC-MRXNPFEDSA-N	321.490	3.146	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC2(C)C)cc1F	750295338	AJTVONSGNWTQLA-OAHLLOKOSA-N	307.413	3.270	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)CC2	850580067	GJLUTNQETMGJNZ-ZFWWWQNUSA-N	323.314	3.120	10	20	DGCD	
CCN(CC)c1ccc(CNc2nccc3nccnc23)cc1	856724227	YFMDVUBAMCGFNJ-UHFFFAOYSA-N	307.401	3.483	10	20	DGCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)CN(C2CCCC2)C1=O	761581143	WLNOCIOBNXEPFF-ZDUSSCGKSA-N	315.417	3.020	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCCC1(F)F	935945925	PXMPQPLWOUAUSG-LLVKDONJSA-N	318.360	3.320	10	20	DGCD	
CC[C@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(C)c(C)cc1O	769499192	YJOVVNAERUKSDY-ZWKOTPCHSA-N	318.461	3.230	10	20	DGCD	
CC(C)N(C(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C	774483982	NXTQKCXDIZJEQT-JKSUJKDBSA-N	319.493	3.437	10	20	DGCD	
CCCN(Cc1ccc(C(=O)OC)cc1)c1ccc(CN)cc1	775140638	NXKSLFXRCCYHAW-UHFFFAOYSA-N	312.413	3.349	10	20	DGCD	
CO[C@H]1c2ccccc2C[C@H]1NCc1cc(F)cc(F)c1O	883145466	BREHFVCUMLUFSJ-WBVHZDCISA-N	305.324	3.072	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCc2ccccc21)c1c(O)cccc1F	886555236	NYEDAIMXKTXIBH-KZULUSFZSA-N	301.361	3.016	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](c2cccs2)C2CC2)c(O)c1O	780863568	RUZGRMUQEXCGNL-ZDUSSCGKSA-N	303.383	3.349	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3ccccc3F)C2)cc1	76361111	ZFUMIIAZQDZVTD-HNNXBMFYSA-N	314.404	3.450	10	20	DGCD	
C[C@]1(NCc2cc(Cl)cc(Br)c2O)CCOC1	708057514	VQRNKCOGTQSXOX-LBPRGKRZSA-N	320.614	3.077	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)[C@@H](O)c2ccc(C)cc2)c1O	796492904	YYXRHVVNSNVMRA-KBXCAEBGSA-N	315.413	3.311	10	20	DGCD	
CO[C@H](CNCc1cc(Br)cc(F)c1O)C(C)C	715799192	ZLEPBVYZOYIMMD-GFCCVEGCSA-N	320.202	3.054	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCCC1	1321760406	ZYMKOUROGLKQOG-UHFFFAOYSA-N	319.468	3.342	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cnn(C(C)C)c2)c(O)c1OC	1355253547	SCWFOZWNQZLRJW-GFCCVEGCSA-N	319.405	3.038	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCc2ccccc2[C@H]1C(=O)O	1600237226	VEWVEVLPUBKUFV-IBGZPJMESA-N	324.424	3.245	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1ccoc1C(=O)O	1609970203	DTRFCFZTERMSCH-UHFFFAOYSA-N	303.358	3.486	10	20	DGCD	
Cc1ccc(/C=C/C(=O)N2CCCc3cc(C(=O)O)ccc32)cn1	1594354078	MFQUTEAKBCDFOJ-RMKNXTFCSA-N	322.364	3.081	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)C2CCCC2)c(C)c1	1776856135	VHEYCZBDHGIVJN-KRWDZBQOSA-N	304.434	3.184	10	20	DGCD	
Nc1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cc1	160355416	GJXNAGKDZBDJCQ-UHFFFAOYSA-N	310.401	3.297	10	20	DGCD	
Cc1nc(Cl)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1	152605831	DLFYCJXPGJSLBX-UHFFFAOYSA-N	317.820	3.382	10	20	DGCD	
CN(Cc1ccccc1)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	207724899	STABBELCRUIZJV-NTMALXAHSA-N	312.325	3.329	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1	175012820	GMOQLPMIKZEAHY-FPOVZHCZSA-N	320.436	3.273	10	20	DGCD	
C[C@@H](N[C@H](C)c1cc(F)ccc1O)c1ccc(NC(N)=O)cc1	176985429	MPBLSABUNJLDLM-GHMZBOCLSA-N	317.364	3.434	10	20	DGCD	
Cc1c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cnn1C	176300594	XIFLSFWZYQRWRC-UHFFFAOYSA-N	308.385	3.388	10	20	DGCD	
COc1cc(O)c(CN2CCc3cc(F)ccc3C2)cc1OC	119034053	OZSQNEFFOMLGOU-UHFFFAOYSA-N	317.360	3.107	10	20	DGCD	
C/C(=C\C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1	172229708	DULCRNRYVJGRAP-WKOYGUFESA-N	315.413	3.256	10	20	DGCD	
C/C(=C/C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1	68513534	JBLAZTJAUYJEPY-SEWDUPMJSA-N	314.429	3.057	10	20	DGCD	
Cc1cccc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1O	183381155	RQPHAEZRQQGDLV-OAHLLOKOSA-N	322.412	3.474	10	20	DGCD	
C[C@@H](NCC1CCOCC1)c1cc(Br)ccc1O	185260920	JVKLZENQUNCNED-SNVBAGLBSA-N	314.223	3.232	10	20	DGCD	
CSC[C@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21	187953381	OCHJLVOZAQBLNZ-LLVKDONJSA-N	321.364	3.062	10	20	DGCD	
CCN(CC)c1ccc(CNC2C[C@@H]3CC[C@H](C2)N3C)cc1F	192848123	YPPKSZXMOBCMMM-ALOPSCKCSA-N	319.468	3.387	10	20	DGCD	
C[C@H](NC[C@@H](O)c1ccccc1F)c1ccc(F)c(F)c1O	191212816	FNOLIBIMLKDDMQ-LKFCYVNXSA-N	311.303	3.194	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2cccnc2)c1O	93226825	NTNJAHXWOSIJNF-NSHDSACASA-N	302.349	3.322	10	20	DGCD	
CCn1nccc1CN(Cc1ccc(N(C)C)cc1)C(C)C	271050801	AFSZWXNBNUODSP-UHFFFAOYSA-N	300.450	3.380	10	20	DGCD	
C[C@@H](NCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1O	273418019	RHYNBPSKUUMEAM-GFCCVEGCSA-N	302.330	3.030	10	20	DGCD	
CCc1nc([C@@H](C)N[C@H](CC)c2ccc(N(C)C)cc2)n[nH]1	271443596	FKTXFCXTMJXBLY-IUODEOHRSA-N	301.438	3.235	10	20	DGCD	
CCOc1cccc(CN2CCC(c3c[nH]nc3C)CC2)c1O	375268477	UGVHNEZANUDMCC-UHFFFAOYSA-N	315.417	3.202	10	20	DGCD	
C[C@@H](NC[C@H](O)CCc1ccccc1)c1ccc(F)cc1O	273475447	SSCMWJKGXZCUKI-CZUORRHYSA-N	303.377	3.176	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCCOC2CCOCC2)c(O)c1	284946516	DZBACFUZWBLCJN-OAHLLOKOSA-N	307.434	3.245	10	20	DGCD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1	282529363	LQVUPFSGAYFWQC-HBUWYVDXSA-N	316.445	3.057	10	20	DGCD	
CC(=O)c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1F	804273259	SZFPDCROPXDTQA-XVNBXDOJSA-N	315.300	3.091	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2COc3ccccc3[C@@H]2O)c(O)c1C	290490633	XTTPYHWLMVXZOC-CRFBAAHOSA-N	313.397	3.154	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](O)C1CCCCC1	801548518	WATLXMKPWXFGQT-SFHVURJKSA-N	319.445	3.462	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCCC2)cc1)c1csnn1	398377677	LXSXAOYAEGSIAD-ZDUSSCGKSA-N	302.447	3.379	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H](C)C2(OC)CCOCC2)cc1	817589053	SYIZCEIYQXDILU-HOTGVXAUSA-N	320.477	3.377	10	20	DGCD	
CN(C)[C@H]1CCC[C@@H](NCc2cc(Cl)c(F)cc2O)C1	816554811	JRVSQAMWKUHYON-NEPJUHHUSA-N	300.805	3.147	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@@H](c2cccnc2)C2CCC2)cc1	817943262	SXJZCELRPOIATI-VQTJNVASSA-N	324.472	3.278	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1F	817940450	GIRSGXAIQINSEX-YVEFUNNKSA-N	319.399	3.381	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(OC)cc1C	819756025	PZUVARQAMOPEME-UHFFFAOYSA-N	320.385	3.125	10	20	DGCD	
CCCC[C@@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	810124948	LHCXKPSVHIBLBY-MRXNPFEDSA-N	319.493	3.222	10	20	DGCD	
Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(O)cs1)CCC2	827293462	ZDHDBCFIUCGWIU-LLVKDONJSA-N	308.428	3.368	10	20	DGCD	
COc1ccc(NC(=S)NNc2ccc(F)cc2)cc1F	726433928	BPPHJORENMGNQV-UHFFFAOYSA-N	309.341	3.287	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)Cc1ccsc1C	822511852	NTKJKYYAWQXTRR-UHFFFAOYSA-N	319.426	3.327	10	20	DGCD	
Cc1ncc(CN(Cc2ccco2)Cc2ccccc2O)n1C	824474863	UZPMFDUVDDALFT-UHFFFAOYSA-N	311.385	3.230	10	20	DGCD	
C[C@H](N[C@H](c1ccncc1)C1CC1)c1cc([N+](=O)[O-])ccc1O	903427741	JKFMKIZQALKWKY-GTNSWQLSSA-N	313.357	3.497	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2cc(C)on2)cc1	733915462	NTWKSEQHDOEENN-UHFFFAOYSA-N	315.417	3.030	10	20	DGCD	
COCCC[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839920209	NHXXSYXIVXFFGG-GOEBONIOSA-N	320.477	3.171	10	20	DGCD	
CC(C)(C)CCNCc1cc(F)c(N2CCOCC2)c(F)c1	839146190	YWDXKZKZYKPSHU-UHFFFAOYSA-N	312.404	3.327	10	20	DGCD	
CO[C@@H]1COCC[C@H]1CN[C@H](C)c1ccc2ccccc2c1O	834880490	GFMYCZGXYFPQSW-QIIPPGSGSA-N	315.413	3.248	10	20	DGCD	
CN(C)c1ccc(CNCCCCC2(C(=O)O)CCC2)cc1	900077995	BTXKJZZJJFZCMC-UHFFFAOYSA-N	304.434	3.267	10	20	DGCD	
CCOc1cccc(CN[C@H](CO)CC2CCCCC2)c1O	841893864	PWRBPSKJMHMIBQ-INIZCTEOSA-N	307.434	3.212	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2	916648593	XCCFLMCYAZPHNL-KKUMJFAQSA-N	302.418	3.360	10	20	DGCD	
CC[C@H](N[C@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O	841765674	UXQSCQWHNJHJNM-AAEUAGOBSA-N	318.795	3.426	10	20	DGCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1ccc(-n2cccn2)cc1	743814850	IGACHPIHSMUOAL-LLVKDONJSA-N	313.382	3.130	10	20	DGCD	
COC(=O)[C@H](NCc1ccc(OC)c(C)c1)c1ccccc1F	743475764	YAAZCMHJBRCMHY-QGZVFWFLSA-N	317.360	3.147	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2ccc(Cl)o2)cc1	844851955	BSBRQSOKZXCZLP-UHFFFAOYSA-N	322.792	3.150	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2[nH]ccc12	747397039	FHISNGWHECVCOP-UHFFFAOYSA-N	307.397	3.472	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCc1ccnn1C	747259798	YJDPVIUMNMMRQM-UHFFFAOYSA-N	315.398	3.246	10	20	DGCD	
CCCNC(=O)C1(NCc2cccc(CC)c2O)CCCCC1	848903165	NZLZGBMRQHTGGH-UHFFFAOYSA-N	318.461	3.273	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc3c(c2)ncn3C)cc1F	922481560	NDZZIULNIRGDMF-UHFFFAOYSA-N	312.392	3.068	10	20	DGCD	
CNC(=O)CC1(CNCc2cc(C)c(C)cc2O)CCCCC1	850400831	OVQLFVMXZLXTLK-UHFFFAOYSA-N	318.461	3.185	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)OCCc2ccccc2)c1	859007307	ZLCTYJMJMLHOJE-CYBMUJFWSA-N	315.369	3.431	10	20	DGCD	
Oc1cccc(Cl)c1CNCC1CCN(CC(F)F)CC1	857784537	LJOLWUKNUPCGIK-UHFFFAOYSA-N	318.795	3.112	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1ccsc1	753639781	CQNWHCLAKAHEFV-QWRGUYRKSA-N	305.399	3.010	10	20	DGCD	
CC(C)[C@@H](CC(=O)O)NCc1ccc(N2CCCCC2)cc1	756363065	QAGYFLJOWZOEQZ-QGZVFWFLSA-N	304.434	3.266	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)NCc2ccc3c(c2)CCCO3)n[nH]1	922053346	GJXNAAJGBVLXCE-STQMWFEESA-N	314.433	3.494	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2SCCc3sccc32)c1	862759372	CPJKPNOBVCVVFA-HNNXBMFYSA-N	319.451	3.409	10	20	DGCD	
Oc1cc2c(cc1CN(Cc1cccs1)C1CC1)[C@@H](O)CO2	768441228	IMLUWCGVJIRMLC-INIZCTEOSA-N	317.410	3.044	10	20	DGCD	
C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)N[C@H](C)c1ccccc1O	879650080	ZXCQMSJMXKTYFX-LXTVHRRPSA-N	304.434	3.221	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccnn2CC)cc1	772850974	RQRPSAPAGNRZCW-UHFFFAOYSA-N	314.433	3.021	10	20	DGCD	
CC(C)CC(=O)N1CCCN(Cc2cccc(Cl)c2O)CC1	877774877	PITAUBGJHVPTNR-UHFFFAOYSA-N	324.852	3.126	10	20	DGCD	
Cc1ccsc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	776748745	FFKCWVUMTFQCDY-UHFFFAOYSA-N	303.792	3.216	10	20	DGCD	
CC(C)CN(C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)C1CC1	775834515	UMWFIEIZNLLJSF-HNNXBMFYSA-N	317.477	3.050	10	20	DGCD	
CN1CCN(c2ccc(CNc3ccc(F)cc3F)cc2)CC1	782533113	UZTRVAMEZFZTQO-UHFFFAOYSA-N	317.383	3.329	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](C)c2cnccc2C)c1O	783003112	XQJWXTPDBAGSBO-LLVKDONJSA-N	302.349	3.288	10	20	DGCD	
c1ccc([C@@H](Cn2ccnc2)NCc2ccc3c(c2)CCO3)cc1	883398258	HZNWTFICDXOJCU-LJQANCHMSA-N	319.408	3.349	10	20	DGCD	
CC[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H](C)O	789949206	FWZUGWDFGNEFGY-QAPCUYQASA-N	318.461	3.042	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)c(O)c1O	780947015	HUVRTTZIAQQDEE-NSHDSACASA-N	315.344	3.305	10	20	DGCD	
CC[C@H](C)CCC(=O)NCCNCc1ccc(OC)c(C)c1	1135612480	YQHMUCNERYOMQX-AWEZNQCLSA-N	306.450	3.036	10	20	DGCD	
CCN(CC)CC1CCN(Cc2cc(F)cc(F)c2O)CC1	893939711	GDZZNNOXKKLTQI-UHFFFAOYSA-N	312.404	3.224	10	20	DGCD	
Cc1ccc([C@H](O)[C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1	796480079	CAUCIFYFDBPWRW-AUUYWEPGSA-N	316.420	3.412	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C3CC(C)(C)C3)CC2)cc1	795995867	YNGFBZGSMQRONG-UHFFFAOYSA-N	316.445	3.216	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)/C=C(\C)CC)CC2)cc1	1327983120	OEHGTKRPTAVOPH-CCEZHUSRSA-N	302.418	3.090	10	20	DGCD	
Cc1ccc(O)c(CNS(=O)(=O)c2ccc(C(C)C)cc2)c1	1329806214	LRMRYJPHTFOOTN-UHFFFAOYSA-N	319.426	3.303	10	20	DGCD	
CC(C)(C)OC(=O)CCCNCc1ccc(N2CCCC2)cc1	1327091272	ZTFLLZMVLQFMAX-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2ccc(N(C)C)cc2)c1	1337784999	IEPJIOACYGJJJR-CQSZACIVSA-N	314.429	3.360	10	20	DGCD	
CCS[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1336847787	HWAQAYZFRDCRIH-CABCVRRESA-N	307.463	3.132	10	20	DGCD	
CN1CCC2(CCCN2Cc2ccc(N3CCCC3)cc2)CC1	1338881287	KNQRCEOBPDDDPC-UHFFFAOYSA-N	313.489	3.347	10	20	DGCD	
COc1cccc(COc2ccc(N(C)C)c(C(=O)O)c2)c1C	1607325451	VAOXASKQQFUTBT-UHFFFAOYSA-N	315.369	3.347	10	20	DGCD	
CN(C(=O)c1n[nH]c2ccc(Cl)cc12)c1ccc(N)cc1	1578392695	IVRPQKVCNQZZHY-UHFFFAOYSA-N	300.749	3.075	10	20	DGCD	
NCc1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1	1580342969	RFFHOHSZOYLJIP-UHFFFAOYSA-N	314.366	3.024	10	20	DGCD	
Cc1cc(C(=O)NC(C)(C)CN)c(C)n1-c1ccc(Cl)cc1	151851383	FFRKHUOFWRFXOD-UHFFFAOYSA-N	319.836	3.215	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccnc1	153021567	GNLGBCHIBSDMMF-HNNXBMFYSA-N	322.412	3.018	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCCCCC1)c1ccccc1O	155504103	FCHFCVQNFZRVNF-MRXNPFEDSA-N	304.434	3.226	10	20	DGCD	
COc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccc1F	155091958	VESCQOVAGVQLEJ-UHFFFAOYSA-N	316.376	3.139	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(O)c(Cl)c2)cc1F	57557962	XCYLGCDPASSSGN-UHFFFAOYSA-N	322.767	3.181	10	20	DGCD	
O=[N+]([O-])c1cccnc1N1CC=C(c2c[nH]c3ncccc23)CC1	22357204	MCVCEKJIYHFJBQ-UHFFFAOYSA-N	321.340	3.160	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(F)cc(Cl)c1O	177077305	RGBALTKFKLNDGT-UHFFFAOYSA-N	309.724	3.163	10	20	DGCD	
C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1O	170789690	GXHBPSDXWDHUSX-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCOCC1	68535405	AORCWQRQLOHKPV-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
CCCC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	121820159	ZDHLVRUSLVNSCJ-UHFFFAOYSA-N	313.445	3.442	10	20	DGCD	
CC[C@H](C)[C@@H](O)CN[C@@H](C)c1ccc(Br)cc1O	185439371	DCDALLMHCFBNSC-BHDSKKPTSA-N	316.239	3.212	10	20	DGCD	
CC[S@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2ccc(F)cc2O)C1	185657441	JRDJJEMLORZWLR-CQLHDSJLSA-N	313.438	3.262	10	20	DGCD	
C[C@@H](c1ccco1)N(C)C(=O)NCc1ccc(N(C)C)cc1	124127655	ZYPGTGUOCQVSGA-ZDUSSCGKSA-N	301.390	3.248	10	20	DGCD	
CCN(CC)Cc1ccc(NC(=O)c2cccc(O)c2O)cc1	188351577	WBFMUXMQPPTXKT-UHFFFAOYSA-N	314.385	3.192	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](CCO)c2ccccc2)c1	185525399	XFOMPDLSWNJUES-GOEBONIOSA-N	315.413	3.218	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@@H](C)c2ccc(C)cc2O)c1	185419574	PIFMQCNOBZFKFB-UGSOOPFHSA-N	301.386	3.093	10	20	DGCD	
O=C1N[C@H](c2cc(Br)ccc2O)Nc2ccccc21	41863645	MIQLMOQOXGVYAG-CYBMUJFWSA-N	319.158	3.009	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2ccc(F)c(F)c2)cc1F	87209978	DSQMQHZTVQZNGW-UHFFFAOYSA-N	322.330	3.029	10	20	DGCD	
CCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2)c(C)c1	320991619	MOWYUWRKSVIHLT-UHFFFAOYSA-N	311.429	3.423	10	20	DGCD	
CO[C@H]1C[C@H](NCc2cccc(Br)c2O)C1(C)C	227830052	CDVGKJBIKDFXNC-RYUDHWBXSA-N	314.223	3.058	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)ccc1F	190394208	AQWGJVPQKDDBJP-VIFPVBQESA-N	322.311	3.129	10	20	DGCD	
CCN(CC)c1ccc(CNC2C[C@@H]3CC[C@@H](C2)N3C)cc1	192696817	XJNWSTVQXMXQTI-OALUTQOASA-N	301.478	3.248	10	20	DGCD	
Cc1ccc(O)c(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1	90201519	ZWABLLCCFOSIMK-HNNXBMFYSA-N	320.433	3.190	10	20	DGCD	
C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1	268864337	SZEMEHCQXDLYGB-SWLSCSKDSA-N	316.367	3.251	10	20	DGCD	
C[C@H](NCCSC(F)(F)F)c1cc([N+](=O)[O-])ccc1O	273432175	VWVQMIRKWNVCKA-ZETCQYMHSA-N	310.297	3.204	10	20	DGCD	
CCc1ccc([C@H](O)CN[C@H](C)c2cc(OC)ccc2O)cc1	276456800	VLTMEAZPTKRHOY-BFUOFWGJSA-N	315.413	3.347	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc(F)cc2O)cc1[N+](=O)[O-]	273621333	ZBZZFGVZSKJVCA-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H]2CCCc3sccc32)c(O)c1	373697339	QOYBUDONZCQJIK-CQSZACIVSA-N	317.410	3.199	10	20	DGCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F	288718657	YLSRLDRWZLCERI-VIFPVBQESA-N	316.323	3.021	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccnc(F)c1	282614426	ZHFLEPWZFZYAGY-UHFFFAOYSA-N	302.349	3.369	10	20	DGCD	
COc1ncccc1CCN[C@H](C)c1ccc(C)c(C)c1O	290201863	PFHDQWWTKAXKJH-CQSZACIVSA-N	300.402	3.306	10	20	DGCD	
COc1ccc(O)c(CNc2cc(OC)c(C)c(OC)c2)c1	293901378	LBRPPTRKWPBIMX-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
C[C@@H](NCc1nc(C2CC2)n[nH]1)c1ccc2ccccc2c1O	296312884	GKZFDUGOJDSFBP-LLVKDONJSA-N	308.385	3.392	10	20	DGCD	
CN(C)c1ccc(CN[C@H](c2nnc[nH]2)C2CCCCC2)cc1	292900984	DNLWDALQIKFURF-KRWDZBQOSA-N	313.449	3.282	10	20	DGCD	
CCCN(CCN1CCCCC1)Cc1cccc(OC)c1O	809705433	UUFBGFOWOJCPTA-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
COc1cccc(CNCc2cnc(C(C)(C)C)s2)c1O	809740334	ULONCJGJDLWNGK-UHFFFAOYSA-N	306.431	3.445	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C	815057646	WHZDQAACGPYWBQ-AEFFLSMTSA-N	303.494	3.366	10	20	DGCD	
COc1cccc(C2(CNCc3ccc4c(c3)CCO4)CC2)c1	810157493	RQCSSEOITFFUKC-UHFFFAOYSA-N	309.409	3.452	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H](CCO)CC2)c1O	817418645	AQGAEDGLVCKFIY-GFCCVEGCSA-N	313.825	3.039	10	20	DGCD	
Cc1cc(CN2CCC[C@H](N3CCCC3)C2)ccc1N(C)C	815018066	FCIGICFJAJDPJS-SFHVURJKSA-N	301.478	3.121	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@@H]1CCC[C@@H](C)C1	734406714	ZJPWDYHCOJSDBO-RDTXWAMCSA-N	318.461	3.273	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[C@H]2C(C)C)c1	836621073	JVDIJIITUDWANU-OBJOEFQTSA-N	306.406	3.053	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@]1(C)CCOC1	733181376	SYIRRHGUJUSJNV-KRWDZBQOSA-N	318.442	3.312	10	20	DGCD	
COc1ccc2c(c1)CCC[C@H]2CNC(=O)Cc1ccc(N)cc1	831982206	JMNFAWVQOOEKKI-INIZCTEOSA-N	324.424	3.056	10	20	DGCD	
OC[C@]1(CN[C@H]2CCc3cccc(O)c32)C[C@@H]1c1ccccc1	834803016	IGUZGZSFSIUMHX-FUHIMQAGSA-N	309.409	3.135	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	916587454	IAQIONZDMKNOTK-IYBDPMFKSA-N	315.461	3.474	10	20	DGCD	
C[C@H](N[C@H](C)c1ccn(C)n1)c1cc(Br)ccc1O	840815961	JFSWHTCPUSPGCN-VHSXEESVSA-N	324.222	3.300	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1	842885323	NCNBUVBGKICEJV-DLBZAZTESA-N	317.477	3.193	10	20	DGCD	
COc1cc(OC)c(CNCc2ccc3c(c2)CCO3)cc1F	845929273	KWUCBJFQSCVORH-UHFFFAOYSA-N	317.360	3.068	10	20	DGCD	
Cc1ccc(CC(=O)NCc2ccc3c(c2)CCCN3C)cc1	746811871	PQEHOQHBDIOHKD-UHFFFAOYSA-N	308.425	3.236	10	20	DGCD	
O=[N+]([O-])c1cc(CN[C@@H]2CCSC2)ccc1N1CCCCC1	742383016	RMCHUAJPGXMEAH-CQSZACIVSA-N	321.446	3.180	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cn1	742476208	NUPXXLFPKIPCGM-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc([C@@H](C)O)cc2)c1O	846144356	LWSGMHZQSHVURP-CHWSQXEVSA-N	301.386	3.305	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C	843852660	ZHLGZQNNWUUNSF-FPMFFAJLSA-N	305.418	3.217	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CNc3ccccc3C2)c(Cl)c1	844906624	VNFSEPNLSIGDPG-CYBMUJFWSA-N	302.805	3.480	10	20	DGCD	
CCCc1nc(C)c(C(=O)NCc2cc(Cl)ccc2O)o1	846475270	BJBPMSAQROSQBY-UHFFFAOYSA-N	308.765	3.225	10	20	DGCD	
C[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1O	841751997	PWDWZITWMNUHAK-IAQYHMDHSA-N	323.795	3.439	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCCN(CC3CC3)C2)cc1C	853093986	VTIVCRUMGUTVQJ-SFHVURJKSA-N	302.462	3.215	10	20	DGCD	
COc1cc(CN[C@@H]2CCC[C@@H]2CCO)c(O)c(C(C)(C)C)c1	850252819	HLVUILHFRNVWKC-CXAGYDPISA-N	321.461	3.339	10	20	DGCD	
C[C@H](NCCc1ccoc1)c1ccc(N2CCOCC2)c(F)c1	850532086	PTXHCYZDKYOTHV-AWEZNQCLSA-N	318.392	3.149	10	20	DGCD	
C[C@H](NCC(C)(C)O)c1cc(Br)cc(Cl)c1O	756562079	FQVZVUGCPXIGSD-ZETCQYMHSA-N	322.630	3.230	10	20	DGCD	
C[C@H](NCCc1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1O	756422158	LIGFBDAPJNDLHP-JTQLQIEISA-N	322.311	3.472	10	20	DGCD	
Cc1cccc(-n2cc(C(=O)CSc3nccs3)nn2)c1	753059205	FZDZFBYLBJYBDD-UHFFFAOYSA-N	316.411	3.007	10	20	DGCD	
O=C(COC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)c1ccc(O)c(O)c1	850303919	BKHVFYZDHZDTSH-LAQFHYBYSA-N	318.369	3.040	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H](OC(C)C)C2(C)C)c1	858363381	IRDOIHCNGXJQQV-HZPDHXFCSA-N	320.433	3.092	10	20	DGCD	
CC(C)(C)c1nnc(CNCc2cc(Cl)ccc2O)s1	758488255	MQXBZQXDIADQML-UHFFFAOYSA-N	311.838	3.484	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H]1c1ccc(F)cc1)OCO2	853544559	WBYBYOORXYWWGY-AWEZNQCLSA-N	301.317	3.207	10	20	DGCD	
Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc(O)c(O)c1	934945377	ZVVDHOVTMHHFCC-UHFFFAOYSA-N	303.358	3.227	10	20	DGCD	
C/C=C(\C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761980990	LTFLWNMWOCKMSX-NEDLJVEISA-N	322.836	3.092	10	20	DGCD	
CCCCC[C@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O	761573615	DBKLYLMLQGGSKI-CZUORRHYSA-N	317.433	3.314	10	20	DGCD	
Cc1cccc(O)c1CN1CCC([C@@](C)(O)C(F)(F)F)CC1	877389358	BSOLFAKLZSQFKO-OAHLLOKOSA-N	317.351	3.226	10	20	DGCD	
CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(F)c1O	778525204	JZTNCVBPUYWDDR-INIZCTEOSA-N	320.408	3.465	10	20	DGCD	
Cc1cccc(O)c1CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2	877525451	DBFCYMKVZZJZHR-ZDUSSCGKSA-N	310.397	3.436	10	20	DGCD	
COc1ccc(N2CCN(CC3CCSCC3)CC2)cc1F	876806110	KSFQZVQJSMYKHF-UHFFFAOYSA-N	324.465	3.100	10	20	DGCD	
C[C@@H](NC(=O)CCc1ccc(O)cc1)c1ccc(N(C)C)cc1	775403931	KLVXPCPVUZCQEY-CQSZACIVSA-N	312.413	3.268	10	20	DGCD	
CC[C@H]1[C@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1C	776149619	ISGICXBRGBHHDO-DYVFJYSZSA-N	303.450	3.391	10	20	DGCD	
CC(=O)N(C)c1ccc(CN[C@H](C)c2c(O)cccc2F)cc1	886641529	LTHFTVBAOIFQBF-GFCCVEGCSA-N	316.376	3.365	10	20	DGCD	
CNC(=O)CCOc1ccc(N[C@@H](C)c2ccccc2O)cc1	783532798	VGODDNOVUVYKHV-ZDUSSCGKSA-N	314.385	3.080	10	20	DGCD	
CCOCCC1(CNCc2cc(C)cc(OC)c2O)CCC1	894352358	SPQRJVYMKRONDX-UHFFFAOYSA-N	307.434	3.396	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)c2ccccc2N(C)C1=O	785756209	LMSCCEMOKWKWFN-OAHLLOKOSA-N	323.440	3.372	10	20	DGCD	
CN(Cc1ccccc1O)Cc1ccnn1-c1ccc(F)cc1	792788730	RXTYNCCWRJWDMC-UHFFFAOYSA-N	311.360	3.349	10	20	DGCD	
CCOC(=O)C1(CNCc2ccc(OC)c(C)c2)CCCC1	792194873	AUCWMCXVOOFDEF-UHFFFAOYSA-N	305.418	3.217	10	20	DGCD	
C[C@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2O)CCN1C	90721729	XBZUWVIBGDOXFQ-JOYOIKCWSA-N	303.233	3.271	10	20	DGCD	
COc1ccc(CNC(C)(C)c2nc(C)cs2)c(O)c1OC	1262361158	CLGASKHTOCTGOK-UHFFFAOYSA-N	322.430	3.199	10	20	DGCD	
Cc1oc(C(=O)O)cc1CN[C@@H](C)c1ccc(N(C)C)cc1	1600830038	DVSLDRLWQFGOGT-NSHDSACASA-N	302.374	3.203	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(Cl)c(C(=O)O)n2)c(O)c1	1607751768	IIENILADEDXVDS-SNVBAGLBSA-N	320.776	3.298	10	20	DGCD	
O=C(O)c1cccc(NNC(=S)Nc2ccc(Cl)cc2)c1	1602446928	DSWKFSLCGIXTIO-UHFFFAOYSA-N	321.789	3.352	10	20	DGCD	
Cc1cc(CN2CC[C@H](C(=O)O)[C@@H]2C)c(O)c(C(C)(C)C)c1	1610461087	IUKCHHQWSVDSJU-JSGCOSHPSA-N	305.418	3.293	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@@H](CC(=O)O)[C@H]1C	1610466130	DTNDTDHEXVTJMP-JKIFEVAISA-N	304.434	3.040	10	20	DGCD	
CCc1cccc(CN[C@@H](C(=O)O)c2ccc(F)c(C)c2)c1O	1597586796	KKJNXGLHXFLYQK-MRXNPFEDSA-N	317.360	3.318	10	20	DGCD	
CCN1CCc2cc(CNCCCC(C)(C)C(=O)O)ccc21	1776877367	WDZSQKJAWGARIJ-UHFFFAOYSA-N	304.434	3.050	10	20	DGCD	
CCOCc1ccccc1CNC(=O)CSc1nccs1	55278472	AXJNVUDNCLWRAY-UHFFFAOYSA-N	322.455	3.088	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H]2CCC[C@@H]2C1	176485977	VSZMBFDAYQYZAW-IAGOWNOFSA-N	313.445	3.228	10	20	DGCD	
CCc1[nH]nc(NCc2ccc(Br)cc2O)c1C	1347391393	LUWNKINTJRZMSN-UHFFFAOYSA-N	310.195	3.361	10	20	DGCD	
C[C@@H](NCCCO[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2	185704975	JEKUMYOJWRXXTJ-RHSMWYFYSA-N	319.445	3.117	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(Cc2ccccn2)C2CC2)c1O	180855759	DKBANCYSALHHPY-UHFFFAOYSA-N	314.360	3.294	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)nc1	72905251	BOFQGIBFSFMXLV-UHFFFAOYSA-N	317.820	3.463	10	20	DGCD	
CCN(C(=O)[C@@H](C)N(C)Cc1ccccc1O)C1CCCCC1	121147777	BLHPTUCHZXESGC-OAHLLOKOSA-N	318.461	3.394	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC)c(Cl)c2)o1	121861525	BZPKURLJUHKKFT-UHFFFAOYSA-N	309.749	3.365	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1CCOc2ccc(F)cc21	186788800	JLYJLSPYDZPOEG-SNAWJCMRSA-N	304.346	3.029	10	20	DGCD	
Cc1cc(F)cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	190979774	XFKXFYPPVLQOSH-LLVKDONJSA-N	318.348	3.298	10	20	DGCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1ncc(-c2ccccc2)o1	193084863	OCPVXBXAZPSBSC-NSHDSACASA-N	324.336	3.244	10	20	DGCD	
CCOCc1cc(CNCC(F)(F)C(F)F)ccc1OC	191773194	ADPMNUVXNAELEZ-UHFFFAOYSA-N	309.303	3.222	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(Cc2ccncc2)C2CC2)c1O	93221347	LMMNVZXBSPNYEK-UHFFFAOYSA-N	314.360	3.294	10	20	DGCD	
C[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccc(Cl)s1	237471235	YIRDISOMQLUFKD-SNVBAGLBSA-N	308.834	3.446	10	20	DGCD	
CCOC(=O)C1(N(C)Cc2cccc(OC)c2O)CCCCC1	93695004	QPQQCBYOFDIJOK-UHFFFAOYSA-N	321.417	3.099	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1	268949426	VFIMCZSFNPLOGK-BHYGNILZSA-N	317.477	3.050	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCCSC2)c(C)n1-c1ccccn1	267196981	CKQKYLUJSOGOTP-CQSZACIVSA-N	315.442	3.115	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C	267790624	VDSYQJOMGFIXJC-GASCZTMLSA-N	301.434	3.084	10	20	DGCD	
CC(C)(CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	269207744	NOGRHJININEXSX-UHFFFAOYSA-N	313.397	3.124	10	20	DGCD	
CN1CCCc2cc(CN[C@H]3CCC34CCOCC4)ccc21	368514284	MLRFZUNDVMEPQJ-SFHVURJKSA-N	300.446	3.118	10	20	DGCD	
Cc1cc(C(=O)NCC2=CCN(C)CC2)c(C)n1-c1ccccc1	271862985	KKJZTBNTBJVUIA-UHFFFAOYSA-N	323.440	3.086	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCSC2)cc1	279934244	IYTUDRXCRSUMAS-HNNXBMFYSA-N	321.490	3.085	10	20	DGCD	
CC[C@H](NCCCn1nc(C)cc1C)c1ccc(F)cc1O	285494248	CFHFOUKCWAIAPP-INIZCTEOSA-N	305.397	3.476	10	20	DGCD	
Nc1ccc(NCc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1	286045934	HLHCBTJALJAGMX-UHFFFAOYSA-N	312.373	3.389	10	20	DGCD	
Oc1ccccc1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21	289243210	DTZSPRUOOBQYOT-QYZOEREBSA-N	309.409	3.397	10	20	DGCD	
CC[C@H](NC1CCN(C(C)=O)CC1)c1cccc(Cl)c1O	806128909	ZFCWSDMIBKEFOQ-HNNXBMFYSA-N	310.825	3.097	10	20	DGCD	
Cc1cc(O)c(CNc2nnc(C3CCOCC3)s2)cc1C	295936196	KPRPZFXEJZLXNZ-UHFFFAOYSA-N	319.430	3.367	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@@H](n2cc(Cl)cn2)C1	290906599	MQSLDRQAUJSCRK-GFCCVEGCSA-N	312.200	3.343	10	20	DGCD	
CCOC(=O)c1cc(NCc2cccc(Cl)c2O)cn1C	290368521	HHROXBVSXHBINT-UHFFFAOYSA-N	308.765	3.173	10	20	DGCD	
COC(=O)[C@@H](C)N(Cc1cc(Cl)c(F)cc1O)C1CCC1	816591235	YEUJZLYLDDEESE-SECBINFHSA-N	315.772	3.101	10	20	DGCD	
C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H](N)c1ccc(N(C)C)cc1	817940730	HMYZVRCSHRITFZ-VOBQZIQPSA-N	309.457	3.276	10	20	DGCD	
Cc1cc2c(NCc3c(O)ccc4c3CCCC4)nccn2n1	811808830	QCAYCLIINBOVHD-UHFFFAOYSA-N	308.385	3.234	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3cnc(C)s3)C2)cc1	818222590	YWWBUWBTCOISHT-CQSZACIVSA-N	317.458	3.076	10	20	DGCD	
CC(C)[C@H](N)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	817958107	HPZIUCQUSHYZHD-RHSMWYFYSA-N	307.457	3.450	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H](C)C[C@@H](C(=O)O)C2)cc1F	817881546	KQZGRSQFTRLTCL-UKRRQHHQSA-N	322.424	3.215	10	20	DGCD	
C[C@H](N[C@@H]1CCCC[C@@H]1CN)c1cc2c(cc1O)CCCC2	817960145	KYZSKWOMZHTCOU-FDQGKXFDSA-N	302.462	3.439	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H]2CCN2C(=O)OC(C)(C)C)c(O)c1	724912014	GWYOWXFCOZZJSA-ZIAGYGMSSA-N	320.433	3.361	10	20	DGCD	
CCOc1cccc(CN[C@@H](CC(C)C)CN2CCCC2)c1O	824559180	JNZROTPHNKLTNT-KRWDZBQOSA-N	320.477	3.391	10	20	DGCD	
Cc1ccc(/C=C\C(=O)N(C)c2cnc3ccccc3n2)cn1	493491143	IYGQHSUEKSESFU-KTKRTIGZSA-N	304.353	3.009	10	20	DGCD	
O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(O)cs1	731865352	CAHOHUDDFGNEKZ-OAHLLOKOSA-N	316.426	3.021	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3occc3s2)c1	736680868	YSCBMTKLVOXAKV-UHFFFAOYSA-N	303.339	3.139	10	20	DGCD	
CCSCc1ccnc(NC(=O)Cc2ccc(N)cc2)c1	831475479	LGEPTXFNWZYRTL-UHFFFAOYSA-N	301.415	3.098	10	20	DGCD	
COc1ccc(OCCNCc2c(O)cccc2Cl)cc1	733322335	HOCVHGRUYXXRLN-UHFFFAOYSA-N	307.777	3.223	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N(CC(C)C)C1CC1	917078088	ZNCKZIOCGWXAGL-UHFFFAOYSA-N	316.445	3.095	10	20	DGCD	
CCN(CC)c1ccc(CNc2cccnc2[N+](=O)[O-])cc1	917085149	BVUZVNOIIRNXLV-UHFFFAOYSA-N	300.362	3.448	10	20	DGCD	
COc1ccc(Cl)cc1NC(=O)NCc1ccccc1O	748437862	AUHGZPDYCBOKLF-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@@H]3CNC[C@H]3C2)cc1F	843341225	SOVPXAWLERQCBI-BRWVUGGUSA-N	319.468	3.150	10	20	DGCD	
COc1ccc(N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1	845997656	BCSNWFLTTFMAFH-UHFFFAOYSA-N	317.385	3.357	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cccc(-c2nncn2C)c1	840921806	BIPNFYBIYMDIJJ-UHFFFAOYSA-N	321.428	3.469	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCCC[C@@H]1[C@H]1CCCN1	843047987	GDXYAKHFROVLAG-RTBURBONSA-N	301.478	3.168	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2ccc(CN)cc2F)c(O)c1	844922947	FIZXOIUEXSVKIM-ZDUSSCGKSA-N	302.393	3.458	10	20	DGCD	
CC(C)[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1cnn(C)c1	927071780	UQERARPRBCVEBL-MEDUHNTESA-N	318.377	3.082	10	20	DGCD	
c1cc2c(cc1CNCCCO[C@@H]1CCCCO1)CCCO2	922233127	UQIUDDTXVUPLNK-GOSISDBHSA-N	305.418	3.035	10	20	DGCD	
COC[C@@H](NCc1ccc(OC)c(C)c1)c1cccc(OC)c1	850362396	MYYOIWRVDICGKB-GOSISDBHSA-N	315.413	3.490	10	20	DGCD	
C[C@H](NCc1cccc2c1OCCO2)c1cc(F)ccc1O	756702575	ARHLFMUGKLYKRB-NSHDSACASA-N	303.333	3.153	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCCCc3c(Cl)cccc32)cn1	754584063	OUMUFKLDEVHXHU-HJWRWDBZSA-N	315.804	3.456	10	20	DGCD	
CCOc1ccc(CN[C@]2(C)CCCC[C@H]2C(=O)OC)c(O)c1	757801862	YBUKBGBATNJDPH-MAUKXSAKSA-N	321.417	3.002	10	20	DGCD	
CC(C)[C@H](NC(=O)CN(C)c1ccc(N)cc1)c1ccccc1	863557772	ULDOSZCYFKAUTI-IBGZPJMESA-N	311.429	3.219	10	20	DGCD	
CCCCc1nnc(NC(=O)NCc2cc(C)ccc2O)s1	860275859	FTPOWLVUULPGCF-UHFFFAOYSA-N	320.418	3.216	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CC(=O)N1CCCC[C@H]1C	766270865	VNIAGPONSKWESX-OAHLLOKOSA-N	316.445	3.239	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(N(C)C)cc2)cc1OC	761221881	LTQGFILRSOWCQN-UHFFFAOYSA-N	300.402	3.406	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1	766583958	LTTCTHFPCFIHFI-ZRGWGRIASA-N	301.478	3.276	10	20	DGCD	
CC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	760203946	SZRZTBJQBATICE-IBGZPJMESA-N	314.429	3.293	10	20	DGCD	
CC[C@](NCc1cccc(C)c1O)(C(=O)OC)c1ccccc1	877676506	WZIAJMXGKTWIPR-LJQANCHMSA-N	313.397	3.269	10	20	DGCD	
CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1ccc(N)cc1)CCC2	1117955330	NCVLRRSNMFXOCX-OAHLLOKOSA-N	313.405	3.245	10	20	DGCD	
CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1O	775499352	BWKLQXIHKAWVCX-TZMCWYRMSA-N	320.824	3.001	10	20	DGCD	
Cc1ccc(CNc2ccc(CN3CCOC3=O)cc2)c(O)c1	876824790	DRJGUDWPTFDFKX-UHFFFAOYSA-N	312.369	3.265	10	20	DGCD	
CC(C)CN(Cc1ccc(N2CCN(C)CC2)cc1)C(C)C	775653871	DYXOSHDTWCLBDU-UHFFFAOYSA-N	303.494	3.305	10	20	DGCD	
Cc1cnccc1OC1CCN(Cc2c(C)cccc2O)CC1	877481685	POMDETJIUSQIMJ-UHFFFAOYSA-N	312.413	3.447	10	20	DGCD	
CCCN(C)C[C@H]1CCN(Cc2ccc(N(C)CC)cc2)C1	773753298	FPKRKPBNANIQNY-GOSISDBHSA-N	303.494	3.306	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)C2CCC(C)CC2)c1O	774821885	UUTZSHVGYDGKCK-UHFFFAOYSA-N	308.378	3.320	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@@H](C)c2c(O)cccc2F)cc1	886596249	ABBIVEPGLHWQPX-DZGCQCFKSA-N	303.377	3.094	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(N(C)C)CCC2)cc1F	782536754	WBQOKAYXDWXNIC-UHFFFAOYSA-N	307.457	3.246	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCC[C@@H]2C2CC2)c(O)c1OC	894890642	WQKPYCOSUMMPFY-DZGCQCFKSA-N	305.418	3.325	10	20	DGCD	
CCc1cccc(CNCC(=O)N(CC)c2ccccc2)c1O	896293242	KXBURXHNHHQWTE-UHFFFAOYSA-N	312.413	3.097	10	20	DGCD	
CC(C)(CCO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796315421	LJTJVMSCRUMTAE-UHFFFAOYSA-N	324.468	3.500	10	20	DGCD	
COc1cc(N(C)CC2(OC)CCCC2)cc(OC)c1OC	792174465	WIVGCRBSKLRLHM-UHFFFAOYSA-N	309.406	3.108	10	20	DGCD	
c1cnc2c(c1)CCC[C@@H]2NCc1ccc(N2CCOCC2)cc1	798926077	HTANADOMWCEZPE-IBGZPJMESA-N	323.440	3.085	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(C)nn2C)cc1F	790600363	AJLXYQWYDVCIGN-UHFFFAOYSA-N	304.413	3.004	10	20	DGCD	
O=C(NCc1ccccc1O)c1csc(-c2ccco2)n1	1318082950	SOIWUFIFGPNBHS-UHFFFAOYSA-N	300.339	3.039	10	20	DGCD	
CCc1ncoc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1	1336868100	RLLOTMBPLCZPRE-UHFFFAOYSA-N	315.417	3.355	10	20	DGCD	
CC[C@@H](C)N(CC)C(=O)NCc1ccc2c(c1)CCCN2C	1261655504	YHDWAHJXMUQEBS-CQSZACIVSA-N	303.450	3.399	10	20	DGCD	
COc1ccc(CNCCc2ccc(C)cc2)c(O)c1OC	1342959682	HRYWIJRZBQHXPN-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
Cc1cccc(F)c1CN[C@H](C)c1cc(C(=O)O)ccc1O	1607855392	SAQBYXTXWBAYJW-LLVKDONJSA-N	303.333	3.389	10	20	DGCD	
CC1(C)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1(C)C	1604545414	GJMUGNZQLQNDSA-SOFGYWHQSA-N	304.346	3.317	10	20	DGCD	
Oc1c(CNC[C@@]2(C(F)(F)F)CCCN2)ccc2ccccc12	1580885577	FKEUOCNSXCAKGB-MRXNPFEDSA-N	324.346	3.320	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](CC(=O)O)c3ccccc3)ccc21	1776884638	BJJUIJSKKMMJSZ-SFHVURJKSA-N	324.424	3.375	10	20	DGCD	
CCN(C)c1ccc(CNC2CCC(C(=O)O)CC2)c(C)c1	1776856713	CYGFNHWCCQOQRP-UHFFFAOYSA-N	304.434	3.184	10	20	DGCD	
Cc1cc(C(=O)COC(=O)[C@@H]2C[C@@H]2C)c(C)n1-c1ccccc1	5405669	PFLWWVWOCULFLL-BLLLJJGKSA-N	311.381	3.476	10	20	DGCD	
CC(C)(C)c1cnc(SCCn2ccc([N+](=O)[O-])n2)s1	164037378	LTBMZYXLXVHWCL-UHFFFAOYSA-N	312.420	3.338	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)COC3)cc1	156265248	LXZBWOOMTBBJIW-UHFFFAOYSA-N	311.385	3.105	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)c1	157848133	RBXGXWSPUXAVCS-LLVKDONJSA-N	310.353	3.373	10	20	DGCD	
CCCNC(=O)C1(NCc2ccc(N(C)C)cc2)CCCCC1	154534495	NIUABLYAPIEIKZ-UHFFFAOYSA-N	317.477	3.071	10	20	DGCD	
Cc1cc(Br)cc(CN(C)[C@H]2CCCOC2)c1O	401590409	WKZLWYSNJCYXLC-ZDUSSCGKSA-N	314.223	3.074	10	20	DGCD	
COc1ccc(N2CCN(Cc3csc(C)c3)CC2)cc1	6797722	UHIKDTJLGVNFCI-UHFFFAOYSA-N	302.443	3.387	10	20	DGCD	
O=C1/C(=C\c2ccccc2)SC(=S)N1Cc1ccon1	178018014	ZLTJIQMQZNTWIB-XYOKQWHBSA-N	302.380	3.076	10	20	DGCD	
COc1ccc(N2CCN([C@H](C)c3ccccn3)CC2)cc1F	122097525	COGABNPFCYOCKC-CQSZACIVSA-N	315.392	3.113	10	20	DGCD	
Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)o1	173203821	RYZQARCXTUURQM-UHFFFAOYSA-N	300.358	3.002	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	188759453	CLGOUVUPRAJCCA-NFAWXSAZSA-N	305.418	3.361	10	20	DGCD	
OCCCN(Cc1cc(F)ccc1O)[C@H]1CCc2ccccc21	180153364	XLXCDPGXZLUBEH-SFHVURJKSA-N	315.388	3.403	10	20	DGCD	
Cc1ccc(C(=O)N2CCC(c3ccsc3)CC2)c(O)c1O	189256111	GMBSXNGPAAKOIV-UHFFFAOYSA-N	317.410	3.488	10	20	DGCD	
CCc1sc(C(=O)NCCc2ccc(O)c(O)c2)cc1C	98076922	XNROCHQMUUJJJN-UHFFFAOYSA-N	305.399	3.003	10	20	DGCD	
CCCN(C(=O)Cc1ccc(N)cc1)[C@H]1C[C@H](OCC)C1(C)C	236754340	DFRKJOPWXFIGKJ-IRXDYDNUSA-N	318.461	3.254	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1	270869703	JMIDBVGSHZFNFD-GOEBONIOSA-N	320.433	3.127	10	20	DGCD	
CC(C)Oc1ccc(N(C)C[C@@H]2CC3(CCC3)C(=O)O2)cc1	277116867	HLZDAEOCDWRRIH-INIZCTEOSA-N	303.402	3.396	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccncc1C	274929741	CQMIMBASPPMIAH-UHFFFAOYSA-N	311.429	3.047	10	20	DGCD	
CCOCc1cc(CN[C@@H](C(C)C)C(C)(C)O)ccc1OC	276622318	LTAUYUCMIFUXNS-KRWDZBQOSA-N	309.450	3.117	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCc2c[nH]nc2C)c1O	275350884	QOARBKGIYJVRNR-JTQLQIEISA-N	324.222	3.345	10	20	DGCD	
CCCCN(Cc1cc(C(N)=O)cs1)Cc1ccccc1O	283122162	VIJLMKSBIMNWEY-UHFFFAOYSA-N	318.442	3.355	10	20	DGCD	
COCCN(CCSC(C)C)c1ccc(OC)c(OC)c1	283264253	WGXLZWQSPOCXQX-UHFFFAOYSA-N	313.463	3.298	10	20	DGCD	
O=S(=O)(CCCCF)Nc1cc(Cl)c(O)c(Cl)c1	294231381	OJFMJORKERKJTB-UHFFFAOYSA-N	316.181	3.190	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)C(F)(F)F)c1ccc(N(C)C)cc1	807139266	AVONNNLMCMUHRE-VHSXEESVSA-N	303.328	3.064	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H](O)c1ccc(Cl)c(F)c1)CC2	296883266	OFXLXUWDLKAWPN-HOCLYGCPSA-N	321.779	3.495	10	20	DGCD	
OCC[C@@H](NCc1cc(F)ccc1O)c1ccc(Cl)cc1	290286980	ZSRKZCRAGLKNMY-OAHLLOKOSA-N	309.768	3.398	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1F	291014715	XEYUAFXLLCAVDY-CQSZACIVSA-N	322.815	3.189	10	20	DGCD	
CC[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C	816564024	RDEKPNMDMWHTDJ-GFCCVEGCSA-N	317.788	3.395	10	20	DGCD	
CN(CCCNC(=S)Nc1ccc(O)cc1)c1ccccc1	726434854	JNJMVXWFDVJWKM-UHFFFAOYSA-N	315.442	3.205	10	20	DGCD	
CCn1cc([C@@H](C)NCc2ccc(Br)cc2O)cn1	826097140	PTYIUABCUOEECM-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
CCOc1cccc(CN(C)[C@H]2C[C@@H](OC)C23CCC3)c1O	825104258	SCXGJLZVQBKGLU-JKSUJKDBSA-N	305.418	3.180	10	20	DGCD	
CCC1(NCc2ccc(N3CCN(C)CC3)cc2)CCCC1	824650112	IULFYDSVBDNOTL-UHFFFAOYSA-N	301.478	3.251	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCC2CCC2)cc1F	731363963	FPDUPQMJYUESGU-UHFFFAOYSA-N	307.413	3.271	10	20	DGCD	
Cc1ccc(NC(=S)NCc2cc(N(C)C)ccn2)cc1C	905619206	RYPBUXJZXWKPKG-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
Cc1nonc1CN1CCCc2cc(OC(F)(F)F)ccc21	733897892	QHYSPQINTOAQOW-UHFFFAOYSA-N	313.279	3.229	10	20	DGCD	
CCN(CC)c1ccc(CNC2CC(CC(=O)O)C2)cc1F	904062410	KMTNDFWDFIOEEF-UHFFFAOYSA-N	308.397	3.015	10	20	DGCD	
CCC[C@H]1CCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	837831618	HBPPCLHANMBNBA-WCQYABFASA-N	306.358	3.040	10	20	DGCD	
C[C@@H]1CCC[C@@H](OCC(=O)NCc2ccc(N(C)C)c(F)c2)C1	732936195	SJZBVADWGKKVQU-UKRRQHHQSA-N	322.424	3.103	10	20	DGCD	
CC[C@H](C)[C@H](OC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839921152	IBQJCXRBCIYKQF-YEWWUXTCSA-N	320.477	3.169	10	20	DGCD	
CCC(CC)CNCc1cc(F)c(N2CCOCC2)c(F)c1	839146437	HPXSFPYXAIQDMY-UHFFFAOYSA-N	312.404	3.327	10	20	DGCD	
Cc1cc(CN(C)c2ccc(OCC(=O)O)cc2)c(C)s1	846279940	QSFJVVMJANIIFL-UHFFFAOYSA-N	305.399	3.465	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc(F)c(Cl)c2)cc1	841045587	NJCWJURJJQBZGG-QGZVFWFLSA-N	321.827	3.335	10	20	DGCD	
CC1CC(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	747100236	GEPPFXILZSIPMR-UHFFFAOYSA-N	303.406	3.473	10	20	DGCD	
COc1cccc2c1OCC[C@H]2NCc1cc(F)ccc1O	848927453	FOSKOKFTQDTGTD-CQSZACIVSA-N	303.333	3.153	10	20	DGCD	
O=C(Nc1ccc2c(cnn2C(F)F)c1)c1cc(O)cs1	747617558	QNZAJCRBBRZOKV-UHFFFAOYSA-N	309.297	3.451	10	20	DGCD	
C[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(Cl)cc1O	842881974	MWAXBKZGDOJDHS-GWCFXTLKSA-N	310.825	3.096	10	20	DGCD	
CCC[C@](C)(O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	740747464	CKJJHEQGVXQBMJ-IBGZPJMESA-N	314.429	3.375	10	20	DGCD	
CC(C)Oc1cncc(C(=O)NCc2cc(Cl)ccc2O)c1	846475751	IAHLDAUMBPICOJ-UHFFFAOYSA-N	320.776	3.158	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@]2(CCCO2)[C@H]1C1CC1	840949589	YPOKIXQIHNRRMH-RTBURBONSA-N	300.446	3.204	10	20	DGCD	
C[C@H](NCCn1cnc2ccccc21)c1cc(F)cc(F)c1O	756481943	HBHIVBYAWCPNOH-NSHDSACASA-N	317.339	3.371	10	20	DGCD	
O=C(CCOc1ccc(F)cc1)NCc1cc(Cl)ccc1O	857547638	NOHURDXLXMIBHS-UHFFFAOYSA-N	323.751	3.270	10	20	DGCD	
CC(C)c1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)on1	756574592	XUDOYRFNPCSIOV-JTQLQIEISA-N	305.334	3.263	10	20	DGCD	
COc1cc(CNC2CCC(C)(O)CC2)c(O)c(C(C)(C)C)c1	850175990	RHVUDIFGOCTCDE-UHFFFAOYSA-N	321.461	3.482	10	20	DGCD	
CCOC(=O)c1[nH]c(C)c(CNCc2cc(C)ccc2O)c1C	858239383	MZKSKHNWTKLBCI-UHFFFAOYSA-N	316.401	3.112	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	756985563	HLGJUPLCTBHZRH-HIFRSBDPSA-N	307.413	3.270	10	20	DGCD	
CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1CC	758168558	CEMXPPRPKZLWQT-UHFFFAOYSA-N	323.389	3.457	10	20	DGCD	
CCC[C@H](OCC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	862002694	VPSFOSGVELFPLM-QAPCUYQASA-N	320.477	3.313	10	20	DGCD	
Oc1nc2ccc(NCc3c(O)ccc(Cl)c3F)cc2[nH]1	863989498	RACBJRCKQNJDRA-UHFFFAOYSA-N	307.712	3.379	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)Nc1ccc(Cl)cn1	879648163	AOTGOOWKNDMBML-GHMZBOCLSA-N	319.792	3.118	10	20	DGCD	
Cc1ccc(CNC[C@@H](c2ccc(F)cc2)N(C)C)c(O)c1	876948021	CWWCLGKPNZOJEV-KRWDZBQOSA-N	302.393	3.232	10	20	DGCD	
Cc1ccncc1[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1	770721909	BGCDBEQXVHYIFH-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
CCCn1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)nn1	876584733	NQXZVALMVZUPCH-UHFFFAOYSA-N	315.465	3.165	10	20	DGCD	
CC[C@@H](C)C(=O)N1CCC[C@H]1CNCc1ccc(OC)c(C)c1	1044932762	SRQFCUKPTJQIGV-PBHICJAKSA-N	318.461	3.130	10	20	DGCD	
COc1ccc(N2CCN(Cc3cc(C)oc3C)CC2)cc1F	770306238	LKFGHJGABMBDPJ-UHFFFAOYSA-N	318.392	3.366	10	20	DGCD	
COc1ccc(CNCCNC(=O)CC(C)(C)C2CC2)cc1C	1126746419	OEEBTWAEQWRDJN-UHFFFAOYSA-N	318.461	3.036	10	20	DGCD	
C[C@H](NC(=O)NCC1CCSCC1)c1ccc(N(C)C)cc1	773611714	JONNBSFSDHHOEU-ZDUSSCGKSA-N	321.490	3.256	10	20	DGCD	
CN(C)c1ccc(-c2nc(-c3cn(CCF)nn3)cs2)cc1	887379782	GKSFAEQRIBGROP-UHFFFAOYSA-N	317.393	3.104	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N(C)CCCF)cc2)CC1	884136936	ZHODJHIADCYSQI-UHFFFAOYSA-N	321.440	3.424	10	20	DGCD	
COc1ccc(CN(C)C[C@H](C)c2nccs2)c(O)c1OC	893536584	WLYMUFSCVANAEA-NSHDSACASA-N	322.430	3.101	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@H]2CCC(C)(C)C2)cc1C	1133536657	BBUAGALVLGMJNL-INIZCTEOSA-N	318.461	3.036	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)/C(F)=C/C1CCCCC1	798176099	YDOACWDTZVJYNF-UVTDQMKNSA-N	307.365	3.190	10	20	DGCD	
O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2cc(F)cc(F)c2O)cc1	1608814126	BAHDUOOPKFGBCL-UONOGXRCSA-N	319.307	3.471	10	20	DGCD	
CC(C)(NCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)O	1609680623	CEHUUGRYKSOUGU-UHFFFAOYSA-N	324.424	3.202	10	20	DGCD	
COCCCCN(C)Cc1cccc(Br)c1O	397098090	BQZXSUXHIRGJRB-UHFFFAOYSA-N	302.212	3.013	10	20	DGCD	
Cc1cc(C(=O)N2C[C@H]3[C@H](C2)C3(C)C)c(C)n1-c1ccccn1	174254936	JWBYNINQLFUSOT-HOTGVXAUSA-N	309.413	3.217	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cc(F)ccc2C)c1	114565406	YNRJXELDHRJVRB-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCc2ccccc21	111880298	VJFKFUZUJANQMP-HNNXBMFYSA-N	310.397	3.264	10	20	DGCD	
CCOCCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCC1	119527588	YGFJJXQPIQCIKC-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc2c(cc1O)CCCC2)N(C)C1CC1	185369075	RLJCZZGMEDDYOI-UONOGXRCSA-N	302.462	3.404	10	20	DGCD	
COc1ccc(O)c(CNCCc2ccccc2OC(F)F)c1	188994933	YOMVHYGDLSVKOX-UHFFFAOYSA-N	323.339	3.335	10	20	DGCD	
C[C@@](O)(CCNCc1cccc(Cl)c1O)c1ccccc1	190275840	UTNJTWDIXIZTEK-QGZVFWFLSA-N	305.805	3.433	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1	91957519	CWHZSMZKBOQJGL-ROUUACIJSA-N	314.429	3.434	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(N3CCCC3=O)cc2)c1	237363502	GNHYLJNCASBLHI-UHFFFAOYSA-N	312.369	3.140	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2c3ccccc3C[C@H]2O)cc1	269086280	PMZQNXPOMUJZMW-KPOBHBOGSA-N	310.441	3.452	10	20	DGCD	
Cc1noc(C[C@@H](NCc2cccc(C)c2O)c2ccccc2)n1	277364523	FJIOWXIWTGYQFB-QGZVFWFLSA-N	323.396	3.466	10	20	DGCD	
CC(C)N1CCC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1	273604895	SZXDLRBZOVLKPJ-KBPBESRZSA-N	321.421	3.071	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)N[C@H](C)c1cc(OC)ccc1O	295135210	PDGYTWSLFGMLRD-MNOVXSKESA-N	321.339	3.409	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1O	827916413	HLLSPLROIAHLCK-CYBMUJFWSA-N	324.380	3.010	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc(Br)cc(F)c1O)[C@@H](C)O	834886962	GGYHVUGRKGVWSV-SXMVTHIZSA-N	320.202	3.104	10	20	DGCD	
COCCOc1ccc(NC(=O)c2cc(O)cs2)c(C)c1	732274543	QTVCOUJJUGLGPF-UHFFFAOYSA-N	307.371	3.040	10	20	DGCD	
O=C(NCCCSc1nccs1)c1ccc2c(c1)COC2	733972022	INLVLIUFFWNQLK-UHFFFAOYSA-N	320.439	3.086	10	20	DGCD	
CCC1(CNC(=O)c2sccc2-n2c(C)ccc2C)COC1	836989985	OUHOJRMRQOGBRF-UHFFFAOYSA-N	318.442	3.312	10	20	DGCD	
CC/C=C/CNC(=O)NCc1ccc(N2CCSCC2)cc1	836243057	SUGPPYNGCNKKGG-ONEGZZNKSA-N	319.474	3.005	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc(F)ccc1O	834890096	CWXFBLWNFOGIMB-WBHUJUFNSA-N	316.376	3.497	10	20	DGCD	
CO[C@@H](CC(C)C)C(=O)NCc1ccc(N2CCCCC2)cc1	841385153	RSYZHSKJLGQCCE-SFHVURJKSA-N	318.461	3.354	10	20	DGCD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(O)cc2O)cc1C	910943211	KPSPPTDTJMXNOP-DLBZAZTESA-N	311.381	3.135	10	20	DGCD	
C[C@@H]1CC(C)(C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	840303844	DQWDAGBMZRZARB-OAHLLOKOSA-N	313.445	3.393	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	840945831	YUGALSKOWZQAQC-JZFKGDSASA-N	314.473	3.234	10	20	DGCD	
C[C@@H]1C[C@H](CN(Cc2ccc(N(C)C)cc2)C2CC2)CCN1	841004173	BNODEOJMHACPAJ-NVXWUHKLSA-N	301.478	3.105	10	20	DGCD	
CCN1C(=O)/C(=C/c2c(Cl)nc3ccccn23)SC1=S	916134768	RROPEAFXYGYHIG-CLFYSBASSA-N	323.830	3.209	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H](C)CCO)c2C)c1	746227756	UZSLOOYXAICTEB-AWEZNQCLSA-N	314.429	3.212	10	20	DGCD	
O=C([C@@H]1CCCS1)N(Cc1ccco1)Cc1ccccc1O	743428668	GZVUCZIBCRXSKN-INIZCTEOSA-N	317.410	3.410	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(C)(C(=O)O)CC2)cc1	843041730	VDFPRVLGJWADFY-UHFFFAOYSA-N	304.434	3.220	10	20	DGCD	
COc1cccc([C@@H](C)NCC(C)(C)c2cccnc2)c1O	846171920	JNXZIBJQHSWBRI-CYBMUJFWSA-N	300.402	3.424	10	20	DGCD	
Clc1ccc(CCNCc2ccc3c(c2)CCCO3)cn1	921842845	RELKYALSQUYMNJ-UHFFFAOYSA-N	302.805	3.392	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H](CO)Cc2ccccc2)c2c(O)ccc(F)c21	756586277	QDPRQKHYKWTPDS-XPKDYRNWSA-N	315.388	3.273	10	20	DGCD	
C[C@H](C[C@H]1CCOC1)NCc1c(O)cccc1Br	858149940	ANBKRIAACNMWIS-GHMZBOCLSA-N	314.223	3.059	10	20	DGCD	
COc1ccc(F)c(CNCc2cc(F)c(N(C)C)cc2F)c1	858196821	ZHASXATWPMNTTR-UHFFFAOYSA-N	324.346	3.468	10	20	DGCD	
COc1cc(CN[C@@H](C)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1	850160183	QBOIZMZQKMWFES-STQMWFEESA-N	307.434	3.213	10	20	DGCD	
CS[C@@H]1CCN(Cc2c(O)cccc2Br)C1	862385189	PPZIQVMLRDKESX-SECBINFHSA-N	302.237	3.092	10	20	DGCD	
Cc1cc(=NC(=O)NCc2ccc(N3CCCC3)cc2)c(C)c[nH]1	767941617	FAUOVPCAGATMFW-UHFFFAOYSA-N	324.428	3.042	10	20	DGCD	
COc1cccc(CN(C)Cc2cc(OC)c(C)cc2O)c1	768438349	RMIPHXOCAWUHMA-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
CCCCCn1cc(CNC(=O)c2cc(O)cs2)c(C)n1	768561283	GTYUZYAHWHAJHV-UHFFFAOYSA-N	307.419	3.079	10	20	DGCD	
C[C@@H](NC1(C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1	777149492	OFAYZYYPTMGXNF-CYBMUJFWSA-N	304.409	3.256	10	20	DGCD	
C[C@H](NC(=O)c1csc(C=O)c1)c1ccc(N(C)C)cc1	775406882	PRUHAPIAEIILBU-NSHDSACASA-N	302.399	3.118	10	20	DGCD	
C[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC(C)(C)O1	773610012	BTAFVGSSTJOWIX-KBPBESRZSA-N	319.449	3.023	10	20	DGCD	
CCCCN(Cc1ccccc1O)c1cc(Cl)nnc1O	872536951	NPAGLICNBMEZLA-UHFFFAOYSA-N	307.781	3.348	10	20	DGCD	
CCCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)CC(F)(F)F	774841008	QKYOLJZYXLHKAH-UHFFFAOYSA-N	322.283	3.083	10	20	DGCD	
CN(C)c1ccc(CNc2nnc(-c3ccco3)o2)cc1F	777505121	JCLOLCSASUPRTF-UHFFFAOYSA-N	302.309	3.147	10	20	DGCD	
CN(C)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)c(F)cc1O	1117720975	IIFPPHMNXYCZBK-UONOGXRCSA-N	300.805	3.147	10	20	DGCD	
CCCOc1ccc(CNCc2nc(C(F)F)no2)cc1C	1120060066	VXGUGBCURANVSY-UHFFFAOYSA-N	311.332	3.394	10	20	DGCD	
Cc1ccc([C@H](O)[C@H](C)NCc2cc(F)cc(F)c2O)cc1	883117725	GPBYCCBEOMMWRZ-MEDUHNTESA-N	307.340	3.191	10	20	DGCD	
CCN(Cc1cccc(C)c1O)C[C@@H]1COc2ccccc2O1	775642599	MJPLFNJPYNMJCS-MRXNPFEDSA-N	313.397	3.363	10	20	DGCD	
CCCN(C)C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775723644	CQZOVLXDWODVHX-GFCCVEGCSA-N	314.832	3.348	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H]1CCCOC1	780861659	UFSMYTKYDOVCSI-GOEBONIOSA-N	320.433	3.129	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCOC1	780713250	BJTIOAKPKQXCDL-WBVHZDCISA-N	320.502	3.145	10	20	DGCD	
Cc1sccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	880400044	BXGRDAPVVLEFFH-VIFPVBQESA-N	306.387	3.220	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CCC(C)(C)O)cc1	786764728	GVGCWHVCEZVSQD-UHFFFAOYSA-N	306.450	3.042	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC1CCN(CC2CCCC2)CC1	882941994	IOJMBPHZBOZJTI-UHFFFAOYSA-N	324.415	3.415	10	20	DGCD	
COc1ccccc1CCNCc1cc(C)cc(OC)c1O	894148624	BPFAPNOYGSIDRM-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
COc1cc(C)cc(CNCC(C)(C)C2CCOCC2)c1O	897441765	ILCXYNILDGSGDE-UHFFFAOYSA-N	307.434	3.252	10	20	DGCD	
COc1ccc(CNc2ncc(Br)cc2C)c(O)c1	795284904	MLPGCHALJKBENL-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
Cc1nc(CN(C)c2ccc(OCCN(C)C)cc2)sc1C	893571238	KXVZQJFBNDZPMJ-UHFFFAOYSA-N	319.474	3.337	10	20	DGCD	
Oc1cccc(Br)c1CNCC1CC(F)(F)C1	706835789	SCAPYQQHFFIGFU-UHFFFAOYSA-N	306.150	3.290	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)C(=O)c1ccccc1	792098397	ZJPJGJCUPJEQDH-UHFFFAOYSA-N	322.408	3.176	10	20	DGCD	
COCC(C)(C)N(C)Cc1ccc(Br)cc1O	691679205	PVLHFLJJFRHIKY-UHFFFAOYSA-N	302.212	3.012	10	20	DGCD	
OC1(c2ccc(NCc3ccc(N4CCCC4)cc3)cc2)COC1	1323384850	IVGYOODURAUAQM-UHFFFAOYSA-N	324.424	3.117	10	20	DGCD	
CO[C@@H](CN[C@H]1CCc2cccc(O)c21)c1ccc(F)cc1	1324541368	JYLQWXBMHXNUKM-RDJZCZTQSA-N	301.361	3.496	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccn(C3CCCCC3)n2)c(O)c1O	1320825171	LVKZPFYPUHSLBR-UHFFFAOYSA-N	315.373	3.360	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)o1	1254721240	NSSATHVQQVKPNZ-UXIGCNINSA-N	301.386	3.474	10	20	DGCD	
CC[C@@H](C)n1nccc1C(=O)N[C@H](C)c1cc(OC)ccc1O	1346695967	OSZZJZJSKPYJQJ-VXGBXAGGSA-N	317.389	3.059	10	20	DGCD	
COc1cccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)c1	176372	RLBRMSLPHMHLMC-GZTJUZNOSA-N	322.364	3.106	10	20	DGCD	
CN(C)c1ccc(OC[C@@H]2CCCC3(CCC3)O2)cc1C(=O)O	1606059092	XRCGJRPZKRGMED-AWEZNQCLSA-N	319.401	3.321	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c(Cl)c1	1600285834	HGOHNYAMRIEBPE-WDMOLILDSA-N	309.793	3.039	10	20	DGCD	
CC[C@H](N[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O	227683657	JNFLENOORQVLII-OCCSQVGLSA-N	308.422	3.346	10	20	DGCD	
C[C@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CCN1	1576809470	ZDGJDGPHAVYVEH-KRWDZBQOSA-N	321.468	3.043	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)c2c(F)cccc2F)c1	158446391	MQMISDXERNCTEO-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](N3CCCC3)CC2)cc1C	153448066	JDANRTRPTSZACC-SFHVURJKSA-N	302.462	3.459	10	20	DGCD	
CN(C)[C@H](CNCc1cccc(Cl)c1O)c1ccccc1	159730198	KUSFURBKUGNZCV-MRXNPFEDSA-N	304.821	3.438	10	20	DGCD	
C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CN1Cc1ccccc1	398187764	YPNLTPUOXPBHOJ-RDTXWAMCSA-N	324.428	3.053	10	20	DGCD	
Cc1ccc(O)c(CNCc2ccc(N3CCCC3=O)cc2)c1	103855039	RTJCIMOPNCIWFT-UHFFFAOYSA-N	310.397	3.117	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cccc(SC)c2)c1	114564713	URBOCTWRKAONNQ-UHFFFAOYSA-N	318.398	3.444	10	20	DGCD	
C[C@@H](N(C)C(=O)NCc1ccc(N(C)C)c(F)c1)C1(C)CC1	176465548	OXIUGHHXRFTCTQ-GFCCVEGCSA-N	307.413	3.222	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1C	125316741	OOOILLVDDAAQFS-UHFFFAOYSA-N	324.380	3.475	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@@H](C)c1cc(OC)ccc1O	186176888	SZFKXPOGRXBALZ-LBPRGKRZSA-N	317.433	3.110	10	20	DGCD	
COCC[C@@](C)(O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1O	185467951	UCOQDIBQYRGDGB-LKFCYVNXSA-N	322.232	3.137	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1F	73915811	UFXRULGUWBASAK-HOCLYGCPSA-N	319.424	3.366	10	20	DGCD	
C[C@@H](NCCCNC(=O)c1cccc(F)c1)c1ccccc1O	183599619	CRVKZKAYJQVECV-CYBMUJFWSA-N	316.376	3.002	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc(-n3cncn3)cc2)c1	185353560	JOFHKYRWQIMELE-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(F)cc1	30990535	IBWKVEYCXMWMDU-UHFFFAOYSA-N	315.392	3.233	10	20	DGCD	
Cc1ccc(O)c(CNc2nnc(Cc3ccccc3F)o2)c1	181832206	MCIDFVSFIDJIPM-UHFFFAOYSA-N	313.332	3.426	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2O)cc1O	187688426	YNBMHKSULPLPKO-VIFPVBQESA-N	309.312	3.235	10	20	DGCD	
CC(C)C(=O)NCCN[C@H](C)c1ccc(Cl)c(Cl)c1O	184869616	MPOSKZIAHQPYFR-SECBINFHSA-N	319.232	3.122	10	20	DGCD	
C[C@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	47098325	PTWCZJIZGLZZQB-DOTOQJQBSA-N	315.461	3.474	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1CCC[C@H](C(F)(F)F)C1	133753200	OSACLNMHICHLIS-JQWIXIFHSA-N	301.308	3.377	10	20	DGCD	
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1O	193079842	IFJKWTHOCYDOEK-DGCLKSJQSA-N	315.344	3.255	10	20	DGCD	
CCN(Cc1cc2c(cc1O)OCO2)[C@@H](C)c1cccc(O)c1	91975286	ZFQWKBBCZSNZLO-LBPRGKRZSA-N	315.369	3.410	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@@H]2CCCc3c2cnn3C)c1	93864281	NWHXSLRPZAOTEY-MRXNPFEDSA-N	315.417	3.034	10	20	DGCD	
COc1cccc(CN(Cc2ccco2)C[C@H]2CCCO2)c1O	92437002	WXOBNPJGPHWOCB-MRXNPFEDSA-N	317.385	3.175	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)[C@@H](O)Cc2ccccc2)c1	248519044	QHJRZWMKNJTLHB-KSMMKXTCSA-N	315.413	3.044	10	20	DGCD	
C[C@H](NCc1cccc(Cl)c1O)[C@H](O)c1cccc(F)c1	271858909	VLGQGKGTAPWURF-BONVTDFDSA-N	309.768	3.396	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)Nc2cccc(N3CCNC3=O)c2)c1	273346933	AVCNEMMWAONCAL-CYBMUJFWSA-N	311.385	3.403	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1Cc2ccccc2C1	277561891	ZUMPZDFLAYLQGN-UHFFFAOYSA-N	308.425	3.126	10	20	DGCD	
CCc1nc([C@H]2CCCCN2Cc2cccc(C)c2O)no1	378442586	KEVBSHQDRRDFLN-CQSZACIVSA-N	301.390	3.373	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1snnc1CC	282429510	HHBDRRSYQYSUBE-UHFFFAOYSA-N	319.430	3.249	10	20	DGCD	
Cc1nc2ccccc2n1CCN[C@H]1CCc2cccc(O)c21	296126438	VOXURFMGPSPXPE-INIZCTEOSA-N	307.397	3.327	10	20	DGCD	
C[C@@H]1C[C@H](O)CN1Cc1ccc2c(c1)CCN2Cc1ccccc1	809651840	BFWLDROJCNYQGU-UZLBHIALSA-N	322.452	3.204	10	20	DGCD	
CCCCN(Cc1ccccc1O)c1cc(Cl)nc(N)n1	800887290	NSKAAQDITITXDF-UHFFFAOYSA-N	306.797	3.225	10	20	DGCD	
CN1CCC([C@@H]2CCN(Cc3cccc(Cl)c3O)C2)CC1	290605304	WGKMVTGBPCHZNX-CQSZACIVSA-N	308.853	3.209	10	20	DGCD	
COc1cc(Cl)cc(CNCc2cnc(C)cc2C)c1O	397115069	VYRGXASRTCPTNX-UHFFFAOYSA-N	306.793	3.356	10	20	DGCD	
Cc1cc(CN[C@@H](CCO)c2cccs2)ccc1N(C)C	815088109	AVILJYFVYHSFSC-HNNXBMFYSA-N	304.459	3.336	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)C[C@H](O)Cc1ccccc1	816625116	RVMKQJHKIDYCGW-OAHLLOKOSA-N	323.795	3.220	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)C3(C)CCCC3)C2)cc1	819581864	FFBSRHROLRFAJH-OAHLLOKOSA-N	316.445	3.218	10	20	DGCD	
C[C@H](Cn1cccn1)NCc1cc(-c2ccccc2)ccc1O	725847450	MORBXVNVCSSWGX-OAHLLOKOSA-N	307.397	3.434	10	20	DGCD	
CN(C)c1ccc(CNCc2cnc3ccccc3n2)cc1F	727644318	IAVFCMKSDGPMDU-UHFFFAOYSA-N	310.376	3.125	10	20	DGCD	
CCSc1ccccc1C(=O)NCc1cccc(OC)c1O	729859823	XEHWOFUEYOKHRL-UHFFFAOYSA-N	317.410	3.443	10	20	DGCD	
CN1C(=O)/C(=C\c2sccc2Br)SC1=S	588467652	KJBCHEIDBNAZRZ-QPJJXVBHSA-N	320.258	3.342	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2c(Cl)cccc21	588404776	HEZCNPCCYOETSU-ALCCZGGFSA-N	315.756	3.354	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@H]1c1ccccc1	827720948	XOQCWTJYFRHRCI-DLBZAZTESA-N	311.381	3.298	10	20	DGCD	
Cc1nnsc1CN(C)Cc1ccc(N2CCCCC2)cc1	820851669	PWXZEYWAFBTDGP-UHFFFAOYSA-N	316.474	3.469	10	20	DGCD	
Cc1ccccc1CNC(=O)NCc1ccc(N(C)C)cc1C	734653094	AFLKQQQAIVTQPH-UHFFFAOYSA-N	311.429	3.369	10	20	DGCD	
Cc1ccc2c(CCNC(=O)c3cc(O)cs3)c[nH]c2c1	732281601	SBWWKJZRBXVYSG-UHFFFAOYSA-N	300.383	3.216	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnc(C3CC3)nc2)cc1	838906823	QNGGMHUJIFZHIV-UHFFFAOYSA-N	310.445	3.490	10	20	DGCD	
Cc1cc(O)c(CN(CCc2ccccc2)CC(=O)O)cc1C	833746724	GZYOOQXGHHAPOF-UHFFFAOYSA-N	313.397	3.138	10	20	DGCD	
Cc1cc(CCN[C@@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1	902731196	WHZXPVAEMFAKPI-HNNXBMFYSA-N	323.444	3.116	10	20	DGCD	
CC(=O)Nc1ccc(C)cc1OCc1cc(C(=O)O)oc1C	736162807	UMYMPDQKIOODBQ-UHFFFAOYSA-N	303.314	3.132	10	20	DGCD	
Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cc(O)cs1	731912613	UWBAHRFFWBWDFJ-NSHDSACASA-N	319.382	3.255	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ncoc2C(C)C)c1	732286594	HQKJPHOLNKPUDM-JTQLQIEISA-N	304.346	3.003	10	20	DGCD	
CC[C@@H](NCc1nc(C2CC2)n[nH]1)c1cc(Cl)ccc1O	834872513	YFRMFNAFYFLPKI-GFCCVEGCSA-N	306.797	3.282	10	20	DGCD	
CCCCCn1nc(C)cc1NC(=O)Cc1ccc(N)cc1	831042936	XUTIXHQYBPOTPQ-UHFFFAOYSA-N	300.406	3.145	10	20	DGCD	
CC1(C)Oc2ccc(NC(=O)NCc3ccccc3O)cc2O1	748441924	DONFNYYBJJAFHJ-UHFFFAOYSA-N	314.341	3.221	10	20	DGCD	
CO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C	841756120	RBEOLLGQIJOGTL-APWZRJJASA-N	320.477	3.235	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)cc1	842886663	TVZINZWPAYUUST-YOEHRIQHSA-N	317.477	3.193	10	20	DGCD	
CCc1cccc(CN[C@@H](CO)c2c(F)cccc2F)c1O	848896681	HEZRSBMOMGVVHQ-HNNXBMFYSA-N	307.340	3.056	10	20	DGCD	
CCc1cccc(CN2CC[C@](CO)(c3ccccc3)C2)c1O	848912505	GWSKHGCZOHYLSK-FQEVSTJZSA-N	311.425	3.091	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](c2cccs2)N(C)C)c1O	846135732	FUEFSGAORLYPPR-TZMCWYRMSA-N	320.458	3.416	10	20	DGCD	
Oc1c(Cl)cccc1CN1C[C@@H](O)C[C@@H]1c1ccccc1	840958109	NOCJKOSOCYOZGS-GOEBONIOSA-N	303.789	3.354	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1cncnc1C	848552953	GTBAUIXLNMPTOR-GDBMZVCRSA-N	312.461	3.441	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@H](Oc2cccc(F)c2)C1	753589603	KFQXQKVDLPTODP-HNNXBMFYSA-N	317.360	3.193	10	20	DGCD	
C[C@@H](NCCc1ccc(CO)cc1)c1cc(F)cc(F)c1O	756787985	AMASOHCNCNUUQJ-LLVKDONJSA-N	307.340	3.056	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H](CO)c2ccccc2)c2c(O)ccc(F)c21	756653820	HDTJTWQPBFDWFW-DFBGVHRSSA-N	301.361	3.403	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1ccc(Br)cc1O)C(C)C	756628074	VEFIAZPXFHGOCJ-HZMBPMFUSA-N	316.239	3.476	10	20	DGCD	
C[C@H](Cc1ccccn1)NCc1cc(F)c(N(C)C)cc1F	858185996	NPHOFBUEDUBPPA-GFCCVEGCSA-N	305.372	3.147	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2cnn(CC(F)(F)F)c2)c(O)c1	756659201	PKMLKTTUHGTPDG-LLVKDONJSA-N	313.323	3.310	10	20	DGCD	
Cc1oc2ccccc2c1CC(=O)NCc1ccc(O)c(O)c1	768293536	MULCTIKWAVUBQM-UHFFFAOYSA-N	311.337	3.011	10	20	DGCD	
Cc1cccc(CN(C)Cc2c(O)cccc2Br)n1	862247809	CSKMWHLIGFFJPM-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
CCC1(CC)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCS1	768540099	RGHVDVFLPLTVNH-VURMDHGXSA-N	321.442	3.245	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC(C)(C)CO)c2C)c1	778395773	TVOQIBHSOXMZSS-UHFFFAOYSA-N	314.429	3.212	10	20	DGCD	
C[C@@H](NCCCn1cncn1)c1ccc(N2CCCCC2)cc1	776972821	BLVAEPKYHLFYFQ-MRXNPFEDSA-N	313.449	3.009	10	20	DGCD	
COc1cc(SC)ccc1NC(=O)c1ccc(C)c(O)c1O	773252778	WMIMLHZGTPTZEB-UHFFFAOYSA-N	319.382	3.389	10	20	DGCD	
C[C@H]1CCCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	776127343	NEVQVCGHDZMGFA-ZDUSSCGKSA-N	307.413	3.223	10	20	DGCD	
O=C(NCCCC(F)F)NCc1c(O)ccc2c1CCCC2	1119687907	OCDYAAQXMBQAOA-UHFFFAOYSA-N	312.360	3.116	10	20	DGCD	
CC(C)N(Cc1ccc(N2CCN(C)CC2)cc1)C1CCC1	775716315	UAJJHSGEBIWJDZ-UHFFFAOYSA-N	301.478	3.201	10	20	DGCD	
C[C@H](NCC(=O)OCc1ccccc1)c1ccc(N(C)C)cc1	775833798	MQQCKUJHWWTIAB-HNNXBMFYSA-N	312.413	3.147	10	20	DGCD	
C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@H](C)S1	773624471	MOEGYEHZLSWTRP-MGPQQGTHSA-N	321.490	3.349	10	20	DGCD	
C[C@@H](NC(=O)Cc1c[nH]c2ncccc12)c1ccc(N(C)C)cc1	773012329	BDRCRPCIMJLBGY-CYBMUJFWSA-N	322.412	3.049	10	20	DGCD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C1/SC(=S)NC1=O	787166553	ATXFFAWOTQUQJJ-XSIURBDDSA-N	306.368	3.030	10	20	DGCD	
CN(C)c1ccc(CN(c2ncncc2Cl)C2CC2)cc1	786778238	ZYHPMITXWTXERB-UHFFFAOYSA-N	302.809	3.365	10	20	DGCD	
CCN(CC(N)=O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	789596044	JJPKXYYXNBMJGG-UHFFFAOYSA-N	320.477	3.294	10	20	DGCD	
CCOCc1nc(C)cc(N[C@H](C)c2cc(OC)ccc2O)n1	892331085	RPQLXSOGVUEQSN-GFCCVEGCSA-N	317.389	3.209	10	20	DGCD	
COCCN(Cc1cc(OC)c(C)cc1O)[C@@H]1CC[C@@H](C)C1	790477708	HOOLZWRWPUVPHM-CZUORRHYSA-N	307.434	3.346	10	20	DGCD	
CC[C@H](NCCC(C)(C)O)c1cc(Br)ccc1O	274792011	OHXKZSZJGRQZGI-LBPRGKRZSA-N	316.239	3.356	10	20	DGCD	
CN(C)c1ccc(CNCC2(O)CCCC2)c(C(F)(F)F)c1	792980395	BAZROIDAMRGYOW-UHFFFAOYSA-N	316.367	3.166	10	20	DGCD	
COc1ccc(CN[C@@H]2CCc3c(cccc3OC)C2)c(O)c1	793386411	PGEMPDZYXXCZDP-OAHLLOKOSA-N	313.397	3.057	10	20	DGCD	
CCN(Cc1ccc(N2CCOCC2)c(F)c1)CC1CCC1	793350274	DCRWVVRGRYXXCK-UHFFFAOYSA-N	306.425	3.284	10	20	DGCD	
CC(C)OCCCCNCc1ccc(Br)cc1O	691488399	MHFURHGTEKJRRL-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
O=C(Cc1ccccc1Br)NCc1ccccc1O	692459017	XSBZXCGMZKPOTL-UHFFFAOYSA-N	320.186	3.014	10	20	DGCD	
CC(C)[C@H](C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089844435	BXNPUMKVJBZZIA-AWEZNQCLSA-N	319.424	3.156	10	20	DGCD	
c1c[nH]c([C@@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)n1	1319696398	RVVMLFAULAQQLD-QGZVFWFLSA-N	310.445	3.390	10	20	DGCD	
Cc1cnn([C@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)c1	1324621893	DKJPTOQLIKSPPJ-IBGZPJMESA-N	310.445	3.239	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)[nH]1	1321280844	HPDWKXMPXNFMAF-UHFFFAOYSA-N	313.401	3.435	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc(Cl)c(C(=O)O)n2)cc1C	1607699886	OFXRDPYZQVTUKG-UHFFFAOYSA-N	320.776	3.045	10	20	DGCD	
O=C(O)C[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1O	1602113685	HJZHDNSHNUJFPB-HNNXBMFYSA-N	319.788	3.221	10	20	DGCD	
Cc1cc(CN2CC[C@@H](C(=O)O)[C@@H]2C)c(O)c(C(C)(C)C)c1	1610461085	IUKCHHQWSVDSJU-GXTWGEPZSA-N	305.418	3.293	10	20	DGCD	
O=C(O)[C@H]1C[C@H](C2CCCCC2)CN1Cc1ccccc1O	1610736681	YOCJOGPZRURKAE-JKSUJKDBSA-N	303.402	3.248	10	20	DGCD	
O=C(O)[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)c2ccccc21	1594903446	UXRCJQSUVXWFHV-IRXDYDNUSA-N	309.365	3.024	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](CC(C)(C)C)C(=O)O)ccc21	1776877061	KACCMXXBCZYATB-HNNXBMFYSA-N	304.434	3.048	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC=CC[C@@H]2C(=O)O)cc1F	1776861040	XKJCIDDRNIHLKN-GOEBONIOSA-N	320.408	3.181	10	20	DGCD	
Cc1ccc(C(=O)O)c(NCc2c(O)ccc3c2CCCC3)n1	1777435625	AJDAAKBEOVFNEI-UHFFFAOYSA-N	312.369	3.285	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)c2ncon2)c1C	154484913	VXVSGVKEJBLDFM-CYBMUJFWSA-N	324.384	3.277	10	20	DGCD	
CCC1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCCC1	154650225	RNSQUOHBJUAJQB-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
Cc1nn(C)cc1CNCc1cc(Cl)cc(Cl)c1O	168671825	AISNERYKWVLMKP-UHFFFAOYSA-N	300.189	3.031	10	20	DGCD	
CN1CCCc2cc(CNC(=O)C3(c4ccccc4)CC3)ccc21	58768821	VDVUQYFDCJDOKZ-UHFFFAOYSA-N	320.436	3.417	10	20	DGCD	
O=C(CC[C@H]1CCCCO1)NCCCSc1nccs1	114374548	PDQBCBKYCHULPI-GFCCVEGCSA-N	314.476	3.091	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1[nH]nc2c1CCCC2	170731957	CFSHWIJFRPBAIY-UHFFFAOYSA-N	313.401	3.047	10	20	DGCD	
CO[C@@H]1CCN(Cc2cccc(Br)c2O)[C@H](C)C1	302276896	BJDPUBUFIHERKU-ZYHUDNBSSA-N	314.223	3.154	10	20	DGCD	
COc1ccc(O)c(CNc2c(F)cc([N+](=O)[O-])cc2F)c1	301801388	UBAGIZYKVIDIQG-UHFFFAOYSA-N	310.256	3.199	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccco1	305160443	WWHXCYVSFLOVPT-HNNXBMFYSA-N	314.429	3.339	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1C(=O)NCCCSc1nccs1	185648631	SKLDGNWXFCZZQB-NWDGAFQWSA-N	313.492	3.455	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1	181063619	TWKLSUQHWPOYKN-OWQGQXMQSA-N	306.425	3.380	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)cc(OC)c2O)cc1O	184706837	HDEPXSUYSHECBT-UHFFFAOYSA-N	323.776	3.058	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc3ncccc3c2)cc1	120816100	SAXPWXFCIKLEIK-UHFFFAOYSA-N	305.381	3.231	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2oc(C)nc2C)cc1	72985188	KXRZEPPSFRNSEO-UHFFFAOYSA-N	301.390	3.068	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CC[C@@H](C(=O)OCC)C2)c(O)c1	125810842	ZECBYIOQWQBNJC-HIFRSBDPSA-N	321.417	3.002	10	20	DGCD	
CC(C)c1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cs1	183420888	UWGKAKUPSZVTQG-JTQLQIEISA-N	320.414	3.039	10	20	DGCD	
CCOC(=O)N1CCC([C@H](C)NCc2cccc(C)c2O)CC1	189994759	XPRJEIOHQBSEKE-AWEZNQCLSA-N	320.433	3.047	10	20	DGCD	
Cc1cccc(CN(C)CC(=O)Nc2cc(F)cc(F)c2)c1O	180028330	GGGRTWOKWLRUDF-UHFFFAOYSA-N	320.339	3.049	10	20	DGCD	
CC(C)(C(=O)O)[C@H]1CCCN(Cc2c(O)cccc2Cl)C1	135049175	UCSHFIJCAOFQNK-NSHDSACASA-N	311.809	3.368	10	20	DGCD	
C[C@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1cc(Cl)ccc1O	248521663	RNLSVBIIMRVJFK-UDTVLSCZSA-N	303.789	3.355	10	20	DGCD	
Cc1c(CNC(=O)Cc2ccc(O)cc2)n(C)c2ccccc12	348658560	FORUOHASEDBDOU-UHFFFAOYSA-N	308.381	3.051	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1	360039886	ZNXGKPKSHDSFOD-USXIJHARSA-N	305.418	3.084	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCC2([S@](C)=O)CCC2)cc1	280907963	CTUYIMVSFZOBPN-QKKBWIMNSA-N	308.491	3.095	10	20	DGCD	
Cc1nc2ccccc2n1CCNCc1c(O)cccc1Cl	378900700	WQKOEELXWXOUDR-UHFFFAOYSA-N	315.804	3.494	10	20	DGCD	
CC[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1O	286337741	YRAWWVKVDLVCAA-ZFWWWQNUSA-N	309.381	3.258	10	20	DGCD	
CC[C@H](NCCCN1CCCCC1=O)c1cccc(Cl)c1O	806138644	YQONCNVUGPABEE-HNNXBMFYSA-N	324.852	3.489	10	20	DGCD	
C[C@@]1(CCCO)CCCN1Cc1cc(Cl)cc(F)c1O	809756349	GNVWTXCBSFCVEE-HNNXBMFYSA-N	301.789	3.312	10	20	DGCD	
CCSCCCNC(=O)NCc1ccc2c(c1)CCCN2C	800002647	VAJVRSZBTFBOQD-UHFFFAOYSA-N	321.490	3.011	10	20	DGCD	
CCc1nnc(CN[C@@H](C)c2ccc(N(C)CC)cc2)s1	290171007	MRLHAUJXVDQBSL-LBPRGKRZSA-N	304.463	3.407	10	20	DGCD	
COc1ccc(CSc2ncc(-c3ccccc3)n2C)nn1	800831072	AVVARBSFQWSANX-UHFFFAOYSA-N	312.398	3.178	10	20	DGCD	
COc1cccc(CNCc2ccc(N(C)C)cc2C)c1F	800238380	DBMYMYREYCYLBE-UHFFFAOYSA-N	302.393	3.499	10	20	DGCD	
CCCN(Cc1cn(C)nc1C(F)F)c1ccc(CN)cc1	291098157	ZICGINZIEGHSKJ-UHFFFAOYSA-N	308.376	3.233	10	20	DGCD	
COCCN(Cc1cccnc1)Cc1cc(Cl)cc(F)c1O	809741656	RLHDKYNLTFYMEE-UHFFFAOYSA-N	324.783	3.228	10	20	DGCD	
CCn1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)cn1	815593518	OVBQKZPFVMWJQZ-JTQLQIEISA-N	313.323	3.478	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H]2CC(C)(C)OC2=O)cc1	814180672	QSUTVSLHHJAZQI-INIZCTEOSA-N	304.434	3.059	10	20	DGCD	
CON1CCC(N[C@H](C)c2cccc(C(F)(F)F)c2O)CC1	817588133	LZPGKUHNOZXGQO-SNVBAGLBSA-N	318.339	3.087	10	20	DGCD	
CCOc1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)c1	811518811	PEXSFYIWAVMKQO-MSOLQXFVSA-N	317.429	3.324	10	20	DGCD	
CCC[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1	823213969	UFBZFXOWQBMYCF-MRXNPFEDSA-N	310.413	3.103	10	20	DGCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCc2ccccc21	588403641	SWQHMXLBPLIHMO-MRDWYFFCSA-N	309.365	3.257	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccccc1CN)c1ccc(N(C)C)cc1	904643656	LAGCQUVVFRIKOV-CYBMUJFWSA-N	312.417	3.094	10	20	DGCD	
C[C@H](C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)(C)C	734390267	QEOXETLSZYURBQ-HUUCEWRRSA-N	318.461	3.383	10	20	DGCD	
CCN(CC)c1ccc(CNC(C)(C)c2cnn(C)c2)cc1F	742374458	YLZHSCNRPAWEDC-UHFFFAOYSA-N	318.440	3.430	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2c(F)ccc(O)c2F)c1	845971001	GNNOILGHJFHOMJ-SECBINFHSA-N	309.312	3.235	10	20	DGCD	
CCCN(CC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1	746509930	XOROYYPCROPQFU-UHFFFAOYSA-N	317.355	3.237	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cccc(OC)c2O)n[nH]1	846167008	QRPGHNGCGDBEKQ-QJPTWQEYSA-N	318.421	3.444	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc(Cl)c(F)c2)cc1	841041166	BCTXTWDRQNBJFZ-QGZVFWFLSA-N	321.827	3.335	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O	842885353	NWLQGBUAEZTDAE-GXFFZTMASA-N	310.825	3.096	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N)cc2)C12CCC2	841298169	MZMJLFLQKAETNH-GJZGRUSLSA-N	303.406	3.080	10	20	DGCD	
CC[C@](C)(NC(=O)Nc1ccc(N)cc1)c1nc(C)cs1	841298627	CJNAACJYOACAQO-HNNXBMFYSA-N	304.419	3.481	10	20	DGCD	
CCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)Cc1ccsc1	843499354	NLTKAIHCRFIGDL-ZDUSSCGKSA-N	302.443	3.353	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)COC(F)(F)F)cc1	929536983	HCVGNOVQVWQIFD-UHFFFAOYSA-N	318.339	3.028	10	20	DGCD	
COc1cc(CN[C@@H](C)c2cc(OC)ccc2O)cc(OC)c1	756420103	BGPCQXKBADZBPM-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1F	858146353	VODFWDHHOFEWMN-CSMYWGQOSA-N	324.415	3.324	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)CC3=CCCOC3)c2c1	853561443	CZQCHDVRRAINQS-UHFFFAOYSA-N	313.397	3.333	10	20	DGCD	
OC[C@H]1C[C@H](N[C@@H](CCc2ccccc2)c2ccccc2O)C1	927148991	WLHZELPKWCVODX-LNLFQRSKSA-N	311.425	3.427	10	20	DGCD	
Cc1noc(C)c1C[C@H](C)NCc1cc(F)c(N(C)C)cc1F	858140797	GRPZOJCUQYFQMJ-JTQLQIEISA-N	323.387	3.356	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)Oc1ccccc1	756707394	YLIDUOAFQFJXCD-STQMWFEESA-N	316.357	3.419	10	20	DGCD	
COCc1csc(CN[C@@H](C)c2cc(OC)ccc2O)c1	850533130	RBVOANRZXIOIIF-NSHDSACASA-N	307.415	3.460	10	20	DGCD	
COc1cc(CNCC2=CCCOC2)c(O)c(C(C)(C)C)c1	850300042	CSUQUCVTNLSRSM-UHFFFAOYSA-N	305.418	3.135	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1	756422733	NLWKZURQECCJSI-XHSDSOJGSA-N	320.477	3.419	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cc(F)cc(F)c1O	850500816	GOUKJJDWISMHAW-PSDDUVHUSA-N	317.401	3.011	10	20	DGCD	
CN1CCCc2cc(CNCc3ccncc3Cl)ccc21	858116886	RUJDNNZWAOYDCU-UHFFFAOYSA-N	301.821	3.407	10	20	DGCD	
CN1CCN(c2ccc(CN3CC[C@@H](C(C)(C)C)C3)cc2)CC1	753592657	ZMHFOYPUUBPPTC-GOSISDBHSA-N	315.505	3.306	10	20	DGCD	
CC[C@H](OC)C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863165184	MOJISLXNMQDGSX-KRWDZBQOSA-N	300.402	3.135	10	20	DGCD	
CCc1nc(CCNC(=O)N[C@H](C)c2ccccc2O)cs1	868196429	JOZRQGDMFDKVKH-LLVKDONJSA-N	319.430	3.014	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@H]4C[C@H]4C3)c2C)cc1	862550369	JZUVHMWESIPTBO-GASCZTMLSA-N	310.397	3.195	10	20	DGCD	
C[C@@H](NC(=O)NCC(C)(C)c1cccnc1)c1ccccc1O	868710331	KKGOHJKJPNQBNI-CYBMUJFWSA-N	313.401	3.125	10	20	DGCD	
CCOc1cccc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c1O	766090471	TUOLFRFSGWPTNK-HZPDHXFCSA-N	307.434	3.473	10	20	DGCD	
CC[C@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1	772454727	JTOLPLBUTVUGPA-OCCSQVGLSA-N	307.413	3.364	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCN(Cc2ccccc2)CC1	771928035	LEFLTLDGMDRSHD-UHFFFAOYSA-N	316.832	3.363	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@H]2C2CCCCC2)c1O	775049117	SNWNIHATRXKQIL-UONOGXRCSA-N	320.389	3.367	10	20	DGCD	
CN(C)c1ccc(CNc2nnc(CC(C)(C)C)o2)cc1F	777515252	JDCWPMKWCJXMEZ-UHFFFAOYSA-N	306.385	3.475	10	20	DGCD	
COc1cccc(C2=CCN(C(=O)c3cc(O)cs3)C2)c1	780737735	BEQNIRFFQAWYSK-UHFFFAOYSA-N	301.367	3.002	10	20	DGCD	
CCOCc1nc(C)cc(NCCCSc2nccs2)n1	892515497	TYHXWJLTSZRWOP-UHFFFAOYSA-N	324.475	3.372	10	20	DGCD	
COc1cc(C)cc(CNCc2csc([C@H](C)OC)n2)c1O	894319786	FOLOZELDPKXFTK-NSHDSACASA-N	322.430	3.163	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2-n2cncn2)cc1F	780779389	ASPGUSLXUNBKDG-UHFFFAOYSA-N	312.348	3.051	10	20	DGCD	
COc1cccc(CNC(=O)C(F)(F)c2ccc(C)cc2)c1O	780468797	PXNMZGHNQFLBPS-UHFFFAOYSA-N	321.323	3.117	10	20	DGCD	
COc1ccc(N(C)Cc2c(Cl)c(C)nn2C)cc1OC	893573629	OYLIZWRFJSJJOJ-UHFFFAOYSA-N	309.797	3.036	10	20	DGCD	
CCOc1cccc(CN(CCOC)[C@@H]2CC[C@H](C)C2)c1O	792192314	HQBYSARVRFZAAN-GOEBONIOSA-N	307.434	3.428	10	20	DGCD	
CC(C)CN1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1204327792	IQJMHKLVUYPGBX-UHFFFAOYSA-N	301.478	3.060	10	20	DGCD	
CC(C)(C)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	794706333	OVZRDCCQHSSANP-XJKSGUPXSA-N	305.418	3.076	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCCc1nccs1	790966809	NPQCXMPQURWETK-UHFFFAOYSA-N	300.786	3.364	10	20	DGCD	
C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@@H](C2CC2)O1	794661321	ZCRXWSVQQYBNAG-YJYMSZOUSA-N	301.430	3.270	10	20	DGCD	
C[C@@H]1CCCN(C(=O)CCN[C@H](C)c2ccc(N(C)C)cc2)C1	1319849242	PRCPFQKJBCLYMK-HZPDHXFCSA-N	317.477	3.052	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@@H]21	1319730169	WOQUDHPMOHXMCT-QUCCMNQESA-N	313.489	3.203	10	20	DGCD	
COc1cccc([C@H](C)NCCCc2nc(C)cs2)c1O	1328728550	UBPJSIIJRZQXAK-LBPRGKRZSA-N	306.431	3.449	10	20	DGCD	
COc1cccc(CNCc2ccccc2N2CCCC2)c1O	1329770681	ITANZOGXLSBQES-UHFFFAOYSA-N	312.413	3.291	10	20	DGCD	
CCN(C)C[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1341569511	PUJKOSAJJVWIOA-GOSISDBHSA-N	301.478	3.060	10	20	DGCD	
Cc1cc(C)cc([C@@H](NCc2cc(F)c(F)cc2O)C(=O)O)c1	1607624624	CZTPGVJYWSJCTL-MRXNPFEDSA-N	321.323	3.203	10	20	DGCD	
CCCOc1ccc(CNC2CC3(C2)C[C@H]3C(=O)O)cc1C	1776820013	DYDYTWNZTXQHQF-CSLYMUCUSA-N	303.402	3.127	10	20	DGCD	
CCN1CCCc2cc(/C=C/c3cnc(C(=O)O)cn3)ccc21	1776875410	YQHTXWXQQHUIEO-FNORWQNLSA-N	309.369	3.118	10	20	DGCD	
CCC(CC)(C(=O)NCc1ccc(O)c(O)c1)c1ccccc1	158961627	ZLNPVDZIJRXSPY-UHFFFAOYSA-N	313.397	3.472	10	20	DGCD	
COc1cc(O)c(CN2CCc3cccc(F)c3C2)cc1OC	160528727	IOBGZQPBLAAIEE-UHFFFAOYSA-N	317.360	3.107	10	20	DGCD	
Oc1ccc(CCNc2ccnc(Cc3ccccc3)n2)cc1O	167014893	AJGVTGVYAFZKDY-UHFFFAOYSA-N	321.380	3.133	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1Cc2ccccc2O1	175867501	CVZJHFVRFAOOJA-GOSISDBHSA-N	311.381	3.135	10	20	DGCD	
CCC(=CC(=O)N1CCN(c2ccc(OC)cc2)CC1)CC	177508682	SHWDVEZZPRHZKF-UHFFFAOYSA-N	302.418	3.090	10	20	DGCD	
Oc1cc2c(cc1CN(Cc1ccccc1)CC(F)F)OCO2	173500864	USUHZQSJRIMTJY-UHFFFAOYSA-N	321.323	3.388	10	20	DGCD	
CCOC(=O)N[C@H](CN[C@@H](C)c1ccccc1O)CC(C)C	183401314	FXDTXTDKCHUVSC-KBPBESRZSA-N	308.422	3.204	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCSC1)c1ccc2ccccc2c1O	185638816	ZVLJLEAKPVHWOJ-SJCJKPOMSA-N	303.427	3.064	10	20	DGCD	
CSc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1	180600342	CJMYCRVSOIOFRH-SOFGYWHQSA-N	301.367	3.472	10	20	DGCD	
CC[C@@H](NC[C@H](O)COc1cccc(C)c1)c1ccccc1O	183316468	IHPWEAXZIGVBPR-MAUKXSAKSA-N	315.413	3.181	10	20	DGCD	
COCCOc1cccc(NCc2ccc(N(C)C)cc2)c1	79724575	UYPOXYLZZIDCJS-UHFFFAOYSA-N	300.402	3.390	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCCCCO)c2C)c1	193263781	FWQAYMROMGNKPC-UHFFFAOYSA-N	314.429	3.295	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1ccc(N(C)C)cc1	227689286	SQTGKCDANSEYRX-UONOGXRCSA-N	321.465	3.316	10	20	DGCD	
CC[C@H](C(=O)OC)N(C)Cc1ccc(N2CCCCC2)cc1	194565162	DMXOVZRWOTUMLY-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
CCCN(Cc1ccc(N2CCOCC2)c(F)c1)CC(F)F	92737491	UDZUMSOISSCHKA-UHFFFAOYSA-N	316.367	3.139	10	20	DGCD	
CCOc1cccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O	91960314	QQROXWRHXDPXKM-GDBMZVCRSA-N	315.417	3.071	10	20	DGCD	
Cc1ccc(C[C@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1	237827299	RFBFSRYOHRQHLL-LJQANCHMSA-N	308.425	3.353	10	20	DGCD	
COc1ccc(O)c(CNc2ccc3c(c2)NC(=O)CS3)c1	237364153	DCOGHVMXTFJOEB-UHFFFAOYSA-N	316.382	3.057	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccccc2OCC(F)(F)F)cc1	238120189	AVNRCANEGHXHJT-UHFFFAOYSA-N	324.302	3.391	10	20	DGCD	
Cc1c(CNC(=O)c2cnn(C(C)C)c2)n(C)c2ccccc12	348701915	RYSZDAIYEXAMBE-UHFFFAOYSA-N	310.401	3.194	10	20	DGCD	
C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Cc1ccc(N)cc1	262626942	LKHKAXYQBQOUTG-YJBOKZPZSA-N	308.425	3.291	10	20	DGCD	
C[C@H](NCc1nc(C2CC2)cs1)c1cc([N+](=O)[O-])ccc1O	273520632	UGOVYPGMDUVHMY-VIFPVBQESA-N	319.386	3.485	10	20	DGCD	
CC[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1cccc(Cl)c1O	287117194	QWHJSYSELLZPCS-SMDDNHRTSA-N	310.825	3.097	10	20	DGCD	
COCC(C)(C)CCCN[C@H](C)c1cc(C(=O)OC)ccc1O	287257470	ZXQICRBHBMZOAE-CYBMUJFWSA-N	323.433	3.282	10	20	DGCD	
COc1cccc(CN(CCN(C)C)Cc2cccs2)c1O	289481670	QPWKTALRRBKHKU-UHFFFAOYSA-N	320.458	3.026	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)[C@@H]2OCCc3sccc32)c1	292856274	UTHNVAJBLXTUGX-DIFFPNOSSA-N	319.426	3.254	10	20	DGCD	
CC1CCN(CCNCc2cc(Cl)c(F)cc2O)CC1	816535246	JWBWUASYGHKNFQ-UHFFFAOYSA-N	300.805	3.006	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc3cnn(C)c3c2)c1	812736809	CXBUOVHJSGTNGM-LBPRGKRZSA-N	311.385	3.138	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc(N(C)C)nc2)cc1Cl	825103038	VHZNNQQPHLOKTA-UHFFFAOYSA-N	305.809	3.105	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)ccc2F)c1	728978436	HMGJCKAQMQLGNW-NSHDSACASA-N	303.333	3.339	10	20	DGCD	
CCOCc1cc(CN[C@H]2C[C@@H](OC(C)C)C2)ccc1OC	839147300	HLDHSSQUOSEILX-CALCHBBNSA-N	307.434	3.277	10	20	DGCD	
C[C@H](CN[C@H]1CCc2cccc(O)c21)N1CCc2ccccc2C1	834538696	WBKXQNZRNULWBF-BEFAXECRSA-N	322.452	3.416	10	20	DGCD	
CC1(C)CC(NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	839145250	OUBDWCVXGVBKQA-UHFFFAOYSA-N	310.388	3.080	10	20	DGCD	
CCOc1nc(N[C@@H](C)c2cc(OC)ccc2O)ncc1Cl	845485638	OJMMGJPJVYTZGE-VIFPVBQESA-N	323.780	3.416	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1cc2cnccc2o1	844274630	FGQNMVUUKUCNKJ-NTEUORMPSA-N	313.382	3.284	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H](C)N	843484229	ITCGKVIVVLGYLR-CABCVRRESA-N	312.413	3.219	10	20	DGCD	
COc1ccc(N(Cc2cc(C(C)=O)no2)CC2CC2)cc1	846959444	PZQAICZFBDXMPZ-UHFFFAOYSA-N	300.358	3.302	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](CCO)c2ccccc2)c1O	846146943	SYKQNQUHPWQDLP-GDBMZVCRSA-N	315.413	3.218	10	20	DGCD	
COc1cc(Br)cc(CN(C)C(C)(C)C)c1O	843431098	MCQRMWLHHNSIPW-UHFFFAOYSA-N	302.212	3.394	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CO[C@H](C)C2)c(C)n1-c1ccc(F)cc1	844105226	IKNNUJSFSRWXNW-IUODEOHRSA-N	316.376	3.140	10	20	DGCD	
COc1ccc(O)c(CN2CCOc3cc(F)c(F)cc32)c1	846123337	PNLZCIMRYMAFJC-UHFFFAOYSA-N	307.296	3.078	10	20	DGCD	
Nc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1	841302370	VCPGVNPDZZSJPS-GOSISDBHSA-N	324.428	3.227	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1	841298893	SVHMYNFBAGKNAF-QGZVFWFLSA-N	310.401	3.377	10	20	DGCD	
C[C@@H](CCc1ccsc1)NC[C@H](N)c1ccc(N(C)C)cc1	841046138	WWMNZHAFQCMIFE-KSSFIOAISA-N	317.502	3.425	10	20	DGCD	
COCCOCCCCN[C@H](C)c1cc2c(cc1O)CCCC2	756518451	WLGQQXTZQXCNLL-OAHLLOKOSA-N	321.461	3.365	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1cccc(F)c1)c1cc(F)cc(F)c1O	756477278	XDSFEVWLQLDOCG-RFAUZJTJSA-N	311.303	3.194	10	20	DGCD	
COc1cccc(O)c1CNCc1nc2c(s1)CCCC2	922700662	QCCBOGTTXRGRIO-UHFFFAOYSA-N	304.415	3.026	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1nc(C(C)(C)C)no1	920402915	BZNCKWVWPNAEFV-UHFFFAOYSA-N	301.390	3.329	10	20	DGCD	
CCSC1(CNC(=O)NCc2ccc(N(C)C)cc2C)CC1	852629449	UZZDFLVIDZXFEP-UHFFFAOYSA-N	321.490	3.146	10	20	DGCD	
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccc(OC)cc1	751530581	OUXHKOHIVSNJOU-HNNXBMFYSA-N	315.369	3.296	10	20	DGCD	
COC(=O)CC1CCC(NCc2ccc(N(C)C)c(F)c2)CC1	858358727	REUZLTHPWJZNCQ-UHFFFAOYSA-N	322.424	3.103	10	20	DGCD	
Cc1ccc(C(=O)CCC(=O)NCc2cc(C)ccc2O)cc1	862761094	DEJDCFWAFMYMKF-UHFFFAOYSA-N	311.381	3.288	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2cc3ccccc3o2)c1	769530473	CFLVJIQPGKWYLT-UHFFFAOYSA-N	311.337	3.006	10	20	DGCD	
CC[C@@H](C[C@H](C)CO)NC1CCN(c2ccc(OC)cc2)CC1	766360890	OVVCGHOXEUUICE-HOTGVXAUSA-N	320.477	3.051	10	20	DGCD	
CC[C@@H](C)N(OC)C(=O)c1cc(C)n(-c2ccccn2)c1C	768901411	YTNQRPGCVKNWLL-GFCCVEGCSA-N	301.390	3.291	10	20	DGCD	
Oc1cc2c(cc1CN(C1CCCCC1)C1CC1)[C@@H](O)CO2	768439229	JBLKKOHSCPDWGZ-KRWDZBQOSA-N	303.402	3.115	10	20	DGCD	
CCS(=O)(=O)Nc1ccc(NCc2c(C)cccc2O)cc1	876843135	PEACICYXOBCTJT-UHFFFAOYSA-N	320.414	3.074	10	20	DGCD	
COc1ccc(O)c(CN2C[C@H](C)Oc3c(F)cccc32)c1	776009923	YZLCAKSBSBTQOY-NSHDSACASA-N	303.333	3.327	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1	773016268	AQJZAEZRZUDQSY-KBXCAEBGSA-N	324.424	3.496	10	20	DGCD	
CC[C@@H](C)[C@H](CN(C)Cc1ccc(N2CCOCC2)cc1)OC	876551286	OLWFFJGUMGYYLU-APWZRJJASA-N	320.477	3.016	10	20	DGCD	
CCN(Cc1ccc(N(CC)CC)cc1)C[C@@H](O)C(F)(F)F	779193418	QTEDGFMSAIPLAM-OAHLLOKOSA-N	318.383	3.278	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)c1O	774942250	JQIYAZAPKKPDJC-NTZNESFSSA-N	308.378	3.223	10	20	DGCD	
C[C@H](N[C@H]1CCc2ccccc2NC1=O)c1c(O)cccc1F	886632852	HRXXXQSEOOIPJQ-NHYWBVRUSA-N	314.360	3.135	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H](CCO)C(F)(F)F)cc1	886801214	JTQSAMPCJRLTSB-FZMZJTMJSA-N	304.356	3.107	10	20	DGCD	
CSC[C@@H](O)CN(C)c1ccc(OCc2ccccc2)cc1	781964066	OAEYDJDVPATGAJ-KRWDZBQOSA-N	317.454	3.426	10	20	DGCD	
c1cc(-c2n[nH]cc2CNCc2ccc3c(c2)CCO3)cs1	780521847	XPGCLYIUXCPQQA-UHFFFAOYSA-N	311.410	3.363	10	20	DGCD	
COc1cccc(NCc2ccc(OC)c(OC)c2O)c1C	895585365	QOQHUVVDGFQAQR-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](c2ccncc2)C2CC2)c1	899000624	TWQCJXSTRZYLOP-KRWDZBQOSA-N	311.385	3.046	10	20	DGCD	
CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(O)cs1	798119410	YVIXQAAIJMZRGC-GFCCVEGCSA-N	305.403	3.038	10	20	DGCD	
OC[C@@H](CNCc1c(O)ccc(Cl)c1F)Cc1ccccc1	790955219	CQVNJFCFGMMMME-CYBMUJFWSA-N	323.795	3.126	10	20	DGCD	
OCC[C@H](NCc1c(O)ccc(Cl)c1F)c1cccs1	790971129	QDMGAVXAONZJNL-NSHDSACASA-N	315.797	3.460	10	20	DGCD	
C[C@H](NCc1cc(Br)cc(F)c1O)C(F)(F)F	715812072	IJWJQDACCBAIPJ-YFKPBYRVSA-N	316.092	3.334	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)CCCO	1324464828	DCBZQUIGQCGYPP-LBPRGKRZSA-N	320.458	3.294	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1	1335452195	OVCBRNVJOGOFHF-PKOBYXMFSA-N	323.440	3.479	10	20	DGCD	
Cc1ccc(Cl)cc1CNC(=O)NCc1ccccc1O	1340422967	SQDLLRLWFXOOLR-UHFFFAOYSA-N	304.777	3.353	10	20	DGCD	
C[C@H](O)[C@H](C)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	1345639433	SXSAHHDDASCKIL-RDBSUJKOSA-N	310.869	3.435	10	20	DGCD	
Cc1cc(C(=O)CSCC(=O)O)c(C)n1-c1cccc(F)c1	1605102401	ZQROFFAHBHOYJI-UHFFFAOYSA-N	321.373	3.234	10	20	DGCD	
C[C@H](N[C@@H]1CC=C(C(=O)O)C1)c1cc2c(cc1O)CCCC2	1604329405	JYLNOBUGRXTSFO-XHDPSFHLSA-N	301.386	3.095	10	20	DGCD	
Cc1cccc(CCCN[C@@H](C)c2cc(C(=O)O)ccc2O)n1	1600529431	ILVMGVDTLIBLAV-ZDUSSCGKSA-N	314.385	3.077	10	20	DGCD	
Cc1cc(C)cc(NC(=S)NNc2nc(C)cc(C)n2)c1	7521998	YCSYCPPBIBYHHH-UHFFFAOYSA-N	301.419	3.024	10	20	DGCD	
COc1cccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1O	179428853	IAVNIUDWGNZZDT-QGZVFWFLSA-N	317.360	3.113	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCSc2ccccc21	105364283	LXMXEBBQHCSIRR-AATRIKPKSA-N	300.358	3.373	10	20	DGCD	
COc1cc(N(C)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC	301869600	CKRXMELMGOCPLR-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C)ccc1O	136493167	DFLKFNGFZGFMDP-UHFFFAOYSA-N	311.790	3.463	10	20	DGCD	
Oc1cccc(Cl)c1CNc1ccc(-n2ccnn2)cc1	126831600	DUHGJSMBGHWDLF-UHFFFAOYSA-N	300.749	3.238	10	20	DGCD	
Cc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc(C)n1	301121989	NXORGUABKMENBP-AWEZNQCLSA-N	312.417	3.103	10	20	DGCD	
O=C(NCCCSc1nccs1)c1coc(C2CCC2)n1	192565012	INTAGFFBECHDHY-UHFFFAOYSA-N	323.443	3.311	10	20	DGCD	
COC[C@H](C)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	195698512	FYOZKRGDWLHWNF-CQSZACIVSA-N	314.429	3.415	10	20	DGCD	
COCCC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	269513409	PHSOSEZDQUONBX-UHFFFAOYSA-N	316.445	3.060	10	20	DGCD	
CO[C@@H](C)c1nc(CNCc2ccc3c(c2)CCO3)cs1	267648780	TWTWYBWLOAHVQL-NSHDSACASA-N	304.415	3.075	10	20	DGCD	
COC[C@H](NCc1c(C)c2ccccc2n1C)C1CCOCC1	358998730	YHKGSSXDLVMAMU-KRWDZBQOSA-N	316.445	3.018	10	20	DGCD	
CCOC(=O)N1CCC(N[C@@H](C)c2ccc(C)c(C)c2O)CC1	273406984	OQDCZWJWUZRCOP-AWEZNQCLSA-N	320.433	3.281	10	20	DGCD	
CCC(CC)c1cc(CNC(=O)c2c(F)ccc(O)c2O)on1	276524768	DDPLBUZNYPCBDH-UHFFFAOYSA-N	322.336	3.059	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCC(O)CC1	279456056	GJEMCIQHPLHKTH-UHFFFAOYSA-N	318.461	3.041	10	20	DGCD	
COC1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCC1	273065007	YGMPWJRKUYOOLN-UHFFFAOYSA-N	316.445	3.108	10	20	DGCD	
CC[C@@H]1C[C@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	272912257	LDBWPWMYPRJGEL-SJLPKXTDSA-N	318.461	3.306	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1F	373227182	JHVMTPZSOZXKED-HNNXBMFYSA-N	316.424	3.005	10	20	DGCD	
CC[C@](C)(OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	281279846	XKATUXFVJHPEAJ-IBGZPJMESA-N	318.461	3.450	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c(O)c1	285021600	KAEVDTDHNOWZMU-AEFFLSMTSA-N	305.418	3.324	10	20	DGCD	
Cc1noc([C@@H]2CCCN2Cc2c(O)ccc(Cl)c2F)n1	809721673	XGOJYCCMFPWHOQ-NSHDSACASA-N	311.744	3.213	10	20	DGCD	
CN1C(=O)CCN(Cc2cccc(Cl)c2O)c2ccccc21	809786128	QNWRQSGIJZDOOL-UHFFFAOYSA-N	316.788	3.419	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)C3CC3)C2)cc1	819582099	HQLDJOURHGBCPZ-LSDHHAIUSA-N	316.445	3.074	10	20	DGCD	
COCC(C)(C)CN[C@@H](C)c1cc(Br)ccc1O	813882519	AKQNZJRVQUZLTD-JTQLQIEISA-N	316.239	3.478	10	20	DGCD	
Cc1cc(O)c(CN2C[C@@H](C)NC(=O)c3ccccc32)cc1C	811509226	NRNWWGRZNWPSJQ-CQSZACIVSA-N	310.397	3.148	10	20	DGCD	
Oc1c(CNC[C@]2(O)CCc3ccccc32)ccc2ccccc12	816558193	QBZHFSCSXWMZJV-OAQYLSRUSA-N	319.404	3.469	10	20	DGCD	
CCOCc1cc(CNCCC[C@@H]2CCOC2)ccc1OC	825133527	IUXGDRGZPCNREP-OAHLLOKOSA-N	307.434	3.138	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1	903068983	AOPMILBQPOIEMA-CQSZACIVSA-N	309.417	3.073	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@H](C(=O)O)c3ccccc32)cc1C	905008792	IZMAGBPSZVEUCA-DLBZAZTESA-N	311.381	3.406	10	20	DGCD	
CC(C)C(C)(C)NC(=O)NCc1ccc2c(c1)CCCN2C	734942145	JUWLUWXHIRSXTE-UHFFFAOYSA-N	303.450	3.303	10	20	DGCD	
O=C(NCc1ccc(Br)s1)c1cc(O)cs1	731868839	ZJHNNHNMMFVOCR-UHFFFAOYSA-N	318.217	3.208	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](CC2CCCC2)C(=O)O)cc1	900084177	QBRRABPERRVZTQ-INIZCTEOSA-N	304.434	3.123	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CCCCO2)cc1	837320035	CIFQUDMZOLWTBY-LJQANCHMSA-N	318.461	3.450	10	20	DGCD	
Cc1cc(C(=O)NCc2ccsc2)c(C)n1-c1ccccn1	915288991	ANJYNGGNFHVPQM-UHFFFAOYSA-N	311.410	3.481	10	20	DGCD	
C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	916587451	IAQIONZDMKNOTK-HOTGVXAUSA-N	315.461	3.474	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@H](OC2CCC2)C1	848498408	SCFCPINAWCLTAD-INIZCTEOSA-N	312.413	3.474	10	20	DGCD	
Cn1ccnc1[C@H]1N(Cc2c(O)ccc3ccncc23)CC1(C)C	840110655	SFNIIKAPOBDUEE-QGZVFWFLSA-N	322.412	3.257	10	20	DGCD	
CCN(CCC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1	748323734	CWQXHHOAPMKXEK-UHFFFAOYSA-N	317.355	3.237	10	20	DGCD	
CC[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccccc1	841645645	DYHXYCHQFBCRIW-MRXNPFEDSA-N	311.429	3.304	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccnc(F)c1	748727849	MLZYDHOODMFCCA-UHFFFAOYSA-N	313.376	3.141	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)C[C@H]1CCOC1	840893521	KHSBBZAMPSWITN-YESZJQIVSA-N	304.478	3.397	10	20	DGCD	
CCc1cccc(CN2CCC[C@@](OC)(C(F)(F)F)C2)c1O	848905831	PAIYCISZZHCFID-HNNXBMFYSA-N	317.351	3.498	10	20	DGCD	
CCC(C)(C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1	1019314588	UJVCWWWXXDEAKS-INIZCTEOSA-N	318.461	3.130	10	20	DGCD	
CCC[C@@H](O)CN[C@@H](C)c1cc(Br)c(F)cc1O	756578002	UQHLDGIBLCRITA-DTWKUNHWSA-N	320.202	3.105	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@H](C)c2ncc(C)s2)c1	858359866	JTYROXIVQZMTPF-NSHDSACASA-N	319.430	3.068	10	20	DGCD	
CCN(CC)CCOc1ccccc1NCc1ncc(C)[nH]1	850204749	YLQGHECMCBXKEI-UHFFFAOYSA-N	302.422	3.051	10	20	DGCD	
CCc1nc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)cs1	858210893	GTTMFRCRPDQDBS-LLVKDONJSA-N	319.430	3.280	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCSC2)cc1	761856044	REZZKDVJQNXOPR-OAHLLOKOSA-N	306.475	3.244	10	20	DGCD	
CCOC(=O)CCN(Cc1cc2c(cc1O)CCCC2)C1CC1	768441322	YJTGURYHQVWLAB-UHFFFAOYSA-N	317.429	3.189	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@@H]2c2cccnc2)cc1OC	768441543	JKWHIROKAUQZAI-OAHLLOKOSA-N	314.385	3.142	10	20	DGCD	
O=C([C@@H]1CC12CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1	760124797	MAMXTNQPRZUWRZ-HOTGVXAUSA-N	315.413	3.090	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CCOCC(F)(F)F	766270016	NUYHMOSONOZQQM-UHFFFAOYSA-N	303.324	3.417	10	20	DGCD	
COc1ccc(C[C@H](C)CNC(=O)c2cc(O)cs2)cc1	760855631	FQPLHLRGLCRWAU-NSHDSACASA-N	305.399	3.071	10	20	DGCD	
CCOc1cccc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c1O	766090468	TUOLFRFSGWPTNK-CVEARBPZSA-N	307.434	3.473	10	20	DGCD	
Cc1ccc([C@H](C)NCCn2ccc(C(F)(F)F)n2)c(O)c1	872108808	DTDPDGJTASNEPG-NSHDSACASA-N	313.323	3.267	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)cc1	773753312	GBFCWPXENGMVAY-QGZVFWFLSA-N	318.461	3.449	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)CC1CC1	770999804	INVCJVMWQHFVFQ-CQSZACIVSA-N	318.442	3.046	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCCC[C@H]1C	773744865	FLUGWYMZKOMURS-NFAWXSAZSA-N	305.418	3.361	10	20	DGCD	
Cc1nc(NC2CC2)sc1C(=O)N[C@H](C)c1ccccc1O	881440629	IRUVOOPZDHGNKH-SECBINFHSA-N	317.414	3.222	10	20	DGCD	
C[C@@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1	783672655	IVTWMQOVMOFSST-NSHDSACASA-N	306.358	3.040	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](O)C1CCCCC1	783666095	GQXPMBWNYXIDJT-QGZVFWFLSA-N	305.418	3.072	10	20	DGCD	
CCC(O)(CC)C(C)(C)CNCc1cc(C)cc(OC)c1O	895235024	HVXCMSSMJYGJNM-UHFFFAOYSA-N	309.450	3.376	10	20	DGCD	
COc1ccc(CN2CC3(CCC3)[C@@H]2C(C)C)c(O)c1OC	894583772	AWBTYZJXVMIREQ-KRWDZBQOSA-N	305.418	3.420	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](CO)CC2CCCC2)c1	798938082	RKEGAPBQRUQVFW-UKRRQHHQSA-N	307.434	3.240	10	20	DGCD	
COc1ccc(CNC(=O)NCC2(CC(C)C)CC2)c(O)c1	792993016	RDJITXZELDECHM-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)c1cc(C)n(C)c1C	796330044	ZPLHZIXTOOUDFA-UHFFFAOYSA-N	312.413	3.286	10	20	DGCD	
COc1ccc(CNC(=O)Nc2c(C)cccc2C)c(O)c1	797607963	VVSQFIFDFGNIHW-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
COc1ccc(CNCCCNC(=O)C[C@H](C)C(C)C)cc1C	1155656582	MGBDWXPXFLAJKD-HNNXBMFYSA-N	320.477	3.282	10	20	DGCD	
COc1ccc(CNCCCNC(=O)CCCC(C)C)cc1C	1167241832	GRAQAOVLFHTDBI-UHFFFAOYSA-N	320.477	3.426	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(Oc2ccccc2)CC1	1326231018	KKIFUYHKEIRIHF-UHFFFAOYSA-N	324.424	3.323	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2C=CCCC2)cc1	1252860934	QXJRMHLGCZMISK-MRXNPFEDSA-N	301.434	3.441	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CC[C@H]2CCCC[C@H]2C1	1338750255	LOIKOGKSGROCIL-NEPJUHHUSA-N	318.446	3.266	10	20	DGCD	
CC[C@@H](NCc1ccc(N(C)C)cc1C)C1(C(=O)O)CCC1	1605100355	MMWACVIEHOIHHN-MRXNPFEDSA-N	304.434	3.184	10	20	DGCD	
Cc1ccc([C@@H](NCc2cc(F)c(F)cc2O)C(=O)O)cc1C	1607757089	OSLNWDLKVKMDEP-MRXNPFEDSA-N	321.323	3.203	10	20	DGCD	
COc1ccc([C@@H](C)NC(=O)Nc2ccc(N)cc2)c(OC)c1	1579236185	SSHYXTSYGHBNFI-LLVKDONJSA-N	315.373	3.169	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@H](C)CCO)c1C	154247014	ABJLNGALJPKHPJ-CYBMUJFWSA-N	314.429	3.151	10	20	DGCD	
Cc1c([C@@H](C)NCc2c(O)cccc2Br)cnn1C	706846372	GXBROQIKLVVPER-SECBINFHSA-N	324.222	3.047	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)CC(C)(C)O)c1	174524307	WLCUUNYIIDAXQQ-UHFFFAOYSA-N	314.429	3.245	10	20	DGCD	
Cc1cc(C(=O)NC(C)(C)CCO)c(C)n1-c1ccc(F)cc1	179429154	HPKNBPXHOOWWGW-UHFFFAOYSA-N	318.392	3.124	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(N(C)C)CCCC2)cc1	317328371	VQOWWZDDHGOYIG-UHFFFAOYSA-N	303.494	3.497	10	20	DGCD	
C[C@@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1cc(F)ccc1O	321682552	NFKCOWZDPQATNI-GFCCVEGCSA-N	322.424	3.219	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC2(CCC2)C1	133596564	ILPIGGZSHOIJFE-UHFFFAOYSA-N	301.434	3.147	10	20	DGCD	
CCOc1ccccc1NC[C@H](O)COCc1ccccc1F	322141277	WOGCVPTZUQUBDV-HNNXBMFYSA-N	319.376	3.214	10	20	DGCD	
Nc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1	237990387	DCDWYEXACMUDMK-KRWDZBQOSA-N	313.376	3.011	10	20	DGCD	
C[C@H]1CC=CC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	341345775	AYNOAXULRLYTSY-DZGCQCFKSA-N	300.402	3.080	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC(n2cc(Cl)cn2)CC1	367880213	SSSINGMSCNZJGO-UHFFFAOYSA-N	309.772	3.218	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1cc([N+](=O)[O-])ccc1O	273430975	VOJDUUFBEIPSOI-LBPRGKRZSA-N	315.373	3.217	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC2CCN(c3cc(C)n[nH]3)CC2)c1	275959117	VPHWGBDJPKMKEX-AWEZNQCLSA-N	314.433	3.052	10	20	DGCD	
C[C@H](NCC1([C@@H](C)CCO)CCC1)c1cc([N+](=O)[O-])ccc1O	273501957	QFLRMNIPQGJKTF-STQMWFEESA-N	322.405	3.140	10	20	DGCD	
C[C@@H](CO)CNCc1ccc(N(C)Cc2cccs2)cc1	296377256	KFCYYAWHDUHFHN-CQSZACIVSA-N	304.459	3.103	10	20	DGCD	
CSc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)n1	806784464	XBWOTMZCOFCBNN-UHFFFAOYSA-N	316.430	3.191	10	20	DGCD	
COc1ccc(N(C[C@H](O)c2cccnc2)[C@H](C)C2CC2)cc1	294951329	MOIKPYOLIOQISP-KUHUBIRLSA-N	312.413	3.429	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1	816666784	WFIYFMSUBICASA-HOTGVXAUSA-N	311.784	3.328	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2cc(C)ccc2O)s1	818357297	YLMVHZQZPDLTQN-WDEREUQCSA-N	320.414	3.356	10	20	DGCD	
C[C@H](NCCCNC1CC1)c1cc(Cl)c(Cl)cc1O	817984425	SLBKMVSDDADFRI-VIFPVBQESA-N	303.233	3.492	10	20	DGCD	
CC[C@H](NC[C@H]1CCCN1)c1cc(Cl)cc(Cl)c1O	817954227	WGPJMZHPZUWCJD-MFKMUULPSA-N	303.233	3.492	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cn1	817942625	QBMQQAVLEGNQBM-MLGOLLRUSA-N	318.852	3.152	10	20	DGCD	
COC[C@H](C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	812881976	IPUSUDXFZRNCPS-HOTGVXAUSA-N	320.477	3.408	10	20	DGCD	
CCCCn1nnnc1CN(c1ccc(OC)c(F)c1)C(C)C	725816162	JZHARKRSBCZDJB-UHFFFAOYSA-N	321.400	3.036	10	20	DGCD	
COc1ccc(N(C)Cc2cccc(NC(C)=O)c2)cc1OC	725797272	VIILWTCNZPCFQZ-UHFFFAOYSA-N	314.385	3.299	10	20	DGCD	
CSc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1	662586374	TVAIHVCXJCKYKT-UHFFFAOYSA-N	312.438	3.331	10	20	DGCD	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC1CC1	830679500	COTLTCGEPCGFKD-UHFFFAOYSA-N	314.433	3.229	10	20	DGCD	
CCO[C@H](C)c1noc(CN2CCCc3cc(OC)ccc32)n1	736620128	BDQGAKWCPZHRSY-GFCCVEGCSA-N	317.389	3.129	10	20	DGCD	
CN(CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1	743719485	CCODWFBVJAOMPP-UHFFFAOYSA-N	324.424	3.024	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1C[C@H]1c1cccc(F)c1F	743328811	VPUMGGMPOSLVIV-STQMWFEESA-N	303.308	3.090	10	20	DGCD	
CC(C)[C@@H](N)CNCc1ccc(OCc2ccccc2)cc1O	841030924	PCUMFOAYXNHLQR-SFHVURJKSA-N	314.429	3.044	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H]([C@H]3CCOC3)C2)c1	749799942	PZUYCYIFTWIBMD-KGLIPLIRSA-N	319.445	3.254	10	20	DGCD	
Cc1ccc(NC(=O)CN2CCCc3cc(CN)ccc32)cc1C	843351661	WDRJGWZNZHAVJW-UHFFFAOYSA-N	323.440	3.153	10	20	DGCD	
CCNC(=O)C1(CN[C@@H](C)c2ccc(Cl)cc2O)CCC1	841754095	YUYQXZZYSRLEEP-NSHDSACASA-N	310.825	3.003	10	20	DGCD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1	841299872	JGQQNBWTYIVYMT-AWEZNQCLSA-N	318.465	3.291	10	20	DGCD	
COC(=O)[C@H](C)c1cccc(NCc2cccc(OC)c2O)c1	840956902	AFTDXOIOHUTVJG-GFCCVEGCSA-N	315.369	3.289	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](CO)c2ccccc2C)c1O	846148890	UGNNKHWVRUXGLW-CZUORRHYSA-N	301.386	3.093	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC([C@H]2CCCNC2)CC1	849350843	YQRTXLQFKPYZDK-AWEZNQCLSA-N	308.853	3.257	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CF)cc1	854325010	VBSSYZILKIEOFN-UHFFFAOYSA-N	300.377	3.494	10	20	DGCD	
COc1cccc(CNC(=O)Cc2cccc(C)c2Cl)c1O	754207634	QFSBRHFXPCEBKJ-UHFFFAOYSA-N	319.788	3.222	10	20	DGCD	
CCCC(C)(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856209263	JIRJTDQQIIMUPD-UHFFFAOYSA-N	318.461	3.090	10	20	DGCD	
CCOc1ccc(CN(C)C[C@@H](C)c2nccs2)c(O)c1	753596181	VXNAZYOXQTXUCN-GFCCVEGCSA-N	306.431	3.483	10	20	DGCD	
Cc1cccc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1O	768531968	IXVDCWUBVQYUMM-HNNXBMFYSA-N	317.351	3.226	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](F)c1ccccc1	935948866	RQVJQRIGTODWRX-HNNXBMFYSA-N	308.349	3.205	10	20	DGCD	
CCCN(CC(=O)OCC)Cc1ccc(N2CCCCC2)cc1	768998450	MDYHVBNZUSSQQF-UHFFFAOYSA-N	318.461	3.452	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(Cc3ccccc3C)CC2)c1	768195064	KISJJTDJQAHDOZ-UHFFFAOYSA-N	310.441	3.327	10	20	DGCD	
NC[C@H]1CC[C@H](CNCc2ccc(N3CCCC3)cc2)CC1	1117956110	MYBVIGXNKZMVEQ-QAQDUYKDSA-N	301.478	3.142	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cccc(F)c1F	1117507681	SUOAZEOAUYHAHS-UHFFFAOYSA-N	309.659	3.407	10	20	DGCD	
CCN(CC)[C@H](CNCc1c(C)cccc1O)c1ccco1	876988286	BEDHUAYKUGCFHW-MRXNPFEDSA-N	302.418	3.466	10	20	DGCD	
CCN(C)c1ccc(CN2CCSC3(CCOCC3)C2)cc1	773857641	LGRNYWRDLQKKOU-UHFFFAOYSA-N	320.502	3.241	10	20	DGCD	
Cc1ccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C	773739446	CCMKFJJQZNOOSE-CQSZACIVSA-N	313.397	3.005	10	20	DGCD	
C[C@H](CCc1ccc(O)cc1)NCc1cc(F)cc(F)c1O	882978756	AUOLLVNJZSRPPV-LLVKDONJSA-N	307.340	3.487	10	20	DGCD	
CC(C)CC(=O)N1CCC(N[C@H](C)c2c(O)cccc2F)CC1	886516743	WZYPUSDYXMVYLO-CYBMUJFWSA-N	322.424	3.219	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@@H]1OC	775457005	FCZSKSBSFLXJCT-PBHICJAKSA-N	320.433	3.129	10	20	DGCD	
Cc1cccc([C@@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	773748295	JLUXKJWPLAJLHL-ZIAGYGMSSA-N	313.397	3.257	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)NCC2	1121941134	AHXXQEDFVKXNCX-UHFFFAOYSA-N	310.397	3.413	10	20	DGCD	
C[C@@H](NCCOC(F)(F)F)c1cc2c(cc1O)CCCC2	788978891	AWRBGGBLUYXENU-SNVBAGLBSA-N	303.324	3.458	10	20	DGCD	
COc1cc(C)cc(CNCc2cccc(N(C)C)c2)c1O	894237813	JIICLFAKSCLIPF-UHFFFAOYSA-N	300.402	3.065	10	20	DGCD	
CCc1onc(C)c1/C=C1\SC(=S)N(C2CCC2)C1=O	899261040	XXZQATWGJIABHX-GHXNOFRVSA-N	308.428	3.299	10	20	DGCD	
CCc1c[nH]c2ncnc(N[C@@H](C)c3cc(OC)ccc3O)c12	892331637	XZVUZAGUQUOBSQ-JTQLQIEISA-N	312.373	3.408	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](Cn2ccnc2)C(C)(C)C)c1O	894199496	LCSFSSVZVJQAMV-INIZCTEOSA-N	317.433	3.110	10	20	DGCD	
CSCCONC(=O)c1sccc1-n1c(C)ccc1C	794187537	JDIUVRSONVAQIQ-UHFFFAOYSA-N	310.444	3.180	10	20	DGCD	
C[C@H]1CC[C@@H](CCC(=O)Nc2c(Cl)ccc3nonc23)O1	1327168116	XWBPZWUOKYRDAV-IUCAKERBSA-N	309.753	3.162	10	20	DGCD	
CC[C@H](C[C@@H](C)CO)NCc1c(O)cccc1Br	1329139430	DYIKRMDAYWPEFZ-GHMZBOCLSA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)c1	1328731170	IOFXMLMYPSAFQP-UHFFFAOYSA-N	317.345	3.403	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CN(C2CC2)C[C@@H]1C	1320411748	SZMYEUKPIFDJQU-BFJAYTPKSA-N	300.446	3.321	10	20	DGCD	
CCCN1C[C@H](CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)CC1=O	1325489288	KBCQTKRJTXRLIC-ILXRZTDVSA-N	316.445	3.097	10	20	DGCD	
COc1ccc(CN[C@@H]2CCN(C(=O)CCC(C)C)C2)cc1C	1180887684	CTPSUJZNXOCSGW-QGZVFWFLSA-N	318.461	3.130	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](CC(C)C)NC)cc1	1577697481	KPYOYLQFBBONFF-SFHVURJKSA-N	319.493	3.125	10	20	DGCD	
CCCOc1ccc(CN[C@]2(C(=O)O)CC[C@H]3C[C@H]32)cc1C	1776819742	CRAJHUGUQBQLOK-HDMKZQKVSA-N	303.402	3.127	10	20	DGCD	
CC[C@H]1CCCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	33500545	HEEWRULQICNMSA-XOVSCCBYSA-N	304.346	3.462	10	20	DGCD	
CCCCOCCCNC(=O)NCc1ccc(N(C)C)cc1C	115659152	ZIADXSNSHDUVLS-UHFFFAOYSA-N	321.465	3.067	10	20	DGCD	
CC(C)[C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1	171967323	YGRGFTJIQUIIGM-CQSZACIVSA-N	306.475	3.148	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1csnn1	127774457	PLBDWWRPMOFRDE-UHFFFAOYSA-N	302.447	3.160	10	20	DGCD	
C[C@H](N[C@H](C)C[S@@](C)=O)c1ccc(N2CCCCCC2)cc1	184305504	XEGFMPQYYNKISI-ZMPRRUGASA-N	322.518	3.485	10	20	DGCD	
C[C@@H](Nc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1O	316290105	UGDPVLVPSUZSED-LLVKDONJSA-N	302.349	3.406	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)NCCC(C)C	76074111	PBBOXHAYCHEHCX-OAHLLOKOSA-N	306.450	3.155	10	20	DGCD	
COc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C	226648888	CXXDYVIEXCTJJS-HNNXBMFYSA-N	320.433	3.103	10	20	DGCD	
C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1O	193166141	XZFHHUCMEUASRR-IBGZPJMESA-N	311.381	3.335	10	20	DGCD	
CCOc1cccc(CN(C)Cc2ncc(CC)s2)c1O	93807574	AOIXMOUHQFGBHF-UHFFFAOYSA-N	306.431	3.442	10	20	DGCD	
Cc1cc(/C=C/C(=O)N2CCC(N)CC2)c(C)n1-c1ccccc1	237641502	KFGVZUZFAFKULE-CMDGGOBGSA-N	323.440	3.057	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(C(F)(F)F)nn2)cc1F	269921881	AUAHQOCHJGYINQ-UHFFFAOYSA-N	314.286	3.313	10	20	DGCD	
Cn1nccc1[C@H]1CCCN(Cc2cccc(Cl)c2O)C1	368591826	NACZGARUVJILCT-LBPRGKRZSA-N	305.809	3.159	10	20	DGCD	
CCc1nn(C)cc1NCc1cc(Br)cc(C)c1O	271875020	ZCMLOOXRZNBHDE-UHFFFAOYSA-N	324.222	3.371	10	20	DGCD	
CCOc1cccc(CN2CCO[C@H](c3ccccc3)C2)c1O	271047572	SGUUGZYUMDVVDZ-SFHVURJKSA-N	313.397	3.364	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Br)ccc2O)CCCO1	281360833	UWKFZYQBIQNYHC-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
CO[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1CC1	280786561	KRKCGASPXYUWHY-SFHVURJKSA-N	316.445	3.060	10	20	DGCD	
C[C@H](CCOCc1ccccc1)NC(=O)c1cc(O)cs1	807875561	MQNLPLJRQXOBID-GFCCVEGCSA-N	305.399	3.179	10	20	DGCD	
FC1(F)CCC[C@H]1CNCc1ccc(N2CCOCC2)cc1	390552467	KMSJCLJDMDFPLX-HNNXBMFYSA-N	310.388	3.048	10	20	DGCD	
COc1ccc(CN[C@@H]2CCc3cccc(O)c32)cc1[N+](=O)[O-]	297634534	JJVAVKVLQNRJFQ-CYBMUJFWSA-N	314.341	3.086	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CC2(CCC2)C1	569928826	IDJXBYYMSIGOGD-UHFFFAOYSA-N	300.402	3.058	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cnc2ccccc2c1	800837133	PDIGNGBBIYZMOJ-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
CC(C)C[C@H](CNCc1cc(Cl)cc(F)c1O)C(=O)O	818630489	MOBBPHRUICQPRU-SNVBAGLBSA-N	303.761	3.021	10	20	DGCD	
CSC[C@@H](O)CNCc1ccc(N(C)C2CCCCC2)cc1	818981114	QWLPENKOQNSWCX-SFHVURJKSA-N	322.518	3.269	10	20	DGCD	
O=C(/C=C/c1cccnc1)NCc1cc(Cl)cc(Cl)c1O	813685959	WCVDDMMMQUIURO-ONEGZZNKSA-N	323.179	3.424	10	20	DGCD	
CSCc1cnc(CNCc2ccc3c(c2)CCO3)s1	815123137	XNDKSQZLJTWGSA-UHFFFAOYSA-N	306.456	3.231	10	20	DGCD	
CC(C)C[C@@H](CN)N[C@@H](C)c1ccc(Br)cc1O	817958980	NXWHBGMXNOMAQD-JQWIXIFHSA-N	315.255	3.179	10	20	DGCD	
Cc1cc(C(=O)CN(C)C2CCC2)c(C)n1-c1ccc(F)cn1	827900746	SPBIBCJWGXFVQB-UHFFFAOYSA-N	315.392	3.295	10	20	DGCD	
CCN(Cc1ccccc1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	825439467	CXAQSRVFQKCRHE-ZDUSSCGKSA-N	323.400	3.155	10	20	DGCD	
CC/C(C)=C/C(=O)N1CCCN(c2ccc(OC)cc2)CC1	822656071	KBQLSENOYVDQLD-CCEZHUSRSA-N	302.418	3.090	10	20	DGCD	
CC(C)[C@@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1	832172819	KPYYUNYIKILRTF-GOSISDBHSA-N	310.441	3.442	10	20	DGCD	
Cc1cc(C(=O)COC(=O)C(C)C)c(C)n1-c1ccc(F)cn1	837336664	DDWXKZFEGGGHDC-UHFFFAOYSA-N	318.348	3.010	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1F	746798374	WJDWWDHRNGXVRL-UHFFFAOYSA-N	320.795	3.404	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)OCCn3cccn3)c2C)c1	744479885	CFEWKUJTYKEBRU-UHFFFAOYSA-N	323.396	3.456	10	20	DGCD	
CCc1cccc(CN2CCC(=O)N(C)c3ccccc32)c1O	848912585	SKCVZIZSYWDMTA-UHFFFAOYSA-N	310.397	3.328	10	20	DGCD	
CCc1cccc(CN2CCC(OC[C@@H]3CCCO3)CC2)c1O	848882808	BTQCEJDHUMAFDW-SFHVURJKSA-N	319.445	3.115	10	20	DGCD	
CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(-c2ccccc2)ccc1O	742438851	GGIOFEBBKFWHOG-SFHVURJKSA-N	322.408	3.432	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCNC2(CCC2)C1	841089237	JOOYEGMBUALZRO-LBPRGKRZSA-N	315.244	3.463	10	20	DGCD	
N[C@@H]1CCC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]12	843058028	LMVDYHYGRKWAIU-YSIASYRMSA-N	313.489	3.236	10	20	DGCD	
COc1cccc([C@H](O)CN[C@H](C)c2ccc(Cl)cc2O)c1	841765019	TUMPNTDOZSOLEH-PIGZYNQJSA-N	321.804	3.438	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCc3conc3C)sc2n1	849660288	OEXGBOXORZDUIR-UHFFFAOYSA-N	317.370	3.149	10	20	DGCD	
C[C@H](NCCOC[C@H]1CCOC1)c1ccc2ccccc2c1O	756562081	FTZAGCLPUXMWPZ-GJZGRUSLSA-N	315.413	3.249	10	20	DGCD	
CC(C)OCCN[C@H](C)c1cc(Br)c(F)cc1O	757688406	YXTMBSQVQAVVDI-SECBINFHSA-N	320.202	3.369	10	20	DGCD	
C[C@@H](NCC(=O)NCc1ccccc1)c1cc(Cl)ccc1O	756474780	DOEGXRVXNQIIHC-GFCCVEGCSA-N	318.804	3.013	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)c1	858147930	DWWFATQLFPVJOK-SWLSCSKDSA-N	314.385	3.416	10	20	DGCD	
C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)c1ccc(F)cc1O	756713185	VWMMOGDFACQNTQ-GDZNZVCISA-N	303.377	3.347	10	20	DGCD	
Cc1nc(C)c(NC(=O)NCc2ccc(N(C)C)cc2)s1	751887546	VXHWINIBQWVHEO-UHFFFAOYSA-N	304.419	3.148	10	20	DGCD	
CCCCCOC1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1	757974116	YQVJGNWEXFQNIB-UHFFFAOYSA-N	324.377	3.007	10	20	DGCD	
COc1cc(Br)cc(CNC2(C3CC3)CC2)c1O	760712743	LAUKMODQXSJVRD-UHFFFAOYSA-N	312.207	3.196	10	20	DGCD	
CCOc1ccc(CN(C)CC[C@@H]2CCCCN2C)c(O)c1	769483179	NPJMSJCKLSFAPY-INIZCTEOSA-N	306.450	3.097	10	20	DGCD	
O=C(OCCOc1ccc(F)cc1Cl)c1cc(O)cs1	769793095	LYHLEGSCNQLHNQ-UHFFFAOYSA-N	316.737	3.482	10	20	DGCD	
C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC2(CCC2)O1	862400284	SEVXPAKEUKKXNS-GFCCVEGCSA-N	310.388	3.174	10	20	DGCD	
O=[N+]([O-])c1ncccc1NCc1cccc(Br)c1O	764935488	VESHNJJLXHIJNX-UHFFFAOYSA-N	324.134	3.070	10	20	DGCD	
Cc1cnc(CCNC(=O)N[C@H](C)c2ccccc2O)c(C)c1	868752041	SEZANKHLKXJSGA-CQSZACIVSA-N	313.401	3.007	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCc3cccnc3CC2)c1	877533482	PAFJSEXEQPFUCI-DZGCQCFKSA-N	312.413	3.394	10	20	DGCD	
OCC1CCN(c2ccc(CNC3CC4(CCC4)C3)cc2)CC1	772875064	IBSGVXNLCLLPRR-UHFFFAOYSA-N	314.473	3.318	10	20	DGCD	
CC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O	775412717	OJMHSYKNWLHQFM-MRXNPFEDSA-N	316.357	3.420	10	20	DGCD	
CC(C)N(C(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C	774483965	NXTQKCXDIZJEQT-CVEARBPZSA-N	319.493	3.437	10	20	DGCD	
Cc1cccc(CN2CCN(Cc3ccccc3)C[C@H]2C)c1O	775695637	PYBXPEJPOMUVMA-QGZVFWFLSA-N	310.441	3.407	10	20	DGCD	
C[C@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(N(C)C)cc1	773080755	NCESALLWRYLRBC-DOTOQJQBSA-N	318.461	3.131	10	20	DGCD	
Cc1cc(N(C)C)nc(NCc2ccc(N3CCCC3)cc2)n1	1116933511	KKGBLQBNEUXSQB-UHFFFAOYSA-N	311.433	3.063	10	20	DGCD	
C[C@H]1CCCC[C@@H]1Cn1cc(COc2ccc(N)cc2)nn1	881324885	KZWVOUITNGMTTC-UONOGXRCSA-N	300.406	3.266	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	883076299	ZJFLPMLJBJPHRV-DAXOMENPSA-N	309.356	3.108	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(C3CC3)c2)c1	783589989	RKWAXNLMOLIFPP-NSHDSACASA-N	312.369	3.164	10	20	DGCD	
CCC(O)(CC)CCNCc1cccc(Br)c1O	788077209	IMVDVZQQFGNLQZ-UHFFFAOYSA-N	316.239	3.186	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c1	797458517	NCGVOTJBXBGOET-IHRRRGAJSA-N	320.433	3.272	10	20	DGCD	
CCC[C@@H](C)C(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1	1181751543	YRJKGKWLEITVPN-RHSMWYFYSA-N	318.461	3.130	10	20	DGCD	
O[C@]1(CNCc2ccc(N3CCCC3)cc2)CCc2ccccc21	1254197341	XXJSJEKMZAURSQ-NRFANRHFSA-N	322.452	3.210	10	20	DGCD	
Cc1ccc(O)c(CNc2nc(C)nc(C)c2Br)c1	1351352317	KCCRJKGWIBGBKE-UHFFFAOYSA-N	322.206	3.482	10	20	DGCD	
COc1cc(CN[C@H](C)c2cc(C(=O)O)ccc2O)ccc1C	1610297786	SDNLESBLZKDFIF-GFCCVEGCSA-N	315.369	3.258	10	20	DGCD	
COc1ncc(CSc2ncc(C(=O)O)s2)cc1Cl	1610370421	DTSGPZUJUKJNCF-UHFFFAOYSA-N	316.791	3.191	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C)CCC[C@@H]2C(=O)O)cc1	1776861269	CIQUMCVZMQIBCA-SJLPKXTDSA-N	304.434	3.266	10	20	DGCD	
Cc1cc(C(=O)COC(=O)[C@H]2C[C@H]2C)c(C)n1-c1ccccc1	5405677	PFLWWVWOCULFLL-WBMJQRKESA-N	311.381	3.476	10	20	DGCD	
CN(Cc1ccccc1)C(=O)NCc1ccc(N(C)C)c(F)c1	57646803	SKEFGOLSIGIQHT-UHFFFAOYSA-N	315.392	3.233	10	20	DGCD	
CC(C)=CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	55530414	PWFHZTPOSSSQCJ-ZIAGYGMSSA-N	320.408	3.022	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnn(CC)c2)cc1F	112099243	PGBVPLNRZNGDDG-UHFFFAOYSA-N	304.413	3.178	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccc2c(c1)OCCO2	115629395	OYFKXADBZQCPPW-UHFFFAOYSA-N	312.413	3.122	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC[C@@H](N2CCCC2)CC1	129218268	KMCIJSFRJILOGK-CQSZACIVSA-N	308.853	3.496	10	20	DGCD	
Cc1cccc2ncnc(N[C@H](C)Cc3ccc(O)c(O)c3)c12	184147041	LAEBZYQZTDZFLT-GFCCVEGCSA-N	309.369	3.393	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)Cc3ccoc3)cc2)CC1	185675343	UBGXJHCWUNKARV-UHFFFAOYSA-N	312.413	3.375	10	20	DGCD	
COc1cc(O)c(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1OC	181402837	JBJFYXSHUBABNA-CFVMTHIKSA-N	305.418	3.420	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCCN(C)C)c1C	78258723	PTMJKJIMHABADN-UHFFFAOYSA-N	313.445	3.084	10	20	DGCD	
Oc1c(Br)cccc1CNc1ccc2c(c1)OCO2	48794970	UKJPSTNKDKLNPP-UHFFFAOYSA-N	322.158	3.496	10	20	DGCD	
CS[C@H](C)CCC(=O)N1CCOc2cc(N(C)C)ccc21	358400850	DHMOZXIWCJVZSG-GFCCVEGCSA-N	308.447	3.010	10	20	DGCD	
CC(C)n1c(CNC(=O)Cc2ccc(N)cc2)nc2ccccc21	269267217	PXWRAPIRWVHGPJ-UHFFFAOYSA-N	322.412	3.058	10	20	DGCD	
CC(C)N(Cc1cccc(F)c1)C(=O)Cc1ccc(N)cc1	269250247	TWDRXKOYFURNIA-UHFFFAOYSA-N	300.377	3.388	10	20	DGCD	
C[C@H](NCC1CCN(C2CC2)CC1)c1ccc(N(C)C)cc1	278374072	DQAJBATVNPCFCZ-HNNXBMFYSA-N	301.478	3.278	10	20	DGCD	
CC(C)c1nc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)n[nH]1	271586607	XOUQQNOJPFVACF-OLZOCXBDSA-N	301.438	3.406	10	20	DGCD	
CO[C@@H](C)CN[C@@H](C)c1cc(Br)cc(C)c1O	276981555	WAJSFKAUMJJHSZ-UWVGGRQHSA-N	302.212	3.149	10	20	DGCD	
CCc1nc([C@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)n[nH]1	271443604	FKTXFCXTMJXBLY-WFASDCNBSA-N	301.438	3.235	10	20	DGCD	
Cc1n[nH]cc1C1CCN(Cc2cccc(Cl)c2O)CC1	375265374	GYWUHSHGXHCLJH-UHFFFAOYSA-N	305.809	3.457	10	20	DGCD	
CC[C@@H](N[C@H](CCO)COC)c1cc(Cl)cc(Cl)c1O	287281830	BMOZJFBDIMEDOU-ZWNOBZJWSA-N	322.232	3.137	10	20	DGCD	
Cc1noc(NCc2ccc(N(C)C)cc2C(F)(F)F)n1	280031664	LCUXILNXFHXAHA-UHFFFAOYSA-N	300.284	3.075	10	20	DGCD	
CCOC1CC(N(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	807140007	JDHQJKSEHBALPE-NVPAJSRCSA-N	319.449	3.023	10	20	DGCD	
CCCC[C@@H](CC)CN1C(=O)CN(Cc2ccccc2O)C1=O	819166516	WRUYFGAFLUAMKZ-CQSZACIVSA-N	318.417	3.373	10	20	DGCD	
CCOc1ccc(CN[C@@H](C(C)C)C2(CO)CCC2)c(O)c1	814171867	XJSYBJISMXGMJI-KRWDZBQOSA-N	307.434	3.068	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](c2ccccc2)C(F)F)c(O)c1O	817226040	ZHGLRQLPGXQTKT-GFCCVEGCSA-N	307.296	3.142	10	20	DGCD	
Cc1ccc(CCNCc2cc(Cl)cc([N+](=O)[O-])c2O)o1	725847818	RMRLOPBYWZXVTP-UHFFFAOYSA-N	310.737	3.188	10	20	DGCD	
COC(=O)c1cnc(SCCCOc2ccccc2)s1	829680629	CBQVGSGRLCQKGO-UHFFFAOYSA-N	309.412	3.491	10	20	DGCD	
Cc1ccccc1C(C)(C)CNC(=O)NCc1ccccc1O	726251422	XODXFTZITCRTOT-UHFFFAOYSA-N	312.413	3.478	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cc1F	824838139	MATRMZPVDNCMOI-WTLGNFPFSA-N	316.420	3.057	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccnn2C(F)F)cc1	822607805	NMDUMCTZQCHINR-UHFFFAOYSA-N	322.359	3.054	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@]1(C)CCOC1	733181378	SYIRRHGUJUSJNV-QGZVFWFLSA-N	318.442	3.312	10	20	DGCD	
COC1CN(Cc2c(O)ccc3cc(Br)ccc23)C1	738226398	UCJKYPBZQOXHSD-UHFFFAOYSA-N	322.202	3.139	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1ccccc1N1CCOCC1)CC2	834541567	YWPDZBIDCCJGMV-QGZVFWFLSA-N	324.424	3.006	10	20	DGCD	
COC(=O)c1cnc(SC[C@H](O)c2cccc(C)c2)s1	905954390	AZNUAVLKRFLBTF-NSHDSACASA-N	309.412	3.064	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cnccc1C	838675637	HHSSWBPSGUIAFG-UHFFFAOYSA-N	313.401	3.217	10	20	DGCD	
CC1CCC2(CC1)OC[C@@H](CN[C@H]1CCc3cccc(O)c31)O2	834736934	BSJXPDJKGZDKBZ-VTLRXDCVSA-N	317.429	3.291	10	20	DGCD	
CC[C@H](NCCc1cnc(C)cn1)c1cccc(Cl)c1O	834910710	YFIQRZPVHWTESC-HNNXBMFYSA-N	305.809	3.427	10	20	DGCD	
C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](c2ccccc2)O1	841301249	HDQLFEVMUMDOSY-DYVFJYSZSA-N	311.385	3.263	10	20	DGCD	
O=C1CCCN1[C@H]1CCCN(Cc2cc(Cl)ccc2O)CC1	840975594	ZJINIKJXUVWSQH-HNNXBMFYSA-N	322.836	3.023	10	20	DGCD	
CN(C)c1ccc(CNc2cc(C(N)=O)c3ccccc3n2)cc1	914863213	OSFHBHJTBZPIRR-UHFFFAOYSA-N	320.396	3.012	10	20	DGCD	
C[C@H]1C[C@@H](CN(Cc2ccc(N(C)C)cc2)C2CC2)CCN1	841004174	BNODEOJMHACPAJ-RDJZCZTQSA-N	301.478	3.105	10	20	DGCD	
COc1ccc2oc(C(=O)NCc3ccccc3O)c(C)c2c1	748353668	CJVPPILFXQFTMC-UHFFFAOYSA-N	311.337	3.385	10	20	DGCD	
Cc1cc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)ccc1N(C)C	846265612	NGAJROZYFLUSHT-SZMVWBNQSA-N	316.445	3.279	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1	840946074	DZOYMFDQMNHWLS-ZWKOTPCHSA-N	302.462	3.450	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](CO)CC2CCCC2)c1O	846166848	DMPVKISMFKRAMG-ZFWWWQNUSA-N	307.434	3.240	10	20	DGCD	
C[C@H](Nc1ccc(N(C)CCO)cn1)c1ccc(Cl)cc1O	841749376	DLRKBVAZNQGZTJ-NSHDSACASA-N	321.808	3.042	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCC(F)(F)C1	845170156	ONRFCVYZMCAJPE-VIFPVBQESA-N	318.751	3.280	10	20	DGCD	
CCCC(=O)NC[C@@H]1CCCN(Cc2cccc(CC)c2O)C1	848883468	FQTWJCFFNAKQHH-HNNXBMFYSA-N	318.461	3.083	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1cc(C)nc(C)n1)CCC2	852172014	DLHFSBSLEWNQGK-UHFFFAOYSA-N	313.401	3.063	10	20	DGCD	
COc1ccc2c(c1)OC[C@H](N[C@@H](C)c1cc(F)ccc1O)C2	756774913	MHQHJKDBRNNKEE-SMDDNHRTSA-N	317.360	3.194	10	20	DGCD	
Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)c(O)c1O	751533193	MIHPQRTWWDKOMH-UHFFFAOYSA-N	311.381	3.258	10	20	DGCD	
C[C@@H](NC[C@@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1O	756340346	DWWUSEKJJQTFQI-RHSMWYFYSA-N	316.420	3.355	10	20	DGCD	
C[C@@H]1CCCN(CCN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1	756414864	JFBOKUICXUDPBP-NFAWXSAZSA-N	306.425	3.401	10	20	DGCD	
Cc1cc(CN[C@H](CO)c2ccc(F)cc2F)ccc1N(C)C	852713945	RSLZLTJUEGCGGA-QGZVFWFLSA-N	320.383	3.162	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1	860240833	DNCVTYQQPGABTF-DLBZAZTESA-N	311.381	3.129	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nc(Cl)ccc2F)c1	760132397	GGUYNFZJFQBFKG-QMMMGPOBSA-N	324.739	3.079	10	20	DGCD	
COC(=O)C(C)(C)N(C)Cc1ccc(N2CCCCC2)c(C)c1	1118033293	HUBRHIGYNOOINH-UHFFFAOYSA-N	318.461	3.369	10	20	DGCD	
C[C@@H](NC[C@H]1C[C@H](O)C1)c1ccc(N2CCCCCC2)cc1	872125798	DVPZRRKAWPBFMG-GPMSIDNRSA-N	302.462	3.489	10	20	DGCD	
CCOc1cc(NCc2cc3c(cc2O)OCO3)ccc1C	770421897	ZYVVBXKXXBRKFU-UHFFFAOYSA-N	301.342	3.440	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2C)C12CCC2	776156608	LUCQJVYAWGSTQX-ZWKOTPCHSA-N	302.462	3.498	10	20	DGCD	
O=C(N(Cc1ccccc1O)C[C@@H]1CCCO1)C1(F)CCCC1	773474437	HSUKBFFMDFJKML-HNNXBMFYSA-N	321.392	3.182	10	20	DGCD	
COc1cccc(F)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	772997631	VANRWJLKEGWFQY-GFCCVEGCSA-N	316.376	3.391	10	20	DGCD	
CCN(C)c1ccc(CN(C)CC[C@@H]2CCCCN2C)cc1	773754645	RGIPRRRYHYQFJJ-SFHVURJKSA-N	303.494	3.449	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775411185	PINOUOZTIFNYDD-VSGCLNPGSA-N	309.413	3.347	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccccc1OC(F)(F)F	775542669	NOWXNTRXRFCUSE-UHFFFAOYSA-N	311.259	3.221	10	20	DGCD	
C[C@H](NCc1cc(F)cc(F)c1O)c1nc(C(C)(C)C)no1	883024761	LUNVGXCBARNKSC-QMMMGPOBSA-N	311.332	3.202	10	20	DGCD	
COC(C)(C)[C@H](C)NCc1ccc(N2CCSCC2)cc1	788543035	RNJMYVXGXXLZIP-AWEZNQCLSA-N	308.491	3.143	10	20	DGCD	
Cc1cc(/C=C2/SC(=S)N(C3CCC3)C2=O)cnc1F	899260938	VKVRQRXPWWCXKS-IZZDOVSWSA-N	308.403	3.283	10	20	DGCD	
CSCCONC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	794196169	UPGDAUKGLZNNRY-UHFFFAOYSA-N	318.442	3.427	10	20	DGCD	
CC(C)N1CCC(N(C)Cc2c(O)ccc(Cl)c2F)CC1	792162094	CIIWLTALFRHQRZ-UHFFFAOYSA-N	314.832	3.489	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1	1338797739	GOSGWYOKMAOOSO-KRWDZBQOSA-N	313.376	3.455	10	20	DGCD	
CC[C@H](F)C(=O)N(CC)Cc1cc(Br)ccc1O	1337132454	JKBIZBTURBAPAZ-NSHDSACASA-N	318.186	3.251	10	20	DGCD	
O=C(O)[C@@H]1Cc2ccccc2N(Cc2ccc(Cl)cc2O)C1	1608654728	MEYBXFLIVYICQI-CYBMUJFWSA-N	317.772	3.309	10	20	DGCD	
Cc1ccc(F)c(CN(C)c2ccc(OCC(=O)O)cc2)c1	1610503068	HNZADFGXRUUMBD-UHFFFAOYSA-N	303.333	3.234	10	20	DGCD	
CSc1ccc(CCNC(=O)NCc2ccc(N)cc2)cc1	1579388492	WNHIYMAUKLLWRE-UHFFFAOYSA-N	315.442	3.033	10	20	DGCD	
C[C@H](N[C@@H](C(=O)O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	1593196125	UPSFOMBRINCKIB-YVEFUNNKSA-N	316.376	3.368	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C(C)(C)c2ccc(C)cc2)c1	151732686	YNKPDJKAPHRLQB-UHFFFAOYSA-N	313.397	3.303	10	20	DGCD	
CC[C@@H](NCc1c[nH]nc1C)c1cc(Br)ccc1O	38011172	CDNPEIJNMYIIED-CYBMUJFWSA-N	324.222	3.427	10	20	DGCD	
CN(Cc1cnc(Br)s1)Cc1ccccc1O	290139372	VQKZMPMEAJJJTE-UHFFFAOYSA-N	313.220	3.243	10	20	DGCD	
CCC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1	175797309	KQOJPOMXAROZCN-UHFFFAOYSA-N	318.486	3.436	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)c2c(F)cccc2F)c1	305785734	XTURPCWJLGMZNP-HWPZZCPQSA-N	323.339	3.063	10	20	DGCD	
C[C@@H]1Oc2ccc(N[C@H](C)c3ccc(F)cc3O)cc2NC1=O	170789148	NIGUAWNZCTWVJJ-ZJUUUORDSA-N	316.332	3.424	10	20	DGCD	
CCOc1cccc(CNc2ccc3c(c2)CCC(=O)N3)c1O	122584003	JNYHULKLEONALO-UHFFFAOYSA-N	312.369	3.288	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1cc(OC)ccc1O	184718114	IZHVLBNIWYPWQV-CXAGYDPISA-N	321.417	3.002	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	188553764	RITAOGBMYIREOS-SWLSCSKDSA-N	307.413	3.222	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)C(C)(C)C	265067749	SOGPDSUHJXDRBN-UHFFFAOYSA-N	316.445	3.251	10	20	DGCD	
Cc1[nH]nc2ncc(CNCc3c(C)c4ccccc4n3C)cc12	355120386	JSBMAKMSOQGTPQ-UHFFFAOYSA-N	319.412	3.356	10	20	DGCD	
CS[C@H](CO)[C@@H](C)NCc1cc(-c2ccccc2)ccc1O	265738621	DFSQVMVKXALOTF-FZKQIMNGSA-N	317.454	3.261	10	20	DGCD	
COc1cc(Cl)cc(CN2CCOC[C@H]2c2ccco2)c1O	368625330	YQUATRXZNNEZNC-ZDUSSCGKSA-N	323.776	3.221	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCCN(c2nccs2)CC1	271140746	OWRVKVDXEFDKSE-UHFFFAOYSA-N	323.849	3.214	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@@](C)(O)C(F)(F)F)cc1	271491083	KUBCALNAESEEDC-BXUZGUMPSA-N	304.356	3.107	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)/C=C/c1cncs1	281598101	AABHJJWIUFAUOR-BQYQJAHWSA-N	302.399	3.301	10	20	DGCD	
CCN(CC)c1ccc(CNC(C)(C)c2nc(C)no2)cc1F	283887216	HIIPFFWBIVRCDM-UHFFFAOYSA-N	320.412	3.388	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)c2nccn2-c2ccccc2)c1	377868405	HXQALBKRSHTFMO-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
Cc1nc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)co1	801617763	PSVFHGSKAKWHHU-UHFFFAOYSA-N	313.401	3.149	10	20	DGCD	
COCCN(Cc1cccnc1)Cc1ccc(N(C)C)c(C)c1	294678314	SJSFAKHAYCIOAB-UHFFFAOYSA-N	313.445	3.105	10	20	DGCD	
CC[C@H](NCc1nc(C2CC2)n[nH]1)c1cccc(Cl)c1O	296241646	CNINCCYERADRSD-LBPRGKRZSA-N	306.797	3.282	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc(C)c1	808093712	VAXQCTOKYWLMNQ-UHFFFAOYSA-N	304.386	3.045	10	20	DGCD	
CC(C)[C@@H](C)N(C)C(=O)NCc1ccc(N2CCCC2)cc1	298679867	KNSXZLMOQZSQJC-OAHLLOKOSA-N	303.450	3.473	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3ccsc3)C2)cc1	818220548	LROYTWCUDWFWMX-AWEZNQCLSA-N	302.443	3.373	10	20	DGCD	
Fc1cc(CNC[C@@H]2C[C@H]2C2CCC2)ccc1N1CCOCC1	818223179	SFYCOHXQSIUWFB-IRXDYDNUSA-N	318.436	3.188	10	20	DGCD	
CC(C)C[C@H](CNCc1cc(Cl)c(F)cc1O)N(C)C	816534751	SVSOEDYUVJDTFZ-GFCCVEGCSA-N	302.821	3.251	10	20	DGCD	
CC[C@@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(C(F)(F)F)cc1O	817976889	WMFFOEIMFYCFQI-GMXVVIOVSA-N	320.330	3.152	10	20	DGCD	
CC[C@H](NCc1cncn1C)c1ccc(C(F)(F)F)cc1O	810243645	SJBIXBIZJHQUGX-ZDUSSCGKSA-N	313.323	3.385	10	20	DGCD	
C[C@H](NC[C@@H]1NCCc2ccccc21)c1cc(F)ccc1O	817973371	DSHGVEVXCYEIFZ-SJCJKPOMSA-N	300.377	3.069	10	20	DGCD	
Cn1ncc(NCc2ccc(Br)cc2O)c1C1CC1	825536736	MKXOOXZLKJZKQC-UHFFFAOYSA-N	322.206	3.378	10	20	DGCD	
Cc1ccc(C(=O)OCc2cc(-c3ccco3)on2)c(O)c1O	727005077	FRGLIQBVJGULOI-UHFFFAOYSA-N	315.281	3.011	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(C)=O)ccc21	728639699	SSFKZGOCSNBUQM-AWEZNQCLSA-N	317.385	3.039	10	20	DGCD	
CCC1(NCc2cc(Br)cc(OC)c2O)CC1	824620258	GUQNGDXHJAMIMR-UHFFFAOYSA-N	300.196	3.196	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(Cl)cc2)c1	728985630	ZFMROJKBXZYDLH-NSHDSACASA-N	319.788	3.474	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O	824721719	IFSFWLMHAOSDKQ-GDLCADMTSA-N	313.800	3.310	10	20	DGCD	
Cc1cc(O)c(CN2C[C@@H](N3CCCC3)C[C@@H]2C)cc1Cl	825885147	DGAADLAAVHADHQ-ZFWWWQNUSA-N	308.853	3.413	10	20	DGCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)CC(F)(F)C(F)F	736618515	FUHYZXFWJAWBQD-LBPRGKRZSA-N	321.314	3.274	10	20	DGCD	
C[C@H](OC(=O)c1cc(O)cs1)c1nnc(-c2cccs2)o1	731909636	HBQQVUKTTTYIIU-ZETCQYMHSA-N	322.367	3.483	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@H](c2ccncc2)C1)c1cc(F)ccc1O	834890095	CWXFBLWNFOGIMB-QITLCBANSA-N	316.376	3.497	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1ccoc1C	734688071	FVCJLZBZEIXDFH-UHFFFAOYSA-N	315.417	3.304	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@]1(O)CCCc3ccccc31)CC2	834576159	TUXFIKGISOMZGX-XLIONFOSSA-N	309.409	3.193	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@]1(C)CCCCO1	839921312	CHKIEOCDLBUWDZ-DNVCBOLYSA-N	318.461	3.067	10	20	DGCD	
CCCc1cnc(NC(=O)/C=C\c2ccc(O)c(O)c2)s1	588407190	FCXCMYUZLGNEIW-ALCCZGGFSA-N	304.371	3.159	10	20	DGCD	
C[C@H](NC(=O)c1ccc2c(c1)CCOC2)c1ccc(N(C)C)cc1	832436876	SARYIHGJESMUJW-AWEZNQCLSA-N	324.424	3.316	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1	739625684	QZPWJBZKHRRJDG-UKOWJOKBSA-N	302.330	3.071	10	20	DGCD	
CCO[C@H](CC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	919996414	XVXNFDCQCBBHHA-QGZVFWFLSA-N	304.434	3.059	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1ccc(N)cc1)[C@H]2C	843496125	ZVQGQBIRZJORLN-KBPBESRZSA-N	324.424	3.354	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H]2CCCN(C(C)C)C2)c1O	846143236	CWAYKMOVKWXOHJ-HUUCEWRRSA-N	306.450	3.172	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@@H](C1CC1)C(F)(F)F	844661982	CNENVVGDDLJPSC-NSHDSACASA-N	322.714	3.186	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@H]1C1CCC1	846013979	GLTOLYMXPLFMER-NWDGAFQWSA-N	324.218	3.207	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ncc(Cc3ccccc3)s2)cc1	746403956	XRJOKMUZXNPKKO-UHFFFAOYSA-N	323.421	3.497	10	20	DGCD	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCCc1ccc(N)cc1	841961031	ZIQHNYBROYIVEL-UKPHBRMFSA-N	301.434	3.174	10	20	DGCD	
CCN(CC)c1ccc(CNCCCN(C)C(C)C)cc1F	740002471	OFIAXRDVVPZELK-UHFFFAOYSA-N	309.473	3.492	10	20	DGCD	
COc1ccc(N(C)CCN(C)CCc2cccc(C)n2)cc1	844402207	PUBZKVWUHPCLJL-UHFFFAOYSA-N	313.445	3.009	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C1SCCCS1	841402705	GFYYOAHETYPCHD-UHFFFAOYSA-N	311.472	3.327	10	20	DGCD	
CC(C)(C)CN(CC(=O)O)Cc1cc(Cl)cc(F)c1O	854244004	LKIYDWUAZVNVAV-UHFFFAOYSA-N	303.761	3.117	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ncccc1F	857508395	RDAKIEZEOGCXPY-UHFFFAOYSA-N	315.131	3.163	10	20	DGCD	
CC[C@H](NCCC(C)(C)N)c1cc(Br)ccc1O	925739587	ZPJSHHWOEFKTFI-LBPRGKRZSA-N	315.255	3.323	10	20	DGCD	
C[C@@H](N[C@H]1C[C@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1	927151916	HZVHEBPQDVLTBO-IIAWOOMASA-N	306.425	3.238	10	20	DGCD	
CCOCc1cc(CNC2(COC)CCCC2)ccc1OC	850345417	ZOHXIVXNIIEWSW-UHFFFAOYSA-N	307.434	3.281	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCOC3(CCOCC3)C2)c(O)c1	756765789	RBPUWQBWIMVGIV-HUUCEWRRSA-N	305.418	3.079	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cc(F)cc(F)c1O	850500814	GOUKJJDWISMHAW-GEUJYKRQSA-N	317.401	3.011	10	20	DGCD	
C[C@@H]1C[C@@H]1CN[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	754119902	FAJUYNPOXRDSOP-XJKCOSOUSA-N	308.853	3.256	10	20	DGCD	
C[C@H](NCCc1cn2ccccc2n1)c1cc(F)cc(F)c1O	756391951	IQADQFGNZWWSJE-NSHDSACASA-N	317.339	3.211	10	20	DGCD	
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1O	868343114	MGXSZSTYAIBCRV-KEYYUXOJSA-N	320.433	3.204	10	20	DGCD	
CC[C@@H](C)N(CCO)Cc1cc(C)cc(Br)c1O	862388178	XOYMVYRJOBEJSG-LLVKDONJSA-N	316.239	3.056	10	20	DGCD	
CC(C)N(Cc1ccccc1)C(=O)CN(C)c1ccc(N)cc1	863556615	VYINHBNWYHEVPZ-UHFFFAOYSA-N	311.429	3.142	10	20	DGCD	
CC(C)Cc1nnc(NCc2cc(F)c(N(C)C)cc2F)o1	865289761	VCNAPAVLJRFGFO-UHFFFAOYSA-N	310.348	3.224	10	20	DGCD	
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc(F)c(N(C)C)cc1F	862252438	UCQVSIKTSSULBX-CABCVRRESA-N	323.431	3.089	10	20	DGCD	
Cc1ccc2c(c1)CCCN2Cc1cc2c(cc1O)OC[C@@H]2O	768463639	VHMASWQDVMGOFJ-SFHVURJKSA-N	311.381	3.079	10	20	DGCD	
COCC1(C)CCN(Cc2cc(Cl)cc(OC)c2O)CC1	761213026	AKPZXUVWZDRJQK-UHFFFAOYSA-N	313.825	3.303	10	20	DGCD	
CSc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)co1	864633794	LRTKYPWIEFWVSB-UHFFFAOYSA-N	304.415	3.340	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)c(F)c1	767876659	RCUFQXMSVJIDKG-UHFFFAOYSA-N	316.376	3.260	10	20	DGCD	
COc1cc(Br)cc(CN2C[C@H](C)C[C@@H]2C)c1O	769471429	UHPUGHQVPKIPNE-ZJUUUORDSA-N	314.223	3.394	10	20	DGCD	
CCC1(CC)CN(Cc2cc3c(cc2O)OCO3)CCS1	767477971	DVRAIWPKTLVHNS-UHFFFAOYSA-N	309.431	3.229	10	20	DGCD	
O=C(OCc1nnc(-c2ccccc2)s1)c1cc(O)cs1	766713134	MCTQXPFFOHKCCB-UHFFFAOYSA-N	318.379	3.329	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C)[C@H](C)C1	766800484	MWLVYQXKTLVQTG-UKRRQHHQSA-N	303.450	3.249	10	20	DGCD	
CCS(=O)(=O)Cc1ccc(NCc2ccc(C)cc2O)cc1	877576023	HOAIRIZUOKZZNG-UHFFFAOYSA-N	319.426	3.247	10	20	DGCD	
C[C@@H](NC(=O)Nc1cnn([C@H](C)C2CC2)c1)c1ccccc1O	879296247	IKWWUNGDHRQPSL-VXGBXAGGSA-N	314.389	3.442	10	20	DGCD	
CCOC(=O)c1nnc2ccccc2c1NCc1ccccc1O	774525337	YYUXJUOUIVFNIM-UHFFFAOYSA-N	323.352	3.124	10	20	DGCD	
Cc1cccc([C@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	773748293	JLUXKJWPLAJLHL-KGLIPLIRSA-N	313.397	3.257	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CCC[C@@H](OC)C3)CC2)cc1	773083162	KOQDNMQLPKKTBG-QFBILLFUSA-N	318.461	3.211	10	20	DGCD	
CC[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O	775526083	IXJXSBXHNBXLSR-JSGCOSHPSA-N	324.852	3.486	10	20	DGCD	
COc1cc(Br)cc(CNC[C@@H]2C=CCC2)c1O	883238614	IATWAPCZEFEGSW-SNVBAGLBSA-N	312.207	3.219	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccc2oc(=O)oc2c1	883003254	GLTGEBCCPVSBQQ-UHFFFAOYSA-N	312.369	3.050	10	20	DGCD	
COCCOc1ccccc1NCc1cc(C)cc(OC)c1O	894122833	ZGAAWBFHDLCIHS-UHFFFAOYSA-N	317.385	3.347	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@H](C)NC(=O)C=C(C)C)cc1C	1133587186	RWTUUHAOSVQFDA-HOTGVXAUSA-N	318.461	3.343	10	20	DGCD	
CCn1cnc2c1CCN(Cc1ccc3ccccc3c1O)C2	897334108	JNJSZRBHYYLWHW-UHFFFAOYSA-N	307.397	3.320	10	20	DGCD	
CCCCC(=O)N1CCC[C@H](NCc2ccc(OC)c(C)c2)C1	1207385895	ZFUDORFMDCGVPW-KRWDZBQOSA-N	318.461	3.274	10	20	DGCD	
COc1ccc(CNC(=O)NCC[C@@H]2CCCC[C@H]2C)c(O)c1	792943883	ZRFZSYCRZKERLF-KGLIPLIRSA-N	320.433	3.416	10	20	DGCD	
C/C=C(/C)C(=O)N1C[C@H](NCc2ccc(OC)c(C)c2)C[C@@H]1C	988512191	LMVGFRPNUYMBIO-NNDGFTKTSA-N	316.445	3.049	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCN(C2CC2)C1	1325129281	XJQRLMWMRFOTOA-KRWDZBQOSA-N	313.489	3.203	10	20	DGCD	
CCN(CCSC)Cc1ccc(Br)cc1O	1333946839	YLHWMCZUHZWFTF-UHFFFAOYSA-N	304.253	3.340	10	20	DGCD	
Cc1ccc(CN[C@@H](C)[C@H](Cc2ccccc2)C(=O)O)c(O)c1	1600419873	QLTGRVVSDVALJB-YOEHRIQHSA-N	313.397	3.122	10	20	DGCD	
CN(C)c1ccc(OCc2nc3ccccc3o2)cc1C(=O)O	1598330218	NHHIJQAYBLJGRE-UHFFFAOYSA-N	312.325	3.171	10	20	DGCD	
CCCCN1CCC(N[C@H](C)c2cc(C(=O)O)ccc2O)CC1	1595749690	UAFLKLJTRQRVNX-CYBMUJFWSA-N	320.433	3.006	10	20	DGCD	
CC[C@H](NC1CCN(C(=O)CC(C)C)CC1)c1ccccc1O	155418528	KSXSBZFVHBZYSA-KRWDZBQOSA-N	318.461	3.470	10	20	DGCD	
Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c(C)n1	176775556	ATHGLPWUPYJNFL-UHFFFAOYSA-N	322.412	3.396	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)SC)cc1	179113328	OBFIPWSNUULCBG-CYBMUJFWSA-N	309.479	3.084	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCC(=O)NCc2ccccc2)c1	185252319	FTCLRTGDMKHCDA-OAHLLOKOSA-N	312.413	3.058	10	20	DGCD	
CC[C@@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O	320188093	OZGKWRAXXFYHRQ-BXUZGUMPSA-N	311.385	3.364	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	191479890	NIWMHTPQCKCTHB-ZWZTZDBGSA-N	311.784	3.232	10	20	DGCD	
CCOC(=O)[C@@](C)(CNCc1ccccc1O)c1ccccc1	191640048	JKMZWWPIPHJMPF-IBGZPJMESA-N	313.397	3.003	10	20	DGCD	
COc1cc(Br)cc(CN2CCC(C)(C)C2)c1O	93339806	JAHJDXIKLSHYPY-UHFFFAOYSA-N	314.223	3.395	10	20	DGCD	
COc1cccc(CN2CCC(Oc3ccccc3)CC2)c1O	91682397	JMXRKTYOWAOUMA-UHFFFAOYSA-N	313.397	3.444	10	20	DGCD	
Cc1c(CNc2cc(N3CCCC3)ncn2)n(C)c2ccccc12	359837521	OGMMQFVHPFHYJL-UHFFFAOYSA-N	321.428	3.489	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](CC)c2ccc(F)cc2O)[C@@]12CCCO2	286352183	ZFZWKTAPKCEASA-SPUZQDLCSA-N	323.408	3.299	10	20	DGCD	
Cc1noc([C@@H]2CCCCN2Cc2cc(Cl)ccc2O)n1	809719018	USWHGCYNMDCHFG-ZDUSSCGKSA-N	307.781	3.464	10	20	DGCD	
CN(C)C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1	297470462	YPFINBHKLJVGAA-IAGOWNOFSA-N	314.404	3.411	10	20	DGCD	
Oc1cccc2c1[C@H](NC1CCN(C3CCCC3)CC1)CC2	297576379	GYGOXMXFGLSOEF-QGZVFWFLSA-N	300.446	3.376	10	20	DGCD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NCc1ccccc1O	806717308	FNHKFUKANMTNGZ-AWEZNQCLSA-N	320.392	3.435	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](c3nccn3C)C2)ccc1N(C)C	815101560	AAWHTIFMYDRCBS-QGZVFWFLSA-N	312.461	3.174	10	20	DGCD	
Cc1ccc([C@H](C)NCc2cc3ccccc3n(C)c2=O)c(O)c1	813882057	ZKJGCWBRKWJSFW-AWEZNQCLSA-N	322.408	3.403	10	20	DGCD	
Cc1cccc(CN2CCCN3c4ccccc4C[C@H]3C2)c1O	811513590	XLCMVFWGANEPAV-SFHVURJKSA-N	308.425	3.338	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H](C)C[C@@H](C(=O)O)C2)cc1	817881735	NWQJVHQESOYSDF-GDBMZVCRSA-N	304.434	3.075	10	20	DGCD	
COc1ccc(OCCC(=O)N[C@H](C)c2ccccc2O)cc1	827917977	RZHRRWSSISWKMK-CYBMUJFWSA-N	315.369	3.047	10	20	DGCD	
CC[C@H](CC(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1	825394011	OHBDQEAVNXQURA-QGZVFWFLSA-N	318.461	3.212	10	20	DGCD	
CCOCc1cc(CNC(C)(C)CN2CCCC2)ccc1OC	825325662	GQJLVKAYABROKO-UHFFFAOYSA-N	320.477	3.196	10	20	DGCD	
CSC1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1	839920763	DSEMMBMQGIKLCK-CYBMUJFWSA-N	306.475	3.004	10	20	DGCD	
C[C@@]1(CCNC(=O)NCc2ccccc2O)CC1(Cl)Cl	836620645	PZIQVUKCGDIADS-CYBMUJFWSA-N	317.216	3.165	10	20	DGCD	
C[C@H](NC[C@@H](O)C1CCC1)c1ccc(N2CCCCC2)cc1	834906425	QPBHQLGDMGEDKQ-HNAYVOBHSA-N	302.462	3.489	10	20	DGCD	
Nc1ccc(CCNCc2ccc(OC(F)F)c(F)c2)cc1	841036556	VDFQQSBDYUGCRB-UHFFFAOYSA-N	310.319	3.342	10	20	DGCD	
O=C(NCCC[C@H]1CC1(Cl)Cl)NCc1ccccc1O	844940265	VMAMWYBROMHQAL-NSHDSACASA-N	317.216	3.165	10	20	DGCD	
CN1C(=O)/C(=C/c2cccnc2)c2cc(Br)ccc21	915850915	DWGJMSGNMXDVPU-NTUHNPAUSA-N	315.170	3.361	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cc(CC)no1	741423502	FRFBDDKVSPBKBH-UHFFFAOYSA-N	317.389	3.064	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H]2CCCCN2C2CC2)c1O	846166791	PDNKSBHEHVGNBB-HIFRSBDPSA-N	304.434	3.068	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](O)c2ccccc2Cl)c1O	846154002	IMIIJTLEYDOLRW-ABAIWWIYSA-N	321.804	3.438	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](C)[C@H]1C	745826393	AHYHEQOSCWOCCO-DZGCQCFKSA-N	303.450	3.391	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CCCC(F)(F)C3)ccc21	844934063	LPULANDIEUSMPT-UHFFFAOYSA-N	323.387	3.010	10	20	DGCD	
C[C@@H](C(=O)O)N(C)Cc1ccc(N(C)Cc2cccs2)cc1	840995711	MPGUEGZWBSAJMW-ZDUSSCGKSA-N	318.442	3.289	10	20	DGCD	
C[C@H]1CC2(CCOCC2)CN1Cc1c(O)ccc2ccncc12	842638211	XNFYKXBTNUNBPL-AWEZNQCLSA-N	312.413	3.331	10	20	DGCD	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCCc1ccc(N)cc1	841954241	KLDOBEICPWBSTQ-QAPCUYQASA-N	323.440	3.399	10	20	DGCD	
Cc1cccn2cc(CCN[C@H](C)c3cc(F)ccc3O)nc12	756626769	CJWYYIAZSHPYRT-CYBMUJFWSA-N	313.376	3.381	10	20	DGCD	
C[C@@H](NC[C@@H](CO)Cc1ccccc1)c1cc(F)ccc1O	756460838	UIRHEQNVTUYNLI-HIFRSBDPSA-N	303.377	3.033	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2Cc3ccccc3NC2=O)cc1	858527487	HRNYCEWFGBQXBK-IFXJQAMLSA-N	323.440	3.357	10	20	DGCD	
C[C@@H]1C[C@@H](NCCC2CCN(C)CC2)c2c(O)ccc(F)c21	756546841	SHIRRNZRLKLTCP-IUODEOHRSA-N	306.425	3.401	10	20	DGCD	
C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(O)c1	931152634	VDTCZRXYGLFSTL-AWEZNQCLSA-N	324.424	3.195	10	20	DGCD	
Cn1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1	764324262	MIYQCLPDRGXMSG-UHFFFAOYSA-N	310.353	3.166	10	20	DGCD	
Cc1ccc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(O)c1	876818802	YEOPNWXYROTBNI-HNNXBMFYSA-N	312.417	3.076	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(Cl)nn2)cc1	876944334	LILVDGCPJFVWSK-UHFFFAOYSA-N	304.825	3.266	10	20	DGCD	
CSC1CCN(Cc2c(O)cccc2Br)CC1	877663289	NYLUCIFODRCDRA-UHFFFAOYSA-N	316.264	3.482	10	20	DGCD	
CC[C@H](NC[C@@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1	777012296	PCYBNDGKFMKGFQ-UONOGXRCSA-N	304.356	3.371	10	20	DGCD	
O=[N+]([O-])c1c(NCc2c(O)ccc3c2CCCC3)ccnc1F	882029939	QIVUCWOGCQOOQJ-UHFFFAOYSA-N	317.320	3.325	10	20	DGCD	
CC[C@H](NCCCN(C)CCOC)c1cc(Cl)ccc1O	775491622	GFWBLTQLPXPSFH-HNNXBMFYSA-N	314.857	3.055	10	20	DGCD	
CC[C@H](NCc1cn(C)cn1)c1ccc(C(F)(F)F)cc1O	898043723	YYZIACAIHJHULR-ZDUSSCGKSA-N	313.323	3.385	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](C(C)(C)C)C2)cc1	783939538	MYZOXVCKARRTPK-HNNXBMFYSA-N	303.450	3.330	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCc1ccc2c(c1)OCO2	790947164	JXQDYADSXZCBLW-UHFFFAOYSA-N	323.751	3.246	10	20	DGCD	
CC(C)SCCNCc1c(O)cccc1Br	706872496	QOUFSQDSRQEJRH-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
CCC/C=C\C(=O)N1CCN(c2ccc(OCC)cc2)CC1	1328624667	UQKHTRHVHJFOMZ-SREVYHEPSA-N	302.418	3.090	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@H](Cc2ccccc2)C(=O)O)c1O	1610462642	PLDMLGDXDXYYFJ-OAHLLOKOSA-N	319.788	3.140	10	20	DGCD	
C[C@@H]1[C@@H](CNC(=O)NCCc2ccc(N)cc2)CCC[C@H]1C	1576676739	DKTYKJHQEBHYGP-IJEWVQPXSA-N	303.450	3.183	10	20	DGCD	
O=C(O)c1cc(CNCc2cc(Cl)cc(Cl)c2O)c[nH]1	1574945253	QCSSEGLMYHFUGY-UHFFFAOYSA-N	315.156	3.015	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCCn1ccnc1	20506193	DNZCAFXKCVGIMK-UHFFFAOYSA-N	300.189	3.075	10	20	DGCD	
CCC[C@H](CNCc1cc(Br)ccc1O)OC	378689364	HKJAKAVHTWLKDS-GFCCVEGCSA-N	302.212	3.059	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cc(F)cc(F)c2)c1O	104987671	SVNBQSCVCWMGDV-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)c1	103530452	PVUMGILHKJYZGW-CHWSQXEVSA-N	315.369	3.046	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCSC[C@@H]3C)c2c1	172515507	AUHMIQRJYZFNOY-LBPRGKRZSA-N	303.427	3.491	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccccn1	54125741	HTMIBXAPFLGGAG-UHFFFAOYSA-N	311.410	3.481	10	20	DGCD	
COc1ccccc1OCCN(C)Cc1ccc(N(C)C)cc1	51588491	YLRNIQHLSHHOAV-UHFFFAOYSA-N	314.429	3.272	10	20	DGCD	
COc1cccc(CNCc2ccc(N(C)C)cc2C)c1OC	115629319	IZRPZJUUWLITDT-UHFFFAOYSA-N	314.429	3.368	10	20	DGCD	
COc1cc2c(cc1CNCc1cc(C)ccc1O)O[C@@H](C)C2	113319774	CFBDVDIBWVFTPE-ZDUSSCGKSA-N	313.397	3.322	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cccc(O)c1	66700924	GQVOHJLDDADBKG-UHFFFAOYSA-N	314.385	3.220	10	20	DGCD	
Cc1cc(Br)cc(CN2C[C@H](C)OC[C@@H]2C)c1O	124542198	NRYGLPVKANIVOX-QWRGUYRKSA-N	314.223	3.072	10	20	DGCD	
COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1	187059895	GJCRPXHGNTUIIJ-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
Cc1cccc2c(CC(=O)NCc3ccc(N(C)C)cc3)c[nH]c12	124234325	DQALIMQFHKUVRM-UHFFFAOYSA-N	321.424	3.401	10	20	DGCD	
CCNC(=O)c1cccc(NCc2cc(Cl)ccc2O)c1	36952634	XQWAABDZISHZNI-UHFFFAOYSA-N	304.777	3.407	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H]2CCN(CC(F)(F)F)C2)c(O)c1	193503678	FTOANGTWHQKDBA-OLZOCXBDSA-N	316.367	3.235	10	20	DGCD	
CC[C@@H](OC1CCCCC1)C(=O)NCc1cc(OC)ccc1O	133459228	LNOHUHMNQKGCEE-QGZVFWFLSA-N	321.417	3.145	10	20	DGCD	
Cc1cc(C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1	46467445	CDAJXOLEHSQAEU-INIZCTEOSA-N	316.376	3.142	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@H](CCO)c2ccccc2)c1	93442740	PMRONMCRSULKMX-GOSISDBHSA-N	315.413	3.346	10	20	DGCD	
CCCCCCC(=O)NCc1ccc(N2CCOCC2)cc1	97152679	QCFYCKSWNSQLBC-UHFFFAOYSA-N	304.434	3.110	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCO[C@H](C)C1	271584184	RKXHGEVJINUWCG-HUUCEWRRSA-N	320.433	3.129	10	20	DGCD	
CCOc1ccc(O)c(CNc2cccc(N3CCC3=O)c2)c1	280130681	QCTWWXSDTQXOIQ-UHFFFAOYSA-N	312.369	3.140	10	20	DGCD	
Oc1ccc(Cl)cc1CNC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	809782381	REFGWEGHEWXBIH-VDQHWBOFSA-N	307.821	3.219	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H]1CCN(c3ccccc3)C1)CC2	295989330	NPYWSVLNKVUKAC-CRAIPNDOSA-N	308.425	3.496	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1nccn1CC	291598153	GUSKFLABAYESDD-UHFFFAOYSA-N	301.390	3.051	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCO[C@H](C(F)(F)F)C1	806141204	QHADYTIHOYDHAE-HIFRSBDPSA-N	316.367	3.261	10	20	DGCD	
Cc1ccc(F)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1	727090677	CMHBMQZVALTLQJ-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
CCOc1ccc(CNc2ccc(C(F)(F)F)nn2)c(O)c1	811838434	INDZTKOWQVPWKO-UHFFFAOYSA-N	313.279	3.212	10	20	DGCD	
C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C	729506950	ANKMYEAFTSOXDH-CZUORRHYSA-N	301.434	3.057	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](O)C2CCC2)c(C(F)(F)F)c1	825240924	RKIZFHBMZXBRGQ-HNNXBMFYSA-N	316.367	3.022	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC=CCC1	839914136	QUTISUHVBWZUNB-JKSUJKDBSA-N	300.446	3.465	10	20	DGCD	
Oc1ccccc1CN(Cc1ccco1)CC1CCOCC1	732983431	WKERABFRSJKWCN-UHFFFAOYSA-N	301.386	3.414	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1	840110878	VCROUEYJAQTNFZ-HNNXBMFYSA-N	318.461	3.123	10	20	DGCD	
CCc1cccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)c1O	848912245	PFSHASHFMVDGFQ-SFHVURJKSA-N	316.420	3.486	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC(c3ccccc3F)CC2)cc1	843443387	QMNCPQLHTLMFRT-UHFFFAOYSA-N	312.388	3.357	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](CC(=O)O)C2)cc1	840997589	XLTGDCVDVFOQKI-MRXNPFEDSA-N	304.434	3.220	10	20	DGCD	
CCc1cccc(CNCCc2ccn(-c3ccccc3)n2)c1O	848894904	NKKXNPUSUCWAEO-UHFFFAOYSA-N	321.424	3.473	10	20	DGCD	
COC(=O)Cc1ccccc1CN[C@H](C)c1cc(F)ccc1O	848572167	GYOXYNAEKAJJRL-GFCCVEGCSA-N	317.360	3.098	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)CC(F)(F)F)c1	840870835	AHHDFHRTRWRMGR-NXEZZACHSA-N	319.323	3.418	10	20	DGCD	
CCc1cccc(CN2CC[C@H](C3CCN(C)CC3)C2)c1O	848912764	VOOWWQUJXXOKBH-KRWDZBQOSA-N	302.462	3.118	10	20	DGCD	
C[C@H]1CN(c2ccc(CNC[C@@H]3C[C@@H]3C)cc2F)C[C@@H](C)O1	754130939	TWYOMMJYZXIZON-AYDFFVQHSA-N	306.425	3.185	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCCSc2nccs2)C(C)(C)C1	759600976	BRQKYPBQWYIJKT-NSHDSACASA-N	313.492	3.455	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1O	756344178	RPRBBTGQZMJEMQ-SECBINFHSA-N	307.296	3.250	10	20	DGCD	
COc1cc(CN[C@H](CO)CC2CCC2)c(O)c(C(C)(C)C)c1	850281349	IYPAGZWCHSWJRN-HNNXBMFYSA-N	321.461	3.339	10	20	DGCD	
CCO[C@@H](C)c1ncc(C(=O)NCc2cc(C)ccc2O)s1	862759363	CLEIOKMKYHLAGH-NSHDSACASA-N	320.414	3.185	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccc(C)s1	935945754	JKLBIEUXCQHZBS-UHFFFAOYSA-N	324.442	3.497	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2C[C@]23CCOC3)c(C)n1-c1ccccc1	863166276	WIKJDXYMJBUVRD-ICSRJNTNSA-N	324.424	3.137	10	20	DGCD	
C[C@H]1CC2(CCOCC2)CN1Cc1cc(F)c(N(C)C)cc1F	862400024	KRNXQDSTUCYBDP-ZDUSSCGKSA-N	324.415	3.422	10	20	DGCD	
CC(C)C[C@@H](C)N(C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775837448	SRCBKJJVHOJDGK-CVEARBPZSA-N	319.493	3.296	10	20	DGCD	
CC[C@@H](NC[C@@H](COC)OC)c1ccc(Cl)c(Cl)c1O	775546689	KUKFSDHPPNSIOX-JOYOIKCWSA-N	322.232	3.401	10	20	DGCD	
C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)Cc2ccccc21	779489572	QPXUCLZRJJFPTD-JWJUJFCLSA-N	309.365	3.257	10	20	DGCD	
COc1cc(NCc2ccccc2O)ccc1N1CCCC1=O	770518644	YCFDUBYLFFRJQG-UHFFFAOYSA-N	312.369	3.140	10	20	DGCD	
CCC(CC)n1nc(C)cc1C(=O)NCc1ccc(N)cc1	1122536129	RUOJUCCKVNUXST-UHFFFAOYSA-N	300.406	3.065	10	20	DGCD	
Cc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)sc1C	770210824	NRNLBAQKBPEMSS-UHFFFAOYSA-N	315.442	3.290	10	20	DGCD	
C[C@H](N[C@@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1O	783503113	GQNWHHZELUSXGM-YOEHRIQHSA-N	312.413	3.262	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCc2c(Cl)cccc2C1	789982751	DEXMRTUDDABRIO-UHFFFAOYSA-N	321.735	3.089	10	20	DGCD	
CCOC[C@H](O)CN(C)c1ccc(OCc2ccccc2)cc1	781962688	CPNCIFZRFFRFGZ-GOSISDBHSA-N	315.413	3.099	10	20	DGCD	
COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)c(O)c1OC	894140234	BAHIXMHHTCAAGH-GXSJLCMTSA-N	319.323	3.182	10	20	DGCD	
COc1cc(C)cc(CNCc2cccc(OC)c2OC)c1O	894192597	GCMLHAWYPPLBBB-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
C[C@@]1(CCCO)CCCN1Cc1ccc(N2CCCC2)cc1	1329823112	IEVZHACWNKCGQF-IBGZPJMESA-N	302.462	3.414	10	20	DGCD	
CC(C)(C)N1CC[C@H](NCc2ccc(N3CCCC3)cc2)C1	1330303214	XCAPSNSLBAYWOX-KRWDZBQOSA-N	301.478	3.249	10	20	DGCD	
C[C@H]1[C@@H](NCc2ccc(N3CCCCC3)cc2)C[C@H]2CC[C@H]1N2	1576588153	QWEIWHRUVDUAFX-QOJCHSLYSA-N	313.489	3.296	10	20	DGCD	
CCOC1(CN[C@H](C)c2cc(C(=O)O)ccc2O)CCCC1	1596796833	OWELOPXETLRWIJ-GFCCVEGCSA-N	307.390	3.090	10	20	DGCD	
CCCCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1	55877520	QNUCVTOUMCBMGN-UHFFFAOYSA-N	304.434	3.314	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)c(O)c1O	177663299	FIIKGQNSZHYTEK-UHFFFAOYSA-N	315.344	3.350	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cc(F)ccc2F)c1O	104973084	HGDYJJATHZOGFA-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1	179374497	SGQWENLXLXHHPV-KRWDZBQOSA-N	318.461	3.118	10	20	DGCD	
COC(=O)c1oc(CN(C)c2ccc(OC)cc2OC)cc1C	179006477	UUPLXLWIIONLRR-UHFFFAOYSA-N	319.357	3.028	10	20	DGCD	
COc1ccc(N(C)Cc2nccn2CC(F)(F)F)cc1F	177067608	UUYPCAUDWDOHET-UHFFFAOYSA-N	317.286	3.230	10	20	DGCD	
O=C(/C=C/Sc1ccccc1)NCCc1ccc(O)c(O)c1	179685550	PZHQZMQHUJNKAL-PKNBQFBNSA-N	315.394	3.063	10	20	DGCD	
COc1ccc2c(c1)CCCN2C[C@H](O)c1ccc(F)cc1	27960024	DEMVSMPJGRYCNO-SFHVURJKSA-N	301.361	3.321	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C(\C)c2ccc(F)cc2)c1	172042378	BUPNQURIZSZLRB-FMIVXFBMSA-N	315.344	3.260	10	20	DGCD	
COC(=O)c1coc(COc2ccc(N3CCCC3)cc2)c1	178192540	LAHMJFHUKYRKND-UHFFFAOYSA-N	301.342	3.245	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)[C@H](O)c2ccc(F)cc2)c1	185468488	RFLODBQJAXSQFW-FMTVUPSXSA-N	319.376	3.313	10	20	DGCD	
Cc1ccc(C(=O)N(C)CC2(c3ccccc3)CC2)c(O)c1O	186752492	NLZYFFDWKWVDNY-UHFFFAOYSA-N	311.381	3.210	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	188090967	LKERYTKIDPGMTH-CRAIPNDOSA-N	313.445	3.393	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)CN2CCCCC2)cc1	315660653	ORKFZQBRQRXGKO-QGZVFWFLSA-N	303.494	3.497	10	20	DGCD	
COc1cccc(CNC(=O)CCCc2cccs2)c1O	75650708	FEXOUUSMNKPSJO-UHFFFAOYSA-N	305.399	3.101	10	20	DGCD	
CC(C)NC(=O)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1	133850910	UIQYAXILUVXNSJ-INIZCTEOSA-N	317.477	3.242	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccnc(F)c2F)cc1	193515785	WSVNBIKEMNMQMR-UHFFFAOYSA-N	319.355	3.136	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C)CC2)c1	190551755	ALJAQHTYOHGCII-TZMCWYRMSA-N	306.406	3.169	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1CCCN2	325256536	MKBSALNLRSODOA-UHFFFAOYSA-N	323.440	3.383	10	20	DGCD	
C[C@@H](NCCCOC(F)F)c1ccc(Br)cc1O	194034887	HQJWDTFGDGSDQA-MRVPVSSYSA-N	324.165	3.435	10	20	DGCD	
Cc1cccc(CSCC(=O)NCCc2ccc(N)cc2)c1	237642773	BJILITNSTCQITQ-UHFFFAOYSA-N	314.454	3.169	10	20	DGCD	
NC(=O)CCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	255867420	OTQBFBADBZKTKJ-UHFFFAOYSA-N	311.345	3.099	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCc2ccc(F)cc21	255550448	SGGUTEVUHCNJRW-KXFIGUGUSA-N	302.736	3.477	10	20	DGCD	
CCC(CC)c1cc(CNC(=O)NCc2ccccc2O)on1	266526078	INCZNRPQMFPYSX-UHFFFAOYSA-N	317.389	3.283	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)C	268872206	VPOYDWYNIBVJRX-OAHLLOKOSA-N	304.478	3.420	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]2C2CCC2)c1O	278267594	READPIDCULIUAG-CYBMUJFWSA-N	306.362	3.074	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C)c(C)c2O)[C@]12CCCO2	274120553	AJZJCTXAVKGPIK-NOCIGQNYSA-N	319.445	3.386	10	20	DGCD	
COc1cccc(CNC[C@H]2CCC3(CCCCC3)O2)c1O	276643092	RAUSKFWVBQFDKH-OAHLLOKOSA-N	305.418	3.372	10	20	DGCD	
CC[C@@H](NCCCc1cnn(C)c1)c1cccc(Cl)c1O	287710362	ODSHBAZOIMMWIS-OAHLLOKOSA-N	307.825	3.453	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C)c1nnnn1C1CC1	282356563	CYCLRPZMVIXNGJ-ZDUSSCGKSA-N	315.421	3.077	10	20	DGCD	
Cc1c(CNC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)n(C)c2ccccc12	471219254	PKEQDCIHNMSLLV-RPLLJCPNSA-N	308.425	3.395	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1O2	386963598	KNDXXJIRUMAKIA-DQEVTTJGSA-N	300.446	3.332	10	20	DGCD	
CC[C@@H](NCCOC[C@H]1CCOC1)c1cccc(Cl)c1O	806139567	PRPWBNZACDWTJE-SWLSCSKDSA-N	313.825	3.139	10	20	DGCD	
COc1nc(C)cc(C)c1CN(C)c1ccc2c(c1)OCO2	805748226	MGSRPLATDUGMPX-UHFFFAOYSA-N	300.358	3.072	10	20	DGCD	
COCCCCc1cccnc1NCc1cccc(OC)c1O	291040283	GMDOIUNEHODYKB-UHFFFAOYSA-N	316.401	3.377	10	20	DGCD	
C[C@H](NC[C@@H](CO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O	815648713	UONAJKBKEHYNHE-JSGCOSHPSA-N	322.405	3.140	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ncccc1Cl	815797652	ZAPLBGOIKYCPRF-UHFFFAOYSA-N	304.777	3.493	10	20	DGCD	
Oc1ccc(F)cc1CN1Cc2cnn(-c3ccccc3)c2C1	816667988	BKXCSMGYCFHGLW-UHFFFAOYSA-N	309.344	3.233	10	20	DGCD	
O=C(CCNCCCSc1nccs1)Nc1ccccc1	819063315	KHZSPUGIKNCZMI-UHFFFAOYSA-N	321.471	3.244	10	20	DGCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NCCNC1CC1	817953355	LDRPMVIVCWTVBI-LJQANCHMSA-N	310.441	3.408	10	20	DGCD	
CCN(CC)C(=O)c1ccccc1NC(=O)c1cc(O)cs1	823398537	VCNHCPLUBLOEGI-UHFFFAOYSA-N	318.398	3.188	10	20	DGCD	
COc1ccc2c(c1)CCCCN2C(=O)/C=C(/C)c1cnccn1	828118147	ZIYKTXXFAITREK-KAMYIIQDSA-N	323.396	3.258	10	20	DGCD	
O=C1Oc2ccccc2/C1=C/c1ccc(N2CCC(O)CC2)cc1	905071185	QWABJPCVVHASNO-AQTBWJFISA-N	321.376	3.107	10	20	DGCD	
Cn1c(CN[C@H]2CCc3cccc(O)c32)nc2cc(F)ccc21	834654546	OZIQRULYOBEMNS-ZDUSSCGKSA-N	311.360	3.195	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(COC)CCCC2)cc1	837352981	FVMPNXDQDJHKRE-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
CCOc1ccc(C[C@H](C)C(=O)NCc2ccccc2O)cc1	839611727	ISZOSLSHJIVOOI-AWEZNQCLSA-N	313.397	3.286	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cn2)cc1	844258422	WXHANPBWPQNYFB-UHFFFAOYSA-N	323.318	3.096	10	20	DGCD	
Cc1nc(C)c(CCNCc2ccc(N(C)C)cc2C)s1	840934341	OQIBYYVQXWBSPK-UHFFFAOYSA-N	303.475	3.467	10	20	DGCD	
CC[C@@H](C)[C@@H](C)N(C(=O)NCCc1ccc(N)cc1)C1CC1	841957149	FRYJNDZLNFNMLW-ZIAGYGMSSA-N	303.450	3.420	10	20	DGCD	
CCNC(=S)NCc1ccc(N(C)C2CCCCC2)cc1	921270737	IXJDLVGUOOCZFA-UHFFFAOYSA-N	305.491	3.440	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CC(C)(C)OC2(C)C)c1	757630481	KRKAZCCBFXREQZ-NHYWBVRUSA-N	321.417	3.176	10	20	DGCD	
C[C@H](NC[C@H]1C[C@@H](O)C1)c1ccc(N2CCCCC2)c(F)c1	858546067	YHXGIGUSBXVCEI-OFQRWUPVSA-N	306.425	3.238	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@H]2C)cc1	859728081	UUSXALCWCWCVLS-AWEZNQCLSA-N	324.424	3.460	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC(F)(F)F)c1	858294484	NNAWTQJIESCULR-UHFFFAOYSA-N	324.302	3.199	10	20	DGCD	
C[C@@H]1COCCN1Cc1ccc(OCc2ccccc2)cc1O	753533781	CHCYNYCPGYQHNE-OAHLLOKOSA-N	313.397	3.192	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CCN(C3CCCCC3)C1)CCO2	850382738	VXEYEKGNZZHQIQ-QGZVFWFLSA-N	300.446	3.118	10	20	DGCD	
COc1cccc(O)c1CN1CCO[C@@H](c2cccc(F)c2)C1	769306817	CTPCZRDZFBLTLL-GOSISDBHSA-N	317.360	3.113	10	20	DGCD	
COCc1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1OC	865751401	MBXFXBIIYNZTBR-UHFFFAOYSA-N	318.329	3.068	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC[C@@H]2CCCCO2)c1	760905148	JLDBPUYBUZAUDC-HIFRSBDPSA-N	321.417	3.179	10	20	DGCD	
CCOc1ccc(CNCc2ccc3c(n2)CCCC3)c(O)c1	767728493	PWYUXCZHHPDDTO-UHFFFAOYSA-N	312.413	3.355	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c(O)c1	866462898	CQJLXCZNBFQQEG-BPNCWPANSA-N	305.340	3.299	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1F	768235642	BULGCCHBJGPPKX-LJQANCHMSA-N	314.404	3.465	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(C2CCCC2)[nH]n1	779519087	NPZULTXZQQUNAW-VURMDHGXSA-N	313.357	3.130	10	20	DGCD	
COc1ccc(CN(C)Cc2c(C)cccc2O)cc1OC	876534318	BGBOSLOUSPHEPJ-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
COc1ccc(CN[C@@H]2CCN(C(=O)C(C)C)[C@H](C)C2)cc1C	1044472366	URKHBPDQWSAONC-NVXWUHKLSA-N	318.461	3.129	10	20	DGCD	
CCc1cncc(C(=O)NCCCSc2nccs2)c1	789945250	FJRKGIKBPDVBBV-UHFFFAOYSA-N	307.444	3.013	10	20	DGCD	
CC(C)CC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCC1	784086299	UJVRSPILTWTKIR-UHFFFAOYSA-N	320.385	3.430	10	20	DGCD	
NC(=O)N1CCc2ccc(NCc3cccc(Cl)c3O)cc21	787315332	VXRDRTNJWIMDMU-UHFFFAOYSA-N	317.776	3.099	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN(CC1CC1)C1CCC1	793395053	PGYXQLKMBVVNFP-UHFFFAOYSA-N	300.446	3.288	10	20	DGCD	
COc1cccc(C2(C(=O)NCc3ccc(N(C)C)cc3)CC2)c1	794618269	DINRTHCJUGCHOE-UHFFFAOYSA-N	324.424	3.109	10	20	DGCD	
CCN(CC)[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1204321277	IKSFJFSNOSAISS-LJQANCHMSA-N	301.478	3.203	10	20	DGCD	
OCC[C@@H](NCc1c(O)ccc(Cl)c1F)c1cccs1	790971123	QDMGAVXAONZJNL-LLVKDONJSA-N	315.797	3.460	10	20	DGCD	
Cc1csc(C(=O)NCCc2ccc(O)c(O)c2)c1Cl	790794263	PTBMZLALIQVJSG-UHFFFAOYSA-N	311.790	3.094	10	20	DGCD	
CNC[C@@H](C)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	1325743094	JKGGQSGIGYSEPU-HUUCEWRRSA-N	307.457	3.322	10	20	DGCD	
COc1ccc(CNCCCNC(=O)C[C@H](C)C2CC2)cc1C	1177053525	JRAVTMUCUZSQMI-AWEZNQCLSA-N	318.461	3.036	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)[C@H](C)CC)CC2)cc1	1323606062	VZVCXHMTRSFBHK-CVEARBPZSA-N	318.461	3.416	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCC(F)F)ccc21	1337712699	KAWUUVKUXRFGFX-UHFFFAOYSA-N	324.371	3.290	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1F	1331496665	DAFMVCJAYJGWEA-MJEQTWJJSA-N	310.388	3.078	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H]2CCCc3sccc32)cc1	1336860717	YKZYCHGOHUAQTI-CQSZACIVSA-N	301.415	3.207	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H](C2CC2)O1	1344378770	VNAFIBIGFBOXDB-BEFAXECRSA-N	300.446	3.286	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(N2CCCC2)cc1)C(C)C	1341552610	GHFHJAWAAXILPV-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)c1cncc(C(=O)O)c1	1600236010	FEIJNJXQRNVTIW-CYBMUJFWSA-N	313.401	3.005	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2ccccc2C1)c1cc(C(=O)O)ccc1O	1604326291	GNKJTAZBQXQKSU-MLGOLLRUSA-N	311.381	3.299	10	20	DGCD	
C[C@H](NCCc1c(F)cccc1F)c1cc(C(=O)O)ccc1O	1593272756	BBWHFEDCMPOCFQ-JTQLQIEISA-N	321.323	3.262	10	20	DGCD	
CCN1CCCc2cc(CNCCC[C@@H](C)C(=O)O)ccc21	1776875450	CCLXHABLXTZCMA-CQSZACIVSA-N	304.434	3.050	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(C(=O)O)CCC[C@@H]3C[C@H]32)c(C)c1	1776856767	KJXDJWKQIFLXDU-LSBZLQRGSA-N	316.445	3.184	10	20	DGCD	
Cc1cccn2c(CN(C)Cc3ccc(N(C)C)cc3)cnc12	155193549	VCNLLLQUKPGHCP-UHFFFAOYSA-N	308.429	3.341	10	20	DGCD	
Cc1ccc(C)c(NC(=S)NNc2nc(C)cc(C)n2)c1	7521997	GZROPEHFGRXKEF-UHFFFAOYSA-N	301.419	3.024	10	20	DGCD	
CC(C)(C)CC(=O)NCc1ccc(N2CCSCC2)cc1	54035562	NTUZULRTPBDMLE-UHFFFAOYSA-N	306.475	3.292	10	20	DGCD	
COc1cccc(CNC(=O)CCc2ccccc2Cl)c1O	68488927	ADTNFLDRPJRAPJ-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cccc(-n3cccc3)c2)c1	114542209	KZFMLNAJZDYMDJ-UHFFFAOYSA-N	322.364	3.122	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1C	178617698	ZCKRFEJRJRWPCF-ZIAGYGMSSA-N	301.434	3.009	10	20	DGCD	
Cc1cc(C(=O)OCC2CCOCC2)c(C)n1-c1ccccn1	112152377	WWOGCUXVOCWZMW-UHFFFAOYSA-N	314.385	3.073	10	20	DGCD	
CCCCCCNC(=O)NCc1ccc(N2CC=CC2)cc1	125022438	LASKOEMAPCYESW-UHFFFAOYSA-N	301.434	3.442	10	20	DGCD	
COC1CCC(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	125738241	QTIVGEHWWOBEFY-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC2CCCC2)cc1F	303359952	PSCLOXAWLKQIKY-UHFFFAOYSA-N	307.413	3.414	10	20	DGCD	
Cc1ccc2c(c1)nc(CNCc1cc(C)c(C)cc1O)n2C	187577788	DRSBVAQYUISCGJ-UHFFFAOYSA-N	309.413	3.494	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2cccc(F)c2)CC1	180803290	POXJCSJPXDVVOP-FNORWQNLSA-N	313.328	3.056	10	20	DGCD	
Oc1ccccc1CNC1(c2ccc(F)cc2)CCOCC1	74372363	PDZSBTTYWVNEOX-UHFFFAOYSA-N	301.361	3.327	10	20	DGCD	
Cc1ccc([C@@H](C)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c(O)c1	184912675	WPFRTMZGJNHFHX-OWCLPIDISA-N	320.477	3.239	10	20	DGCD	
C[C@H](N[C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(F)cc1O	316334595	CEVZFRPJCBYEIY-LRDDRELGSA-N	305.397	3.493	10	20	DGCD	
Cc1cc(O)c(CN2CCN(c3ccc(O)cc3)CC2)cc1C	42909554	ZPKDLCIERZIQRU-UHFFFAOYSA-N	312.413	3.037	10	20	DGCD	
CC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	46984109	BMYZJRNHYACUDA-UHFFFAOYSA-N	301.434	3.228	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](C)OC2CCCCCC2)c1O	131043925	WWNADGBXBFVPNM-ZDUSSCGKSA-N	321.417	3.145	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)s1	48326848	RFPZCRTWMYJPAS-UHFFFAOYSA-N	302.443	3.183	10	20	DGCD	
CCOC(=O)CC[C@@H]1CCCN(Cc2cc(C)ccc2O)C1	92093940	MZNCVYJXOVAPLB-HNNXBMFYSA-N	305.418	3.256	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C	267790627	VDSYQJOMGFIXJC-HUUCEWRRSA-N	301.434	3.084	10	20	DGCD	
CCOCc1cc(CNC2(C3CC3)CCOCC2)ccc1OC	364071329	YMMUZQYROGNPRR-UHFFFAOYSA-N	319.445	3.281	10	20	DGCD	
COc1cc(C(=O)Nc2cccc(N3CCCC3)c2)ccc1O	272620111	QSRWSSWSPXQNOR-UHFFFAOYSA-N	312.369	3.253	10	20	DGCD	
COCCN(Cc1ccccn1)Cc1cccc(Cl)c1O	289709627	GPTMGUQXXLTUPD-UHFFFAOYSA-N	306.793	3.089	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC[C@](O)(C(F)(F)F)CC1	289814549	SZKVJCCVUWCWCP-CYBMUJFWSA-N	323.742	3.325	10	20	DGCD	
COCC(C)(C)CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	287035102	LZMNJKXRLKHXIR-LBPRGKRZSA-N	310.394	3.404	10	20	DGCD	
O=C1CCc2nc(NCc3ccc(N4CCCC4)cc3)ccc21	807924999	DADPXODRBZWIKG-UHFFFAOYSA-N	307.397	3.423	10	20	DGCD	
CN(C)C[C@@H](NC(=O)c1cc(O)cs1)c1ccc(Cl)cc1	802679837	QXAOAMKZYJMEJJ-CYBMUJFWSA-N	324.833	3.140	10	20	DGCD	
COc1ccc(O)c(CNCCc2nc3ccccc3s2)c1	809727926	CVPWAZYSGZJVQY-UHFFFAOYSA-N	314.410	3.343	10	20	DGCD	
CC[C@H](C)CN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817935026	SYJUKRIZOPXDDY-LBPRGKRZSA-N	317.458	3.434	10	20	DGCD	
C[C@@H]1C[C@H](N2CCCC2)CN1Cc1cc(Cl)c(F)cc1O	816608641	FPDHZYCWPNUNEN-YPMHNXCESA-N	312.816	3.243	10	20	DGCD	
C[C@H](NCCNC1CC1)c1ccc(N2CCCCCC2)cc1	817953582	OPTZAKZKTDMQBR-INIZCTEOSA-N	301.478	3.470	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[C@H](C)COC)cc1	812453773	TUQZDKCBLNKIEX-HZPDHXFCSA-N	320.477	3.410	10	20	DGCD	
C[C@H](NC[C@@H]1CCCNC1)c1cc(Cl)c(Cl)cc1O	817946574	ZWSKCESMLDWQRJ-VHSXEESVSA-N	303.233	3.349	10	20	DGCD	
CO[C@H](C)[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	810174276	QVHXPKSPUUHHNM-ZIAGYGMSSA-N	321.421	3.098	10	20	DGCD	
Cc1ccc(O)cc1C(=O)NCc1ccc2c(c1)CCCN2C	816911619	SEZCQBFUMXTNBZ-UHFFFAOYSA-N	310.397	3.013	10	20	DGCD	
CN(Cc1ccc(Br)cc1O)[C@@H]1CCSC1	824555213	CPFAIHBFECAOBN-LLVKDONJSA-N	302.237	3.092	10	20	DGCD	
Cc1noc([C@@H]2CCCN2Cc2cc(Cl)c(C)cc2O)n1	825899767	DVTFHMOBZHQXCQ-ZDUSSCGKSA-N	307.781	3.383	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cc(C)c(C)cc1O	827751927	YYJWFRDNGAHHSQ-AEFFLSMTSA-N	305.418	3.221	10	20	DGCD	
Cc1cc(O)c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1Cl	826023917	KZFNRBWYERPTQD-SJORKVTESA-N	307.821	3.497	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H]2COC3(CCCC3)O2)cc1Cl	825405064	BVOIBBLWXYPIBO-CYBMUJFWSA-N	311.809	3.129	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H]3[C@@H](CCCN3C)C2)cc1Cl	824933040	ATLPQPPEKUDHKR-BBRMVZONSA-N	308.853	3.270	10	20	DGCD	
CCOCc1cc(CN[C@@H]2CCC[C@H]2OCC)ccc1OC	825284569	QTFYAUYFTPGGPT-SJLPKXTDSA-N	307.434	3.279	10	20	DGCD	
C[C@@H]1CCCN(c2ccc(CN[C@H](C)C(=O)O)cc2Cl)C1	904237772	TVMDKBJAZSYSSA-VXGBXAGGSA-N	310.825	3.139	10	20	DGCD	
Cn1c(=O)c(CN[C@H]2CCc3cccc(O)c32)cc2ccccc21	834806546	DXRGVDICXFOXRW-INIZCTEOSA-N	320.392	3.021	10	20	DGCD	
CCOc1ccc(C[C@@H](C)C(=O)NCc2ccccc2O)cc1	839611728	ISZOSLSHJIVOOI-CQSZACIVSA-N	313.397	3.286	10	20	DGCD	
CC(C)COc1cccc(C(=O)NCc2ccc(O)cc2O)c1	910958799	VDANEQPPOKHBNZ-UHFFFAOYSA-N	315.369	3.063	10	20	DGCD	
CC1CCC(CNC(=O)NCc2ccc(N(C)C)cc2)CC1	919896827	VCRGZYIXUYYGBV-UHFFFAOYSA-N	303.450	3.378	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C2CCC2)C2CC2)c1	836687679	WLGNASRKAMTLHZ-PIGZYNQJSA-N	318.417	3.340	10	20	DGCD	
CCc1cnc(NC(=O)NCc2ccc(N(C)C)cc2C)s1	743220539	XNWRTDSFXALUFI-UHFFFAOYSA-N	318.446	3.402	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)Nc1ccc(C2CC2)nn1	844558301	MDRGXFTUINLAJC-UHFFFAOYSA-N	318.764	3.035	10	20	DGCD	
Cc1ccc(OCCc2nc(Cc3ccc(N)cc3)no2)c(C)c1	843158638	FECOXPWTMYRDMO-UHFFFAOYSA-N	323.396	3.481	10	20	DGCD	
CC[C@H](CCNCc1ccc(N(CC)CC)c(F)c1)C(=O)O	841820847	VPXMUALZLQDUDH-CQSZACIVSA-N	310.413	3.262	10	20	DGCD	
COCCN(Cc1ccc(C)cn1)c1ccc(OC)c(OC)c1	749350224	AEDWVAZTRYEJJK-UHFFFAOYSA-N	316.401	3.060	10	20	DGCD	
Cc1cc(CN[C@H](C)[C@@H](C)C(=O)O)ccc1N1CCCCC1	846228779	OTQDKNNAUDQAGD-HUUCEWRRSA-N	304.434	3.184	10	20	DGCD	
Cc1nc(C2(NCc3ccc(N(C)C)cc3C)CCCC2)no1	840931773	JXBAXUNZLAWYQK-UHFFFAOYSA-N	314.433	3.312	10	20	DGCD	
CCO[C@@H](C)c1noc(CN(C)Cc2cccc(CC)c2O)n1	848888776	BOHMUEAPGLKLMH-LBPRGKRZSA-N	319.405	3.067	10	20	DGCD	
CC(C)C[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1	748819124	CMYWRENXSDVKIF-KRWDZBQOSA-N	303.450	3.473	10	20	DGCD	
CC[C@H](CO)N[C@H](C)c1cc(Br)cc(Cl)c1O	756338997	BCPVKAVVTDUPLE-VXNVDRBHSA-N	322.630	3.230	10	20	DGCD	
CC(C)c1ccc(C(=O)NCc2cc(Cl)ccc2O)nc1	857548633	RLDJEVYRDIWLFJ-UHFFFAOYSA-N	304.777	3.494	10	20	DGCD	
CCCOCCOC(=O)NCc1cc(Cl)cc(Cl)c1O	859159059	BOYMIMQTAXBCIN-UHFFFAOYSA-N	322.188	3.352	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@H]3C[C@H]4CC[C@H]3C4)cc2)CC1	850406692	QHEWWORSOLBJLM-OKZBNKHCSA-N	314.473	3.174	10	20	DGCD	
CCOc1cccc(CN2CCC(CN(C)C(C)C)CC2)c1O	768927216	RIZJDHXPOVFXQF-UHFFFAOYSA-N	320.477	3.343	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H]1c2ccccc2C[C@@H]1O	1116584290	CZLVPKIUZYCLGH-ODPGBAFUSA-N	309.409	3.497	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)cc(F)c1O)CC1(C)OCCO1	877670669	UPUTWHDMQWVSGT-SNVBAGLBSA-N	317.788	3.064	10	20	DGCD	
C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1	779499606	NNKDXTOKZJBZIN-KBNZMGLGSA-N	315.344	3.170	10	20	DGCD	
CCCNC(=O)CN(CCC)Cc1ccc(N2CCCC2)cc1	1116442446	XDURZUXTHYYWSJ-UHFFFAOYSA-N	317.477	3.025	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1[nH]c2ccccc2c1Cl	778925977	RWEHFKFACMAWLS-UHFFFAOYSA-N	316.744	3.163	10	20	DGCD	
CC[C@@H](NCC1(C(N)=O)CCCC1)c1cc(Cl)ccc1O	775506478	AEADNBVHSUYJQF-CYBMUJFWSA-N	310.825	3.132	10	20	DGCD	
C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1c(O)cccc1F	886556727	JAMMURQHAOBKMI-WBMJQRKESA-N	300.377	3.369	10	20	DGCD	
C[C@@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1c(O)cccc1F	886504118	SBYWEMFMQQRSND-GFCCVEGCSA-N	322.424	3.219	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1ccccc1O[C@H]1CCOC1	883042308	SBHWLMBZWFDGQH-ZDUSSCGKSA-N	321.323	3.450	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ccn1	789916138	FSAFNFPMDGRFFF-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
COc1cc(C)cc(CN2CCCC[C@@H]2c2noc(C)n2)c1O	893968881	NAEZECOZJHZNIK-CQSZACIVSA-N	317.389	3.128	10	20	DGCD	
COc1cc(C)cc(CNCc2ccccc2N(C)C)c1O	894393128	RGPJFGYMSUUYNK-UHFFFAOYSA-N	300.402	3.065	10	20	DGCD	
COc1ccc(CN2CCCC[C@H](SC)C2)c(O)c1OC	892233414	QMMDZSBRCKJWMQ-ZDUSSCGKSA-N	311.447	3.127	10	20	DGCD	
FC1(F)CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1	797467951	DBGSKPDBZZWWGY-OAHLLOKOSA-N	310.388	3.048	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)c2ccc3nc(O)oc3c2)c1	796819921	XQVUDKNBELMSOA-JTQLQIEISA-N	314.341	3.098	10	20	DGCD	
C[C@@H]1N(Cc2ccc(Br)cc2O)CCOC1(C)C	708321353	SAEJMIFMEKXSCH-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NOC2CCC2)c1	1329107795	LPSXNVFZTCLNMS-UHFFFAOYSA-N	312.369	3.121	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCSC3(CCCCC3)C2)cc1	1335738161	WTBQHCFFUXEMIQ-UHFFFAOYSA-N	319.474	3.230	10	20	DGCD	
CC(=O)c1ccc(-c2nnc(C3=S=C4CCCC4=C3)o2)cc1	1345737893	YSZLHSYSQPIHQG-UHFFFAOYSA-N	310.378	3.489	10	20	DGCD	
COc1cc(C)c(NCc2ccc(OC)c(OC)c2O)cc1F	1355278503	KPOLNLHHDKOPRQ-UHFFFAOYSA-N	321.348	3.478	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2cncc(C(=O)O)c2)cc1	1603944179	LWIMPMXERIMNHN-UHFFFAOYSA-N	300.358	3.203	10	20	DGCD	
COc1cc(C)cc(CNc2cccc(CCC(=O)O)c2)c1O	1594054611	YZCOUEBPACEBLZ-UHFFFAOYSA-N	315.369	3.339	10	20	DGCD	
CCN1CCc2cc(CNCCCCCCC(=O)O)ccc21	1776877288	JMKHJGQUVUHTKX-UHFFFAOYSA-N	304.434	3.194	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1	152430631	YDUAXUQRACYFKK-HNAYVOBHSA-N	301.478	3.278	10	20	DGCD	
CC[C@@H]1CN(Cc2cccc(Br)c2O)[C@H](C)CO1	403745183	AETAPEVMLNNXNQ-ZYHUDNBSSA-N	314.223	3.154	10	20	DGCD	
CC(C)(O)C(C)(C)CNCc1cccc(Br)c1O	393684367	UQRKECIMNMHEAX-UHFFFAOYSA-N	316.239	3.041	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccccc1O	179873160	VGXHELGWPYDNBC-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@H](CC)c1ccc(N(C)C)cc1	178715993	HRNFUIKKDUHLIW-WMLDXEAASA-N	305.466	3.098	10	20	DGCD	
CC[C@@H](N[C@H](C)C(=O)NCc1ccccc1)c1ccccc1O	183316720	NZTQYPITDRMZCS-RHSMWYFYSA-N	312.413	3.138	10	20	DGCD	
C[C@@H](N[C@H]1CCCOCC1)c1ccc(Br)cc1O	186234894	LERUSRYUCMLIRS-PWSUYJOCSA-N	314.223	3.374	10	20	DGCD	
COc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(F)cc1O)C2	185334500	DRKXQJFMCSPDFW-RISCZKNCSA-N	317.360	3.194	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2ccc(F)c(F)c2)c1	186000877	VRSYIIROIDRUTL-LLVKDONJSA-N	323.339	3.409	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@H](C)c1cc2c(cc1O)CCCC2	186354223	FKEYMZJHMPFOKU-CYBMUJFWSA-N	318.461	3.084	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1CCN(C)c2ccc(F)cc21	186596161	BZMAYAXOIKCYMZ-AATRIKPKSA-N	317.389	3.087	10	20	DGCD	
Cc1cccc(C)c1-n1nnnc1CSc1nccs1	48876613	XNGURVIVWZUFRV-UHFFFAOYSA-N	303.416	3.028	10	20	DGCD	
CCN(C)c1ccc(CNCCCSc2nccs2)cn1	191122383	GKDWLFAMZDPRJL-UHFFFAOYSA-N	322.503	3.266	10	20	DGCD	
CCOc1cccc(CNC[C@](C)(O)C2CCCCC2)c1O	191673596	RAPWUZRPFFQGJT-SFHVURJKSA-N	307.434	3.212	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(C#N)c(O)c2)cc1	190739685	NXLWUJKMEQVLBM-UHFFFAOYSA-N	323.396	3.040	10	20	DGCD	
CCCCOC(=O)CN(Cc1ccco1)Cc1ccccc1O	96970849	VRANRFCILMMDAZ-UHFFFAOYSA-N	317.385	3.331	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2cccc(OC)c2O)C1(CC)CC	236988941	XKQAPYKVJUGZID-HOTGVXAUSA-N	307.434	3.474	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)CCCO)c1C	268690320	RGQJVCFSWDGVAF-CQSZACIVSA-N	314.429	3.293	10	20	DGCD	
C[C@@H](NCc1ncn(-c2ccccc2)n1)c1ccc(N(C)C)cc1	274956690	IBCFFKDNQDTVMX-OAHLLOKOSA-N	321.428	3.184	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=S)NC2CCC2)cc1	814190631	BKMARWUWFAMDHL-UHFFFAOYSA-N	305.491	3.392	10	20	DGCD	
CC(C)CO[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816520148	HNFNSTGRROKXOR-LBPRGKRZSA-N	301.789	3.432	10	20	DGCD	
CO[C@@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1	818536577	NUJMZMYWZADUSD-SFHVURJKSA-N	312.413	3.249	10	20	DGCD	
COc1cc(C)c(C(=O)N[C@H](C)c2ccccc2O)cc1OC	827937278	QLUMUHZHUXWDLZ-GFCCVEGCSA-N	315.369	3.209	10	20	DGCD	
CC1(c2ccccc2)CC(NCc2cc3c(cc2O)OCO3)C1	733326500	HASXNJYZXRNISS-UHFFFAOYSA-N	311.381	3.331	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H](O)c1ccccc1Cl)CC2	834668806	OBXMJKXZIBPUNL-HOCLYGCPSA-N	303.789	3.356	10	20	DGCD	
CCC[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC	834841578	XHRDGKJQTUIUHR-HOCLYGCPSA-N	324.440	3.128	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)cc1	743551709	HUYIJSYHNTYQBH-CALCHBBNSA-N	315.461	3.330	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](CCO)c2ccccc2F)c1	842922803	DTEDZQMNRIIDEX-SJCJKPOMSA-N	319.376	3.314	10	20	DGCD	
COc1cc(C)cc(CN2C[C@@H](C)OC3(CCCC3)C2)c1O	842644917	IXTGDNGTDAZLSE-CQSZACIVSA-N	305.418	3.243	10	20	DGCD	
COC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccc1	846150590	JFJZVCOUUBLYTK-XJKSGUPXSA-N	301.386	3.439	10	20	DGCD	
C[C@H](N[C@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1O	848558309	LGICOAGQZZSTMI-ZBEGNZNMSA-N	314.360	3.135	10	20	DGCD	
COc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1	746813667	YJDNLPDPOLFYDZ-UHFFFAOYSA-N	310.397	3.008	10	20	DGCD	
COC(=O)Cc1ccccc1CN[C@H](C)c1ccc(C)cc1O	848573588	WCEZKFWRQUGJNR-CQSZACIVSA-N	313.397	3.267	10	20	DGCD	
CCC(CC)[C@H](CCNC(=O)NCc1ccccc1O)OC	747403217	IEIOGLSNRSVDJQ-INIZCTEOSA-N	308.422	3.033	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H](C3CCCCC3)C1)[C@@H](O)CO2	853553346	DNUDELYALYGMKL-KDOFPFPSSA-N	317.429	3.220	10	20	DGCD	
COc1cc(CNC[C@@H](O)CC(C)C)c(O)c(C(C)(C)C)c1	850099640	RJELGGVMEIHREX-AWEZNQCLSA-N	309.450	3.195	10	20	DGCD	
C[C@@H](NCc1cccc2c1OCO2)c1cc(F)cc(F)c1O	756462841	YFZCRBXZPKGNTI-SECBINFHSA-N	307.296	3.250	10	20	DGCD	
C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1O	756711867	MUBOJBPTUODVBV-VFZGTOFNSA-N	311.303	3.194	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc([S@@](C)=O)cc2)cc1C	751151896	HULMTVKGVPQETB-OAQYLSRUSA-N	303.427	3.036	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCCS2)c1	753261440	IBWKYHDKWUPEER-DGCLKSJQSA-N	324.446	3.047	10	20	DGCD	
O=Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cs1	769562857	RGBFWPKEGQVSQP-UHFFFAOYSA-N	315.394	3.075	10	20	DGCD	
CN1CCC2(CCCN2Cc2cc(F)c(N(C)C)cc2F)CC1	862334520	OUNOKWVAUBBNOT-UHFFFAOYSA-N	323.431	3.091	10	20	DGCD	
O=C(CCOc1ccc(F)c(Cl)c1)NCc1ccccc1O	769363600	WCJWCNOUCKRTQJ-UHFFFAOYSA-N	323.751	3.270	10	20	DGCD	
CO[C@]1(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)CCOC1	763575589	YJFVLWSWOQXUAN-XPTSAGLGSA-N	320.216	3.155	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1C[C@H](C)Oc2ccccc21	776839125	OVWVLZOCZJWBDO-AEZGRPFRSA-N	300.383	3.279	10	20	DGCD	
Cc1cccc(C[C@H](CO)NCc2ccc(N3CCCC3)cc2)c1	1116720756	DYKYEEDJKLPVFH-HXUWFJFHSA-N	324.468	3.288	10	20	DGCD	
CC(C)CSCCNCc1ccc(N2CCC(O)CC2)cc1	877122367	RCENLSLZOBDJFO-UHFFFAOYSA-N	322.518	3.127	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc2c(c1)N(C(N)=O)CCC2	877484096	XOIBEOIHBHWAJI-UHFFFAOYSA-N	311.385	3.144	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1	773393510	WWYYZWGASMJJIU-WCQYABFASA-N	311.376	3.301	10	20	DGCD	
C[C@H](NC(=O)N1CCOC(C)(C)[C@H]1C)c1ccc(N(C)C)cc1	773626318	SPVPQPWEBKNPFY-UONOGXRCSA-N	319.449	3.023	10	20	DGCD	
C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(N(C)C)cc1	776268650	FDCVQZZKGQCQPD-AWEZNQCLSA-N	311.429	3.310	10	20	DGCD	
C[C@H](NC(=O)NCc1cccc(F)c1)c1ccc(N(C)C)cc1	773188786	OPGFJAQVUQSAQG-ZDUSSCGKSA-N	315.392	3.452	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CO)c2cccc(F)c2)cc1	773832931	TUUDWEOKEIEILP-GOSISDBHSA-N	302.393	3.105	10	20	DGCD	
C[C@H](NC/C(Cl)=C\Cl)c1ccc(N2CCOCC2)cc1	775255052	NTGJQJOIHITBJK-LQELWAHVSA-N	315.244	3.493	10	20	DGCD	
CN(CC[C@@H]1CCCCN1C)Cc1cc(Cl)cc(F)c1O	775717052	QKLGDDRDWJNDTD-AWEZNQCLSA-N	314.832	3.491	10	20	DGCD	
C[C@H](N[C@H](Cn1ccnc1)C(C)(C)C)c1c(O)cccc1F	886509030	XWCOPKKRIAKOCZ-SWLSCSKDSA-N	305.397	3.493	10	20	DGCD	
CC(C)(CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1F	789967553	SAVKLBVGWVRVIU-UHFFFAOYSA-N	321.323	3.084	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2CCO[C@@H](CC(C)C)C2)c1O	894375394	KGRLFYJZQDNBOH-HOTGVXAUSA-N	307.434	3.393	10	20	DGCD	
CCc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1	794760740	WNFHEUQVZMOYBT-UHFFFAOYSA-N	300.358	3.285	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)ccc(O)c1F	798152681	CLSMTQCNDQWFAX-UHFFFAOYSA-N	320.339	3.009	10	20	DGCD	
CN(CCOC(C)(C)C)Cc1cccc(Br)c1O	690116471	XCHHPTWUMXCURT-UHFFFAOYSA-N	316.239	3.402	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](C)CCO)c1	1319341470	OQCSUWDYRLHTFZ-NSHDSACASA-N	320.820	3.248	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)C1SCCCS1	1261371006	BDGCGLZZHIZHIJ-UHFFFAOYSA-N	315.807	3.011	10	20	DGCD	
COc1ccc(CNCc2cc(C(=O)O)ccc2Cl)c(O)c1	1610336304	UILZKPHPIILIIL-UHFFFAOYSA-N	321.760	3.042	10	20	DGCD	
Cc1cc(C)cc(CN[C@H](C)c2cccc(-c3nn[nH]n3)c2O)c1	1591951091	IQSRYUQDXLYXGU-CYBMUJFWSA-N	323.400	3.040	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2C[C@@H](CCC(=O)O)C2)cc1	1776861278	GWTWEESCSNDIDV-IYBDPMFKSA-N	304.434	3.266	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](CC(C)C)C(=O)O)ccc21	1776875774	KUDFNZCCSNYBBP-MRXNPFEDSA-N	304.434	3.048	10	20	DGCD	
COc1cc(Br)cc(CN2CCC(C)CC2)c1O	158846709	QWVHMYRIRUGBCS-UHFFFAOYSA-N	314.223	3.395	10	20	DGCD	
CC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1	153021917	LKWSXOXSCPJTEL-UHFFFAOYSA-N	324.371	3.173	10	20	DGCD	
CCCN(CC1CC1)C(=O)NCCCSc1nccs1	154675079	OABFIWWKWWALBK-UHFFFAOYSA-N	313.492	3.457	10	20	DGCD	
c1ccc2oc(NCc3ccc(N4CCOCC4)cc3)nc2c1	53583210	KKWMNMJWKSZLNW-UHFFFAOYSA-N	309.369	3.277	10	20	DGCD	
COc1cccc(CNC(=O)Nc2nc(C3CC3)cs2)c1O	170791847	NYXUWIPMEIWGLJ-UHFFFAOYSA-N	319.386	3.056	10	20	DGCD	
C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)Cc1ccccc1O	111235931	OUVNTVASHQBXAA-GJZGRUSLSA-N	324.424	3.190	10	20	DGCD	
COc1cc(Cl)cc(CN(C)C[C@@H]2CCCC[C@@H]2O)c1O	184711862	CUXQQIHPRKUCMR-FZMZJTMJSA-N	313.825	3.037	10	20	DGCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1C	189422502	BKTXNOUGKUFMIN-UHFFFAOYSA-N	321.398	3.209	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2ccccc2O)[C@@H]1Oc1ccccc1	186161910	URCUZOJPNNQFTQ-UHOSZYNNSA-N	313.397	3.107	10	20	DGCD	
CN(C)C1(CNCc2ccc(N3CCCCC3)cc2)CCC1	318134195	NUKKJWDXLSEYBQ-UHFFFAOYSA-N	301.478	3.251	10	20	DGCD	
Cn1ccnc1CN1CCCc2cc(OC(F)(F)F)ccc21	76745477	DTADHKQYJXPKSW-UHFFFAOYSA-N	311.307	3.272	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC[C@@H](OC)C3)c2c1	76266333	OTTGFRXTDBBSQE-OAHLLOKOSA-N	301.386	3.165	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C[C@H]3C=CCCC3)CC2)cc1	186058467	SOEPXTDTIHLGRJ-INIZCTEOSA-N	314.429	3.090	10	20	DGCD	
CO[C@@H]1C[C@@H](NCc2cccc(Br)c2O)C1(C)C	227830032	CDVGKJBIKDFXNC-VXGBXAGGSA-N	314.223	3.058	10	20	DGCD	
CSCC[C@@H](C)NCc1cc(Br)ccc1O	130767678	UOGZCXATGOPGEW-SECBINFHSA-N	304.253	3.386	10	20	DGCD	
COC(=O)[C@H]1CC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1	193496432	KHCFRTJZVPRWTF-DLBZAZTESA-N	316.445	3.108	10	20	DGCD	
COc1ccc([C@H](NC(=O)Cc2ccc(N)cc2)C(C)C)cc1	237268922	QSPPTFGYVADLGA-LJQANCHMSA-N	312.413	3.333	10	20	DGCD	
Cc1cc(C(=O)NCC(=O)O)c(C)n1-c1cccc(C(C)C)c1	236806617	JQFVQHVUHWXERE-UHFFFAOYSA-N	314.385	3.032	10	20	DGCD	
C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccc(N2CCCCC2)cc1	249839723	FUBFMVSMGVPDDH-BMGDILEWSA-N	302.462	3.487	10	20	DGCD	
C[C@@H](COCC(F)(F)F)N[C@H](C)c1ccc(N(C)C)cc1	269070739	ZZHMNKSJZJXTKF-NWDGAFQWSA-N	304.356	3.371	10	20	DGCD	
CSC[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	266746322	DUFPDCNXRDWSEA-AWEZNQCLSA-N	323.506	3.424	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)c1ccccc1	279390254	AOBXUJFXNXEGIU-UHFFFAOYSA-N	324.424	3.373	10	20	DGCD	
C[C@H](N[C@H](C)CC[S@](C)=O)c1cc2c(cc1O)CCCC2	273486759	NHVYBQDZANUGEQ-BHVCSQLQSA-N	309.475	3.079	10	20	DGCD	
COCc1nc(CN[C@H](C)c2ccc(F)c(F)c2O)cs1	289911012	UJAPVNRXZLDMLD-MRVPVSSYSA-N	314.357	3.124	10	20	DGCD	
CCOc1ccc(O)c(CNCc2cc(C)cc(Cl)n2)c1	282158469	XPRWOBIXFHUAHT-UHFFFAOYSA-N	306.793	3.438	10	20	DGCD	
CC1(C)CC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	802839685	MKIOQWNSLUPYRG-MRXNPFEDSA-N	317.429	3.336	10	20	DGCD	
O=C(NCc1ccccc1O)NCC1(c2ccc(F)cc2)CC1	299552442	XUVHNIXUYHBESK-UHFFFAOYSA-N	314.360	3.062	10	20	DGCD	
CC(C)CO[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O	807839841	RUGBLVLYUGMBSZ-VIFPVBQESA-N	320.216	3.376	10	20	DGCD	
CC[C@H](SC)C(=O)NCc1cc(Cl)cc(Cl)c1O	807837122	BYURNJQURQEPMQ-JTQLQIEISA-N	308.230	3.457	10	20	DGCD	
COC(=O)c1oc(CNCc2cc(Cl)ccc2O)cc1C	826139628	IZOSAAWTVJNKNN-UHFFFAOYSA-N	309.749	3.023	10	20	DGCD	
CC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](C)O	824921295	IMBIGHRKHQFONS-QMTHXVAHSA-N	304.356	3.020	10	20	DGCD	
C[C@@H](CNCc1ccc(OCc2ccccc2)cc1O)N(C)C	824987824	BOECICNJNOIJNM-HNNXBMFYSA-N	314.429	3.011	10	20	DGCD	
CC(C)[C@H]1C[C@H](CC(=O)N[C@H](C)c2ccccc2O)CCO1	827941741	XNUSRGLPZITQHY-CKEIUWERSA-N	305.418	3.411	10	20	DGCD	
Cc1cc(O)c(CNCc2cccc(N(C)C)n2)cc1Cl	825376150	VLTBPFXQPPBNGU-UHFFFAOYSA-N	305.809	3.105	10	20	DGCD	
Oc1ccc(Cl)cc1CNCc1cccc2c1OCCO2	733332062	YCRUVHKJECYHAD-UHFFFAOYSA-N	305.761	3.107	10	20	DGCD	
COc1cccc(CNC(=O)NCC(C)(C)C2=CCCC2)c1O	838730267	GDKXPNJTYGJBLF-UHFFFAOYSA-N	318.417	3.337	10	20	DGCD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	838485000	ALKLRBAFZDYHDU-IEBWSBKVSA-N	313.445	3.297	10	20	DGCD	
Oc1cccc(Cl)c1CNCCOc1ccc(F)c(F)c1	733327814	BNNVRINCRZAVLE-UHFFFAOYSA-N	313.731	3.492	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](COC)C(C)C)cc1	743636401	FGUMTAFCHOUWTN-KRWDZBQOSA-N	321.465	3.003	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H]2OCCc3ccccc32)c1O	846150980	QYFQLMOCMZLUCR-FZKQIMNGSA-N	313.397	3.365	10	20	DGCD	
COc1ccc(CNC[C@@]2(CC(=O)O)CC[C@H](C)C2)cc1C	841793934	RRGSVDIHKNUPQC-UGSOOPFHSA-N	305.418	3.374	10	20	DGCD	
CCC[C@@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CCO1	843158649	FQDYTIZJRUKZKO-UKRRQHHQSA-N	301.390	3.305	10	20	DGCD	
Cc1ccc(CN(C)Cc2ccc(N3CCCCC3)cc2)nn1	840908240	QTAZXUARQFWQIA-UHFFFAOYSA-N	310.445	3.407	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CC1	852595536	IBLVEPJVBZVXDJ-MRXNPFEDSA-N	301.434	3.057	10	20	DGCD	
C[C@H](NCCN(C)Cc1ccccc1)c1cc(F)cc(F)c1O	756448634	DMDGHRNDIADNOR-ZDUSSCGKSA-N	320.383	3.453	10	20	DGCD	
COCCOC[C@H](C)N[C@H](C)c1ccc2ccccc2c1O	756731517	BZGKGOXSVXDJOA-UONOGXRCSA-N	303.402	3.248	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)CC(C)(C)N)c1C	852841706	OYDPOLDMGBIUCY-UHFFFAOYSA-N	313.445	3.212	10	20	DGCD	
COc1ccc(C)cc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756672829	TXKBCHUAICCSIJ-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
COc1cc(CN2CC[C@H](CN3CCCCC3)C2)c(O)cc1C	768466155	NAQZUZJQSIYFNX-MRXNPFEDSA-N	318.461	3.017	10	20	DGCD	
CC1(CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1	935033659	GBZSROSWPQUUBS-MRXNPFEDSA-N	317.429	3.480	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]2c2cc(C)no2)c(O)c1	768878272	LCZVSQPIAUNZNO-HNNXBMFYSA-N	302.374	3.424	10	20	DGCD	
COc1ccc(O)c(CNCCCCC(=O)OC(C)(C)C)c1	776255756	IAQLMJBZPXOJGV-UHFFFAOYSA-N	309.406	3.002	10	20	DGCD	
CC1CCC(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2O)CC1	879649735	TXJZJNACSMVBOR-PIOWNMBXSA-N	304.434	3.126	10	20	DGCD	
CCOC(=O)C1(NCc2ccc(N(C)C)c(C)c2)CCCC1	1117746239	TUMXDEGUMTUFPI-UHFFFAOYSA-N	304.434	3.027	10	20	DGCD	
CCc1oc(CN[C@H](C)c2ccccc2O)cc1C(=O)OC	877755601	HSALYFAFVYHNNZ-LLVKDONJSA-N	303.358	3.185	10	20	DGCD	
CC(C)(O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	877796716	KOQUSEARFDZZSZ-LLVKDONJSA-N	301.789	3.168	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	773990686	WGCZPKVYECJCSA-VMPCVLLUSA-N	315.442	3.408	10	20	DGCD	
C[C@H](O)C[C@@H](CNCc1cc(F)cc(F)c1O)c1ccccc1	883041395	LDUYVTKOAIICJY-JSGCOSHPSA-N	321.367	3.315	10	20	DGCD	
COc1ccc(CNCc2c(O)cccc2OC)cc1Cl	776251582	MSMPVCXQAZFCHR-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1cnn(CC(F)(F)F)c1	883079697	AKECSSRNTRUKGA-UHFFFAOYSA-N	307.222	3.041	10	20	DGCD	
COc1cc(C)cc(CNc2cccc3c2OCCO3)c1O	894137528	CCRMDUNENYQKQU-UHFFFAOYSA-N	301.342	3.093	10	20	DGCD	
COc1cc(C)ccc1CNCc1cc(C)cc(OC)c1O	894343268	BBJXLRVZEFDMPS-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](Cc2ccccc2)OC)c1O	894874731	VYUBDNPOLJXFKY-QGZVFWFLSA-N	315.413	3.057	10	20	DGCD	
C[C@H](CN[C@H]1CCc2cccc(O)c21)N(C)Cc1ccccc1	390563191	NOAYFQGKWSPEIF-QAPCUYQASA-N	310.441	3.490	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1O[C@H](C)C[C@@H]1C	799881386	LNWAJYMVMQWBOV-DAYGRLMNSA-N	318.461	3.303	10	20	DGCD	
Cc1nc(C(C)(C)NCc2ccc(N3CCCC3)cc2)no1	1318630481	UKVULVAGJRRMNL-UHFFFAOYSA-N	300.406	3.003	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1319797783	RZCAXXTUMILDPA-IYBDPMFKSA-N	319.468	3.055	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccnc(OC)c1	1321424477	YCWKRPGSTGYQNE-UHFFFAOYSA-N	314.385	3.238	10	20	DGCD	
CO[C@H](CN[C@H]1CCc2cccc(O)c21)c1ccc(F)cc1	1324541364	JYLQWXBMHXNUKM-DOTOQJQBSA-N	301.361	3.496	10	20	DGCD	
Cc1cccc([C@H]2CCN(C(=O)NCc3ccc(N)cc3)C2)c1	1357791377	LDJSSNSBFCNGSD-KRWDZBQOSA-N	309.413	3.276	10	20	DGCD	
O=C(O)CCC[C@@H]1CCC[C@H](NCc2c(O)cccc2F)C1	1608709308	LXUCPZCBVMVFPE-STQMWFEESA-N	309.381	3.435	10	20	DGCD	
Cc1cc(CNCc2ccc3c(c2)CCCN3C)ccc1C(=O)O	1600209546	NYRJALTXYQXSFC-UHFFFAOYSA-N	324.424	3.365	10	20	DGCD	
Cc1sc([C@H]2CCCN2Cc2ccc(N)cc2)nc1C(=O)O	1608067224	GKNKSIQEXFOVJM-CYBMUJFWSA-N	317.414	3.069	10	20	DGCD	
Cc1cc(CN[C@@]2(C)CCCC[C@@H]2C(=O)O)ccc1N(C)C	1610460790	FQDIAFJPBJYHKT-QAPCUYQASA-N	304.434	3.184	10	20	DGCD	
CC[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccccc1O	157132426	BWCUMFJKYXLBMI-MRXNPFEDSA-N	313.401	3.187	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1nc(Cl)cs1	877373418	WMKRVTFCZVPCRW-UHFFFAOYSA-N	309.822	3.262	10	20	DGCD	
CCn1cc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)cn1	171805585	HCMUEONQGDXJRL-RIYZIHGNSA-N	312.398	3.294	10	20	DGCD	
C[C@H](c1ccccc1)N(C)C(=O)CN(C)Cc1ccccc1O	109772383	ZMUSEVIFGKCLHB-OAHLLOKOSA-N	312.413	3.044	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccsc1	61361030	JMSDQKPMJMCBPM-CQSZACIVSA-N	302.443	3.436	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H](C)[C@@H]2CCN)c1O	404315968	OEYNQWIIOGITND-RISCZKNCSA-N	312.841	3.004	10	20	DGCD	
CN(C)c1ccc(CNc2cccc([S@](C)=O)c2)cc1F	121930324	YPSIQDBGJRDVIB-OAQYLSRUSA-N	306.406	3.241	10	20	DGCD	
Cc1ccc(O)c(CNc2nnc(Cc3ccc(F)cc3)o2)c1	181694797	YNUODQNKBIJFDJ-UHFFFAOYSA-N	313.332	3.426	10	20	DGCD	
COc1cccc([C@H](O)CN[C@H](C)c2cc(C)ccc2O)c1	185418888	BQQCPPQKMLJQLE-FZKQIMNGSA-N	301.386	3.093	10	20	DGCD	
CC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	75225489	UEMBUYZOXSEBQK-GOSISDBHSA-N	318.392	3.124	10	20	DGCD	
CC[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	128031535	FSVJNOPSABMAFA-INIZCTEOSA-N	313.445	3.394	10	20	DGCD	
CCC1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1	314843758	VQLRZDCAEZXSBM-XQRVVYSFSA-N	304.346	3.319	10	20	DGCD	
C[C@@H](NC[C@H]1CCC(C)(C)O1)c1ccc(N2CCOCC2)cc1	187868948	CPGIAKYEWBANMJ-CRAIPNDOSA-N	318.461	3.131	10	20	DGCD	
CC1CCN(C[C@H]2CCCN(Cc3cc(F)ccc3O)C2)CC1	180001339	VXJMLLBJPZWCBY-MRXNPFEDSA-N	320.452	3.475	10	20	DGCD	
C[C@@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	136827315	XHGLWRRKEDDJNA-ZJUUUORDSA-N	304.217	3.292	10	20	DGCD	
CC[C@@H](C)CC(=O)NC1CCN(c2ccc(OC)cc2)CC1	191039291	PMWZJHFUXZZEPC-CQSZACIVSA-N	304.434	3.216	10	20	DGCD	
COc1ccc(N(C)Cc2cn3cc(C)ccc3n2)c(OC)c1	131826088	LKKSAFAZIWJTML-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1	270869706	JMIDBVGSHZFNFD-HOCLYGCPSA-N	320.433	3.127	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CCC(C2CC2)CC1	368638858	PWDWGBSGLOMTHU-UHFFFAOYSA-N	300.446	3.145	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCC23CCOCC3)c1	282954483	ZITNCIJWLRFBKS-GUYCJALGSA-N	305.418	3.401	10	20	DGCD	
Cc1cc(O)c(CN[C@]2(CO)CCCc3ccccc32)cc1C	282318702	KWYTZXJKJMHDMO-FQEVSTJZSA-N	311.425	3.323	10	20	DGCD	
CC[C@@H](NCc1cccc(N(C)C)n1)c1ccc(F)cc1O	286202112	RISPEJPHNSBQIE-OAHLLOKOSA-N	303.381	3.233	10	20	DGCD	
Cc1nnc(CCN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)s1	810243370	NQQPUMQTCQXDJR-LDYMZIIASA-N	307.394	3.072	10	20	DGCD	
COC[C@@H](C)[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O	812575539	HLZFWLNVGCQVDX-RKDXNWHRSA-N	320.216	3.234	10	20	DGCD	
C[C@H]1C[C@H](NCCc2ccc(N)cc2)CN1Cc1ccccc1	817956088	QJFBETRHANTCJI-JXFKEZNVSA-N	309.457	3.064	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN(C)C2(CO)CC2)cc1	827903569	KGPLOMZWHOIGFP-UHFFFAOYSA-N	316.470	3.341	10	20	DGCD	
C[C@@H](NCCOC1CCSCC1)c1cc(F)cc(F)c1O	903444811	CLCSNKCWYMWOQS-SNVBAGLBSA-N	317.401	3.233	10	20	DGCD	
Cc1cc(O)c(CN2CCN(CC(F)(F)F)CC2)cc1Cl	824541971	LUNZKBLUGWPGDP-UHFFFAOYSA-N	322.758	3.034	10	20	DGCD	
CCCCC[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O	901724581	BNCZYNCPPOEVAY-OZSKJFCKSA-N	304.434	3.389	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2cccc(F)c2)CC1	588407048	POXJCSJPXDVVOP-ALCCZGGFSA-N	313.328	3.056	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1occc1C	839915856	LVDOKCOJBHDREE-AWEZNQCLSA-N	300.402	3.323	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)c1ccc(N(C)C)cc1	832435734	DJLVLLJBAAGCKM-DAXOMENPSA-N	304.434	3.133	10	20	DGCD	
C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CCCC1	674097520	HOUILMOVRNCKIV-ZDUSSCGKSA-N	302.418	3.304	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H]([C@@H]2CCCNC2)C1	843126646	MNOKTBBZQMJAGH-MJGOQNOKSA-N	315.505	3.273	10	20	DGCD	
CC(C)OC[C@@H](O)CN(C)c1ccc(-c2nccs2)cc1	846990874	GDNRVTOFBIIDKJ-HNNXBMFYSA-N	306.431	3.032	10	20	DGCD	
Oc1ccc2ccncc2c1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1	840095848	JFWSTRYPDSNXQW-OALUTQOASA-N	310.397	3.084	10	20	DGCD	
Cn1cc(/C=C(/Cl)c2nc3cc(Cl)ccc3n2C)nn1	741467185	LBCZWIDZEWUEIR-UXBLZVDNSA-N	308.172	3.092	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CCO)c1ccccc1F	843430489	XQSSTAWBYOUMJH-IBGZPJMESA-N	316.420	3.413	10	20	DGCD	
CSCC1(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	845114386	JJSJRLGSFKGBRA-UHFFFAOYSA-N	306.475	3.244	10	20	DGCD	
CC[C@H]1CC[C@@H](C(=O)NCc2ccc(N(CC)CC)cc2)O1	756916767	INVNFPNITXXKEF-IRXDYDNUSA-N	304.434	3.107	10	20	DGCD	
C[C@@H]1C[C@@H](NCCc2ccc(CO)cc2)c2c(O)ccc(F)c21	756788878	FVWAVODJYRPWPN-MLGOLLRUSA-N	315.388	3.404	10	20	DGCD	
O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(O)c1O	758547464	LRVPYKJYUUVOKD-UHFFFAOYSA-N	323.688	3.016	10	20	DGCD	
C[C@@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1c(O)cccc1F	927002618	WJWRTZXLQJEWAB-VXGBXAGGSA-N	324.396	3.191	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])cc1	750861778	HFMNGMCDHVRXGE-UHFFFAOYSA-N	314.341	3.353	10	20	DGCD	
COc1ccc(N2CCCN(c3nc(C)c(C)s3)CC2)cc1	756961659	SJVMXSOVAAPBHF-UHFFFAOYSA-N	317.458	3.485	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN[C@H]1CCc2c[nH]nc2C1	758507674	WSHUKBIDQOCDFD-SFHVURJKSA-N	319.408	3.429	10	20	DGCD	
CC[C@@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O	850555417	IFDJQNHWLGJIII-UKRRQHHQSA-N	304.434	3.080	10	20	DGCD	
CCn1ncc(C)c1NC(=O)c1cc(C)n(-c2ccccn2)c1C	855751463	ANJPIFDVSMRTEH-UHFFFAOYSA-N	323.400	3.266	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)c2cccc(O)c2)c1	934941019	VDGQBASLCOBBCW-RYUDHWBXSA-N	315.369	3.087	10	20	DGCD	
COc1ccc(NCc2ccc(N3CCOCC3)cc2)c(F)c1	864042419	LIDNAXWRNNTRPL-UHFFFAOYSA-N	316.376	3.283	10	20	DGCD	
CCCN1C(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C(=O)[C@@H]1CC	761577304	GBIMFAPVUSMQFR-BBRMVZONSA-N	317.433	3.266	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccccc1O)c1cccc(F)c1F	766561792	ZJCUEXUIMSEMGR-SNVBAGLBSA-N	306.312	3.231	10	20	DGCD	
O=C(CSc1nccc2ccccc12)NCc1ccccc1O	767926637	NGQDYWWICWNIIS-UHFFFAOYSA-N	324.405	3.349	10	20	DGCD	
CC(C)C[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768463347	HJJUMHVQEPPADC-CXAGYDPISA-N	305.418	3.076	10	20	DGCD	
CCOc1ccc(CN(C)Cc2ccc3c(c2)OCO3)c(O)c1	768197391	JQLLGKHTHCYVQA-UHFFFAOYSA-N	315.369	3.152	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2cncn2c1C	1116499712	UTCLUPKMZVVRPU-UHFFFAOYSA-N	323.396	3.401	10	20	DGCD	
C[C@H](NC(=O)N[C@@H](C)c1cccnc1)c1ccc(N(C)C)cc1	776101363	XHCJYGYZOARSAF-KBPBESRZSA-N	312.417	3.269	10	20	DGCD	
Cc1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)c(O)c1O	770501126	CGQTUYMCCCSUHQ-UHFFFAOYSA-N	317.772	3.479	10	20	DGCD	
C[C@H](NC(=O)COC1CCCCC1)c1ccc(N(C)C)cc1	773009805	REEAIQSVALZBAO-AWEZNQCLSA-N	304.434	3.279	10	20	DGCD	
C[C@@H](NCCN1Cc2ccccc2C1)c1c(O)cccc1F	886515471	HWENFRSWIGUMAW-CYBMUJFWSA-N	300.377	3.198	10	20	DGCD	
CN(C)c1ccc(Cn2cc(CCOc3ccccc3)nn2)cc1	881272324	SQCJMDRYIGTCMP-UHFFFAOYSA-N	322.412	3.014	10	20	DGCD	
Cc1ccc(C(=O)OCc2csc(C3CC3)n2)c(O)c1O	783345541	UGQJCWXTNVCYHU-UHFFFAOYSA-N	305.355	3.097	10	20	DGCD	
CCOC[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C	788834730	YCHKGLAAEASJPN-RHSMWYFYSA-N	321.465	3.174	10	20	DGCD	
COc1cc(C)cc(CNc2ccc3c(c2)CCC(=O)N3)c1O	894139900	XUPNMLAHDAEVIJ-UHFFFAOYSA-N	312.369	3.206	10	20	DGCD	
CCc1c[nH]c2ncnc(N[C@H](C)c3cc(OC)ccc3O)c12	892331638	XZVUZAGUQUOBSQ-SNVBAGLBSA-N	312.373	3.408	10	20	DGCD	
Cc1ncsc1CNCc1c(O)cccc1Br	706821513	IHJBKBKDEZKXCE-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C	192691121	NZWSQZBVPWHDDZ-QWRGUYRKSA-N	312.385	3.095	10	20	DGCD	
CC[C@H](C(=O)NCc1ccc(OC)cc1O)c1ccc(F)cc1	794381229	NCWKMYMUTARNJN-INIZCTEOSA-N	317.360	3.350	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H]2CCC[C@H](C)C2)c(O)c1	792903723	KWMYDKYGPLIPLQ-QWHCGFSZSA-N	306.406	3.026	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)OC(C)C)cc1	1318230542	AWDNGMHKGXWFFY-UHFFFAOYSA-N	315.369	3.203	10	20	DGCD	
CC(=O)N1Cc2ccc(N[C@H]3CCc4cccc(O)c43)cc2C1	1328091261	MVWOCQFRHDAXRE-KRWDZBQOSA-N	308.381	3.354	10	20	DGCD	
COc1cc(CN[C@@H]2CC[C@H](OC)C2)c(O)c(C(C)(C)C)c1	1333306563	DOVVWOGLXCLMIK-KGLIPLIRSA-N	307.434	3.355	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21)C(C)C	1344437768	JANMFPYTEUAZDB-LBTNJELSSA-N	318.461	3.341	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N(C)c2cccc3c2CCCN3)s1	1347050092	NAHLFMCMZYOYAI-CMDGGOBGSA-N	313.426	3.486	10	20	DGCD	
Cc1ncccc1/C=C/C(=O)N1CCCc2cc(C(=O)O)ccc21	1605424253	CTHQETBMJMIMMU-VQHVLOKHSA-N	322.364	3.081	10	20	DGCD	
Cc1ccc(CN[C@H]2C[C@]3(CCNC3)Oc3ccccc32)c(O)c1	1579696725	BPVYAXKWNSFKGK-PXNSSMCTSA-N	324.424	3.046	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)cc1F	1599571300	OIWRUCQKBYMGKW-JTQLQIEISA-N	319.332	3.089	10	20	DGCD	
O=C(O)c1ccc(CNCc2cccc(C(F)F)c2)c(O)c1	1777676169	KERQTWHDNGZTNQ-UHFFFAOYSA-N	307.296	3.318	10	20	DGCD	
COc1cc(N(C)Cc2ccc(C)cn2)cc(OC)c1OC	153360982	YRQKMMXGBPZCSG-UHFFFAOYSA-N	302.374	3.052	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cc(F)c2)c1	173130846	VCFSOBAQCFHTHN-LLVKDONJSA-N	303.333	3.339	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)c2cnn(C)c2)c1	173011531	DJAAVDSWCPRNPH-UHFFFAOYSA-N	322.412	3.413	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC23CCCCC3)c1	180565168	AXIJARABQDEPPR-WBMJQRKESA-N	318.417	3.484	10	20	DGCD	
Oc1ccccc1CN(CCc1cccnc1)C[C@H]1CCCO1	172164037	UFCJKIGJVMZHQN-GOSISDBHSA-N	312.413	3.011	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCSC3(CCOCC3)C2)c1	184833052	POTAKHTVNFKSKX-UHFFFAOYSA-N	307.459	3.107	10	20	DGCD	
C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc2ccccc2c1O	192700570	LMQOOHQFTVFWCT-CYBMUJFWSA-N	320.392	3.495	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1ccc(N(C)C)cc1	227689290	SQTGKCDANSEYRX-ZIAGYGMSSA-N	321.465	3.316	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(OC(F)F)cc1	237659160	ADXXGFJMHNPZQZ-NSHDSACASA-N	320.339	3.290	10	20	DGCD	
COc1ccc([C@@H](NC(=O)Cc2ccc(N)cc2)C2CC2)cc1	237257598	IHIAESISJFXJLT-IBGZPJMESA-N	310.397	3.087	10	20	DGCD	
OCC[C@@H](CNCc1c(O)cccc1Cl)c1ccccc1	265867707	LOEMQLZYYIZIOS-AWEZNQCLSA-N	305.805	3.301	10	20	DGCD	
CCN(Cc1ccc(OC)c(OC)c1)Cc1ccccc1O	271268817	LHNWBBMYECZYSD-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
COC[C@@H](CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)OC	272629789	AONVOYZAEZIICG-GOEBONIOSA-N	324.440	3.128	10	20	DGCD	
OC[C@@]1(CNCc2c(O)cccc2Cl)C[C@@H]1c1ccccc1	289957965	VFSJBWPNBOHPRS-QAPCUYQASA-N	317.816	3.301	10	20	DGCD	
C[C@H](NC[C@@H](C)CN(C)C)c1cc(Br)ccc1O	293759969	RZSGMAYRMHFULJ-MNOVXSKESA-N	315.255	3.003	10	20	DGCD	
CN(C)CCN(Cc1ccco1)Cc1cc(Cl)ccc1O	809746425	RQNQYSPVUGJCPZ-UHFFFAOYSA-N	308.809	3.202	10	20	DGCD	
CCO[C@@H]1COCC[C@H]1N[C@H](CC)c1cccc(Cl)c1O	806160474	SASKNTTXHBQXFI-RBSFLKMASA-N	313.825	3.280	10	20	DGCD	
CCCc1[nH]ccc1C(=O)NCc1ccc(N(C)C)c(F)c1	817523566	DGJTZFVMIKTLTE-UHFFFAOYSA-N	303.381	3.102	10	20	DGCD	
CN(C)C1(CNCc2cc(Cl)c(F)cc2O)CCCC1	816530533	LMGLMGPABLEIBV-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNCCCn1cccn1	725845361	ZPXOYKCRTZNENL-UHFFFAOYSA-N	307.397	3.436	10	20	DGCD	
Cc1ccc(CN(CCO)Cc2ccc(N(C)C)c(C)c2)cc1	815090234	IBMAPNJUJKKHMT-UHFFFAOYSA-N	312.457	3.364	10	20	DGCD	
CC1=CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CC1	827661578	BGSKNLWZRFXDEI-QGZVFWFLSA-N	300.446	3.236	10	20	DGCD	
COC1CCN(c2ccc(CN(C)CC(C)(C)OC)cc2)CC1	828041902	YPPOPZXJGJYXCQ-UHFFFAOYSA-N	320.477	3.159	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1ncc(C)s1)CCC2	839656187	IXPFCGBPDRRRIF-UHFFFAOYSA-N	304.415	3.422	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1F	839190757	AINCMLJUCPYLSI-QFBILLFUSA-N	320.452	3.265	10	20	DGCD	
CC[C@H](NC[C@@](C)(O)c1cccc(F)c1)c1ccccc1O	903308614	JUHOJOPPLFIOBH-FUHWJXTLSA-N	303.377	3.480	10	20	DGCD	
CCC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C1CCC1	839193409	YFJFBAUOXWGBGM-ZDUSSCGKSA-N	308.378	3.367	10	20	DGCD	
CCOc1ccc(CN(C)C[C@@H](C)C(=O)OC(C)(C)C)c(O)c1	839192026	GEVGYHZQQCUVQR-CYBMUJFWSA-N	323.433	3.201	10	20	DGCD	
CCO[C@@H](C)c1ncc(C(=O)N(C)Cc2ccccc2O)s1	743311096	CGPPIWSAQMFKOQ-NSHDSACASA-N	320.414	3.218	10	20	DGCD	
CCc1cccc(CN2C[C@@H](C(F)(F)F)O[C@H](C)C2)c1O	848888112	MFWUULZCCXDRKK-MFKMUULPSA-N	303.324	3.106	10	20	DGCD	
C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(Cl)cc1O	841761817	GWEFPGBJMPDOST-OVWNDWIMSA-N	303.855	3.243	10	20	DGCD	
Cn1ncc2c1CCCN(Cc1ccc3ccccc3c1O)C2	840954098	DEVOFCPQPCMNAR-UHFFFAOYSA-N	307.397	3.227	10	20	DGCD	
CCc1ncc(CNCc2ccc(N(CC)CC)c(F)c2)cn1	840897028	NSZWWOWWLYTKRI-UHFFFAOYSA-N	316.424	3.314	10	20	DGCD	
CCC[C@@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCO1	846472953	GYBKROWZLLHXRU-SMDDNHRTSA-N	311.809	3.257	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2COCc3ccccc32)c1O	841891770	UOFNLSXWOIMLIA-HNNXBMFYSA-N	319.788	3.415	10	20	DGCD	
C[C@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(Cl)cc1O	841764112	PDWLNOLZMFENLF-LBPRGKRZSA-N	324.852	3.345	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@H]3CNC[C@H]3C2)cc1	843343147	UEPKZARFZHGCBJ-RCCFBDPRSA-N	301.478	3.011	10	20	DGCD	
COc1cc(O)c(CNC2(C)CCC(F)(F)CC2)cc1OC	753571761	ZOSOGZBYPRGOOA-UHFFFAOYSA-N	315.360	3.467	10	20	DGCD	
CCCN1CC[C@H](CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1	756450214	RCEJVFWOIBZPOC-UMVBOHGHSA-N	306.425	3.401	10	20	DGCD	
C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1cc([N+](=O)[O-])ccc1O	757629706	FSKGFSNVQRZTEW-YGRLFVJLSA-N	308.378	3.297	10	20	DGCD	
Cn1cc(/C=C\C(=O)N(CC2CCCCC2)c2ccccn2)cn1	752862149	LHIJIPVYWXDVDM-KHPPLWFESA-N	324.428	3.442	10	20	DGCD	
C[C@@H](CCCCC(=O)O)NCc1cc(F)c(N(C)C)cc1F	864504739	MLZLUFCRBUVRNR-NSHDSACASA-N	314.376	3.154	10	20	DGCD	
Cc1ncc(CN(C)Cc2cc(F)c(N(C)C)cc2F)s1	862228954	LMWVMHAGQUUYEK-UHFFFAOYSA-N	311.401	3.428	10	20	DGCD	
COc1cc(CN2CCOc3cc(F)ccc3C2)c(O)cc1C	863339195	CNKDLRKCTUZCDH-UHFFFAOYSA-N	317.360	3.243	10	20	DGCD	
C[C@]1(CNCc2cc(Cl)cc(F)c2O)CCO[C@H]1C1CC1	768540592	JMOJNWIXWOTSSZ-JKSUJKDBSA-N	313.800	3.480	10	20	DGCD	
Cc1ccc(C(=O)NC[C@@H](C)Sc2ccccc2)c(O)c1O	770499917	PUZFOFSEUPUIBS-GFCCVEGCSA-N	317.410	3.317	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccncc1Cl	1117507599	QQETWDJBJCFSLF-UHFFFAOYSA-N	309.112	3.177	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NOC3CCCCC3)ccc21	777714902	DGZWVXDEDAGODZ-UHFFFAOYSA-N	317.433	3.133	10	20	DGCD	
CCCCn1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C	779538371	YUERKJRFYCOTQP-VURMDHGXSA-N	315.373	3.055	10	20	DGCD	
C[C@H](N[C@H](CO)[C@H](C)c1ccccc1)c1c(O)cccc1F	886547543	NBKJJMXDPSHKNI-DVOMOZLQSA-N	303.377	3.347	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C1CCC(OC)CC1	780899309	OPFXYQVXLGBWCV-UHFFFAOYSA-N	305.418	3.336	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CC[C@H]2C[C@@H]2C1	1122833557	UYLJIMUARXZEDY-NWDGAFQWSA-N	318.446	3.214	10	20	DGCD	
COc1ccc(CNC[C@@H](C)c2ccccc2)c(O)c1OC	892437835	SPDFDGOUJJKWDJ-CYBMUJFWSA-N	301.386	3.303	10	20	DGCD	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1cc(C)ccc1O	387557963	WREAYZCTYMDSHP-CQSZACIVSA-N	322.449	3.436	10	20	DGCD	
CSCc1cccc(CNC(=O)c2ccc(C)c(O)c2O)c1	783824296	JEQNZDQZRWOSEZ-UHFFFAOYSA-N	317.410	3.199	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CN1C[C@H]2C[C@@H]2C1	895390751	XQMYKJVPPCUAQI-HTQZYQBOSA-N	302.599	3.260	10	20	DGCD	
C[C@H]1CC[C@H](CNC(=O)NCCCSc2nccs2)C1	793104383	QYKYSCUZKZWKKV-RYUDHWBXSA-N	313.492	3.361	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C(C)C)[C@H](CO)C(C)C)c1O	894902658	KHVCWHWVVQFWAH-WBVHZDCISA-N	309.450	3.088	10	20	DGCD	
C[C@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccccc1O	797132153	KQPPVOSFQDDIGI-YEJXKQKISA-N	303.427	3.122	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCC3(CCO3)CC2)c1	799957355	KVZJYPIRDHRKDL-UHFFFAOYSA-N	305.418	3.150	10	20	DGCD	
C[C@@H](NC(=O)c1c[nH]nc1-c1ccoc1)c1ccc(N(C)C)cc1	790035839	MFKVTYAJWRFFEX-GFCCVEGCSA-N	324.384	3.227	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1	1325022427	FDWVVIRQJVSIFL-UXHICEINSA-N	312.457	3.430	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)n1cccc1	1327341387	OECPFPWGTLSWIA-HZPDHXFCSA-N	313.445	3.171	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CC[C@@H](C2CCC2)C1	1340903208	NGQMQMSKFGBPPO-GFCCVEGCSA-N	318.446	3.359	10	20	DGCD	
CC(F)(F)c1cccc(CNCc2ccc(C(=O)O)cc2O)c1	1776446486	JXJUCFGFKJMXNV-UHFFFAOYSA-N	321.323	3.492	10	20	DGCD	
Cn1cccc1C(=O)CSc1ncc(-c2ccccc2)n1C	24975842	NYVBLWCRYBGGAF-UHFFFAOYSA-N	311.410	3.401	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C(C)C)nn1C	175336481	GKWHJKDYGBMQNK-UHFFFAOYSA-N	315.417	3.302	10	20	DGCD	
CCN(Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1O	179888566	RQANLNJIFPYQMX-UHFFFAOYSA-N	303.333	3.282	10	20	DGCD	
COC[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	68968531	KKMWVPLVNYNNTI-CYBMUJFWSA-N	300.402	3.167	10	20	DGCD	
C[C@H](N(C)C(=O)NCc1ccc2c(c1)CCCN2C)C1(C)CC1	176466173	UBEKYIAADVMQSN-AWEZNQCLSA-N	315.461	3.399	10	20	DGCD	
C[C@H](c1cccs1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	180669751	PEPOGYSJZVFRFP-LXSSAFMLSA-N	303.383	3.392	10	20	DGCD	
C[C@H](NCC1(CO)CCC1)c1ccc(N2CCCCC2)cc1	184526079	QAZSEJGLQPDYDZ-INIZCTEOSA-N	302.462	3.490	10	20	DGCD	
CN(Cc1ccc(OC(F)F)cc1)C(=O)Cc1ccc(N)cc1	237104130	GHUUAFNFDNPDBT-UHFFFAOYSA-N	320.339	3.071	10	20	DGCD	
CCCOCc1ccccc1CNC(=O)Cc1ccc(N)cc1	236887866	DPIMZHZWXIDVNQ-UHFFFAOYSA-N	312.413	3.054	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc2ccccc2c1	90662083	BLYIIYKRANBINI-QGOAFFKASA-N	314.344	3.301	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)Cc2cccc(OC)c2O)C12CCC2	92040983	UEIISLANRJOOAC-CVEARBPZSA-N	305.418	3.180	10	20	DGCD	
CCOc1cc(CNCc2ccc(N(C)C)c(F)c2)ccc1O	264936451	DHZCHCSQRHCVNT-UHFFFAOYSA-N	318.392	3.286	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](F)C(F)(F)F	277756468	RZMYHFIUSUZQKW-GFCCVEGCSA-N	306.303	3.002	10	20	DGCD	
COCC[C@H](NCc1cccc(OC)c1O)c1ccc(C)o1	272378690	YEDAXPQTNLVPHE-AWEZNQCLSA-N	305.374	3.170	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2CCO[C@H](C(C)C)C2)c1O	273742784	LZNNNLBFGIQPKJ-KBPBESRZSA-N	313.825	3.347	10	20	DGCD	
CC[C@H](NCCC(=O)N[C@H](C)CC)c1cccc(Cl)c1O	287687592	MYPZPNFQZKPCAP-RISCZKNCSA-N	312.841	3.391	10	20	DGCD	
COc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1	806665029	FXDWLPWMKYBIQF-GFCCVEGCSA-N	314.389	3.039	10	20	DGCD	
C[C@H](CCCCO)N[C@H](C)c1ccc(Br)cc1O	296560263	SFDGIULWMJIURP-GHMZBOCLSA-N	316.239	3.356	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)c2ccsc2)c(O)c1	801066040	JZJCWGFPYMKQFP-SNVBAGLBSA-N	306.387	3.023	10	20	DGCD	
Cc1ccc(CN(CCN(C)C)Cc2cc(C)c(C)cc2O)o1	809735722	QIIGCYFOGXEOFV-UHFFFAOYSA-N	316.445	3.474	10	20	DGCD	
CCCNC(=O)OC[C@H]1CCCCN1Cc1cc(F)ccc1O	809726867	WOGOCWRJJIQKMH-OAHLLOKOSA-N	324.396	3.022	10	20	DGCD	
CCN(C)c1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1	815108472	XGBYBSGBMDVEQU-OAQYLSRUSA-N	324.468	3.456	10	20	DGCD	
CCC(CC)(CNC/C=C/c1ccc(N(C)C)cc1)C(=O)O	818629990	OZAYJEGIKREKPL-BQYQJAHWSA-N	304.434	3.246	10	20	DGCD	
CC[C@H](O)CNCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	819291193	RAYYDUOFQLCQDL-HIFRSBDPSA-N	310.869	3.437	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@]3(CCN(C)C3)C2)cc1F	814178140	DFXSKQGDHWEHEQ-LJQANCHMSA-N	319.468	3.200	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H]3CCC[C@H]4C[C@H]43)C2)cc1	818343188	ZDBCVTHWSVGHJL-ILRDRHFLSA-N	300.446	3.300	10	20	DGCD	
C[C@H](N[C@H]1CCCNCC1)c1cc(Cl)c(Cl)cc1O	817968261	IUMXROXXCSAALO-UWVGGRQHSA-N	303.233	3.492	10	20	DGCD	
CN(C)c1cccnc1CNC(=S)Nc1ccccc1Cl	811709601	CCHUVFRXXFOYKA-UHFFFAOYSA-N	320.849	3.288	10	20	DGCD	
CCCc1nc(C)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)o1	815835139	KZUUVXSJOUQQIL-SNVBAGLBSA-N	318.373	3.141	10	20	DGCD	
Cc1ncsc1CCNCc1c(O)ccc(Cl)c1F	824738765	QTFVREMTGUJEDD-UHFFFAOYSA-N	300.786	3.282	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCCC(=O)C1CC1	825679541	UQACNCPABSOLRB-UHFFFAOYSA-N	303.402	3.280	10	20	DGCD	
C[C@@H](OCCc1ccccc1)C(=O)N[C@H](C)c1ccccc1O	827952010	CNEBXEALUKMAPD-HUUCEWRRSA-N	313.397	3.217	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@H]1NCc1cc(C)c(C)cc1O	827751932	YYJWFRDNGAHHSQ-SJLPKXTDSA-N	305.418	3.221	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2cc[nH]n2)cc1	588405449	RVLGLUCKYIVUFT-WAPJZHGLSA-N	321.336	3.140	10	20	DGCD	
O=C(O)CN(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1O	739796485	GVSDQMYDXDDNDL-UHFFFAOYSA-N	323.751	3.272	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@]12CCCc1ccccc12	910950151	DETHFAQFAAKJDJ-YLJYHZDGSA-N	323.392	3.008	10	20	DGCD	
COc1ccc(N2CCC(NCc3occc3C)CC2)cc1	742369393	DDGIFLXASAPCJJ-UHFFFAOYSA-N	300.402	3.355	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C)c1O	846160269	NPJVSAGMACCBRU-DOMZBBRYSA-N	323.433	3.418	10	20	DGCD	
CC(C)[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1	840761216	UBOBNSKSGVRSBP-KRWDZBQOSA-N	324.415	3.326	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)c2ccccn2)ccc1OC	747852849	LBPSQPPRIMCIGP-AWEZNQCLSA-N	300.402	3.478	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCC[C@H]1F	840257520	CKJXYRHYRSUOJJ-IAGOWNOFSA-N	319.424	3.367	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1O	841763020	TUQFCZOXWIRHNU-MFKMUULPSA-N	318.795	3.426	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](CCO)c1ccccc1F	843430490	XQSSTAWBYOUMJH-LJQANCHMSA-N	316.420	3.413	10	20	DGCD	
CCOC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cn1	758450541	UANNYKMQVDVEDS-UHFFFAOYSA-N	317.364	3.076	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCCCN2C(C)C)c1	756763128	YZRYWCLGIPQEHA-LSDHHAIUSA-N	306.450	3.314	10	20	DGCD	
C[C@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O	850556387	KVKOPSZELDPPGB-RYUDHWBXSA-N	324.852	3.343	10	20	DGCD	
C[C@@H](NCc1cc(C2CC2)nn1C)c1cc(F)cc(F)c1O	927101684	LSZVXFMLIMGVCM-SECBINFHSA-N	307.344	3.132	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H](C)CC(F)(F)F)c1	858540644	KNYQOWKJAFRAJQ-JTQLQIEISA-N	304.312	3.088	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2COc3ccccc3C2)c1	756459793	XIRPCCALCQDVNA-KGLIPLIRSA-N	313.397	3.303	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(CC3CC3)C2)cc1	765873607	OCNZLAROFHONSN-QAPCUYQASA-N	301.478	3.278	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cn1cnc(-c2ccccc2)n1	766342637	YGURIKVUHPFJCU-UHFFFAOYSA-N	320.396	3.364	10	20	DGCD	
C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(F)cc(F)c1O	768237339	JOXGOCVYOZOOOZ-NAMSACQYSA-N	309.356	3.279	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3ccn(C)c3)cc2)CC1	763368227	REQAIQGEGCODQF-UHFFFAOYSA-N	311.429	3.191	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ncccc1N(C)C	1117633508	RZXKSKVKHVRSDY-KGLIPLIRSA-N	311.429	3.500	10	20	DGCD	
C[C@H](NC(=O)NC[C@H]1CC=CCC1)c1ccc(N(C)C)cc1	773622652	HAONAVGMFNJMHW-GJZGRUSLSA-N	301.434	3.469	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C)c(C)s1	770133199	XRNZOADYSNRGEV-UHFFFAOYSA-N	317.458	3.488	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)CCC[C@H]2C)c1O	774905797	RVWQDDWSTQEEHM-NWDGAFQWSA-N	308.378	3.320	10	20	DGCD	
CS[C@@H]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	773337558	AZDVQCFVJUSOJN-DUVNUKRYSA-N	321.490	3.397	10	20	DGCD	
Cc1ccc(NC(=O)COc2ccc(N(C)C)cc2)cc1F	786866297	VJJIJNHPKUYJQL-UHFFFAOYSA-N	302.349	3.218	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCC(=O)C3CC3)c2C)c1	783601981	BBGOKFOSQPYTSJ-UHFFFAOYSA-N	324.424	3.420	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[C@@H](C)C2)c1	793274335	SRRLLBILXMVIEZ-FRRDWIJNSA-N	306.406	3.197	10	20	DGCD	
CCOc1cccc(CNC[C@@H](O)c2ccc(CC)cc2)c1O	796452807	XVFLOSLQZSJMLH-QGZVFWFLSA-N	315.413	3.177	10	20	DGCD	
CCC[C@@H](CNCc1cc(Br)ccc1O)OCC	705288705	AMNULFYHXKLKKH-ZDUSSCGKSA-N	316.239	3.450	10	20	DGCD	
CC(C)(CNCc1cc(Cl)cc(F)c1O)CN1CCCC1	792195113	CNWRVMYBRLWICK-UHFFFAOYSA-N	314.832	3.396	10	20	DGCD	
CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(OC)c(C)c1	1224518497	NNYGOXVZUHDWJU-IAGOWNOFSA-N	318.461	3.321	10	20	DGCD	
CC(C)(C)[C@@H]1CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	1346222368	SGURFBVASPHNBK-KRWDZBQOSA-N	313.445	3.393	10	20	DGCD	
C[C@H](C(=O)O)N(Cc1cc(Cl)cc(F)c1O)C1CCC1	1603199027	UNQJNHLMIPITNU-MRVPVSSYSA-N	301.745	3.012	10	20	DGCD	
O=C(O)c1cnc(SCc2cc3ccccc3oc2=O)s1	1602537551	VASWREKWYOUZIO-UHFFFAOYSA-N	319.363	3.240	10	20	DGCD	
Cc1ccncc1[C@@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1610537071	WTLFYBHOLYARPJ-NWDGAFQWSA-N	300.358	3.206	10	20	DGCD	
COc1ccc(NC(=O)NCc2ccc(N)cc2)c2ncccc12	1579228314	BIBUFKRBOYTOGT-UHFFFAOYSA-N	322.368	3.147	10	20	DGCD	
CC(C)(C)C[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)O	1589752465	XGAJONXBWGWPEN-NSHDSACASA-N	303.761	3.164	10	20	DGCD	
COc1cc(CNC(C)(C)CC(=O)O)c(O)c(C(C)(C)C)c1	1599416303	RXBLHWOPLLELPW-UHFFFAOYSA-N	309.406	3.041	10	20	DGCD	
CCCC[C@H](COC)NC1CCN(c2ccc(OC)cc2)CC1	157415737	YTUQKVUYYQLPBC-QGZVFWFLSA-N	320.477	3.459	10	20	DGCD	
CC(=O)NC[C@H]1CCCN(Cc2cc(C(C)C)c(C)cc2O)C1	67382630	CYQXSEAQVCNYAB-MRXNPFEDSA-N	318.461	3.172	10	20	DGCD	
CC[C@H](C)Oc1cc(C(=O)N(C)Cc2ccccc2O)ccn1	180603067	YYJZAYRDPGNXCH-ZDUSSCGKSA-N	314.385	3.237	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)N(C)CCO3)c1	186458406	LTGDDRKCUAZTFT-GFCCVEGCSA-N	314.385	3.403	10	20	DGCD	
C[S@](=O)C[C@@H](NCc1cccc(Cl)c1O)c1ccccc1	182099807	IJYKAEOPHJBUSM-VFNWGFHPSA-N	323.845	3.255	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2nc(CCC(C)C)no2)c1	182367805	DOJDCKBTJNQAPI-GFCCVEGCSA-N	319.405	3.223	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](O)c2ccc(F)cc2)cc1	75734920	SFRVRNNNIJTKLD-LJQANCHMSA-N	316.420	3.495	10	20	DGCD	
CC(C)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cn1	121340715	QEDVWUUOPWQISO-UHFFFAOYSA-N	315.392	3.340	10	20	DGCD	
COc1ccc(-c2noc(CSc3nccs3)n2)cc1	48874838	LPFBNFSALMFBBH-UHFFFAOYSA-N	305.384	3.494	10	20	DGCD	
Oc1ccccc1CNc1ccc(Cc2nnc3n2CCC3)cc1	191650354	NWPUTNDQJOOFGR-UHFFFAOYSA-N	320.396	3.133	10	20	DGCD	
C[C@H](CN[C@H](C)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C	190038349	HJBWEDGEACTLQP-ZIAGYGMSSA-N	321.465	3.316	10	20	DGCD	
CCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	81203180	BKUWDGSKKWPVFP-LBPRGKRZSA-N	312.360	3.173	10	20	DGCD	
COC[C@H](C)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C	195698541	MIFVMQRDIYTCGH-CYBMUJFWSA-N	314.429	3.415	10	20	DGCD	
Nc1ccc(CCNC(=O)CCc2ccc(Cl)s2)cc1	238124715	AKMSTMMDVMTSJA-UHFFFAOYSA-N	308.834	3.275	10	20	DGCD	
CCN(Cc1ccc(N2CCCCC2)cc1)Cc1cnn(C)c1	92437651	YKVSJBLPTVROEK-UHFFFAOYSA-N	312.461	3.433	10	20	DGCD	
CC[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1	90802146	PMPCZLFWXMCKFL-HKUYNNGSSA-N	324.472	3.467	10	20	DGCD	
CCOc1cccc(CN[C@](C)(CO)C2CCCCC2)c1O	265760644	JRUHUPJTSVZWTL-GOSISDBHSA-N	307.434	3.212	10	20	DGCD	
C[C@@H](NC[C@H]1CCCCO1)c1cc(Br)ccc1O	273299360	AYIBWQMUCMQIKO-ZYHUDNBSSA-N	314.223	3.374	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2sccc2C)c(O)c1	366543039	ZDVXPFIYWUWFCK-UONOGXRCSA-N	317.410	3.191	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2cccc(C(=O)NC3CC3)c2)c(O)c1	273624137	ZXMYCHGFQSLCKK-CQSZACIVSA-N	324.424	3.444	10	20	DGCD	
CCC[C@]1(C)NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	277960627	HXLCQZSIUZZVQH-ZDUSSCGKSA-N	316.188	3.191	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@@H](c3ccccc3OC)C2)c1	371426695	YUUANIZCFRSIBS-CQSZACIVSA-N	313.397	3.399	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C)c1nnnn1C1CC1	282356561	CYCLRPZMVIXNGJ-CYBMUJFWSA-N	315.421	3.077	10	20	DGCD	
C[C@H](NC1CCN(c2nccs2)CC1)c1ccccc1O	281430264	CCNYJEVXBZSCJH-LBPRGKRZSA-N	303.431	3.168	10	20	DGCD	
CCCOc1ccc(C(=O)NCc2ccccc2O)c(OC)c1	295405983	ZYAKEDOMBYGQNL-UHFFFAOYSA-N	315.369	3.120	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)ccc1F	808094568	UXHIBSJRNFROQM-UHFFFAOYSA-N	312.312	3.086	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)COC(C)C)CC2)cc1	800231687	GPHUQHOMTJYTPK-HNNXBMFYSA-N	306.450	3.067	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(OC)n1	290232159	RTWPTFRCVUDWAT-ZDUSSCGKSA-N	315.417	3.016	10	20	DGCD	
C[C@H](NC[C@H](C)CCCO)c1ccc(Br)cc1O	296537950	QUYOPGKLGAKVSK-MNOVXSKESA-N	316.239	3.214	10	20	DGCD	
Cc1ccc(O)c(CN(C)CCCN(C)Cc2ccco2)c1	809717895	CDEKZRRQBFSTAV-UHFFFAOYSA-N	302.418	3.248	10	20	DGCD	
CN(C)CCN(Cc1ccco1)Cc1c(O)cccc1Cl	809745561	BMBNYFMNYKBWRU-UHFFFAOYSA-N	308.809	3.202	10	20	DGCD	
CC[C@@H](NCc1cccc(C(N)=O)c1)c1cccc(Cl)c1O	806129442	FZNYSJYDHSJNSS-OAHLLOKOSA-N	318.804	3.385	10	20	DGCD	
Cc1cccc(NCCNCc2cc(Cl)c(F)cc2O)n1	816563124	LFIFICHPKBLEDV-UHFFFAOYSA-N	309.772	3.090	10	20	DGCD	
O=C(NCc1ccccc1O)C1(c2c(F)cccc2F)CCC1	817550710	YOHRKLDAOWOUJW-UHFFFAOYSA-N	317.335	3.409	10	20	DGCD	
CON1CCC(N[C@@H](C)c2ccc(Cl)c(Cl)c2O)CC1	817588666	QUWPDJSPNNPKAG-VIFPVBQESA-N	319.232	3.375	10	20	DGCD	
CC(C)[C@H](N)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	817958109	HPZIUCQUSHYZHD-WMLDXEAASA-N	307.457	3.450	10	20	DGCD	
Cc1cc([C@@H](C)NCc2cc3c(cc2O)OCO3)ccc1F	824548971	UUIGPPLUZZVJDY-LLVKDONJSA-N	303.333	3.419	10	20	DGCD	
COc1cccc(O)c1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21	824893222	NRADRKIFSKMDMC-CVEARBPZSA-N	317.429	3.182	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1cccnc1N1CCCC1	826899406	MTRBVMOQYCVRJE-UHFFFAOYSA-N	324.472	3.346	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC12CCSCC2	822265396	PJQDTRZTGHEGTR-MRXNPFEDSA-N	318.486	3.244	10	20	DGCD	
CC(C)(C(=O)O)[C@H](NC(=O)c1cc(O)cs1)c1ccccc1	826103205	NZHGTKMBTNYFME-CYBMUJFWSA-N	319.382	3.036	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](C(=O)O)C1	829496559	IPKMVEYXNHXWBM-ZIAGYGMSSA-N	319.401	3.022	10	20	DGCD	
CC[C@]1(C(=O)O)CCCN(Cc2c(O)ccc(Cl)c2F)C1	904400331	GKLXILVPOGEGCH-HNNXBMFYSA-N	315.772	3.262	10	20	DGCD	
COc1cc(F)c(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F	588407809	YNEUHDBPHXRXNU-HYXAFXHYSA-N	321.279	3.037	10	20	DGCD	
C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCC1	837490741	KPAAOELBQMCWOS-RHSMWYFYSA-N	317.429	3.336	10	20	DGCD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccccc1O	748355197	VKDKZWFXMFFWDE-GFCCVEGCSA-N	319.788	3.438	10	20	DGCD	
COc1ccc(N(C)Cc2cc(OC)c(OC)cc2F)cc1	845997957	GTMLTZFLRURNKC-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
Clc1cnc(SCc2nnc3n2CCCCC3)s1	849999129	OIRGWVYXYNMEMJ-UHFFFAOYSA-N	300.840	3.407	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCO[C@H](C)C2)c1	745422183	BXCLIJYRUCWTCH-MRXNPFEDSA-N	312.413	3.263	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C	841756122	RBEOLLGQIJOGTL-QFBILLFUSA-N	320.477	3.235	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NCCc1ccc(N)cc1	841849504	YGKOANMQMJPZSP-HUUCEWRRSA-N	311.429	3.303	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1	840946073	DZOYMFDQMNHWLS-ROUUACIJSA-N	302.462	3.450	10	20	DGCD	
Cc1cc(CN2CC[C@@H](C(=O)O)[C@H]2C)ccc1N1CCCCC1	846282723	ASGAHTDIMMJNNF-NVXWUHKLSA-N	316.445	3.280	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)CC(F)(F)F)c1	840870836	AHHDFHRTRWRMGR-UWVGGRQHSA-N	319.323	3.418	10	20	DGCD	
CCN(CC(=O)N(C)C1CCCCC1)c1ccc(OC)cc1	744392123	UMVCGBFNXILSGP-UHFFFAOYSA-N	304.434	3.313	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)c1cn(C(C)C)nn1	925080674	NZKCECMXZOFSFN-CQSZACIVSA-N	301.438	3.084	10	20	DGCD	
CCOCc1cc(CNC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)ccc1OC	850391889	CQLRLKDHISENJW-LBTBCDHLSA-N	301.430	3.366	10	20	DGCD	
CCC/C=C\C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	752151504	JCYFEULXWFXJBE-LXYJIPTKSA-N	303.402	3.256	10	20	DGCD	
Cc1cc(C)cc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c1	756654448	UOYPYTCVNXJLDY-UHFFFAOYSA-N	312.369	3.107	10	20	DGCD	
C[C@H](N[C@@H]1COc2cc(F)ccc2C1)c1ccc(F)cc1O	850537425	QSWGTAZXLZJTME-HZMBPMFUSA-N	305.324	3.325	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)c2nccn21	858171765	CQDCJOPLTZEZDX-IINYFYTJSA-N	306.360	3.023	10	20	DGCD	
CCOC(=O)/C(=C\c1cnc(C(C)C)s1)c1nccn1C	758428656	FLZXHIRDPSHYGM-WQLSENKSSA-N	305.403	3.104	10	20	DGCD	
CN(C)c1cc(F)c(CNC2(CCO)CCCCC2)cc1F	858149148	ZNIFLGIVJBLXDA-UHFFFAOYSA-N	312.404	3.206	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)NCCCSc1nccs1	752352610	UQVVWOPHRGWIBK-ARJAWSKDSA-N	319.455	3.158	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1cc2c(cc1O)CCCC2	760885975	NDBOGARNYHFYPH-SOVGHPHASA-N	319.445	3.116	10	20	DGCD	
Cc1cccc(CO[C@H](C)C(=O)NCc2cc(C)ccc2O)c1	869410544	LQBAEQNTFZQPMQ-OAHLLOKOSA-N	313.397	3.231	10	20	DGCD	
Cc1nccc([C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1	768942393	ZBIXYDMJIMQCTL-KRWDZBQOSA-N	310.445	3.231	10	20	DGCD	
CCCC1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1	760377852	JSZBASQIEMXWPA-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
Cc1ccc(CNC(=O)[C@H](C)N[C@H](C)c2ccccc2O)cc1	879649222	OHZWCBWDCADBMU-CABCVRRESA-N	312.413	3.056	10	20	DGCD	
COc1ccc(N2CCCN(c3cc(C4CC4)ncn3)CC2)cc1	881832611	BGPKSIDJKZXWPO-UHFFFAOYSA-N	324.428	3.079	10	20	DGCD	
COCCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1	773014980	MCPIMUZKYKHSIW-AWEZNQCLSA-N	304.434	3.137	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc3c(c2)C[C@H](C)O3)SC1=S	899333435	QJLGYRPFJIHXOR-ITTMYVLYSA-N	305.424	3.231	10	20	DGCD	
CN(CC[C@@H]1CCCCN1C)Cc1c(O)ccc(Cl)c1F	792165943	MXUNGWPLUPKLGE-LBPRGKRZSA-N	314.832	3.491	10	20	DGCD	
CC[C@@H](NC[C@@H](CO)Cc1ccco1)c1ccc(F)cc1O	796795958	FSOPGZFDZZFOCR-BLLLJJGKSA-N	307.365	3.016	10	20	DGCD	
O=C(NCCc1csc2ccccc12)c1cccc(O)c1O	790543518	VLWUTVVQOUWLRK-UHFFFAOYSA-N	313.378	3.285	10	20	DGCD	
CC(C)C[C@@H]1CCN(c2nnc(-c3sccc3O)n2C)C1	1338085663	AQPLNUPHXZHGBO-NSHDSACASA-N	306.435	3.122	10	20	DGCD	
CCN(C)c1ccc(CN(C)[C@@H](C(=O)O)c2ccccc2)cc1	1605410772	KKGJXAARXSJEJE-GOSISDBHSA-N	312.413	3.400	10	20	DGCD	
O=C(CSc1ncc(C(=O)O)s1)c1cccc(Cl)c1	1601350837	MDZJHXWBOAKSRW-UHFFFAOYSA-N	313.787	3.470	10	20	DGCD	
N[C@H]1CC=C(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)C1	1580171586	UCEUYCWSAAGSGR-SFHVURJKSA-N	322.383	3.429	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(CC3CC3)C2)cc1	157650950	OCNZLAROFHONSN-CRAIPNDOSA-N	301.478	3.278	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)c2ccc(F)c(F)c2)c1	305775247	NHEWZKNAFXFIJT-QGHHPUGFSA-N	323.339	3.063	10	20	DGCD	
Nc1ccc(NC(=O)c2ccc(F)cc2Br)cc1	22144290	SJWLZFWSGBULDI-UHFFFAOYSA-N	309.138	3.423	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@@H](C)c2ccccc2O)cc1	183568995	SRWVAQSFTSHIFW-SUMWQHHRSA-N	301.386	3.175	10	20	DGCD	
CC(C)=CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	73627387	OGLCEZVVWCBBSK-SFHVURJKSA-N	316.445	3.226	10	20	DGCD	
CC[C@H](CSC)NC(=O)NCc1ccc(N2CC=CC2)cc1	181000619	INUHCYFVUNOKHL-OAHLLOKOSA-N	319.474	3.004	10	20	DGCD	
CCOCc1cc(CNCCCc2nccs2)ccc1OC	76892469	FIWOLVDVRNFANR-UHFFFAOYSA-N	320.458	3.411	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	130683519	XBZAUOYMKZOTHC-NZSAHSFTSA-N	322.408	3.262	10	20	DGCD	
COc1ccccc1CN(C(=O)Cc1ccc(N)cc1)C1CC1	237159482	OCKYSPCIWJSUBI-UHFFFAOYSA-N	310.397	3.011	10	20	DGCD	
COc1cccc(CN2CCO[C@](C)(c3ccccc3)C2)c1O	93341906	QFQCKUCJVSKQQW-IBGZPJMESA-N	313.397	3.148	10	20	DGCD	
Cc1ccncc1CNCc1cc(Br)ccc1O	235816059	XYPOZQUTJXLEAQ-UHFFFAOYSA-N	307.191	3.148	10	20	DGCD	
C[C@H](NC[C@]1(O)CCSC1)c1ccc(N2CCCCC2)cc1	268974879	NISCIBOVVUIAFP-MAUKXSAKSA-N	320.502	3.196	10	20	DGCD	
OC[C@]1(NCc2c(O)ccc(Cl)c2F)CCc2ccccc21	365169230	ISMNAEJUJYGBJS-QGZVFWFLSA-N	321.779	3.108	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H](CO)Cc2ccc(F)cc2)c(O)c1	273513184	SEFOJZSQEYRDAD-CZUORRHYSA-N	303.377	3.094	10	20	DGCD	
COc1cc(Cl)cc(CNCC2(CCO)CCCC2)c1O	273700812	DBXNVEAGGCKUSJ-UHFFFAOYSA-N	313.825	3.087	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)COCC(F)(F)F	282459811	JSTQNVVAMNAOAN-UHFFFAOYSA-N	319.323	3.100	10	20	DGCD	
CN(C)c1ccc(CNCC[C@H](O)c2ccccc2)cc1F	289517212	VDDUVVOUGGWXIU-SFHVURJKSA-N	302.393	3.105	10	20	DGCD	
CN(C)c1ccc(CN2CC(C)(C)[C@@H]2c2nccn2C)cc1F	294706784	DJBSFYQVUBBLJL-INIZCTEOSA-N	316.424	3.208	10	20	DGCD	
C[C@H](NCc1ccc2cnn(C)c2c1)c1cc(F)cc(F)c1O	812736463	BRKIJDLAQQPABO-JTQLQIEISA-N	317.339	3.408	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@H]2CNC[C@@H]2C1)c1cc2c(cc1O)CCCC2	817987537	UCMQDCTWTFDFDN-XDKFSHSGSA-N	314.473	3.310	10	20	DGCD	
CC[C@H](NC[C@@H]1NCCc2ccccc21)c1ccc(F)cc1O	817975042	QELIMCMMCJZYIW-ROUUACIJSA-N	314.404	3.459	10	20	DGCD	
CCCC[C@H](CN)N[C@H](C)c1ccc(Br)cc1O	817963206	SFQIRPQCWJIUTB-ZYHUDNBSSA-N	315.255	3.323	10	20	DGCD	
CC[C@H](N[C@@H]1CCO[C@@H](c2ccnn2C)C1)c1ccccc1O	825045747	KPLOMUULWROGLE-QIIPPGSGSA-N	315.417	3.087	10	20	DGCD	
C[C@@H](NC(=O)CCc1ccc(N(C)C)cc1)c1ccccc1O	827923441	QDQKGBXDAOTNQE-CQSZACIVSA-N	312.413	3.268	10	20	DGCD	
Cc1ccncc1CNCc1cc(Br)cc(C)c1O	824909539	OQOMUGOERSEILL-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
CN(C)c1ccc(/C=C/CN[C@@H](CC(=O)O)C(C)(C)C)cc1	904002277	RHHPILYZBUIEJV-MOEXGYKKSA-N	304.434	3.245	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CN[C@@H](C)c3cn(C)nn3)c2C)c1	903069038	BGCKAYDZLGPXEV-HNNXBMFYSA-N	323.444	3.382	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)c2nc(C)no2)cc1	738299317	NNKWIEGXEFFXFU-ZDUSSCGKSA-N	302.422	3.417	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@H]1CCO[C@H](c3ccncc3)C1)CC2	834895077	XDLXYAVFJGGSSX-JZXOWHBKSA-N	310.397	3.284	10	20	DGCD	
CN1CCCc2cc(CNC(=O)/C=C\c3cccc(O)c3)ccc21	588416298	XQWWKZIBNNRWQT-NTMALXAHSA-N	322.408	3.104	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	914689450	CXQLUEOCSBRKIF-MBGYTDRXSA-N	315.461	3.377	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC12CCC2	839920069	KIQORAMQMRCTJA-RHSMWYFYSA-N	300.446	3.298	10	20	DGCD	
COC1([C@H](C)NCc2cc(Cl)cc(C(C)=O)c2O)CCC1	839658079	ASNPTKGMJIAGIQ-NSHDSACASA-N	311.809	3.295	10	20	DGCD	
O=C(NCCCn1ccc2ccccc21)NCc1ccccc1O	748460932	SNQXJRAYIPLJSD-UHFFFAOYSA-N	323.396	3.236	10	20	DGCD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(O)cc1O	910950466	FTTLFJDTRXLVSQ-NUTKFTJISA-N	321.417	3.088	10	20	DGCD	
CC(C)SCC(=O)NCc1ccc(N2CCCCC2)cc1	742475421	MMAADAYAKWFIKH-UHFFFAOYSA-N	306.475	3.435	10	20	DGCD	
C[C@H](N[C@H]1COc2ccccc2C1)c1cc(F)cc(F)c1O	756494843	OLZTTZMUSCQSBH-GXFFZTMASA-N	305.324	3.325	10	20	DGCD	
CC(C)Oc1cccc(COC(=O)c2cccc(O)c2O)c1	758545711	AFDDVGRAUSNMFO-UHFFFAOYSA-N	302.326	3.242	10	20	DGCD	
COc1cc(CN[C@@H](CCO)C(C)C)c(O)c(C(C)(C)C)c1	850159625	IUUAEPQVIIAWPQ-INIZCTEOSA-N	309.450	3.195	10	20	DGCD	
COc1ccc(CCN[C@H](C)c2ccc(F)cc2O)c(OC)c1	756495380	JPRRIMSBDBSGPK-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2[nH]c(C)nc2C)cc1	856746358	WEBVVRKXZYFFGW-UHFFFAOYSA-N	314.433	3.145	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCOC[C@@H](C)C3)c2c1	753987859	YESQSVUPSQRDMW-ZDUSSCGKSA-N	301.386	3.022	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC(C(C)C)C2)cc1F	753621389	SVKKTEKRVQFEQV-UHFFFAOYSA-N	321.440	3.469	10	20	DGCD	
CCC[C@H](C)N(C)C(=O)NCCCSc1nccs1	759602535	WUIOHHCPGXWPBB-NSHDSACASA-N	301.481	3.455	10	20	DGCD	
Cc1ccccc1OCCNC(=O)N[C@H](C)c1ccccc1O	868125769	HMGKDJGFLXPRFA-CQSZACIVSA-N	314.385	3.140	10	20	DGCD	
COc1cc2c(cc1NCc1c(C)cccc1O)NC(=O)CC2	877381997	LXSZVEPQAXJXSH-UHFFFAOYSA-N	312.369	3.206	10	20	DGCD	
Cc1ccccc1CN(C)C(=O)CN[C@H](C)c1ccccc1O	879648779	DLBAELGFDIWWKH-OAHLLOKOSA-N	312.413	3.010	10	20	DGCD	
CCOC(=O)C1(N(C)Cc2cc(F)ccc2O)CCCCC1	779023513	SMKNAOJZIXZQIG-UHFFFAOYSA-N	309.381	3.229	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1	778919992	SFLABTHULARKFL-SNVBAGLBSA-N	305.761	3.171	10	20	DGCD	
CC[C@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])c(OC)c1O	775063295	PMSANFAREZVVSX-SECBINFHSA-N	322.283	3.130	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1CCN(C2CC2)c2cc(F)ccc21	775230463	ATJOVZRIIRFPDP-FPYGCLRLSA-N	323.371	3.250	10	20	DGCD	
Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	773089069	RBRRAVDUEUAJCN-GFCCVEGCSA-N	324.471	3.162	10	20	DGCD	
Cc1ccc(O)c(CN2CCc3c(ncn3-c3ccccc3)C2)c1	779143692	NKDKBEADRCYZRV-UHFFFAOYSA-N	319.408	3.445	10	20	DGCD	
Cc1cc(Cn2cc(COc3ccc(N)cc3)nn2)c(C)s1	881276128	VEMVZFMRYDCVAQ-UHFFFAOYSA-N	314.414	3.166	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](C(C)(C)C)C2)cc1	783939540	MYZOXVCKARRTPK-OAHLLOKOSA-N	303.450	3.330	10	20	DGCD	
CCc1nnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)s1	784135017	RODGHANTPINQOV-UHFFFAOYSA-N	316.474	3.331	10	20	DGCD	
C[C@H]1C[C@H](NCc2cccc(Br)c2O)CS1	397957509	ZVAHSWBVYLVEAB-WPRPVWTQSA-N	302.237	3.138	10	20	DGCD	
CC[C@H]1CCC[C@H](NC(=O)NCc2ccc(OC)cc2O)C1	792957061	OPYKFKFGHROAOD-JSGCOSHPSA-N	306.406	3.169	10	20	DGCD	
COc1ccc(CNC(=O)c2cccc(Cl)c2F)c(O)c1	794378769	DGGRJRXLQSXISO-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CCCC(=O)N1C[C@H](NCc2ccc(OC)c(C)c2)C(C)(C)C1	995338566	HSEZQFVYBGCYRN-KRWDZBQOSA-N	318.461	3.130	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1cc(C(=O)O)ccc1O)c1ccccc1	1606679245	AYPMPCKJOVEYLU-SJCJKPOMSA-N	315.369	3.129	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[C@H](C)NC1	1579674068	MMVGEBAKVSBBKG-FZMZJTMJSA-N	317.458	3.026	10	20	DGCD	
Nc1ccc(NC(=O)N[C@H](Cn2ccnc2)c2ccccc2)cc1	1580449681	RLUGLVGYHADNMB-QGZVFWFLSA-N	321.384	3.028	10	20	DGCD	
Oc1c(Br)cccc1CNC[C@H]1CCCSC1	384174722	VDXOJAOEMFUHRK-SNVBAGLBSA-N	316.264	3.388	10	20	DGCD	
Cc1ccccc1SCC(=O)NCc1ccc(N(C)C)cc1	8171194	JCERQJYLKMPLBU-UHFFFAOYSA-N	314.454	3.470	10	20	DGCD	
Cc1cc(C(=O)N(C)[C@H](C)CN)c(C)n1-c1cccc(Cl)c1	179201556	GATONUJCYXMNAZ-GFCCVEGCSA-N	319.836	3.167	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2Cc3ccccc3C2)cc1F	106336413	MTCUWCWGTPPADM-UHFFFAOYSA-N	313.376	3.117	10	20	DGCD	
Cc1cccc(CN2CCCN(C(=O)c3ccccc3)CC2)c1O	179725301	QQCITZFKLWSMAT-UHFFFAOYSA-N	324.424	3.049	10	20	DGCD	
CCCc1cc(NCc2ccc(N(C)C)cc2C)n2ncnc2n1	115521886	BRIAOBPZZNICBA-UHFFFAOYSA-N	324.432	3.063	10	20	DGCD	
COc1ccc(N2CCCN(c3ccncc3Cl)CC2)cc1	301543171	WBLBDUIWWBNATI-UHFFFAOYSA-N	317.820	3.460	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN(C[C@H]2CCOC2)C2CC2)c1	123777211	FUESMJNXINTTJV-CYBMUJFWSA-N	319.445	3.396	10	20	DGCD	
CC[C@H](C)OCC(=O)NCc1ccc(N(CC)CC)c(F)c1	129237645	CBJUMGLRTIDJQQ-ZDUSSCGKSA-N	310.413	3.103	10	20	DGCD	
Cc1cc(NCc2ccc(N(C)C)c(F)c2)ncc1[N+](=O)[O-]	74744716	FOWMKSRNTBMPLW-UHFFFAOYSA-N	304.325	3.115	10	20	DGCD	
COc1ccc(CNC[C@@H](c2cccs2)N(C)C)cc1C	35052639	DHTCWNJMXSRZTN-HNNXBMFYSA-N	304.459	3.458	10	20	DGCD	
Oc1ccc(F)cc1CN1CC[C@H](Oc2cccc(F)c2)C1	183210249	OTCXQXHCMNGMAN-INIZCTEOSA-N	305.324	3.324	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1O	185512120	JVHXTRLAOKJKGO-SOCHQFKDSA-N	324.273	3.462	10	20	DGCD	
CCOC(=O)[C@H](NCc1cc(C)c(C)cc1O)c1ccccc1	194743908	WOEJZHHVOCBWAV-GOSISDBHSA-N	313.397	3.403	10	20	DGCD	
NCc1ccc2c(c1)CCCN2C[C@H]1CCOc2ccccc21	322470724	KVPLEDKWFMMJMX-QGZVFWFLSA-N	308.425	3.464	10	20	DGCD	
Cc1c(CNc2nccnc2C(F)F)n(C)c2ccccc12	340936994	XQKMKSVJNZYDHL-UHFFFAOYSA-N	302.328	3.826	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cn1	265446413	MNNDCAGOUFSIGX-UHFFFAOYSA-N	317.820	3.463	10	20	DGCD	
CCCOc1ccc(CNC[C@](C)(O)c2cccs2)c(O)c1	265819186	XOQMYDWGKQEIRV-KRWDZBQOSA-N	321.442	3.240	10	20	DGCD	
C[C@H](NC[C@@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1	279687309	ANTJLRKOXZHSIT-KBPBESRZSA-N	324.465	3.066	10	20	DGCD	
CCOc1cccc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O	374159690	MFUINNOVCCRLKW-KBRIMQKVSA-N	305.418	3.084	10	20	DGCD	
CCN(Cc1ccncc1)Cc1cc(Cl)cc(OC)c1O	289143809	ANHMANPAQWKQQN-UHFFFAOYSA-N	306.793	3.471	10	20	DGCD	
CN(C)c1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1	289914338	RVBDFNOSNDGBPX-WOJBJXKFSA-N	310.441	3.008	10	20	DGCD	
CC[C@H](NCCCN1CCCO[C@H](C)C1)c1ccc(C)cc1O	280233403	VKSXAKOCNDAMPZ-AEFFLSMTSA-N	320.477	3.242	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNc1ncnc2nccnc12	806557862	KLGSBJKVWCSYCY-UHFFFAOYSA-N	322.155	3.044	10	20	DGCD	
CON(CC(C)(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807142182	ZZJOEXIYFNIIRJ-ZDUSSCGKSA-N	307.438	3.433	10	20	DGCD	
CCOCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800050277	RLSXVPYDEBXKJT-CYBMUJFWSA-N	324.852	3.229	10	20	DGCD	
C[C@H](NCCC1=CCNCC1)c1cccc(C(F)(F)F)c1O	817985705	MYGBCFPWVZGRRH-NSHDSACASA-N	314.351	3.371	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H]3C[C@H](C)O[C@H](C)C3)C2)cc1	818222791	VZKRNAGTOLHHCC-VVLHAWIVSA-N	318.461	3.067	10	20	DGCD	
CN(C)[C@@H]1CCC[C@@H](NCc2cc(Cl)c(F)cc2O)C1	816554814	JRVSQAMWKUHYON-VXGBXAGGSA-N	300.805	3.147	10	20	DGCD	
COc1cccc(CNCc2ccnc(Cl)c2Cl)c1O	811506881	IQHKKAIQXAUXQS-UHFFFAOYSA-N	313.184	3.392	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2CN2CCCC2)ccc1N(C)C	815033706	QIRYKIDPQOJKDC-GOSISDBHSA-N	301.478	3.121	10	20	DGCD	
CCNCCCN[C@H](CC)c1cc(Br)ccc1O	817943112	IRKHNAYPWYXZME-CYBMUJFWSA-N	315.255	3.195	10	20	DGCD	
C[C@@H](NC(=O)[C@@]1(C)CCOc2ccccc21)c1ccccc1O	828539302	KQCOOWXYILVIFD-YJYMSZOUSA-N	311.381	3.310	10	20	DGCD	
CC[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1O	825142473	SHFQTPJLDGVZFE-LRDDRELGSA-N	323.400	3.374	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)CC1(SC)CCC1	822511558	IJFIWUULWGRLNF-UHFFFAOYSA-N	323.458	3.043	10	20	DGCD	
O=C(O[C@H](C(=O)C1CC1)c1ccccc1)c1cc(O)cs1	820362912	JFKDSZXHZMUPFC-HNNXBMFYSA-N	302.351	3.331	10	20	DGCD	
CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2)s1	820685253	CIWYBCMVLNBPCB-UHFFFAOYSA-N	322.411	3.051	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)C[C@](C)(O)c1ccccc1	822515972	GOQTXUTWZNBRFU-KRWDZBQOSA-N	305.805	3.385	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N(C2CCCC2)C2CC2)cc1	739927440	XGNBWPISOXDXKF-UHFFFAOYSA-N	316.445	3.455	10	20	DGCD	
CCC1(CC)CN(C(=O)NCCCSc2nccs2)C1	838517642	ZCCASCSKIUZCNV-UHFFFAOYSA-N	313.492	3.457	10	20	DGCD	
COC(=O)c1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cs1	839563180	HORGDPMMTQPTFG-GFCCVEGCSA-N	318.442	3.452	10	20	DGCD	
Cc1cc(CN2C[C@H](O)C[C@H]2c2ccccc2)ccc1N(C)C	839638306	ZMWCKTOKFRDRGB-QUCCMNQESA-N	310.441	3.369	10	20	DGCD	
CC[C@H](NC[C@H]1CCOC[C@@H]1OC)c1cccc(Cl)c1O	834880704	OEARSWVGDCYVLJ-UGFHNGPFSA-N	313.825	3.138	10	20	DGCD	
CC[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCCCC1	841774505	DWBJTMHZCBMYBN-KRWDZBQOSA-N	303.450	3.469	10	20	DGCD	
CCS[C@H](C(=O)NCc1cc(Cl)ccc1O)C(C)C	846472380	JBIMXVFLERSLPM-ZDUSSCGKSA-N	301.839	3.440	10	20	DGCD	
CC(C)N1CC[C@@H](N(C)Cc2cc(C(C)(C)C)cc(O)c2O)C1	840151508	GTKWPPDHYSMNMM-MRXNPFEDSA-N	320.477	3.310	10	20	DGCD	
C[C@H](O)CCN[C@@H](C)c1cc(Br)cc(Cl)c1O	756573921	SZBKKUVMIWZDCE-YUMQZZPRSA-N	322.630	3.230	10	20	DGCD	
COc1cc(CN[C@H](CCO)C(C)C)c(O)c(C(C)(C)C)c1	850159626	IUUAEPQVIIAWPQ-MRXNPFEDSA-N	309.450	3.195	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NCC2(C)CC2)C2CC2)cc1	753020272	HSXAMOQWJGVYNL-UHFFFAOYSA-N	301.434	3.227	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(C=O)c1	754968691	PLFCCZOUCRFHKZ-UHFFFAOYSA-N	316.426	3.289	10	20	DGCD	
COC[C@@](C)(NCc1ccc(N(C)C)c(C)c1)C(F)(F)F	852717786	JPOYOCRYGXCYQG-CQSZACIVSA-N	304.356	3.118	10	20	DGCD	
CCOc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1	857547286	XQCQFIFITGUUGN-UHFFFAOYSA-N	305.761	3.374	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C(F)(F)F)CCC1	935946069	WEYGVNJXVKPMJM-UHFFFAOYSA-N	322.323	3.227	10	20	DGCD	
c1ccc2nc(CNCCCSc3nccs3)cnc2c1	862281737	UNVDFLQAEVHBRC-UHFFFAOYSA-N	316.455	3.358	10	20	DGCD	
CCO[C@@H](CCNC(=O)N[C@H](C)c1ccccc1O)C(C)C	868328500	HEFKWUYKDDRPGW-CJNGLKHVSA-N	308.422	3.204	10	20	DGCD	
C[C@@H](NC(=O)NCCc1ccc(Cl)nc1)c1ccccc1O	868400560	KKJWPRAZQMFKDP-LLVKDONJSA-N	319.792	3.044	10	20	DGCD	
COc1cccc(O)c1CN(C)C[C@H]1OCCc2ccccc21	769022278	KFDMWZYBPLIYKR-LJQANCHMSA-N	313.397	3.147	10	20	DGCD	
COc1ccc(CN(C)Cc2cccc(OC)c2O)cc1OC	768168296	IBZSMIJVZMQXKY-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCC[C@H](F)C2)c1O	1118202006	NFFPSHDVMHLUOF-QWRGUYRKSA-N	302.733	3.324	10	20	DGCD	
CC[C@H](N[C@H]1CCN(C(C)C)C1=O)c1cc(Cl)ccc1O	775523886	NSYSIIJJPYAWLF-KBPBESRZSA-N	310.825	3.096	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)N1CCCc2ccccc21	879649720	SWXCBDMROIEUPZ-HUUCEWRRSA-N	324.424	3.411	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C)CO[C@H]2CCOC2)cc1C	873074267	KSICRADSPSCWDT-RDJZCZTQSA-N	307.434	3.067	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCC[C@@H](C)C1	773748257	IPMWGGRSQVBHHR-HZSPNIEDSA-N	305.418	3.361	10	20	DGCD	
CCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C[C@@H]1C	1044422693	TUSIWMKSYIDVGH-DOTOQJQBSA-N	318.461	3.273	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1	877460262	RZOICYULMLINGS-IUODEOHRSA-N	317.351	3.274	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H](CCO)C(F)(F)F)cc1	886801213	JTQSAMPCJRLTSB-BXUZGUMPSA-N	304.356	3.107	10	20	DGCD	
COc1cccc(CCN[C@@H](C)c2c(O)cccc2F)c1OC	886507779	YDWASZYMHYJEGN-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)C[C@@H](C)O	783630837	KZURZIXLLWKUJX-GXFFZTMASA-N	306.431	3.045	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)C(=O)OCC(C)C)cc1	789576106	AROFNQZPPGENGD-HNNXBMFYSA-N	306.450	3.210	10	20	DGCD	
OC1CCN(c2ccc(CNC3CCCCCC3)cc2)CC1	76275594	XHVPHFWWNDAMKQ-UHFFFAOYSA-N	302.462	3.460	10	20	DGCD	
CSc1ccccc1CN(C)C(=O)c1cccc(O)c1O	792541705	BGIYFBFHZIAVNL-UHFFFAOYSA-N	303.383	3.092	10	20	DGCD	
CCC[C@H](CCO)CNCc1c(O)cccc1Br	706829232	SCMDJOVUVBEUBQ-LLVKDONJSA-N	316.239	3.043	10	20	DGCD	
C[C@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc(F)cc1O	797131401	GBRRZZIMBCFZDQ-YTEVENLXSA-N	321.417	3.261	10	20	DGCD	
CC[C@H](C)CCC(=O)NCCCNCc1ccc(OC)c(C)c1	1168961433	JYYVNAWYBKGZFW-HNNXBMFYSA-N	320.477	3.426	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCC(=O)CC1	1333460347	CFXNZJCLESGJJI-UHFFFAOYSA-N	316.426	3.397	10	20	DGCD	
CO[C@H](CN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21)C(F)(F)F	1254729763	LYSIGILZGIIIJR-JFGNBEQYSA-N	303.324	3.416	10	20	DGCD	
Cc1cnc(C(=O)Nc2c(Cl)ccc3nonc23)c(C)c1	1336039806	UBHNTBDCSQMASO-UHFFFAOYSA-N	302.721	3.140	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)Nc2cccc(C#N)c2)cc1	150734213	NKWYYLXSFMTGHH-UHFFFAOYSA-N	309.369	3.032	10	20	DGCD	
CCOC(C)(C)CNCc1cccc(Br)c1O	159221255	MNTVHSHOZICQSP-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
O=[N+]([O-])c1cnc(NCc2ccccc2O)c(Br)c1	135763884	JLJSXXJDIMXIHF-UHFFFAOYSA-N	324.134	3.070	10	20	DGCD	
CCc1cccc(NC(=S)NNc2cccc([N+](=O)[O-])c2)c1	7351588	ZBMBPSBKILMAAQ-UHFFFAOYSA-N	316.386	3.471	10	20	DGCD	
O=C(CCNCc1c(O)cccc1Cl)Nc1ccccc1	113346696	HUNDIIHUDRQYCH-UHFFFAOYSA-N	304.777	3.164	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCO[C@H](C)C2)cc1	171276572	JKYIPGZZTOWHCN-MRXNPFEDSA-N	312.413	3.345	10	20	DGCD	
CCc1ncnc(N(CC)Cc2ccc(N(C)C)cc2)c1F	301968831	PVHBBHOVIKWIHR-UHFFFAOYSA-N	302.397	3.271	10	20	DGCD	
C[C@H](Sc1nccs1)C(=O)N1CCc2ccccc2C1	64660290	TWAORVNSKUBSSJ-NSHDSACASA-N	304.440	3.209	10	20	DGCD	
CS[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1	172363682	DUANBWYXXQUVQR-KRWDZBQOSA-N	314.454	3.473	10	20	DGCD	
CC(C)c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)no1	122663414	WVLRSKWGNJAOGJ-UHFFFAOYSA-N	314.385	3.312	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(F)(F)F	70286828	NVYAVYWICXHZEI-UHFFFAOYSA-N	300.324	3.198	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(C)cc1O	185350759	DDUVKJMWFZIBQT-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
CCOc1cc2c(cc1NCc1cc(C)ccc1O)OCCO2	189261334	CYWPIPUKERFCPZ-UHFFFAOYSA-N	315.369	3.483	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)c1O	320183002	RVXRAXOGAGZZJH-SYWGBEHUSA-N	303.377	3.212	10	20	DGCD	
Cc1nc(Cl)ccc1NC(=O)N(C)Cc1ccccc1O	194663521	QZKHSPDVPSBLGH-UHFFFAOYSA-N	305.765	3.413	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)C1(CC)CC	193129699	IDASIWHHACTCOG-CABCVRRESA-N	321.417	3.154	10	20	DGCD	
Cc1c(CNC(=O)c2ccnc(C3CC3)n2)n(C)c2ccccc12	348634934	QQZRGIQMGKFJQD-UHFFFAOYSA-N	320.396	3.084	10	20	DGCD	
Cc1noc(C)c1/C=C1/SC(NC2CCCCC2)=NC1=O	255831503	MOAKAJFJJZRCHC-MDWZMJQESA-N	305.403	3.184	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cc(OC)ccc2O)n[nH]1	277223587	LMUYZDXPLXFUND-SRVKXCTJSA-N	318.421	3.444	10	20	DGCD	
CCC[C@]1(CO)CCN(Cc2c(O)ccc(Cl)c2F)C1	377836109	YYZRVNIYOSHZOQ-HNNXBMFYSA-N	301.789	3.169	10	20	DGCD	
CCn1ccnc1[C@@H]1CCCCN1Cc1cccc(OC)c1O	281169368	QKTCGECMFKHGHA-HNNXBMFYSA-N	315.417	3.344	10	20	DGCD	
Cc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cnn(C)c1C	294312120	SWMSAXXSSIIWAT-SOFGYWHQSA-N	303.793	3.367	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3[nH]ncc3C2)cc1	299312626	RYYYWQHZEKGJKL-UHFFFAOYSA-N	320.396	3.016	10	20	DGCD	
OC[C@@H](NCc1cc(Cl)c(F)cc1O)c1cccc(F)c1	816550312	NVQUHSWSMPIMQA-CQSZACIVSA-N	313.731	3.147	10	20	DGCD	
C[C@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1	815093051	AFRJUALTGBCQBN-IFXJQAMLSA-N	316.420	3.146	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)NCc2cc(C)c(C)cc2O)s1	818231505	LKMGULMARNBNEG-LLVKDONJSA-N	320.414	3.103	10	20	DGCD	
C[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1	817926770	VEZNSXJELYRHKD-NSHDSACASA-N	315.442	3.092	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3C[C@H]3C3CCC3)CC2)cc1	818230282	PECBJRDCHZICHJ-RBUKOAKNSA-N	300.446	3.442	10	20	DGCD	
Cc1ccc(O)c(CN2CCOC[C@H]2c2ccc(F)cc2)c1	825046363	SIKDOSWWZSMERF-KRWDZBQOSA-N	301.361	3.413	10	20	DGCD	
CC[C@@H](NCc1ccc(CCO)cc1)c1ccc(F)cc1O	903404212	YEUZLQMKIJPHNQ-QGZVFWFLSA-N	303.377	3.307	10	20	DGCD	
CN(C)[C@H](CNC(=O)c1cc(O)cs1)c1ccccc1Cl	732257025	BPKRCYIALDLRRH-CYBMUJFWSA-N	324.833	3.140	10	20	DGCD	
CC(C)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1C(C)C	836888013	IGJAKXPARQKEHI-YPWKKJFASA-N	303.402	3.250	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@H](C2CCC2)CC1	830532215	SVICPBMQRWLVPW-WKILWMFISA-N	317.429	3.363	10	20	DGCD	
O=C(O)CC[C@H]1CCCC[C@@H]1NCc1cc(F)cc(F)c1O	904017262	IIBSIGOOXNTCBK-YGRLFVJLSA-N	313.344	3.184	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CCCCO)cc1	833696727	YQTBSVDLNBWQGO-AWEZNQCLSA-N	314.429	3.375	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC(C)(C)CO)cc1	834052639	KCSZPHWAQMJLEU-UHFFFAOYSA-N	314.429	3.185	10	20	DGCD	
CSCC[C@@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2	743620696	CLVFQEARBRDFDA-GFCCVEGCSA-N	322.474	3.212	10	20	DGCD	
CCc1cccc(CN[C@@H](CC)COCC(F)(F)F)c1O	848916248	RHGUOTNAMWVLRB-ZDUSSCGKSA-N	305.340	3.402	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CC=CC1	840326576	JTQRCSVWXNMUHT-AWEZNQCLSA-N	301.434	3.010	10	20	DGCD	
Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(N)cc3)C2)cc1	841298564	BKAYMLMOSJJKHQ-QGZVFWFLSA-N	324.428	3.368	10	20	DGCD	
C[C@H](OCC1CC1)C(=O)NCc1ccc(N2CCCCC2)cc1	742468297	BGYLBUUZDOHGLA-HNNXBMFYSA-N	316.445	3.108	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CO)[C@@H](C)c1ccccc1	840934001	LTXDJMJKWIKGSL-JXFKEZNVSA-N	312.457	3.315	10	20	DGCD	
CCc1cccc(CN(CCO)[C@H]2CCc3ccccc32)c1O	848887273	RVCJBUPHTAYYPT-IBGZPJMESA-N	311.425	3.436	10	20	DGCD	
CCc1cccc(CNC[C@@H](CO)c2ccc(Cl)cc2)c1O	848912375	PYAMZUHHGCTXMA-INIZCTEOSA-N	319.832	3.474	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@@H](C)c1cccc(OC)c1O	846157373	LTXADJLSXLSTHW-LBPRGKRZSA-N	317.433	3.110	10	20	DGCD	
Nc1ccc(NC(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1	841299289	IILMKXCYJOGQTA-CVEARBPZSA-N	315.417	3.082	10	20	DGCD	
C/C=C(\C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	751371621	XVVHEPVGLKQMLA-KGVSQERTSA-N	324.371	3.339	10	20	DGCD	
COc1cccc(C2(NC(=O)Cc3ccc(N)cc3)CCC2)c1	851648259	ZDCBVUAZSUSNGR-UHFFFAOYSA-N	310.397	3.016	10	20	DGCD	
CCN(CCNCc1cccc(Cl)c1O)CCC(F)(F)F	756127865	JADWMPJXGGGDEU-UHFFFAOYSA-N	324.774	3.410	10	20	DGCD	
COc1cc(CNCc2cc(C)no2)c(O)c(C(C)(C)C)c1	850120124	WRBUBCRLWTZVJL-UHFFFAOYSA-N	304.390	3.285	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@H]2[C@@H]2CCCOC2)cc1F	862398368	GQRWNAQOXNMCMS-DYVFJYSZSA-N	324.415	3.422	10	20	DGCD	
C[C@H](NCC1(CN(C)C)CCCC1)c1cc([N+](=O)[O-])ccc1O	760898255	PJSJBKSMIOZLIL-ZDUSSCGKSA-N	321.421	3.073	10	20	DGCD	
COCCC1(CNC(=O)N[C@H](C)c2ccccc2O)CCCC1	868400143	FLCYGNQQLKUSQU-CQSZACIVSA-N	320.433	3.349	10	20	DGCD	
COCc1cc(NCc2c(O)cccc2OC)ccc1OC	865751581	QVSJAWGMPSEZBM-UHFFFAOYSA-N	303.358	3.168	10	20	DGCD	
Cc1ccc(C2=NO[C@H](CNCc3ccc(C)cc3O)C2)cc1	1119450448	JAHCEUIPUQZYNC-KRWDZBQOSA-N	310.397	3.292	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCCn2ccnc2)cc1	763112427	RCCBGONFCYXXDJ-UHFFFAOYSA-N	309.369	3.148	10	20	DGCD	
COC(=O)CC[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1	877818813	PLMGPEBEYGEHLI-LBPRGKRZSA-N	311.809	3.211	10	20	DGCD	
COc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)c(C)c1	1117507487	MVYKOIFFRUBASD-UHFFFAOYSA-N	317.732	3.446	10	20	DGCD	
CCOC(=O)N1CCC(C)(CN(C)Cc2ccccc2O)CC1	876616131	SWNOHTJODPCLAT-UHFFFAOYSA-N	320.433	3.083	10	20	DGCD	
COc1ncc(/C=C\C(=O)N2CCCCCc3ccccc32)cn1	775866833	MFTHOTJAMHDCOW-KHPPLWFESA-N	323.396	3.258	10	20	DGCD	
c1ccc(-c2cnc(CNCc3ccc4c(c3)CCO4)[nH]2)cc1	1116825104	KCDLUKCWHVHOKD-UHFFFAOYSA-N	305.381	3.301	10	20	DGCD	
COC(=O)C(C)(C)CNCc1cc(-c2ccccc2)ccc1O	779431878	GTEWWHZCCFIZGG-UHFFFAOYSA-N	313.397	3.348	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1	775143846	CDRXSVDZGRJDNT-ZANVPECISA-N	323.742	3.181	10	20	DGCD	
CCn1cc(NC(=S)N[C@H](C)c2ccc(N(C)C)cc2)cn1	774259609	WSSDVJMRWZFYAC-GFCCVEGCSA-N	317.462	3.017	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1ccc(O[C@H]2CCOC2)cc1	883016450	ZMSKBHGPQCFLEP-HNNXBMFYSA-N	321.323	3.450	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccncc1	883290979	OPKFPNCSYMRLOZ-FQEVSTJZSA-N	324.472	3.074	10	20	DGCD	
C[C@H](NCc1cc(-c2ccccc2)ccc1O)c1ncn(C)n1	780562661	HUMODIUIBSHCHA-ZDUSSCGKSA-N	308.385	3.039	10	20	DGCD	
Oc1cc2c(cc1CN1CCC(CC(F)(F)F)CC1)OCO2	789529497	XXSUZNPCAZOLOQ-UHFFFAOYSA-N	317.307	3.285	10	20	DGCD	
Cc1cc(C(F)(F)F)nc(NCc2ccc(N(C)C)cc2)n1	782046234	YPUFTGXLOISGCF-UHFFFAOYSA-N	310.323	3.482	10	20	DGCD	
CC(C)COc1cccc(CNC(=O)c2cccc(O)c2O)c1	790575082	DPZYUEKUDXXRTK-UHFFFAOYSA-N	315.369	3.063	10	20	DGCD	
COc1ccc(N(C)Cc2cccnc2N(C)C)cc1Cl	1327382158	KWCCEIKFKSQOJP-UHFFFAOYSA-N	305.809	3.446	10	20	DGCD	
C[C@@H]1CN(c2nnc(-c3sccc3O)n2C)[C@@H]2CCCC[C@@H]12	1339458681	RTTCCOUBFYMROZ-GRYCIOLGSA-N	318.446	3.264	10	20	DGCD	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(N)cc1	1346738263	FSZDHQRVCSNAEQ-KSSFIOAISA-N	309.413	3.356	10	20	DGCD	
C[C@H](NCC1(c2ccccc2)CC1)c1cc(C(=O)O)ccc1O	1604337205	LUNBTBUDUIRSNL-ZDUSSCGKSA-N	311.381	3.473	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2c(C)nn(C)c2C)cc1	151131837	GRHVPOZNCSZIBE-ZDUSSCGKSA-N	300.450	3.344	10	20	DGCD	
CCN(Cc1c(O)cccc1Br)C[C@H]1CCOC1	862224477	XTVBQYPTQOTJBJ-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
CCN(Cc1cccc(Br)c1O)C[C@@H](C)OC	383212538	KDPIQTVKCZZQMK-SNVBAGLBSA-N	302.212	3.012	10	20	DGCD	
Cc1nc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)s1	58769039	PNAPSKDXQMKGBU-UHFFFAOYSA-N	315.442	3.072	10	20	DGCD	
C[C@H](NCc1cc[nH]n1)c1ccc(N2CCCCC2)c(F)c1	177954797	CZKUFIQDXVKLSE-ZDUSSCGKSA-N	302.397	3.390	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2cc(F)ccc21	56840909	SDQOIIGDEGZDLC-MRXNPFEDSA-N	314.360	3.360	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc(F)cc2O)cc1OC	170788879	MZYZPGLCUDVERN-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)cc1C	111235484	NFSIVJPWHGTUJW-OAHLLOKOSA-N	312.413	3.468	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1C	179302958	SNQQCLSPMVFODA-HZPDHXFCSA-N	315.461	3.474	10	20	DGCD	
CC(C)[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1	305147852	SLGAQVYBIJHBOF-HXUWFJFHSA-N	316.489	3.420	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cccc(C(F)F)c2)c1	172042334	DXGNGJSAFNDQRY-UHFFFAOYSA-N	307.296	3.268	10	20	DGCD	
CN(Cc1cccc(F)c1)C(=O)NCc1ccc(N(C)C)cc1	31726255	NXCUWCMUVOMBLM-UHFFFAOYSA-N	315.392	3.233	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(F)ccc1O	316375735	AXVJSTXXJCAWPI-VIFPVBQESA-N	302.305	3.035	10	20	DGCD	
C[C@@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC[C@H]1C	317184464	NKGUFOQJDMUWEO-CZVUKNJHSA-N	304.346	3.175	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCN2CCc3ccccc3C2)c1	184923639	VJSDDBJNYVZOMM-MRXNPFEDSA-N	310.441	3.410	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC2(O)CCC(C)(C)CC2)c1	316391237	WIHJVDCJGODVBB-CYBMUJFWSA-N	307.434	3.383	10	20	DGCD	
CC[C@H](c1ccncc1)N(CC)Cc1cc2c(cc1O)OCO2	131514657	OMLGGDFGZADKTJ-OAHLLOKOSA-N	314.385	3.489	10	20	DGCD	
COc1cc(C(=O)NCc2c(C)c3ccccc3n2C)cc(C)n1	337089813	KBXAMQOQTJNMFU-UHFFFAOYSA-N	323.396	3.129	10	20	DGCD	
COCc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	248103728	IDKZCZUTOLPLQC-UHFFFAOYSA-N	312.413	3.171	10	20	DGCD	
Cc1cccc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1O	271990424	RQPACMKTEZLDSJ-OAHLLOKOSA-N	312.417	3.076	10	20	DGCD	
Cc1ccncc1[C@H](C)NCc1ccc(N2CCOCC2)cc1	271501185	NYPLYXRERBWNHV-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
CCOC1CC(CN(Cc2ccccc2O)C[C@H]2CCCO2)C1	285519782	GIYZHSVJNZEUNJ-IIIMJFFVSA-N	319.445	3.188	10	20	DGCD	
CN1CCC2(CCCN(Cc3cc(Cl)ccc3O)C2)CC1	376000160	NSWVDMJKUADOAQ-UHFFFAOYSA-N	308.853	3.353	10	20	DGCD	
C[C@H](NCc1ncnn1C(C)(C)C)c1cc(Cl)ccc1O	282658905	IILIVWABXZNPCI-JTQLQIEISA-N	308.813	3.243	10	20	DGCD	
O=C(NC[C@@H]1CCCCC(F)(F)C1)c1c(F)ccc(O)c1O	295362704	PCIKZLGIXODIAB-SECBINFHSA-N	317.307	3.182	10	20	DGCD	
CCOCc1cc(CNCCCC2(O)CCC2)ccc1OC	817414360	IKSUHFKZGFVTSY-UHFFFAOYSA-N	307.434	3.017	10	20	DGCD	
CCc1cccc(NC(=S)NCc2ncccc2N(C)C)c1	811709909	RQZVYPZYEREMQJ-UHFFFAOYSA-N	314.458	3.197	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccc(CO)c1	813572805	SCSBVXUUMCVTHP-UHFFFAOYSA-N	313.397	3.327	10	20	DGCD	
Oc1c(CNC[C@@]2(O)CCc3ccccc32)ccc2ccccc12	816558192	QBZHFSCSXWMZJV-NRFANRHFSA-N	319.404	3.469	10	20	DGCD	
CCCCN(C)C[C@H](C)NCc1cc(Cl)c(F)cc1O	816614095	MWSMQZUHBNSBKC-NSHDSACASA-N	302.821	3.395	10	20	DGCD	
CN1CCN(c2ccc(CNc3ccc4c(c3)COC4)cc2)CC1	817408777	OJOXDSIIGOQNAX-UHFFFAOYSA-N	323.440	3.081	10	20	DGCD	
COCC(C)(C)CN[C@H](C)c1ccc(Br)cc1O	813882883	NRLVHCOCWADBSG-SNVBAGLBSA-N	316.239	3.478	10	20	DGCD	
Cc1cc(CN2CCOC[C@H](C)C2)ccc1N1CCCCC1	828487535	IVFHNGZDGHQRRO-MRXNPFEDSA-N	302.462	3.454	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2C[C@H](C)n3ccnc32)c1O	825016326	ATFLSYAIIHGHHT-CABZTGNLSA-N	307.781	3.046	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1ccccc1)C1CC1	588403318	KDYPQNQLUYBDQT-XFFZJAGNSA-N	309.365	3.302	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c(C)noc1C(C)C	734403154	XFJURUSDJMJIAX-UHFFFAOYSA-N	315.417	3.411	10	20	DGCD	
CC(C)C[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	839146263	AYDARXJTKCDTHR-CYBMUJFWSA-N	312.404	3.326	10	20	DGCD	
COc1cc2c(c(OC)c1)N(C[C@@H]1C[C@H]3CC[C@H]1O3)CCC2	839654246	DTMZBKKZKBNZOS-SQWLQELKSA-N	303.402	3.024	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2C[C@H]3CCCCN3C2=O)c1O	834914552	NPSBBVOZUPXANK-NJZAAPMLSA-N	322.836	3.158	10	20	DGCD	
Fc1cc(CN[C@@H]2CC[C@H]2C2CC2)cc(F)c1N1CCOCC1	839145191	NJYXGUGIVUTJOS-WMLDXEAASA-N	322.399	3.080	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc(OCCN(C)C)c(F)c2)c1	839188209	DQXBHINHSINCRH-UHFFFAOYSA-N	318.392	3.392	10	20	DGCD	
Nc1ccc(Cc2noc(CSC[C@H]3CCCCO3)n2)cc1	843159007	KLKBXFLYCPUJDG-CQSZACIVSA-N	319.430	3.045	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(CC(F)F)C1)c1ccc(N(C)C)cc1	841771614	ZWXOSPWMFZDJGI-ZBFHGGJFSA-N	311.420	3.133	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H]([C@H]3CCCNC3)C2)c1	843128308	VTJBZUUKOKGGME-JKSUJKDBSA-N	318.461	3.003	10	20	DGCD	
Nc1ccc(NC(=O)NC2(c3ccccc3)CCOCC2)cc1	841300795	VHMJMMKGURCPHB-UHFFFAOYSA-N	311.385	3.096	10	20	DGCD	
C[C@@H](N[C@H](CO)CCF)c1ccc(N2CCCCC2)c(F)c1	846209567	SINZHQYXOHHPES-HIFRSBDPSA-N	312.404	3.187	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc(F)cc2Cl)cc1	841042943	MZWRKHFZDBMODW-QGZVFWFLSA-N	321.827	3.335	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@](C)(O)c1ccsc1	840933952	LUVRNBCEAIDULV-QGZVFWFLSA-N	304.459	3.120	10	20	DGCD	
CC[C@H](Cc1cccc(C)c1)C(=O)NCc1ccc(O)cc1O	910957614	SWSZZOZIRIKSFW-OAHLLOKOSA-N	313.397	3.291	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2c1CCC2	920036314	GFCCUAWYTYJKFJ-UHFFFAOYSA-N	322.408	3.264	10	20	DGCD	
C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@H](C)c1ccccc1	841849502	YGKOANMQMJPZSP-CABCVRRESA-N	311.429	3.303	10	20	DGCD	
COC[C@H](NCc1cc(C)ccc1O)c1cccc(OC)c1	850362962	WQELEAFEBGJNHR-KRWDZBQOSA-N	301.386	3.187	10	20	DGCD	
CC[C@@H](NCC(C)(C)[C@@]1(O)CCCOC1)c1ccccc1O	850561057	HXAMYSRPDWNDTP-CRAIPNDOSA-N	307.434	3.001	10	20	DGCD	
CNc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1	863482226	WOERILPGHIOPRZ-UHFFFAOYSA-N	310.445	3.092	10	20	DGCD	
C[C@@H]1C[C@H]1c1nnc(NCc2c(O)cccc2Br)o1	865294606	PYPFNJYMRXXDOU-HTQZYQBOSA-N	324.178	3.273	10	20	DGCD	
CCc1cccc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)c1O	862365268	NZUCMWYUPCRXEZ-AWEZNQCLSA-N	313.323	3.081	10	20	DGCD	
CN(C)c1ccc(CN2CCN(c3cccs3)CC2)cc1F	769504361	UTUHDNGNWQFHIH-UHFFFAOYSA-N	319.449	3.275	10	20	DGCD	
C[C@@](O)(C1CCN(Cc2cc(F)ccc2O)CC1)C(F)(F)F	768533988	XGJGYOUSUDZSRR-CQSZACIVSA-N	321.314	3.057	10	20	DGCD	
Cc1ccccc1N1CCN(Cc2cc(F)ccc2O)CC1	778995436	RPDFUHKBULBORM-UHFFFAOYSA-N	300.377	3.162	10	20	DGCD	
CC1(C)CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1	779540706	CNGAXINXBNPDQP-XQRVVYSFSA-N	303.402	3.444	10	20	DGCD	
C[C@@H](NCCCOCC1CCOCC1)c1c(O)cccc1F	886530548	MHFYNVBGUOXSLV-CYBMUJFWSA-N	311.397	3.015	10	20	DGCD	
COCC[C@H](Cc1ccco1)NCc1ccc(OC)c(C)c1	784625769	NZVBCRJRYZDTKL-MRXNPFEDSA-N	303.402	3.334	10	20	DGCD	
C[C@H](N[C@H](C)CC[S@@](C)=O)c1cccc(C(F)(F)F)c1O	788669815	PNFWOCYEXBHTPZ-QONUSYMYSA-N	323.380	3.219	10	20	DGCD	
C[C@@H](NCCc1cncn1C)c1ccc(N2CCCCC2)cc1	788257782	QIQZAIQBCFBNBC-MRXNPFEDSA-N	312.461	3.304	10	20	DGCD	
CCCCCn1nc(C)cc1NC(=O)c1ccc(C)c(O)c1O	780959791	ONFSJMOWINMBAA-UHFFFAOYSA-N	317.389	3.354	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1cccc(O)c1	780719088	MJBUYVALDTVWPK-YFHOEESVSA-N	310.397	3.096	10	20	DGCD	
O=C(NCC1(c2ccccc2Cl)CC1)c1cccc(O)c1O	790908499	PBSJBIUNBORNBX-UHFFFAOYSA-N	317.772	3.213	10	20	DGCD	
COCC[C@H](C)NCc1cc(Cl)cc(Br)c1O	708099531	QAVCSCPMSPPINJ-QMMMGPOBSA-N	322.630	3.323	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@@H](C)N(C(=O)C=C(C)C)C2)cc1C	987918993	PFZNQPLFSIKPDW-WBVHZDCISA-N	316.445	3.049	10	20	DGCD	
C[C@@H](c1nnc(N(C)Cc2ccccc2O)n1C)C1CCC1	1338884257	XECGTGRJNUFJLU-GFCCVEGCSA-N	300.406	3.061	10	20	DGCD	
CCn1cnc2c1CCN(Cc1ccc(N3CCCC3)cc1)C2	1336783518	BDRDUTQTIAJUCB-UHFFFAOYSA-N	310.445	3.062	10	20	DGCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4ccc(N5CCCC5)cc4)[C@@H]1[C@H]3C2	1343287884	YOYVLWFSEHPQOT-KRFUXDQASA-N	312.457	3.142	10	20	DGCD	
CC[C@H](C)n1nccc1C(=O)NCc1ccc(N(C)C)cc1C	1527586077	JDISBHOOXPNVCT-AWEZNQCLSA-N	314.433	3.159	10	20	DGCD	
CCCCC[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)O	1609967280	OZWYYINJCQEGDO-KRWDZBQOSA-N	304.434	3.410	10	20	DGCD	
CCOc1ccc(CN[C@H](CC2CCCCC2)C(=O)O)c(O)c1	1605691869	NLARJROZVMICCM-MRXNPFEDSA-N	321.417	3.304	10	20	DGCD	
CCN(CC)c1ccc(CNc2ncc(C(=O)O)s2)cc1	1776861436	HAVNCYDBZWJEOY-UHFFFAOYSA-N	305.403	3.300	10	20	DGCD	
NC(=O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)c1	21503219	HMVAFSWETAXAKL-UHFFFAOYSA-N	311.168	3.410	10	20	DGCD	
C[C@H]1Oc2ccc(N[C@H](C)c3ccc(F)cc3O)cc2NC1=O	170789145	NIGUAWNZCTWVJJ-NXEZZACHSA-N	316.332	3.424	10	20	DGCD	
Cc1cc(C(=O)N(C)c2cccnc2)c(C)n1-c1ccccn1	172191879	SNUZQFJROKMSNQ-UHFFFAOYSA-N	306.369	3.161	10	20	DGCD	
CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C)c(O)c2O)C1	179526019	XQVIIBDPAPVKJH-VXGBXAGGSA-N	309.431	3.152	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCc3ccccc32)cc1	115205585	XHLNBQNGCJUVGO-KRWDZBQOSA-N	308.425	3.489	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2)cc1	178181695	DGOGNJPQDXVXOS-CQSZACIVSA-N	311.429	3.092	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccn(-c3ccccc3)n2)c1	182390175	JTSLXMHBZAYVMD-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
COc1cc(F)c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F	181191774	YNEUHDBPHXRXNU-HWKANZROSA-N	321.279	3.037	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ncc(C)s1	74758249	NMVNWEFQYZYWGA-UHFFFAOYSA-N	319.430	3.279	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)C[C@@H](C)O)cc1	77118204	LYFPPNSYINJGGI-CZUORRHYSA-N	314.429	3.231	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1O	74624206	IPOSAULUYTZEIZ-HUUCEWRRSA-N	318.417	3.169	10	20	DGCD	
CCOC(=O)C[C@@](C)(NCc1cccc(OCC)c1O)C(C)C	185236496	VCUGASIIIKMFFV-GOSISDBHSA-N	323.433	3.248	10	20	DGCD	
CC[C@@H](CSC)NC(=O)c1cc(C)n(-c2ccccn2)c1C	181218215	GJLAEWVEDGHLEH-AWEZNQCLSA-N	317.458	3.361	10	20	DGCD	
CC[C@H](COC)N[C@H](C)c1cc(Br)ccc1O	185503801	NQUAIERDFWLYAS-MWLCHTKSSA-N	302.212	3.230	10	20	DGCD	
CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)CCO1	183003547	PBULEZLURCYPBU-UKRRQHHQSA-N	321.417	3.120	10	20	DGCD	
Cc1cc(CNC(=O)N(C)Cc2ccccc2O)ccc1F	45346079	HPZLNRCWSUPFLJ-UHFFFAOYSA-N	302.349	3.181	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1	237911420	BVUVTLQCHDKWFA-FQEVSTJZSA-N	317.392	3.112	10	20	DGCD	
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cc1ccc(N)cc1	237191326	WQEUHPSQKMSEEG-UHFFFAOYSA-N	312.457	3.486	10	20	DGCD	
COc1ccc(CNCc2ccc(N3CCCCC3)cc2)cn1	237470737	LJDUPBAGUIOJFZ-UHFFFAOYSA-N	311.429	3.370	10	20	DGCD	
CN(C)c1ccc(CN(CCO)[C@H]2CCc3ccccc32)cc1	93387377	HEQVVBZVNIEUPX-FQEVSTJZSA-N	310.441	3.234	10	20	DGCD	
CN(C)c1ccc2cc(NC(=O)/C=C\c3cccnc3)ccc2n1	255426086	LPZZHPOPPMSHHU-YHYXMXQVSA-N	318.380	3.348	10	20	DGCD	
Cc1nccn1CCN(C)Cc1ccc(N2CCCCC2)cc1	270841281	NTQXPGONRZOILW-UHFFFAOYSA-N	312.461	3.314	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1	273363680	DKNZAFLFKAKLSH-SJCJKPOMSA-N	316.357	3.339	10	20	DGCD	
C[C@H](CC[S@](C)=O)N[C@H](C)c1cc2c(cc1O)CCCC2	273486764	NHVYBQDZANUGEQ-ZNLKAECVSA-N	309.475	3.079	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)/C=C/c1nccs1	1346622087	BMHGQQMFHPNSFV-BQYQJAHWSA-N	302.399	3.301	10	20	DGCD	
C[C@@H]1CCCN(c2ccc(CN[C@H]3CCOC3)cc2Cl)C1	800275423	CCKADQOTONICIZ-HIFRSBDPSA-N	308.853	3.455	10	20	DGCD	
Cc1cccc(CN[C@H]2CCN(c3ccccc3F)C2)c1O	292864103	VRBIKLFUXLPIEA-HNNXBMFYSA-N	300.377	3.208	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)c3ccncc3)C2)cc1	818115750	CKOGOACPBLAUBU-HOTGVXAUSA-N	311.429	3.267	10	20	DGCD	
CC[C@H](N[C@@H](C)C1(OC)CCOCC1)c1ccc(N(C)C)cc1	817587942	KNFMTVANGYKTAD-YJBOKZPZSA-N	320.477	3.377	10	20	DGCD	
O=C1CN(Cc2ccccc2O)C(=O)N1CC1CCCCCC1	819169025	FMBCCYOAXXDNQC-UHFFFAOYSA-N	316.401	3.127	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C)c2cc(OC)ccc2O)cn1	813330904	IVQVLLMMVLETFR-CYBMUJFWSA-N	315.417	3.103	10	20	DGCD	
CC(C)CCC[C@H](C)NC(=O)COc1ccc(N(C)C)cc1	810001719	KIQBIHIBAOCQAH-HNNXBMFYSA-N	306.450	3.462	10	20	DGCD	
C/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728839256	AHJOCLOUIZBDLP-SNAWJCMRSA-N	300.324	3.220	10	20	DGCD	
C[C@@H](Cc1cnccn1)NCc1cc(Cl)cc(Cl)c1O	725849770	XFZVDRHYNUJLQO-VIFPVBQESA-N	312.200	3.210	10	20	DGCD	
COc1ccc(NC(=S)N(C)Cc2ccccc2O)cc1F	726468233	AYMWPJHFMNDHAF-UHFFFAOYSA-N	320.389	3.369	10	20	DGCD	
O=C(c1cccc2c1CCNC2)N(CC1CC1)c1ccccc1	662639699	KUCGRHKWRHGMFW-UHFFFAOYSA-N	306.409	3.389	10	20	DGCD	
C[C@@H](NC(=O)[C@]1(C)CC(c2ccccc2)=NO1)c1ccccc1O	827952585	XXYBEAJBPVEKAJ-YJYMSZOUSA-N	324.380	3.153	10	20	DGCD	
CC[C@H]1c2ccccc2CN1Cc1cc2c(cc1O)OC[C@@H]2O	902666453	PYJODNOCLBSDGL-WMZOPIPTSA-N	311.381	3.285	10	20	DGCD	
CC(C)CN(CC(=O)O)Cc1ccc(N2CCCCC2)cc1	901590988	VVPVCXVQSJZXAI-UHFFFAOYSA-N	304.434	3.220	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@@H](C)c2cc(F)ccc2O)cc1C	834912276	CAFPKHXCJZJQMZ-YOEHRIQHSA-N	317.404	3.402	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)CCN)c(C)n1-c1ccc(Cl)cc1	834453031	MWUPECFVLPFTNR-NSHDSACASA-N	319.836	3.215	10	20	DGCD	
COCc1cccc(CN[C@@H](C)c2cccc(OC)c2O)c1	846140118	GKZKHHOMQRQXCS-ZDUSSCGKSA-N	301.386	3.398	10	20	DGCD	
C[C@@H](NC1CCN(CC(F)F)CC1)c1ccc(Cl)cc1O	841746147	CSXVNBVQGIAKGK-SNVBAGLBSA-N	318.795	3.426	10	20	DGCD	
CC(C)CNC(=S)N(Cc1ccc(N(C)C)cc1)C(C)C	917593488	OHCLIQMIZHHWJN-UHFFFAOYSA-N	307.507	3.494	10	20	DGCD	
CC(C)(NC(=O)NCCc1ccc(N)cc1)c1cccs1	841954566	ODFPSBZEOGSUTH-UHFFFAOYSA-N	303.431	3.107	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](O)c2c(F)cccc2F)c1	756738079	JCUCDIWWJHVAPU-MEDUHNTESA-N	307.340	3.363	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@H](O)c2c(F)cccc2F)c1	756738081	JCUCDIWWJHVAPU-ZBEGNZNMSA-N	307.340	3.363	10	20	DGCD	
CCC[C@H](O)CC(=O)N(C)Cc1ccc(N(CC)CC)cc1	750097309	UQVIABOEVQTGIQ-KRWDZBQOSA-N	306.450	3.042	10	20	DGCD	
CCCN(CCO)C(=O)c1cc(C)ccc1-n1c(C)ccc1C	757942656	RMWXNLBRMBKEQJ-UHFFFAOYSA-N	314.429	3.247	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1	930206357	VTMYCMQJZKXJEP-HNNXBMFYSA-N	324.424	3.412	10	20	DGCD	
CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1ccccc1O	868516451	IIOXAAYWRDRPBI-UNEWFSDZSA-N	320.433	3.346	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1F	764508234	TZDCTLIYVLBCRN-LBPRGKRZSA-N	324.293	3.189	10	20	DGCD	
C[C@H](NC(=O)NCCCC(F)(F)F)c1ccc(N(C)C)cc1	773348030	ZMVNNDWPCOYIMJ-NSHDSACASA-N	317.355	3.455	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(C)(Cl)Cl)cc1	776835121	OVEWLXZOUJKGBM-UHFFFAOYSA-N	303.233	3.343	10	20	DGCD	
CC[C@@H](NC[C@@](C)(O)COC)c1ccc(Cl)c(Cl)c1O	775503121	BQGBGCUFKLIMNX-BXUZGUMPSA-N	322.232	3.137	10	20	DGCD	
CC[C@@H](NC[C@H]1COCCO1)c1ccc(Cl)c(Cl)c1O	775490333	BYHFOBCDKFICFZ-JOYOIKCWSA-N	320.216	3.155	10	20	DGCD	
CCOc1ccc(CN[C@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1	776251670	RRCRMPUSEARGHG-INIZCTEOSA-N	323.433	3.247	10	20	DGCD	
CSC1(CNC(=O)NCc2ccc(N(C)C)cc2C)CCC1	789024875	LRRRPZBUAWENLL-UHFFFAOYSA-N	321.490	3.146	10	20	DGCD	
COc1ccc(CNc2ccc(N(C)C)c(F)c2)c(O)c1OC	895872066	DJAITIXCSKXTJL-UHFFFAOYSA-N	320.364	3.227	10	20	DGCD	
CC[C@H](N[C@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1O	796959526	RADZUEXAQMRSDG-WMZOPIPTSA-N	317.404	3.484	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ncccc3Cl)ccc21	794260964	JTJWMPCXOUOBHB-UHFFFAOYSA-N	315.804	3.047	10	20	DGCD	
CC[C@](C)(CC(=O)OC)NCc1ccc(N2CCCC2)cc1	1321023588	NWSWPRDFKUGQHZ-GOSISDBHSA-N	304.434	3.108	10	20	DGCD	
CCOc1ccc(CN(C)Cc2cc(C(=O)O)c(C)o2)c(O)c1	1597100132	BPYWPSWDTUTZIT-UHFFFAOYSA-N	319.357	3.023	10	20	DGCD	
CCN(C)c1ccc(CNC2CC(CCC(=O)O)C2)c(C)c1	1776856833	OYVCJTHJQQMCAH-UHFFFAOYSA-N	304.434	3.184	10	20	DGCD	
CC[C@H](NCCCN(C)C)c1cc(Br)ccc1O	19958821	HTFAQLZYKWYVDT-ZDUSSCGKSA-N	315.255	3.147	10	20	DGCD	
C/C(=C/C(=O)NCc1ccc(O)c(O)c1)c1ccccc1Cl	158885333	DJRBPFQZYJQJCS-FLIBITNWSA-N	317.772	3.471	10	20	DGCD	
COc1cc(C)cc(CN2CCc3ccc(F)cc3C2)c1O	164534935	ZEWGREPMVUDVFP-UHFFFAOYSA-N	301.361	3.407	10	20	DGCD	
O=C(CN1CC[C@H](O)C1)Nc1ccc(/N=N/c2ccccc2)cc1	152107778	ZDFACFZCRYLBCH-UAFUQJIBSA-N	324.384	3.107	10	20	DGCD	
CSc1cccc(NC(=O)CN(C)Cc2ccccc2O)c1	109770190	BWGHSLHJDILTPP-UHFFFAOYSA-N	316.426	3.185	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(N2CCCC2)cc1	178196450	SWHMMVNUPHVHHQ-QAPCUYQASA-N	316.445	3.361	10	20	DGCD	
C[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1	128990105	AZKMHGBGBONELI-BEFAXECRSA-N	323.440	3.209	10	20	DGCD	
CCO[C@H](CCNC(=O)NCc1ccc(N(C)C)cc1)C(C)C	72731339	YHFYDMHUXZMKJH-QGZVFWFLSA-N	321.465	3.003	10	20	DGCD	
CCOC(=O)N[C@@H](CN[C@H](C)c1ccccc1O)CC(C)C	183401367	FXDTXTDKCHUVSC-ZIAGYGMSSA-N	308.422	3.204	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(F)cccc1F	72540552	CBGZRUVLQWESST-UHFFFAOYSA-N	318.323	3.070	10	20	DGCD	
Cc1cccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1O	180765603	QQMLAXWETUJOLO-QAPCUYQASA-N	300.446	3.149	10	20	DGCD	
CCOc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2CC)c1	42186096	KMQQJDOCKWBSKW-KRWDZBQOSA-N	312.369	3.377	10	20	DGCD	
C[C@@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	193369314	KRMBLZNCYQUMSF-UKRRQHHQSA-N	318.442	3.202	10	20	DGCD	
C[C@H](NCc1cccc2c1OCO2)c1ccc(F)c(F)c1O	191213232	WIFFEVQBARFODK-VIFPVBQESA-N	307.296	3.250	10	20	DGCD	
CN(C)c1ccc(CNCc2nccn2-c2ccccc2)cc1	190698301	IQDVXXIKXQQDQX-UHFFFAOYSA-N	306.413	3.228	10	20	DGCD	
CCN(Cc1cccc(OC)c1O)C[C@@H](O)c1ccc(C)cc1	93641072	KWUKKOWAFIZGSG-QGZVFWFLSA-N	315.413	3.265	10	20	DGCD	
Oc1ccc(Cl)cc1CNC1CCN(c2ccccn2)CC1	238063131	HYZLHGFNAJYKOY-UHFFFAOYSA-N	317.820	3.199	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@H](CN(CC)CC)C2)c(O)c1	93693578	NKHAPYJUUSPHGL-INIZCTEOSA-N	320.477	3.345	10	20	DGCD	
Cc1ccc([C@H]2COCCN2Cc2cc(C)c(C)cc2O)o1	93459790	SDZRAKLMHJDSEM-MRXNPFEDSA-N	301.386	3.484	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)/C=C\c1cncc(F)c1	255618381	ONZPXGSICNYTDT-FPLPWBNLSA-N	314.360	3.378	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccncc1Cl	266683903	MHFNTTFWXLWKDO-UHFFFAOYSA-N	315.804	3.265	10	20	DGCD	
COc1cc(O)c(CN2CCSC(C)(C)CC2)cc1OC	278797180	PLPCVEZVNHCAJP-UHFFFAOYSA-N	311.447	3.127	10	20	DGCD	
COCC[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1	272240534	GWHSDQGEXYNKBE-AWEZNQCLSA-N	320.345	3.069	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CSC[C@H]3C)CC2)cc1	367705416	HAHDVBYEUZEGEY-CXAGYDPISA-N	306.475	3.005	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CC[S@]1=O	277779339	WOEOSHZJRSNSEW-OPAMFIHVSA-N	320.502	3.020	10	20	DGCD	
Cc1cnn(C)c1CNCc1ccc(N2CCC(C)CC2)cc1	286681020	VOLRFASSOFCNQA-UHFFFAOYSA-N	312.461	3.255	10	20	DGCD	
C[C@H](CCCCO)NCc1ccc(N(C)C)cc1C(F)(F)F	295014223	JTFQSHLZGLFDAS-GFCCVEGCSA-N	318.383	3.412	10	20	DGCD	
CCC[C@@H](CNC(=O)N(CCC)Cc1ccccc1O)OC	297780250	WUBYUSVZAQFYMQ-HNNXBMFYSA-N	308.422	3.129	10	20	DGCD	
Cc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3o2)c(O)c1O	801252401	UQKOHHMSBSVQMY-JTQLQIEISA-N	313.309	3.465	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2CCN(CC3CC3)C2)c1O	808694055	ZGSYAGLNRKKFDK-WFASDCNBSA-N	308.853	3.489	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccc2nccn12	801549460	OXSYVOGULJUTCE-UHFFFAOYSA-N	323.396	3.482	10	20	DGCD	
C[C@H](NCc1cnnn1-c1ccccc1)c1ccc(N(C)C)cc1	808748144	ICTJLFAERTYRTK-HNNXBMFYSA-N	321.428	3.184	10	20	DGCD	
C[C@H](NC[C@]1(C)CCCNC1)c1cccc(C(F)(F)F)c1O	817966287	KJBIRPWRNJOWIG-XHDPSFHLSA-N	316.367	3.451	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)C3CC3)C2)cc1	819582098	HQLDJOURHGBCPZ-HUUCEWRRSA-N	316.445	3.074	10	20	DGCD	
C[C@@H](CSC(C)(C)C)NC[C@@H](N)c1ccc(N(C)C)cc1	817944050	WZPYLNDFRNLWJP-XJKSGUPXSA-N	309.523	3.262	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cccc(OCC)c1O	827750608	KZPVVAOEGIROML-QAPCUYQASA-N	321.417	3.002	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1O	828893373	JVQRJPQCOSMDOO-CXAGYDPISA-N	321.392	3.125	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]2CCCC[C@@H]21	588405439	NRCLHUWCRNHVPV-VOUMOHMSSA-N	301.386	3.292	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](N3CCCCC3)C2)cc1Cl	824709870	PQEAGIHUXDKTAW-HNNXBMFYSA-N	308.853	3.414	10	20	DGCD	
COc1cccc(O)c1CN(CCN(C)C)Cc1ccsc1	839186852	POUKQFXJDODFAU-UHFFFAOYSA-N	320.458	3.026	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(C(=O)O)c(F)c2)c1	833733994	YGWHOACSIKRCSY-SNVBAGLBSA-N	319.332	3.089	10	20	DGCD	
Cc1c(Cl)ccc2c1N(C(=O)/C=C\c1cnn(C)c1)CCC2	736063707	UJJQXZOPGGTZQN-YVMONPNESA-N	315.804	3.375	10	20	DGCD	
CC[C@](C)(CNC(=O)c1cc(C)n(-c2ccccn2)c1C)OC	833798802	FSEBMBRQOYPSKD-GOSISDBHSA-N	315.417	3.034	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1CCO[C@H](CF)C1	840955114	QTWMCNAEVSXSSK-QGZVFWFLSA-N	301.361	3.230	10	20	DGCD	
CC[C@H](N[C@H](C)Cc1ccc(N(C)C)cc1C)c1ccn(C)n1	840894822	UDPATHBCMWHVEK-QAPCUYQASA-N	314.477	3.466	10	20	DGCD	
COc1cccc(O)c1CN1CC2(CCOCC2)[C@@H]1C(C)C	840970348	PWVBQPIRAZDRMB-KRWDZBQOSA-N	305.418	3.038	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C	841756121	RBEOLLGQIJOGTL-LPHOPBHVSA-N	320.477	3.235	10	20	DGCD	
COc1ccc(OC)c(CN[C@@H](C)c2cccc(OC)c2O)c1	846135266	BKOKFLPTZJGCGA-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cccc(F)n2)cc1F	747934450	BJMFXGYWSVBAQL-UHFFFAOYSA-N	305.372	3.496	10	20	DGCD	
Cc1cc(O)c(CN[C@H](CCO)c2ccccc2F)cc1C	842763960	PLEBAYCJCVFSJK-QGZVFWFLSA-N	303.377	3.361	10	20	DGCD	
CCOc1cccc(CN[C@H](CC(=O)OC(C)C)C(C)C)c1O	848926933	JXPKCPMYIGPSFP-OAHLLOKOSA-N	323.433	3.247	10	20	DGCD	
O=C1[C@@H](Sc2ncc(Cl)s2)CCN1CC(F)(F)F	849999142	OLHJDEHFCYIKMS-YFKPBYRVSA-N	316.757	3.052	10	20	DGCD	
CNC[C@H](C)N[C@H](C)c1cc(Br)cc(Cl)c1O	854232448	QDEZLMZXQQHKJK-JGVFFNPUSA-N	321.646	3.067	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	859420457	YDTBFVIMAJNPMU-HSALFYBXSA-N	320.436	3.263	10	20	DGCD	
COC[C@H](NCc1ccc2c(c1)CCO2)c1cccc(OC)c1	850361846	FUIGKOYJTPDQTC-SFHVURJKSA-N	313.397	3.107	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C	858328205	LLLMUIGWZBUODX-OAHLLOKOSA-N	320.433	3.108	10	20	DGCD	
C[C@@H](COCC(F)(F)F)N[C@@H](C)c1cc(F)cc(F)c1O	756488228	MAVWFVFMIUOPOY-YUMQZZPRSA-N	313.266	3.288	10	20	DGCD	
Cc1cnc(CNc2ccccc2OC[C@H]2CCCCO2)[nH]1	850209118	NOGGARRRZQREFI-CQSZACIVSA-N	301.390	3.278	10	20	DGCD	
COc1cc(N2C[C@H]3CC=CC[C@H]3C2)c([N+](=O)[O-])cc1OC	866163158	GUDFEHHNRQXIDZ-TXEJJXNPSA-N	304.346	3.014	10	20	DGCD	
COc1ccc(OCCN[C@H](C)c2ccc(N(C)C)cc2)cc1	764708153	PXHPURCQIRUQFP-OAHLLOKOSA-N	314.429	3.491	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@](O)(C3CC3)C2)cc1F	1116843018	QGVRBPFQCHGSMO-GOSISDBHSA-N	306.425	3.019	10	20	DGCD	
COc1ccccc1CC(C)(C)C(=O)NCc1ccccc1O	769364449	GDXJNOHQEGTNBD-UHFFFAOYSA-N	313.397	3.286	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)Cc2ccnc(OC)c2)c1	877533379	NUYUBUJZRBDJFH-CHWSQXEVSA-N	316.401	3.086	10	20	DGCD	
CCC(=O)N[C@@H]1CCCC[C@H]1CNCc1ccc(OC)c(C)c1	1037121875	GMWFBDLOODKGRU-DLBZAZTESA-N	318.461	3.178	10	20	DGCD	
Cc1ccc(CN[C@H]2CCN(c3ccccc3F)C2)c(O)c1	877546984	ZUOBYRQGVBDOQL-HNNXBMFYSA-N	300.377	3.208	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCCN1CCCCC1=O	1116585290	WLZRCMFHLVFCRD-LSDHHAIUSA-N	316.445	3.241	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(F)c1	776752763	OXQKTHIFUKHRKA-UHFFFAOYSA-N	314.360	3.024	10	20	DGCD	
Cn1ccnc1[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1	775190233	OIBOWUHREBIUSD-GFCCVEGCSA-N	305.809	3.159	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CC[C@H](C2CCOCC2)C1	775724424	CVFZJOJPBOYXSU-LBPRGKRZSA-N	313.800	3.433	10	20	DGCD	
O=C(O)c1cccc(NCc2cc(Br)ccc2O)c1	76275346	HNYXGZRUNGFDQZ-UHFFFAOYSA-N	322.158	3.465	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@H]1C	894044005	HPYDSVDCAQGCFT-ZBFHGGJFSA-N	306.450	3.014	10	20	DGCD	
COC(=O)c1ccc(COc2ccc(N(C)C)cc2)cc1F	798219918	QHMZBHXOEYMYOR-UHFFFAOYSA-N	303.333	3.257	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCOC[C@@H](C2CCC2)C1	793744003	PDNPIWUBWYXWHQ-INIZCTEOSA-N	312.413	3.189	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@H]1CCN(Cc2ccccc2)C1	708419363	BWFKVKMTARKAKU-INIZCTEOSA-N	318.367	3.035	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H](C3CC3)O[C@H](C)C2)c1O	791560428	VYBPPLHZWBLOOR-QLJPJBMISA-N	323.820	3.248	10	20	DGCD	
Cc1cc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)c(C)o1	1327471670	XYNCKHCQAUPDFT-GFCCVEGCSA-N	301.390	3.082	10	20	DGCD	
COCc1cc(CNCc2cc(C)cc(OC)c2O)ccc1F	1262110282	YOLXAKHKBCSZBH-UHFFFAOYSA-N	319.376	3.285	10	20	DGCD	
Cc1cc(O)c(CNCC2(C(=O)O)CCCCC2)c(Cl)c1	1600286844	XJHFUKFSAYLRKR-UHFFFAOYSA-N	311.809	3.479	10	20	DGCD	
COc1ccc(C(C)=O)cc1OCc1cc(C(=O)O)oc1C	1610319374	VQICAKAFUNSMGL-UHFFFAOYSA-N	304.298	3.076	10	20	DGCD	
CC[C@@H](CNCc1cc(C)ccc1O)NC(=O)OC(C)(C)C	227713493	YAEGLEJFJWYGPB-AWEZNQCLSA-N	308.422	3.094	10	20	DGCD	
CC[C@H](C)N(CC(=O)O)Cc1cc(OC)cc(C(C)(C)C)c1O	1594979507	UAXJVMHKJSMUHC-LBPRGKRZSA-N	323.433	3.383	10	20	DGCD	
CC(C)Oc1ccccc1CNCc1ccc(C(=O)O)cc1O	1776362751	JTCFRCDOBIDNGY-UHFFFAOYSA-N	315.369	3.167	10	20	DGCD	
COc1ccc(N2CCC(NCCCOCC(C)C)CC2)cc1	163294048	YJPXMTUTEZJJPX-UHFFFAOYSA-N	320.477	3.316	10	20	DGCD	
C[C@H](SCc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	159124739	SJPJWTGKDMSTAI-LBPRGKRZSA-N	317.410	3.036	10	20	DGCD	
CC1=C(Br)CN(C(=O)Nc2ccc(N)cc2)CC1	841294439	CEINTVPOKFYXDG-UHFFFAOYSA-N	310.195	3.175	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](C)C1	54150380	CULAGUINNRBKCO-ZDUSSCGKSA-N	304.415	3.017	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccs1	21048340	WYLYIYKSJUIFGF-CQSZACIVSA-N	302.443	3.436	10	20	DGCD	
Cc1cccc(CN[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1O	309724043	MZVAMLSBTNOMES-VQIMIIECSA-N	310.441	3.453	10	20	DGCD	
CCOC(=O)c1ccccc1N(CC)C(=O)/C=C/c1cccnc1	118661477	JZZNIOZOVDFSFI-VAWYXSNFSA-N	324.380	3.325	10	20	DGCD	
C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC(C)(C)O1	65224538	FUHUSZVGFRPAFR-LBPRGKRZSA-N	307.434	3.395	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)cc2F)c1	175263448	DKOGPPBMYWHXGI-NSHDSACASA-N	303.333	3.339	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@H](C)CC2)cc1F	303425892	ZPIRPMJADLKCGZ-MQMHXKEQSA-N	307.413	3.270	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CCc3ccc(O)cc3)ccc21	183511643	UKHICIIWDABTCK-UHFFFAOYSA-N	324.424	3.024	10	20	DGCD	
c1cc2c(s1)CCN(Cc1ccc(N3CCOCC3)cc1)C2	124285058	MZYHMHRPVMZJQW-UHFFFAOYSA-N	314.454	3.143	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](Cn2ccnc2)C(C)(C)C)c1	319981729	JRGMCEMQTDUTHG-GUYCJALGSA-N	317.433	3.363	10	20	DGCD	
Cc1cccc(CNCCCc2nc3ccccc3n2C)c1O	181346565	UVDFLIRFWVNELW-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
CC[C@@H](COC)N[C@@H](C)c1cc(Br)ccc1O	185503748	NQUAIERDFWLYAS-ONGXEEELSA-N	302.212	3.230	10	20	DGCD	
C[C@H]1CCC[C@@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21	186833476	IJWFERDTKIXRBR-UONOGXRCSA-N	302.418	3.304	10	20	DGCD	
CCn1c(Sc2ncc([N+](=O)[O-])s2)nnc1-c1ccco1	190310294	NQIIAOBBPAEJTP-UHFFFAOYSA-N	323.359	3.074	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc2ccccc2c1	90662080	BLYIIYKRANBINI-AQTBWJFISA-N	314.344	3.301	10	20	DGCD	
Cc1ccc(O)c(CN(Cc2ccco2)C[C@H]2CCCO2)c1	92437208	BVURDFKYJLIWAI-QGZVFWFLSA-N	301.386	3.475	10	20	DGCD	
CCOc1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1O	92729056	MCBWGNWFDCXFMX-AWEZNQCLSA-N	301.390	3.241	10	20	DGCD	
C[C@H](NCC(C)(C)N(C)C)c1cc(Br)ccc1O	273306022	CTILWWTVYVPHIK-JTQLQIEISA-N	315.255	3.146	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H]2CCO[C@H](C)C2)c1O	271794043	HLUOXRMNHCCOHL-ZWNOBZJWSA-N	314.223	3.120	10	20	DGCD	
Cn1cc([C@@H](NCc2cc(F)ccc2O)c2ccccc2)cn1	371811966	YWHZFDGMVDPKQO-SFHVURJKSA-N	311.360	3.144	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(-n2ccnn2)c1	286879628	ICYPIHYTBZALOG-OAHLLOKOSA-N	321.428	3.184	10	20	DGCD	
CC1(C)CC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1	284391835	PHLZJGAHYVPBBG-GOSISDBHSA-N	302.462	3.174	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@H]1C1CC1	807841115	SGTRPESTJLPFOU-QWRGUYRKSA-N	300.185	3.361	10	20	DGCD	
Nc1ccc(CNC(=O)C2(c3c(F)cccc3F)CCC2)cc1	817877452	KWLMZYIEDGRCDG-UHFFFAOYSA-N	316.351	3.285	10	20	DGCD	
OC[C@]1(CNCc2cc(Cl)ccc2O)C[C@H]1c1ccccc1	810164194	AWWZKGPSBCIZAI-FUHWJXTLSA-N	317.816	3.301	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCC(=O)Nc2ccccn2)c(O)c1	815569506	WTHDNOZCQLFYBT-CQSZACIVSA-N	313.401	3.083	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@H](C)c2ccccc2O)s1	818358306	UDBUAKNICLKOEJ-NXEZZACHSA-N	306.387	3.047	10	20	DGCD	
CO[C@H](CNC(=O)c1sccc1-n1c(C)ccc1C)C1CC1	818540647	XLKPDDMJFRIBQV-OAHLLOKOSA-N	318.442	3.310	10	20	DGCD	
O=C(NCCCc1cccc(Cl)c1)NCc1ccccc1O	726249198	FXLXNTMBJHJWHP-UHFFFAOYSA-N	318.804	3.478	10	20	DGCD	
C[C@@H](NC(=O)c1noc2c1CCCCC2)c1ccccc1O	827940603	GHLUXJSPWOOVSD-LLVKDONJSA-N	300.358	3.140	10	20	DGCD	
CCOc1ccc(N(C)Cc2cc(C(F)(F)F)nn2C)cc1	825468094	FGFBKGZUAKIVEG-UHFFFAOYSA-N	313.323	3.474	10	20	DGCD	
Cc1ccc(O)c(CNCc2cc(Cl)c3c(c2)OCCO3)c1	733324326	PNMZBAUFCNUMDE-UHFFFAOYSA-N	319.788	3.415	10	20	DGCD	
C[C@@H](NCC(C)(C)C1CCOCC1)c1cc([N+](=O)[O-])ccc1O	903244618	ZVLWVRJKTLDWSA-GFCCVEGCSA-N	322.405	3.404	10	20	DGCD	
Cc1ccc(SCCNC(=O)NCc2ccccc2O)cc1	748459378	GKDUEDYLELPFLU-UHFFFAOYSA-N	316.426	3.292	10	20	DGCD	
COc1ccc(N2CCCN([C@@H](C)c3cccnc3)CC2)cc1	918186708	GZOQSLHZFKWPET-INIZCTEOSA-N	311.429	3.364	10	20	DGCD	
CCCC(CCC)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	846663236	GDUSRUZSEDBHCC-KRWDZBQOSA-N	305.466	3.085	10	20	DGCD	
CC[C@](CNCc1ccccc1O)(C(=O)OC)c1ccccc1	840977199	GGUJHBZHUJIYKZ-LJQANCHMSA-N	313.397	3.003	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(OC)o2)cc1	846790561	VBHPSYXCRXTMSI-UHFFFAOYSA-N	316.401	3.407	10	20	DGCD	
CC[C@H](CCC(=O)O)NCc1ccc(N(CC)CC)c(F)c1	841810119	FRIJIMAOAWPBLE-CQSZACIVSA-N	310.413	3.405	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cccc(OC)c2O)c(OC)c1	846142219	XRUDYXHURDWPLY-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
CN(C)c1ccc(CNc2cccc([C@@H]3CCC(=O)N3)c2)cc1	840972055	GIBIIOFHWUIRBP-SFHVURJKSA-N	309.413	3.316	10	20	DGCD	
C[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)[C@H]1CCN	844900684	CQEYFWAGPMEDNQ-GWCFXTLKSA-N	300.805	3.134	10	20	DGCD	
COc1cccc([C@H](C)NCC(C)(C)c2ccccn2)c1O	846169678	JYIQERMNMIFKCA-ZDUSSCGKSA-N	300.402	3.424	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3C[C@H](C)O[C@H]3C)CC2)cc1	840872323	KNKZXJBVEMUSHJ-JYJNAYRXSA-N	318.461	3.067	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ncc(Cl)s2)C1	849998934	UMOJGVXNLWOMNS-RKDXNWHRSA-N	304.868	3.393	10	20	DGCD	
CC(C)[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H](O)c1ccccc1	841297556	SWHUWXCHXDGACP-SJORKVTESA-N	313.401	3.149	10	20	DGCD	
CC(=O)NCc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1	757606219	ZFTVUZFAJRFQMW-LLVKDONJSA-N	302.349	3.341	10	20	DGCD	
COCc1cccc(COC(=O)/C=C\c2ccc(O)c(O)c2)c1	759580224	ORMPVWNSYKURKL-VURMDHGXSA-N	314.337	3.001	10	20	DGCD	
CN(Cc1ccccn1)Cc1cc(Br)ccc1O	757888905	AKZFWTZYFJUCEE-UHFFFAOYSA-N	307.191	3.182	10	20	DGCD	
CCOc1ccc(CN(C)Cc2ccccc2OC)c(O)c1	768162329	BBBMRVWBEXDWHX-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1C	766775593	GJPZEHSDEMGVJV-GJZGRUSLSA-N	315.461	3.257	10	20	DGCD	
CC[C@@](C)(CN(Cc1ccccc1O)C[C@@H]1CCCO1)OC	876531421	FXPVABHACSTLKH-WMZOPIPTSA-N	307.434	3.188	10	20	DGCD	
C[C@@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(N(C)C)cc1	773080758	NCESALLWRYLRBC-WBVHZDCISA-N	318.461	3.131	10	20	DGCD	
CCCN(C)C[C@@H]1CCN(Cc2ccc(N(C)CC)cc2)C1	773753300	FPKRKPBNANIQNY-SFHVURJKSA-N	303.494	3.306	10	20	DGCD	
CN(C)[C@H](CNCc1cc(F)cc(F)c1O)c1cccs1	882880011	XWDDYTJNLIOSRS-CYBMUJFWSA-N	312.385	3.124	10	20	DGCD	
Cc1c(N[C@H](C)c2ccccc2O)cccc1N1CCNC1=O	786985166	LZXRPXOWUPTNTC-CYBMUJFWSA-N	311.385	3.403	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cn(CC)nc1C	891435671	FYQCXWCDOGBGKN-UHFFFAOYSA-N	300.450	3.300	10	20	DGCD	
CC[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(OC)cc2O)C1	792957063	OPYKFKFGHROAOD-TZMCWYRMSA-N	306.406	3.169	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCC3(CCNCC3)C2)c1O	1328413267	XHUREYDJVLDESA-UHFFFAOYSA-N	324.852	3.020	10	20	DGCD	
CCc1nc(NC(=O)c2sccc2-n2c(C)ccc2C)n[nH]1	1320708907	UWULWHRQGAEPST-UHFFFAOYSA-N	315.402	3.088	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1nccnc1C	1345958154	ORKFHXIPQXDYQH-UHFFFAOYSA-N	314.389	3.325	10	20	DGCD	
CC[C@@](C)(C(=O)O)N(Cc1ccc(F)c(F)c1O)CC1CC1	1594787335	APJIFYYFYFUPCZ-INIZCTEOSA-N	313.344	3.136	10	20	DGCD	
COc1ccc(Br)c(C(=O)Nc2ccc(N)cc2)c1	19519082	WVHSRUTYUHSRKY-UHFFFAOYSA-N	321.174	3.292	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCC[C@H](C2OCCO2)C1	172490735	FHKWCGSRLTUVFL-HNNXBMFYSA-N	313.397	3.130	10	20	DGCD	
Cc1nc(C)c(C(=O)NCc2c(O)ccc3c2CCCC3)s1	174518838	YJZIZLVAARGHLR-UHFFFAOYSA-N	316.426	3.274	10	20	DGCD	
COc1cccc(CNC(=O)NCc2cccc(Cl)c2)c1O	73430461	OYOLBGXUGKHBGV-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
C[C@H](C1CC1)n1cc(NC(=O)N(C)Cc2ccccc2O)cn1	189812177	NEQBRECZANJMKO-GFCCVEGCSA-N	314.389	3.224	10	20	DGCD	
CCS[C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	180847526	RMWRRTTUYUTRDN-GPJUQDOMSA-N	321.442	3.292	10	20	DGCD	
CN1CCCN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21	78150167	PPGLCFJDWLZASH-BQYQJAHWSA-N	311.360	3.107	10	20	DGCD	
C[C@H](Nc1cnn(Cc2ccncc2)c1)c1cc(F)ccc1O	186390020	MIPJWADLLGBTBK-LBPRGKRZSA-N	312.348	3.344	10	20	DGCD	
CO[C@]1(CN[C@H](C)c2ccc3ccccc3c2O)CCOC1	317882180	UNJJBKUEVQSFTF-ACJLOTCBSA-N	301.386	3.002	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)c1ccc(F)cc1)c1cc(F)ccc1O	185469068	MMCDUNGKCRKZNA-DINDLPBHSA-N	307.340	3.443	10	20	DGCD	
Cc1ncc([C@@H](C)NCCCSc2nccs2)c(C)n1	132208406	UVIHDXVFQFBSJV-SNVBAGLBSA-N	308.476	3.383	10	20	DGCD	
Oc1ccccc1CNCc1cc(Cl)c2c(c1)OCCO2	134228048	YMJYXVPRGCSMME-UHFFFAOYSA-N	305.761	3.107	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccncc1	131492888	NPLQZUUTJBTEID-CYBMUJFWSA-N	315.392	3.097	10	20	DGCD	
CS[C@@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1	458746810	QSBHONQWKNLXJN-CYBMUJFWSA-N	317.458	3.134	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC=C(F)C1	274089179	IHEZYZQQHSVLPC-UHFFFAOYSA-N	303.381	3.056	10	20	DGCD	
CCn1cc(CN[C@H](C)c2ccc(Br)cc2O)cn1	273477734	LCNYURDVYAIAFC-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
COc1ccc(NC(C)=O)cc1NCc1cccc(C)c1O	378965837	UKWHHMIPKFTYDV-UHFFFAOYSA-N	300.358	3.280	10	20	DGCD	
CC[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(C)cc1O	280113117	NSKRAFFMCPHDML-ZBFHGGJFSA-N	305.418	3.427	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CCc2ccncc2)C2CC2)cc1	298716420	IQYMLPMMRXRATO-UHFFFAOYSA-N	323.440	3.271	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)CC[S@@](C)=O)c1O	808706835	VYUVASWAIVIZHU-ZHYXMNDGSA-N	303.855	3.162	10	20	DGCD	
CCOc1ccc(CN[C@H]2CCc3ccccc3OC2)c(O)c1	800890140	HHDIISLWVMFNIM-INIZCTEOSA-N	313.397	3.274	10	20	DGCD	
COCCN(Cc1ccccn1)Cc1c(O)ccc(Cl)c1F	809734277	CHYLWXLTUVGNTG-UHFFFAOYSA-N	324.783	3.228	10	20	DGCD	
Cc1nc(CN)ccc1[C@H](C)NCc1ccc(N2CCCC2)cc1	817900827	WPVASPJFHMDVFM-HNNXBMFYSA-N	324.472	3.300	10	20	DGCD	
Cc1cc(CN2CCC([C@H]3CCOC3)CC2)ccc1N(C)C	815091869	SUTWGZMZZAZZFX-SFHVURJKSA-N	302.462	3.310	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccnc2c1c(C)nn2C	817119278	YYHLEZCOAKPCMN-UHFFFAOYSA-N	309.417	3.263	10	20	DGCD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H](C)c1ccccc1O	827940854	JKYWWTYSLBYYRR-GHMZBOCLSA-N	301.390	3.103	10	20	DGCD	
COc1cccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)c1O	822529347	DADFVFREKVMVPL-GOSISDBHSA-N	317.429	3.182	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)CCCc2cccnc2)c1	834650100	GAEYKEFHFIQFMA-AWEZNQCLSA-N	300.402	3.297	10	20	DGCD	
C[C@@H](c1cccs1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	588403558	PEPOGYSJZVFRFP-JYKYSHPRSA-N	303.383	3.392	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COC1(C)CCC1	746146787	AFBZXCMZZNQDTB-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(CC)CCCN2)cc1	844167168	SVPFFBFWWOWFOA-LJQANCHMSA-N	317.477	3.023	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C)c1nccc(N)n1	846894082	PQRRSJRCLJMILB-ZDUSSCGKSA-N	300.406	3.128	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CS[C@@H](C)C2)cc1	840262032	BVJGCRXEULHJAR-DZGCQCFKSA-N	321.490	3.226	10	20	DGCD	
CCCCCn1cc(CNC(=O)Nc2ccc(N)cc2)c(C)n1	841297920	KWDFIQZOCRJPCN-UHFFFAOYSA-N	315.421	3.286	10	20	DGCD	
CN(CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1O	744403067	VAZIXGKMIWXZME-UHFFFAOYSA-N	320.339	3.131	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]1c1ccco1	840483468	AMRSUDLMIPDGCI-HZPDHXFCSA-N	313.401	3.043	10	20	DGCD	
CCc1ncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1	840909938	IWXWYJUHKAAEGY-UHFFFAOYSA-N	310.445	3.270	10	20	DGCD	
CC(C)[C@H](O)C1(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1	756792207	ZWWGUFCLFNUFQF-ZUCKAHLUSA-N	307.409	3.466	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@H](O)c2ccccc2)c2c(O)ccc(F)c21	756355695	VKYNRNFUCVPQQD-WPGHFRTFSA-N	301.361	3.403	10	20	DGCD	
Cc1cc(C(=O)O[C@@H](C)c2cnccn2)c(C)n1-c1ccccn1	751159021	RUPGNFIJNAAHDA-AWEZNQCLSA-N	322.368	3.197	10	20	DGCD	
CCOc1ccc(CNc2nc3cc(F)ccc3n2C)c(O)c1	766109198	UISSRPTTYXMTIC-UHFFFAOYSA-N	315.348	3.429	10	20	DGCD	
C[C@@H](NC[C@H](O)c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1	764769809	LLBYIPYMNUJLPR-XIKOKIGWSA-N	320.383	3.415	10	20	DGCD	
O=C1CCCN1c1ccc(NCc2cccc(Cl)c2O)nc1	776252569	GSAHHOMCWFSVIH-UHFFFAOYSA-N	317.776	3.180	10	20	DGCD	
CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	775409889	HNYCDJSDGHPLOD-ZDUSSCGKSA-N	310.397	3.446	10	20	DGCD	
Cc1cc(COC(=O)c2cccc(O)c2O)c2ccccc2n1	776282669	UNQSSGRRBPDWSG-UHFFFAOYSA-N	309.321	3.311	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](O)c2cc(F)cc(Cl)c2)cc1	785608981	IIAXPWHDDGMKOC-KRWDZBQOSA-N	322.811	3.368	10	20	DGCD	
Oc1c(Cl)cccc1CN1C[C@@H](O)[C@H](Cc2ccccc2)C1	898142801	SNFRPZXYBVAVML-NVXWUHKLSA-N	317.816	3.081	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCC[C@@H]2C)c1	798510121	KNBMVUFJFWQBLM-RWMBFGLXSA-N	306.406	3.197	10	20	DGCD	
CC[C@@H](N[C@H](CO)Cc1ccccc1C)c1ccc(F)cc1O	796959207	LVPHIPBKPZRZGX-FUHWJXTLSA-N	317.404	3.484	10	20	DGCD	
CC[C@@](C)(CCO)NCc1ccc(N(C)C)cc1C(F)(F)F	793011437	VEDGLIAORJATQV-HNNXBMFYSA-N	318.383	3.412	10	20	DGCD	
CCN(Cc1cccc(Br)c1O)C[C@H]1CCOC1	768521445	QRMZTGLFZZRFKC-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
O=C(NCc1ccccc1O)C(F)(F)c1ccc(Cl)cc1	1319272317	GRVLDTKRSSDXCL-UHFFFAOYSA-N	311.715	3.454	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(C)nc2C)c1	1321036628	BIBRQJYIWMHZBT-NSHDSACASA-N	300.358	3.364	10	20	DGCD	
C[C@H]1CCCCN1C[C@H]1CCCN(Cc2ccc(N)cc2)C1	1334753951	KBWPDRMYWWFJJA-WMZOPIPTSA-N	301.478	3.355	10	20	DGCD	
CO[C@H](CNCc1cc(F)cc(F)c1O)c1ccc(F)cc1	1262030478	LHEDETIRKLHPIB-OAHLLOKOSA-N	311.303	3.287	10	20	DGCD	
O=C(O)c1cnc(Sc2c(F)cc([N+](=O)[O-])cc2F)s1	1608978993	CULZIRLSSJKDOD-UHFFFAOYSA-N	318.282	3.179	10	20	DGCD	
CN(C)c1ccc(OC[C@H]2CC2(Cl)Cl)cc1C(=O)O	1598328332	HNUILZSYIJEOTK-MRVPVSSYSA-N	304.173	3.023	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1[C@H]2c3ccccc3C[C@@H]12	155585827	WRRHTINZKVBPJV-LNLFQRSKSA-N	322.408	3.120	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc3[nH]ccc3c2)c1	107767635	SBKXTRRXFJZCGU-NSHDSACASA-N	310.353	3.373	10	20	DGCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2CC2)cc1	103413753	QMEWRTBVGTYANU-UHFFFAOYSA-N	300.324	3.054	10	20	DGCD	
COc1cccc(CNC(=O)NC2[C@H](C)CCC[C@H]2C)c1O	175819237	AMELHMVQRKZJDB-VXGBXAGGSA-N	306.406	3.025	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@@]1(O)CCCc2ccccc21	113340299	KTEAVQRZYIYETC-SFHVURJKSA-N	317.816	3.359	10	20	DGCD	
C[C@@H](NCCN1CCc2ccccc2C1)c1ccc(F)cc1O	184923704	OEWNYHABWHDXMT-CQSZACIVSA-N	314.404	3.240	10	20	DGCD	
CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(O)c1O	182507938	WZLVUUBKTNDEHW-OAHLLOKOSA-N	313.397	3.500	10	20	DGCD	
COc1cc(N(C)Cc2cccnc2C)cc(OC)c1OC	180755535	ZAGXVJHHDPEPKV-UHFFFAOYSA-N	302.374	3.052	10	20	DGCD	
CC(=O)Nc1ccc(CCN[C@H](C)c2ccc(F)cc2O)cc1	185338039	CSIVZOCMIVJCGM-GFCCVEGCSA-N	316.376	3.383	10	20	DGCD	
CSCC[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1	76781347	ZQAVYAZKROLNMX-ZDUSSCGKSA-N	309.479	3.036	10	20	DGCD	
CC[C@H](CCO)CN[C@@H](C)c1ccc(Br)cc1O	185677440	NGJMYEGKWWYIHS-WDEREUQCSA-N	316.239	3.214	10	20	DGCD	
CCCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)cn1	185397888	UATWEBGPJXVBSN-CYBMUJFWSA-N	316.401	3.435	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CC1CCCCC1	324320315	UMCXEFFQYVRHSZ-SFHVURJKSA-N	317.477	3.009	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CC3CCSCC3)ccc21	135432682	UAUGWVUBQGWCSH-UHFFFAOYSA-N	318.486	3.219	10	20	DGCD	
COc1cc(Cl)cc(CN2CCSC[C@H](C)C2)c1O	190845456	AOCDMXKRUGGYEM-SNVBAGLBSA-N	301.839	3.239	10	20	DGCD	
CCNC(=O)c1cccc(N[C@@H](C)c2cc(OC)ccc2O)c1	320002765	HEVGIVNKSXTROV-LBPRGKRZSA-N	314.385	3.324	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N1CCc2ccccc21	192498391	HUCNECYHEYWGOX-UHFFFAOYSA-N	309.413	3.367	10	20	DGCD	
CCc1nc(C)c(C(=O)Nc2c(Cl)ccc3nonc23)s1	1346941828	ZNABSAGWOMZPSU-UHFFFAOYSA-N	322.777	3.456	10	20	DGCD	
CCN(CC)c1ccc(CN[C@](C)(CC)CC(=O)OC)cc1	236908923	ZDHMOFYTAOBROA-GOSISDBHSA-N	306.450	3.354	10	20	DGCD	
O=C1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCN1	255171934	WTXLMRWLUILUHS-UHFFFAOYSA-N	323.356	3.066	10	20	DGCD	
COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1ccc(N)cc1	269232856	PYZXUJPBLKYQNZ-SFHVURJKSA-N	310.397	3.014	10	20	DGCD	
CCC[C@@H](NCc1cc(OC)ccc1O)[C@@H](O)c1ccccc1	279635316	IPONGNXJFLOLFD-MJGOQNOKSA-N	315.413	3.393	10	20	DGCD	
Oc1ccccc1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21	289243201	DTZSPRUOOBQYOT-CEXWTWQISA-N	309.409	3.397	10	20	DGCD	
C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(N2CCCCC2)cc1	282317588	NJCQEUYCYHJJKO-OYHNWAKOSA-N	320.502	3.239	10	20	DGCD	
O=C(NCc1ccccc1O)NC[C@@H]1CCCCC(F)(F)C1	291931882	SKEHSRSZWWBRQM-GFCCVEGCSA-N	312.360	3.407	10	20	DGCD	
COCCN(Cc1cccnc1)Cc1cc(Cl)ccc1O	809740693	ARRYEILXFIKALW-UHFFFAOYSA-N	306.793	3.089	10	20	DGCD	
CCOc1ccc(CNC[C@@H](O)c2cc(C)cc(C)c2)c(O)c1	800897234	GTBREIPIRSKINQ-LJQANCHMSA-N	315.413	3.231	10	20	DGCD	
C[C@H](NCc1ccc2ccccc2c1O)C(=O)OC(C)(C)C	816528888	WBNRABHWAZHJAM-LBPRGKRZSA-N	301.386	3.365	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)C3CCC3)C2)cc1	819586529	ANANYYVWARXLAX-HUUCEWRRSA-N	316.445	3.074	10	20	DGCD	
COc1cccc(O)c1CNC[C@@]1(C)OCCc2sccc21	810170328	IQEGDNANKHMLDL-QGZVFWFLSA-N	319.426	3.040	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](O)CNCc1ccc(N(C)C)c(F)c1	818985241	PJQOQDMGXRUWHZ-IFXJQAMLSA-N	316.420	3.146	10	20	DGCD	
CCOc1cccc(CN(C)C[C@](C)(O)c2ccccc2)c1O	822516778	PSRGGNGYAHAQLS-IBGZPJMESA-N	315.413	3.130	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CC3CC(F)(F)C3)ccc21	825510519	AWQIJOGYTPIKRM-UHFFFAOYSA-N	308.372	3.121	10	20	DGCD	
Cc1c(Cl)cncc1NCc1ccc(N2CCOCC2)cc1	824494442	ANVLYMWEBVLHDA-UHFFFAOYSA-N	317.820	3.492	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=S)NCc2cccs2)c1	728793439	SFAPTHMJXUWSCT-SNVBAGLBSA-N	322.455	3.188	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCOC(C)(C)C2)c1	834913061	YXQVEDUPUMRXLJ-STQMWFEESA-N	321.417	3.035	10	20	DGCD	
Cc1csc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	831140354	JNUTUDIYBMCKSK-GFCCVEGCSA-N	324.471	3.162	10	20	DGCD	
CN(C)c1ccc(CNC(=O)/C=C/c2cccs2)cc1F	746798978	UPEKQYXBQZIZIA-SOFGYWHQSA-N	304.390	3.283	10	20	DGCD	
CC[C@@H](N[C@H](C)Cc1ccc(N(C)C)cc1C)c1ccn(C)n1	840894819	UDPATHBCMWHVEK-CRAIPNDOSA-N	314.477	3.466	10	20	DGCD	
Nc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)cc1	841301191	FKLJNXDVVSYGRB-IAGOWNOFSA-N	311.385	3.311	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@H](CN)C2)cc1	843048388	QBOUFWWLPGKUBG-HXUWFJFHSA-N	323.484	3.494	10	20	DGCD	
O=C(NCc1ccccc1O)c1cccn1Cc1cccs1	748346288	UXTLZRSELMSJNN-UHFFFAOYSA-N	312.394	3.234	10	20	DGCD	
CC[C@@H](CNCc1cc(OC)c(OC)cc1O)CC(F)(F)F	840960645	RKDVMAGOXTUOOF-SNVBAGLBSA-N	321.339	3.478	10	20	DGCD	
CCn1cc(CC(=O)NCCc2ccc(N)cc2)c2ccccc21	846665732	OCMBJVQFVOOCJY-UHFFFAOYSA-N	321.424	3.145	10	20	DGCD	
C[C@@H]1C[C@@H](NCCN(C)CC(F)(F)F)c2c(O)ccc(F)c21	756568405	DSNPPJMIGDZZQD-MWLCHTKSSA-N	320.330	3.163	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)OCCC(C)C)C2)cc1	859196053	JACHFJQLQOBHCB-OAHLLOKOSA-N	320.433	3.294	10	20	DGCD	
CCOc1ccc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)cc1	752436988	FQHVQKVJZLIGAV-UHFFFAOYSA-N	322.368	3.147	10	20	DGCD	
C[C@@H](NCCN1CCCCC1)c1cc2c(cc1O)CCCC2	756396855	LTYODJDPYBXVSI-OAHLLOKOSA-N	302.462	3.408	10	20	DGCD	
C[C@@H](NCCc1nc2c(s1)CCC2)c1c(O)cccc1F	926928359	DMWGYBXJEKAQSZ-SNVBAGLBSA-N	306.406	3.370	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(-c2ccc(F)cc2)on1	762531860	ZGEVFFNJNYJJCX-UHFFFAOYSA-N	312.300	3.116	10	20	DGCD	
COC(=O)CN(Cc1ccccc1)Cc1c(O)cccc1Cl	768683053	KMLJOXXASBULPG-UHFFFAOYSA-N	319.788	3.221	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC(n3ccnc3)CC2)cc1F	862236157	PVJSKPWHLDCTPU-UHFFFAOYSA-N	320.387	3.064	10	20	DGCD	
COc1cc(Br)cc(CN2C[C@H](C)C[C@H]2C)c1O	769471423	UHPUGHQVPKIPNE-NXEZZACHSA-N	314.223	3.394	10	20	DGCD	
Cc1cc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1	867302535	QUNSTOXUSKRFMW-JTQLQIEISA-N	305.399	3.137	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)C[C@@H]3CCOC3)CC2)cc1	766583238	RYHUVCCYLMUPHV-HOTGVXAUSA-N	318.461	3.069	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(F)cn1)c1ccc(N(C)C)cc1	775729734	PUNAQLSUQCQMCX-LLVKDONJSA-N	302.353	3.169	10	20	DGCD	
C[C@H](CCCNCc1cc(Cl)cc(Cl)c1O)C(=O)O	1116779163	FXKAECZTLLMTJF-MRVPVSSYSA-N	306.189	3.290	10	20	DGCD	
CCCCOc1cccc(CNC(=O)c2cccc(O)c2O)c1	776336510	SBMCADWZFPRPAK-UHFFFAOYSA-N	315.369	3.207	10	20	DGCD	
Cc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)c(O)c1O	770505913	OACQDNPVXCGNHT-UHFFFAOYSA-N	317.307	3.211	10	20	DGCD	
CC[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1	773105574	HWXYOTQFKKWLIE-GXTWGEPZSA-N	304.356	3.107	10	20	DGCD	
CC(C)[C@H](NCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C	776251767	ZLARTKNXBPJTDH-INIZCTEOSA-N	306.450	3.209	10	20	DGCD	
Fc1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1F	779708208	XMUCSEGRFFOTLK-UHFFFAOYSA-N	315.323	3.345	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CNc2ccccc21	1121957675	ZUKVWJPODWXBBD-QGZVFWFLSA-N	322.408	3.097	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)C(F)F	881012654	HRMQKIFCIUOCLR-LBPRGKRZSA-N	300.349	3.358	10	20	DGCD	
Cc1ccc(C(=O)Nc2n[nH]c3c(Cl)cccc23)c(O)c1O	780987316	VWFLQXMGPCZOCC-UHFFFAOYSA-N	317.732	3.188	10	20	DGCD	
CCOC(=O)[C@](C)(NCc1ccc(C)cc1O)c1ccccc1	895896682	YVIACDKTFBDTLY-LJQANCHMSA-N	313.397	3.269	10	20	DGCD	
CCN1C(=O)/C(=C\c2nccn2-c2ccccc2)SC1=S	790212303	TULOBOYBPOSSLS-ZRDIBKRKSA-N	315.423	3.093	10	20	DGCD	
C[C@@H](NCCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1O	185314079	IRQFFVCMMNINEF-LLVKDONJSA-N	312.385	3.049	10	20	DGCD	
CC(C)O[C@H](COC(=O)c1cccc(O)c1O)c1ccccc1	795537333	XMQXPVBTWPSLAG-MRXNPFEDSA-N	316.353	3.421	10	20	DGCD	
OC1(CNCc2ccc3c(c2)CCN3Cc2ccccc2)CCC1	796296671	DLGLBMFHHVRMMU-UHFFFAOYSA-N	322.452	3.254	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)CN[C@@H]1CCc2cccc(O)c21	697820967	AIWLRTJRLQUKGS-TZMCWYRMSA-N	320.433	3.130	10	20	DGCD	
CC(=O)c1cccc(C(=O)Nc2c(Cl)ccc3nonc23)c1	1329518611	LOOPOARDSMIERE-UHFFFAOYSA-N	315.716	3.331	10	20	DGCD	
O=C(CCC1CCOCC1)Nc1c(Cl)ccc2nonc12	1329518831	NWJVLMAPMJZTBA-UHFFFAOYSA-N	309.753	3.022	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc(OC(F)F)c2)cc1	18215108	OSGCHNWZQYVTBH-UHFFFAOYSA-N	320.339	3.284	10	20	DGCD	
Nc1ccc(CC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1	158800103	TYVCMYFRLSITRQ-INIZCTEOSA-N	312.388	3.042	10	20	DGCD	
Cc1cc(NC(=O)CSc2ncc(C(C)(C)C)s2)no1	164096437	DQAHESIZZIBBBK-UHFFFAOYSA-N	311.432	3.468	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1	168982522	HLVKPPIYQQFPEO-KSZLIROESA-N	300.446	3.190	10	20	DGCD	
CC(C)CCO[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	58770474	JSIGXGVSWZZKTH-HNNXBMFYSA-N	318.461	3.136	10	20	DGCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc2ccccc2c1	26763660	FYTFKIGPHHARGD-VBKFSLOCSA-N	324.405	3.142	10	20	DGCD	
Cc1cc(O)c(CN2CCN([C@H](C)C(F)(F)F)CC2)cc1C	176068468	LARQRAXNVMMICU-CYBMUJFWSA-N	316.367	3.077	10	20	DGCD	
C[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccccc1O	179875887	UPVRHBPJCOKQQU-NSHDSACASA-N	304.777	3.335	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCOC2)c(C)n1-c1cccc(Cl)c1	179215840	FOHOEYIAUHUHAW-AWEZNQCLSA-N	318.804	3.266	10	20	DGCD	
Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(C)c1	128427797	ZRQBMWGPQOMLNY-UHFFFAOYSA-N	300.358	3.079	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC2(CCO)CCCCC2)c1	185669431	BNZGGYROSRJRJJ-CQSZACIVSA-N	307.434	3.384	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2cc(C)ccc2O)C1	185657343	UWXNLBUGRIUJOJ-HFZMZTSTSA-N	309.475	3.431	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)c2ccsc2)c1	131084962	CKDPXXBOJTZJHY-WDEREUQCSA-N	305.399	3.443	10	20	DGCD	
Cc1ccc([C@H](C)NCCCCN2C[C@@H](C)O[C@H](C)C2)c(O)c1	185206779	SFFWNLMLNYQFHO-ZACQAIPSSA-N	320.477	3.241	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)NC(C)C	80665379	ZRSVMBYGDYUCLZ-UHFFFAOYSA-N	315.211	3.095	10	20	DGCD	
Cc1c(F)cccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	190972749	BXROHMHTRRYMJS-SNVBAGLBSA-N	318.348	3.298	10	20	DGCD	
Nc1ccc(CC(=O)NCCc2ccc3ccccc3c2)cc1	237901821	YNCABBFZARIDGY-UHFFFAOYSA-N	304.393	3.323	10	20	DGCD	
C[C@H](NC[C@@H]1CCCC[C@H]1O)c1cc2c(cc1O)CCCC2	248520248	QWBGWQBSOZDKOI-QANKJYHBSA-N	303.446	3.473	10	20	DGCD	
CC(C)(C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	248241340	FCNJFFMVVURZKV-HNNXBMFYSA-N	305.418	3.336	10	20	DGCD	
CCOCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	264010827	XGJIDUDJNCYRST-UHFFFAOYSA-N	304.434	3.062	10	20	DGCD	
COc1cc2c(cc1NCC(=O)N1CCC1)oc1ccccc12	267183522	FYYXSDRJRQRAOC-UHFFFAOYSA-N	310.353	3.239	10	20	DGCD	
CC(=O)Nc1cccc2c1CCCN2C(=O)/C=C/c1cccnc1	368777665	ONZJLYNYZAECHN-MDZDMXLPSA-N	321.380	3.033	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC12CCCCC2	364998202	ZMKVCIHRHJLREJ-SOFGYWHQSA-N	301.386	3.436	10	20	DGCD	
Cc1c(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)n(C)c2ccccc12	456032362	UDHWJOGEJWMDEY-HBUWYVDXSA-N	312.413	3.061	10	20	DGCD	
Cc1cccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O	271762247	FBGZHDQLBDKXAC-HZPDHXFCSA-N	301.386	3.382	10	20	DGCD	
CCOC1CC(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1	276569335	HBPUQZCCTRDJQH-DCBWTQNWSA-N	308.378	3.156	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCC[C@@H](C)CO	283632497	NFLBDSHVOFRQCH-OAHLLOKOSA-N	322.449	3.113	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C1CCC1)C1CCC1	285896622	UQFXTCXSDUMJOY-GFCCVEGCSA-N	317.429	3.361	10	20	DGCD	
CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(C)c2)C1	283199359	GIIXMBMBVIJUKM-IWAYRVGRSA-N	308.381	3.008	10	20	DGCD	
Clc1ccc2c(n1)CC[C@@H]2NCc1ccc2c(c1)CCO2	806138082	VPEMJEZCMVYMHX-AWEZNQCLSA-N	300.789	3.447	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2nnc(C(C)C)[nH]2)cc1	296421191	LIZWKEOIUPEBSE-CYBMUJFWSA-N	301.438	3.235	10	20	DGCD	
C[C@H]1[C@@H](N2CCCC2)CCN1Cc1cc(Cl)cc(F)c1O	809724019	CUKNVMPEOPQTII-NHYWBVRUSA-N	312.816	3.243	10	20	DGCD	
c1cncc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1	809728552	BCAMSVWGQIIQTM-FQEVSTJZSA-N	323.440	3.255	10	20	DGCD	
CCC(=O)N1CC[C@@H](N[C@H](C)c2cc(Cl)cc(C)c2O)C1	808702201	CPPIMRDUHSCWAZ-DGCLKSJQSA-N	310.825	3.016	10	20	DGCD	
OC[C@]1(CNCc2cccc(Cl)c2O)C[C@H]1c1ccccc1	291692061	YFFMVJNLVLWSHH-MAUKXSAKSA-N	317.816	3.301	10	20	DGCD	
C[C@H](CNCc1cc(Cl)c(F)cc1O)CN1CCCC1	816536443	XVXXOJLKGWSXMW-LLVKDONJSA-N	300.805	3.006	10	20	DGCD	
C[C@@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Cl)c2O)C1	817412544	MJWQCBXQVVECKO-ZJUUUORDSA-N	304.217	3.149	10	20	DGCD	
CN(Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCC[C@H]1O	816564439	GFKFHRYIXDOZEO-QMTHXVAHSA-N	301.789	3.168	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2ncc[nH]2)cc1	816719427	ZNMUWTALGOWXFU-CQSZACIVSA-N	308.385	3.308	10	20	DGCD	
CCCN(Cc1cn(-c2ccccc2)nn1)Cc1ccccc1O	727830961	YFYDHGJMKJSJQE-UHFFFAOYSA-N	322.412	3.385	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCSC2)cc1F	810370668	KEUFCXLUBZWLGZ-CQSZACIVSA-N	324.465	3.431	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C	821803243	DRQDPQPNRKDOGU-ZDUSSCGKSA-N	323.400	3.035	10	20	DGCD	
CCOc1ccc(CN(C)C[C@](C)(O)c2ccccc2)c(O)c1	822515433	ASJCITGQSSKMOB-IBGZPJMESA-N	315.413	3.130	10	20	DGCD	
C[C@H](NC(=O)N[C@H]1CCS[C@@H]1C)c1ccc(N(C)C)cc1	826532604	WJIMSYFMCWUCHN-ZOWXZIJZSA-N	307.463	3.007	10	20	DGCD	
CC[C@@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1	733090565	MHFYDMDTHHVSMY-QGZVFWFLSA-N	304.434	3.107	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1	839190489	GLIZXYFRBNUQKD-MDASCCDHSA-N	300.446	3.442	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC2(O)CCCC2)cc1	746105509	XZCOACQWZREYCN-UHFFFAOYSA-N	318.461	3.186	10	20	DGCD	
CCc1cccc(CNCc2nc3cc(C)ccc3n2C)c1O	848902449	DMQVEXFYXQHRIH-UHFFFAOYSA-N	309.413	3.440	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1CCCN(C(C)C)C1	840932382	PXGHSDVMIUPFNL-KRWDZBQOSA-N	303.494	3.271	10	20	DGCD	
CCC[C@@](C)(O)CNC(=O)c1sccc1-n1c(C)ccc1C	743771491	FJNWGHBMRNSIJT-QGZVFWFLSA-N	320.458	3.437	10	20	DGCD	
Cc1ccc(C(=O)NCc2cnccc2C(C)(C)C)c(O)c1O	840508819	JJVVOUNLQSPZGR-UHFFFAOYSA-N	314.385	3.029	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](C)N2CCC(C)CC2)c1O	846142743	VUCSIPPKGYJTJS-HUUCEWRRSA-N	306.450	3.172	10	20	DGCD	
COc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)C(C)C)cc1F	749151573	TXVBIVNURWUYLZ-CQSZACIVSA-N	322.424	3.308	10	20	DGCD	
COc1cccc([C@H](C)NCCCN2C[C@H](C)C[C@@H](C)C2)c1O	846140366	PKGMKHAJJDLPHR-OAGGEKHMSA-N	320.477	3.419	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@H]2CC[C@H]1C2	748810198	SCNASINLLMUZLC-GBESFXJTSA-N	314.473	3.391	10	20	DGCD	
CCCCC[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)C(C)(C)C	841038286	IRVCXBGSNQKGTF-HNNXBMFYSA-N	319.449	3.319	10	20	DGCD	
CC1CCN(CCCN[C@H](C)c2cc(F)cc(F)c2O)CC1	756361243	JQKHYCNQKJPNKE-CYBMUJFWSA-N	312.404	3.443	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cc2ccccc2o1	758170145	ITCIFGXGSGWFLN-UHFFFAOYSA-N	307.302	3.078	10	20	DGCD	
C[C@@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1O	850583520	OLSNBFBEGRYOCI-PSLIRLAXSA-N	311.303	3.194	10	20	DGCD	
CCCc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)s1	857202521	PIGGZKDATPGLBK-JLHYYAGUSA-N	322.455	3.003	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCC2CC3(C2)OCCO3)c1O	927001929	QQYBRAMNQRSLMT-NSHDSACASA-N	311.809	3.158	10	20	DGCD	
CN1CCc2cc(/C=C3/N=C(c4cccc(F)c4)OC3=O)ccc21	751524678	XKHDLWSZWMEYTQ-MHWRWJLKSA-N	322.339	3.163	10	20	DGCD	
C[C@H](NCCN(C)CC(F)F)c1cc2c(cc1O)CCCC2	858596644	IAXSFORWPWMUSA-LBPRGKRZSA-N	312.404	3.119	10	20	DGCD	
CC(C)c1cc(CNCc2cc(F)c(N(C)C)cc2F)on1	858137097	FOVZLUMQHVOTFT-UHFFFAOYSA-N	309.360	3.432	10	20	DGCD	
CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cccc(O)c1O	762376032	QNSAEOZRCMUHAJ-UHFFFAOYSA-N	309.724	3.163	10	20	DGCD	
CCOc1ccc(CNc2nc3c(F)cccc3n2C)c(O)c1	766108481	ORDBPPWIZKLYOQ-UHFFFAOYSA-N	315.348	3.429	10	20	DGCD	
CCN1CCN(C(=O)/C=C\c2cnccc2C)c2ccccc21	1116537862	AHRCMULRTFGCPN-HJWRWDBZSA-N	307.397	3.276	10	20	DGCD	
Fc1cc(CN2CCCC3(CC3)C2)ccc1N1CCOCC1	770674769	MAYNUFBPVVPYIY-UHFFFAOYSA-N	304.409	3.038	10	20	DGCD	
C[C@@H](NCc1csc(-c2cnn(C)c2)n1)c1ccccc1O	877755996	XNMUKNUXYOQBIZ-LLVKDONJSA-N	314.414	3.100	10	20	DGCD	
CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1	774904087	BUNPRTZHYYVTBD-LBPRGKRZSA-N	308.378	3.321	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@H](C)O[C@@H](C(F)(F)F)C2)cc1	773753243	DWACBFAVOSYZIA-SWLSCSKDSA-N	316.367	3.294	10	20	DGCD	
CCOC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(N(C)C)cc1	774481209	HQWQFFDABNHYEO-PBHICJAKSA-N	306.450	3.381	10	20	DGCD	
C[C@@H]1CCCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	776126397	BXRFLACNCWDVRA-OAHLLOKOSA-N	315.461	3.401	10	20	DGCD	
COc1ccc(CNCCNC(=O)C2CCCCCC2)cc1C	1124650193	DPTICENHIGKPEW-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
C[C@@H]1CCCN(CCCCNCc2cc(F)cc(F)c2O)C1	882892049	LOMGWNCDFOTICL-CYBMUJFWSA-N	312.404	3.272	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@H](C)c2c(O)cccc2F)cc1	886596251	ABBIVEPGLHWQPX-UKRRQHHQSA-N	303.377	3.094	10	20	DGCD	
OCC[C@H](Cc1ccccc1)NCc1cccc(Cl)c1O	799738956	DHHPEECXYIXCEG-OAHLLOKOSA-N	305.805	3.129	10	20	DGCD	
C[C@@H](NCc1n[nH]cc1Br)c1ccc(N(C)C)cc1	718141169	KVNBSPSLJBSXNR-SNVBAGLBSA-N	323.238	3.089	10	20	DGCD	
COC(=O)CC(C)(C)N(C)Cc1cc(Cl)cc(Cl)c1O	1320508619	FOQWPOKLHDRGRP-UHFFFAOYSA-N	320.216	3.473	10	20	DGCD	
CN1CCN(c2ccc(-c3nc4cnccc4s3)cc2)CC1	1341644134	JQJVKEDDTKWSFP-UHFFFAOYSA-N	310.426	3.110	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](O)CSc1ncc(C(=O)O)s1	1609808340	XAKTZTBVDBRDEY-ONGXEEELSA-N	309.412	3.098	10	20	DGCD	
O=C(O)/C=C/c1ccc(CNCc2cccc(Cl)c2O)o1	1601878914	KPGIFVBCVSRUIC-VOTSOKGWSA-N	307.733	3.026	10	20	DGCD	
CCc1ccccc1NC(=S)NNc1ccccc1[N+](=O)[O-]	7351005	GNDKPKDEOWIUGW-UHFFFAOYSA-N	316.386	3.471	10	20	DGCD	
Cc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	127194667	BCCIOUOJVDQUNJ-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
Cc1nc(N2CCOCC2)ccc1N[C@@H](C)c1ccccc1O	183705442	QIOLUIANDCONHU-ZDUSSCGKSA-N	313.401	3.105	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2nnc(C)s2)cc1	76926035	IVIGHZOTFZGGML-UHFFFAOYSA-N	319.434	3.014	10	20	DGCD	
CN1CCc2cc([C@H]3NC(=O)c4c(Cl)cccc4N3)ccc21	130292929	XHMAUDZGNDRTLH-MRXNPFEDSA-N	313.788	3.186	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@@H](C)c2ccc(F)cc2O)cc1	191593572	DRFZDYJUZUYPES-BBRMVZONSA-N	303.377	3.094	10	20	DGCD	
COc1cc(C(C)=O)ccc1Sc1ncc([N+](=O)[O-])s1	192504948	SMMXCGVJJVQWFX-UHFFFAOYSA-N	310.356	3.414	10	20	DGCD	
CO[C@@](C)(CNCc1cc(Br)ccc1O)C1CC1	291088233	WQYVIFZOGPAUSR-AWEZNQCLSA-N	314.223	3.059	10	20	DGCD	
Cc1ccc(OCCC(=O)NCCc2ccc(N)cc2)c(C)c1	237704909	ISQYTJDPRGNDGV-UHFFFAOYSA-N	312.413	3.013	10	20	DGCD	
CN(Cc1ccccc1C(F)(F)F)C(=O)Cc1ccc(N)cc1	237147878	GSDNOCNGKIIQAB-UHFFFAOYSA-N	322.330	3.489	10	20	DGCD	
COCc1nc(C)cc(NCc2ccc(N3CCCC3)cc2)n1	266059578	YSHOBXMOETUXAD-UHFFFAOYSA-N	312.417	3.144	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCC(=O)[C@H]1C	279639207	JAZKCDQHRGWHDK-GOEBONIOSA-N	316.445	3.106	10	20	DGCD	
CC1(C)CN(C(=O)c2cccc(O)c2O)[C@@H]1c1cccs1	288477623	CDRXUSWFOKHQKL-CQSZACIVSA-N	303.383	3.383	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1c(C)noc1C	288994864	HRXWFRSTDCMQMD-UHFFFAOYSA-N	302.374	3.440	10	20	DGCD	
CC[C@@H](NCCCN1CCCO[C@@H](C)C1)c1ccc(F)cc1O	287534718	PCOKPDIZORSUQK-WMLDXEAASA-N	324.440	3.073	10	20	DGCD	
C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O	287384097	PRTKQCXCYRIAJT-MADCSZMMSA-N	304.268	3.292	10	20	DGCD	
CC1(C)CCC[C@@H]1CNCc1ccc(N2CCOCC2)cc1	389153258	VOAGJFGJLSFEHR-QGZVFWFLSA-N	302.462	3.439	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@@H](C)C[C@H]1C	801549371	LPNSAGIFRNINAG-JKIFEVAISA-N	305.418	3.334	10	20	DGCD	
C[C@@H](NC[C@]1(C)CCCNC1)c1cccc(C(F)(F)F)c1O	817966285	KJBIRPWRNJOWIG-IAQYHMDHSA-N	316.367	3.451	10	20	DGCD	
CC(C)[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCCO1	816674776	KKFSXZACHZVAKV-CQSZACIVSA-N	301.789	3.432	10	20	DGCD	
OC[C@H](CNCc1ccc2ccccc2c1O)c1ccccc1	816554857	LAOWWFUBTFULTG-SFHVURJKSA-N	307.393	3.411	10	20	DGCD	
C[C@@H](C1CC1)N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817917254	NRDSRPCSQPMVRH-NSHDSACASA-N	315.442	3.187	10	20	DGCD	
CC(C)c1cccc(N2C(=O)CN(Cc3ccccc3O)C2=O)c1	819009410	NNDJQTXOYUWKFW-UHFFFAOYSA-N	324.380	3.484	10	20	DGCD	
Cc1c(NNC(=S)Nc2ccccc2F)cccc1[N+](=O)[O-]	727981182	FGQQSMBSEGEMIP-UHFFFAOYSA-N	320.349	3.356	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2ccccc2C1	588406443	YBGACJDBCBZJKB-NTMALXAHSA-N	309.365	3.086	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN(CCO)C2CC2)cc1	823399458	DXOYMUOEAKZIAJ-UHFFFAOYSA-N	316.470	3.341	10	20	DGCD	
COc1cc(CN2CCC[C@@H](CO)[C@@H]2C)c(O)c(C(C)(C)C)c1	826123350	LHEQONBVCLSFCI-KBPBESRZSA-N	321.461	3.291	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc3c(c2)ncn3C)c1O	903202343	ALAMHIRRHQPODD-LBPRGKRZSA-N	311.385	3.138	10	20	DGCD	
O=C(O)C[C@@H](NCc1ccc2c(c1)CCCO2)c1cccs1	900031542	CTOWHLASWQLTKA-CQSZACIVSA-N	317.410	3.379	10	20	DGCD	
CC[C@H](NCc1nc(C(C)C)n[nH]1)c1ccc(N(C)C)cc1	834869743	FWPZKCMYPYGDCS-HNNXBMFYSA-N	301.438	3.235	10	20	DGCD	
O=C(COC(=O)c1cc(O)cs1)c1ccc(Cl)s1	732353016	KIKSANGBFAETKQ-UHFFFAOYSA-N	302.760	3.208	10	20	DGCD	
COc1ccc(CCNc2ccc(CNC(=O)O)cc2)cc1	832304367	KLFFVUMTLCHLRQ-UHFFFAOYSA-N	300.358	3.117	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2C)[C@H]1SC	838947007	BGGTYRQEZGOYFG-BRWVUGGUSA-N	308.491	3.060	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)NCCSC)c2C)cc1	743991333	YUWHQANKTSGRPF-UHFFFAOYSA-N	318.442	3.196	10	20	DGCD	
COc1cc(CNc2ncc(C)cn2)c(O)c(C(C)(C)C)c1	849346479	WVKWJKHYWDDABD-UHFFFAOYSA-N	301.390	3.409	10	20	DGCD	
Cc1cc(O)c(CN2C[C@@H](N)[C@H](c3ccccc3F)C2)cc1C	841103020	DAILMGHTEQEUMW-FUHWJXTLSA-N	314.404	3.075	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC2CC3(CCC3)C2)c1	845723130	APEFLLDEXPAKML-NSHDSACASA-N	304.390	3.094	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CCCS2)C2CC2)cc1	743302391	GDOOCSLIWOZAFY-MRXNPFEDSA-N	304.459	3.139	10	20	DGCD	
N[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1c1ccccc1F	841104497	SNATWWYEJIPXPQ-XJKSGUPXSA-N	320.795	3.111	10	20	DGCD	
CN(C)c1ccc(CN(CCN)c2ccc3ccccc3n2)cc1	840956765	DJTFWUFXDSJRHJ-UHFFFAOYSA-N	320.440	3.266	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCO[C@H](C(F)(F)F)C2)c1	845971210	INPTUUXQTJZMJO-BHDSKKPTSA-N	319.323	3.161	10	20	DGCD	
CCOc1cc(N[C@@H](C)c2cc(OC)ccc2O)nc(C)n1	853269180	MCDDOSBCNAHSJG-JTQLQIEISA-N	303.362	3.071	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1	852036476	YQPNXJPXZQZCCO-GJZGRUSLSA-N	318.383	3.180	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CNc2cccc(Cl)c2)cc1	753914812	CBNNFQDYVOUBOW-UHFFFAOYSA-N	317.820	3.134	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccccc2CO)c2c(O)ccc(F)c21	756459512	ORKDJHMXMWKENR-XHDPSFHLSA-N	301.361	3.362	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCN2C[C@H](C)O[C@H](C)C2)c(O)c1C	756365510	ASGZRZSYYAFZNM-HLLBOEOZSA-N	320.477	3.159	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(OC)CCCC2)cc1F	754223080	GFSQTQIDCNZACH-UHFFFAOYSA-N	322.424	3.247	10	20	DGCD	
C[C@@H](Cc1cnn(C)c1)NCc1ccc(N2CCCCC2)cc1	768402880	RUPPWDIRCWIBGB-INIZCTEOSA-N	312.461	3.131	10	20	DGCD	
CN(C)c1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1F	769480282	MJLPDWAWKQVXHX-UHFFFAOYSA-N	324.403	3.367	10	20	DGCD	
C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)CC(F)(F)F	868706600	YQUHIMYWYHLLOQ-VHSXEESVSA-N	304.312	3.341	10	20	DGCD	
CCOC(=O)CCN(Cc1cccc(Cl)c1O)CC1CC1	775663132	KEBWHLYTEQJDQB-UHFFFAOYSA-N	311.809	3.211	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2O)C[C@H](C)N1C(=O)OC(C)(C)C	779019318	SHOXWYMMJGRBBF-KBPBESRZSA-N	320.433	3.222	10	20	DGCD	
CC(=O)c1nc(NC(=O)N(C)Cc2ccccc2O)sc1C	879773594	LYWGOVCOCNSOJI-UHFFFAOYSA-N	319.386	3.024	10	20	DGCD	
Cc1ccc(NC(=S)NCc2ccc(OC(F)F)cn2)cc1	773196918	INRUTNPLVQGPBJ-UHFFFAOYSA-N	323.368	3.478	10	20	DGCD	
CC(C)CN1CCC[C@H](CNCc2cc(F)cc(F)c2O)C1	883073513	SAGIVFQELOCCJN-CYBMUJFWSA-N	312.404	3.128	10	20	DGCD	
CC(C)[C@H](CC(F)(F)F)NC(=O)/C=C/c1ccc(O)c(O)c1	783870597	XQWXXTOPBFNXNB-MALLOTDXSA-N	317.307	3.204	10	20	DGCD	
C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cc(F)cc(F)c1O	894019732	BNYDOHAGGHCWFK-NSHDSACASA-N	307.340	3.439	10	20	DGCD	
Cc1cncc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	794434383	NGXHMOBHTVXYPW-HNNXBMFYSA-N	311.429	3.266	10	20	DGCD	
CCC(C)(C)OCCNCc1ccc(Br)cc1O	691397424	YMUXKYPKKRDIDT-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
OCCCN(Cc1ccc(N2CCCC2)cc1)CC(F)(F)F	1319814693	IHJJIUUGMSVLHY-UHFFFAOYSA-N	316.367	3.034	10	20	DGCD	
C[C@@H](CC1CCCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1	1320880305	YUHWMMPMWXIIPC-LBPRGKRZSA-N	320.385	3.430	10	20	DGCD	
O[C@@H]1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(N2CCCC2)cc1	1327951722	JXWRJUZHIPHUPB-SLFFLAALSA-N	314.473	3.412	10	20	DGCD	
CCO[C@H](CC)c1nnc(N(C)Cc2ccccc2O)n1CC	1339570923	ZTRXMYRYFQTOQE-OAHLLOKOSA-N	318.421	3.128	10	20	DGCD	
CN(C)c1ccc(OC[C@H]2CCCC3(CCC3)O2)cc1C(=O)O	1606059093	XRCGJRPZKRGMED-CQSZACIVSA-N	319.401	3.321	10	20	DGCD	
CC(C)C[C@@H](C(=O)O)N(C)Cc1c(O)ccc(Cl)c1F	1609701751	IAHYQHHVLLDYDD-NSHDSACASA-N	303.761	3.116	10	20	DGCD	
CCN1CCc2cc(CNC[C@@H]3CCCC[C@@H]3C(=O)O)ccc21	1776877692	AIAMPISXDREVDA-IRXDYDNUSA-N	316.445	3.050	10	20	DGCD	
CCN1CCc2cc(CNCc3ccccc3C(=O)O)ccc21	1776877772	YCSXFABJZMSRLM-UHFFFAOYSA-N	310.397	3.057	10	20	DGCD	
Cc1cccc(S(=O)(=O)CCCSc2nccs2)c1	164885649	MLDAMOQEMGXJPQ-UHFFFAOYSA-N	313.469	3.408	10	20	DGCD	
COc1cccc(CNCc2ccccc2Br)c1O	48819584	JFOVJBKGDNMLJE-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)cc(F)c2)c1	173130837	VCFSOBAQCFHTHN-NSHDSACASA-N	303.333	3.339	10	20	DGCD	
CSCCCCC(=O)NCc1c(O)ccc2c1CCCC2	174521806	OSNUJCHCBGMPMI-UHFFFAOYSA-N	307.459	3.421	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1cc[nH]c1	175850386	KECXXBPYQVILLY-UHFFFAOYSA-N	323.190	3.145	10	20	DGCD	
Cc1nc(NCc2ccc(N3CC=CC3)cc2)ccc1[N+](=O)[O-]	301676263	SMPRBNMDOPMRJI-UHFFFAOYSA-N	310.357	3.287	10	20	DGCD	
CC(C)COC(=O)CN(Cc1ccco1)Cc1ccccc1O	181484729	NXOURRFCSDZGRG-UHFFFAOYSA-N	317.385	3.187	10	20	DGCD	
CC[C@H](NC[C@@H](O)COc1cccc(C)c1)c1ccccc1O	183316483	IHPWEAXZIGVBPR-QAPCUYQASA-N	315.413	3.181	10	20	DGCD	
C[C@H](NC[C@@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O	187731353	JWSPEMQYXZNBMM-GXTWGEPZSA-N	321.367	3.487	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@](C)(O)c2ccc(F)cc2)c1	186189608	VCUVUZQKDDLAOO-ACJLOTCBSA-N	303.377	3.398	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(-n3ccnc3)nc2)cc1F	121752930	OKMHFKNCYQKQIA-UHFFFAOYSA-N	312.348	3.051	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2ccn[nH]2)c1	180920066	ZHJZJDCAABSCBO-FNORWQNLSA-N	321.336	3.140	10	20	DGCD	
Oc1ccccc1CN1CCN(C/C=C\c2ccccc2)CC1	33656546	LGVQHNODQDQPFX-TWGQIWQCSA-N	308.425	3.223	10	20	DGCD	
CC(C)OCCCC(=O)NCc1ccc(N2CCCC2)cc1	184145976	IVIBBGVDKFGBBD-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
C[C@H](NC[C@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1	189311856	AAANIIBVOSMLOT-BXWFABGCSA-N	302.462	3.489	10	20	DGCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C1=CCCCCC1	129517445	WQZGSEQQTOZAGF-UHFFFAOYSA-N	314.429	3.030	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1ccsc1)c1ccc(F)c(F)c1O	187732147	PCCUHWDRGKKCFL-RFAUZJTJSA-N	313.369	3.290	10	20	DGCD	
CCn1c(NC(=O)/C=C/c2ccc(O)c(O)c2)nc2ccccc21	180903060	LOWJLFCTNCZEMT-CSKARUKUSA-N	323.352	3.119	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2ccc(C(=O)N(C)C)[nH]2)cc1	192037164	MONRBTTWBHQBAY-UHFFFAOYSA-N	315.417	3.140	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNc1ncn(-c2ccccc2)n1	195046694	XKGQDJRWKNKACX-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
Cc1ncc([C@H](C)NCc2ccc(N3CCOCC3)cc2)s1	90404240	XRVFMHRXSGNRLZ-ZDUSSCGKSA-N	317.458	3.139	10	20	DGCD	
C[C@H](CC[S@](C)=O)NCc1cc(-c2ccccc2)ccc1O	268408187	GMIGBLMRJGAGBC-PEBXRYMYSA-N	317.454	3.306	10	20	DGCD	
COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1ccc(N)cc1	269232854	PYZXUJPBLKYQNZ-GOSISDBHSA-N	310.397	3.014	10	20	DGCD	
O=C1CCCCN1[C@H]1CCCN(Cc2cccc(Cl)c2O)C1	364069015	FMEKBIJBXFZNBA-AWEZNQCLSA-N	322.836	3.023	10	20	DGCD	
C[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1O	276901120	JBMBRIBERQDIAX-LKFCYVNXSA-N	311.303	3.194	10	20	DGCD	
COC1([C@@H](C)NCc2c(C)c3ccccc3n2C)CCOCC1	453208621	CLDMGVBEUYAXAN-OAHLLOKOSA-N	316.445	3.160	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)CC(C)(C)OC)c1	273465322	DQNJCAONSXECKN-NEPJUHHUSA-N	309.406	3.033	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC1(Cl)Cl	291071162	XEXGMYPBLCQDJY-ZDUSSCGKSA-N	315.244	3.295	10	20	DGCD	
CN(C)c1ccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)cc1	298707822	JKHXJJDTQOJTBA-UHFFFAOYSA-N	323.440	3.016	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)o1	298429566	XLLMXTYBCYVBLS-UHFFFAOYSA-N	304.777	3.463	10	20	DGCD	
CO[C@@H](CNC(=O)c1sccc1-n1c(C)ccc1C)C1CC1	818540646	XLKPDDMJFRIBQV-HNNXBMFYSA-N	318.442	3.310	10	20	DGCD	
CCCNCCN[C@H](CC)c1ccc(C(F)(F)F)cc1O	817963560	UZSYFBVBBNENAM-CYBMUJFWSA-N	304.356	3.451	10	20	DGCD	
CC(C)(C)OC(=O)NCCNCc1ccc2ccccc2c1O	816562373	IYJLCSHFFAEVCP-UHFFFAOYSA-N	316.401	3.160	10	20	DGCD	
CCN(Cc1nn(C)cc1Br)c1ccc(OC)cc1	814624777	AGKWXUSIPGAXKY-UHFFFAOYSA-N	324.222	3.218	10	20	DGCD	
C[C@H]1CN(c2cccc(F)c2)CCN1Cc1cc(F)ccc1O	814178065	ANMMWXKADZESPJ-ZDUSSCGKSA-N	318.367	3.381	10	20	DGCD	
CC[C@](C)(NCc1ccc(N2CCCCC2)c(C)c1)C(=O)OC	828583478	XXOXDNKSAPVCIL-IBGZPJMESA-N	318.461	3.417	10	20	DGCD	
Cc1cccc2c1CCCN2C(=O)c1cccc2c1CCNC2	662604037	ZPMBQQCTPBMIGG-UHFFFAOYSA-N	306.409	3.234	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c(O)c1	724912002	GWYOWXFCOZZJSA-KBPBESRZSA-N	320.433	3.361	10	20	DGCD	
COc1cccc(CNC(=O)c2sccc2C2CC2)c1O	729858943	HOIIENVYWZAODG-UHFFFAOYSA-N	303.383	3.270	10	20	DGCD	
Cc1cc(Br)cc(CN(C(C)C)C2COC2)c1O	824471559	FEWHRSYJNRFZOY-UHFFFAOYSA-N	314.223	3.072	10	20	DGCD	
CCN(CC)c1ccc(CNC2CCC(NC(C)=O)CC2)cc1	731450127	DQSBRCSENYQVOK-UHFFFAOYSA-N	317.477	3.070	10	20	DGCD	
C[C@H]1C[C@@H](C)[C@H](C(=O)O)[C@@H](C)N1Cc1ccc(N(C)C)cc1	903951315	TXJKDFFJSZOXSW-OEUWWYETSA-N	304.434	3.072	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCN1CCc3ccccc3C1)CC2	834496410	HMSLHTDFYAVWPU-SFHVURJKSA-N	308.425	3.027	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCO[C@H](c3nccn3C)C2)c(O)c1	834910962	HADDUTGDVOWPSY-VBQJREDUSA-N	315.417	3.005	10	20	DGCD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	838767096	WIJBOUGZTHBDQO-SJLPKXTDSA-N	303.450	3.329	10	20	DGCD	
COc1cc(O)ccc1NS(=O)(=O)c1ccc(C(C)C)cc1	901704273	OIFUNLUZEGJTNE-UHFFFAOYSA-N	321.398	3.325	10	20	DGCD	
CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(F)F	833204132	FETRCZFNBZMWIN-ZDUSSCGKSA-N	307.344	3.263	10	20	DGCD	
Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)ccn1	834860946	VYYFDTKWRUIDME-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
C[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(Cl)cc1O	841756719	ZQJRATKHCXBNKR-LBPRGKRZSA-N	324.852	3.487	10	20	DGCD	
CN(CC[C@@H]1CCOC1=O)c1ccc(-c2nccs2)cc1	846991559	FTNQAUOTJHHHNZ-CYBMUJFWSA-N	302.399	3.200	10	20	DGCD	
Cc1cc(O)c(CN2CCNC[C@H]2c2cccc(F)c2)cc1C	843120029	ZSSMEIMUOLQBNA-SFHVURJKSA-N	314.404	3.295	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2ccccc2C)cc1	844851785	GPHMXMLODXTXIG-UHFFFAOYSA-N	312.413	3.212	10	20	DGCD	
Cc1ncc(CN2CCCc3cc(OC(F)F)ccc32)cn1	919804943	VQELHFDNOJHXRB-UHFFFAOYSA-N	305.328	3.339	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NC1CCC(F)(F)CC1	845084287	YSOXXNDYEVWILZ-UHFFFAOYSA-N	318.751	3.423	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC(=O)C1	843758376	PRKUNQBJBWGRTD-MRXNPFEDSA-N	314.429	3.005	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c1O	846151699	DWNKRUIXENPILP-YGRLFVJLSA-N	323.339	3.063	10	20	DGCD	
COc1cc(CN2CCC[C@H]2[C@H]2CCCOC2)c(O)cc1C	842613589	CXLUGZLLEHOIGS-HOCLYGCPSA-N	305.418	3.100	10	20	DGCD	
COc1cc(C)nc(CN(C)c2ccc(OC)cc2OC)c1	757098653	BUHXZWQKQGDMBD-UHFFFAOYSA-N	302.374	3.052	10	20	DGCD	
CCN1CCC(NCc2cc(OC)cc(C(C)(C)C)c2O)CC1	850010219	FRKNUOPDZPMMPG-UHFFFAOYSA-N	320.477	3.272	10	20	DGCD	
c1cc2c(cc1CN[C@H]1CCO[C@]3(CCSC3)C1)CCCO2	921862090	MLKFQJUHSDDFBM-FUHWJXTLSA-N	319.470	3.156	10	20	DGCD	
COC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(C)o1	921809442	MOKVUDPHAJUJAW-MRXNPFEDSA-N	301.386	3.390	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)C2(C)CCCCC2)cc1	756384441	PJRMDKASJFTCBJ-INIZCTEOSA-N	304.434	3.266	10	20	DGCD	
CC(C)N(CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(C)C	756626745	CDZKDXPXGGRAPD-AWEZNQCLSA-N	323.437	3.460	10	20	DGCD	
Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)ccc1N	853249757	IFUCCKJJCSSHHN-UHFFFAOYSA-N	315.392	3.165	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2Cc3ccccc32)c1	756535848	RUDPWPCKIPNHIK-WFASDCNBSA-N	311.381	3.169	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c1	766089353	QIYJDPUXVMTXMM-SJORKVTESA-N	307.434	3.473	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2nn(C)c3ccccc23)c1	760899492	YTCFPJAJWINGSS-LBPRGKRZSA-N	311.385	3.138	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C(=O)O)[C@H](C)C2)cc1F	863739238	JMFIKRRARSGYCG-UKRRQHHQSA-N	322.424	3.215	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCc3cccc(F)c32)cc1	768500664	VAAKFINTXSCJQT-UHFFFAOYSA-N	313.376	3.164	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)C[C@H]1COc2ccccc2O1	768182207	WTXBTSRMXLORMC-AWEZNQCLSA-N	319.788	3.317	10	20	DGCD	
CCOc1ccc(CNc2ccc(C(=O)OC)cc2)c(O)c1	762643263	CZWDCGKYMMQLIT-UHFFFAOYSA-N	301.342	3.190	10	20	DGCD	
COC(C)(C)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	866503578	URNTULLEGPDGNE-CQSZACIVSA-N	324.440	3.128	10	20	DGCD	
COc1ccccc1[C@@H]1CCN(Cc2c(O)cccc2OC)C1	769472667	HVXDVQMGZHQLCY-CQSZACIVSA-N	313.397	3.399	10	20	DGCD	
CCOc1cccc(F)c1CNCc1ccc(OC)cc1O	877493669	OJKVGYZUFGIKPL-UHFFFAOYSA-N	305.349	3.228	10	20	DGCD	
CC[C@@H](NCCNC(=O)c1ccc(F)cc1)c1ccccc1O	775489487	QKGCIRSUXAWNBC-MRXNPFEDSA-N	316.376	3.002	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1F	1116843019	QGVRBPFQCHGSMO-SFHVURJKSA-N	306.425	3.019	10	20	DGCD	
CC[C@H]1C[C@H](C)CN1Cc1ccc(N2CCN(C)CC2)cc1	775708879	PIJJXCCBOLAPTF-WMZOPIPTSA-N	301.478	3.059	10	20	DGCD	
CCC[C@](C)(O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	770754596	RVCQPPZLALYFPC-SFHVURJKSA-N	306.450	3.042	10	20	DGCD	
COCCOc1ccccc1CNCc1c(C)cccc1O	876958973	MQSRMWIYGBLPOT-UHFFFAOYSA-N	301.386	3.016	10	20	DGCD	
CCC[C@@]1(C(=O)OCC)CCCN1Cc1cc(F)ccc1O	775185796	WKJURRGHRZSJGB-KRWDZBQOSA-N	309.381	3.229	10	20	DGCD	
CC[C@H](NCCOC[C@@H]1CCOC1)c1cc(Cl)ccc1O	775504476	YJXOQAUKSBBOSM-DOMZBBRYSA-N	313.825	3.139	10	20	DGCD	
CN(CCCCc1ccccc1)C(=O)NCc1ccc(N)cc1	1120592234	SVKYCMXFKGQXCY-UHFFFAOYSA-N	311.429	3.433	10	20	DGCD	
C[C@H](CC[S@@](C)=O)N[C@H](C)c1cccc(C(F)(F)F)c1O	788669813	PNFWOCYEXBHTPZ-FDXSBTRWSA-N	323.380	3.219	10	20	DGCD	
Cc1ccc(C(=O)NC[C@@H](C)c2ccc(F)cc2)c(O)c1O	780907681	VPOXAMZLOKGWEQ-LLVKDONJSA-N	303.333	3.079	10	20	DGCD	
COCC1(CNCc2c(O)cccc2Br)CCC1	706884858	JUGVNPNQEYQFTP-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
COCCN(Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CC[C@@H](C)C1	792465206	LXSICOGRLVIKLE-MLGOLLRUSA-N	323.408	3.371	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c(O)c1	792962088	XEHJRXSFZAEIQM-HZPDHXFCSA-N	318.417	3.169	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3ccccc3nc2C)c(O)c1	794376056	BBQVDVLNYDTKCE-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
CC[C@@]1(CO)CCCN(Cc2ccc(N3CCCC3)cc2)C1	1343089211	KBLJKGQAVWXSGJ-LJQANCHMSA-N	302.462	3.271	10	20	DGCD	
O=C(O)CN(Cc1c(O)ccc(Cl)c1F)C1CCCC1	1602057423	AVQXTBHWYPUNAU-UHFFFAOYSA-N	301.745	3.014	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](C(=O)O)C(C)(C)CC)ccc21	1776876555	CZDOXZFVBXBJBG-INIZCTEOSA-N	304.434	3.048	10	20	DGCD	
CN(Cc1ccc2cccnc2c1)c1ccc(OCC(=O)O)cc1	1777072589	UAKSHXJNCOTZJW-UHFFFAOYSA-N	322.364	3.335	10	20	DGCD	
C[C@H](NCCN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	158639640	ZXPPDAPAQVGSGQ-AWEZNQCLSA-N	321.465	3.270	10	20	DGCD	
C[C@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O	903238936	BSPGPFCMNIKTHI-LBPRGKRZSA-N	306.406	3.100	10	20	DGCD	
Oc1ccccc1CN(C[C@H]1CCCO1)c1ncncc1Cl	302643594	LUTNRJHONUPFND-CYBMUJFWSA-N	319.792	3.021	10	20	DGCD	
C[C@@H](NCCC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	128673498	VEODAPRERQCGRL-OAHLLOKOSA-N	317.477	3.242	10	20	DGCD	
C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1ccc(N2CCOCC2)cc1	187868893	CPGIAKYEWBANMJ-QAPCUYQASA-N	318.461	3.131	10	20	DGCD	
Cc1cccc(CN2CCC(C(=O)C(F)(F)F)CC2)c1O	187660976	AAANAWZMNNVQKG-UHFFFAOYSA-N	301.308	3.044	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2cccc(F)c2F)cc1	183789897	JPUXGLSKGPWZCU-UHFFFAOYSA-N	321.323	3.153	10	20	DGCD	
O=C1CC[C@@H]2CN(C(=O)/C=C/c3cncc(F)c3)c3cccc1c32	184365842	XAVUPNLKJOZRNV-WXJAXGNASA-N	322.339	3.341	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Cl)o1	75159635	IGNVMPFJRCAZCY-UHFFFAOYSA-N	305.761	3.447	10	20	DGCD	
CCOC1(CNCc2cc(Cl)cc(OC)c2O)CCCC1	315175660	JDTHUPZSFFHFIK-UHFFFAOYSA-N	313.825	3.493	10	20	DGCD	
CNC(=O)C[C@H](C)NCc1ccc(N(C)C2CCCCC2)cc1	269018113	PEMSFBVSUFXBRD-HNNXBMFYSA-N	317.477	3.070	10	20	DGCD	
C[C@@H](Cn1ccnc1)N[C@@H](C)c1ccc(Br)cc1O	273301163	BNHIOTSIZWRLKU-QWRGUYRKSA-N	324.222	3.091	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC([C@H](O)c2ccccc2)CC1	272329491	WBOSAAUJRTUZBF-LJQANCHMSA-N	315.388	3.477	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1C	273467230	FAZRCQDNZUEZJI-HRCADAONSA-N	318.461	3.307	10	20	DGCD	
CC[C@H](NCCCO[C@H]1CCOC1)c1cccc(Cl)c1O	287677340	MLKVMVIBZGABNX-WFASDCNBSA-N	313.825	3.282	10	20	DGCD	
CC[C@@H](NC[C@@]1(N(C)C)CCSC1)c1ccc(C)cc1O	280073924	LDXBCKSDMBKQJT-WBVHZDCISA-N	308.491	3.179	10	20	DGCD	
CC[C@H](NCCCN1CCCO[C@H](C)C1)c1ccc(F)cc1O	287534714	PCOKPDIZORSUQK-PBHICJAKSA-N	324.440	3.073	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCSC1	288115459	XUIPEUUVDLRLKG-CQSZACIVSA-N	322.474	3.457	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCOCC(F)(F)C1	809787819	KDJRWNNBHISPCD-UHFFFAOYSA-N	312.143	3.167	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](O)C1CCCCC1	801548517	WATLXMKPWXFGQT-GOSISDBHSA-N	319.445	3.462	10	20	DGCD	
CC[C@@H](C)NC(=O)CCN[C@@H](C)c1cc(Cl)cc(C)c1O	808682492	RVYZWQWAJPTMNH-NEPJUHHUSA-N	312.841	3.309	10	20	DGCD	
Cc1cc(=O)oc2cc(N(C)C(=O)/C=C/c3cccnc3)ccc12	805349857	GDVAOIYGVMYOQM-VMPITWQZSA-N	320.348	3.173	10	20	DGCD	
C[C@@H]1CCCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817903541	FFVDKRXUQUPBQZ-GFCCVEGCSA-N	315.442	3.331	10	20	DGCD	
CCOCC(C)(C)NCc1cc(Br)cc(C)c1O	816639359	PJOIUADHFHYDTE-UHFFFAOYSA-N	316.239	3.368	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3cnc(C)s3)C2)cc1	818222587	YWWBUWBTCOISHT-AWEZNQCLSA-N	317.458	3.076	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@@H](C)C3)C2)cc1	819585849	IPMFNZRLGCMWQN-BZUAXINKSA-N	316.445	3.074	10	20	DGCD	
CC[C@@H](N[C@@H](C)C1(OC)CCOCC1)c1ccc(C)cc1O	817587287	DKVOSHCBOAAZSB-GOEBONIOSA-N	307.434	3.325	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3ncc(C)c(C)n3)C2)cc1	819935206	LGRXZWPVOANZPB-OAHLLOKOSA-N	312.417	3.040	10	20	DGCD	
C[C@H](NCc1cc(Br)ccc1O)c1ccnc(O)c1	815148065	KSZIBEMIWFJLEF-VIFPVBQESA-N	323.190	3.106	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1	728792378	KRIUSBBPXJKZGX-OXJKWZBOSA-N	320.458	3.115	10	20	DGCD	
CCS(=O)(=O)Cc1ccc(NCc2cccc(C)c2O)cc1	825316786	UBYWMCRXKYGUSE-UHFFFAOYSA-N	319.426	3.247	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3cccnc23)c1	729535460	RDZNKBCHVXAMRH-GFCCVEGCSA-N	322.364	3.440	10	20	DGCD	
Cn1cc(/C=C\C(=O)N(CC(F)(F)F)c2ccccc2)cn1	735439414	VAVBSASLCHDVLK-FPLPWBNLSA-N	309.291	3.029	10	20	DGCD	
CCC(CC)[C@@H](CNCc1ccc(N(C)C)c(F)c1)N(C)C	733324144	JSOVTAPMSMXOON-GOSISDBHSA-N	309.473	3.348	10	20	DGCD	
COc1ccc(O)c(CNC(=S)Nc2cccc(C)c2)c1	733907101	SRQSYWWFXLCVDB-UHFFFAOYSA-N	302.399	3.196	10	20	DGCD	
CN(C)C1(CN[C@H]2CCc3cccc(O)c32)Cc2ccccc2C1	834602080	ISLDIVLSSROHDG-SFHVURJKSA-N	322.452	3.068	10	20	DGCD	
CSc1cncc(NCc2ccc(N3CCOCC3)cc2)c1	905415314	YNCDXRORMCYIJP-UHFFFAOYSA-N	315.442	3.252	10	20	DGCD	
C[C@]1(C(=O)O)CCN(Cc2cc(-c3ccccc3)ccc2O)C1	833553397	CVULVPZDFIZPSF-IBGZPJMESA-N	311.381	3.356	10	20	DGCD	
COc1cccc([C@H](C)NCc2cn3ccc(C)cc3n2)c1O	846145694	OFYRHGBYAAPNLT-ZDUSSCGKSA-N	311.385	3.208	10	20	DGCD	
COc1cccc([C@@H](C)NCC2(N(C)C)CCCCC2)c1O	846136853	KOXDWRXXDWVITE-CQSZACIVSA-N	306.450	3.316	10	20	DGCD	
Cc1occc1CN(Cc1ccccc1O)C[C@H]1CCCO1	840907230	AXAZAINTIAUHEN-QGZVFWFLSA-N	301.386	3.475	10	20	DGCD	
COc1ccc2c(c1)CCCN2CCc1ccccc1C(=O)O	846234988	OOWKSFQJVGAJRE-UHFFFAOYSA-N	311.381	3.389	10	20	DGCD	
Oc1ccc(Cl)cc1CN1C[C@H](O)C[C@H]1c1ccccc1	840956149	HJOQFQOCQJZHDN-CVEARBPZSA-N	303.789	3.354	10	20	DGCD	
Cc1ccoc1CNCc1ccc(N2CCSCC2)cc1	742367441	UQWFBRBZPPRWBS-UHFFFAOYSA-N	302.443	3.431	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(Cl)cc1O	850501351	AJUGCRBCDVZJAI-SPQIJUHKSA-N	315.866	3.386	10	20	DGCD	
C[C@H](CCC(=O)O)CNCc1cc(Cl)cc(Cl)c1O	756307756	CJSLBPFQQJCHGV-MRVPVSSYSA-N	306.189	3.290	10	20	DGCD	
CC1(C)CN(C(=O)Cc2ccc(N)cc2)[C@H]1c1cccs1	852872350	DZEWENJVYOOSMD-INIZCTEOSA-N	300.427	3.483	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H]2c2cn(C)nc2C)c1O	754739756	OBYUSXPSDKLDCI-MRXNPFEDSA-N	315.417	3.088	10	20	DGCD	
N[C@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2	857226192	HEZVXNRECLIZAQ-YGRLFVJLSA-N	301.217	3.012	10	20	DGCD	
CC[C@@H](C)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	858090463	HENHIKGAZKNXMI-CYBMUJFWSA-N	312.413	3.364	10	20	DGCD	
Cn1c(C(=O)NCc2ccccc2O)c(Cl)c2ccccc21	769366169	UOJMSMGPFUANDN-UHFFFAOYSA-N	314.772	3.467	10	20	DGCD	
CCCOc1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1C	873131264	QSIPGTGXSLEOBS-SJORKVTESA-N	316.445	3.027	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CC[C@H](CN2CCCC2)C1	775714436	PGFQVEHPRBKJFQ-GFCCVEGCSA-N	312.816	3.102	10	20	DGCD	
O=C1N[C@@H](c2cccc(Cl)c2O)Nc2cc(F)c(F)cc21	877859369	RJWZWEGLMOSTQN-ZDUSSCGKSA-N	310.687	3.178	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)[C@H]2CCCOC2)ccc1OC	779989115	UQCQPEDCONFWBE-HOCLYGCPSA-N	307.434	3.136	10	20	DGCD	
O=C(NCCCSc1nccs1)N1CCC[C@H](CF)C1	883517218	RFHNIPNHFOHILK-LLVKDONJSA-N	317.455	3.016	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@H](C[C@@H]2CCOC2)C1	894779605	JOMOWKGADABWTD-OLZOCXBDSA-N	311.372	3.309	10	20	DGCD	
Cc1cc(Br)c(O)c(CN2CC(C(F)(F)F)C2)c1	894892199	ZHFDVQGUNKMOIY-UHFFFAOYSA-N	324.140	3.457	10	20	DGCD	
COC(=O)c1ncc(NCc2cc(C)c(C)cc2O)cc1Cl	795807322	BIPUVBNQVFQVCM-UHFFFAOYSA-N	320.776	3.456	10	20	DGCD	
CC(C)c1n[nH]c(CN2CCCc3cc(OC(F)F)ccc32)n1	794404861	PNRQRKZNKDGEQB-UHFFFAOYSA-N	322.359	3.482	10	20	DGCD	
C[C@@H](NCCCCCO)c1cc(Br)c(F)cc1O	790496621	WYCDNGHHAHGELM-SECBINFHSA-N	320.202	3.107	10	20	DGCD	
CC(C)(O)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1330638598	MRXCYNGAQWNVAY-UHFFFAOYSA-N	302.462	3.270	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cnn(C2CCCCC2)c1	1333689229	MONZJOSFNIMVJL-UHFFFAOYSA-N	313.401	3.366	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CCCC2(CCCC2)C1	1519512429	XVRUAQYCUMCKQC-UHFFFAOYSA-N	318.446	3.410	10	20	DGCD	
Cc1ccc(/C=C/C(=O)N(CCC(=O)O)c2ccccc2C)cn1	1607768014	FMCUIVJYJZBMOO-MDZDMXLPSA-N	324.380	3.220	10	20	DGCD	
NC[C@]12CCCC[C@H]1CN(Cc1c(O)ccc(Cl)c1F)C2	1580256858	YNHAUXUQZFHCCC-ZBEGNZNMSA-N	312.816	3.136	10	20	DGCD	
CC[C@](NCc1cccc(F)c1O)(C(=O)O)c1ccccc1	1595300201	OJRGVSDBLXOISB-QGZVFWFLSA-N	303.333	3.011	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@H]1CCN(CC(F)(F)F)C1	158108285	RCJRRUSWKLLTSG-SNVBAGLBSA-N	322.758	3.019	10	20	DGCD	
Oc1cccc(Br)c1CNC1Cc2ccccc2C1	706808341	JTOZTQNBPZYDFB-UHFFFAOYSA-N	318.214	3.412	10	20	DGCD	
COc1cccc(O)c1CNc1cnn(Cc2ccccc2)c1	777463281	NJFUAGMRQQSGEI-UHFFFAOYSA-N	309.369	3.258	10	20	DGCD	
CCS[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C	104900727	GLJMYYILDODKHN-ABAIWWIYSA-N	311.447	3.356	10	20	DGCD	
C[C@H](N[C@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1	112536849	XCHZQODFEIIBPO-JKSUJKDBSA-N	311.429	3.330	10	20	DGCD	
C[C@@H](c1ccccc1)N(CC(=O)NC1CC1)Cc1ccccc1O	176674183	YUCDNHNCEPAZDV-HNNXBMFYSA-N	324.424	3.234	10	20	DGCD	
C[C@@H](c1cccnc1)N(C)Cc1ccc(N2CCOCC2)cc1	179196236	NFTBQXSZZOLUBB-INIZCTEOSA-N	311.429	3.111	10	20	DGCD	
CN(C)c1ccc(CNc2cc(N3CCCCC3)ncn2)cc1	110117550	ZVAKZMPNRLHOEJ-UHFFFAOYSA-N	311.433	3.145	10	20	DGCD	
COc1cc(N(C)Cc2cccnc2Cl)cc(OC)c1OC	172896203	JHQGZOQXUAIUHC-UHFFFAOYSA-N	322.792	3.397	10	20	DGCD	
Nc1ccc(CNC(=O)NC[C@@H](c2ccccc2)C2CC2)cc1	1262582986	LAKHWYCLPGQWLR-SFHVURJKSA-N	309.413	3.262	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(Cn3cncn3)cc2)c(O)c1	184954213	LYASQQKJKZCUMW-HNNXBMFYSA-N	322.412	3.191	10	20	DGCD	
Cc1cccc2ncnc(N[C@@H](C)Cc3ccc(O)c(O)c3)c12	184147025	LAEBZYQZTDZFLT-LBPRGKRZSA-N	309.369	3.393	10	20	DGCD	
C[C@H](NCC[S@](=O)C(C)(C)C)c1cc2c(cc1O)CCCC2	185475506	HJKDITBZTMCCCR-XMHCIUCPSA-N	323.502	3.469	10	20	DGCD	
COc1cc(Cl)cc(CN(C)CCc2ccncc2)c1O	184745090	AGCPXCSBMXHBOV-UHFFFAOYSA-N	306.793	3.124	10	20	DGCD	
COc1ccc(N2CCCN(Cc3nc(C)cs3)CC2)cc1	88579226	MVIXNSPQVWOWKT-UHFFFAOYSA-N	317.458	3.172	10	20	DGCD	
Nc1ccc(CC(=O)Nc2cccc(CN3CCCCC3)c2)cc1	237925159	ZUEWBOLCBQPEGX-UHFFFAOYSA-N	323.440	3.436	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)CCC2	96733736	DXDNHOOTJRQTSQ-UHFFFAOYSA-N	322.408	3.264	10	20	DGCD	
COCCN(Cc1cc(Cl)cc(Cl)c1O)CC(F)F	92966127	HSMPQLCIFHESSU-UHFFFAOYSA-N	314.159	3.413	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCOC2)c(C)n1-c1ccccc1	266150074	IVTBUDVQCAJTHV-GOEBONIOSA-N	312.413	3.249	10	20	DGCD	
Cc1c(CNC(=O)[C@@]2(C)CCCCO2)n(C)c2ccccc12	457764939	MOBWNGMUHPCWJL-GOSISDBHSA-N	300.402	3.062	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2nnc(C)n2C)c1C	273259627	ZCZIMQWSSRFNDW-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
COCC[C@H](NCc1cc(OC)ccc1O)c1ccc(C)o1	272551596	DBMWKPRJRXDBJJ-HNNXBMFYSA-N	305.374	3.170	10	20	DGCD	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1O	276636166	WZQMPKNMNKRXNC-DGCLKSJQSA-N	315.344	3.255	10	20	DGCD	
C[C@@H]1CN(C)CC[C@@H]1N(C)Cc1ccc(N2CCCCC2)cc1	275215589	BTQBJKINLQTVMY-XLIONFOSSA-N	315.505	3.449	10	20	DGCD	
CC[C@H](N[C@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1O	367567672	UZJORKSKAPNKGF-FZMZJTMJSA-N	305.809	3.367	10	20	DGCD	
C[C@@]1(NCc2ccc(OCc3ccccc3)cc2O)CCOC1	273192003	PZVMHDBCASFGKW-LJQANCHMSA-N	313.397	3.240	10	20	DGCD	
CCC[C@@](C)(NCc1ccc(OC)c(COCC)c1)C(=O)OC	273914546	YIASKIVEOOXOPX-GOSISDBHSA-N	323.433	3.053	10	20	DGCD	
CC[C@@H](NCCCC(=O)N(CC)CC)c1ccc(C)cc1O	280263832	XJMCGUUWLTUUHS-MRXNPFEDSA-N	306.450	3.390	10	20	DGCD	
C[C@H](N[C@@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1	283376160	OJHGVBVBWSVBLX-BLLLJJGKSA-N	324.465	3.207	10	20	DGCD	
C[C@H](NC[C@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O	815578310	LWGFLJHDTZDPHS-NWDGAFQWSA-N	316.367	3.403	10	20	DGCD	
Cc1ccc(F)c(NC(=S)NCc2ncccc2N(C)C)c1	811709643	FAEKXXCQEPHKAK-UHFFFAOYSA-N	318.421	3.082	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3cc(F)c[nH]3)cc2)CC1	815523851	YTCXYTDUVOBQFM-UHFFFAOYSA-N	315.392	3.320	10	20	DGCD	
COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(N)cc2)c1	818556265	GIYYMMMGHYNMJQ-GOEBONIOSA-N	312.369	3.028	10	20	DGCD	
CCC(C)(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	817903462	CWNIRNKSMLBBCO-UHFFFAOYSA-N	303.431	3.235	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc(F)c2F)cc1F	726505100	OYOCAWBQVYJWDC-UHFFFAOYSA-N	308.303	3.100	10	20	DGCD	
CC[C@@H](COC)NCc1ccc(OCc2ccccc2)cc1O	825297532	HPTDVZNBVSBMDN-KRWDZBQOSA-N	315.413	3.486	10	20	DGCD	
CC/C(C)=C\C(=O)N1CCCN(c2ccc(OC)cc2)CC1	822656072	KBQLSENOYVDQLD-PFONDFGASA-N	302.418	3.090	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CC(CC(F)F)C2)c1O	822521269	ZTUPKPPHHZJTJS-UHFFFAOYSA-N	306.696	3.041	10	20	DGCD	
O=C(NCCCSc1nccs1)N(O)Cc1ccccc1	904175520	UOHLSZIDCQMMAA-UHFFFAOYSA-N	323.443	3.226	10	20	DGCD	
CN(C)c1ccc(CN(Cc2cc(C(=O)O)co2)C2CC2)cc1	737379691	YGZXYKKDKDTIRT-UHFFFAOYSA-N	314.385	3.208	10	20	DGCD	
CCC[C@@H]1CCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	837831619	HBPPCLHANMBNBA-YPMHNXCESA-N	306.358	3.040	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ns1	839922806	ZFCCXERZNHOUCQ-LBPRGKRZSA-N	317.458	3.187	10	20	DGCD	
COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)CC2CC2)cc1	831582751	FTLNLIYUFPYGEF-AWEZNQCLSA-N	304.434	3.072	10	20	DGCD	
CCC[C@H](CCCCNCc1cc(F)cc(F)c1O)C(=O)O	904018468	QSCUBOYUEHCOJN-LLVKDONJSA-N	315.360	3.431	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)c2ncc[nH]2)cc1	846243438	BPKFNDBAOMSYJX-UHFFFAOYSA-N	322.412	3.482	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	746718433	GTLQCNLCAAKVSK-DOMZBBRYSA-N	307.413	3.270	10	20	DGCD	
Oc1ccccc1CNc1cc(-c2ccccc2)nc2ncnn12	748307925	PIZJYAHGZQWKKP-UHFFFAOYSA-N	317.352	3.109	10	20	DGCD	
CCc1cccc(CNC2CCN(CC(F)(F)F)CC2)c1O	848896084	ZVDNNCSUUJVVRZ-UHFFFAOYSA-N	316.367	3.071	10	20	DGCD	
COCC[C@@H](C)CN[C@@H](C)c1ccc(Br)cc1O	840835874	RLZHMQMKMYXJRG-MNOVXSKESA-N	316.239	3.478	10	20	DGCD	
CNCCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	843488159	RXYOSYUMPBOENO-OAHLLOKOSA-N	312.413	3.092	10	20	DGCD	
COc1ccc(N(C)C[C@H]2COc3ccccc3O2)cc1F	758143369	UZGFKNBNGWQGLG-ZDUSSCGKSA-N	303.333	3.111	10	20	DGCD	
COc1cc(O)c(CNC[C@@H](SC)C(C)(C)C)cc1OC	753571234	TXFFONKIQGTPEY-OAHLLOKOSA-N	313.463	3.277	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCO[C@@H]2CCCC[C@H]2C)c1	858153243	JRUNLSSIPHLQGL-RHSMWYFYSA-N	320.433	3.095	10	20	DGCD	
CC(C)CCOC(=O)NCc1cccc(Br)c1O	859133671	DXKTVQOSRWMLKO-UHFFFAOYSA-N	316.195	3.427	10	20	DGCD	
C[C@H](NC1CCN(CC(F)F)CC1)c1cc(Cl)ccc1O	756501157	BPCHGJVBONSLCQ-JTQLQIEISA-N	318.795	3.426	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2cncc(F)c2)c1	757640831	VBANEELDYAXJOW-WDEREUQCSA-N	318.348	3.125	10	20	DGCD	
Cc1ncc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)s1	866454460	CQLUGAMZZWRUOP-IUCAKERBSA-N	307.375	3.477	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F	862384249	SLNUBBDOWQUKMZ-QBIMZIAESA-N	324.415	3.156	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1	765765019	BWDSYVXHLVHPFM-ZBFHGGJFSA-N	305.441	3.171	10	20	DGCD	
CC(C)OC(=O)[C@@H](C)N(C)Cc1cc2c(cc1O)CCCC2	768464246	PIWGHTOFFFZRBR-CYBMUJFWSA-N	305.418	3.043	10	20	DGCD	
Cc1ccc(F)c(CN(C)Cc2cc3c(cc2O)OCO3)c1	766634016	XMHOMHKXWMCTNY-UHFFFAOYSA-N	303.333	3.200	10	20	DGCD	
COc1cccc(O)c1CN1CCN(CC2CCCCC2)CC1	768241202	NAYYSLWLZZRPON-UHFFFAOYSA-N	318.461	3.099	10	20	DGCD	
Cc1cc(NC(=O)c2cc(O)cs2)nn1-c1cccc(F)c1	776494726	MDQUSUAUJNKYJU-UHFFFAOYSA-N	317.345	3.339	10	20	DGCD	
Cc1ccc(CNC[C@H](O)c2ccc(OC(C)C)cc2)c(O)c1	877042083	MGFZQALSIDRXOO-IBGZPJMESA-N	315.413	3.311	10	20	DGCD	
CCOC(=O)C[C@](C)(NCc1cc(C)c(C)cc1O)C(C)C	775373223	AWZLBQNUXMYEJV-SFHVURJKSA-N	307.434	3.467	10	20	DGCD	
CCC[C@]1(C)NC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O	777599131	DURXNXQGTAVZRY-SFHVURJKSA-N	317.433	3.143	10	20	DGCD	
Nc1c(Cl)ccc(C(=O)NCc2ccccc2O)c1Cl	774066277	SHEFJTBUOFUKMH-UHFFFAOYSA-N	311.168	3.211	10	20	DGCD	
C[C@H](NC[C@@H](O)CCc1ccccc1)c1c(O)cccc1F	886588707	XSCIHDKLIHXGKH-ZFWWWQNUSA-N	303.377	3.176	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H](C)OC)cc1	782209435	FXZZNWGEGKGSCQ-OAHLLOKOSA-N	306.450	3.306	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCCOC(C)(C)C)cc1F	795830068	ROPRWYBKQNPDGS-UHFFFAOYSA-N	310.413	3.103	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@H]2CCC[C@@H](C)C2)c(O)c1	792903721	KWMYDKYGPLIPLQ-OLZOCXBDSA-N	306.406	3.026	10	20	DGCD	
CN1C(=O)/C(=C\c2cscc2Br)SC1=S	794681530	SKHRZNVBVPPMNT-FARCUNLSSA-N	320.258	3.342	10	20	DGCD	
CC[C@@H](NC[C@H](CO)Cc1ccccc1)c1ccc(F)cc1O	796704155	XKFXLMYXBSCMFZ-CRAIPNDOSA-N	317.404	3.423	10	20	DGCD	
O=C1NCCc2ccc(NCc3c(O)ccc(Cl)c3F)cc21	790981335	NHKHMEMJUQUDPW-UHFFFAOYSA-N	320.751	3.083	10	20	DGCD	
CCCC(=O)N1C[C@@H](CNCc2ccc(OC)c(C)c2)C[C@@H]1C	980307255	OGSMYVSAUWYJSE-DOTOQJQBSA-N	318.461	3.130	10	20	DGCD	
C[C@@H](NC(=O)CCCC(=O)OC(C)(C)C)c1ccccc1O	1332381399	NTSMDBUPALZOOR-GFCCVEGCSA-N	307.390	3.081	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2ccccc2C)c1	1331502981	GTXSIUOJEGBCSV-HNNXBMFYSA-N	312.413	3.439	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCC(=O)N2CCC[C@H](C)C2)c(O)c1	1343914572	BLJGNHDPTAJGLS-XJKSGUPXSA-N	318.461	3.308	10	20	DGCD	
Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C)c(C)c1	1355369211	FVPGSLSHACTGMK-UHFFFAOYSA-N	322.412	3.441	10	20	DGCD	
C[C@H]1CCc2sc(C(=O)NCc3cccc(O)c3O)cc2C1	1350300205	OAZSOEFZQGUSNA-JTQLQIEISA-N	317.410	3.214	10	20	DGCD	
CN1CCCc2cc(CNCc3ccsc3C(=O)O)ccc21	1606230060	NMDGGUHVOWIHTM-UHFFFAOYSA-N	316.426	3.119	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@@H]2C(=O)O)cc1F	1609998993	DCDDHMRCXQJHIP-ZFWWWQNUSA-N	308.397	3.015	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(O)c1O	1607734211	QOFURDCDYCPNFG-UHFFFAOYSA-N	321.716	3.010	10	20	DGCD	
CCOc1cccc(CN(C)c2ccc(OCC(=O)O)cc2)c1	1610045531	UFTRNRJVAOYJMX-UHFFFAOYSA-N	315.369	3.185	10	20	DGCD	
CN(C)[C@@H](CNCc1cc(Cl)ccc1O)c1cccs1	20000084	NNUXTJTWZGQEDO-ZDUSSCGKSA-N	310.850	3.500	10	20	DGCD	
C[C@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(N)cc1	841296220	QXGVECXTOVJEBU-CQSZACIVSA-N	313.401	3.074	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCO[C@H](C)C2)c1C	54134564	MXFZELCJRBKVJK-OAHLLOKOSA-N	312.413	3.263	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccs1	53661758	LRRUXJLQQUDRSJ-UHFFFAOYSA-N	302.443	3.405	10	20	DGCD	
CCn1c(C)cc(C(=O)NCc2ccc(N(C)C)cc2C)c1C	115489946	RRVVIGKVMYZSHA-UHFFFAOYSA-N	313.445	3.429	10	20	DGCD	
CC[C@H](NC[C@H](O)COc1cccc(C)c1)c1ccccc1O	183316447	IHPWEAXZIGVBPR-YJBOKZPZSA-N	315.413	3.181	10	20	DGCD	
CC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	128544381	JDRKKCOWIRCDFM-ZDUSSCGKSA-N	312.413	3.500	10	20	DGCD	
Cc1noc(C2CCN(Cc3cc(C)c(C)cc3O)CC2)n1	68966720	VPTONVJGMPVZOR-UHFFFAOYSA-N	301.390	3.080	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(C(=O)C(F)(F)F)CC2)c1	187656379	XREOMLJEASHMEO-UHFFFAOYSA-N	301.308	3.044	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc([C@@H](C)O)cc2)c1	185119783	XBLSJDNAVXCFLR-CHWSQXEVSA-N	301.386	3.305	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(Br)ccc2O)[C@@H](C)C1	282371589	QHTDCJBPYCYUML-GXFFZTMASA-N	314.223	3.154	10	20	DGCD	
CC[C@@H](CSC)NCc1cc(Br)ccc1O	132050353	TWMALTVAKJCGRW-NSHDSACASA-N	304.253	3.386	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1ccc(Cl)s1	85203947	YMCVSSBRSXKECX-UHFFFAOYSA-N	307.755	3.047	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCc2c(O)cccc21	190639846	DGTVTRUYIYMHMS-INIZCTEOSA-N	311.381	3.176	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1	246718090	MMVRQVOTTVNWJA-SLEUVZQESA-N	306.406	3.025	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3OCCC[C@H]3C2)c1O	246911015	VWXZSFORUWKEPP-LRDDRELGSA-N	323.820	3.249	10	20	DGCD	
C/C=C(\C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	267514614	LILADKPFSCNVEN-IQXODGKNSA-N	316.445	3.226	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NC[C@@H](C)N(C)C)c1O	275387124	YJDYPGVQLWNVIF-GHMZBOCLSA-N	315.255	3.064	10	20	DGCD	
COc1ccc(O)c(CN2CCO[C@@H](c3ccccc3C)C2)c1	367739531	GOFSLCZHQJZZJM-LJQANCHMSA-N	313.397	3.283	10	20	DGCD	
CCC1(O)CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	271169159	DJOMLMZERMQLPW-UHFFFAOYSA-N	304.217	3.436	10	20	DGCD	
CC(=O)Nc1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl	386055602	GOPGHTYMDOVNFG-UHFFFAOYSA-N	317.776	3.062	10	20	DGCD	
CCN(CC(=O)N1CCCCCC1)Cc1c(O)cccc1Cl	809713990	SUDJPVWJIFTMAR-UHFFFAOYSA-N	324.852	3.270	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H]2CCCC2(C)C)c1O	297457029	KILRDLGVBOYNBO-ZDUSSCGKSA-N	306.406	3.026	10	20	DGCD	
CON(CC(C)(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807142181	ZZJOEXIYFNIIRJ-CYBMUJFWSA-N	307.438	3.433	10	20	DGCD	
C[C@H](N[C@@H]1CCCNC1)c1ccc(N2CCCCC2)c(F)c1	817940099	DWVDMLQDCUKJJZ-GOEBONIOSA-N	305.441	3.219	10	20	DGCD	
Cc1cc(C(=O)OCCCc2cn[nH]c2)c(C)n1-c1ccccn1	816160678	NJFIVMDNEVWWRC-UHFFFAOYSA-N	324.384	3.002	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Cl	826048663	JSPBXGZXTCHCEB-IMJJTQAJSA-N	309.837	3.479	10	20	DGCD	
COc1cccc(CNC[C@@](C)(OC)c2ccccc2)c1O	824780475	QDCOJXWDKYGQGC-GOSISDBHSA-N	301.386	3.052	10	20	DGCD	
CC(C)[C@@H]1CN(C)CCN1Cc1cc(C(C)(C)C)cc(O)c1O	738285878	QDXSTYFTHXWTFJ-INIZCTEOSA-N	320.477	3.167	10	20	DGCD	
C/C(=C\C(=O)N1CC2(CCC2)c2ccccc21)c1cnccn1	830940180	NIEQIHPPSLSMGP-SDNWHVSQSA-N	305.381	3.348	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC12CCC2	839920070	KIQORAMQMRCTJA-WMLDXEAASA-N	300.446	3.298	10	20	DGCD	
Cc1ncc(CN(Cc2ccco2)Cc2ccccc2O)cn1	732202552	WEAKGRYINVQGNX-UHFFFAOYSA-N	309.369	3.286	10	20	DGCD	
CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(O)cc2O)cc1	910951238	PTCJTWCQBKFHBK-LBPRGKRZSA-N	315.369	3.205	10	20	DGCD	
Cc1ccccc1[C@H]1CN(C(=O)c2cc(O)cs2)[C@H](C)CO1	743710841	WKRCMZVWOROPEC-IUODEOHRSA-N	317.410	3.364	10	20	DGCD	
C[C@@H](NC[C@H](O)C1CCC1)c1cccc(C(F)(F)F)c1O	834906675	RTMNJWGRXZEFAJ-RNCFNFMXSA-N	303.324	3.223	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]c2ncccc12	743716892	OJAVDUXSORBLFU-UHFFFAOYSA-N	321.380	3.077	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC/C=C\c2ccc(F)cc2)cc1	841046054	VJYDAJFRUILBEW-LLHWWHOWSA-N	313.420	3.195	10	20	DGCD	
CCc1ccc([C@H](C)CC(=O)NCc2ccc(O)cc2O)cc1	910951554	SZSHALPLDZCRKJ-CYBMUJFWSA-N	313.397	3.470	10	20	DGCD	
COc1cc(Cl)cc(CN2CCOC[C@@H]2C2CCC2)c1O	843428784	NCOSTDCWRUINQM-CQSZACIVSA-N	311.809	3.055	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1nnc(C(F)F)o1	840384014	DFBUAWLRKLQBJE-SNVBAGLBSA-N	310.348	3.425	10	20	DGCD	
CCn1ccc(CN[C@H](C)c2ccc(Br)cc2O)n1	840839885	ANSMUQZZMWTWNP-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cccc(OC)c2O)c(F)c1	846153196	HOVKNLQHXLJUOY-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CCC(C)(C)C)C(=O)O)cc1F	840998614	KOGIQCQRBLXRNJ-AWEZNQCLSA-N	310.413	3.261	10	20	DGCD	
O=C(NCc1ccccc1O)c1occc1COc1ccccc1	748349972	OCEMVEKGTVALKH-UHFFFAOYSA-N	323.348	3.494	10	20	DGCD	
CCc1cccc(CN(C)Cc2cc(C(=O)OC)c(C)o2)c1O	848880406	HJCZOLLTEHJKOB-UHFFFAOYSA-N	317.385	3.275	10	20	DGCD	
CCOCCOCCN[C@H](C)c1cc(Cl)c(Cl)cc1O	927087381	NEKFDDOGPPCDAU-SNVBAGLBSA-N	322.232	3.403	10	20	DGCD	
COCC1CCC(NCc2cc(F)c(N(C)C)cc2F)CC1	858178260	LLZLGCYQLBLDBO-UHFFFAOYSA-N	312.404	3.326	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2COc3cc(F)ccc3C2)c(O)c1	850536772	JSUZMWGKBJRRGH-WFASDCNBSA-N	301.361	3.494	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2cccc3c2oc(=O)n3C)c1	756855634	LSUSZPUAIVBVEB-SNVBAGLBSA-N	314.341	3.019	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1C	750827077	VJTVNYCWBRCLNJ-MLGOLLRUSA-N	322.424	3.039	10	20	DGCD	
CCOc1ccc(CN(Cc2ccccc2)C[C@H](C)O)c(O)c1	768892085	FZELGONQDGOAGT-HNNXBMFYSA-N	315.413	3.174	10	20	DGCD	
CC[C@H](C)n1nc(C(=O)NCc2cc(C)ccc2O)cc1C	862757563	YQZMVLUWALYZES-LBPRGKRZSA-N	301.390	3.107	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2ccccc2F)c1	761974202	VASUPBMWBRCTRR-UMAGTOLTSA-N	315.344	3.431	10	20	DGCD	
C[C@@H]1[C@@H](N2CCCC2)CCN1Cc1ccc(N2CCCC2)cc1	1117582783	BALNORPQUOZHNN-XLIONFOSSA-N	313.489	3.345	10	20	DGCD	
CCO[C@@H](CNCc1c(O)cccc1OC)c1ccccc1	775029216	XXGLQVBRJLKIBK-SFHVURJKSA-N	301.386	3.268	10	20	DGCD	
Cc1cccc(CN2CCC[C@H](OCC(F)(F)F)C2)c1O	775654203	IGPJVJPXORXTFR-ZDUSSCGKSA-N	303.324	3.244	10	20	DGCD	
CCC(CC)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774482083	FOPLVHYOOLXXOX-KBPBESRZSA-N	305.466	3.097	10	20	DGCD	
CO[C@]1(C(F)(F)F)CCCN(Cc2cc(C)ccc2O)C1	783716495	AGIBATARRVGCBY-CQSZACIVSA-N	303.324	3.244	10	20	DGCD	
COc1ccc(C(=O)NCc2ccccc2O)c(OC(C)C)c1	789816961	TUTDILRNJSTTTO-UHFFFAOYSA-N	315.369	3.118	10	20	DGCD	
Cc1cccc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)c1O	785984463	FKKZECOSGSCHGR-QGZVFWFLSA-N	316.445	3.114	10	20	DGCD	
CC[C@H](CO)N(C)Cc1cc(Cl)cc(Br)c1O	894871450	UVTCVSUEOBLGAI-SNVBAGLBSA-N	322.630	3.011	10	20	DGCD	
CO[C@@H](C)CN[C@H](C)c1cc(Br)cc(Cl)c1O	785571868	BWQUZEAMCFGEJS-JGVFFNPUSA-N	322.630	3.494	10	20	DGCD	
COc1ccc(CN[C@H](C)CCc2ccco2)c(O)c1OC	892415589	KYILIQHFTYKTDS-GFCCVEGCSA-N	305.374	3.113	10	20	DGCD	
COc1ccc(CN(C)Cc2ccccc2C)c(O)c1OC	891471318	KSAHQDQSAZCGCB-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
CC/C(C)=C(/C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	780859286	YVNLXHGCPQHBQP-NXVVXOECSA-N	316.445	3.228	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C(C)C)[C@@H](O)c2ccccc2)c1	789778163	FUDXGDUDNBIKBY-MOPGFXCFSA-N	315.413	3.249	10	20	DGCD	
CCN(C(=O)/C=C\c1cnn(C)c1)c1ccc(Cl)cc1F	799409439	BUFNHSQNIPGNOP-DAXSKMNVSA-N	307.756	3.279	10	20	DGCD	
CCOC(=O)C[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1O	1320481830	ZVCWOZYZIUTMPT-LBPRGKRZSA-N	315.772	3.102	10	20	DGCD	
Nc1ccc(Cc2noc(-c3ccc(OCC4CC4)nc3)n2)cc1	1332359308	MIDGYRYZWAIDJJ-UHFFFAOYSA-N	322.368	3.093	10	20	DGCD	
CCOC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(C)C	1261814337	YOSWHGAGUHAPDD-OAHLLOKOSA-N	300.393	3.182	10	20	DGCD	
CC(=O)C1(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1	1262178397	AKXWODLSFQARND-UHFFFAOYSA-N	314.360	3.085	10	20	DGCD	
C[C@H]1C[C@@H](C)CN1c1nnc(-c2sccc2O)n1CC1CC1	1520582134	ZXRIJUFAAKXKTH-MNOVXSKESA-N	318.446	3.357	10	20	DGCD	
CCCC[C@H](CN)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	1577397050	LAOFIAAKEDXDCA-QGZVFWFLSA-N	313.445	3.341	10	20	DGCD	
CC[C@@H](C)C[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)O	1594953321	NQJASHVYZWYLID-PELKAZGASA-N	303.761	3.164	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2C[C@H](C(=O)O)CC[C@@H]2C)c(C)c1	1776856785	LIENOJQSXZKJDT-JCKWVBRZSA-N	318.461	3.430	10	20	DGCD	
C[C@@]1(C(=O)O)CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1	1776501778	ONDYJCOLBYICKM-IINYFYTJSA-N	318.200	3.432	10	20	DGCD	
O=S(=O)(C1CC1)N(Cc1ccccc1O)C1CCCCC1	158137750	LNPKEOPOLJFUQI-UHFFFAOYSA-N	309.431	3.019	10	20	DGCD	
CCc1cnc(CN(C)Cc2cc(C)cc(OC)c2O)s1	164447318	DDEKGZSYVBVDFO-UHFFFAOYSA-N	306.431	3.360	10	20	DGCD	
C[C@@H]1SCC[C@H]1NCc1cc(Br)cc(F)c1O	715790720	CPEDUIZJLADCJG-WRWORJQWSA-N	320.227	3.277	10	20	DGCD	
CCS(=O)(=O)Nc1ccc(NCc2cc(C)ccc2O)cc1	103855701	SKGIGEPSCGPFOJ-UHFFFAOYSA-N	320.414	3.074	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCc3ccccc3CC2)cc1	116407150	XLECGNSALJOZIN-UHFFFAOYSA-N	323.440	3.063	10	20	DGCD	
C[C@H]1CN(Cc2c(O)ccc3oc4c(c23)CCCC4)CCO1	54445735	YOOKOEKEAPAUIC-LBPRGKRZSA-N	301.386	3.238	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)ccc1F	173198171	CWTMBHSFZNLPPD-UHFFFAOYSA-N	318.323	3.070	10	20	DGCD	
O=C(OCc1ccccc1)[C@@H]1CCCN1Cc1ccccc1O	179556027	AZRGOTDYLCYPEO-KRWDZBQOSA-N	311.381	3.100	10	20	DGCD	
C[C@H]1CN(C)CC[C@@H]1N(C)Cc1ccc(N2CCCC2)cc1	1343352645	BZTIGDVKMLVCCY-LPHOPBHVSA-N	301.478	3.059	10	20	DGCD	
C[C@@H](NCCCF)c1ccc(N2CCOCC2)cc1Cl	126950595	MYZIREHDLMAPKR-GFCCVEGCSA-N	300.805	3.187	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)COc2ccccc2C)cc1F	121829181	CPSUJVHNBDSYLB-OAHLLOKOSA-N	319.376	3.019	10	20	DGCD	
CN(Cc1nc(Cc2ccccc2)no1)c1ccc2c(c1)OCO2	121276712	YNNYBBVAVVTVLT-UHFFFAOYSA-N	323.352	3.026	10	20	DGCD	
COc1cccc(CNC(=O)NC2CCCCCCC2)c1O	73430917	UCPBTJDDRXWQAR-UHFFFAOYSA-N	306.406	3.313	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1cccc(OC)c1O	184714775	URWJUNXSLMVQPC-UKRRQHHQSA-N	321.417	3.002	10	20	DGCD	
CC[C@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccccc1O	183316669	NZTQYPITDRMZCS-YOEHRIQHSA-N	312.413	3.138	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H]1CCN(C2CC2)C1	314767419	WHKOEUFBJFFAMA-IIAWOOMASA-N	300.446	3.323	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2cnn(Cc3ccncc3)c2)c1	186389449	LESDUXZYFOJZBW-ZDUSSCGKSA-N	324.384	3.214	10	20	DGCD	
CCOCCN(C)Cc1ccc(OCc2ccccc2)cc1O	183166260	MWPRZIYWSXYFTI-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
COc1cc(Cl)cc(CNCCCN2CCCCC2)c1O	228669965	REUIGOYYMFRSDX-UHFFFAOYSA-N	312.841	3.020	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)OC[C@H]2C)cc1	45449240	ZWCHIAWWUJMEGK-HZPDHXFCSA-N	312.413	3.344	10	20	DGCD	
COc1cc(Cl)cc(CN(CCO)c2ccccc2)c1O	191970265	PMNSLBWJGQVNJB-UHFFFAOYSA-N	307.777	3.053	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCCCCN)c2C)c1	237845979	AIDLXYSKTOCVFM-UHFFFAOYSA-N	313.445	3.180	10	20	DGCD	
CCCSCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	264679474	KQELHAXIIATJLU-HNNXBMFYSA-N	323.458	3.043	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCN2C)c1cccc(CO)c1	270428933	HOBHQCMVAYJKGA-HNNXBMFYSA-N	310.441	3.412	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC3(CCC3)[C@H]2C2CC2)c1O	378142739	URIIXQFWHHFEEW-MRXNPFEDSA-N	318.373	3.074	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1	281575823	CWESIHPTQDEOSA-YGRLFVJLSA-N	311.809	3.248	10	20	DGCD	
CC[C@@H](N[C@@H]1CC[C@H](C(=O)OC)C1)c1cccc(Cl)c1O	286894175	DEWOUEMGUXMJDM-MISXGVKJSA-N	311.809	3.428	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNC[C@@H](O)C2CC2)cc1	296140449	VDSVMZVOBCEDAG-GOSISDBHSA-N	316.470	3.245	10	20	DGCD	
CC(C)OC[C@H](C)NCc1cccc(Br)c1O	800525633	VZEXOWAWQIEGDO-JTQLQIEISA-N	302.212	3.058	10	20	DGCD	
CNC(=O)Nc1cc(NCc2cc(F)ccc2O)ccc1F	809698376	CWDVXLZIOWOJQA-UHFFFAOYSA-N	307.300	3.034	10	20	DGCD	
Cc1ccc(O)c(CN(C)CCc2cccc([N+](=O)[O-])c2)c1	802658109	KBJBCJVLEFOLNY-UHFFFAOYSA-N	300.358	3.283	10	20	DGCD	
Cc1cccc(CN(CCN(C)C)Cc2ccccc2F)c1O	809732177	FSLHDVOBVZRYKC-UHFFFAOYSA-N	316.420	3.404	10	20	DGCD	
O=C(O)[C@H]1C[C@H]2CC[C@H]1N(Cc1c(O)ccc3ccccc13)C2	394664209	PBUZKJHZPJTCNX-ISTRZQFTSA-N	311.381	3.231	10	20	DGCD	
Cc1cc(C(=O)OCC[C@@H]2CCOC2)c(C)n1-c1ccccn1	816442858	BKDPJMDJGJUSCP-HNNXBMFYSA-N	314.385	3.073	10	20	DGCD	
CC[C@@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)OC	810176025	HGTPACHDHFHNSA-ZDUSSCGKSA-N	304.356	3.286	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@H](C)COC	812563464	ALUYVGMRTISLBO-CABCVRRESA-N	307.434	3.440	10	20	DGCD	
CCOc1ccc(CNc2nc3cc(Cl)ccn3n2)c(O)c1	811839743	DQXPFKQWZIVRCL-UHFFFAOYSA-N	318.764	3.099	10	20	DGCD	
COc1cc(CN2CCOC[C@@H]2C2CC2)c(O)c(C(C)(C)C)c1	824861957	FBLXLTIQDJVBBM-QGZVFWFLSA-N	319.445	3.309	10	20	DGCD	
COC[C@H](NCc1ccc(N2CCC(OC)CC2)cc1)C(C)C	828802832	QCQRJMIIAUITBT-IBGZPJMESA-N	320.477	3.062	10	20	DGCD	
C[C@H](NCc1nnc(C2CC2)s1)c1ccc(N(C)C)cc1	828959599	NSBUCAMSBMSFQM-NSHDSACASA-N	302.447	3.332	10	20	DGCD	
CCCCC[C@H](C)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832274058	RKOZZOLZTMLQRA-YJBOKZPZSA-N	319.493	3.475	10	20	DGCD	
CN(Cc1ccccc1O)[C@H](C(=O)O)c1cccc(Cl)c1	737493654	HEZQYDCNWSTRSR-HNNXBMFYSA-N	305.761	3.303	10	20	DGCD	
CCc1cccc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)c1O	848897367	PQZWYRIHVBKOLY-QGZVFWFLSA-N	324.424	3.129	10	20	DGCD	
CC(C)CO[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1	742468584	MEWRONHMPIPDCM-MRXNPFEDSA-N	318.461	3.354	10	20	DGCD	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	916826549	HYOZIQVPKSHKOB-BMIGLBTASA-N	305.333	3.057	10	20	DGCD	
C[C@@H]1C[C@H](Nc2ccc3c(c2)nnn3C)c2c(O)ccc(F)c21	842900489	IYGYDIGIVMONDH-RNCFNFMXSA-N	312.348	3.473	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC[C@H]1N	846677141	NLAGSFRVUODPBS-FUHWJXTLSA-N	317.477	3.007	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)c1ccc(F)cc1F	840927714	APAIXKHIVPZPKN-SFHVURJKSA-N	320.383	3.162	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@H]1CCCN2CCCC[C@@H]12	848927254	DHYZRIGEKSNBJK-GJZGRUSLSA-N	312.816	3.291	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1O	841765070	UPTNFXOHLFGIGP-SCRDCRAPSA-N	324.852	3.343	10	20	DGCD	
CCn1c(C)nc([N+](=O)[O-])c1NCc1cc(Cl)ccc1O	845706776	CDBGEAHOZNEJCR-UHFFFAOYSA-N	310.741	3.091	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccc(Cl)o3)ccc21	746811521	JVJODNSOMTURDX-UHFFFAOYSA-N	304.777	3.245	10	20	DGCD	
O=C(Nc1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1)c1cc(O)cs1	743457217	QFIMRLUNECGLCC-ATZCPNFKSA-N	303.387	3.333	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H]2CS[C@H](C)C2)c1O	840959638	XPWRUPDZAACGPB-SKDRFNHKSA-N	316.264	3.447	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1C	840122419	DBUFXZRWMOELNA-BLLLJJGKSA-N	307.434	3.252	10	20	DGCD	
C[C@H](CCCC(F)(F)F)NCc1cc2c(cc1O)OCO2	755224229	ZFKBETWNSRHWRM-SECBINFHSA-N	305.296	3.332	10	20	DGCD	
CCOC(=O)c1cnc(N[C@H](C)c2cc(OC)ccc2O)s1	853269396	PTOJBFBVDVALBF-SECBINFHSA-N	322.386	3.207	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCO[C@H]2CC(C)C)c1	858373121	YSVLIROVKIFPOJ-WBVHZDCISA-N	320.433	3.094	10	20	DGCD	
C[C@H](NCc1cccc2c1OCCO2)c1cc(F)cc(F)c1O	756703097	FINVJJVOCOHRLK-JTQLQIEISA-N	321.323	3.292	10	20	DGCD	
OC[C@H]1C[C@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)C1	923005463	UDZWYONVMJVJKX-KESTWPANSA-N	322.452	3.110	10	20	DGCD	
C[C@H](NCc1ccccc1O)c1noc(Cc2ccccc2)n1	752265581	JZHZZKAEFSZEPQ-ZDUSSCGKSA-N	309.369	3.217	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccc(C)c(F)c2)cc1	753592436	YKVDBIJWTOBHMV-UHFFFAOYSA-N	317.360	3.322	10	20	DGCD	
CCOc1ccc(CN(C)C2CCN(C(C)C)CC2)c(O)c1	768228750	IWHUCXNISWTEFH-UHFFFAOYSA-N	306.450	3.096	10	20	DGCD	
CCOc1cccc(CNCCN2CCCC(C)(C)C2)c1O	767736300	CYQLXBDDWQVYBR-UHFFFAOYSA-N	306.450	3.003	10	20	DGCD	
CCOc1ccc(CN(C)Cc2cccc(OC)c2)c(O)c1	768164406	ZNGHIIMVKHYHAA-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
C[C@H](NC[C@@]1(C)CCO[C@@H]1C1CC1)c1cc([N+](=O)[O-])ccc1O	768295458	SIGCXPRSPMJDJX-YMRXKLBXSA-N	320.389	3.156	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H](O)c1c(F)cccc1Cl	877058211	VFNQSPDDABYIFP-OAHLLOKOSA-N	309.768	3.316	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@H](OCc2ccccn2)C1	877645483	MQCGAFFEJDGMBY-AWEZNQCLSA-N	318.804	3.232	10	20	DGCD	
CCCOc1ccc(CNCc2ccnc(OC)c2)cc1C	873010938	QNIHRNIQJBVYLF-UHFFFAOYSA-N	300.402	3.477	10	20	DGCD	
Cc1ccc(CN2CCO[C@@H](c3cccc(F)c3)C2)c(O)c1	876681874	AVHKOHIZTVDWGX-GOSISDBHSA-N	301.361	3.413	10	20	DGCD	
CCc1nc(C(=O)NCc2ccc(N3CCCCC3)cc2)co1	772509295	BEEOBRHFODYCNI-UHFFFAOYSA-N	313.401	3.157	10	20	DGCD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)o1	779500347	PAFGNXBVDBALKZ-RIEIZIRISA-N	313.353	3.144	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC4(CCC4)CC3)cc2)CC1	877520127	OBCUODOFKQTHJC-UHFFFAOYSA-N	314.473	3.414	10	20	DGCD	
O=C(O)C[C@@H](NCc1ccc(N2CCCCC2)cc1)C1CC1	779491645	RWPQODYQRFIZBG-QGZVFWFLSA-N	302.418	3.020	10	20	DGCD	
C[C@@H](NC(=O)c1ccnc(Cl)c1)c1ccc(N(C)C)cc1	772998888	KWVWJEOHZUKABM-LLVKDONJSA-N	303.793	3.292	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1	882706750	ZGXNAYKRMNYEQW-GOEBONIOSA-N	321.373	3.138	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1c(O)cccc1F	886553895	XRDBRDPSOHHGOL-MKBNYLNASA-N	311.422	3.237	10	20	DGCD	
C/C=C(\CC)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	788832374	OAODUBMPHHAVKY-KMUBYUNESA-N	302.418	3.057	10	20	DGCD	
C[C@@H](NCc1cccc2c1OCCO2)c1c(O)cccc1F	886548023	WGQVHVCZNNSHPX-LLVKDONJSA-N	303.333	3.153	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)N[C@H](C)c1cc(F)cc(F)c1O	786583252	QBQUBEUZUOQOMZ-DOMZBBRYSA-N	321.367	3.233	10	20	DGCD	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1ccccc1O	387691115	VFJGMFUHHPDQMK-CYBMUJFWSA-N	308.422	3.127	10	20	DGCD	
Cc1ccc(CN(C[C@H](C)O)c2ccc3c(c2)OCCO3)s1	799132768	LXERSHLSINRRSJ-LBPRGKRZSA-N	319.426	3.215	10	20	DGCD	
CCN(C(=O)/C=C\c1cnn(C)c1)c1ccc(Cl)c(F)c1	799409016	JCBZZMKGQDDMLD-DAXSKMNVSA-N	307.756	3.279	10	20	DGCD	
COc1ccc(CNC(=S)N[C@H](C)c2ccccc2)c(O)c1	795032252	RZZGHUOPBRBBKL-GFCCVEGCSA-N	316.426	3.126	10	20	DGCD	
COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1F	1319477416	AQNHAJQUFVBRED-UVTDQMKNSA-N	320.389	3.291	10	20	DGCD	
C[C@@H](NC(=O)c1c2ccccc2nn1C)c1ccc(N(C)C)cc1	1320404385	ZJZSMYNBWFSQPH-CYBMUJFWSA-N	322.412	3.130	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21	1337785085	JMAYVYPTIRABPG-ARFHVFGLSA-N	320.477	3.195	10	20	DGCD	
CCC(CC)(CCO)CNCc1cc(F)c(N(C)C)cc1F	1331498145	KVRZANIMNJKZGS-UHFFFAOYSA-N	314.420	3.309	10	20	DGCD	
CCN(Cc1ccccc1)c1nnc(-c2sccc2O)n1C	1262854827	XNGWQAUJMSWTQZ-UHFFFAOYSA-N	314.414	3.276	10	20	DGCD	
C[C@@H](NCCCCC(=O)O)c1cc(Br)ccc1O	1603248545	GVJDHNQCYYMVNX-SECBINFHSA-N	316.195	3.060	10	20	DGCD	
C[C@@H]1C[C@H](NC2CCC(C(=O)O)CC2)c2c(O)ccc(F)c21	1589291460	IVFRCODADDSPPC-PGHLRGPGSA-N	307.365	3.313	10	20	DGCD	
CCCN(Cc1ccc(C(=O)O)cc1F)c1ccc(CN)cc1	1595888998	VPOHDQLTZDGGQX-UHFFFAOYSA-N	316.376	3.399	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CC=CCC2)cc1F	102003136	YFERICZQUQQTQS-CYBMUJFWSA-N	305.397	3.047	10	20	DGCD	
C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)Cc1ccccc1O	111235929	OUVNTVASHQBXAA-CABCVRRESA-N	324.424	3.190	10	20	DGCD	
COc1ccc(O)c(CN2CCO[C@H](c3ccc(F)cc3)C2)c1	179718782	XAMDEFAZCYRVRP-SFHVURJKSA-N	317.360	3.113	10	20	DGCD	
C[C@@H](Sc1nccs1)C(=O)N(C)Cc1cccc(F)c1	64661031	ZDOBACKIHHHDLC-SNVBAGLBSA-N	310.419	3.421	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC[C@@H]3C[C@@H](C)O)c2c1	305274158	ZRMUCZXKQQXOJR-UKRRQHHQSA-N	315.413	3.289	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(F)c1	27579047	IROXLNXLRTVBQW-UHFFFAOYSA-N	314.360	3.226	10	20	DGCD	
CCO[C@@H]1C[C@H](NCCCSc2nccs2)C1(C)C	181773817	DVLHPUWNNIACEI-NWDGAFQWSA-N	300.493	3.419	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(OC)c1O	184714755	URWJUNXSLMVQPC-ZFWWWQNUSA-N	321.417	3.002	10	20	DGCD	
COc1ccc(N(Cc2cc(=O)c(O)co2)[C@@H](C)C2CC2)cc1	124745713	IUXZOFQUKMJLKX-LBPRGKRZSA-N	315.369	3.159	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(Br)ccc2O)[C@H](C)C1	282371593	QHTDCJBPYCYUML-MFKMUULPSA-N	314.223	3.154	10	20	DGCD	
Cc1ccc(C(=O)N[C@H]2CCCc3sccc32)c(O)c1O	137412632	UNNBDEPVYKEXLV-LBPRGKRZSA-N	303.383	3.275	10	20	DGCD	
C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1O	191193841	TXGCWQURTGLOLX-LKFCYVNXSA-N	311.303	3.194	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(C)c1	96733734	YQWPNFFTODYHIX-UHFFFAOYSA-N	310.397	3.392	10	20	DGCD	
Cc1cccc([C@H](NCc2ccc(N(C)C)cc2)C(=O)O)c1C	277207974	HBPIZMGMBNTNHK-SFHVURJKSA-N	312.413	3.285	10	20	DGCD	
C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O	279255623	IRDIDQALHSYHTN-HIFRSBDPSA-N	311.381	3.191	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cccc(OC)c2)c1	273441353	YPHYATCKQOEUMV-LBPRGKRZSA-N	315.369	3.038	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)COC	283626532	HTGDWSKRYNKUMM-HNNXBMFYSA-N	308.422	3.129	10	20	DGCD	
C[C@H](NCc1cc(F)ccc1O)[C@H]1OCCc2sccc21	292695944	BTVQPWWLCWKPCQ-MGPLVRAMSA-N	307.390	3.385	10	20	DGCD	
CCOc1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)c(O)c1	809693731	ZWBVVHCGHKJDAG-MRXNPFEDSA-N	301.390	3.241	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)OC[C@@H]1CCCO1	804960518	RDZDOVWEPOZLAQ-KRWDZBQOSA-N	320.433	3.279	10	20	DGCD	
Cc1ccc(O)cc1C(=O)NCc1c(O)ccc2c1CCCC2	816939166	VOSUUIGUYXUDRN-UHFFFAOYSA-N	311.381	3.215	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCN3)ccc21	817901768	YHSDSKCOXUXYOW-GUDVDZBRSA-N	313.489	3.079	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCSC1	810112458	VITPZAKOJNMQKL-HNNXBMFYSA-N	304.459	3.046	10	20	DGCD	
C[C@H](CCN(C)C)N[C@H](C)c1cccc(C(F)(F)F)c1O	815570989	QSBNUAPMOIPHDY-GHMZBOCLSA-N	304.356	3.402	10	20	DGCD	
CC[C@H](CN[C@H](C)c1cc(Br)cc(F)c1O)OC	810260048	CKHMHTCIEKPIBF-PSASIEDQSA-N	320.202	3.369	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCN1	817897834	CCMLFNBVIGKVIZ-SLFFLAALSA-N	313.489	3.297	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2nc(C)n(C)n2)c1	817019009	LXJCJCQQFWQYKA-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(Br)c(C)n2)c1	811806048	IHOXITSAFZWOAW-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
O=C(NCc1ccccc1O)c1cnc(-c2ccco2)s1	728967455	LPSGLWOFHWFRQX-UHFFFAOYSA-N	300.339	3.039	10	20	DGCD	
COc1ccc(CN[C@@H]2CCO[C@H](c3ccncc3)C2)cc1C	824949413	YCBDHSBKNKXZPC-MJGOQNOKSA-N	312.413	3.409	10	20	DGCD	
O=C1CC[C@@H]2CN(C(=O)/C=C\c3cccnc3)c3cccc1c32	492622081	WOQURMJHOSFACK-DEBLGDTFSA-N	304.349	3.202	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Cl)ccn1	915082350	CRQMLKUNHLOAIW-UHFFFAOYSA-N	315.804	3.265	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cccc(OC)c2O)cc1OC	846138991	ZIHZASXRHFYYHC-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
CCc1ccc(C(C)(C)C(=O)NCc2ccc(O)cc2O)cc1	910951820	VOEWRYDNGLEHSM-UHFFFAOYSA-N	313.397	3.254	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2sccc2C)cc1	844852152	MCWLCFDDUYMZIV-UHFFFAOYSA-N	318.442	3.274	10	20	DGCD	
Cc1ccc([C@@H](C)C(=O)NCCCSc2nccs2)o1	742669557	PPCCIBOJZMPOTB-LLVKDONJSA-N	310.444	3.447	10	20	DGCD	
Oc1cc2c(cc1CN1C[C@@]3(CCCO3)[C@@H]1C1CC1)CCCC2	840100473	YSUJLUOIPGPDFD-PMACEKPBSA-N	313.441	3.414	10	20	DGCD	
CCN(CC)c1ccc(CNCCN2CC[C@H](C)C2)cc1F	744450399	SUIXVASEMRUFRB-HNNXBMFYSA-N	307.457	3.103	10	20	DGCD	
COc1cccc([C@H](C)NCCc2ccc3c(c2)CCO3)c1O	846148157	XGQQNERJIKAWQM-ZDUSSCGKSA-N	313.397	3.229	10	20	DGCD	
COC[C@@]1(C)CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	840105993	HGSNXVWNLZPVJD-SFHVURJKSA-N	307.434	3.254	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccoc3C)CC2)cc1F	840919575	KFPICBMRYGZICK-UHFFFAOYSA-N	304.365	3.058	10	20	DGCD	
CCn1cc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)nn1	850522175	GNDHBTKEIYXVGH-OAHLLOKOSA-N	313.449	3.139	10	20	DGCD	
CCOc1cccc(CNC[C@H](OC)C2CCCCC2)c1O	850408045	WEPXCPFZZBXEBN-KRWDZBQOSA-N	307.434	3.476	10	20	DGCD	
Cc1cc(C(=O)O[C@H](C)c2nccn2C)c(C)n1-c1ccccn1	851580855	MCQDEYCPLQAZDW-CQSZACIVSA-N	324.384	3.141	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN1CC(F)(F)F)c1ccccc1O	926925728	KVIFPLPBEMQZKD-RYUDHWBXSA-N	302.340	3.070	10	20	DGCD	
C[C@@H](N[C@H](CCO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O	756660180	KJIGIIVNAKOEEU-MLGOLLRUSA-N	322.405	3.282	10	20	DGCD	
COc1ccc(N(C)Cc2cn3cc(C)ccc3n2)cc1OC	921233963	FULNWBVDDGNUFS-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
COc1cc(CN[C@H](C)CCN(C)C)c(O)c(C(C)(C)C)c1	850097173	SWFHSZNXHDMSIH-CYBMUJFWSA-N	308.466	3.128	10	20	DGCD	
C[C@@H](NC(=O)c1cccc2c1CCOC2)c1ccc(N(C)C)cc1	935465861	UTBKYOALCNKJKE-CQSZACIVSA-N	324.424	3.316	10	20	DGCD	
Cc1ccnc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1	756482067	NIYXZFDPVOXPCA-UHFFFAOYSA-N	310.445	3.407	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(O)cc2OC(C)C)c(O)c1O	762704896	YKGWNVCNIMSNHP-UHFFFAOYSA-N	317.341	3.151	10	20	DGCD	
CCO[C@@H](CC(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C	761539838	DSPRSVIMLVQZAJ-WBMJQRKESA-N	309.406	3.029	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC(F)(F)C1	763627597	OXJAHOXFGRVLSL-CQSZACIVSA-N	321.371	3.050	10	20	DGCD	
CC(C)OC1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1	862232109	PITXLDGURMNPTI-UHFFFAOYSA-N	312.404	3.420	10	20	DGCD	
Cc1ccc(C(=O)OCCC(Cl)(Cl)Cl)c(O)c1O	767522736	IKJGBKSTHAYFAI-UHFFFAOYSA-N	313.564	3.323	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)CC(=O)OC(C)(C)C)c1	1116568789	USUJSJIZOSTUGG-RYUDHWBXSA-N	309.406	3.172	10	20	DGCD	
CCc1nn(C)cc1CN(C)Cc1ccc(N(CC)CC)cc1	775647006	QLOBXSZCNVPGGO-UHFFFAOYSA-N	314.477	3.461	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H](O)c1ccc(Cl)c(F)c1	877130945	VJPIMHFCFJGBIU-INIZCTEOSA-N	309.768	3.316	10	20	DGCD	
Cc1ccc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)c(O)c1	877478815	QDVXFGWNUNNGIY-KRWDZBQOSA-N	323.396	3.466	10	20	DGCD	
C[C@@H](NC(=O)Nc1nnc(C(C)(C)C)s1)c1ccccc1O	878390483	QWRVRHMEXFLODY-SECBINFHSA-N	320.418	3.424	10	20	DGCD	
COc1ccc2c(c1)CC[C@H](C(=O)N(C)c1ccc(N)cc1)C2	884441256	DBNBBXROAILPRS-HNNXBMFYSA-N	310.397	3.045	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H]1CCO[C@@H]1C	771036518	LFOPQRSTCQUUPV-TZMCWYRMSA-N	305.399	3.490	10	20	DGCD	
CC(C)(C)OC(=O)NCC[C@H]1CCN(Cc2ccccc2O)C1	896984528	LEUMXGGLTOZHMJ-AWEZNQCLSA-N	320.433	3.129	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1CCCc2ccc([N+](=O)[O-])cc21	783975475	AHVPMIRDCMBOBQ-ALCCZGGFSA-N	323.352	3.291	10	20	DGCD	
COc1cccc(CNCc2c(C)nn(C(C)C)c2C)c1O	894457429	AFPWEHHRIXZUFC-UHFFFAOYSA-N	303.406	3.085	10	20	DGCD	
C[C@H](NC(=O)N1CCC=C(Cl)C1)c1ccc(N(C)C)cc1	894285099	JAHPDBFLJXQLMW-LBPRGKRZSA-N	307.825	3.352	10	20	DGCD	
CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)cc1	792703549	ZEEDYCQFOSMWDJ-UHFFFAOYSA-N	323.439	3.477	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3cc(F)ccc3o2)c(O)c1	794382605	DNYYPLPTNGTZCQ-UHFFFAOYSA-N	315.300	3.216	10	20	DGCD	
CN(c1ccc(CNC(=O)CC(C)(C)O)cc1)C1CCCCC1	792096159	IECWEWGRJWWFOT-UHFFFAOYSA-N	318.461	3.233	10	20	DGCD	
COc1ccc(CNCCCNC(=O)C2(C)CCCC2)cc1C	1163497952	PHLKNGCMVKKSKA-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)ccc1F	1319468492	YYIJLKGQDJCJIK-GHXNOFRVSA-N	309.387	3.198	10	20	DGCD	
Cc1sc(C(=O)O)cc1CN(C)c1ccc2c(c1)OCO2	1600866448	MNGYVARXOQARRT-UHFFFAOYSA-N	305.355	3.120	10	20	DGCD	
Cc1ccc(OCCN[C@H](C)c2cc(C(=O)O)ccc2O)cc1	1610510922	JUIBBVCDYKBASS-CYBMUJFWSA-N	315.369	3.128	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1C[C@@H]2CC[C@H](C1)N2	1580885545	DOPJTOHVPRRKKN-YSCVYTRNSA-N	315.244	3.319	10	20	DGCD	
C[C@H](NCc1cccc2cccnc12)c1cc(C(=O)O)ccc1O	1593303225	FOHDDHBUPYWUHJ-LBPRGKRZSA-N	322.364	3.489	10	20	DGCD	
CCN1CCCc2cc(CNCc3cccc(C(=O)O)c3)ccc21	1776875649	OITYLHRIOLADRJ-UHFFFAOYSA-N	324.424	3.447	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(C(=O)O)ccn2)cc1F	1776861288	KVCXZTSJAZXHFB-UHFFFAOYSA-N	317.364	3.377	10	20	DGCD	
CCN1CCCc2cc(CNCCC3(C(=O)O)CCC3)ccc21	1776875495	JUFKKMVLAAYJGN-UHFFFAOYSA-N	316.445	3.194	10	20	DGCD	
CN(C)CCN(Cc1ccccc1)Cc1ccc(N(C)C)cc1	19363052	GPHMDDJICSWVPT-UHFFFAOYSA-N	311.473	3.316	10	20	DGCD	
CCCn1c(C)nnc1CN(C)c1ccc(OC)c(Cl)c1	161224078	FBWSWIAMRHWVBN-UHFFFAOYSA-N	308.813	3.295	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3n[nH]c(C)n3)c2C)c1	171545640	HVBQANIEPSAYAY-UHFFFAOYSA-N	309.373	3.081	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCCCSc2nccs2)[C@@H]1C	177853148	FNMRQOJWFADWLZ-NWDGAFQWSA-N	313.492	3.455	10	20	DGCD	
Cc1ccnc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1	184088028	GHKGCGPZWGSTTI-UHFFFAOYSA-N	310.401	3.094	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1O	77613929	VXIXWFZSDLDARW-JKSUJKDBSA-N	311.381	3.129	10	20	DGCD	
C[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O	186171134	YDJCNRHQRAGTTN-GXTWGEPZSA-N	317.820	3.370	10	20	DGCD	
CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc2ccccc2c1O	188491776	UGEHWAKYIITWJS-OLZOCXBDSA-N	300.402	3.063	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)nc1	46769616	VZWSJIHXQNTBAS-UHFFFAOYSA-N	315.804	3.265	10	20	DGCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1	133917043	DVXLPIPLCJLEIO-UHFFFAOYSA-N	321.424	3.371	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)C[C@@H]1C	130414006	SQVXDMYGPLFQAJ-BBRMVZONSA-N	303.402	3.136	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1O	192927455	MNBXYAFRWKAIPN-SDBXPKJASA-N	322.257	3.218	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ncc(F)cc2F)cc1	192194154	LQVIOVLYYKSXMY-UHFFFAOYSA-N	319.355	3.136	10	20	DGCD	
CC[C@@H](NCCNC(=O)c1cccc(C)c1)c1ccccc1O	274960048	WLAMRPNXRLHYGM-QGZVFWFLSA-N	312.413	3.171	10	20	DGCD	
C[C@@H]1SCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])[C@H]1C	387761606	FRTXAECPWWMUOT-LJRGRFNSSA-N	322.386	3.023	10	20	DGCD	
CCCOc1ccc(CNCc2noc3c2CCCC3)c(O)c1	288510846	SYYBNPBZEPVFBD-UHFFFAOYSA-N	316.401	3.338	10	20	DGCD	
Cc1ccc(O)c(CNC[C@H]2CCN(c3ccccc3F)C2)c1	291027640	IGTVAKHCFKHLHO-OAHLLOKOSA-N	314.404	3.456	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1O	296402556	UUSDDFDLEDMGQK-DAXOMENPSA-N	323.820	3.151	10	20	DGCD	
CC[C@@H](NCc1ccc(CCN)cc1)c1ccc(N(C)C)cc1	817948429	JRBSUJQSPWROOA-HXUWFJFHSA-N	311.473	3.495	10	20	DGCD	
C[C@@H]1CCCN([C@H](C)CNCc2cc(Cl)c(F)cc2O)C1	816535589	UERVCOSLMZZDCS-VXGBXAGGSA-N	314.832	3.395	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[C@H](N)C1	818608040	JHGAXWWSMHZYDJ-SJORKVTESA-N	317.477	3.007	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](O)c2ccc(F)cc2)cc1Cl	825038097	QMDHGIZJOKVYHN-MRXNPFEDSA-N	309.768	3.316	10	20	DGCD	
CCOc1ccc(OC)cc1NC(=O)NCc1ccccc1O	729575419	LJTLFFXFIJNFGR-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@@H](N(C)c2ccccc2)C1	827544516	CZURLGSGTUYROR-MRXNPFEDSA-N	312.413	3.112	10	20	DGCD	
COc1ccc(OCCCOC(=O)c2cc(O)cs2)cc1	732354594	WVODCCALBDHVIM-UHFFFAOYSA-N	308.355	3.088	10	20	DGCD	
C[C@@]1(COC(=O)/C=C/c2ccc(O)c(O)c2)CC1(Cl)Cl	837588641	SQINNUYPKOUOTP-LQPUYASZSA-N	317.168	3.238	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)N1[C@@H](C)CC[C@H]1C	839621348	IWLDWEHLIMJKGV-XHSDSOJGSA-N	318.461	3.392	10	20	DGCD	
CC/C=C/CNC(=O)NCc1cc(Cl)cc(Cl)c1O	836571347	DFBSBGLFOORGCR-ONEGZZNKSA-N	303.189	3.464	10	20	DGCD	
CC1(C)CN(C(=O)c2c[nH]nc2-c2cccnc2)c2ccccc21	675148397	PHWQHCUGJWOLBE-UHFFFAOYSA-N	318.380	3.410	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCC(N)(CC)CC	841951140	FLLBZZUTQODUDR-UHFFFAOYSA-N	321.465	3.221	10	20	DGCD	
C[C@H](COCC1CCCCC1)NC(=O)Nc1ccc(N)cc1	926141936	FVPDQPAUGLPCDH-CYBMUJFWSA-N	305.422	3.376	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](C(C)C)N2CCOCC2)c(O)c1C	756366929	JUANYQXQYQYYDI-WMZOPIPTSA-N	320.477	3.016	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@@H]2CCN(C3CC3)C2)c2c(O)ccc(F)c21	756402615	VXDCMCHNEQGYNF-TYNCELHUSA-N	304.409	3.154	10	20	DGCD	
CCN(CCN[C@H](C)c1ccccc1O)CCC(F)(F)F	756049875	LBXRQEMYRHKNQB-GFCCVEGCSA-N	304.356	3.317	10	20	DGCD	
C[C@@H](NCCN(C)c1ccccc1)c1cc([N+](=O)[O-])ccc1O	756381973	PNBVFKKUXZIPEE-CYBMUJFWSA-N	315.373	3.087	10	20	DGCD	
CC[C@]1(NCc2cc(OC)cc(C(C)(C)C)c2O)CCOC1	850275113	QBMJYASROCKMRC-SFHVURJKSA-N	307.434	3.357	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1C1CCCCC1)[C@@H](O)CO2	768442519	KWXKAVIJKKJURL-WMZOPIPTSA-N	317.429	3.363	10	20	DGCD	
Cc1ccc(OCCCC(=O)NCc2cc(C)ccc2O)cc1	862761778	XMHGVWSANASEDH-UHFFFAOYSA-N	313.397	3.484	10	20	DGCD	
CC(=O)N1CCc2c(NCc3cc(F)ccc3O)cccc21	769556993	NZZCEIZOOUMYRS-UHFFFAOYSA-N	300.333	3.052	10	20	DGCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H](C)N(C2CCC2)C1=O	761576050	AEJSFJRZHLGZTJ-CHWSQXEVSA-N	315.417	3.019	10	20	DGCD	
COc1c(Cl)cc(Cl)cc1/C=C1/SC(=O)NC1=O	874929006	ZLEWUGHWDMPQLC-FPYGCLRLSA-N	304.154	3.326	10	20	DGCD	
CCOC(=O)CCN(Cc1cc(Cl)cc(F)c1O)C1CC1	775662302	DQSACMVSTCYDJL-UHFFFAOYSA-N	315.772	3.102	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CC2)cc1	1115881567	XWWTZFUVRUDHSV-UHFFFAOYSA-N	313.401	3.220	10	20	DGCD	
C[C@H](N[C@@H](CCO)C(F)(F)F)c1cc2c(cc1O)CCCC2	886801622	PXAIGEHCZBYTBS-BONVTDFDSA-N	317.351	3.235	10	20	DGCD	
CCn1cccc(CN[C@H](C)c2ccc(C)c(C)c2O)c1=O	788605210	NBDLJFKWMSGYCO-CQSZACIVSA-N	300.402	3.041	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CC(=O)c2ccccc21)c1ccc(N(C)C)cc1	789665183	BABPTTDTBJSSCK-UGSOOPFHSA-N	322.408	3.300	10	20	DGCD	
CCCCn1ncc(NCc2ccc(OC)c(OC)c2O)c1C	893295606	PXQKPIODJDDVEJ-UHFFFAOYSA-N	319.405	3.327	10	20	DGCD	
Cc1cccc(CN2CCC[C@@H](Oc3ncccc3F)C2)c1O	787288726	BKIMKDJDMBQHLI-OAHLLOKOSA-N	316.376	3.278	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1C[C@H](O)Cc2ccccc21	789761522	IHRARDZOVMEBGL-LLVKDONJSA-N	307.752	3.108	10	20	DGCD	
Cn1ncc(CNCCCSc2nccs2)c1C1CC1	893045789	XSUHWKPWNULTCJ-UHFFFAOYSA-N	308.476	3.026	10	20	DGCD	
O=C(C[C@H]1CCCOC1)NCc1ccc(N2CCCCC2)cc1	793243826	YHOAPVLQXLGZSY-QGZVFWFLSA-N	316.445	3.110	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1c[nH]c2cccnc12	791218659	JVNDKRGUSZCORZ-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
CSCCCN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	798460403	VMLNYZYSIGGZJF-ZDUSSCGKSA-N	309.479	3.208	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1Cc2ccccc2NC1=O	1329755009	PGSHFRLEBQCVIZ-KCXAZCMYSA-N	322.408	3.402	10	20	DGCD	
CN(C(=O)NCc1ccc(N)cc1)[C@H]1CCCc2ccccc21	1335730146	JWOWDTWJUJXICC-SFHVURJKSA-N	309.413	3.488	10	20	DGCD	
CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)NCc1ccc(N)cc1	1337018326	KDDCLLPEEIOFLQ-HZPDHXFCSA-N	319.449	3.004	10	20	DGCD	
O=C(NCCCC(F)F)NCc1ccc(N2CCCC2)cc1	1343096997	DQZWCPGXQGUIJJ-UHFFFAOYSA-N	311.376	3.131	10	20	DGCD	
COc1ccc(CN2CC[C@H]3CCCC[C@H]3C2)c(O)c1OC	1351948525	MWYCGVVEMFCRQO-KGLIPLIRSA-N	305.418	3.422	10	20	DGCD	
CN(CCC(F)(F)F)Cc1ccc(N2CCC(O)CC2)cc1	1352836767	PNVPVCSEQLXJGS-UHFFFAOYSA-N	316.367	3.032	10	20	DGCD	
N[C@@H]1CC=C(C(=O)N2CCCc3c(Cl)cc(Cl)cc32)C1	1580171525	REZIDCOGKVCELF-LLVKDONJSA-N	311.212	3.320	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CC(C)(F)F)C(=O)O)cc1	1776860275	NRSLOONNKGEBAY-AWEZNQCLSA-N	314.376	3.121	10	20	DGCD	
CCCCN(C)Cc1cc(Br)cc(OC)c1O	158151149	WGHUMUSZOYTXNQ-UHFFFAOYSA-N	302.212	3.395	10	20	DGCD	
CC[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1	154609254	SDWWCKIJCZCXPR-GFCCVEGCSA-N	313.492	3.457	10	20	DGCD	
CN(C(=O)c1ccc(Br)cc1O)c1ccc(N)cc1	44483338	RXOUCNDETMJUTR-UHFFFAOYSA-N	321.174	3.014	10	20	DGCD	
CN1CCCc2cc(CNCc3ncc(Cl)s3)ccc21	719445076	YOVDLCGKNHNICE-UHFFFAOYSA-N	307.850	3.469	10	20	DGCD	
Cc1cccc(C)c1NC(=S)NNc1ccc(C(=O)O)cc1	7521974	HAQJTGNWFCDGOV-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
CCCN(CC1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1	57646556	KLPQDDDFYSOOAX-UHFFFAOYSA-N	307.413	3.223	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)c1ccccc1C(F)(F)F	20302088	ADXPXMWYZKAGFM-UHFFFAOYSA-N	317.288	3.212	10	20	DGCD	
COc1ccc(C)cc1[C@@H](C)NCc1cc([N+](=O)[O-])ccc1O	120100715	FWYKHGVEVPRXNV-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@H](C)c1ccc2ccccc2c1O	185511481	XSAADLYQDJGYHD-XHBSWPGZSA-N	305.443	3.308	10	20	DGCD	
CC1CCC(O)(CNCc2ccc(N3CCCC3)cc2)CC1	316056175	OQEFKYDRSBQDPQ-UHFFFAOYSA-N	302.462	3.318	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC=CCC2)cc1	77571758	KQLOCMJAWBYCIO-MRXNPFEDSA-N	301.434	3.441	10	20	DGCD	
Cc1ccc(C(C)(C)CN(C)C(=O)c2cccc(O)c2O)cc1	193101413	VMRVNYOJBBSIML-UHFFFAOYSA-N	313.397	3.456	10	20	DGCD	
C[C@@H]1CCC[C@@](CNCc2ccc3c(c2)CCO3)(N(C)C)C1	237513206	MZGNJJGDOXKLQM-DNVCBOLYSA-N	302.462	3.222	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCO[C@@H](C)C2)cc1F	271970065	IDCJXUIFILNOIZ-DZGCQCFKSA-N	322.424	3.103	10	20	DGCD	
CCC[C@@H](CNC(=O)NCc1c(C)c2ccccc2n1C)OC	454877473	QUWXCFLWNYRGDQ-AWEZNQCLSA-N	317.433	3.101	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)CCCO	271637348	FHPZYCFWQGSAFC-UHFFFAOYSA-N	322.449	3.113	10	20	DGCD	
CC[C@H](N[C@H](CCO)COC)c1cc(Cl)cc(Cl)c1O	287281822	BMOZJFBDIMEDOU-MFKMUULPSA-N	322.232	3.137	10	20	DGCD	
CCOc1cccc(CN[C@H]2CCCC23CCOCC3)c1O	282660310	LVMWIVFKCQBXTJ-INIZCTEOSA-N	305.418	3.230	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)[C@H](C)c1ccccc1	819077413	KOTWEOSPVACVGL-OXQOHEQNSA-N	312.457	3.315	10	20	DGCD	
CC(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1O	816890377	INSLTCPEAGMJRE-UHFFFAOYSA-N	324.380	3.447	10	20	DGCD	
CCCN1CCC(N(C)Cc2ccc(N(C)C)c(C)c2)CC1	815057577	UOPHLLSBOLXJAF-UHFFFAOYSA-N	303.494	3.367	10	20	DGCD	
CN1C[C@@H]2CCCN(Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1	822520689	LWBILBVCBPPNMP-AZUAARDMSA-N	313.489	3.203	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1	825112247	SBWOMBOFXNDGJA-HUUCEWRRSA-N	324.424	3.157	10	20	DGCD	
Cc1ccccc1C[C@H]1CCCN1C(=O)Cc1ccc(N)cc1	829660803	FHFCYSXNOCALPB-LJQANCHMSA-N	308.425	3.353	10	20	DGCD	
CCOC(=O)CN(Cc1csc(C)c1)Cc1ccccc1O	822511848	NSWVSYUBPDNZFO-UHFFFAOYSA-N	319.426	3.327	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1Cl	824769685	XXRCXJJOJYCTHE-AAEUAGOBSA-N	323.742	3.242	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(Cl)c[nH]1	839916214	PXORTKKXXLATEV-LBPRGKRZSA-N	319.836	3.404	10	20	DGCD	
CN(C)c1ccc(CNC(=S)NC(C2CC2)C2CC2)cc1F	734758633	SLSNEVXNKCRXRI-UHFFFAOYSA-N	321.465	3.044	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ncccc1C	839920094	KQAIDAFSZAFDRY-HNNXBMFYSA-N	311.429	3.125	10	20	DGCD	
CC(C)C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	745788968	WXHGZTWVFKEKIT-UHFFFAOYSA-N	321.440	3.469	10	20	DGCD	
C[C@H](N[C@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1	840854626	FEZYYYNIMIGWMM-VNHYZAJKSA-N	324.465	3.207	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1csc(C2CC2)n1	846471890	CMDVORDKBJSSCE-UHFFFAOYSA-N	308.790	3.310	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1C[C@H]1c1cccc(F)c1F	743328809	VPUMGGMPOSLVIV-QWHCGFSZSA-N	303.308	3.090	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2CCCN3CCCC[C@H]23)c1O	848927799	NUFZOEKVJKYSIN-HUUCEWRRSA-N	324.852	3.161	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@@H]1C	840714893	NHBXMZJTJHEHEO-QRTARXTBSA-N	306.425	3.187	10	20	DGCD	
COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)c(F)c1	844275138	RJULRSWBQGNOKI-NTEUORMPSA-N	320.389	3.291	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCCC[C@H]1F	840306352	XCBNFOUWTPLJLG-IAGOWNOFSA-N	317.408	3.143	10	20	DGCD	
OC[C@@H](CNCc1c(O)cccc1Cl)c1ccc(F)cc1	840963495	OOFWPCNPYRBMGU-GFCCVEGCSA-N	309.768	3.050	10	20	DGCD	
Cc1ccc([C@H](C)NCCCN2C[C@H](C)O[C@H](C)C2)c(O)c1C	756365515	ASGZRZSYYAFZNM-UXLLHSPISA-N	320.477	3.159	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H]2CCN(CC3CC3)C2)c2c(O)ccc(F)c21	756554290	ORSBCTBJVGACRU-OSAQELSMSA-N	304.409	3.154	10	20	DGCD	
O=C(OCc1ncccc1C(F)(F)F)c1cc(O)cs1	758459841	DMUVLAVVVUMUDB-UHFFFAOYSA-N	303.261	3.225	10	20	DGCD	
CC[C@@H](O)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	855743424	FAAFTCOFWHKPGI-OAHLLOKOSA-N	320.820	3.248	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCc2ccc(C)cc2)c1	756710480	CPPQWOYNPZBCSI-AWEZNQCLSA-N	313.397	3.381	10	20	DGCD	
CCN(C)c1ccc(CN[C@](C)(COC)C(F)(F)F)cc1	852719264	XYWPYSPSJMQPDN-CQSZACIVSA-N	304.356	3.200	10	20	DGCD	
Cc1cc(C)n(CCCNCc2cc(F)c(N(C)C)cc2F)n1	858086973	HGDVUNGVQXMJBE-UHFFFAOYSA-N	322.403	3.024	10	20	DGCD	
CCSc1ccc(CC(=O)NCc2ccccc2O)cc1	752130204	QVVVBFIENISDMN-UHFFFAOYSA-N	301.411	3.363	10	20	DGCD	
C/C=C/C=C\C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751305999	NSDREJLQBMLBKT-ICKRUQPGSA-N	304.353	3.467	10	20	DGCD	
CCC[C@@H](C)N(C)C(=O)NCCCSc1nccs1	759602533	WUIOHHCPGXWPBB-LLVKDONJSA-N	301.481	3.455	10	20	DGCD	
COc1ccc(N2CCC(NCCCc3ccco3)CC2)cc1	850408018	VGVLSMISDCOMIQ-UHFFFAOYSA-N	314.429	3.479	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2ccc(CN3CCCC3)cc2)c1	862756089	PVBGYBZCRTUHNN-UHFFFAOYSA-N	324.424	3.226	10	20	DGCD	
Cc1cc(CNC[C@H](O)c2ccccn2)c(C)n1-c1ccccc1	863583543	ZIKGCQWXJNCMEC-FQEVSTJZSA-N	321.424	3.312	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1cccnc1Cl	866598995	XGKGMYKSIIPCLS-UHFFFAOYSA-N	318.804	3.422	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1	768913120	FNZKBBRRKADQDI-OAGGEKHMSA-N	318.461	3.238	10	20	DGCD	
CCOc1ccc(CN2CCOC[C@@H]2c2ccc(C)o2)c(O)c1	769447242	XFNAXWQGOQXKBH-MRXNPFEDSA-N	317.385	3.266	10	20	DGCD	
CCOc1ccc(N(C)CC2CN(C(=O)OC(C)(C)C)C2)cc1	779477308	AQAOQSZJOBXCRX-UHFFFAOYSA-N	320.433	3.388	10	20	DGCD	
Cc1cccc(O)c1CN[C@@H](C)C[C@@H](O)c1ccc(F)cc1	877128382	GOHRIUMDNUDBGV-SCLBCKFNSA-N	303.377	3.442	10	20	DGCD	
COC(=O)CCC1CCN(Cc2cccc(Cl)c2O)CC1	775694683	OBWWBSLELJNPDH-UHFFFAOYSA-N	311.809	3.211	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2C2CCOCC2)c(O)cc1C	776771822	LCSPSLMHCXHFHN-MRXNPFEDSA-N	305.418	3.100	10	20	DGCD	
CCC(CC)[C@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)OC	779535973	GHGOJVLBGUQDIK-KMDWOBIYSA-N	321.417	3.069	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NOC1CCCCC1	777715259	VTYGQGBYAMMDGU-UHFFFAOYSA-N	305.422	3.125	10	20	DGCD	
C[C@H](N[C@H](CO)C[C@@H]1CCCO1)c1ccc2ccccc2c1O	886669862	FVKXRYBHWVHPAB-BPUTZDHNSA-N	315.413	3.126	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCOC2(CCC2)C1	895485518	WFVXVYIHEUMEKE-MRXNPFEDSA-N	316.445	3.060	10	20	DGCD	
COc1cc(CNCc2ccc(OC)c(OC)c2O)ccc1C	892696413	IPJMOMRZAKVMSY-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCSC2)c(C(F)(F)F)c1	793002547	AKPFTGVAUDPQDJ-NSHDSACASA-N	304.381	3.367	10	20	DGCD	
CCC(CC)(CC)C(=O)NCCNCc1ccc(OC)c(C)c1	1135831959	ZOELVKZXVCJCTQ-UHFFFAOYSA-N	320.477	3.426	10	20	DGCD	
COc1ccc(CNC(=O)NC2CCC(C(C)C)CC2)c(O)c1	793002635	AXSFGULNQBMFGP-UHFFFAOYSA-N	320.433	3.415	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(C)c(Cl)c2)c(O)c1	794389690	CIAAYUPFQMDQSX-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
Cc1cc(O)c(CNc2cn(Cc3ccccc3)nn2)cc1C	795805495	HHTJIFTWFBKFAV-UHFFFAOYSA-N	308.385	3.261	10	20	DGCD	
COc1cc(C)cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1O	1319468418	XOEUNVSRJNSKBA-UHFFFAOYSA-N	314.341	3.133	10	20	DGCD	
COc1cc(O)c(CN(C)[C@@H]2CC[C@H](SC)C2)cc1OC	1319798293	GYOZZKCQPPTATP-OLZOCXBDSA-N	311.447	3.125	10	20	DGCD	
CN(C)[C@H]1CCCC[C@@H]1NCc1cc(Cl)cc(F)c1O	1320640532	SJSVFOCVXOSFKO-KBPBESRZSA-N	300.805	3.147	10	20	DGCD	
CCCC[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC	1338340355	IWOJYUFKEPLWEB-QGZVFWFLSA-N	304.434	3.108	10	20	DGCD	
CC[C@@H](C)n1nccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1338971587	UGEIQRIWDJAAES-KGLIPLIRSA-N	314.433	3.411	10	20	DGCD	
COC(=O)c1cnc(N[C@@H](C)c2ccc(N(C)C)cc2)s1	1336747604	LIWDHIQQJAACPG-JTQLQIEISA-N	305.403	3.169	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)c4ncccn4)ccc31)CCCC2	1348303175	KBHACUSKBUHJEC-UHFFFAOYSA-N	307.353	3.066	10	20	DGCD	
CN(C)c1ccc(CCNCc2c(O)cccc2Cl)cc1	1341793029	IEMWHBUPROAVRF-UHFFFAOYSA-N	304.821	3.444	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CC[C@H](C)[C@@H](C)C1	1352321154	NSWHWSYHAKSQFU-QWRGUYRKSA-N	306.435	3.214	10	20	DGCD	
C[C@H](N[C@@H](C(=O)O)c1ccsc1)c1ccc(N(C)C)cc1	1609778273	YKHCGBQDGBZDPJ-XHDPSFHLSA-N	304.415	3.291	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@@]2(C)CCCC[C@@H]2C(=O)O)c1O	1607656256	VENDQLOVKYZSHF-CJNGLKHVSA-N	311.809	3.477	10	20	DGCD	
CC1(C)CNCC[C@H](NCc2cc(Cl)c(F)cc2O)C1	1576480751	NZXSTEONNHEHST-NSHDSACASA-N	300.805	3.053	10	20	DGCD	
CC(C)=CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	55530409	PWFHZTPOSSSQCJ-OKILXGFUSA-N	320.408	3.022	10	20	DGCD	
CCc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1	186419263	ZWBOOTJFQFJZCO-JTQLQIEISA-N	305.399	3.083	10	20	DGCD	
C[C@H](c1ccccc1F)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	180633944	OZXKCLTYDYBWQV-ZJNQMXKESA-N	315.344	3.470	10	20	DGCD	
CN(CCc1nc(-c2ccccc2)no1)Cc1ccccc1O	77284323	HAALCIBMJYEFNO-UHFFFAOYSA-N	309.369	3.117	10	20	DGCD	
CN(C)C(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1	36955109	MOYUBOGTVURFQO-UHFFFAOYSA-N	304.777	3.360	10	20	DGCD	
Cc1cc(Br)cc(CN(C)Cc2cccnc2)c1O	182035193	UJFDWRSTUCXWQN-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](OC)c2ccccc2)c1	185101891	JBWVEXFXVSRCKB-SCLBCKFNSA-N	301.386	3.439	10	20	DGCD	
CC(C)[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	130127726	HXZKOTORLUCGBD-SFHVURJKSA-N	313.397	3.196	10	20	DGCD	
CCc1nsc(NC2CCN(c3ccc(OC)cc3)CC2)n1	80787291	ZZLDLOSGFLHDPC-UHFFFAOYSA-N	318.446	3.190	10	20	DGCD	
Cc1cc(C(=O)NC[C@@H](C)CN)c(C)n1-c1ccc(Cl)cc1	237382839	BTZRDBAFNYMUID-NSHDSACASA-N	319.836	3.072	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@]2(C)CCO[C@H]2C2CC2)c1	364068498	SQHBRQOVTNJMOE-ROUUACIJSA-N	305.418	3.086	10	20	DGCD	
COCC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccco1	273412442	IAMJDBMOPVHNPS-DOMZBBRYSA-N	305.374	3.422	10	20	DGCD	
C[C@H](N[C@H](C)CC[S@](C)=O)c1ccc(N2CCCCC2)cc1	271534981	SLKVFRGTBFXOKU-VVBPWWLESA-N	322.518	3.485	10	20	DGCD	
Cc1c(/C=C/C(=O)N(CC(F)F)c2ccccc2)cnn1C	270335459	KFXNIOHLAGGFKP-CMDGGOBGSA-N	305.328	3.040	10	20	DGCD	
CC[C@@H](NCCCN1CCCO[C@@H](C)C1)c1ccc(C)cc1O	280233408	VKSXAKOCNDAMPZ-FUHWJXTLSA-N	320.477	3.242	10	20	DGCD	
C[C@@H](NCC(C)(C)OCCO)c1ccc(Cl)c(Cl)c1O	287423184	SKLPDLMGCNQLGQ-SECBINFHSA-N	322.232	3.137	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cccnc1	806211776	HGFNXVPGCLFGRW-UHFFFAOYSA-N	312.156	3.416	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2[C@@H]3c4ccccc4C[C@H]32)c1O	290347216	FWECSNNYSJKZMH-DJIMGWMZSA-N	315.800	3.482	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@H]2C2CC2)cc1F	812017871	KTGILLJBGJUOKU-MRXNPFEDSA-N	319.424	3.222	10	20	DGCD	
CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819592024	ZYXXZAVWGUFOIT-IIDMSEBBSA-N	316.445	3.074	10	20	DGCD	
CC(C)(C)CN(CCCO)Cc1cc(Cl)c(F)cc1O	816505496	YKBCKZQULUQBFA-UHFFFAOYSA-N	303.805	3.415	10	20	DGCD	
C[C@H](NCc1nc(C(C)(C)C)n[nH]1)c1ccc(N(C)C)cc1	814632007	VPKNUUHEOUJFCL-LBPRGKRZSA-N	301.438	3.019	10	20	DGCD	
C[C@H](NCC(F)(F)CN)c1ccc(N2CCCCC2)c(F)c1	817966361	MCWLYIOQSFCQJB-LBPRGKRZSA-N	315.383	3.061	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2ccc3c(c2)CCN3)c1	817950663	WAPMCLWPRJZNDO-NSHDSACASA-N	312.369	3.320	10	20	DGCD	
COc1cccc(CN(C)Cc2ncc(-c3ccccc3)[nH]2)c1O	813331911	NLIFWNPXEHEKGC-UHFFFAOYSA-N	323.396	3.423	10	20	DGCD	
CN(C)c1ccc(CNCCCCCN2CCCC2)cc1F	815151009	IRCKQYOXYFJACJ-UHFFFAOYSA-N	307.457	3.247	10	20	DGCD	
Cc1cc(O)c(CNC[C@]2(O)CCc3ccccc32)cc1Cl	825370056	IMMOKJGYMRWZGV-GOSISDBHSA-N	317.816	3.278	10	20	DGCD	
CCOc1ccc(CNC[C@](C)(OC)c2ccccc2)c(O)c1	824780458	PUODJRWSEVQDFF-IBGZPJMESA-N	315.413	3.442	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c([nH]2)CCCC3)c1	825736774	JKDMZAZYOVGCDA-LLVKDONJSA-N	314.385	3.099	10	20	DGCD	
CC(C)[C@@H](CO)NCc1ccc(N(C)Cc2cccs2)cc1	823966408	NKFUDALBSKJGSY-GOSISDBHSA-N	318.486	3.491	10	20	DGCD	
CC(C)SCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	735517784	OJNTXZVBUZTGHO-HNNXBMFYSA-N	323.458	3.041	10	20	DGCD	
CC(C)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	731049861	SJSRPXMULZIXEO-UHFFFAOYSA-N	303.450	3.378	10	20	DGCD	
Cn1c(COC(=O)c2cc(O)cs2)nc2cc(Cl)ccc21	732353718	SPWCZRJAMSUEGK-UHFFFAOYSA-N	322.773	3.351	10	20	DGCD	
Oc1cccc2c1[C@@H](N[C@@H]1COc3cc(F)cc(F)c31)CC2	834765539	NGBQWEKNWCNXGI-QWHCGFSZSA-N	303.308	3.381	10	20	DGCD	
C[C@@H](NCCC1CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1O	834910314	WJAABRZIYSXJCL-SECBINFHSA-N	300.305	3.386	10	20	DGCD	
COc1ccc(O)c(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c1	839192782	TUJZQTCYVGOGHR-CVEARBPZSA-N	307.434	3.473	10	20	DGCD	
Cc1nnc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)o1	918629909	ZLAHJAJVHDELNS-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](c2ccnn2C)C(C)C)c1O	846165003	KASKISLKKWKYAA-UKRRQHHQSA-N	317.433	3.225	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)C[C@]1(O)CCc2ccccc21	843422499	WPOXBHNLYFPELT-GOSISDBHSA-N	317.816	3.311	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(OC)cs1	746839362	WUMQCACTSKRUDR-UHFFFAOYSA-N	318.442	3.485	10	20	DGCD	
Nc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1	841301193	FKLJNXDVVSYGRB-SJORKVTESA-N	311.385	3.311	10	20	DGCD	
Cc1ccccc1C[C@@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	841041752	BHCCLTBHSFSHTQ-OXQOHEQNSA-N	311.473	3.282	10	20	DGCD	
O=[N+]([O-])c1cc(CN[C@H]2CCSC2)ccc1N1CCCCC1	742383015	RMCHUAJPGXMEAH-AWEZNQCLSA-N	321.446	3.180	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)C[C@@H](O)c1ccco1	840937663	VSTACABXLUCFPK-RHSMWYFYSA-N	302.418	3.256	10	20	DGCD	
CN[C@@H](C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	848427388	LJFJQXUNACFGBO-LSDHHAIUSA-N	312.413	3.090	10	20	DGCD	
Cc1cc(C(=O)OCCOC2CCC2)c(C)n1-c1ccccn1	750770385	HGPVDAWSXFZEEF-UHFFFAOYSA-N	314.385	3.215	10	20	DGCD	
CCc1csc(N2CCCN(c3ccc(OC)cc3)CC2)n1	756961049	FMSNDOIBIDMFDC-UHFFFAOYSA-N	317.458	3.431	10	20	DGCD	
COc1cc(CNC[C@H](C)C[C@H](C)O)c(O)c(C(C)(C)C)c1	850153123	AJWPYVDRQUSLLA-OLZOCXBDSA-N	309.450	3.195	10	20	DGCD	
COC1(CNC(=O)NCc2cc(C)ccc2O)CCC(C)CC1	858412525	MVPVDZIUPQFQDF-UHFFFAOYSA-N	320.433	3.095	10	20	DGCD	
C[C@H](NC[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O	697891558	ZAIHLIVYAPNTIU-OLZOCXBDSA-N	308.422	3.204	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c1	862757047	FKCUCQIDPRLZDP-ZDUSSCGKSA-N	313.401	3.107	10	20	DGCD	
CC[C@@H](CC(F)(F)F)NC(=O)N(C)Cc1ccccc1O	761035451	HLZGGEQGTDEBHD-NSHDSACASA-N	304.312	3.265	10	20	DGCD	
CCN(CC)c1ccc(CN2CCO[C@H](C(F)(F)F)C2)cc1	769466389	MSMUIYBWJSRGHK-HNNXBMFYSA-N	316.367	3.296	10	20	DGCD	
O=C(CC1CCSCC1)NCc1ccc(N2CCCC2)cc1	761926100	DKOUBXXFCPTGIE-UHFFFAOYSA-N	318.486	3.436	10	20	DGCD	
CC(C)[C@H]1C(=O)NCCN1Cc1cc(-c2ccccc2)ccc1O	769328568	RBHKGHHGZRJYDO-IBGZPJMESA-N	324.424	3.016	10	20	DGCD	
COc1cc2c(cc1NCc1ccc(C)cc1O)NC(=O)CC2	877383166	WRYRRTBSFOAJND-UHFFFAOYSA-N	312.369	3.206	10	20	DGCD	
C[C@@H](NC(=O)Cc1cccc(F)c1F)c1ccc(N(C)C)cc1	773014935	NQQIZLATKLTWTF-GFCCVEGCSA-N	318.367	3.451	10	20	DGCD	
Cc1ccc(CNC[C@H](O)c2ccc(Cl)c(F)c2)c(O)c1	877128176	DXGFTOVBCLNHPM-INIZCTEOSA-N	309.768	3.316	10	20	DGCD	
CCC[C@@H](C)CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773087199	GYEGWNPEGCMEGA-ZIAGYGMSSA-N	312.479	3.169	10	20	DGCD	
CC(=O)OCCCc1cccc(NC(=O)c2cc(O)cs2)c1	776203968	KSHZUQSDDBVPOV-UHFFFAOYSA-N	319.382	3.202	10	20	DGCD	
CCCN(Cc1c(O)cccc1OC)c1ccc(CN)cc1	775141141	XMSJGIMNASMCDD-UHFFFAOYSA-N	300.402	3.276	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc[nH]1	773115858	AITPMOKSFVZDHK-KGLIPLIRSA-N	317.408	3.402	10	20	DGCD	
CCN(C)c1ccc(CN2CCc3ccc(O)cc3CC2)cc1	773773463	RVWBUNBKVPKWBH-UHFFFAOYSA-N	310.441	3.449	10	20	DGCD	
O=S(=O)(/C=C\c1ccccc1Cl)Nc1ccc(O)cc1	776744160	FKUDKQDTEQDTFK-KTKRTIGZSA-N	309.774	3.458	10	20	DGCD	
COc1ccc(OC)c(CCNCc2cc(F)cc(F)c2O)c1	882932012	XZDBFAGUIVFZKT-UHFFFAOYSA-N	323.339	3.020	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)c1O	774942248	JQIYAZAPKKPDJC-NQBHXWOUSA-N	308.378	3.223	10	20	DGCD	
O=C(N[C@@H]1CCSc2ccccc21)c1c(F)ccc(O)c1O	789944661	VJUOLNIKMJFCLF-LLVKDONJSA-N	319.357	3.204	10	20	DGCD	
COc1cccc(CNc2cccc3c2OCC[C@@H]3OC)c1O	790485701	JBTXGXPIYRYFAU-HNNXBMFYSA-N	315.369	3.483	10	20	DGCD	
COc1ccc(CNCc2cccc3c2OC(C)(C)C3)c(O)c1	793387334	DKAOOHIGDVZYDZ-UHFFFAOYSA-N	313.397	3.404	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(F)c(F)c2)c(O)c1	794762230	OVJWBOGABASRLS-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
CCOc1ccccc1NC(=O)NCc1ccc(OC)cc1O	797607725	OFJHVUDVUKMHSJ-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
Cc1ccc([C@H](C)NCc2n[nH]cc2Br)c(O)c1	718127174	VCBPAFIGHRZOCQ-VIFPVBQESA-N	310.195	3.037	10	20	DGCD	
CN(C)c1ccnc(NCc2cc(F)c(N(C)C)cc2F)c1	1331693124	IEZMHOYUHZGEKQ-UHFFFAOYSA-N	306.360	3.104	10	20	DGCD	
COc1cccc(CNC2(CCC(=O)O)CCCCC2)c1O	1607322936	QSEYNOMXUUGURJ-UHFFFAOYSA-N	307.390	3.058	10	20	DGCD	
Cc1ccc(O)c(CN2CCc3c(F)ccc(C(=O)O)c3C2)c1	1600464461	CCTPCCMBRXXGTB-UHFFFAOYSA-N	315.344	3.096	10	20	DGCD	
COc1cc(CNC[C@@]2(C)CCCNC2)c(O)c(C(C)(C)C)c1	1579152730	FCHARAFHHQQUSC-IBGZPJMESA-N	320.477	3.178	10	20	DGCD	
CCOc1ccc(CN(C)C2(C(=O)O)CCCCC2)c(O)c1	1597100370	ICQKQXSJOYLSRS-UHFFFAOYSA-N	307.390	3.010	10	20	DGCD	
Cc1ccccc1[C@H](CC(=O)O)NCc1cc(F)cc(F)c1O	1777467009	NNURGOLMHFWLGF-HNNXBMFYSA-N	321.323	3.284	10	20	DGCD	
CCOc1ccc(N(C)Cc2cc(=O)n3cccc(C)c3n2)cc1	150730546	FKSKYZOEYJSRBY-UHFFFAOYSA-N	323.396	3.038	10	20	DGCD	
COc1ccc(-c2nnc(NCc3ccc(N(C)C)cc3)o2)cc1	161926349	ZPFFSGMFOCWXFR-UHFFFAOYSA-N	324.384	3.423	10	20	DGCD	
CSCCCCC(=O)NCc1ccc2c(c1)CCCN2C	151046271	HYYOYGLMGSTJDK-UHFFFAOYSA-N	306.475	3.219	10	20	DGCD	
CC[C@H]1CN(Cc2cccc(Br)c2O)[C@@H](C)CO1	403745181	AETAPEVMLNNXNQ-JQWIXIFHSA-N	314.223	3.154	10	20	DGCD	
C[C@@H](CCCO)NCc1cc(Cl)cc(Br)c1O	708098607	LEPSERXOIVJVOK-QMMMGPOBSA-N	322.630	3.059	10	20	DGCD	
CN(CC(=O)OC(C)(C)C)Cc1ccc(N2CCCCC2)cc1	57626104	UKLRSRSSMDRYPO-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
CN(CCC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1	179070234	QHEMVXMWIVBQBW-UHFFFAOYSA-N	301.434	3.228	10	20	DGCD	
CC(C)[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCS1	173307421	GNHRFBVXVGRRCB-INIZCTEOSA-N	321.490	3.036	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O	186171153	YDJCNRHQRAGTTN-TZMCWYRMSA-N	317.820	3.370	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@H](N2CCCC2)CC1	180363377	GYZIBCBBCWZYOV-HNNXBMFYSA-N	308.853	3.496	10	20	DGCD	
Cc1cc(CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)no1	75645790	VOABIIJJZWTCII-UHFFFAOYSA-N	324.384	3.058	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1OCCc2ccccc21	127729592	KBHATLMFKOQPTI-IBGZPJMESA-N	324.424	3.025	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1	186355017	WZEHTVZGWQUYOY-ZUXXIDCJSA-N	317.429	3.399	10	20	DGCD	
Cc1ccc([C@H](C)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c(O)c1	184912723	WPFRTMZGJNHFHX-OAGGEKHMSA-N	320.477	3.239	10	20	DGCD	
CCOC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1	194746281	LJBCXMBNIBYGFF-GOSISDBHSA-N	311.381	3.016	10	20	DGCD	
C[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1O	191183610	ACXLZIHDMWEBJO-ZWNOBZJWSA-N	310.344	3.217	10	20	DGCD	
C[C@H]1CN(C(C)(C)CN[C@H](C)c2cc(F)ccc2O)C[C@@H](C)O1	248487060	FWZQUXSFTPKREJ-HZSPNIEDSA-N	324.440	3.070	10	20	DGCD	
CCn1nncc1CN[C@H](C)c1cc(Cl)c(Cl)cc1O	527917255	SLADISDCXIKBIB-MRVPVSSYSA-N	315.204	3.161	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ncc(F)cc1F	277203309	WZQXWUZANHHHAZ-UHFFFAOYSA-N	306.312	3.118	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccncc1	273588298	OKANEGXOUXJABF-NHYWBVRUSA-N	301.346	3.497	10	20	DGCD	
C[C@H](NCC1([S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1O	282220519	HYEIPHBZNAWEJH-RLBGWGEZSA-N	322.257	3.261	10	20	DGCD	
CC(=O)C(=O)CSc1nc2ccccc2n1CCC(C)C	289530340	DTPHTXUMZXSYOZ-UHFFFAOYSA-N	304.415	3.333	10	20	DGCD	
CCCCN(Cc1ccccc1O)c1cc(COC)ncn1	800887314	OVCVLYZAHMBYDM-UHFFFAOYSA-N	301.390	3.135	10	20	DGCD	
CCN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H](C)CO	293734433	VBVQFELMWBGRCJ-HNNXBMFYSA-N	315.413	3.174	10	20	DGCD	
CCOCC(C)(C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	293778945	BLRJEXTWCSZAFZ-UHFFFAOYSA-N	315.417	3.034	10	20	DGCD	
CCOc1cccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O	290997439	APVCVKMNYHFJHF-DOTOQJQBSA-N	305.418	3.180	10	20	DGCD	
CCOc1cccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c1O	293515013	ANDNJVWPGDDUGR-SFHVURJKSA-N	317.429	3.182	10	20	DGCD	
Cc1cc(CN2C[C@H](N3CCCC3)C[C@H]2C)ccc1N(C)C	815118520	WLGSIQPCIATWAS-SJLPKXTDSA-N	301.478	3.120	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](O)CC2)c(C(F)(F)F)c1	816667629	RWFKVYYEUDQBAY-CQSZACIVSA-N	316.367	3.118	10	20	DGCD	
CCN(CC)C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816515759	KDXXIXIIEUZFCD-LBPRGKRZSA-N	314.832	3.348	10	20	DGCD	
C[C@@H](NCCCCS(C)(=O)=O)c1ccc2ccccc2c1O	818349222	DMLKXXGCJIXPRE-CYBMUJFWSA-N	321.442	3.021	10	20	DGCD	
O[C@H](CNc1ccccc1OCCF)COCc1ccccc1	819486989	BITNYZYBTQNKES-MRXNPFEDSA-N	319.376	3.025	10	20	DGCD	
C[C@H]1CC2(CCNCC2)CN1Cc1cc(Cl)cc(F)c1O	818430864	AEXCBGJRQALTOY-NSHDSACASA-N	312.816	3.149	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H](C2CCCC2)C2CC2)cc1	817940877	LTNCDPAEQNGLAX-RTBURBONSA-N	301.478	3.311	10	20	DGCD	
CC(C)c1ccccc1OCC(=O)NCCc1ccc(N)cc1	818546324	NLFGZTDZUVHSLL-UHFFFAOYSA-N	312.413	3.130	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2ccccc2Cl)c1	728980585	LCECHBAOBMTDQH-NSHDSACASA-N	319.788	3.474	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(C)(C)SC)cc1F	826943701	YOHLBLMWPOVRPV-UHFFFAOYSA-N	312.454	3.430	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC23CCSCC3)cc1F	822863152	MCMGTKUJKBKLKH-ZDUSSCGKSA-N	322.449	3.041	10	20	DGCD	
OC[C@@H](C1CC1)[C@H](NCc1cc(Cl)cc(F)c1O)C1CC1	824845138	IFLVDCFZXAGYFA-DZGCQCFKSA-N	313.800	3.071	10	20	DGCD	
C[C@@H](NC(=O)CCC[C@@H](O)c1ccccc1)c1ccccc1O	827952161	HYGLDDJMBZBXPX-RHSMWYFYSA-N	313.397	3.473	10	20	DGCD	
CN(C)CCN(Cc1ccsc1)Cc1cc(F)ccc1O	839186166	JWAIMVVEOMTSCJ-UHFFFAOYSA-N	308.422	3.157	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCc2nc(C(C)C)n[nH]2)c1O	834871576	MWPWDCPCKXJDOG-JTQLQIEISA-N	308.813	3.446	10	20	DGCD	
CCOc1ccc2cc(C(=O)NCc3ccccc3O)[nH]c2c1	748346507	ZFOGUPPWOAMGHS-UHFFFAOYSA-N	310.353	3.202	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(CC(F)F)C1)c1ccc(N(C)C)cc1	841771611	ZWXOSPWMFZDJGI-GDBMZVCRSA-N	311.420	3.133	10	20	DGCD	
COc1ccc(N(Cc2cccs2)C[C@H]2CCNC2)cc1	843356036	BSFAPQFRNYPSFV-AWEZNQCLSA-N	302.443	3.373	10	20	DGCD	
CCC[C@@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1	843158647	FQDYTIZJRUKZKO-DZGCQCFKSA-N	301.390	3.305	10	20	DGCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1O	748354349	KMXWDRLWMYXADM-UHFFFAOYSA-N	321.380	3.125	10	20	DGCD	
N[C@@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2	857226191	HEZVXNRECLIZAQ-QMTHXVAHSA-N	301.217	3.012	10	20	DGCD	
CC(C)N1CCC[C@H](CN[C@H](C)c2cc(F)cc(F)c2O)C1	756545725	OWFDCATVSIKMCA-CHWSQXEVSA-N	312.404	3.441	10	20	DGCD	
CC(C)c1nc([C@H](C)NCc2ccc3c(c2)CCCO3)n[nH]1	921945862	KORJKTKPXHGIQQ-LBPRGKRZSA-N	300.406	3.104	10	20	DGCD	
O=C1SCCN1CN1CCCc2cc(OC(F)F)ccc21	766350728	GTCBZDMEBDWCFJ-UHFFFAOYSA-N	314.357	3.167	10	20	DGCD	
Cc1cccc([C@H](O)CNCc2cc(F)c(N(C)C)cc2F)c1	1118853166	YABQYMLHUPILIG-GOSISDBHSA-N	320.383	3.162	10	20	DGCD	
COC(=O)C1(N(C)Cc2cc(Cl)ccc2O)CCCCC1	769401795	PSBMLNOGSVMZDV-UHFFFAOYSA-N	311.809	3.353	10	20	DGCD	
CC1CCC(N(C)C(=O)CN[C@H](C)c2ccccc2O)CC1	879647710	IZLMRPUHDWXUJW-SHARSMKWSA-N	304.434	3.080	10	20	DGCD	
Nc1ccc(CC(=O)NCC2CCc3ccccc3CC2)cc1	876990836	NUEZEPNKXHUXJX-UHFFFAOYSA-N	308.425	3.123	10	20	DGCD	
COc1cccc2c1O[C@@H](c1cc(Cl)c(F)cc1O)NC2=O	877842358	HQHBMQOHDQSUHY-HNNXBMFYSA-N	323.707	3.014	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC(C(C)C)C(C)C)c1	770418117	OLYNJRYHSXEAAX-LBPRGKRZSA-N	308.422	3.442	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1	773008894	HYTOZXRMKCYDGS-JOYOIKCWSA-N	301.217	3.124	10	20	DGCD	
CCOCc1cc(CNC[C@@H]2CCO[C@@H](C)C2)ccc1OC	770738323	HBJWYSYFFCXQCU-GOEBONIOSA-N	307.434	3.136	10	20	DGCD	
Cc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc(O)c(O)c1	784211329	VZWVCUADNSTSNS-UHFFFAOYSA-N	320.728	3.099	10	20	DGCD	
COc1ccc(CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3CC2)c(O)c1OC	894691993	MTUGRRABKULKAD-SDADXPQNSA-N	315.413	3.053	10	20	DGCD	
CC[C@@H](N[C@@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1O	796959507	QPXCLMKEDKORHZ-SJLPKXTDSA-N	317.404	3.484	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC(C3CCCC3)C2)cc1F	792951485	GPDVABWZGZWPCG-UHFFFAOYSA-N	319.424	3.223	10	20	DGCD	
CC/C=C(\C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089810047	FIJXHQORTCSQNZ-LHHJGKSTSA-N	317.408	3.220	10	20	DGCD	
CC(C)(CO)[C@@H](NCc1ccc(N2CCCC2)cc1)C1CC1	1327572335	IKTMLDVQURTIPH-SFHVURJKSA-N	302.462	3.174	10	20	DGCD	
O[C@@H](CNCc1ccc(N2CCCCC2)cc1)CC(F)(F)F	1335893914	WVIQGERAPLVECN-OAHLLOKOSA-N	316.367	3.080	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCC[C@H](F)C1	1332092146	ACULDVWVHOTSTP-KBPBESRZSA-N	320.408	3.351	10	20	DGCD	
Nc1ccc(CNCc2ccc(N3CCCCCC3)nc2)cc1	1345160806	ZDGYWVCVNWRLAQ-UHFFFAOYSA-N	310.445	3.334	10	20	DGCD	
Cc1cc(O)c(CN2CCSC[C@@H](C(=O)O)C2)cc1C(C)C	1600286880	YVQDVWXGLGMUDY-AWEZNQCLSA-N	323.458	3.074	10	20	DGCD	
Cc1sc([C@@H]2CCCN2Cc2ccc(N)cc2)nc1C(=O)O	1608067226	GKNKSIQEXFOVJM-ZDUSSCGKSA-N	317.414	3.069	10	20	DGCD	
Cc1cc(CN[C@@H]2CC[C@H]3C[C@H]2CN3)c(C)n1-c1ccccc1	1579601739	YQTUKVNFSSKQDA-CMKODMSKSA-N	309.457	3.324	10	20	DGCD	
CCCCC[C@@H](NCc1cc(Cl)cc(OC)c1O)C(=O)O	1595683216	NBYJZKCZXYBUTN-GFCCVEGCSA-N	315.797	3.177	10	20	DGCD	
COCCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1	160000729	ABEYKFNXVGHBFN-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cn(C)c3ccccc23)c1	153933571	LPBPXURXWGJNAV-GFCCVEGCSA-N	324.380	3.384	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(C)(C)C	155230334	MIACFXHBSMSALL-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
COc1ccc(O)c(CN2CCN(c3cccc(C)c3)CC2)c1	155974640	RJGSHCGGFZWILU-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
COc1ccc(N(C[C@H](O)COCC(C)C)C(C)C)cc1F	156773944	DBEUROIMIYCOIQ-HNNXBMFYSA-N	313.413	3.083	10	20	DGCD	
CCCN(CC(F)F)C(=O)NCCCSc1nccs1	154618012	DFPLCFGUGYVCLW-UHFFFAOYSA-N	323.434	3.312	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc3c(c2)CCC3)c1O	104978633	ZXONHIYFAKSWJF-UHFFFAOYSA-N	312.369	3.211	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CCC2	189426915	TTWKAQCQRVNBMX-UHFFFAOYSA-N	317.410	3.244	10	20	DGCD	
CCCCCNC(=O)[C@H](C)N(CCC)Cc1ccccc1O	76073956	YJKFXCGWICIEIR-HNNXBMFYSA-N	306.450	3.299	10	20	DGCD	
Fc1cc(CN[C@H]2CCC23CCCC3)ccc1N1CCOCC1	189072724	ICYLQRQOUOTNGT-SFHVURJKSA-N	318.436	3.475	10	20	DGCD	
CC[C@H]1CCCCN1C(=O)CN(C)c1ccc(OC)c(F)c1	121819201	NVECBZXRPNTCKN-ZDUSSCGKSA-N	308.397	3.062	10	20	DGCD	
CSC[C@@H](CCO)N[C@H](C)c1cc2c(cc1O)CCCC2	185530608	TYRKPMCVORRIKX-IUODEOHRSA-N	309.475	3.036	10	20	DGCD	
C[C@H](Nc1ccc(OC2COC2)cc1)c1cc(F)ccc1O	188645916	VIRIUQPURNYBMB-NSHDSACASA-N	303.333	3.482	10	20	DGCD	
CC[C@@H](NCCN(C)C(=O)OC(C)(C)C)c1ccccc1O	155576821	JZOWFOSOSFQUED-CQSZACIVSA-N	308.422	3.300	10	20	DGCD	
C[C@H](N[C@H](C)C[S@](C)=O)c1ccc(N2CCCCCC2)cc1	184305469	XEGFMPQYYNKISI-VVBPWWLESA-N	322.518	3.485	10	20	DGCD	
CO[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C	189105382	LUNDSFOPOFWOSH-AWEZNQCLSA-N	300.402	3.167	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)cn2)c(O)c1	186251380	GXLSHRWMBBBWEE-CQSZACIVSA-N	313.401	3.105	10	20	DGCD	
COC[C@@H](N[C@H](C)c1ccc(Br)cc1O)C1CC1	186154098	UVYCIOVJXFCQDH-NOZJJQNGSA-N	314.223	3.230	10	20	DGCD	
CCCN(CC(=O)N1CCCCCC1)Cc1ccccc1O	130725658	LDRPNJLETIEFIB-UHFFFAOYSA-N	304.434	3.007	10	20	DGCD	
CC(C)=CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	81203145	OOQHBRIHZKXIEU-CYBMUJFWSA-N	324.371	3.339	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCOC2(CCC2)C1	93639983	YAVLODJHIUVVEW-UHFFFAOYSA-N	300.446	3.432	10	20	DGCD	
COc1ccc(N(CCC2OCCCO2)[C@H](C)C2CC2)cc1	267903134	CHHIGCXKJUMBQJ-CQSZACIVSA-N	305.418	3.453	10	20	DGCD	
CC[C@@H](SC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	269477134	KUAZCUYGAUJINZ-MRXNPFEDSA-N	306.475	3.385	10	20	DGCD	
COc1ccc(N2CCN([C@@H](C)c3cccnc3)CC2)cc1F	267933094	OYWQWXOWWWMJKW-AWEZNQCLSA-N	315.392	3.113	10	20	DGCD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(N)cc1	262573446	GRPYEHLLYMGRRW-JLSDUUJJSA-N	318.461	3.301	10	20	DGCD	
C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C	265255780	SVZPYOJLKMQDIT-OAHLLOKOSA-N	318.461	3.164	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H]1CCCCO1	272044860	CWXXTTLTYACMAT-YOEHRIQHSA-N	320.433	3.271	10	20	DGCD	
CCSCCCN[C@@H](C)c1ccc(N2CCOCC2)cc1	271643152	BNPZYSCRSGGXHU-HNNXBMFYSA-N	308.491	3.317	10	20	DGCD	
CC[C@H](NC[C@@H](COC)OC)c1cc(Cl)cc(Cl)c1O	287885160	YQSCOFXIGFNFNR-GWCFXTLKSA-N	322.232	3.401	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)CC2	296880578	OFXLXUWDLKAWPN-GDBMZVCRSA-N	321.779	3.495	10	20	DGCD	
CN(Cc1ccc(O)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	809753984	YLXRZJYCJLVIJO-UHFFFAOYSA-N	322.748	3.291	10	20	DGCD	
CCCCN(CCOC[C@H]1CCCO1)Cc1ccccc1O	801597163	CPXQGINCDJHJMJ-QGZVFWFLSA-N	307.434	3.190	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCCNC(=O)C2CCC2)c1O	808706241	FMSKZDBOPSZMAD-LBPRGKRZSA-N	324.852	3.311	10	20	DGCD	
CCCCN(CC(=O)N1CCC[C@H](C)C1)Cc1ccccc1O	801596076	NYRSEXYPWAUDLU-INIZCTEOSA-N	318.461	3.253	10	20	DGCD	
CN(C)C[C@H](NCc1cc(F)ccc1O)c1ccc(F)cc1	290466232	NFVVICNCAQOMIF-INIZCTEOSA-N	306.356	3.063	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC2C[C@@H]3CC[C@H](C2)N3C)cc1	296048934	UZKALJKLAVBEEU-DJXYKJKZSA-N	301.478	3.419	10	20	DGCD	
Cc1ccc([C@H](C)Nc2ccc(COCCO)cc2)c(O)c1	818362594	XXXSBRSYJQDRNC-AWEZNQCLSA-N	301.386	3.383	10	20	DGCD	
C[C@@H](N[C@@H]1CCCC[C@H]1N)c1ccc(Br)cc1O	818616373	VOMAPTCWEKMQDU-OASPWFOLSA-N	313.239	3.075	10	20	DGCD	
COCc1csc(C(=O)NCc2ccc(N(C)C)cc2C)c1	827955170	AFJNLMMCUSRWBR-UHFFFAOYSA-N	318.442	3.199	10	20	DGCD	
CCOc1cccc(CN(C)[C@@H]2C[C@H](OC)C23CCC3)c1O	825104255	SCXGJLZVQBKGLU-CVEARBPZSA-N	305.418	3.180	10	20	DGCD	
COC1([C@H](C)NCc2ccc(Br)cc2O)CCC1	826123004	BYWUGXNWWQUXEK-JTQLQIEISA-N	314.223	3.202	10	20	DGCD	
CCOc1ccc(CN[C@H](C(C)C)[C@@H](CO)C(C)C)c(O)c1	824845364	KFDCQLAXCQJSRU-FUHWJXTLSA-N	309.450	3.170	10	20	DGCD	
CCCC[C@H](CC)CNC(=O)NCc1cc(OC)ccc1O	734063529	ICSMQJMUCWKCQA-ZDUSSCGKSA-N	308.422	3.416	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(F)cc1O	834894731	UHPSUMMCWPZGME-XLWVJDPXSA-N	316.376	3.497	10	20	DGCD	
COC1CN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1	733881716	WTMNAWBDFQRJBH-UHFFFAOYSA-N	318.804	3.218	10	20	DGCD	
C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCCO1	837374402	VZWPYEKWAXSVQI-IBGZPJMESA-N	316.445	3.252	10	20	DGCD	
CCN(CC)c1ccc(CNc2cncc(-n3cccn3)n2)cc1	917085274	GYTLYNSGBXJYOM-UHFFFAOYSA-N	322.416	3.121	10	20	DGCD	
Cc1cc(CN2C[C@@H](C(=O)O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1	832882525	KABYNORWQPVXBG-GXTWGEPZSA-N	305.418	3.151	10	20	DGCD	
O=C(O[C@@H]1CCOC1)N(Cc1ccccc1O)C1CCCC1	914156784	HGMGLNFPDQJALQ-OAHLLOKOSA-N	305.374	3.062	10	20	DGCD	
N[C@@H]1CCC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]21	843058027	LMVDYHYGRKWAIU-MISYRCLQSA-N	313.489	3.236	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1ncc([N+](=O)[O-])cc1F	840275378	OYWIWQLGEDIZGV-UHFFFAOYSA-N	318.352	3.221	10	20	DGCD	
CC[C@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1C	745828749	VCCRAYAUWOVVQE-CJNGLKHVSA-N	303.450	3.391	10	20	DGCD	
C[C@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O	846205959	LUSXQWLAYNPKGT-UONOGXRCSA-N	324.424	3.207	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)cn1	756380249	FQGRODMLDPITKY-ZWNOBZJWSA-N	302.349	3.273	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCS[C@@H](C(C)C)C2)c1O	750826680	ANTLXZIKMVXQRV-OAHLLOKOSA-N	311.422	3.307	10	20	DGCD	
CCOC(=O)c1cnc(Sc2nnc(C3CC3)s2)s1	853397196	YCYWENVXDMDDNO-UHFFFAOYSA-N	313.429	3.200	10	20	DGCD	
CCCC[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C(C)C	856994431	MUVIMUVWCFZJSF-QZTJIDSGSA-N	319.493	3.331	10	20	DGCD	
COc1cc2c(cc1NCc1cn(C)nn1)oc1ccccc12	761206173	OWOKHZRBMNPRCQ-UHFFFAOYSA-N	308.341	3.335	10	20	DGCD	
CCCC1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1	760401301	ULBBIUAMWCXETI-HNNXBMFYSA-N	316.445	3.281	10	20	DGCD	
COc1cc(CNCc2cc(C)ccc2O)c(Cl)cc1O	877652949	RGXIATYELBWOMR-UHFFFAOYSA-N	307.777	3.358	10	20	DGCD	
Cc1ccc(C(=O)NCC2(c3cccc(F)c3)CC2)c(O)c1O	770501315	FLOZZQVCFCRKDL-UHFFFAOYSA-N	315.344	3.007	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)cc(Cl)c1O	771504762	MNDCSNZEHZYLNM-RQOWECAXSA-N	323.707	3.248	10	20	DGCD	
CN(C)Cc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1	771934237	YFBFLEXJDIKTLJ-UHFFFAOYSA-N	311.473	3.446	10	20	DGCD	
COCc1cc(NCc2ccc(C)cc2O)cc(C(=O)OC)c1	877545555	IIAQDJMTMZMSSZ-UHFFFAOYSA-N	315.369	3.246	10	20	DGCD	
CC[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O	775412716	OJMHSYKNWLHQFM-INIZCTEOSA-N	316.357	3.420	10	20	DGCD	
CCc1ccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1	779490222	ZHXVGVICLJNEBJ-LUAWRHEFSA-N	311.381	3.332	10	20	DGCD	
COc1ccc2c(c1)CC[C@@H](C(=O)N(C)c1ccc(N)cc1)C2	884441257	DBNBBXROAILPRS-OAHLLOKOSA-N	310.397	3.045	10	20	DGCD	
Cc1ccccc1-n1nccc1NC(=O)c1ccc(C)c(O)c1O	780936882	FEQPXIRQDMJJKE-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl	793612067	IZIKSCIWSROINQ-ZIAGYGMSSA-N	316.228	3.417	10	20	DGCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1c(F)cccc1Cl	790857816	QTMPFQBFZFUTIY-QMMMGPOBSA-N	309.724	3.381	10	20	DGCD	
CC[C@@H](NCc1csc(N(C)C)n1)c1ccc(F)cc1O	796777054	AIDMQXIXYQQVJE-CYBMUJFWSA-N	309.410	3.295	10	20	DGCD	
CCc1ccc([C@H](O)CN[C@H](C)c2cc(F)ccc2O)cc1	797020635	WMFNZMQCOSMQSU-KZULUSFZSA-N	303.377	3.478	10	20	DGCD	
OCC[C@@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	189932925	SHGIKIZEQRPOHV-ZANVPECISA-N	304.217	3.340	10	20	DGCD	
CC[C@@H](C)[C@H](CNCc1c(O)cccc1Br)OC	706799907	HZNZZVWDPSGZIR-YGRLFVJLSA-N	316.239	3.305	10	20	DGCD	
CC[C@H](C)CC[C@H](O)CC(=O)N(C)Cc1ccc(N(C)C)cc1	792878350	QJSDBBFASOBZPC-YJBOKZPZSA-N	320.477	3.288	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1nc(C(C)C)n[nH]1	1330713006	GOQPARSXOGCLJC-RYUDHWBXSA-N	300.406	3.280	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCCCO[C@H]1CCCCO1	1332336888	ZWMIUNGUFAKDBU-IBGZPJMESA-N	318.461	3.310	10	20	DGCD	
COc1ccc(N(Cc2cncc(C(=O)O)c2)CC2CC2)cc1	1607268140	LTPBJJIOUXIXGB-UHFFFAOYSA-N	312.369	3.205	10	20	DGCD	
O=C(OCc1c(Cl)cccc1C(=O)O)c1cc(O)cs1	1602616069	YRADGOZRDBIJIZ-UHFFFAOYSA-N	312.730	3.162	10	20	DGCD	
O=C(O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1	1608903531	QREFBWDTCPZBDW-UHFFFAOYSA-N	313.140	3.404	10	20	DGCD	
CCOc1cccc(CN2CCOc3ccc(OC)cc32)c1O	154877132	OGYJXMIHUUMHQG-UHFFFAOYSA-N	315.369	3.199	10	20	DGCD	
CC[C@H]1C[C@H](NCc2cccc(Br)c2O)CCO1	824291783	HLDSLNMSYVTDND-NEPJUHHUSA-N	314.223	3.202	10	20	DGCD	
COCCCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C	59011754	MBTYNHWNRZRZLL-UHFFFAOYSA-N	315.417	3.036	10	20	DGCD	
CC(=O)c1csc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	106733211	BZUGRJQJKYZJCT-UHFFFAOYSA-N	316.426	3.289	10	20	DGCD	
CCS[C@H]1CCC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1	179536260	KCNSOWFJUOGOAU-RYUDHWBXSA-N	309.431	3.200	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](C)Cn2ccnc2)cc1	67500720	BOPMCXGCIFKKLT-INIZCTEOSA-N	300.450	3.155	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2sccc2SC)c1	114543445	XIZMBMNVFONEEQ-UHFFFAOYSA-N	309.412	3.114	10	20	DGCD	
CCN1CC[C@@H](NCc2ccc(N(CC)CC)cc2)[C@H](C)C1	174629096	ABJHBJQANGVAIB-VQIMIIECSA-N	303.494	3.353	10	20	DGCD	
CC[C@H](CO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	124118342	JKNLWQZODATVFZ-CQSZACIVSA-N	320.820	3.248	10	20	DGCD	
Cc1cc(Br)ccc1NC(=O)c1cccc(O)c1O	126171123	IIWWZGMIQYXWAU-UHFFFAOYSA-N	322.158	3.421	10	20	DGCD	
O=C(Nc1cccc(Br)c1)c1cccc(O)c1O	126172277	XAUPAUBZUIYVKX-UHFFFAOYSA-N	308.131	3.113	10	20	DGCD	
C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Br)ccc1O	185459909	KTJMBRDWEDEEGR-PFEFGLNJSA-N	312.207	3.125	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1c(F)cc([N+](=O)[O-])cc1F	184148028	ITXKUIQUFLCKBQ-MRVPVSSYSA-N	324.283	3.327	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1C[C@@H](C)Oc2cc(F)ccc21	186585075	NACPUFIZDGNMRQ-BRAIEQGRSA-N	318.373	3.418	10	20	DGCD	
COC(=O)[C@@H](NCc1cc(C)ccc1O)c1cc(C)cc(C)c1	189635838	TXGKJODUVNFPFF-SFHVURJKSA-N	313.397	3.321	10	20	DGCD	
Cn1ccnc1[C@H](NCc1ccc(N2CCCC2)cc1)C1CC1	187760554	LPLOIFAUGPGVDV-GOSISDBHSA-N	310.445	3.261	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1CCCN(C)c2ccccc21	186532761	ODYKKJNIRFKCRK-CMDGGOBGSA-N	313.426	3.338	10	20	DGCD	
COc1cccc(NCc2ccc(N(C)C)c(F)c2)c1[N+](=O)[O-]	185293084	UMSNLPVKDGUVQU-UHFFFAOYSA-N	319.336	3.421	10	20	DGCD	
O=C(c1cccc2c1CCNC2)N1CCCCc2ccccc21	322295338	SHCIKLHBVBZRHN-UHFFFAOYSA-N	306.409	3.315	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1	321292708	KXUFXUKBKDFMNJ-VTLBSYCISA-N	316.357	3.462	10	20	DGCD	
Cc1cc(C(=O)NC[C@@H](C)O)c(C)n1-c1cccc(C(C)C)c1	97478043	YSBLWVIFBILWMZ-CQSZACIVSA-N	314.429	3.328	10	20	DGCD	
Fc1cc(CN2CCC[C@@H]2C2CCC2)ccc1N1CCOCC1	92781003	LLVZQNUGSOHNGJ-GOSISDBHSA-N	318.436	3.427	10	20	DGCD	
Cc1cc(Br)cc(CN2C[C@H](C)OC[C@H]2C)c1O	245856647	NRYGLPVKANIVOX-MNOVXSKESA-N	314.223	3.072	10	20	DGCD	
C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1ccc(N2CCCCC2)cc1	249839729	FUBFMVSMGVPDDH-JCGIZDLHSA-N	302.462	3.487	10	20	DGCD	
Cc1c(CNC(=O)Cc2cccc(O)c2)n(C)c2ccccc12	352110951	HMCRLTSWOZAWND-UHFFFAOYSA-N	308.381	3.051	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCC1CCOCC1	283684620	NVLAARCYNJZKRG-UHFFFAOYSA-N	320.433	3.131	10	20	DGCD	
Nc1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1	386380419	IAXDDSCGYBYMQD-UHFFFAOYSA-N	310.275	3.305	10	20	DGCD	
Cc1cc(C(=O)CCC(=O)NCc2ccccc2O)c(C)s1	299608989	XFINGUNIFHLHNI-UHFFFAOYSA-N	317.410	3.350	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)N[C@H](C)CC	801598169	WOONZYLKLBJXSM-CABCVRRESA-N	306.450	3.298	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@H](N)C1)c1ccc(Br)cc1O	817970427	VDZGTFXEUCMYKY-DLOVCJGASA-N	313.239	3.075	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@@H](N)C1)c1cc(Br)ccc1O	817969934	IIRDXIYOESZZKS-WCQGTBRESA-N	313.239	3.075	10	20	DGCD	
OC[C@H](CNCc1cc(Cl)c(F)cc1O)C1CCCCC1	816649750	JJQWAQKHLPSBMM-ZDUSSCGKSA-N	315.816	3.463	10	20	DGCD	
Oc1c(CNCCCOC[C@@H]2CCOC2)ccc2ccccc12	816553308	PVRWFWYNACXTKF-HNNXBMFYSA-N	315.413	3.078	10	20	DGCD	
CC[C@H](N[C@H](CN)C1CC1)c1cc(Cl)cc(Cl)c1O	817961366	XTUKCSVSHFUNTJ-QWHCGFSZSA-N	303.233	3.477	10	20	DGCD	
CCC(C)(CC)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819590061	WHMFLIONSUCLLU-HNNXBMFYSA-N	318.461	3.464	10	20	DGCD	
C[C@@H](NC(=O)c1c[nH]nc1C(C)(C)C)c1ccc(N(C)C)cc1	816180414	OJIQELLZLOIAOS-GFCCVEGCSA-N	314.433	3.264	10	20	DGCD	
CCCN(Cc1cc(C(=O)OC)c(C)o1)Cc1ccccc1O	727831220	OVLSIQLFLOBPPS-UHFFFAOYSA-N	317.385	3.492	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(Cl)c(C)cc2O)cn1	825504793	HYSBYOIZNMETGN-UHFFFAOYSA-N	306.793	3.390	10	20	DGCD	
Cn1ccnc1[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1	834503242	XBJVMMGICJKZOV-APWZRJJASA-N	319.408	3.492	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@H](C)c2ccc(F)cc2O)cc1C	834916444	YUAZMYYJKJOXHB-RHSMWYFYSA-N	317.404	3.402	10	20	DGCD	
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(O)cs2)C1	732275827	CJCQNSZZZFFSDW-OCCSQVGLSA-N	316.426	3.019	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CCCCO	833696867	ZIYMHLJMRUCYPA-GFCCVEGCSA-N	320.458	3.437	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)C(F)(F)F	839919792	TUZOODMRVLDBDX-RYUDHWBXSA-N	316.367	3.307	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2C[C@@H](C)Oc3c(F)cccc32)s1	588513023	CINRGTNIEOBDCR-JYESYGNLSA-N	318.373	3.418	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc([C@H](C)O)cc2)c1O	846144360	LWSGMHZQSHVURP-OLZOCXBDSA-N	301.386	3.305	10	20	DGCD	
COc1cccc(CN(C)Cc2cc(C)cc(OC)c2O)c1	915803874	LLYSFAWHVXXFAT-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2CCc3ccccc3OC2)c1O	846169046	XOZIAYPSWAIFCR-ZFWWWQNUSA-N	313.397	3.445	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)c(O)c1C	842884872	LJJHITDTZFEOLZ-ZFWWWQNUSA-N	304.434	3.059	10	20	DGCD	
c1cc([C@@H]2C[C@H](NCc3ccc4c(c3)CCCO4)CCO2)ccn1	922164744	WWMYTSWHEWBRSQ-QUCCMNQESA-N	324.424	3.417	10	20	DGCD	
CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1cccc(Cl)c1O	840827301	FCSLKADGVTWJMX-ZDUSSCGKSA-N	310.825	3.301	10	20	DGCD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(N)cc1	841299853	IYCLLCMDJORMSC-DOMZBBRYSA-N	305.422	3.232	10	20	DGCD	
CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)C(C)(C)C	841038984	WILNAVVPXOLJAS-OAHLLOKOSA-N	319.449	3.174	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1CC(F)(F)F)c1ccccc1O	926925729	KVIFPLPBEMQZKD-VXGBXAGGSA-N	302.340	3.070	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2CCCN(CC3CC3)C2)c1	853241521	WKFIPNZQQOOZBV-WBVHZDCISA-N	302.462	3.473	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCc1ccon1	854375041	DZHOGAQCYJQXSC-UHFFFAOYSA-N	302.374	3.142	10	20	DGCD	
C[C@@H](N[C@H]1CCN(CC2CC2)C1)c1cc2c(cc1O)CCCC2	756556916	XROPAQCIIFPGCY-KDOFPFPSSA-N	314.473	3.406	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1cc(F)ccc1F	759594910	OLPPYDTUKQJHFS-KXFIGUGUSA-N	306.264	3.133	10	20	DGCD	
COc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)cc1	854271948	WPNPDQVEOZESHA-RBUKOAKNSA-N	324.424	3.181	10	20	DGCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC2CC2)cc1	751405357	MAKBQWKENXFHDZ-GOSISDBHSA-N	316.445	3.060	10	20	DGCD	
C[C@@H](N[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccccc1O	854225180	YAGFIJNOUIIPDW-FSPWUOQZSA-N	314.404	3.328	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CCC34CCCC4)cc2)CC1	850568386	WVGLAGTZYUZVBS-IBGZPJMESA-N	314.473	3.460	10	20	DGCD	
C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1O	756787782	RTODRVPFEFIGSK-PWSUYJOCSA-N	313.344	3.007	10	20	DGCD	
C[C@H](Nc1cnn(C(C)(C)C)c1)c1cc([N+](=O)[O-])ccc1O	756855906	OMCVESIXICKULQ-JTQLQIEISA-N	304.350	3.425	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H](N3CCCC3)CC2)c(O)c1	769467701	ZRUYYRGGLIYSOG-KRWDZBQOSA-N	318.461	3.241	10	20	DGCD	
COCCN(CCc1ccccc1)Cc1c(O)cccc1OC	768584577	MWRWQBXVYBNZRJ-UHFFFAOYSA-N	315.413	3.092	10	20	DGCD	
COc1cc(CN[C@H](C)c2noc(C)n2)c(O)c(C(C)(C)C)c1	1118578755	YHVGAVDKGLJARZ-SNVBAGLBSA-N	319.405	3.241	10	20	DGCD	
CC(C)CCOCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773242165	BCKHDAZUQCHZGV-HNNXBMFYSA-N	321.465	3.176	10	20	DGCD	
C[C@H](NCCN1CCCC(C)(C)C1)c1cc([N+](=O)[O-])ccc1O	774486980	KCAUTQINCGCTJC-ZDUSSCGKSA-N	321.421	3.073	10	20	DGCD	
CC[C@@H](Nc1cccnc1Cl)C(=O)N(C)c1ccc(N)cc1	877076736	QGXKHURCDMUXSH-CYBMUJFWSA-N	318.808	3.171	10	20	DGCD	
Cc1ccc(CNc2cnn(C3CCOCC3)c2C)c(O)c1	877557114	NTMRSDWJKNANMC-UHFFFAOYSA-N	301.390	3.169	10	20	DGCD	
COC(=O)N1CCC(N[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)CC1	1116820186	UOIORDKLXKZGRH-OCCSQVGLSA-N	318.417	3.069	10	20	DGCD	
CC[C@H](NC[C@H]1C[C@H](N)C1)c1cc(Cl)cc(Cl)c1O	873258999	XKNITHVNWTYBON-FWDPORAESA-N	303.233	3.477	10	20	DGCD	
C[C@H]1CCC[C@@H](Cn2cc(COc3ccc(N)cc3)nn2)C1	881326147	XUSRELDOFTVWGS-UONOGXRCSA-N	300.406	3.266	10	20	DGCD	
CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccc(N)cc2)C1	1120676851	DXQMYLICLMUBKX-GJZGRUSLSA-N	307.463	3.084	10	20	DGCD	
C[C@H](N[C@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1	886513149	VHPZPYJLJWCSHK-KXBFYZLASA-N	323.440	3.256	10	20	DGCD	
Cc1nc2ccccn2c1CNCc1ccc2c(c1)CCCO2	898272664	ZFEOWRRUSTVZMK-UHFFFAOYSA-N	307.397	3.258	10	20	DGCD	
COc1ccc(CNCc2ccc(C)cc2C)c(O)c1OC	892617481	YJETWBSYFXLINI-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@@H]([C@H]2CCCCO2)C1	895280741	ZSWVOFIGTMJENT-MLGOLLRUSA-N	311.372	3.452	10	20	DGCD	
COc1ccc(CNCCNC(=O)CC2CC(C)(C)C2)cc1C	1132775004	OFGCTYRZPWAETM-UHFFFAOYSA-N	318.461	3.036	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCCC[C@H]2O)c(C(F)(F)F)c1	793086405	AUCBUACFKSMUQJ-HUUCEWRRSA-N	316.367	3.165	10	20	DGCD	
CCc1ccc([C@H]2CN(C(=O)c3cc(O)cs3)CCO2)cc1	792508653	AANHPQMVZSAQBB-OAHLLOKOSA-N	317.410	3.230	10	20	DGCD	
CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1	793468319	LESFZCIFRRUFEN-CXAGYDPISA-N	324.440	3.349	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@]2(C)CCO[C@H]2C2CC2)cc1F	1328688195	HCYYAZGYSLFSSI-IRXDYDNUSA-N	310.388	3.078	10	20	DGCD	
Cc1c([C@H](C)N[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)cnn1C	1254720969	DVZUUCSGHONERI-ISTVAULSSA-N	303.381	3.472	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2F)cc1	1337915528	GYLFTOHQYMRTLH-SJORKVTESA-N	316.376	3.232	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCOC(C)(C)C1	1358033796	XZGJLCBJUZVPKP-CQSZACIVSA-N	305.418	3.336	10	20	DGCD	
O[C@@H](CCNCc1ccc(N2CCCC2)cc1)C1CCCC1	1351784471	XAKFRKZVNXKBBW-IBGZPJMESA-N	302.462	3.318	10	20	DGCD	
Cc1cc(Cl)cc(CNC(C)(C)c2nocc2C(=O)O)c1O	1607655832	LAYUEMQQXBNXFC-UHFFFAOYSA-N	324.764	3.065	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)CC(=O)O	1595748352	XLWUOFQQYJJGLX-ZDUSSCGKSA-N	307.390	3.022	10	20	DGCD	
C/C=C/C=C/C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	153953358	WDIWVKZKRJRULW-AFTVTQNCSA-N	301.386	3.032	10	20	DGCD	
CC(C)(CNC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1	156195638	FMRPYJLDPNVAOA-UHFFFAOYSA-N	300.377	3.044	10	20	DGCD	
CCC(CC)(CC)CNC(=O)NCc1cccc(OC)c1O	154723688	CTKODCVRAFFRDO-UHFFFAOYSA-N	308.422	3.416	10	20	DGCD	
O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(O)c1O	126577421	JTVMKGANCGMARF-UHFFFAOYSA-N	314.124	3.363	10	20	DGCD	
CO[C@@H](C)[C@H](C)NCc1cc(Cl)cc(Br)c1O	883100457	YKGHINVSVPVUJI-YUMQZZPRSA-N	322.630	3.321	10	20	DGCD	
CCc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1O	109772913	GIKAIJKIGVFJSK-UHFFFAOYSA-N	312.413	3.334	10	20	DGCD	
CCOc1cccc(CNCCOc2cccc(C)c2)c1O	67905567	CJHAHKJCSMQCSI-UHFFFAOYSA-N	301.386	3.268	10	20	DGCD	
Oc1ccccc1CNCCCOc1cccc2cccnc12	113343049	GUJFDCLYPRBYPG-UHFFFAOYSA-N	308.381	3.499	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2cccc(Cl)c2)c1	305755138	AJHDLRMSHYTKFB-PIGZYNQJSA-N	321.804	3.438	10	20	DGCD	
COc1cc(N(C)CCc2cccs2)cc(OC)c1OC	125687811	QZHSIWQDXCNNIF-UHFFFAOYSA-N	307.415	3.453	10	20	DGCD	
CN(C)C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	125463688	RSNBYTLEIBIGOF-GOSISDBHSA-N	301.478	3.060	10	20	DGCD	
COCC[C@@](C)(O)CN[C@H](C)c1ccc(Cl)c(Cl)c1O	185467968	UCOQDIBQYRGDGB-YMTOWFKASA-N	322.232	3.137	10	20	DGCD	
C[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O	183633815	JJXAZJNFMUQFJJ-SWLSCSKDSA-N	320.433	3.346	10	20	DGCD	
CSC1(C(=O)NCc2c(C)c3ccccc3n2C)CCC1	348698579	KXLISRVNJUJGSY-UHFFFAOYSA-N	302.443	3.389	10	20	DGCD	
COc1ccc(O)c(CNc2cccc(-c3nnc(C)n3C)c2)c1	360808609	FMNQVNVWIRCCFI-UHFFFAOYSA-N	324.384	3.117	10	20	DGCD	
CC(=O)c1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	268752933	YLBRTDCMWLXDMA-UHFFFAOYSA-N	310.397	3.227	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccnc1OC	282538258	REXOYPDBSDUHQH-UHFFFAOYSA-N	314.385	3.238	10	20	DGCD	
Cc1ccc(O)c(CN[C@H]2CCN(c3ccccc3F)C2)c1	291717042	MDDDJBDNKJKCMO-HNNXBMFYSA-N	300.377	3.208	10	20	DGCD	
COc1ccccc1C1(C(=O)NCc2ccc(N(C)C)cc2)CC1	299528096	PDZJIEPYUVGBMB-UHFFFAOYSA-N	324.424	3.109	10	20	DGCD	
CCc1nnc(CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)o1	817298121	FXTHGILEJAMLIN-AWEZNQCLSA-N	315.417	3.476	10	20	DGCD	
C[C@@H](NCC[C@H]1CCNC1)c1ccc(N2CCCCC2)cc1	817955565	ZAPWNVLWKIJNIO-IAGOWNOFSA-N	301.478	3.327	10	20	DGCD	
CCOc1cccc(CNC[C@@](C)(OC)c2ccccc2)c1O	824780291	JOKYJXXISOUWLF-LJQANCHMSA-N	315.413	3.442	10	20	DGCD	
Cc1cc(O)c(CNC[C@](C)(O)c2ccsc2)cc1Cl	825291277	HUFMBJWAPMXVJG-HNNXBMFYSA-N	311.834	3.413	10	20	DGCD	
COC(=O)c1csc(CN(C)c2ccc(OC(C)C)cc2)n1	829233958	HLWNIKWWJDJSEC-UHFFFAOYSA-N	320.414	3.353	10	20	DGCD	
C[C@@H](NC(=O)c1ccccc1NC(=O)C1CC1)c1ccccc1O	827952280	MIIZVYIJEGNLFY-GFCCVEGCSA-N	324.380	3.232	10	20	DGCD	
CNC(=O)c1ccc(CN(CC2CC2)c2ccc(OC)cc2)cc1	831587708	HRSQPMNIXGVYEH-UHFFFAOYSA-N	324.424	3.471	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)CC(F)(F)F)c1	840870838	AHHDFHRTRWRMGR-ZJUUUORDSA-N	319.323	3.418	10	20	DGCD	
Nc1ccc(CCNC(=O)NCC[C@H]2CCc3ccccc32)cc1	841907937	UFWBTZMZPGROKR-QGZVFWFLSA-N	323.440	3.231	10	20	DGCD	
NC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1	919749400	RYEZYDHQHMRXRF-UHFFFAOYSA-N	324.384	3.030	10	20	DGCD	
Cc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)on1	845254129	OTUSEECZZCOMGH-UHFFFAOYSA-N	315.417	3.029	10	20	DGCD	
CN(CCC(=O)NCc1cc(Cl)ccc1O)C1CCCCC1	846472668	DSASLEXVUQKATR-UHFFFAOYSA-N	324.852	3.316	10	20	DGCD	
C[C@H]1C[C@@H](N)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F	846704289	UIQCEXXXLAXETE-AAEUAGOBSA-N	315.383	3.083	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C1CCOCC1	756627889	IUSNFQABUHQUKL-NHYWBVRUSA-N	308.378	3.156	10	20	DGCD	
CC[C@H](C)CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856213384	JOGMZSACUYEBJG-HNNXBMFYSA-N	318.461	3.090	10	20	DGCD	
C[C@@](Cc1ccccc1)(NC(=O)Cc1ccc(N)cc1)C1CC1	852914358	UISPJLXCEGTGFI-FQEVSTJZSA-N	308.425	3.339	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@H](C)c1ccc(C)c(C)c1O	756710664	DWZKPKUKVSZVLT-PBHICJAKSA-N	315.413	3.402	10	20	DGCD	
CC[C@@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O	850555415	IFDJQNHWLGJIII-DZGCQCFKSA-N	304.434	3.080	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c2c(O)ccc(F)c21	756606025	KPZAEMYEKBGOKA-IGBZNEDDSA-N	305.393	3.483	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccccc2NC(C)=O)c1	756734302	VQOKQJFNJSCTTI-LBPRGKRZSA-N	314.385	3.210	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C(F)(F)F)O1	769497564	QZAPBZQQNISMCA-YGRLFVJLSA-N	320.330	3.043	10	20	DGCD	
Cc1cc(O)c(CNc2cc(C(N)=O)ccc2Cl)cc1C	863996223	SXOBJBOKUCCSOX-UHFFFAOYSA-N	304.777	3.373	10	20	DGCD	
C[C@H](NC[C@@]1(C)CCO[C@H]1C1CC1)c1cc([N+](=O)[O-])ccc1O	768295457	SIGCXPRSPMJDJX-MZPVMMEZSA-N	320.389	3.156	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)Cc2c(O)cccc2OC)C12CCC2	770351756	KQPQYVYPOSCQHC-IRXDYDNUSA-N	305.418	3.180	10	20	DGCD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1	779511797	LHHPXHNPPCAYBI-UEDYQVLESA-N	303.402	3.442	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(CCc1ccccc1)C1CC1	779507285	YKMHEYIYIIHSFB-YRNVUSSQSA-N	323.392	3.345	10	20	DGCD	
CC[C@@H](N[C@@H]1CC(=O)N(C(C)C)C1)c1cc(Cl)ccc1O	775524535	BKJSYWLGYAPUNR-TZMCWYRMSA-N	310.825	3.096	10	20	DGCD	
C[C@H](NCc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C1	272183382	KNSVTZPQIHCRBO-QFBILLFUSA-N	310.441	3.392	10	20	DGCD	
CNC(=S)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799898858	WZRMPKKQDZYXTO-NSHDSACASA-N	311.882	3.170	10	20	DGCD	
Cc1cc2sc(NC(=O)c3cccc(O)c3O)nc2cc1F	794253519	OVZSENRMUYRQKF-UHFFFAOYSA-N	318.329	3.407	10	20	DGCD	
CCCC(=O)NCCC1=CCN(c2ncnc3ccccc23)CC1	1089804282	BUOFYWQFSCEPJR-UHFFFAOYSA-N	324.428	3.073	10	20	DGCD	
CC[C@H]1CC[C@@H](C)N1Cc1ccc(N2CCN(C)CC2)c(F)c1	1347236160	WNBMRQJNGFUVKJ-WBVHZDCISA-N	319.468	3.340	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1csc([N+](=O)[O-])c1	1342952783	SDRYTRDIQPCJGR-UHFFFAOYSA-N	324.705	3.098	10	20	DGCD	
COc1cc(CNCc2ccc(N)cc2)ccc1OC(F)F	1579154131	UQSSVQAXSQFIHR-UHFFFAOYSA-N	308.328	3.169	10	20	DGCD	
C[C@H](NCc1ccc(Cl)cc1O)c1ncc(C(=O)O)s1	1593300068	ZOKWXCYTRKHSBO-ZETCQYMHSA-N	312.778	3.051	10	20	DGCD	
CN(C)c1ccc(CN2c3ccccc3C[C@@H]2CC(=O)O)cc1	1777039644	CHWIWILZZLXIGQ-QGZVFWFLSA-N	310.397	3.159	10	20	DGCD	
CCn1cnnc1CN[C@H](C)c1ccc(N2CCCCC2)cc1	158471314	IVGDNVGNDUUTAE-OAHLLOKOSA-N	313.449	3.139	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]12CCc1ccccc12	175507435	APTAPWISFQDQSR-PXNSSMCTSA-N	307.393	3.255	10	20	DGCD	
CC(C)[C@H](O)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	123838325	NAWMRFNJJSVTBH-RDTXWAMCSA-N	308.441	3.484	10	20	DGCD	
C[C@H](NCCCN1CCc2ccccc2C1)c1ccccc1O	183398113	HFMABUYUEJNGDS-INIZCTEOSA-N	310.441	3.491	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2ncsc2c1	180930997	MQYJPFQMFYLDHG-QHHAFSJGSA-N	312.350	3.359	10	20	DGCD	
O=C(NCCCSc1nccs1)c1ccc(Cl)o1	74136608	KHVHPQVOTSWPMU-UHFFFAOYSA-N	302.808	3.302	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)CC1CCCC1	183488564	DRMJWRMBDCGDNN-CHWSQXEVSA-N	305.418	3.361	10	20	DGCD	
C[C@@H](NCc1ccccc1OCCN(C)C)c1ccccc1O	183470830	MXVMRTVBQPAROL-OAHLLOKOSA-N	314.429	3.183	10	20	DGCD	
CCc1nc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc2o1	180677967	CZTZUEKVLGRTKU-XBXARRHUSA-N	324.336	3.453	10	20	DGCD	
CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(N)cc1	320110064	RBOQVVSJYAFSIF-UHFFFAOYSA-N	315.392	3.257	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCc2sccc21	137391816	FBWGPLJCDLOJPO-IYNGYCSASA-N	315.394	3.366	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CC[C@H](C(=O)OC)C2)cc1	193881830	OAIXTTVIGILNIS-CWRNSKLLSA-N	304.434	3.135	10	20	DGCD	
C[C@@H](NC(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1	145443837	UXXYPEUYQWITKM-OAHLLOKOSA-N	310.397	3.014	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)CCc2ccncc2)c1O	194824808	ZLVPOYXCGUQLFE-UHFFFAOYSA-N	318.804	3.318	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCCOC1	194437346	GOUZVZZVBOXOBF-CQSZACIVSA-N	318.442	3.312	10	20	DGCD	
Cc1ccc([C@@H](C)NCC2(C(=O)N(C)C)CCCC2)c(O)c1C	273571672	KVLXMAGQXRQWQY-OAHLLOKOSA-N	318.461	3.308	10	20	DGCD	
C[C@@H](NCC1(O)CCCCCC1)c1cc([N+](=O)[O-])ccc1O	273565987	JMMFRHAZKYQDHF-GFCCVEGCSA-N	308.378	3.036	10	20	DGCD	
Cc1nn(C)cc1[C@H]1CCCN1Cc1cccc(Cl)c1O	378444363	PTBDVKOYPWOYJW-OAHLLOKOSA-N	305.809	3.425	10	20	DGCD	
O=C(CC1CC(c2ccccc2)C1)NCc1ccc(O)c(O)c1	282866298	UPWCVISHPKWXFY-UHFFFAOYSA-N	311.381	3.298	10	20	DGCD	
CC[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(F)cc1O	290243976	JIZUDAIZFAKBNX-HDMKZQKVSA-N	317.360	3.067	10	20	DGCD	
COC1(CN[C@H](C)c2cc(Cl)cc(C)c2O)CCOCC1	808708387	LPFNKOJORLKNQZ-GFCCVEGCSA-N	313.825	3.200	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc2oc(S)nc2c1	816889169	OOVUYAXMMJRYQE-UHFFFAOYSA-N	314.366	3.094	10	20	DGCD	
CCC[C@@H](C)CC(=O)N(CC(=O)OCC)Cc1ccccc1O	819696110	LPPVVJRUEAJKJE-CQSZACIVSA-N	321.417	3.110	10	20	DGCD	
C[C@@H](NC[C@@H]1NCCc2ccccc21)c1cc(F)ccc1O	817973370	DSHGVEVXCYEIFZ-PXAZEXFGSA-N	300.377	3.069	10	20	DGCD	
COCC1(CN2CCCN(c3ccc(OC)cc3)CC2)CCC1	812823606	GRGIMDCLLVTRNF-UHFFFAOYSA-N	318.461	3.024	10	20	DGCD	
CC(C)C[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	817997470	QJDYALIFPMWADY-GFCCVEGCSA-N	317.458	3.481	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)CCc3ccncn3)cc12	817761021	JXGXOVXTZOPFNP-UHFFFAOYSA-N	309.369	3.123	10	20	DGCD	
CCOCc1cc(CNCCC[C@H]2CCOC2)ccc1OC	825133526	IUXGDRGZPCNREP-HNNXBMFYSA-N	307.434	3.138	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)COc2ccccc2)c1O	728781913	JEQAXQSGOQLLAZ-AWEZNQCLSA-N	301.386	3.348	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)[C@@H](OC)C3CC3)CC2)cc1	825099382	YNOUWUOMGASPPX-IFXJQAMLSA-N	318.461	3.067	10	20	DGCD	
CCN(Cc1ccsc1C(=O)O)c1ccc(OC)c(OC)c1	829734837	PFKXDVWESGWRAL-UHFFFAOYSA-N	321.398	3.490	10	20	DGCD	
C[C@@H]1CCN(C(=O)c2cccc3c2CCNC3)c2c(O)cccc21	662809594	RCLFPKPNRUSMAW-CYBMUJFWSA-N	322.408	3.192	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1CSc2ccccc21	735579393	GHJJVEPZMBPJTC-ZDUSSCGKSA-N	300.383	3.038	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H]1CCCCO1	839918931	DRLGOHQBMHFOJN-QAPCUYQASA-N	318.461	3.067	10	20	DGCD	
CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@@H](C)O	836860670	YVBXXXYZXGUDGP-CXAGYDPISA-N	318.392	3.122	10	20	DGCD	
Cc1cccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1	839916549	VJKNBUAKBDIADV-OAHLLOKOSA-N	311.429	3.125	10	20	DGCD	
COC[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	838558891	HQXBWCIHLRHLDL-WMLDXEAASA-N	319.449	3.024	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1cc(F)ccc1O)Cc1ccccc1	834857054	YLDBOEYZJBXBFF-CZUORRHYSA-N	303.377	3.440	10	20	DGCD	
CC[C@H](NCc1ccc(CN)cc1F)c1ccc(F)cc1O	844925855	VWCLYWSBAUBYAS-INIZCTEOSA-N	306.356	3.370	10	20	DGCD	
Cc1ccccc1C1(CNC(=O)NCCc2ccc(N)cc2)CC1	841778787	HKPCSGFZNZZQFK-UHFFFAOYSA-N	323.440	3.151	10	20	DGCD	
CCOc1cccc(CNc2cccc(CCC(=O)O)c2)c1O	840998190	TVGQJPCURSKTMD-UHFFFAOYSA-N	315.369	3.420	10	20	DGCD	
CCOc1cccc(CNC[C@@H](O)[C@@H](C)c2ccccc2)c1O	850412267	VICIHGLBJAZJGX-WMLDXEAASA-N	315.413	3.045	10	20	DGCD	
CCC1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1	751246391	OZOYPSOHIVIMOG-HNNXBMFYSA-N	316.445	3.281	10	20	DGCD	
COC[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	755173215	GLFLPMKCOWJQSU-HNNXBMFYSA-N	306.450	3.162	10	20	DGCD	
CCOc1ccc(N(CC)Cc2onc(C)c2[N+](=O)[O-])cc1	851830573	ZSLNFTUXCQTRSQ-UHFFFAOYSA-N	305.334	3.316	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cc(F)cc(F)c1O	850500813	GOUKJJDWISMHAW-BIPKQBFHSA-N	317.401	3.011	10	20	DGCD	
CCO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	858341664	KCGVUZMTYAYGJG-GOSISDBHSA-N	316.445	3.059	10	20	DGCD	
CCn1cc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)nn1	850366321	SIRORORPJUQQOU-UHFFFAOYSA-N	323.444	3.304	10	20	DGCD	
Cc1cc(NS(=O)(=O)Cc2cccc(Cl)c2)ccc1O	753017047	RXUOIDCSCWDEJT-UHFFFAOYSA-N	311.790	3.296	10	20	DGCD	
CN(C)c1ccc(CNc2nnc([C@@H]3CCCO3)s2)cc1	865296212	TXQPQYMVOUWVRS-ZDUSSCGKSA-N	304.419	3.068	10	20	DGCD	
CC(C)=CC[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	864528025	JTCYDTOEMFUYMA-NSHDSACASA-N	301.745	3.084	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H](CO)c1ccc(Cl)cc1	877533988	YVHRSYUZPMTMBT-AWEZNQCLSA-N	305.805	3.220	10	20	DGCD	
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(O)c1O	776347262	AGBFWNDORVVNDK-OAHLLOKOSA-N	317.360	3.234	10	20	DGCD	
COc1ccc(CNCCc2ccc(F)cc2F)c(O)c1OC	1120025788	QNUSNBVSCJEBOJ-UHFFFAOYSA-N	323.339	3.020	10	20	DGCD	
CC[C@H](NCc1ccc(OC)c(OC)c1O)c1c(C)noc1C	893239201	QWCAOEKPYHDGDU-ZDUSSCGKSA-N	320.389	3.255	10	20	DGCD	
COc1ccc(CN2CC[C@H](c3ccccc3)C2)c(O)c1OC	891629107	AODJQMJYLMLBAF-HNNXBMFYSA-N	313.397	3.399	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(CC2CC2)C2CCC2)cc1F	792951552	HQMWDEFHYSLYDL-UHFFFAOYSA-N	319.424	3.366	10	20	DGCD	
CO[C@H]1CCN(Cc2c(O)cccc2Br)[C@H](C)C1	707145876	JXXXQSSRYVBIEZ-MNOVXSKESA-N	314.223	3.154	10	20	DGCD	
COc1ccc(CNCCCc2ccc3c(c2)CCO3)c(O)c1	795989178	FDDDCPCWFUITPI-UHFFFAOYSA-N	313.397	3.058	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](C)CN1C	775987672	VZQRUYNTGBPJGI-UWVGGRQHSA-N	303.233	3.223	10	20	DGCD	
CCN1C[C@@H](C)N(Cc2ccc(N3CCCC3)cc2)C[C@@H]1C	1319713251	VLSSJPSWGVDVJA-DLBZAZTESA-N	301.478	3.201	10	20	DGCD	
COc1ccc(CNC(C)(C)c2cccs2)c(O)c1OC	1342947087	KLGWENKCSAHYRA-UHFFFAOYSA-N	307.415	3.496	10	20	DGCD	
O=C(O)c1cnc(SCc2ccc3nccnc3c2)s1	1602537595	WVIHXQDHIYPYJD-UHFFFAOYSA-N	303.368	3.077	10	20	DGCD	
CC(C)[C@@H]1C[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1	1575831505	XASSTLGTZSNRKG-UONOGXRCSA-N	315.442	3.090	10	20	DGCD	
CC1C[C@@H]2CC[C@H](C1)N2c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1594293562	WIDCKYCQEYNAST-FWIQVWCCSA-N	316.357	3.460	10	20	DGCD	
CCc1cccc(CN2CCc3c(cccc3C(=O)O)C2)c1O	1597586756	JQXFSROVGUOLHU-UHFFFAOYSA-N	311.381	3.211	10	20	DGCD	
Cn1ccc(/C=C2/SC(=S)N([C@@H]3C[C@H]4CC[C@@H]3C4)C2=O)c1	160312163	IPYGRALARVKFOW-FJORYOPESA-N	318.467	3.415	10	20	DGCD	
Cc1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)s1	115281641	ZPRIPDJQYRNSMR-UHFFFAOYSA-N	303.431	3.064	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC=CCC2)c1	103611363	KFNMDKFDFRGFOU-CHWSQXEVSA-N	304.390	3.117	10	20	DGCD	
CN(C)c1ccc(CNc2ncnc3c2cnn3C(C)(C)C)cc1	301842890	QVAWRSWOCWKSRZ-UHFFFAOYSA-N	324.432	3.259	10	20	DGCD	
OCC[C@H]1CCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	189989393	AZHJXBQJOWWIFO-MJGOQNOKSA-N	302.462	3.318	10	20	DGCD	
C[C@@H](NC[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O	183633802	JJXAZJNFMUQFJJ-DOMZBBRYSA-N	320.433	3.346	10	20	DGCD	
COc1ccc([C@H](O)CN[C@@H](C)c2ccc(C)cc2O)cc1	184948817	KQTVFQDLGZFMBV-SCLBCKFNSA-N	301.386	3.093	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccc(F)c1F	87299386	BDGNKDRYAXACIV-UHFFFAOYSA-N	318.367	3.198	10	20	DGCD	
COC(=O)c1sccc1CN(C)c1ccc(OC)cc1OC	132237974	CXQXGTWUXHKEOZ-UHFFFAOYSA-N	321.398	3.188	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1c(F)cccc1Br	195166570	SNFNVGMTIBDNMH-YWEYNIOJSA-N	318.192	3.077	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCO[C@@H](c2ccco2)C1	191428864	ZBKSFKKGSQYETH-CQSZACIVSA-N	311.740	3.351	10	20	DGCD	
CCCCOc1ccc(C(=O)NCCc2ccc(N)cc2)cc1	236672987	UFNURBXWLCGRTL-UHFFFAOYSA-N	312.413	3.420	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H]3OCCC[C@H]3C2)c1O	248890281	RYDHCBMZDNAAAC-SMDDNHRTSA-N	311.809	3.055	10	20	DGCD	
CC[C@H](N[C@H]1CCN2CCC[C@@H]2C1)c1ccc(N(C)C)cc1	363792857	OROXUJWLBWYLLU-UHOSZYNNSA-N	301.478	3.420	10	20	DGCD	
C[C@H](NC[C@@H](O)CCc1ccccc1)c1cc(F)ccc1O	273418549	IYWMACVZZCKONG-BBRMVZONSA-N	303.377	3.176	10	20	DGCD	
CC[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccccc1O	274769498	MGKKALSCJULUHH-INIZCTEOSA-N	311.385	3.485	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cccc(N(C)C)c2)c1	271854002	RYLAHIPKQFWYIL-CYBMUJFWSA-N	300.402	3.318	10	20	DGCD	
CC[C@@H](NC[C@@H](C)Cn1ccnc1C)c1ccc(F)cc1O	286277443	VPBYOVMTPDWHKJ-MLGOLLRUSA-N	305.397	3.413	10	20	DGCD	
CC[C@H](N[C@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1O	376861888	VKPWYYGIFNNLNK-FZMZJTMJSA-N	305.809	3.367	10	20	DGCD	
C[C@H](CCCO)CNCc1ccc(N(C)C)cc1C(F)(F)F	294738097	GXLOZIVJCACZIZ-GFCCVEGCSA-N	318.383	3.270	10	20	DGCD	
COc1ccc(N(Cc2csnn2)Cc2ccco2)cc1F	809576675	YGODHFOSPHPFLY-UHFFFAOYSA-N	319.361	3.486	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2cc(Cl)c(F)cc2O)C[C@@H]1C	816515144	QTDQMNAASIYZEI-AAEUAGOBSA-N	314.832	3.489	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CCCCCC(=O)C1)c1ccc(N(C)C)cc1	813524613	DTHPTQUEUPWJCZ-HOCLYGCPSA-N	316.445	3.469	10	20	DGCD	
CN1CCC2(CCCN2Cc2cc(Cl)c(F)cc2O)CC1	816583478	LRNUEVAJNGIHII-UHFFFAOYSA-N	312.816	3.245	10	20	DGCD	
CN1CCN(c2ccc(CNc3cc(C4CC4)ccn3)cc2)CC1	810175614	PBJSPHWRPLQHLV-UHFFFAOYSA-N	322.456	3.323	10	20	DGCD	
CC[C@@H]1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	822197211	QGFVVDXERRSVIY-CRAIPNDOSA-N	316.445	3.170	10	20	DGCD	
CO[C@@H]1CCC[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F	824904413	ZTKAYFVYFSOYBP-HUUCEWRRSA-N	316.367	3.429	10	20	DGCD	
Cc1cc(O)c(CNCCCOC[C@@H]2CCCO2)cc1Cl	825065089	RUNGFYKFICBRBT-AWEZNQCLSA-N	313.825	3.029	10	20	DGCD	
COc1cc(CN2CCC[C@@](C)(O)C2)c(O)c(C(C)(C)C)c1	824849710	HDHLQPSQIUKSEC-GOSISDBHSA-N	307.434	3.045	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@H]1C=CCC1	839915823	LFORZSYGGGOHEZ-HOTGVXAUSA-N	300.446	3.465	10	20	DGCD	
O=C(NCc1ccccc1C(F)(F)F)c1cc(O)cs1	732267524	JHQUBVYBICTZNR-UHFFFAOYSA-N	301.289	3.403	10	20	DGCD	
C/C(=C/c1cccc(Cl)c1)C(=O)NCc1ccc(O)c(O)c1	588401084	AQCSERNYKGSXEF-XFFZJAGNSA-N	317.772	3.471	10	20	DGCD	
CCN1CCC[C@H](N[C@H](C)c2ccc3ccccc3c2O)C1=O	903391921	JGQUILAROOBZHZ-DYVFJYSZSA-N	312.413	3.207	10	20	DGCD	
CC1(C)[C@@H](NCc2cc(F)cc(F)c2O)C[C@H]1CCC(=O)O	904023250	IGRZXGMJGABNNA-MFKMUULPSA-N	313.344	3.040	10	20	DGCD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N)cc1	837302986	PBRPIUPQRJFJQZ-OLMNPRSZSA-N	318.461	3.362	10	20	DGCD	
CCN(C)c1ccc(CN(CCOC)Cc2ccco2)cc1	741752596	BOGRHRNPBASXIT-UHFFFAOYSA-N	302.418	3.384	10	20	DGCD	
COc1cc(CN2C[C@H](C)OC3(CCCC3)C2)c(O)cc1C	842644222	DUXVQVZGLUQYKO-AWEZNQCLSA-N	305.418	3.243	10	20	DGCD	
CCCn1c(CNCCc2ccc(N)cc2)nc2ccccc21	841036481	OWZOZCWVBXSKCG-UHFFFAOYSA-N	308.429	3.361	10	20	DGCD	
CSCCCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840306534	VXSOCDXZGLRUQR-CQSZACIVSA-N	323.506	3.044	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C2CC3(CCC3)C2)cc1	844856680	MICYYUVALSXFFG-UHFFFAOYSA-N	316.445	3.170	10	20	DGCD	
CCOCc1cc(CNC[C@@H]2CCN(C(C)C)C2)ccc1OC	747852775	GFXBUAWMYDKMNY-KRWDZBQOSA-N	320.477	3.052	10	20	DGCD	
CCn1ncc2ccc(NC(=O)NCc3ccccc3O)cc21	748443002	JVQGWDUNDMMQOI-UHFFFAOYSA-N	310.357	3.084	10	20	DGCD	
CCc1cccc(CNC[C@@H](c2ccsc2)N(C)C)c1O	848893218	TVRFZHKDRFHWLG-INIZCTEOSA-N	304.459	3.409	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)[C@H](C)CC(C)C)cc1OC	920418572	MDUAFAXWDJKYGH-CQSZACIVSA-N	322.449	3.033	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)COCc1ccccc1	750861797	HXUORWWDVBGYJJ-UHFFFAOYSA-N	313.397	3.348	10	20	DGCD	
CCn1ccnc1[C@@H](C)NCc1cc(F)c(N(C)C)cc1F	858172211	MYYJUEYWZJFZEI-LLVKDONJSA-N	308.376	3.098	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccccc2CO)c2c(O)ccc(F)c21	756459502	ORKDJHMXMWKENR-ABAIWWIYSA-N	301.361	3.362	10	20	DGCD	
Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cccc2c1CCNC2	852841888	LWWMZQRGKGIYQJ-AWEZNQCLSA-N	322.408	3.068	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ncccc1Cl	859217513	NCIRMBICNOQHRE-UHFFFAOYSA-N	303.793	3.200	10	20	DGCD	
CCCC(O)(CCC)CN[C@H](C)c1cc(C(=O)OC)ccc1O	756591418	GKPLLZLRQXJSQR-CYBMUJFWSA-N	323.433	3.161	10	20	DGCD	
Cc1ccc(O)c(CNCc2cn(C)nc2-c2ccc(C)o2)c1	858238872	DVWBQBUAKSPNLN-UHFFFAOYSA-N	311.385	3.292	10	20	DGCD	
CSc1cc(C(=O)NCCCSc2nccs2)co1	865783167	LXJIJRSKXDCQMO-UHFFFAOYSA-N	314.457	3.370	10	20	DGCD	
Cc1ccc2ncc(CN3CCOc4cc(N(C)C)ccc43)n2c1	765654156	GAENVVPRLHBQPF-UHFFFAOYSA-N	322.412	3.108	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1O	868033825	OEIQGUPJIGODFK-RISCZKNCSA-N	300.358	3.423	10	20	DGCD	
Cc1ccc(F)c(CN(C)C(=O)c2ccc(C)c(O)c2O)c1	768333296	STFHKEWQROGUPO-UHFFFAOYSA-N	303.333	3.126	10	20	DGCD	
CCCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@@H](C)C1	1035876990	ZAFRLJNEXNYAFP-RDJZCZTQSA-N	318.461	3.130	10	20	DGCD	
C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1c(O)cccc1F	886556726	JAMMURQHAOBKMI-MLGOLLRUSA-N	300.377	3.369	10	20	DGCD	
OC[C@H](CC1CCC1)NCc1cc(Cl)cc(Cl)c1O	793323331	UFFCZJWRBMWIJV-LBPRGKRZSA-N	304.217	3.340	10	20	DGCD	
CCOc1ccc(CN2CCC(c3c[nH]nc3C)CC2)c(O)c1	793609007	MPHMOWVYQWCPIP-UHFFFAOYSA-N	315.417	3.202	10	20	DGCD	
COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1OC	794973003	VUEVLGNYHMWQQV-UHFFFAOYSA-N	314.385	3.160	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCC[C@@H]1CSC	1520738725	OTKVYMWHFMNVPQ-SNVBAGLBSA-N	324.475	3.064	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)Nc1cccc(C(=O)O)c1	1601531401	VDJZGXKRMNDLIC-UHFFFAOYSA-N	320.732	3.066	10	20	DGCD	
C[C@@H]1CSc2ccccc2N(C(=O)/C=C/[C@H]2CCCNC2)C1	1576862086	KFZRTLSSSHTGIQ-MATWNZDUSA-N	316.470	3.317	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)cc1	1776861188	MNZPRTTZQROJLQ-UOVPBQLFSA-N	316.445	3.122	10	20	DGCD	
CCCN(CCNC(=O)OC(C)(C)C)Cc1ccccc1O	177513030	YGIJSVQCPHEGEJ-UHFFFAOYSA-N	308.422	3.129	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1csc(C)n1	66096798	FUGIDOGRQUTOPJ-UHFFFAOYSA-N	304.415	3.138	10	20	DGCD	
CC(C)CCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1	172704975	SMOQWSREXDKRFG-UHFFFAOYSA-N	301.434	3.250	10	20	DGCD	
COc1cccc(CNc2c(F)cc([N+](=O)[O-])cc2F)c1O	301804271	VHWDCVZLWMSGSW-UHFFFAOYSA-N	310.256	3.199	10	20	DGCD	
CCOCc1cc(CN[C@@H]2CCOC(C)(C)C2)ccc1OC	178780198	GLKQEGWOBYYECE-MRXNPFEDSA-N	307.434	3.279	10	20	DGCD	
CCc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)o1	121307482	IINMJDSLSNEKAT-UHFFFAOYSA-N	314.429	3.311	10	20	DGCD	
CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1O	189410821	LCSPVNVMRFMKGY-BDAKNGLRSA-N	319.232	3.216	10	20	DGCD	
CC(C)OC1CCC(NCc2cc([N+](=O)[O-])ccc2O)CC1	130119524	LLOUVQZJXKCYQG-UHFFFAOYSA-N	308.378	3.126	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](N)C(C)(C)C	237217937	OKKJLPUSKPKEGP-QGZVFWFLSA-N	317.477	3.009	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1	93282000	NKGAGSHFSXKZOX-OAHLLOKOSA-N	318.461	3.075	10	20	DGCD	
C[C@@H](NCCCCNC(=O)OC(C)(C)C)c1ccccc1O	183722838	YXKZJNWMUJTIRC-CYBMUJFWSA-N	308.422	3.348	10	20	DGCD	
Oc1cc2c(cc1CNC[C@@H]1CCC3(CCCCC3)O1)OCO2	276594647	FCMVIRVYLDTXHT-AWEZNQCLSA-N	319.401	3.092	10	20	DGCD	
CCCN(Cc1cccc(OC)c1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	271214396	WGKBRNBHSLDTCJ-OLMNPRSZSA-N	319.445	3.426	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCC(=O)[C@@H]1C	279908348	MWVZLCAHTVGKEH-ZIAGYGMSSA-N	303.402	3.136	10	20	DGCD	
CC(C)c1[nH]ccc1C(=O)NCc1ccc(N(C)C)c(F)c1	285320047	WOQAEOQNGCNNMH-UHFFFAOYSA-N	303.381	3.273	10	20	DGCD	
COCCc1ccnc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	287488726	NDYXWYJFYQCGNK-NSHDSACASA-N	317.345	3.057	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1ccnn1CCCOC	282750751	GXBGTYJNMMHSQM-UHFFFAOYSA-N	317.433	3.037	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ocnc1C1CC1	289824950	UCVRUQZAQBNNJT-UHFFFAOYSA-N	312.369	3.066	10	20	DGCD	
CCOCc1cc(CNC(CC)(CC)CCO)ccc1OC	282878501	CLUPLSXPFAHNSR-UHFFFAOYSA-N	309.450	3.263	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2cccc(O)c21	297938504	XZUWSSUAZUYJKH-CQSZACIVSA-N	314.341	3.086	10	20	DGCD	
CC[C@H](NCc1cccc(C(N)=O)c1)c1cccc(Cl)c1O	806129438	FZNYSJYDHSJNSS-HNNXBMFYSA-N	318.804	3.385	10	20	DGCD	
CC[C@H](N[C@H](C)C[S@](C)=O)c1ccc(C(F)(F)F)cc1O	810234471	DKGCDIQLSVNZKL-KHUFEXMSSA-N	323.380	3.219	10	20	DGCD	
CCc1nn(C)c(Cl)c1CN[C@H](C)c1cc(OC)ccc1O	813331508	QDKBJHSZQYZWDW-SNVBAGLBSA-N	323.824	3.201	10	20	DGCD	
Cc1ccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2C)c(O)c1O	813523012	CILJYNPPQVIGMM-UHFFFAOYSA-N	323.352	3.357	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN2CC[C@@](C)(O)C2)cc1	823476966	FURDMUPEKGGILU-GOSISDBHSA-N	316.470	3.341	10	20	DGCD	
C[C@@H](NC(=O)CCc1cccc(N(C)C)c1)c1ccccc1O	827946999	XSPSOKGGRPYJCU-CQSZACIVSA-N	312.413	3.268	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)C[C@](C)(O)c1ccccc1	822515952	FYSUKPQQLANRIY-KRWDZBQOSA-N	305.805	3.385	10	20	DGCD	
CN(Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccc1O	824593159	LSJWYOSLUGQTPX-SFHVURJKSA-N	313.397	3.192	10	20	DGCD	
Cc1cncc(/C=C/C(=O)N(C)c2cnc3ccccc3n2)c1	493359758	XAADTIDELKZKHI-BQYQJAHWSA-N	304.353	3.009	10	20	DGCD	
O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc(O)cs1	735536925	UHNGYUVCGCWRHK-UHFFFAOYSA-N	313.718	3.372	10	20	DGCD	
CCn1ccnc1[C@H](C)NCc1cc(Cl)cc(OC)c1O	825005889	UVEYIHFWZQAFQN-JTQLQIEISA-N	309.797	3.121	10	20	DGCD	
c1cc(COc2ccc(N3CCCC3)cc2)cc(-c2nn[nH]n2)c1	826516425	KPSZSBJZFLWSEO-UHFFFAOYSA-N	321.384	3.046	10	20	DGCD	
CCOc1ccc(N(C)Cc2cc(C(=O)OC)c(C)o2)cc1	739922310	GMGIXRRHQSIIFO-UHFFFAOYSA-N	303.358	3.410	10	20	DGCD	
COc1ccc(CNCc2c(O)cccc2Cl)cc1[N+](=O)[O-]	733326000	COPLWZGNSSQLKG-UHFFFAOYSA-N	322.748	3.252	10	20	DGCD	
Cc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2C)c1	734518679	HVLWXCVFVHVSKV-UHFFFAOYSA-N	311.429	3.369	10	20	DGCD	
Cc1ccccc1CC1CN(Cc2cc3c(cc2O)OCO3)C1	839132004	UMLVOHAYRLGNKE-UHFFFAOYSA-N	311.381	3.104	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCC[C@H]2CCC(=O)O)c1	903695001	MBJKVGDJUDNRPG-AWEZNQCLSA-N	307.390	3.010	10	20	DGCD	
CCC1(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CCCCC1	832283773	BKDWMGYQFXJMKH-QGZVFWFLSA-N	317.477	3.229	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1cc(F)ccc1O)Cc1ccccc1	834857055	YLDBOEYZJBXBFF-XJKSGUPXSA-N	303.377	3.440	10	20	DGCD	
O=C(CCCOc1cccc(F)c1)NCc1ccccc1O	748346440	XHWFQJKFTTVMGS-UHFFFAOYSA-N	303.333	3.007	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C(F)(F)F	742589539	QCTJLXLMYZSCLW-LBPRGKRZSA-N	314.351	3.492	10	20	DGCD	
Cc1ccc([C@H](CNC(=O)Nc2ccc(N)cc2)N(C)C)cc1	841301362	MMUTXXIVLZBUAW-KRWDZBQOSA-N	312.417	3.002	10	20	DGCD	
CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CCO1	841296251	RWEMNHPXVDAGPE-HZPDHXFCSA-N	305.422	3.374	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@@H](C)C1CC1	840488102	JIOFOASOPVYSFG-CABCVRRESA-N	317.477	3.432	10	20	DGCD	
Nc1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1	841296141	PCYDKNVWQSAMJJ-IRXDYDNUSA-N	311.385	3.311	10	20	DGCD	
CC[C@@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	840881663	PHIJIAKMYLBVJQ-SUMWQHHRSA-N	321.367	3.487	10	20	DGCD	
COc1cccc(O)c1CNCCC[C@@H]1CC1(Cl)Cl	846102294	LMFPNRYCBJOOSO-SNVBAGLBSA-N	304.217	3.464	10	20	DGCD	
Cc1ccc([C@@H](C)CNC(=O)NCCc2ccc(N)cc2)cc1	841830116	FIWKCBLUZZWXGD-HNNXBMFYSA-N	311.429	3.223	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c(O)c1	840392912	QQMOMQGBCGOCQQ-CZUORRHYSA-N	318.417	3.026	10	20	DGCD	
O=C(O)CC1(CNCc2ccc(N3CCCCC3)cc2)CCC1	756311276	UNIJWYIQTYNMDD-UHFFFAOYSA-N	316.445	3.412	10	20	DGCD	
Cc1ccc(CNC(=O)c2cc(O)cs2)c(OCC2CC2)c1	755859397	FKAKPOABGLMQLF-UHFFFAOYSA-N	317.410	3.481	10	20	DGCD	
COc1cc(CN[C@@H](C)Cn2ccnc2)c(O)c(C(C)(C)C)c1	850029948	FRVSCMLEFWNLRE-ZDUSSCGKSA-N	317.433	3.073	10	20	DGCD	
COc1ccc(CNCc2ccc3c(c2)CCCO3)c(F)c1	921837777	DWFXEDRBONSDQP-UHFFFAOYSA-N	301.361	3.449	10	20	DGCD	
C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1O	756787785	RTODRVPFEFIGSK-ZYHUDNBSSA-N	313.344	3.007	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H]1CCCn2nccc21	850474320	MAPBDKFONLYOIF-QAPCUYQASA-N	312.461	3.313	10	20	DGCD	
Cn1ccc(CCNCc2cc(-c3ccccc3)ccc2O)n1	760648293	HRIJVSGYZQZLDT-UHFFFAOYSA-N	307.397	3.125	10	20	DGCD	
CCC[C@@H]1[C@H](C)CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768465571	ISCJFYYHZFJIRK-SRCQZFHVSA-N	305.418	3.219	10	20	DGCD	
Cc1ccc(CNc2ccc(N3CCOCC3)cc2C)c(O)c1	876818146	MTKPXFUTJNOEGW-UHFFFAOYSA-N	312.413	3.458	10	20	DGCD	
CC(C)CO[C@@H](C)c1noc(CN[C@H](C)c2ccccc2O)n1	879648201	DPKAHNZQRGQHFZ-OLZOCXBDSA-N	319.405	3.360	10	20	DGCD	
O=C(CCCC(F)(F)F)NCCCSc1nccs1	770752287	KKXFPTVDMAXXNM-UHFFFAOYSA-N	312.382	3.474	10	20	DGCD	
Oc1ccc2c(c1)CC[C@@H](NCc1cccc(Cl)c1O)C2	775173453	RSTFQGWDEGLSRS-CQSZACIVSA-N	303.789	3.398	10	20	DGCD	
CC[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1F	776658885	YROADHDDWNARQS-ZDUSSCGKSA-N	307.296	3.257	10	20	DGCD	
C[C@H]1CN(c2ccc(CNCC3(C)CC3)cc2F)C[C@H](C)O1	785427521	ZCAQGUBGLOCGDX-KBPBESRZSA-N	306.425	3.329	10	20	DGCD	
COCc1cccc(CNCc2cc(C)cc(OC)c2O)c1	894181562	VIFLQPVNQYBFRP-UHFFFAOYSA-N	301.386	3.145	10	20	DGCD	
C[C@@H](N[C@H](CCO)Cc1ccccc1)c1ccc(F)cc1O	799729387	LILUGKGEVVGEHF-CZUORRHYSA-N	303.377	3.176	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCCCCO	790142098	BGWSMDWDAXZOIG-UHFFFAOYSA-N	320.458	3.390	10	20	DGCD	
C[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1	792953082	XJNQXTDQRVPMRU-CHWSQXEVSA-N	307.413	3.127	10	20	DGCD	
c1ccc([C@@H]2CNCCN2Cc2ccc(N3CCCC3)cc2)cc1	1210197155	XYUFXRKDWSMBDU-NRFANRHFSA-N	321.468	3.433	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)n1cccc1	1327648456	NAXFUUYFVXXAQH-INIZCTEOSA-N	311.429	3.356	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N(C)Cc1ccsc1	1342571107	WJPPPZGCGIQSFF-UHFFFAOYSA-N	320.443	3.430	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2CC(=O)O)c(O)c(C(C)(C)C)c1	1610298387	PACUYEUGDWVHDR-CYBMUJFWSA-N	321.417	3.137	10	20	DGCD	
Nc1ccc(CNC(=O)C(=O)c2cc(Cl)cc(Cl)c2)cc1	1580443491	LJFPEXPPEFUFHM-UHFFFAOYSA-N	323.179	3.075	10	20	DGCD	
CC(C)(C(=O)O)[C@H]1CCCN(Cc2ccc(Cl)cc2O)C1	1589616120	HAPAWRRZEWBLRP-LBPRGKRZSA-N	311.809	3.368	10	20	DGCD	
C[C@@H](N[C@H]1CCOC2(CCCC2)C1)c1cc(C(=O)O)ccc1O	1593234251	WSECLDSJYSEOBM-OCCSQVGLSA-N	319.401	3.233	10	20	DGCD	
CCN(CC)c1ccc(CNC2CC(CCC(=O)O)C2)cc1	1776861145	GWTWEESCSNDIDV-UHFFFAOYSA-N	304.434	3.266	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCO[C@H](C)[C@@H]3C)c2c1	164144671	UEPZTZFAPDKDGX-QWHCGFSZSA-N	301.386	3.163	10	20	DGCD	
Cc1cc(C)nc(NNC(=S)Nc2cccc(C)c2C)n1	6330796	UGDUYCGQRWHZKM-UHFFFAOYSA-N	301.419	3.024	10	20	DGCD	
COCC1CCN(Cc2c(O)ccc3ccc(OC)cc23)CC1	112331982	FKQDJZCVNNXFNH-UHFFFAOYSA-N	315.413	3.412	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2ccns2)C2CC2)cc1	1262592164	IQDRBGYJCVDVHD-UHFFFAOYSA-N	301.415	3.014	10	20	DGCD	
O=C(NCCCSc1nccs1)c1cc(Cl)c[nH]1	114374427	ZTTJBHYGSYQBAM-UHFFFAOYSA-N	301.824	3.037	10	20	DGCD	
CCc1ncc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)s1	65214958	JRMXUQUYDYTZBW-UHFFFAOYSA-N	317.458	3.434	10	20	DGCD	
CC[C@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	188553789	RITAOGBMYIREOS-WFASDCNBSA-N	307.413	3.222	10	20	DGCD	
CCCOc1ccc(CNCCC2CC(OCC)C2)c(O)c1	188781736	XOHWDVCDZBZLOX-UHFFFAOYSA-N	307.434	3.476	10	20	DGCD	
COc1ccc(O)c(CN2C[C@H](C)OC[C@H]2c2ccccc2)c1	180443473	PVBMZKRVASENFX-KSSFIOAISA-N	313.397	3.363	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccnc(Cl)c2)cc1F	124489601	PZEOPYUGSCYMSA-UHFFFAOYSA-N	322.771	3.262	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccncc3Cl)CC2)cc1	75594754	OMRICTHRNSJTDK-UHFFFAOYSA-N	317.820	3.066	10	20	DGCD	
C[C@H](NCCCN1CCCC1)c1cc2c(cc1O)CCCC2	184899717	MAYIQYIBCRGEDA-HNNXBMFYSA-N	302.462	3.408	10	20	DGCD	
COc1ccc(N2CCCN(c3ncccc3Cl)CC2)cc1	88702270	IJNXMTWUAJUNCT-UHFFFAOYSA-N	317.820	3.460	10	20	DGCD	
CCOc1cccc(CNCCc2ccc(F)c(F)c2)c1O	190294653	YUGZIIFIIJJMTC-UHFFFAOYSA-N	307.340	3.401	10	20	DGCD	
COc1cc(CN(C)c2ccc(N)cc2)c(Br)cn1	1579150149	FIWSGWJPOWRFMC-UHFFFAOYSA-N	322.206	3.071	10	20	DGCD	
COc1cccc(CNC(=O)CCCc2ccc(C)s2)c1O	80023443	TVBRIQLHZHUKQN-UHFFFAOYSA-N	319.426	3.410	10	20	DGCD	
Cc1cccc(C[C@H](CO)N[C@H](C)c2ccc(N(C)C)cc2)c1	191606180	JDRJLHPNSRDGQT-VQIMIIECSA-N	312.457	3.315	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(OC)cc1O	92602164	GYRHSHRZEUEYNA-UHFFFAOYSA-N	315.369	3.159	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCOc2ccc(F)cc21	255470644	FDZGUHHTJWQXRT-KXFIGUGUSA-N	318.735	3.313	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1ccc(O)cc1	255913338	PUXLFGCNNKIFMB-JYRVWZFOSA-N	310.397	3.130	10	20	DGCD	
Cc1noc(C2(C)CCN(Cc3cc(C)c(C)cc3O)CC2)n1	360991778	XBFGSAYBVWZGQO-UHFFFAOYSA-N	315.417	3.254	10	20	DGCD	
CC(C)NC(=O)CN(C)Cc1cc(-c2ccccc2)ccc1O	271054992	YQZDBSACGICOGG-UHFFFAOYSA-N	312.413	3.016	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](CC)c2ccccc2O)[C@@]12CCCO2	364338596	BDAVBMJSUJENQV-SPUZQDLCSA-N	305.418	3.160	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCO[C@H](C)C2)c(C)n1-c1ccccc1	271397668	JPQVWKNJWKVOIM-ZBFHGGJFSA-N	312.413	3.391	10	20	DGCD	
C[C@H](NCCOCC(F)(F)C(F)F)c1cc(F)ccc1O	278186043	BVQQTYFKWQWAHE-QMMMGPOBSA-N	313.266	3.099	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@H](c3ccco3)C2)cc1F	374266978	BPEAXSOGWHSOLH-KRWDZBQOSA-N	304.365	3.058	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CCn3ccnc3C2)c1O	808715532	VLILYIHOQWRABP-WCQYABFASA-N	305.809	3.216	10	20	DGCD	
CC[C@@H](C)n1ncc(C(=O)NCc2ccc(N)cc2)c1C1CC1	296818489	AKJHEGUROZQILN-GFCCVEGCSA-N	312.417	3.244	10	20	DGCD	
COc1ccc(O)c(CN2C[C@H](C)CN(C)c3ccccc32)c1	809664944	MIQQVXYMHYZRET-CQSZACIVSA-N	312.413	3.493	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2C)SC1=S	806554450	UFUDOWOABJGVBP-XYOKQWHBSA-N	323.439	3.233	10	20	DGCD	
COc1cc(Cl)cc(CN(C)Cc2ccc(O)cc2)c1O	290527178	QJCIXNBCIJENFY-UHFFFAOYSA-N	307.777	3.392	10	20	DGCD	
COCCc1nc(C)c([C@@H](C)NCCc2ccc(N)cc2)s1	817958820	YUIKBXROIBHRGW-GFCCVEGCSA-N	319.474	3.116	10	20	DGCD	
CCCNCCN[C@@H](CC)c1cc(Br)ccc1O	817961884	FTJDKOIXXBDMOJ-ZDUSSCGKSA-N	315.255	3.195	10	20	DGCD	
COc1cc(N(C)Cc2occc2C)c([N+](=O)[O-])cc1OC	813633281	WJROYXCAQXEYKW-UHFFFAOYSA-N	306.318	3.150	10	20	DGCD	
CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1F	817039744	NFOCRKYGCBSOFT-CSKARUKUSA-N	315.344	3.302	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN[C@H]1CCN(C2CC2)C1	729681964	PJSAIXDMOVJPPK-SFHVURJKSA-N	308.425	3.386	10	20	DGCD	
CCn1ncc(C)c1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	825155967	MSJSGGPCUXEFCQ-CYBMUJFWSA-N	315.421	3.160	10	20	DGCD	
CCOc1ccc(O)c(CN2CCc3cc(OC)ccc3C2)c1	827304817	GRFXJDNGROGPCP-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
COc1cccc([C@H](C)NCc2cnn(CC3CCC3)c2)c1O	903240078	OBVDZEHZSHNWLV-ZDUSSCGKSA-N	315.417	3.248	10	20	DGCD	
C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cncs1	903448421	PBCDBRIQPWCAFZ-XJKSGUPXSA-N	318.490	3.163	10	20	DGCD	
COC[C@@H](NCc1cc(F)ccc1O)c1cccc(OC)c1	827011019	DRRQPKFEMLDGMB-MRXNPFEDSA-N	305.349	3.017	10	20	DGCD	
COC(=O)c1cc(CN[C@@H](C)c2cc(OC)ccc2O)cs1	839538788	GOAQIBGYDXTILS-JTQLQIEISA-N	321.398	3.100	10	20	DGCD	
Cc1ccc(C[C@H](CO)NCc2cccc(Cl)c2O)cc1C	835072183	CGLPNTUOXIPPRI-MRXNPFEDSA-N	319.832	3.356	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2C2CC2)c1O	831773698	RRLHOFSXAFXOSQ-OAHLLOKOSA-N	309.406	3.061	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)Cc1ccco1	734522108	WXPFKPOIPYHFJD-AWEZNQCLSA-N	315.417	3.084	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc2cccnc2[nH]1	839524123	AJGKASNPEKRPHR-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
Cc1cnc(CCN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)cn1	834908690	LGYCYWDQSMMROV-IINYFYTJSA-N	301.365	3.010	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCOc1ccc(F)c(F)c1)CC2	834639784	BJCQPNWTRHSUEQ-HNNXBMFYSA-N	305.324	3.326	10	20	DGCD	
CCOCc1cc(CNCCc2ccc(C)o2)ccc1OC	747853711	CGXSOZKCSGSWIX-UHFFFAOYSA-N	303.402	3.465	10	20	DGCD	
CCOc1ccc(CN2CC3(CCOCC3)C[C@H]2C)c(O)c1	843432119	QXZKBPOMTCIPJW-CQSZACIVSA-N	305.418	3.182	10	20	DGCD	
Nc1ccc(NC(=O)NCCCCCCCN2CCCC2)cc1	841300852	XEOPNYDDLWFQEX-UHFFFAOYSA-N	318.465	3.437	10	20	DGCD	
Cc1nn(C(C)(C)C)c(C)c1CNCCc1ccc(N)cc1	841035960	RBHANNVBFPVZBK-UHFFFAOYSA-N	300.450	3.169	10	20	DGCD	
CCN(C[C@@H](CN)c1ccc(OC)cc1)c1ccc(OC)cc1	842471746	WUFQVNSZJSNZSQ-MRXNPFEDSA-N	314.429	3.273	10	20	DGCD	
C/C(=C\c1ccco1)C(=O)NCCCSc1nccs1	847487697	IAJSNSPLWKJVQM-ZHACJKMWSA-N	308.428	3.438	10	20	DGCD	
CCc1cccc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1O	848905290	GGHJGJPEXCQRGX-NEPJUHHUSA-N	302.422	3.437	10	20	DGCD	
COc1c(Cl)cccc1NC(=O)NCc1ccccc1O	748444598	UHSUUEKSFBHMKI-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
CC1=CCCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1	840481641	KYZWXUDMFUXLBG-INIZCTEOSA-N	315.461	3.354	10	20	DGCD	
COc1cccc([C@H](C)NCCCCNc2ccccn2)c1O	846143763	HHFTVXWREBXZBR-AWEZNQCLSA-N	315.417	3.339	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)c2cc(OC)ccc2O)c1O	845972619	PWNBZQXAOQKTFN-LBPRGKRZSA-N	317.385	3.356	10	20	DGCD	
CC(C)[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1	841955280	YJYHMGJKWVMTPZ-MRXNPFEDSA-N	303.450	3.279	10	20	DGCD	
CC1(OCC(=O)NCc2ccc(N3CCCCC3)cc2)CCC1	746148273	NNMRYUBVFFSTGC-UHFFFAOYSA-N	316.445	3.252	10	20	DGCD	
CCCCN(C(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1	841135074	CQPZZSRGADZBGW-UHFFFAOYSA-N	317.433	3.169	10	20	DGCD	
CCCN(Cc1ccccc1O)c1ncc(C(=O)OCC)s1	853450883	PVHVBRKHTQPWKE-UHFFFAOYSA-N	320.414	3.442	10	20	DGCD	
CCC[C@H](O)CCNCc1cc(C)cc(Br)c1O	922820945	MTEQDXSMOFIBEL-LBPRGKRZSA-N	316.239	3.104	10	20	DGCD	
COc1cccc(CNCC(C)(C)c2ccc(C)cn2)c1O	858242674	ZIDANGDQZHTEMT-UHFFFAOYSA-N	300.402	3.172	10	20	DGCD	
CO[C@@H](C)CCN[C@H](C)c1cc(Br)cc(F)c1O	756526980	IPHCPXLLRDQBMP-DTWKUNHWSA-N	320.202	3.369	10	20	DGCD	
COc1cc(CNCCc2ccccn2)c(O)c(C(C)(C)C)c1	850006352	WRYPFHPOFJSCIX-UHFFFAOYSA-N	314.429	3.426	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@H]2CCCO2)cc1F	862360258	YWSWAUDSBQZJKU-NVXWUHKLSA-N	310.388	3.174	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC[C@H](Nc2ccccc2)C1	769250133	JJVCELUCWFGDNL-ZDUSSCGKSA-N	302.399	3.170	10	20	DGCD	
CCO[C@@H](CC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C	761539836	DSPRSVIMLVQZAJ-LRDDRELGSA-N	309.406	3.029	10	20	DGCD	
COc1ccc(N(C)Cc2cc3c(s2)CCNC3)cc1OC	873209342	KOMAMWMCFBNZGX-UHFFFAOYSA-N	318.442	3.047	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N[C@H](c1cc(Cl)c(F)cc1O)N2	877862064	GGXCVOWMNFLACP-CQSZACIVSA-N	306.724	3.347	10	20	DGCD	
CCCOc1ccc(CN[C@H](C)C2(OC)CCOCC2)cc1C	873132324	OTJKTFHAYCOCOZ-MRXNPFEDSA-N	321.461	3.458	10	20	DGCD	
COc1cc2c(cc1CNCc1ccc(C)cc1O)O[C@H](C)C2	876924353	PWUXTEKJHCUHQQ-CYBMUJFWSA-N	313.397	3.322	10	20	DGCD	
CCC(C)(C)N[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	772160573	OADMUDGNSUSUGP-OAHLLOKOSA-N	317.477	3.070	10	20	DGCD	
Cc1ccc2c(c1)N[C@@H](c1cc(Cl)cc(F)c1O)NC2=O	877864620	OYJNORUPTCIGQG-CQSZACIVSA-N	306.724	3.347	10	20	DGCD	
CO[C@]1(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)CCOC1	774359429	PLQGXMBIXLBHHL-XPTSAGLGSA-N	320.216	3.155	10	20	DGCD	
C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCO1	776342434	GPRNRJWSGKQXHA-WBVHZDCISA-N	316.445	3.108	10	20	DGCD	
Cc1ccccc1CN1CCN(Cc2cc(F)ccc2O)CC1	778994926	LJCJONMQQNCPRX-UHFFFAOYSA-N	314.404	3.158	10	20	DGCD	
Cc1cccc(C[C@H](CO)N[C@@H](C)c2c(O)cccc2F)c1	886596533	HOCDMLQXECUSJM-DZGCQCFKSA-N	303.377	3.094	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1nnc(C(C)C)s1	774042413	DJZICZKXXHNEIL-UHFFFAOYSA-N	319.430	3.420	10	20	DGCD	
Cc1cc(NS(=O)(=O)[C@H]2C[C@@H]2c2cccc(F)c2)ccc1O	882709708	UDBUCBDEHHWIKZ-ZBFHGGJFSA-N	321.373	3.138	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@@H](Oc3ncccc3F)C2)c1	787289176	FNPYYWRZCRYSID-OAHLLOKOSA-N	316.376	3.278	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC(C)(C)C1	780872517	CCINRHVHWVQLMU-UHFFFAOYSA-N	303.450	3.330	10	20	DGCD	
C[C@@H](CCOCc1ccccc1)NC(=O)Nc1ccc(N)cc1	390116261	CMEKDWRPJFAIPL-AWEZNQCLSA-N	313.401	3.386	10	20	DGCD	
Cn1ncc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	790087330	RTQNHPFLNCGHQD-UHFFFAOYSA-N	306.329	3.483	10	20	DGCD	
COc1cccc(O)c1CNCc1c(Cl)cccc1OC	790997829	WKSABFPEHMDTJL-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
CN(C)c1ccc(CNc2ccc3nc(O)n(C)c3c2)cc1F	799740090	IYDOHZWJDSAQMK-UHFFFAOYSA-N	314.364	3.096	10	20	DGCD	
COCC(C)(C)CNCc1cc(Br)cc(F)c1O	715747265	YUAXKPWXTJZITQ-UHFFFAOYSA-N	320.202	3.056	10	20	DGCD	
COc1ccc(CN[C@@H]2CCCC[C@H]2NC(=O)C(C)C)cc1C	1085136637	GDBJVTUYQJSGGI-IAGOWNOFSA-N	318.461	3.177	10	20	DGCD	
CC(C)[C@@H](O)C1(CNCc2ccc(N3CCCC3)cc2)CC1	1319953848	LORXIRIHTSIOPZ-GOSISDBHSA-N	302.462	3.174	10	20	DGCD	
OC[C@H](C1CC1)[C@H](NCc1ccc(N2CCCC2)cc1)C1CC1	1324376642	CHJRCSAMOOVLPC-WOJBJXKFSA-N	314.473	3.174	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC1(N)CCCC1	1579674115	NCCCZPAUPUIFSR-UHFFFAOYSA-N	317.458	3.157	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](C(=O)O)C(C)(C)CC)ccc21	1776875272	ULUZMTAIHJWVIK-KRWDZBQOSA-N	318.461	3.438	10	20	DGCD	
CCCCNC(=O)[C@H]1CCCN(Cc2cc(C)cc(C)c2O)C1	164231848	KPJBCVNIGDSAFI-INIZCTEOSA-N	318.461	3.137	10	20	DGCD	
Cc1cccc(C)c1C(=O)NCc1ccc(N(C)C)c(F)c1	151712482	WSKXINOSNBYAQH-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
Cc1cccc(O)c1CNCC[C@H](C)NC(=O)OC(C)(C)C	877023517	UYAOQUGMUGUDMG-ZDUSSCGKSA-N	308.422	3.094	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(C)cs2)c1	103503264	PQWDBKOMRJUKKK-VIFPVBQESA-N	307.375	3.048	10	20	DGCD	
COC(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1	55463157	AGAWFAQTRWRVAN-UHFFFAOYSA-N	324.380	3.326	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)NC(C)(C)CC	174372614	HQBQRGSWBZLNQY-AWEZNQCLSA-N	306.450	3.298	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(C)cc2)c1	114590089	IMCSROZFSRGGHZ-ZDUSSCGKSA-N	314.385	3.270	10	20	DGCD	
CC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	128620741	GUVFLFQJLLOZQR-ZDUSSCGKSA-N	312.413	3.500	10	20	DGCD	
C[C@@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1O	186137035	ROJDQMRYXHRTCR-PVXIVEMSSA-N	311.422	3.237	10	20	DGCD	
Cc1ccccc1CCNC(=O)NCc1ccc(N(C)C)cc1	31727233	RNLOCXNTGZSWPY-UHFFFAOYSA-N	311.429	3.103	10	20	DGCD	
CCOc1ccc(O)c(CN2CCc3c(cccc3OC)C2)c1	180782801	XWSVEQPWPUEPHA-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCC(=O)NC2CCCCC2)c1	185090993	BURWSRRPSKHHHF-AWEZNQCLSA-N	304.434	3.190	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H](CO)Cc2c[nH]c3ccccc23)c1	185464139	BWUFORWYRUTNCC-HOCLYGCPSA-N	324.424	3.436	10	20	DGCD	
c1ccc2c(c1)ncn2CCCNCc1ccc2c(c1)CCO2	79249367	VOWSWEOCWDGDDJ-UHFFFAOYSA-N	307.397	3.151	10	20	DGCD	
OCCN(Cc1cc(F)ccc1O)[C@H]1CCc2ccccc21	180152903	YHSPSLBFKJFNOI-KRWDZBQOSA-N	301.361	3.013	10	20	DGCD	
C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(O)c2O)C1	193104488	IYSHBOGNHBHEHA-ABAIWWIYSA-N	315.344	3.460	10	20	DGCD	
CC(C)[C@H](C)N(C(=O)NCc1ccc(N(C)C)cc1)C1CC1	86153303	VXLCSQHRGXSKQQ-AWEZNQCLSA-N	303.450	3.471	10	20	DGCD	
Cc1cncc(CNC(=O)NCc2c(C)c3ccccc3n2C)c1	349798634	GCUQCULZPQYWQQ-UHFFFAOYSA-N	322.412	3.190	10	20	DGCD	
C[C@H](NC[C@@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1O	278332580	WNZYDVOJKAGDLS-XUOSJQGZSA-N	318.122	3.273	10	20	DGCD	
CN1[C@H]2CC[C@H]1CC(NCc1ccc(N3CCCCC3)cc1)C2	278755723	ODDDIWSGPRRXCG-PMACEKPBSA-N	313.489	3.392	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCc2nccn2C)c1O	275376081	WSFXMNMBTXFYGP-JTQLQIEISA-N	324.222	3.047	10	20	DGCD	
COC(=O)Nc1ccc(CCN[C@@H](C)c2ccccc2O)cc1	272928634	ZEVMBWJGEZPUEE-ZDUSSCGKSA-N	314.385	3.464	10	20	DGCD	
COc1ccc(C[C@@H](C)NCc2ccccc2O)c(C)c1OC	286244085	UBPTZHZYRHTVHE-CYBMUJFWSA-N	315.413	3.439	10	20	DGCD	
Cc1cccc(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1O	281133943	NSALAJOHZOBCNA-QGZVFWFLSA-N	324.424	3.186	10	20	DGCD	
CCCC[C@@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	282227233	ZEBHDQGJKDBMPP-MRXNPFEDSA-N	318.461	3.308	10	20	DGCD	
Nc1nc(Cl)cc(NCc2cc(Cl)cc(Cl)c2O)n1	808089283	KEMLWUIYIZDAHG-UHFFFAOYSA-N	319.579	3.337	10	20	DGCD	
CCc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1F	804267105	VUODCJYATZHBDF-XBXARRHUSA-N	301.317	3.451	10	20	DGCD	
COCCN(Cc1ccccn1)Cc1cc(Cl)ccc1O	809734559	JLNQZSGXZPOHPZ-UHFFFAOYSA-N	306.793	3.089	10	20	DGCD	
Cc1c(CNC(=O)c2cccc3c2OCO3)n(C)c2ccccc12	471228642	ZGPAJVOMKFYSFV-UHFFFAOYSA-N	322.364	3.145	10	20	DGCD	
COc1cccc(CNCc2cc(F)cc3cccnc23)c1O	809740275	RVNPNXJMTQKAHO-UHFFFAOYSA-N	312.344	3.378	10	20	DGCD	
C[C@@H](NC(=O)c1ccnc2ccncc12)c1ccc(N(C)C)cc1	807274207	LETMCMSMQFMHAA-CYBMUJFWSA-N	320.396	3.187	10	20	DGCD	
COC[C@H](CC(C)C)NC[C@H]1CCN(c2ccc(OC)cc2)C1	818345245	SKNWILWCOVQIEH-SJORKVTESA-N	320.477	3.172	10	20	DGCD	
CCN1CCCC[C@@H]1CNCc1cc(Cl)c(F)cc1O	816550551	USXNOWCLFBOXAF-GFCCVEGCSA-N	300.805	3.149	10	20	DGCD	
CC(F)(F)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	815147470	WMLZOQGIWVYNDM-UHFFFAOYSA-N	313.348	3.330	10	20	DGCD	
CC[C@@H](NC[C@H](C)N(C)C)c1ccc(C(F)(F)F)cc1O	810216341	SZLQRDYUETZFQD-GXFFZTMASA-N	304.356	3.402	10	20	DGCD	
CC1(C)CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1	819168140	LTFWVSLHXFPLBR-AWEZNQCLSA-N	316.401	3.125	10	20	DGCD	
COc1cc(C)c([C@H](C)NCCc2ccc(N)cc2)cc1OC	817956342	WSGUKQYMXLYPQH-AWEZNQCLSA-N	314.429	3.488	10	20	DGCD	
COc1cc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c([N+](=O)[O-])cc1OC	814922467	JVSUPGDFSCRDAM-ZDEQEGDKSA-N	318.373	3.094	10	20	DGCD	
CC(=O)NCC[C@H]1CCCN(Cc2cc(Cl)c(C)cc2O)C1	825939757	GUWCXOVNZPNEBY-CQSZACIVSA-N	324.852	3.092	10	20	DGCD	
CC/C=C/CNCc1cc(Br)cc(OC)c1O	824703242	YNANWLXRJPYOAB-SNAWJCMRSA-N	300.196	3.219	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@H](N(C)c3ccccc3)C2)c1	827544510	CSKUFFIHHSMPOE-KRWDZBQOSA-N	312.413	3.112	10	20	DGCD	
C[C@@H](NC(=O)CCCC(=O)C1CC1)c1ccc(N(C)C)cc1	828862076	UAWOVJRVVNECSO-CYBMUJFWSA-N	302.418	3.079	10	20	DGCD	
Cc1cc(CN2CC[C@@](C)(C(=O)O)C2)c(O)c(C(C)(C)C)c1	832883638	XLXSUSCXRHFASE-GOSISDBHSA-N	305.418	3.295	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC1(C)C	732892718	GEQFWSPSYAPSJA-OAHLLOKOSA-N	303.450	3.330	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NCc2ccc(N(C)C)c(F)c2)C1	733325270	HKVPUOXERXMMLD-OWCLPIDISA-N	321.484	3.348	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2ccn(C)n2)cc1F	839190163	CXVKTTYGAJTVFX-ZDUSSCGKSA-N	304.413	3.256	10	20	DGCD	
CC[C@H](NC[C@H]1CCOC[C@@H]1OC)c1cc(Cl)ccc1O	834880524	IZQFNRMSBGQLOM-WPGHFRTFSA-N	313.825	3.138	10	20	DGCD	
CN(C)c1ccc(CNCCN2CCc3ccccc32)cc1F	733325635	OKUDUICJTUZDBN-UHFFFAOYSA-N	313.420	3.044	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC(C)(F)F)cc1	836481065	IEYDGYHGKWMJEK-UHFFFAOYSA-N	313.392	3.329	10	20	DGCD	
CO[C@H](CNC(=O)c1cc(O)cs1)c1cccc(Cl)c1	743756712	JYHRCWGDKKYJIO-GFCCVEGCSA-N	311.790	3.225	10	20	DGCD	
C[C@H](NCc1nccc(C(F)(F)F)n1)c1cc(F)ccc1O	840869649	NMKRRYAUYOSBCW-QMMMGPOBSA-N	315.270	3.191	10	20	DGCD	
CCON(C(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)C	844078897	KLUHUQWNYVSNDZ-UHFFFAOYSA-N	301.390	3.291	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NOC1CCCC1	840344044	WYBFGZOVJFVNOH-AWEZNQCLSA-N	319.449	3.165	10	20	DGCD	
Cc1ccccc1[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	841956808	JBUXRISHAFQWNG-KRWDZBQOSA-N	323.440	3.319	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H]2OCCc3ccccc32)c1O	846150979	QYFQLMOCMZLUCR-ACJLOTCBSA-N	313.397	3.365	10	20	DGCD	
Cc1c(C(=O)NCc2cc(Cl)ccc2O)cnn1CC(C)C	846473480	LPXNXLZICWGQHZ-UHFFFAOYSA-N	321.808	3.137	10	20	DGCD	
CCCCSCC(=O)NCc1c(O)ccc2c1CCCC2	743718868	SPXPPPWPYKGIEJ-UHFFFAOYSA-N	307.459	3.421	10	20	DGCD	
CC1CCN(C[C@@H](C)N[C@H](C)c2cc(F)cc(F)c2O)CC1	850544114	TUPRETARZZTSTJ-CHWSQXEVSA-N	312.404	3.441	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCN3CCC[C@H]3C2)c2c(O)ccc(F)c21	756416033	GIIFYOKAJFILNV-CXTNEJHOSA-N	304.409	3.296	10	20	DGCD	
O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1O	758545756	BYKSUEYDDNBCDW-UHFFFAOYSA-N	323.688	3.016	10	20	DGCD	
CC(=O)Nc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	756865963	VWKMNRHVBAJKTI-JTQLQIEISA-N	315.329	3.432	10	20	DGCD	
C[C@H](N[C@H]1CCOC1)c1cc(Br)cc(Cl)c1O	756770561	WBYOGRWHQFVEQA-CBAPKCEASA-N	320.614	3.248	10	20	DGCD	
CN=[S@@](C)(=O)c1cccc(NCc2cc(F)ccc2O)c1	864014918	ZZJZYFIBUGFYAP-NRFANRHFSA-N	308.378	3.230	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2cccc(F)c2)c1	862758807	MCJNYMIJJRLRHD-ZDUSSCGKSA-N	301.361	3.335	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cn1c(=O)oc2ccccc21	766342670	YVMVMJXQQPSCRF-UHFFFAOYSA-N	310.353	3.013	10	20	DGCD	
CCO[C@H](CC(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C	761539837	DSPRSVIMLVQZAJ-MLGOLLRUSA-N	309.406	3.029	10	20	DGCD	
CCN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccoc1	876677828	VVBXHPLOJSHOFO-UHFFFAOYSA-N	314.429	3.263	10	20	DGCD	
CC[C@H](NCC1(C(N)=O)CCCC1)c1cc(Cl)ccc1O	775506479	AEADNBVHSUYJQF-ZDUSSCGKSA-N	310.825	3.132	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCCC(C)(C)C2)c1O	775109420	WJODAKQQDSOCMV-LBPRGKRZSA-N	308.378	3.367	10	20	DGCD	
C[C@H](C(=O)NCc1ccccc1O)c1cn(C)c2ccccc12	773398697	SQCVDWRAYNQOJL-ZDUSSCGKSA-N	308.381	3.304	10	20	DGCD	
C[C@@H](Nc1cccc2c1oc(=O)n2C)c1ccc(N(C)C)cc1	777264081	GUYJIGRAHPZFSJ-GFCCVEGCSA-N	311.385	3.371	10	20	DGCD	
C[C@H](NCCN1CCC1)c1ccc(N2CCCCCC2)cc1	773095364	RTHUVMBGEPXYKU-KRWDZBQOSA-N	301.478	3.423	10	20	DGCD	
C[C@H](NC(=O)N1CCCOC(C)(C)C1)c1ccc(N(C)C)cc1	776237946	KNUCGFGLEDHHKJ-AWEZNQCLSA-N	319.449	3.024	10	20	DGCD	
C/C=C/C[C@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1O	788756235	VPDNRTVSSDMBPT-MJKAUQOVSA-N	303.324	3.389	10	20	DGCD	
COc1cc(C)cc(CN[C@H](CCO)C2CCCCC2)c1O	894366203	FICMVKLJAUOPBR-MRXNPFEDSA-N	307.434	3.130	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccnc1C1CC1	784005578	ORAWGEIZFBSAQI-UHFFFAOYSA-N	309.413	3.263	10	20	DGCD	
COc1ccc(CNCc2c(C)nn(C(C)(C)C)c2C)c(O)c1	793388073	KKVCICIWLIXBGQ-UHFFFAOYSA-N	317.433	3.259	10	20	DGCD	
Cn1ccc(/C=C2\SC(=S)N(c3ccsc3)C2=O)c1	790108875	XBSGGFFRQQPNTO-WDZFZDKYSA-N	306.437	3.492	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCCCC1CCOCC1	798636970	BSYPLXJZZNPPAX-FNORWQNLSA-N	320.385	3.251	10	20	DGCD	
CC[C@@H]1CC[C@@H](C)N(c2nnc(-c3sccc3O)n2C)C1	1338089334	YDEWRQIURVGGIP-GHMZBOCLSA-N	306.435	3.264	10	20	DGCD	
CCOc1ccc(CN[C@H](C)CC(=O)OC(C)(C)C)c(O)c1	1254184013	IHPBKCHLLFKLBO-GFCCVEGCSA-N	309.406	3.001	10	20	DGCD	
CCc1cc(CN(C)Cc2cn(C)nn2)c(O)c(C(C)(C)C)c1	1350480306	QUZBAPWEFRQIER-UHFFFAOYSA-N	316.449	3.013	10	20	DGCD	
O=C(O)c1cnc(S[C@H]2CCO[C@H](c3cccnc3)C2)s1	1608978773	RABVHQNKJFXJSW-QWRGUYRKSA-N	322.411	3.249	10	20	DGCD	
COCc1cc(NCc2cc(C)ccc2O)cc(C(=O)O)c1	1599290013	WYPGYLQHDYXQAO-UHFFFAOYSA-N	301.342	3.157	10	20	DGCD	
C[C@H](NCc1nncn1C)c1ccc(N2CCCCCC2)cc1	152332359	IXHRFYQLSOHQJD-HNNXBMFYSA-N	313.449	3.046	10	20	DGCD	
CN(CC(=O)OC(C)(C)C)Cc1cc(C(C)(C)C)cc(O)c1O	152138150	MGUAXDIMGKCXSY-UHFFFAOYSA-N	323.433	3.169	10	20	DGCD	
CCS[C@@H]1CCCCN(Cc2cc3c(cc2O)OCO3)C1	153114321	MBYLSTAEUCVRJZ-CYBMUJFWSA-N	309.431	3.229	10	20	DGCD	
CC(=O)c1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2	156334771	KDKADCHUQYLXHU-UHFFFAOYSA-N	323.392	3.404	10	20	DGCD	
Cc1ccc(CNC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c(O)c1	877163942	WXFCHJZDCLJQRK-OAHLLOKOSA-N	320.433	3.094	10	20	DGCD	
Cc1ccc([C@H](O)CNCc2ccc(N(C)C)c(F)c2)cc1	113326189	ICCJATXAFWVVCK-GOSISDBHSA-N	302.393	3.023	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccncc2)c(C)n1-c1ccccn1	68029534	DUEOOKCIVXFLDB-UHFFFAOYSA-N	320.396	3.156	10	20	DGCD	
Cc1cc(CN2CC[C@H](N3CC=CC3)C2)c(O)c(C(C)(C)C)c1	172931666	YNHUWBXLCKPTHN-KRWDZBQOSA-N	314.473	3.444	10	20	DGCD	
COc1ccc(N2CCC(Nc3ncc(Cl)cn3)CC2)cc1	301483045	FUKGDKWZLFOUMB-UHFFFAOYSA-N	318.808	3.220	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc([C@H](C)O)cc2)c1	185119769	XBLSJDNAVXCFLR-OLZOCXBDSA-N	301.386	3.305	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(C)c1	189425355	AMRKIPDKSCLNBW-UHFFFAOYSA-N	305.399	3.372	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](O)c2ccc(Cl)cc2)cc1	79064703	VCNVUAOIRISDAC-KRWDZBQOSA-N	304.821	3.229	10	20	DGCD	
O=C(Cc1cccc2ccccc12)NCCc1ccc(O)c(O)c1	98074430	NOTVWPQBLHGAMI-UHFFFAOYSA-N	321.376	3.152	10	20	DGCD	
CCC(=O)Nc1ccc(NCc2cc(OC)ccc2O)cc1	236814032	XVMGVYWQGGJRSO-UHFFFAOYSA-N	300.358	3.361	10	20	DGCD	
COc1cc(O)c(CN(Cc2ccco2)C(C)C)cc1OC	271080390	INTZIRQTYOGWOZ-UHFFFAOYSA-N	305.374	3.413	10	20	DGCD	
CC[C@H](C)[C@H](C)C(=O)NCc1cccc(Br)c1O	277582078	RMEMWLKHSCZWJB-UWVGGRQHSA-N	314.223	3.453	10	20	DGCD	
CCCOc1ccc(CNCC2C[C@@H](C)O[C@H](C)C2)c(O)c1	282411437	ZCNWNIVPQFDKIZ-ZIAGYGMSSA-N	307.434	3.474	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC=CO1	802302938	WLQDRUBNKKMPMW-MRXNPFEDSA-N	318.417	3.397	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@@H]1C1CC1	807841113	SGTRPESTJLPFOU-GHMZBOCLSA-N	300.185	3.361	10	20	DGCD	
CC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	805171336	NTGSQVCHZJSKKB-UHFFFAOYSA-N	303.189	3.298	10	20	DGCD	
CC[C@@H](C)CCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819588965	BCORUKUJEUXEAT-HZPDHXFCSA-N	318.461	3.464	10	20	DGCD	
Cc1nnc(CCN[C@H](C)c2cc(Cl)cc(C)c2O)s1	810242354	ADGLKBGLRAQDBU-SECBINFHSA-N	311.838	3.407	10	20	DGCD	
CNc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1	816866848	ZCBYYXUUDCLGNW-UHFFFAOYSA-N	309.413	3.259	10	20	DGCD	
Oc1c(CNC[C@H](O)Cc2ccccc2)ccc2ccccc12	816547983	QEGVWSKVHVNKCW-GOSISDBHSA-N	307.393	3.239	10	20	DGCD	
CO[C@H](CNCc1c(O)cccc1Cl)Cc1ccccc1	824591281	TWGVGEIKJGNYHT-AWEZNQCLSA-N	305.805	3.393	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@@H](C(F)(F)F)C2)cc1Cl	824850738	PNDQZOLQMMEDON-GFCCVEGCSA-N	309.715	3.117	10	20	DGCD	
Cc1cccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1	839916548	VJKNBUAKBDIADV-HNNXBMFYSA-N	311.429	3.125	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC(F)(F)F	839917116	ZSQWDECYBQNHGE-LLVKDONJSA-N	302.340	3.061	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCC[C@@H](O)c1ccccc1	830141750	XQDVDNJDTTYWAH-QGZVFWFLSA-N	313.397	3.255	10	20	DGCD	
Cc1cc(C(=O)OC[C@@H]2CCOC2)c(C)n1-c1ccc(F)cc1	918834678	YNQKEJYHVCWTQZ-CQSZACIVSA-N	317.360	3.427	10	20	DGCD	
CN(C)[C@H](CN[C@@H]1CCc2cccc(O)c21)Cc1ccccc1	834487370	BZKVDKZCWQZLLX-ZWKOTPCHSA-N	310.441	3.142	10	20	DGCD	
C[C@@H]1CC[C@@H](C)C1NCc1ccc(N2CCOCC2)c(F)c1	749925518	XFSKMNMZALBZCW-ZIAGYGMSSA-N	306.425	3.187	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(NCC3CC3)CC2)cc1	843054227	HBBACJTXZQMJKP-UHFFFAOYSA-N	315.505	3.497	10	20	DGCD	
COCCOc1ccc(CN(C)c2ccc(OC)cc2)cc1	845999681	XNSFOXCBKGOPTL-UHFFFAOYSA-N	301.386	3.357	10	20	DGCD	
COc1cccnc1CNC(=S)Nc1ccc(C)c(C)c1	840826446	XRGQPEIXOOJOBZ-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
CO[C@H](CC(C)C)CN(Cc1ccccc1O)C[C@@H]1CCCO1	842151537	CAIRSNLPGXEIHU-ZWKOTPCHSA-N	321.461	3.434	10	20	DGCD	
CCc1cccc(CN2CCC[C@H](N3CCCC3)CC2)c1O	848888480	UZHGLJIUXCWNON-SFHVURJKSA-N	302.462	3.405	10	20	DGCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C	758320846	ZMKOERFHWOABSG-IJEWVQPXSA-N	303.450	3.377	10	20	DGCD	
CN1Cc2ccccc2[C@@H](NCc2c(O)cccc2Cl)C1	756995915	MLLAQXXTUBRISZ-INIZCTEOSA-N	302.805	3.322	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](O)COc2ccccc2)c(O)c1C	756394835	AHWUKSWOGAUOEI-JKSUJKDBSA-N	315.413	3.100	10	20	DGCD	
CCOc1ccc(O)c(CNCCc2nc3c(s2)CCC3)c1	922715844	WAHQIWGCBDIGGR-UHFFFAOYSA-N	318.442	3.068	10	20	DGCD	
C[C@H]1C[C@@H](NCc2c(C3CC3)cnn2C)c2c(O)ccc(F)c21	850535599	XRRHKDLLUYEDOC-IINYFYTJSA-N	315.392	3.480	10	20	DGCD	
CCN1CCC(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)CC1	756534669	MFWRXWQTFWGWIN-SWLSCSKDSA-N	306.425	3.401	10	20	DGCD	
COc1cc(CN2CC[C@H](C)[C@H](CO)C2)c(O)c(C(C)(C)C)c1	857060662	CZMVEYTVGOSXPS-ZFWWWQNUSA-N	321.461	3.149	10	20	DGCD	
Cc1cccn2cc(CCN[C@H](C)c3ccc(F)cc3O)nc12	756628355	LPSOOYFIIGQQNG-CYBMUJFWSA-N	313.376	3.381	10	20	DGCD	
CCN(CC[C@@H]1COC(C)(C)O1)c1ccc(OC)c(OC)c1	851828276	PHJZKWQHHKFCBS-CQSZACIVSA-N	309.406	3.072	10	20	DGCD	
O=Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)s1	864862362	JZCJWDJCGWHQDN-UHFFFAOYSA-N	314.410	3.091	10	20	DGCD	
Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C)c1	765648066	MXBNXWZASKVHAP-UHFFFAOYSA-N	311.790	3.463	10	20	DGCD	
COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(Cl)ccc1O	769425744	XEOBNLVCJIUXKM-MRXNPFEDSA-N	319.788	3.392	10	20	DGCD	
CCn1nccc1C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863165858	OYPSOHMMNIXROQ-UHFFFAOYSA-N	322.412	3.241	10	20	DGCD	
CCN(Cc1c(O)cccc1OC)C[C@@H](O)c1ccc(C)cc1	769481489	BGRSIPXULSFAFA-GOSISDBHSA-N	315.413	3.265	10	20	DGCD	
COCC[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccco1	868486993	NRKKZAQMSMAFHB-OCCSQVGLSA-N	318.373	3.123	10	20	DGCD	
CC(C)CC(=O)N1CCCN(Cc2c(O)cccc2Cl)CC1	877775347	XHFWVUYURMALDF-UHFFFAOYSA-N	324.852	3.126	10	20	DGCD	
COc1cc(CN2CCc3cc(F)ccc3C2)c(O)cc1C	768481260	JMOCQURTLFGQOD-UHFFFAOYSA-N	301.361	3.407	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC(SC)CC2)c1O	877663076	FNSUSKBGDIMQCA-UHFFFAOYSA-N	301.839	3.382	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cnc3ccsc3c2)ccc1O	776748544	OMPBJGLMHWADGI-UHFFFAOYSA-N	320.395	3.111	10	20	DGCD	
C[C@@H](NC(=O)CCC1CCOCC1)c1ccc(N(C)C)cc1	773016377	CIHSQBCOLPAMPN-CQSZACIVSA-N	304.434	3.137	10	20	DGCD	
CC(C)n1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1	775649234	IYPUHERZMBBAIF-CYBMUJFWSA-N	315.421	3.413	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1c2ccccc2C[C@@H]1O	1116584292	CZLVPKIUZYCLGH-ZMQFRBSTSA-N	309.409	3.497	10	20	DGCD	
CC[C@H]1[C@H](C)CCN1Cc1ccc(N2CCC(O)CC2)cc1	877413922	UANNOJGDJOUDET-BEFAXECRSA-N	302.462	3.268	10	20	DGCD	
CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776250593	WBUNSRXRRUWJPP-IIAWOOMASA-N	319.449	3.023	10	20	DGCD	
Cc1coc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1	878292646	PGXFEMKHSKOEJZ-UHFFFAOYSA-N	316.426	3.071	10	20	DGCD	
C[C@H](NS(=O)(=O)C1CCCCC1)c1ccc(N(C)C)cc1	773085999	BAQMKKYJSQZFNK-ZDUSSCGKSA-N	310.463	3.066	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCCc2ccc(F)c(F)c21	770383697	JKRJFPMMGJFZJB-UTCJRWHESA-N	318.298	3.492	10	20	DGCD	
CCc1csc(NCc2ccc(N3CCN(C)CC3)cc2)n1	882879713	JBFMYLWQYBVIAH-UHFFFAOYSA-N	316.474	3.069	10	20	DGCD	
CCCC[C@@H](CC)C(=O)NCCNCc1ccc(OC)c(C)c1	1123957416	PJQPTQRWDWHYAN-QGZVFWFLSA-N	320.477	3.426	10	20	DGCD	
CC(C)[C@H](F)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	784130820	YCLNYEXNDTVQGX-AWEZNQCLSA-N	312.348	3.329	10	20	DGCD	
C/C=C(/CC)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	788832375	OAODUBMPHHAVKY-SMDZSXGUSA-N	302.418	3.057	10	20	DGCD	
C[C@H](NCc1cc(F)cc(F)c1O)[C@H](O)c1ccc(F)cc1	883003794	HXONSJOEPJETFI-VFZGTOFNSA-N	311.303	3.021	10	20	DGCD	
CCOc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1C	780925500	DNNQZEMOZINHCL-UHFFFAOYSA-N	301.342	3.366	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O	785990237	ZXSUXVHEJCUVAE-COPLHBTASA-N	313.825	3.036	10	20	DGCD	
CO[C@@H]1CCN(Cc2c(O)cccc2Br)[C@H](C)C1	707145875	JXXXQSSRYVBIEZ-GHMZBOCLSA-N	314.223	3.154	10	20	DGCD	
CC/C=C(\C)C(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1	1181378274	SVKJITGLNOTZCJ-VNOAQLAMSA-N	316.445	3.050	10	20	DGCD	
Cc1[nH]c(C(=O)[C@@H](C)Sc2nccs2)c(C)c1C(=O)O	1610398490	OURLLLCWLWJVBE-MRVPVSSYSA-N	310.400	3.150	10	20	DGCD	
Cc1cc(O)c(CN2CCC(NCC3CC3)CC2)cc1Cl	1579637939	JSIALCWXOJKNAO-UHFFFAOYSA-N	308.853	3.318	10	20	DGCD	
CC[C@@](NCc1cccc(F)c1O)(C(=O)O)c1ccccc1	1595300200	OJRGVSDBLXOISB-KRWDZBQOSA-N	303.333	3.011	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc(/C=C\C(=O)O)o1	1598519189	JVGVELDLKZRGTG-KHPPLWFESA-N	314.385	3.075	10	20	DGCD	
Cc1cc2cccc(CNCc3ccc(C(=O)O)cc3O)c2o1	1777428299	NAZYGHGNICJYIU-UHFFFAOYSA-N	311.337	3.435	10	20	DGCD	
Oc1ccc(Br)cc1CNC[C@@H]1CCCSC1	288385297	GJRHOTVGIZRHIK-JTQLQIEISA-N	316.264	3.388	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cc(C)cc(C)c2)c1O	104974009	CSVDRQZSUNCZNQ-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
CN(Cc1ccccc1O)c1cnc2cc(F)c(F)cc2n1	301868772	JAKNYVHPFFBJGA-UHFFFAOYSA-N	301.296	3.250	10	20	DGCD	
C[C@H]1CCC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1	173200451	VEPMNRUVGSJKHP-KBPBESRZSA-N	302.418	3.304	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ccc(OC3COC3)cc2)c1	188655831	SIOVIHNANSDWAO-GFCCVEGCSA-N	315.369	3.352	10	20	DGCD	
Cc1ccc(Cl)c(NC(=O)NCCc2ccc(O)c(O)c2)c1	120912296	DXCPMYRVHDYJFX-UHFFFAOYSA-N	320.776	3.424	10	20	DGCD	
COC[C@@H](C)CN[C@@H](C)c1ccc(Br)cc1O	185149061	XDZRIMIDHXBUQF-UWVGGRQHSA-N	302.212	3.088	10	20	DGCD	
C[C@H](NCCCC(=O)N1CCc2ccccc21)c1ccccc1O	183601404	YBNFWXJWNHVIRD-HNNXBMFYSA-N	324.424	3.412	10	20	DGCD	
CCc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	190922333	QSGCUYVBHQKJBK-LBPRGKRZSA-N	314.385	3.413	10	20	DGCD	
O=C1Nc2ccc(F)cc2/C1=C\c1nccn1CC(F)(F)F	131205815	FWHCWDZWIVKRMS-UXBLZVDNSA-N	311.238	3.077	10	20	DGCD	
C[C@@H](N[C@@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1O	192650602	APWVOUJQMONQJU-PRHODGIISA-N	317.216	3.018	10	20	DGCD	
Nc1ccc(CC(=O)NCCSCc2ccccc2F)cc1	238113930	VKSYYRVVWUOAAU-UHFFFAOYSA-N	318.417	3.000	10	20	DGCD	
COc1ccc(O)c(CN[C@H](c2ccc(OC)nc2)C2CC2)c1	529687524	FVCCMFWTPITQFT-SFHVURJKSA-N	314.385	3.045	10	20	DGCD	
COCCC1CCN(Cc2cc(Cl)cc(F)c2O)CC1	529637985	KUGFWMDUXXBNEO-UHFFFAOYSA-N	301.789	3.433	10	20	DGCD	
CC(C)CO[C@H](C)c1noc(COc2ccc(N(C)C)cc2)n1	278752217	SBEHYUNMMAIFIP-CYBMUJFWSA-N	319.405	3.448	10	20	DGCD	
FC(F)C1CCC(NCc2ccc(N3CCOCC3)cc2)CC1	281951490	MAMUFLPYBQIYPA-UHFFFAOYSA-N	324.415	3.437	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCc1ccc(N(C)C)cc1	298786733	KHDRXZQZUSJAPV-UHFFFAOYSA-N	312.413	3.049	10	20	DGCD	
CC[C@@H](NC[C@@H]1COCCO1)c1cc(Cl)cc(Cl)c1O	806132381	VPHMFWBEJMKFCI-ZWNOBZJWSA-N	320.216	3.155	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCC1(C)C	476678817	UUPBJMHDYILOJD-CQSZACIVSA-N	302.418	3.304	10	20	DGCD	
COc1cccc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)c1	298938096	HQOFVKMBQZRMPR-CYBMUJFWSA-N	314.385	3.303	10	20	DGCD	
CC(C)C[C@@H]1COCCN1Cc1cc(Cl)c(F)cc1O	816509449	PZSQQVPJAXPFHF-GFCCVEGCSA-N	301.789	3.432	10	20	DGCD	
Cc1cc(CN2C[C@@H](CO)C[C@@H](C)C2)ccc1N1CCCCC1	817281897	SFJVYKRUDQOGNW-APWZRJJASA-N	316.489	3.436	10	20	DGCD	
C[C@H]1CN(Cc2cccc(Cl)c2O)c2ccccc2C(=O)N1	811508788	CHAZQBXYDHLREP-NSHDSACASA-N	316.788	3.184	10	20	DGCD	
CC[C@H](C)[C@@H](CNC1CCN(c2ccc(OC)cc2)CC1)OC	824596733	KYEYGVKIEUPARH-HNAYVOBHSA-N	320.477	3.315	10	20	DGCD	
Cc1nc(CN(C)Cc2ccc(N3CCCCC3)c(C)c2)no1	828729364	HGGZNMZJJXPPAL-UHFFFAOYSA-N	314.433	3.309	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNCCCn1ccnc1	725841385	CZYFXMNVVSWLEZ-UHFFFAOYSA-N	307.397	3.436	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(Br)cc2O)c2nccn21	826084169	WMJUIHHGCBJWQV-SKDRFNHKSA-N	322.206	3.147	10	20	DGCD	
Cc1cccc(C(C)(C)NC(=O)/C=C\c2ccc(O)c(O)c2)c1	588407034	NBXSBUGCFLEBCS-NTMALXAHSA-N	311.381	3.471	10	20	DGCD	
Nc1ccc(CCNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)cc1	911783820	ZGEYQEFELIMWRF-MSOLQXFVSA-N	308.425	3.196	10	20	DGCD	
NCCN(Cc1ccccc1)Cc1c(O)ccc(Cl)c1F	843059003	BYQLBTYIWKKDTD-UHFFFAOYSA-N	308.784	3.146	10	20	DGCD	
COc1cccc(CN2CC3(CCOCC3)[C@H]2C(C)C)c1O	840971131	UFCXXYFIDWRFFX-QGZVFWFLSA-N	305.418	3.038	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCS2)cc1	743290214	DOZSJOCELBMJJV-INIZCTEOSA-N	306.475	3.387	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](CO)CC2CCCCC2)c1O	846171159	DUPIAPXUEUZNBC-UKRRQHHQSA-N	307.434	3.383	10	20	DGCD	
COCc1csc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	850533487	ZTDOBAJJAUXQHK-JTQLQIEISA-N	322.386	3.359	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@@H]2CCCC[C@H]2C)cc1Cl	757857471	URDFHTGTPSQPBL-IUODEOHRSA-N	324.852	3.480	10	20	DGCD	
C[C@H](NCC1(N)CCCC1)c1cc(Br)ccc1O	854222819	LDWMXQFOWQYPRC-JTQLQIEISA-N	313.239	3.077	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1	862760477	RSTBTYUVQUSGDF-CHWSQXEVSA-N	317.335	3.399	10	20	DGCD	
Cc1cc(CNC(=O)[C@H](C)n2cccn2)c(C)n1-c1ccccc1	863165106	JINIGTNEHQRBMV-INIZCTEOSA-N	322.412	3.168	10	20	DGCD	
COCCOCc1ccc(NCc2cc(F)ccc2O)cc1	862531250	FDEGTUSXZBXEOV-UHFFFAOYSA-N	305.349	3.306	10	20	DGCD	
C[C@H](NC(=O)NCc1ccccc1O)c1cccc(F)c1F	766561790	ZJCUEXUIMSEMGR-JTQLQIEISA-N	306.312	3.231	10	20	DGCD	
CCN(CC)c1ccc(CNS(=O)(=O)CC2CCCC2)cc1	765166684	KISMYVIUSHEPFI-UHFFFAOYSA-N	324.490	3.142	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1	769397260	OFOSGEMQMHHQQM-CQSZACIVSA-N	320.433	3.142	10	20	DGCD	
CC[C@](C)(CN(Cc1ccccc1O)C[C@@H]1CCCO1)OC	876531419	FXPVABHACSTLKH-FUHWJXTLSA-N	307.434	3.188	10	20	DGCD	
CC(=O)N(C)c1ccc(NCc2ccc(N3CCCC3)cc2)cn1	1117960655	YKCDVSNRWAZVFB-UHFFFAOYSA-N	324.428	3.277	10	20	DGCD	
Cc1cccc(O)c1CN(C)CCc1ccccc1[N+](=O)[O-]	877514531	MPJVEGQHIPBBGQ-UHFFFAOYSA-N	300.358	3.283	10	20	DGCD	
CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(F)c1O	778525205	JZTNCVBPUYWDDR-MRXNPFEDSA-N	320.408	3.465	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCC(=O)NC(C)(C)C)cc1	772960186	UCRPJQFGEXCJFC-CQSZACIVSA-N	305.466	3.098	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCC[C@@H](C)C1)c1ccc(C)cc1O	1116889982	LUYGCSIBOAHMDP-NVXWUHKLSA-N	318.461	3.390	10	20	DGCD	
CCC[C@@]1(C(=O)OCC)CCCN1Cc1cc(C)ccc1O	775184923	UBCGCVVOKBSHEZ-SFHVURJKSA-N	305.418	3.398	10	20	DGCD	
CCOC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(N(C)C)cc1	774481220	HQWQFFDABNHYEO-YOEHRIQHSA-N	306.450	3.381	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccccn2)cc1Cn1cccn1	873007072	DUXAKTNYRJTSPN-OAHLLOKOSA-N	322.412	3.186	10	20	DGCD	
CC[C@H]1C[C@@H](C)CN1Cc1ccc(N2CCC(O)CC2)cc1	876748069	ULGVRTPLDXSCOZ-WBVHZDCISA-N	302.462	3.268	10	20	DGCD	
C[C@H](N[C@@H]1CCn2ccnc2C1)c1cc2c(cc1O)CCCC2	779065654	NIIHTIUEYCAFNR-XJKSGUPXSA-N	311.429	3.133	10	20	DGCD	
CCC[C@@](C)(O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	770753923	LGVFEKYFUUWQCS-LJQANCHMSA-N	318.461	3.186	10	20	DGCD	
CCN(CC)c1ccc(CN2CCO[C@@H](COC(C)C)C2)cc1	770688541	MMRZOUUSPARNAR-LJQANCHMSA-N	320.477	3.159	10	20	DGCD	
C[C@@H](NC(=O)c1cccnc1Cl)c1ccc(N(C)C)cc1	773989766	QZXVPWGFONXTQZ-LLVKDONJSA-N	303.793	3.292	10	20	DGCD	
C[C@@H](CN[C@@H]1CCc2cccc(O)c21)N(C)Cc1ccccc1	390563190	NOAYFQGKWSPEIF-MAUKXSAKSA-N	310.441	3.490	10	20	DGCD	
Cc1ccc(CCNCc2c(O)cccc2Br)o1	706872947	XIGBRHMDDXUSKW-UHFFFAOYSA-N	310.191	3.388	10	20	DGCD	
Cc1cc(O)c(CN(CCO)Cc2cccnc2Cl)cc1C	793366646	QLZGJEAREJDLFL-UHFFFAOYSA-N	320.820	3.052	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@H](C)C(C)(C)C)cc1C	1149008529	PPROGWHXEQUSCC-HNNXBMFYSA-N	320.477	3.282	10	20	DGCD	
C[C@@H]1CCCC[C@H]1OCC(=O)Nc1c(Cl)ccc2nonc12	1329517136	AJGMMOFCSPYVAX-BXKDBHETSA-N	323.780	3.410	10	20	DGCD	
COc1ccc(CCC(=O)N(C)Cc2ccccc2O)cc1F	53915134	KBGUNKKNQPYVPG-UHFFFAOYSA-N	317.360	3.131	10	20	DGCD	
CCCN(CC(=O)N(CC(C)C)C1CC1)Cc1ccccc1O	68973574	ZJCBBWQHNKXNHJ-UHFFFAOYSA-N	318.461	3.251	10	20	DGCD	
CCCOC(=O)[C@@H](C)N(Cc1ccco1)Cc1ccccc1O	119484663	DFNAUYIUGVTZBA-CQSZACIVSA-N	317.385	3.329	10	20	DGCD	
CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(C)c(O)c1O	179512476	HVPNLGVSPKQRCT-HNNXBMFYSA-N	314.385	3.415	10	20	DGCD	
CCc1ncsc1C(=O)NCc1ccc(N2CCCC2)cc1	178898582	NDVRSMOGLZATFW-UHFFFAOYSA-N	315.442	3.236	10	20	DGCD	
CC[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	68549183	QHDNKFXIMRQOEX-CABCVRRESA-N	319.449	3.024	10	20	DGCD	
CCCC1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	125546185	BCGWKCBWRHCYMP-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
COc1ccc(N2CCN(C/C(Cl)=C/Cl)CC2)cc1F	129592638	HHBVVSZVZPQJEA-LUAWRHEFSA-N	319.207	3.275	10	20	DGCD	
CSC[C@@H](CCO)N[C@@H](C)c1ccc2ccccc2c1O	185530425	HYHNYFONJJPOPT-GXTWGEPZSA-N	305.443	3.310	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@H]1CCOC1	131194270	CTXFGHIDEYUMIP-ZDUSSCGKSA-N	305.399	3.349	10	20	DGCD	
C[C@H](NCC1(C)OCCO1)c1cc(Cl)c(Cl)cc1O	193065709	OTZZUBXQOZAYAH-QMMMGPOBSA-N	306.189	3.113	10	20	DGCD	
CCC[C@](C)(NCc1cc(Cl)cc(Cl)c1O)C(=O)O	86732419	YGWLJEIMXWLBPW-ZDUSSCGKSA-N	306.189	3.432	10	20	DGCD	
COc1ccc(C2(NC(=O)Cc3ccc(N)cc3)CCCC2)cc1	237500103	MHGCHKHFGUGCRF-UHFFFAOYSA-N	324.424	3.406	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(OC[C@H]3CCCCO3)CC2)c1	93842425	KKEBCKBJELMLPU-GOSISDBHSA-N	319.445	3.251	10	20	DGCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@H]1CCC=CO1	248741487	AENZKKSRNXWOJH-SJORKVTESA-N	303.402	3.066	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@H](C)c1cc(Cl)ccc1O)C2	363869341	UCAAULTVSJYMAG-YGRLFVJLSA-N	317.820	3.352	10	20	DGCD	
CN1CCC2(CCCN(Cc3ccc(N(C)C)cc3)C2)CC1	366956848	WYEOESIHTQYVQT-UHFFFAOYSA-N	301.478	3.060	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2cc(C)ccc2O)[C@@]12CCCO2	274274091	XDURTXNIISQXKK-RNJTYBCJSA-N	305.418	3.078	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@]2(C)CCO[C@@H]2C2CC2)c1O	273049014	JZDIGYHKSYAKJN-IAGOWNOFSA-N	323.820	3.295	10	20	DGCD	
CC[C@H](NCCc1nnc(C)s1)c1ccc(N(C)C)cc1	289714580	JGDQKYJXUSDTJK-HNNXBMFYSA-N	304.463	3.196	10	20	DGCD	
CC(=O)C(=O)COC(=O)c1cc2sc3ccccc3c2s1	808491716	RJXWSJFVCIOHAP-UHFFFAOYSA-N	318.375	3.431	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H](CO)CC(F)(F)F)c1O	808707857	AXQQACXKCGBOIN-SCZZXKLOSA-N	311.731	3.318	10	20	DGCD	
Cc1cnccc1CN(Cc1ccccc1O)C[C@H]1CCCO1	294502048	BJYPJLQFGAHROJ-GOSISDBHSA-N	312.413	3.277	10	20	DGCD	
CC1(C)CCC[C@@]1(O)CNCc1cc(Cl)c(F)cc1O	816641099	IMZMWEXOQLPSCM-OAHLLOKOSA-N	301.789	3.216	10	20	DGCD	
O=C(NCc1cc(-c2ccccc2)on1)NCc1ccccc1O	726852351	NBQDYYCRXMJBNZ-UHFFFAOYSA-N	323.352	3.047	10	20	DGCD	
CCOC(=O)CN(Cc1cccc(F)c1)Cc1ccccc1O	822511556	IHMBFHFXPKXKCI-UHFFFAOYSA-N	317.360	3.097	10	20	DGCD	
C[C@@H]1C[C@@H]1c1ccc(CNCc2cc3c(cc2O)OCO3)o1	725846642	JYQFXKKEDPUDRS-MFKMUULPSA-N	301.342	3.127	10	20	DGCD	
C[C@H](NCc1cn(C)cn1)c1ccc(N2CCCCC2)c(F)c1	903351107	HQHYVJMSOOTCRY-AWEZNQCLSA-N	316.424	3.400	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(F)cc2C(=O)O)cc1OC	738018315	ZQUABQFAZOHKTJ-UHFFFAOYSA-N	319.332	3.178	10	20	DGCD	
COc1ccccc1[C@H]1CCCN1C(=O)c1cc(O)cs1	732285155	UFWOSMFAGUBSHQ-CYBMUJFWSA-N	303.383	3.440	10	20	DGCD	
CC(C)(C)OC(=O)CN(Cc1ccccc1O)C1CCCC1	731848138	UEYHSIXWZZXHIM-UHFFFAOYSA-N	305.418	3.479	10	20	DGCD	
Nc1ccc(CNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1	837302763	FWRDYZFXTPXDPE-AZUAARDMSA-N	306.409	3.179	10	20	DGCD	
C[C@H]1C[C@@H](N[C@H](C)Cc2cnn(C)c2)c2c(O)ccc(F)c21	834896283	JOPOFHDGXWCLFF-MISXGVKJSA-N	303.381	3.034	10	20	DGCD	
CCCCCCN(C)CC(=O)NCc1ccc(N(C)C)c(F)c1	732279533	UDNKHHDMQBZBQJ-UHFFFAOYSA-N	323.456	3.020	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1	839562906	FMIAGCKEWGVREQ-AUUYWEPGSA-N	323.440	3.357	10	20	DGCD	
CCCC[C@H](CN)NC(=O)N(CCCC)Cc1ccccc1O	841958821	TUDFDZNUFDCEFK-MRXNPFEDSA-N	321.465	3.221	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](F)C2)cc1	844899507	WTQRNPZRCYVWKO-OAHLLOKOSA-N	307.413	3.176	10	20	DGCD	
C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1	749125812	HQBQVGBRTMAJFM-MCIONIFRSA-N	306.425	3.327	10	20	DGCD	
COC(C)(C)C[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O	845012427	CZNVHJJHAFOOKI-SNVBAGLBSA-N	314.813	3.048	10	20	DGCD	
CCN(CC(=O)Nc1ccc(F)cc1F)c1ccc(OC)cc1	746109524	RYUNEHRLAPQRMZ-UHFFFAOYSA-N	320.339	3.438	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCC2(CCNC2)CC1	843126313	IWQIYYORDXWXGE-UHFFFAOYSA-N	313.489	3.252	10	20	DGCD	
CN(CC(=O)NCC1CCC1)c1ccc(-c2nccs2)cc1	846996357	RILKXJCAYCHJPA-UHFFFAOYSA-N	315.442	3.163	10	20	DGCD	
N[C@@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	843344800	YGECYUVXNGBOOK-CQSZACIVSA-N	323.400	3.074	10	20	DGCD	
COCCCCN(C)Cc1cc(C)cc(Br)c1O	841893840	KHOXTZHYMRZEMP-UHFFFAOYSA-N	316.239	3.322	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C	840432827	HFDDQFBFILCSTI-FMKPAKJESA-N	320.433	3.127	10	20	DGCD	
CO[C@@H](C)CCN[C@@H](C)c1cc(Br)cc(F)c1O	756526982	IPHCPXLLRDQBMP-IUCAKERBSA-N	320.202	3.369	10	20	DGCD	
CN(C[C@H]1CCC(=O)O1)c1ccc(OCc2ccccc2)cc1	851966159	ZKFSMFWUEZKQDI-GOSISDBHSA-N	311.381	3.407	10	20	DGCD	
Cc1ccc(OCCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	756371472	JYICLYUJLLZTTJ-ZDUSSCGKSA-N	316.357	3.338	10	20	DGCD	
Oc1ccc(Br)cc1CNCCCc1ccco1	850407304	CSXRMYURVFDUMT-UHFFFAOYSA-N	310.191	3.470	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CC3(CCCC3)c3ccccc32)cn1	751311048	FCLRZBKCOMULBN-CMDGGOBGSA-N	307.397	3.292	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1cccc2c1CCOC2	866659395	LNHYNKMOFWWSFW-UHFFFAOYSA-N	308.425	3.171	10	20	DGCD	
C[C@H]1C[C@H](CCNC(=O)N[C@H](C)c2ccccc2O)C[C@@H](C)O1	868585474	FPFWLLYUBNVGLT-LXTVHRRPSA-N	320.433	3.346	10	20	DGCD	
Cc1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[nH]1	863941739	JVIZWYVZCPBQTF-UHFFFAOYSA-N	314.433	3.143	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(F)cc1C	865027635	YCRJLNDTILPXEE-UHFFFAOYSA-N	315.392	3.257	10	20	DGCD	
CC(C)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	132260117	OVPBAXUSCNGAPV-UHFFFAOYSA-N	303.233	3.225	10	20	DGCD	
CCOc1cccc(CN(C)[C@H]2C[C@@](C)(OC)C2(C)C)c1O	769548144	FZGUDFPRWFUSQI-MAUKXSAKSA-N	307.434	3.426	10	20	DGCD	
CN(C(=O)CCCOCCc1ccccc1)c1ccc(N)cc1	877078128	DTXUMWURBMRMOV-UHFFFAOYSA-N	312.413	3.271	10	20	DGCD	
CCOc1ccc(N(C)Cc2nc3ccc(OC)nc3[nH]2)cc1	779221732	AHKYUJUQAMLANE-UHFFFAOYSA-N	312.373	3.002	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H]2CN2CCCC2)cc1	773747492	GVWNBKZYBJIAOK-LJQANCHMSA-N	301.478	3.203	10	20	DGCD	
C[C@@](O)(CNCc1cc(Cl)cc(F)c1O)c1ccccc1	776175484	RRRLMRCAGZTKMI-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
CCC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	773614555	ANISIEGCVJPZKU-WMLDXEAASA-N	319.449	3.024	10	20	DGCD	
CC[C@H](N[C@H](C)CO[C@H]1CCOC1)c1cc(Cl)ccc1O	775512329	JCQFWLNJFVXJMZ-ZLDLUXBVSA-N	313.825	3.280	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCC(F)F	1124111639	JYCDYPGKMPNIID-UHFFFAOYSA-N	320.339	3.292	10	20	DGCD	
OC1CCN(c2ccc(CNCc3ccc(F)cc3)cc2)CC1	76275585	MTZBZEQSYBROJL-UHFFFAOYSA-N	314.404	3.077	10	20	DGCD	
O=C(CCCC1CCCC1)OCC(=O)c1ccc(O)c(O)c1	783928771	RWEMIENWOPSWQO-UHFFFAOYSA-N	306.358	3.184	10	20	DGCD	
O=C1CCCC(=O)N1c1cccc(NCc2ccccc2O)c1	793256195	KLQWLVCGMSJYNI-UHFFFAOYSA-N	310.353	3.048	10	20	DGCD	
CCOc1cccc(CN(C)Cc2cnc(C(C)C)nc2)c1O	799737004	QNMBXGWUQBNFPQ-UHFFFAOYSA-N	315.417	3.336	10	20	DGCD	
FC(F)CN1CCCN(Cc2ccc(N3CCCC3)cc2)CC1	1323741915	XMTLWPFLYHUWEF-UHFFFAOYSA-N	323.431	3.060	10	20	DGCD	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)NC(C)(C)C	101595768	VEUWOTDEEJBKSW-MRVPVSSYSA-N	319.232	3.092	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1C[C@@]12CCCc1ccccc12	1263894364	CWJLEDJOSMTJES-OXJNMPFZSA-N	323.392	3.008	10	20	DGCD	
C[C@@H](NCCc1cccc(F)c1F)c1cc(C(=O)O)ccc1O	1609776641	BSPDMAPTSHEJLO-SNVBAGLBSA-N	321.323	3.262	10	20	DGCD	
CC(=O)Nc1ccc(N[C@H](C)c2cc(C(=O)O)ccc2O)cc1	1589199500	OQGDXRJOYONOTI-SNVBAGLBSA-N	314.341	3.222	10	20	DGCD	
CCN(C)c1ccc(CN[C@H]2CCC[C@H](C(=O)O)C2)c(C)c1	1776856670	BCSVNEXIQXHCSS-HOCLYGCPSA-N	304.434	3.184	10	20	DGCD	
CCN1CCCc2cc(CN[C@]3(C(=O)O)CC[C@H](C)C3)ccc21	1776875988	HPSPFEDQCSXBKE-IFXJQAMLSA-N	316.445	3.192	10	20	DGCD	
CCN1CCc2cc(CN[C@]3(C(=O)O)CCCC3(C)C)ccc21	1776877462	LOLLNPCYDBABNB-IBGZPJMESA-N	316.445	3.192	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2ccc(C)cc2)cc1OC	158833127	NUMWTLAZOKAGQV-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
CCOc1ccc(N(C)C[C@H](O)COCc2cccs2)cc1	157305460	NUZGYWNCNAELSM-HNNXBMFYSA-N	321.442	3.161	10	20	DGCD	
CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCOC1	157427611	MGAGRHLGFWFEDR-HNAYVOBHSA-N	318.461	3.069	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1C	824815768	YZCJLJUBKVVMMN-HZMBPMFUSA-N	314.223	3.012	10	20	DGCD	
C[C@@H](NCc1c(O)cccc1Br)[C@H]1CCCOC1	706808396	LVEZIJANXVGAMG-MNOVXSKESA-N	314.223	3.059	10	20	DGCD	
COc1cccc(CNC(=O)C[C@@H](C)c2cccc(F)c2)c1O	116444594	JDMBZLRTTMFRCN-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
CCc1ncnc(NCc2ccc3c(c2)CCCN3C)c1F	301966077	KNNASQRJGIYMGL-UHFFFAOYSA-N	300.381	3.173	10	20	DGCD	
Cc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)cc1O	180315415	GXCIXJAJGXUWTM-UHFFFAOYSA-N	324.424	3.160	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)c2ccc(C)cc2)c1	182324617	VUIBCCZHEGMWLE-UGSOOPFHSA-N	301.386	3.093	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CCSC	77643819	BYQPIDZJFNSAFY-CYBMUJFWSA-N	310.463	3.455	10	20	DGCD	
CC(C)c1noc(NCc2cccc(Br)c2O)n1	181857299	KPKOXLMIYQZQMP-UHFFFAOYSA-N	312.167	3.273	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1O	193504256	BQVGLWQCVIKKPR-GXTWGEPZSA-N	316.367	3.317	10	20	DGCD	
COc1ccc(CNCc2cccc(OC)c2O)cc1Cl	132375223	JHPFXRVXZQKOBC-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
C[C@@H](C1CC1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1	194167346	YOXKGQRHBHHXCJ-AWEZNQCLSA-N	301.434	3.227	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](C)c2nc(C(C)(C)C)no2)c1	236851487	OBNUCSRANKWZJF-LLVKDONJSA-N	319.405	3.322	10	20	DGCD	
COc1ccsc1/C=C1\SC(N2CCCCC2)=NC1=O	268717483	GWINBKXACXWGHB-XFXZXTDPSA-N	308.428	3.213	10	20	DGCD	
C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O	279255620	IRDIDQALHSYHTN-DZGCQCFKSA-N	311.381	3.191	10	20	DGCD	
CC(C)(C)C(=O)N1CCC(NCc2c(O)cccc2Cl)CC1	378923332	QODQOLFDAHQYCA-UHFFFAOYSA-N	324.852	3.172	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCOC[C@@H](C)C1	372883765	UBODCOUDHBWGRO-LBPRGKRZSA-N	318.442	3.264	10	20	DGCD	
CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCO1	376803165	DXMYGNGLZKCAGS-OALUTQOASA-N	318.461	3.211	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN[C@@H](C)C(=O)O)cc1	284382905	YGJVYYGKBCJFFO-HNNXBMFYSA-N	312.413	3.276	10	20	DGCD	
CN(C)c1ccc(CN(CC2CCC(=O)CC2)C2CC2)cc1	294798661	BZOVLBQCLUJWOG-UHFFFAOYSA-N	300.446	3.476	10	20	DGCD	
CN(Cc1cc2c(cc1O)OCO2)Cc1c(F)cccc1F	293754038	XDTRIWRGXUYEIM-UHFFFAOYSA-N	307.296	3.031	10	20	DGCD	
CCCSCC(=O)NCc1cc(Cl)cc(Cl)c1O	807834398	MFUXBMQYFZMXAZ-UHFFFAOYSA-N	308.230	3.458	10	20	DGCD	
COCc1nc(CN[C@@H](C)c2c(C)cc(C)cc2O)cs1	293964314	AGQOUDVUXCZVBH-LBPRGKRZSA-N	306.431	3.463	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(CCN)cc2)c2c(O)ccc(F)c21	817950251	XDFSHVSVVMAAMJ-LRDDRELGSA-N	314.404	3.371	10	20	DGCD	
Cc1ccc(NCc2cc(Cl)c(F)cc2O)cc1C(N)=O	816526814	PSIKMZWZFXQDJR-UHFFFAOYSA-N	308.740	3.204	10	20	DGCD	
CC(C)[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCCO1	816676280	WWAQJFXMYMIRLS-HNNXBMFYSA-N	301.789	3.432	10	20	DGCD	
CCCN(CC)C[C@H](C)NCc1cc(Cl)c(F)cc1O	816615660	BOZMZJUOCFAEGN-NSHDSACASA-N	302.821	3.395	10	20	DGCD	
CCN1CC[C@@H](CN[C@@H](C)c2cccc(C(F)(F)F)c2O)C1	815560717	NYFNUEYFTAZFIK-RYUDHWBXSA-N	316.367	3.403	10	20	DGCD	
CCNCCCN[C@H](C)c1cc(Br)cc(C)c1O	817943422	NDXYFJJXAOJSPN-LLVKDONJSA-N	315.255	3.113	10	20	DGCD	
O[C@H](CNCc1ccc(N2CC=CC2)cc1)c1cccc(F)c1	819094433	GRHMULJLMLORTI-LJQANCHMSA-N	312.388	3.025	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC3(CCC3)[C@@H]2C(C)C)c1O	814171267	MWGGAGYSYZXMRU-INIZCTEOSA-N	320.389	3.320	10	20	DGCD	
Cc1nc2ccccc2n1CCC(=O)N[C@H](C)c1ccccc1O	827940400	DGEHLBKZGLFIMJ-CYBMUJFWSA-N	323.396	3.318	10	20	DGCD	
COc1cccc(O)c1CNCc1cc(-c2ccccc2)on1	726797391	ALPLGMZYBUZNJD-UHFFFAOYSA-N	310.353	3.346	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC[C@@H](C)OC)cc1	726713545	GQDUDLBXXRGBOJ-OAHLLOKOSA-N	321.465	3.099	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2Cc3cccc(O)c3C2)cc1Cl	825697917	KWYIEGFCEFSSLE-CYBMUJFWSA-N	303.789	3.317	10	20	DGCD	
CN(Cc1coc(C(C)(C)C)n1)c1ccc(OCC(=O)O)cc1	903905018	TYZWISGDAZGWDW-UHFFFAOYSA-N	318.373	3.072	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccccn1	734522241	MGUHRXPOOCWGFH-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
COC1CCC(N(C)Cc2c(O)ccc3ccncc23)CC1	734474818	FUMVGIUOXRAKES-UHFFFAOYSA-N	300.402	3.330	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)C2CCC2)cc1F	904048045	JVCNDMLJYSLLFZ-INIZCTEOSA-N	308.397	3.015	10	20	DGCD	
CS[C@@H]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1	845011608	DWCOECUOSWYSIA-VXGBXAGGSA-N	314.838	3.129	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)O[C@@H]1CCOC1	913868846	WGVIADHIRFQILY-QGZVFWFLSA-N	318.417	3.034	10	20	DGCD	
O=C(O)CC1(CN2CCCc3cc(OC(F)F)ccc32)CC1	846239751	HMMNKXPMOKJAIW-UHFFFAOYSA-N	311.328	3.296	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ccc(Cl)cn2)cc1	844401824	RWXTZWIZYYAYQK-UHFFFAOYSA-N	319.836	3.312	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)[C@@H]4CCCOC4)ccc31)CCCC2	843019470	SPJQCWOVNXJLEH-CYBMUJFWSA-N	313.397	3.389	10	20	DGCD	
COC(=O)c1cnc(SC[C@@H]2CCCCN2C(C)C)s1	840209764	BIGOZQICMYYBPS-NSHDSACASA-N	314.476	3.285	10	20	DGCD	
Cc1cc(CCNC(=O)COC(C)C)c(C)n1-c1ccccc1	920473037	IYAUQJAQGDHMME-UHFFFAOYSA-N	314.429	3.178	10	20	DGCD	
CC[C@@H](NCc1nnn(C(C)(C)C)n1)c1cccc(Cl)c1O	848560784	KILULPOPXOCOSW-GFCCVEGCSA-N	323.828	3.028	10	20	DGCD	
COc1cccc([C@H](C)NCC2([C@H](C)CCO)CCC2)c1O	846157571	FMTCTYLQIZJUTG-KGLIPLIRSA-N	307.434	3.240	10	20	DGCD	
COc1ccc2c(c1)OC[C@@H](N[C@H](C)c1ccc(F)cc1O)C2	756774580	KBKWPFHDYNPMJO-RISCZKNCSA-N	317.360	3.194	10	20	DGCD	
CN(C)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1	757701713	CAIFTYQYHZAQEZ-UHFFFAOYSA-N	306.312	3.048	10	20	DGCD	
COC1CCN(C(C)(C)CN[C@H](C)c2cc(F)ccc2O)CC1	756549520	FYVQKLKICAKPCH-CYBMUJFWSA-N	324.440	3.071	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCCS2)c1	753261436	IBWKYHDKWUPEER-AAEUAGOBSA-N	324.446	3.047	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C)CCOC1	754359292	RTFJUAJUFFHPMN-LJQANCHMSA-N	316.445	3.062	10	20	DGCD	
C[C@H](NC[C@](C)(O)C1CC1)c1ccc(N2CCCCC2)cc1	765931752	QONMMXRUQZOBFM-KXBFYZLASA-N	302.462	3.489	10	20	DGCD	
COc1cc(O)c(CN2CC[C@@H]2c2cccc(F)c2)cc1OC	768465284	FIMCXVQQXVSVHD-OAHLLOKOSA-N	317.360	3.496	10	20	DGCD	
CC[C@H](NCCCNC(=O)C(C)C)c1cc(Cl)ccc1O	775525113	XZSIEGQHCBHMMB-AWEZNQCLSA-N	312.841	3.249	10	20	DGCD	
C[C@@H](NCCN1CCC1)c1ccc(N2CCCCC2)c(F)c1	773095516	SVETUANNJMBGDN-OAHLLOKOSA-N	305.441	3.172	10	20	DGCD	
COC(=O)c1ccccc1CCN(C)c1ccc(OC)c(F)c1	775615748	SIDUGENIXUCXQR-UHFFFAOYSA-N	317.360	3.300	10	20	DGCD	
CO[C@@H]1CCC[C@H]1CNCc1cccc(Br)c1O	774832146	JGTLXNSDBPSTSP-GXFFZTMASA-N	314.223	3.059	10	20	DGCD	
C[C@@H](NC[C@H]1OCCc2ccccc21)c1c(O)cccc1F	886548185	YMKGHYKICXWYNQ-SJKOYZFVSA-N	301.361	3.496	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)c1cccc(F)c1)c1c(O)cccc1F	886550156	TUBJWYYJKLYKPK-RVPKQNPDSA-N	307.340	3.443	10	20	DGCD	
CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C[C@H](C)OC	782462556	DDPRSMUCKJJBBW-INIZCTEOSA-N	320.477	3.159	10	20	DGCD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C1\SC(=S)NC1=O	787166552	ATXFFAWOTQUQJJ-IGJCCDITSA-N	306.368	3.030	10	20	DGCD	
COC/C=C\C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	791338929	FOSGEFHGWDBFNX-TWGQIWQCSA-N	316.445	3.274	10	20	DGCD	
COc1ccc(CNCc2ncc(C(C)(C)C)s2)c(O)c1	793387485	FKIPTKMOTHESNR-UHFFFAOYSA-N	306.431	3.445	10	20	DGCD	
C/C=C(\C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccc(OC)c(C)c1	1134051649	NFQZXFVMARTHGU-VFGVELGVSA-N	318.461	3.343	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccccc2Cl)c(O)c1	794762596	XPKDJJKBZXLRCL-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
CC[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O	794817808	RATNKTMYFSUKPP-UKRRQHHQSA-N	304.434	3.141	10	20	DGCD	
CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1	793468327	LESFZCIFRRUFEN-SUMWQHHRSA-N	324.440	3.349	10	20	DGCD	
CCOCc1cc(CN[C@H]2CCCC[C@H]2N(C)C)ccc1OC	1322714455	QSWHLIHMPVJDCM-ZWKOTPCHSA-N	320.477	3.194	10	20	DGCD	
COC1(CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)CCOCC1	1320253304	TWKODAHELHLFIB-KBPBESRZSA-N	305.418	3.034	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@@H]1[C@H]1CCCO1	1321942998	DQUVYWOWOJYUJA-RTBURBONSA-N	300.446	3.430	10	20	DGCD	
C[C@@H](NCCSCCCO)c1ccc(N2CCCCC2)cc1	151177142	WILNWGMDCQFJHG-MRXNPFEDSA-N	322.518	3.443	10	20	DGCD	
C[C@@H](NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	715103779	OKWIASASWIMLBA-MGPQQGTHSA-N	320.433	3.346	10	20	DGCD	
CN(C)c1ccc(CN(CCCN)c2cccc(F)c2)cc1	20237238	FVMFQAVZEFTEKU-UHFFFAOYSA-N	301.409	3.247	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)c2cc(C)oc2C)c1O	174397610	LBELJAGDYZXCLA-NSHDSACASA-N	318.373	3.171	10	20	DGCD	
CO[C@H]1CCCN(Cc2cc(Br)cc(C)c2O)C1	179749487	STKGHUWMGOQUKX-ZDUSSCGKSA-N	314.223	3.074	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cnc(C(C)(C)C)s1	63094267	VTHNHQAHNLYPTA-UHFFFAOYSA-N	304.415	3.418	10	20	DGCD	
CC(=O)C[C@@H](C)NC(=O)c1sccc1-n1c(C)ccc1C	129341370	JNHVCTCLYVNJCJ-SNVBAGLBSA-N	304.415	3.253	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@H](C)c1cc(OC)ccc1O	186176911	SZFKXPOGRXBALZ-GFCCVEGCSA-N	317.433	3.110	10	20	DGCD	
CN(C)CCOc1ccc(NCc2ccc(N(C)C)cc2)cc1	71701248	CKBWSOVRHVRKBC-UHFFFAOYSA-N	313.445	3.305	10	20	DGCD	
CN(CCc1ccncc1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	183757938	PQJMOQGRVUDUMH-UHFFFAOYSA-N	321.764	3.023	10	20	DGCD	
CCCc1csc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1	181300180	ZKGJFOPDIRFAPE-FNORWQNLSA-N	304.371	3.159	10	20	DGCD	
Cc1cnc(C(C)(C)NCc2cc([N+](=O)[O-])ccc2O)s1	80346463	XEZYOUGQPGGQEI-UHFFFAOYSA-N	307.375	3.090	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Cl)c[nH]1	41365356	DYCPZBOEJNYBBR-UHFFFAOYSA-N	303.793	3.198	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)c1cccc(OC(F)F)c1	237659374	PNYHLTXSXIVQDM-NSHDSACASA-N	320.339	3.290	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H](C)[C@@H]1CCCNC1	236732391	UVBHPMRVJTXTIG-JKSUJKDBSA-N	318.461	3.157	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H](C)c1c(C)cc(C)cc1O	293794845	UPACSVFMBKLPKF-DZGCQCFKSA-N	306.450	3.212	10	20	DGCD	
CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(N)cc1	296869934	DVAYKTNYRTXDOJ-AWEZNQCLSA-N	312.413	3.478	10	20	DGCD	
CC[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(C(F)(F)F)cc1O	810222737	ABKSFNLKWIPGOE-SUHUHFCYSA-N	315.335	3.389	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NC[C@H](N)C(C)C)c1O	817958767	MHATWOARCQPWCF-MFKMUULPSA-N	315.255	3.097	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H]1COc2ccccc21	816613094	IUSYAKAVDJIUML-LLVKDONJSA-N	307.752	3.451	10	20	DGCD	
Oc1ccccc1CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	822504554	VENXCHKLVGLCRJ-PKOBYXMFSA-N	308.425	3.099	10	20	DGCD	
CCn1nc(C)c(C(=O)CSc2ncc(C(C)(C)C)s2)n1	829298563	SSTCGEVGFBBNQY-UHFFFAOYSA-N	324.475	3.335	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCc2c(F)cccc21	588463239	CSPWYRKXWVWHBC-ALCCZGGFSA-N	302.736	3.477	10	20	DGCD	
CC(C)O[C@H]1C[C@@H](NCc2cc(Br)ccc2O)C1	839148018	UGSMFUPOSHLBIA-BETUJISGSA-N	314.223	3.200	10	20	DGCD	
C[C@@H]1CC[C@@](CNCc2ccc3c(c2)CCCO3)(CC(=O)O)C1	900027454	QSMIWBOQGUUDSW-KUHUBIRLSA-N	317.429	3.382	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCc2ccccc2O1)c1ccc(N(C)C)cc1	839727650	AEBIMXZXKMKHFQ-KUHUBIRLSA-N	324.424	3.324	10	20	DGCD	
CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2cc(F)ccc2O)C1	835070482	OMGRUZQYOZERPP-QGZVFWFLSA-N	309.381	3.085	10	20	DGCD	
CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(C(=O)OC)ccc1O	834912859	MUXKAJHDIIETRF-XGWLTEMNSA-N	321.417	3.177	10	20	DGCD	
COc1ccc(N(C)Cc2ccsc2C(=O)O)cc1OC	832378909	VGTGIDOCSSOTCP-UHFFFAOYSA-N	307.371	3.100	10	20	DGCD	
CCc1cccc(CN2CCN(c3cccs3)CC2)c1O	848888659	YIZSAVLBGLCUFA-UHFFFAOYSA-N	302.443	3.338	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](O)c2cc(C)cc(C)c2)c1O	846168328	SEPISCSRWPZLDZ-PBHICJAKSA-N	315.413	3.402	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@@H]3CNC[C@H]3C2)cc1	843343145	UEPKZARFZHGCBJ-KZNAEPCWSA-N	301.478	3.011	10	20	DGCD	
O=C(COc1ccc2ccccc2c1)NCc1ccccc1O	748353913	RCKNEIDYQFWHBN-UHFFFAOYSA-N	307.349	3.241	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1C[C@@H]1c1cccc(F)c1F	743328805	VPUMGGMPOSLVIV-CHWSQXEVSA-N	303.308	3.090	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@](C)(O)c1ccc(F)cc1	840935741	CBMYODPSZUAXFO-IBGZPJMESA-N	316.420	3.197	10	20	DGCD	
CCc1cccc(CNC2CCN(C3CCCC3)CC2)c1O	848898053	PHECIWLUJIZYCO-UHFFFAOYSA-N	302.462	3.451	10	20	DGCD	
Nc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1	841301190	FKLJNXDVVSYGRB-DLBZAZTESA-N	311.385	3.311	10	20	DGCD	
CC(=O)N(C)c1ccc(CNCc2ccc(N(C)C)cc2)cc1	858249135	OLWSPCWXIFUDGR-UHFFFAOYSA-N	311.429	3.025	10	20	DGCD	
Cc1cc(C)n(CCCN[C@@H](C)c2cc(F)cc(F)c2O)n1	756374174	YNNDTPYUFKYKSO-LBPRGKRZSA-N	309.360	3.225	10	20	DGCD	
CCCN(CC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccccc1O	750875756	WOVCVRKWHALITP-WBVHZDCISA-N	318.461	3.299	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	866227984	DNGCHOZMEINEGH-FHWLQOOXSA-N	312.457	3.334	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]2CN2CCCCC2)c(O)c1	768936447	DEBVAHXTRPBUBC-QGZVFWFLSA-N	318.461	3.241	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1F	768235641	BULGCCHBJGPPKX-IBGZPJMESA-N	314.404	3.465	10	20	DGCD	
C[C@H](NC(=O)C1Cc2ccccc2C1)c1ccc(N(C)C)cc1	762276117	KJSIKNURAPMADT-AWEZNQCLSA-N	308.425	3.345	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CC(F)(F)F	766656906	HFXFFHLXUYSXPF-NSHDSACASA-N	317.355	3.201	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](N(C)C)CC2)cc1	763607977	VDCZXCLNLPSWGR-SFHVURJKSA-N	303.494	3.449	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1	769514289	IUHPXLHSQTWUQL-QZTJIDSGSA-N	302.462	3.391	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N1[C@@H](C)CCC[C@H]1C	879650079	ZXCQMSJMXKTYFX-BARDWOONSA-N	304.434	3.221	10	20	DGCD	
O=C(NCCSc1ccc(Cl)cc1)c1cccc(O)c1O	776316274	IYIUCHQIKGVLAH-UHFFFAOYSA-N	323.801	3.273	10	20	DGCD	
COc1ccc2c(c1)N(Cc1cc(F)ccc1O)C[C@H](C)O2	776523110	HZUVTZILTDNHMP-NSHDSACASA-N	303.333	3.327	10	20	DGCD	
Cc1cccn2cc(CCN[C@@H](C)c3c(O)cccc3F)nc12	886534501	JQTIZMZYFJSNOO-ZDUSSCGKSA-N	313.376	3.381	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O	785990245	ZXSUXVHEJCUVAE-WDMOLILDSA-N	313.825	3.036	10	20	DGCD	
CCN(CCN[C@H](C)c1c(O)cccc1F)CCC(F)(F)F	886598993	OTBZRHFTFHHFNN-LLVKDONJSA-N	322.346	3.456	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCCS1	783036801	CQWUJWONGDYIRP-INIZCTEOSA-N	304.459	3.189	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1c(F)cccc1OC(F)(F)F	789128424	SXMNEVREDXVGBV-XBXARRHUSA-N	323.292	3.213	10	20	DGCD	
CC[C@@H](NCCCOC[C@H]1CCOC1)c1ccc(F)cc1O	796781040	UMSNEMUVUNFOBU-CZUORRHYSA-N	311.397	3.015	10	20	DGCD	
C[C@H](c1ccccc1)n1ccc(NC(=O)c2cccc(O)c2O)n1	790882960	TZRBGRVHPPSDTB-GFCCVEGCSA-N	323.352	3.156	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCCC[C@@H]1c1cc[nH]n1	795666933	JRQBOHQKBDZWPM-QGZVFWFLSA-N	308.385	3.391	10	20	DGCD	
COCC1(C)CN(C(=O)c2sccc2-n2c(C)ccc2C)C1	790430606	JTOIJQITYSWCHZ-UHFFFAOYSA-N	318.442	3.264	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](C)c2cccc(Cl)c2)c(O)c1	794387710	KDLFJZXHWHPDIR-NSHDSACASA-N	319.788	3.474	10	20	DGCD	
CCNc1ncc(C(=O)N[C@H](C)c2ccccc2O)cc1Cl	1521808037	UYPCXZQFGQCWNF-SNVBAGLBSA-N	319.792	3.363	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNC(C)(C)C(=O)O)cc1	1606170944	KDCNDHVLSZYLKF-UHFFFAOYSA-N	318.442	3.337	10	20	DGCD	
C[C@@H](NCc1ccsc1C(=O)O)c1ccc(N(C)C)cc1	1609782482	SCWQDKNDMYEMMC-LLVKDONJSA-N	304.415	3.363	10	20	DGCD	
Cc1[nH]c(C(=O)O)cc1C(=O)CSc1ncc(Cl)s1	1599960372	HECMROLLLYKIGB-UHFFFAOYSA-N	316.791	3.106	10	20	DGCD	
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2F)sc1Cl	231809135	BFAZCILSFVAHAE-UHFFFAOYSA-N	321.782	3.355	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(C(=O)O)CCC[C@H]3C[C@H]32)c(C)c1	1776856768	KJXDJWKQIFLXDU-POZUXBRTSA-N	316.445	3.184	10	20	DGCD	
CC1(C(=O)O)CC(NCc2ccc(N3CCCCC3)cc2)C1	1776497309	JRVBFCSFPBPATE-UHFFFAOYSA-N	302.418	3.020	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC1C[C@H](C)O[C@@H](C)C1	154907634	LIRHKOLVWPPFIB-KBPBESRZSA-N	320.433	3.270	10	20	DGCD	
CC[C@H](N[C@@H]1CO[C@H](C)C1)c1cc(Br)ccc1O	401993775	MTYFVTCZOFDIDC-CDMKHQONSA-N	314.223	3.373	10	20	DGCD	
C[C@H](CN(C)Cc1ccccc1)N[C@H]1CCc2cccc(O)c21	309696839	DSSPEYWAPNZCCC-QAPCUYQASA-N	310.441	3.490	10	20	DGCD	
Cc1ccc(CCNCc2c(O)cccc2Br)nc1	706863897	YRROQQGNGNPMQF-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
C[C@@H]1O[C@H](C)C[C@@H]1CNCc1cc(Br)ccc1O	686512207	NWYRPXWOQCSKDM-OUAUKWLOSA-N	314.223	3.058	10	20	DGCD	
CCOc1cccc(CN[C@@H](COC)c2ccc(C)o2)c1O	177569947	YRKPSPVPRCFWMB-AWEZNQCLSA-N	305.374	3.170	10	20	DGCD	
CC[C@@H]1COC(C)(C)CN1Cc1cc(F)cc(C(C)=O)c1O	403832700	NTOOTRJVJUETAP-CQSZACIVSA-N	309.381	3.123	10	20	DGCD	
CC[C@@H](O)CN(Cc1ccccc1)Cc1cc(OC)ccc1O	305789653	SZIKYBFHKSAQKE-QGZVFWFLSA-N	315.413	3.174	10	20	DGCD	
COc1ccnc(NCc2ccc(N3CCC(C)CC3)cc2)n1	301211432	UMTHTBUYUUQOBM-UHFFFAOYSA-N	312.417	3.334	10	20	DGCD	
CCOCc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1	180738851	RQPPUYUAABGUFF-VQHVLOKHSA-N	313.353	3.286	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccccc1F	181220158	HZISTCDQRAVMCB-UHFFFAOYSA-N	315.348	3.323	10	20	DGCD	
COc1cccc([C@@H](CN[C@H](C)c2ccccc2O)N(C)C)c1	192865332	WWAOJVLAYLKEOP-RDTXWAMCSA-N	314.429	3.354	10	20	DGCD	
CN(C)[C@@H](CNCc1c(O)cccc1Cl)c1ccccc1	83551417	IYWACTWWRAOPIX-INIZCTEOSA-N	304.821	3.438	10	20	DGCD	
O=[N+]([O-])c1ccc(CCNCc2c(O)cccc2Cl)cc1	83552435	SQTMACWEWAVSED-UHFFFAOYSA-N	306.749	3.286	10	20	DGCD	
C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Cc1ccc(N)cc1	237567595	SISMIKNDQSUXRA-BUXKBTBVSA-N	312.388	3.390	10	20	DGCD	
Cc1ccc(SCCC(=O)NCCc2ccc(N)cc2)cc1	237768609	NITZOCINNDLTAF-UHFFFAOYSA-N	314.454	3.418	10	20	DGCD	
O=C(/C=C\Sc1ccccc1)NCCc1ccc(O)c(O)c1	255510617	PZHQZMQHUJNKAL-LUAWRHEFSA-N	315.394	3.063	10	20	DGCD	
Cc1ccc(O)c(CNC2(c3noc(C)n3)CCCCC2)c1	264965510	PHBIIPJEAHETED-UHFFFAOYSA-N	301.390	3.341	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(OC)cc2)c1	273367267	FIJFVOPJNWVHIH-LBPRGKRZSA-N	315.369	3.038	10	20	DGCD	
COc1ccc(O)c(CN[C@@H]2CCOC3(CCCCC3)C2)c1	271768530	AZOFSYHUIPOGSZ-OAHLLOKOSA-N	305.418	3.372	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@H](F)C(F)(F)F)C2CC2)cc1	289446817	KSFAGEHRBMYHIZ-ZDUSSCGKSA-N	318.314	3.144	10	20	DGCD	
CCCCN(CCCc1cnn(C)c1)Cc1ccccc1O	801594908	CZGJYRIWZHXVKX-UHFFFAOYSA-N	301.434	3.361	10	20	DGCD	
COc1cccc(CNCc2nc3ccc(F)cc3s2)c1O	809739694	BQYXBRNFGLBTKB-UHFFFAOYSA-N	318.373	3.439	10	20	DGCD	
Cc1cc(C(=O)NC[C@H](C)CCCO)c(C)n1-c1ccccc1	295411362	LCQKPQMASVTLSH-CQSZACIVSA-N	314.429	3.233	10	20	DGCD	
CN(C)c1ccc(CN(c2ccc3c(n2)CCC3=O)C2CC2)cc1	807931045	NBQPFWWLQGDSJU-UHFFFAOYSA-N	321.424	3.446	10	20	DGCD	
Oc1ccccc1CNC[C@H]1CCN(c2ccccc2F)C1	291016599	FZBVEFIDNBPNFC-CQSZACIVSA-N	300.377	3.147	10	20	DGCD	
COc1ccc(N(C)Cc2c(C)cc(C)nc2OC)cc1OC	805739519	XFAWHJONUJBWIS-UHFFFAOYSA-N	316.401	3.361	10	20	DGCD	
CC[C@H](N[C@H]1CCn2ccnc2C1)c1cccc(Cl)c1O	806159996	DAOMWNQNGNLLSG-FZMZJTMJSA-N	305.809	3.298	10	20	DGCD	
Cc1ccc(O)c(CNCCCNC(=O)/C=C/c2ccccc2)c1	800312823	SOKVSKRYQWELSU-PKNBQFBNSA-N	324.424	3.010	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@H](n3cc(Cl)cn3)C2)c1	811803030	GRJQAYUEYBBFSC-HNNXBMFYSA-N	305.809	3.306	10	20	DGCD	
O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1C1CC1	814283948	BAGFNSBIYSKKHC-IZZDOVSWSA-N	311.815	3.409	10	20	DGCD	
C[C@H](N[C@H](C)CCN(C)C)c1cccc(C(F)(F)F)c1O	815570990	QSBNUAPMOIPHDY-MNOVXSKESA-N	304.356	3.402	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3ncc(C)s3)C2)cc1	818222871	XMHABWBYKCUIOU-CQSZACIVSA-N	317.458	3.076	10	20	DGCD	
Oc1c(CN2CCC[C@H](C3OCCO3)C2)ccc2ccccc12	816501205	ABVWBTCSPJOIDS-INIZCTEOSA-N	313.397	3.130	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC3Cc4ccccc4C3)C2)cc1	818344567	OJYFWXWFZDBCOP-MRXNPFEDSA-N	322.452	3.279	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@@H](Cc2ccccc2)C2CC2)cc1	817941904	LRISUMWKTLYADD-SFTDATJTSA-N	323.484	3.363	10	20	DGCD	
COC[C@@H](C)[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1	812486285	IZBWEAGBTHORQE-CVEARBPZSA-N	318.461	3.212	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)c3ccsc3)CC2)cc1	726560554	CUOAGNQUWKWXDN-UHFFFAOYSA-N	316.426	3.156	10	20	DGCD	
CC[C@@H]1C[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1	823730362	VHYUNNCTZFGDRD-VDZJLULYSA-N	318.461	3.131	10	20	DGCD	
Cc1cc(O)c(CNC[C@H]2CC(=O)N(C(C)(C)C)C2)cc1Cl	827554393	DHIRBMNBBLHQND-GFCCVEGCSA-N	324.852	3.091	10	20	DGCD	
Cc1ccc(CO[C@@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1	827957600	WEXBLLAXRXNODU-CABCVRRESA-N	313.397	3.483	10	20	DGCD	
COc1cncc(CN2CCCc3cc(OC)cc(OC)c32)c1	839656078	GBWKZLSGBOLVIY-UHFFFAOYSA-N	314.385	3.060	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)NCc2cccc(C)c2)cc1	739922933	RYEBEFPLWIMAOH-UHFFFAOYSA-N	312.413	3.146	10	20	DGCD	
COc1ccc(CC[C@@H](C)NCCc2ccc(N)cc2)cc1O	841037969	DVNCEVFEROLNAT-CQSZACIVSA-N	314.429	3.136	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)[C@H](O)c2cccc(F)c2)c1O	846153201	FXWQDKCAQBSRMO-PRXAMGSTSA-N	319.376	3.313	10	20	DGCD	
N[C@@H]1Cc2ccccc2N(Cc2cc(Cl)cc(F)c2O)C1	841106765	PJKOXLZJLNLQNF-CYBMUJFWSA-N	306.768	3.075	10	20	DGCD	
C[C@H](NCCc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1O	756573009	OPOARDOWTBOHME-NSHDSACASA-N	319.351	3.499	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CC=C(C)C)C(=O)O)cc1	864528049	LBLUIHHUYRTIGT-QGZVFWFLSA-N	304.434	3.432	10	20	DGCD	
CCSc1ccccc1C(=O)N1CCS[C@@H]2COCC[C@H]21	769343921	MBVHIGSHVFPAED-UKRRQHHQSA-N	323.483	3.145	10	20	DGCD	
COc1cc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c(O)cc1C	773256546	CIZOXLAGUOJLKO-HZPDHXFCSA-N	319.445	3.348	10	20	DGCD	
C[C@H]1CC[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1	877491525	LKOKYELJIHHUCE-RDJZCZTQSA-N	302.462	3.174	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(N(C)C)cc1	773009905	PXVKAVGKASMIRD-KSSFIOAISA-N	314.429	3.145	10	20	DGCD	
Cc1cccc([C@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	773748292	JLUXKJWPLAJLHL-KBPBESRZSA-N	313.397	3.257	10	20	DGCD	
CN(C)c1ccc(OCC(=O)NC2(c3ccccc3)CCC2)cc1	786876832	OGOKGWAMFGPUOJ-UHFFFAOYSA-N	324.424	3.327	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCc1cnn(CC2CCC2)c1	897432931	SDDLQOPYSPJCPL-UHFFFAOYSA-N	323.799	3.471	10	20	DGCD	
CCN(CCCO)Cc1cc(Cl)cc(Br)c1O	894052877	DBZGVFOUPYAQGL-UHFFFAOYSA-N	322.630	3.012	10	20	DGCD	
CSc1cc(C)ccc1CNC(=O)c1ccc(C)c(O)c1O	780966363	DGZNFZQAWHDQFY-UHFFFAOYSA-N	317.410	3.367	10	20	DGCD	
CCOCCC1(CNCc2ccc(OC)c(OC)c2O)CCC1	893171949	AESLZJPAXCWLPQ-UHFFFAOYSA-N	323.433	3.096	10	20	DGCD	
COc1ccc(CN[C@H]2CCC[C@@H](SC)C2)c(O)c1OC	892949702	CANFCBCAKYTBBK-QWHCGFSZSA-N	311.447	3.173	10	20	DGCD	
CCOc1ccc(CNc2ccc(-c3cncnc3)cn2)c(O)c1	798430453	UFUAUAGPJSIXJX-UHFFFAOYSA-N	322.368	3.255	10	20	DGCD	
OCC[C@@H](Cc1ccccc1)NCc1cc(Cl)cc(F)c1O	799739048	IEVVCGPFGRLDIB-HNNXBMFYSA-N	323.795	3.268	10	20	DGCD	
COC(=O)[C@@H]1CCCCCN1Cc1c(O)ccc(Cl)c1F	792173419	HIMBZMODOFQXKM-LBPRGKRZSA-N	315.772	3.102	10	20	DGCD	
COc1cc(C)cc(CNCc2nc(C3CC3)cs2)c1O	1334360310	URHUIHOJZPRMBP-UHFFFAOYSA-N	304.415	3.333	10	20	DGCD	
CCn1cc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1	1343848054	AXAJAIJNTHMIEC-UHFFFAOYSA-N	324.384	3.063	10	20	DGCD	
COc1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)c(O)c1OC	1351948535	MWYCGVVEMFCRQO-ZIAGYGMSSA-N	305.418	3.422	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCCC2(F)F)n1C	1355456455	MMTZLQALIWXSRV-LBPRGKRZSA-N	322.359	3.060	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(C(=O)O)cc1F)c1ccccc1O	1605042739	LBNUFRWIMWZZED-VIFPVBQESA-N	318.304	3.112	10	20	DGCD	
Cc1cncc(/C=C\C(=O)N(CCC(=O)O)c2ccccc2C)c1	1600629423	SLYSZYPQXBLLNA-FPLPWBNLSA-N	324.380	3.220	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H](C)CNC(=O)OC(C)(C)C)c1	227686805	JZIKRHSPFKMVSO-CHWSQXEVSA-N	308.422	3.264	10	20	DGCD	
CN(C)c1ccc(OC[C@H]2CCCC(C)(C)O2)cc1C(=O)O	1598328047	CITSCZWVDJOPSK-CYBMUJFWSA-N	307.390	3.177	10	20	DGCD	
CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	5319674	OIUVCFWWHREQQF-RMKNXTFCSA-N	314.229	3.280	10	20	DGCD	
CCN1CCc2cc(CN[C@H](CC(=O)O)CC(C)C)ccc21	1776877643	PNPXPBHICZQWHK-INIZCTEOSA-N	304.434	3.048	10	20	DGCD	
CCc1cnc(CN(C)Cc2cc(OC)c(OC)cc2O)s1	160348701	KZOGABIKAKZAGM-UHFFFAOYSA-N	322.430	3.060	10	20	DGCD	
NC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1	21791253	BAPXIKQUZLZVFL-UHFFFAOYSA-N	311.168	3.410	10	20	DGCD	
Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)c1	173200851	ACUZTIPWZSHIMA-UHFFFAOYSA-N	310.397	3.409	10	20	DGCD	
COC[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	112962245	UNTJWTOWHOGXDV-CYBMUJFWSA-N	307.434	3.254	10	20	DGCD	
CN(Cc1noc(-c2ccsc2)n1)c1ccc2c(c1)OCO2	121275044	BLFVTYOABWOMAM-UHFFFAOYSA-N	315.354	3.163	10	20	DGCD	
C[C@@H](NCCCN1CCCC1)c1cc2c(cc1O)CCCC2	184899732	MAYIQYIBCRGEDA-OAHLLOKOSA-N	302.462	3.408	10	20	DGCD	
CCCCN(c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])C1CC1	314733922	AUGVOLNWSFTQJS-UITAMQMPSA-N	304.346	3.462	10	20	DGCD	
C[C@H](NCCOc1ncccc1Cl)c1ccc(F)cc1O	186106980	WIYYGTDTWZAKGA-JTQLQIEISA-N	310.756	3.309	10	20	DGCD	
CC(=O)Nc1ccc(CCN[C@H](C)c2cc(F)ccc2O)cc1	185338444	KEBWMMUTYWYGON-GFCCVEGCSA-N	316.376	3.383	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccccc1CC	189432156	ZKOSRKVBDQMSBM-UHFFFAOYSA-N	305.399	3.318	10	20	DGCD	
COc1cc(CN2CCc3c(cccc3OC)C2)c(O)cc1C	181444403	AAOMNARTHGABEN-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
Cc1ccccc1OCCCC(=O)NCCc1ccc(N)cc1	237550176	BITWYYPLYGUOJK-UHFFFAOYSA-N	312.413	3.095	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1Cl	266680729	LQCLOLGJBNNGPJ-UHFFFAOYSA-N	317.820	3.463	10	20	DGCD	
c1cc2nccc(NCc3ccc(N4CCOCC4)cc3)c2cn1	267220187	NRBOARUSGNUSAW-UHFFFAOYSA-N	320.396	3.079	10	20	DGCD	
Cc1c(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)n(C)c2ccccc12	456032363	UDHWJOGEJWMDEY-PMUMKWKESA-N	312.413	3.061	10	20	DGCD	
CC(C)c1nc(C2CCN(Cc3cccc(F)c3O)CC2)no1	272327201	VMFRHGUVPGHKPC-UHFFFAOYSA-N	319.380	3.417	10	20	DGCD	
Cc1nnc([C@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]1	286212579	BPIABKGMKNZJIT-ZDUSSCGKSA-N	323.400	3.012	10	20	DGCD	
COc1cccc(CNCc2c(C)nn(C(C)(C)C)c2C)c1O	289539792	WSNHSJKODMROEL-UHFFFAOYSA-N	317.433	3.259	10	20	DGCD	
OCCCOc1ccc(NCc2cccc(Cl)c2O)cc1	289532342	HRMRDUIJQSXXCJ-UHFFFAOYSA-N	307.777	3.419	10	20	DGCD	
CN(C)c1ccc(CN(Cc2cc[nH]n2)Cc2ccco2)cc1	289373793	BCYGQSHLNXRZRJ-UHFFFAOYSA-N	310.401	3.271	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCC2([S@](C)=O)CCC2)cc1	280907988	CTUYIMVSFZOBPN-SZNDQCEHSA-N	308.491	3.095	10	20	DGCD	
C[C@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C[C@@H](C)S1	387271593	WTYPDSQRJVIUNN-FOYPTKHBSA-N	322.386	3.023	10	20	DGCD	
Cc1ncsc1CCC(=O)N(C)Cc1ccc(N(C)C)cc1	298174829	RAKMGKFQVDYYLT-UHFFFAOYSA-N	317.458	3.109	10	20	DGCD	
COc1cccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])c1O	809739663	BBRKDMZEMYWIAU-UHFFFAOYSA-N	322.748	3.252	10	20	DGCD	
Cc1ncsc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	298764594	YGNSDKZOPNGRRT-UHFFFAOYSA-N	315.442	3.322	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2cc(Cl)ccc21	804344862	PSVIPEZNSFCOAN-QHHAFSJGSA-N	315.756	3.354	10	20	DGCD	
Cc1c(CN[C@H](Cn2cccn2)C(C)C)n(C)c2ccccc12	569462191	XSFXNHQCEJTQQL-QGZVFWFLSA-N	310.445	3.498	10	20	DGCD	
C[C@H](NC(=O)N[C@@H](C)C(F)(F)F)c1ccc(N(C)C)cc1	807139265	AVONNNLMCMUHRE-UWVGGRQHSA-N	303.328	3.064	10	20	DGCD	
C[C@@H](NCCCNC1CC1)c1cc(Cl)c(Cl)cc1O	817984423	SLBKMVSDDADFRI-SECBINFHSA-N	303.233	3.492	10	20	DGCD	
C[C@@]1(CNCc2cc(Cl)c(F)cc2O)CCO[C@@H]1C1CC1	816570772	HDYWWVKFYIQLJU-CVEARBPZSA-N	313.800	3.480	10	20	DGCD	
Cc1c(F)cccc1C(=O)Nc1cccc(N2CCOCC2)c1	817431129	JQPFEVXRFHCMJC-UHFFFAOYSA-N	314.360	3.223	10	20	DGCD	
Cc1c(NC(=O)N(C)Cc2ccccc2O)ccnc1Cl	810294985	DRNRQTYLUAAJCC-UHFFFAOYSA-N	305.765	3.413	10	20	DGCD	
Cc1cc(CN[C@@H](CO)c2ccc(F)cc2)ccc1N(C)C	815087596	WOARGOATNVMUTE-KRWDZBQOSA-N	302.393	3.023	10	20	DGCD	
OCC[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1	817418789	GMAJLIIUWYJBNW-NSHDSACASA-N	301.789	3.169	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2ncccc2N(C)C)cc1	810246594	FBRZYFINVALROQ-OAHLLOKOSA-N	312.461	3.455	10	20	DGCD	
Cc1nc(C)c([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)s1	817938656	OYUOHGYPLIACFH-BZNIZROVSA-N	318.490	3.177	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2c(C)noc2C)cc1	728223247	XKJOBFZLZBDJQK-UHFFFAOYSA-N	315.417	3.410	10	20	DGCD	
CCOc1ccc(CNC[C@@H]2CCOC3(CCC3)C2)c(O)c1	824751584	ZWHOMVINWZJJET-CQSZACIVSA-N	305.418	3.230	10	20	DGCD	
CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1	822862604	IPRFQRUULPVWAM-NSHDSACASA-N	320.330	3.487	10	20	DGCD	
CCN(CC)c1ccc(CNC(C)(C)CCC(=O)O)cc1F	901665014	VCIOSMBWUIIGLH-UHFFFAOYSA-N	310.413	3.405	10	20	DGCD	
C[C@@H](NC(=O)COCC1CCCC1)c1ccc(N(C)C)cc1	836783098	QGEFQEJHFIRTBR-CQSZACIVSA-N	304.434	3.137	10	20	DGCD	
CC(C)[C@@H](N[C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C	834737307	NBORWRAPCCCXNB-CZUORRHYSA-N	305.418	3.335	10	20	DGCD	
CCC1(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)COC1	836991777	ZPZGAULGYMRXLH-UHFFFAOYSA-N	312.413	3.251	10	20	DGCD	
COc1cccc(O[C@H](C)CN[C@@H]2CCc3cccc(O)c32)c1	834602812	VDAVMMYTIMYCQM-CXAGYDPISA-N	313.397	3.445	10	20	DGCD	
C[C@H]1CCCC[C@@H]1OCCN(C)c1ccc(OCC(=O)O)cc1	833612311	NUNXDJUEHVHJME-YOEHRIQHSA-N	321.417	3.182	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C	839621346	IWLDWEHLIMJKGV-OAGGEKHMSA-N	318.461	3.392	10	20	DGCD	
C[C@@H]1[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CCC[C@H]1C	914689175	LEYVNGKTDBIMFJ-KEYYUXOJSA-N	303.450	3.377	10	20	DGCD	
CCCCN(CCO)C(=O)c1ccc(-n2c(C)ccc2C)cc1	914534099	HBGNLZDXPQTXKT-UHFFFAOYSA-N	314.429	3.329	10	20	DGCD	
C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@H]1CN	843052242	QOWSZDOVTZQUCQ-APWZRJJASA-N	301.478	3.236	10	20	DGCD	
COCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	749323022	KBXBDMHKCHCVRY-UHFFFAOYSA-N	300.402	3.087	10	20	DGCD	
Cc1nc(NCCCSc2nccs2)ccc1C(=O)O	910290633	RXBRBSNJYPMDLU-UHFFFAOYSA-N	309.416	3.139	10	20	DGCD	
COCC[C@H](C)CN[C@@H](C)c1cc(Br)ccc1O	840837818	VUPCCWUWVJVZPK-QWRGUYRKSA-N	316.239	3.478	10	20	DGCD	
C[C@@H](NC[C@H](CO)c1ccccc1)c1ccc(Cl)cc1O	841758435	MBQQTQOOSGNIBJ-TZMCWYRMSA-N	305.805	3.472	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1F	840958231	OAZWMDABKJDGAZ-VQIMIIECSA-N	314.404	3.200	10	20	DGCD	
CCc1ccc(NC(=O)CN(C)c2ccc(OC)c(F)c2)cc1	757858017	VUEHXZINYQCLQC-UHFFFAOYSA-N	316.376	3.472	10	20	DGCD	
COc1ccc(N(C)Cc2nnc(C(F)(F)F)s2)cc1	852208525	GNSZVZHRLROPTO-UHFFFAOYSA-N	303.309	3.202	10	20	DGCD	
Cc1cc(O)c(CNCc2cccnc2N2CCCC2)cc1C	850352556	AKHDCJMDLCTLJB-UHFFFAOYSA-N	311.429	3.294	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@]2(C)CC2(Cl)Cl)c1	862754788	KJQFHINWFODACM-CYBMUJFWSA-N	302.201	3.291	10	20	DGCD	
CO[C@@]1(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)CCOC1	763572752	OQPRPSLHZSLHDA-QFBILLFUSA-N	318.461	3.133	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@]23CCc2ccccc23)c1	862760528	UBVAPPAZRIZMTG-XLIONFOSSA-N	307.393	3.221	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)c1ccccn1	773726995	SOTBXXLOTLFONW-UHFFFAOYSA-N	311.429	3.084	10	20	DGCD	
CC[C@](NCc1ccc(C)cc1O)(C(=O)OC)c1ccccc1	877674804	KOAIOMBZMQJOHM-LJQANCHMSA-N	313.397	3.269	10	20	DGCD	
C[C@H](NC(=O)Cc1cccc(F)c1F)c1ccc(N(C)C)cc1	773014936	NQQIZLATKLTWTF-LBPRGKRZSA-N	318.367	3.451	10	20	DGCD	
COc1ccc(CN2CCc3cc(F)ccc3C2)c(O)c1OC	893427705	MPJUZYDJOLIMLB-UHFFFAOYSA-N	317.360	3.107	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)c(O)c1O	780966297	YXTYNBMTWVWJOE-CYBMUJFWSA-N	317.307	3.257	10	20	DGCD	
CCC1(CC)[C@H](NCc2ccc(OC)c(OC)c2O)C[C@H]1OC	893172118	MCIOFWQFCOACOD-HUUCEWRRSA-N	323.433	3.093	10	20	DGCD	
CCc1cccc(CNC[C@H]2CCCN2CC(F)(F)F)c1O	896831741	ASCGWHMTQNQXBY-CQSZACIVSA-N	316.367	3.071	10	20	DGCD	
C[C@H](NCCc1ccc2c[nH]nc2c1)c1cc(F)cc(F)c1O	793576712	YOWJPVJSXIQYBV-JTQLQIEISA-N	317.339	3.440	10	20	DGCD	
CCc1ccc(NC(=S)NCc2ccc(OC)cc2O)cc1	795030486	BGOFMBSTZOFEOG-UHFFFAOYSA-N	316.426	3.450	10	20	DGCD	
CCN1C(=O)/C(=C\c2cc(C(=O)O)c(C)cc2C)SC1=S	794926673	LSFAMNSGOBDTHI-KPKJPENVSA-N	321.423	3.223	10	20	DGCD	
CCOC(=O)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1204327668	DTKSERBNYVOBGA-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
COc1ccc(CNC(=O)c2csc(C(C)(C)C)n2)c(O)c1	794383393	LYXYPTOIMLKJJV-UHFFFAOYSA-N	320.414	3.085	10	20	DGCD	
COc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1C	799343904	OYTZUJSSHJGLEV-FQEVSTJZSA-N	311.425	3.317	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1cc(Cl)ccc1O	790755324	MVBJCIOZTYNOHA-TVQRCGJNSA-N	321.812	3.169	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CCN(C(C)(C)C)C1=O	1326500858	JPLSQFZOZPHCPS-RDBSUJKOSA-N	316.445	3.238	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@]2(C)CCCC[C@H]2O)cc1F	1331273135	VQRDPKLDDPQBNF-SJORKVTESA-N	312.404	3.062	10	20	DGCD	
Cc1ccc(CN2CCc3c(F)ccc(C(=O)O)c3C2)c(O)c1	1607781291	NSQLZQJBFKAOPS-UHFFFAOYSA-N	315.344	3.096	10	20	DGCD	
O=C(O)CC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	1606126284	XOZAHWXGRLBEPM-JTQLQIEISA-N	315.772	3.262	10	20	DGCD	
CCN1CCCc2cc(/C=C\c3cc(C(=O)O)ncn3)ccc21	1776875376	QVSNQRBYQDSUDK-ALCCZGGFSA-N	309.369	3.118	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H](CO)Cc2ccccc2)cc1	158249616	VXWKNUJAXBEHHC-QFBILLFUSA-N	312.457	3.397	10	20	DGCD	
Cc1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)cn1	154256303	FAWIUBIXIGHJNP-NTEUORMPSA-N	301.415	3.283	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1cc(-c2ccccc2)on1	118775188	KDSDHGQKGJKSPH-UHFFFAOYSA-N	322.364	3.248	10	20	DGCD	
Cc1csc(CCNCc2ccc(N3CCCC3)cc2)n1	62103930	AAWMAZCWYTZUDY-UHFFFAOYSA-N	301.459	3.384	10	20	DGCD	
Oc1cc2c(cc1CN1CCO[C@@H](c3ccccc3)C1)CCC2	74171640	QEMSSHPHOABODS-HXUWFJFHSA-N	309.409	3.454	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCS1	126851353	KZHYMBZDFQPGDY-INIZCTEOSA-N	321.490	3.180	10	20	DGCD	
COc1ccccc1NC[C@H](O)COc1c(C)cccc1C	32186288	BOOFVXDYCUDPOO-HNNXBMFYSA-N	301.386	3.164	10	20	DGCD	
CCOc1cc(C)ccc1NCc1cc2c(cc1O)OCO2	120138949	LFMDCFRBHXHCMA-UHFFFAOYSA-N	301.342	3.440	10	20	DGCD	
CC[C@H](COC)N[C@@H](C)c1ccc(Br)cc1O	185504243	AJPYKYHAMYWIOL-GXSJLCMTSA-N	302.212	3.230	10	20	DGCD	
CCOCCOCCN(C)Cc1cc(C(C)C)c(C)cc1O	189234388	WQQCPBSGPVRAHL-UHFFFAOYSA-N	309.450	3.309	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(F)c1	71004829	DUZNXDSBNPXLFM-UHFFFAOYSA-N	314.404	3.294	10	20	DGCD	
COc1cc(F)c(NCc2cccc(OC)c2O)cc1OC	129390051	JMQYNSJFNLAWOO-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
C[C@H](NCc1ccc(Cn2cccn2)cc1)c1ccccc1O	183396440	RPNHUDORTLBRQN-HNNXBMFYSA-N	307.397	3.488	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1CCCc2cc(F)c(F)cc21	46222896	DUPLJSXWCNEBSB-AATRIKPKSA-N	300.308	3.352	10	20	DGCD	
Cc1cc(C(=O)NCCCCCO)c(C)n1-c1ccc(F)cc1	193306063	RJNSJXYEKSYHFA-UHFFFAOYSA-N	318.392	3.126	10	20	DGCD	
C[C@@H](NCc1ncn(C)n1)c1ccc(N2CCCCCC2)cc1	90970077	BUBGEBLXKNDSNF-OAHLLOKOSA-N	313.449	3.046	10	20	DGCD	
Cc1ccc(O)c(CN(C)Cc2cc(Br)cn2C)c1	91961671	KDWWJNQIQHVKAS-UHFFFAOYSA-N	323.234	3.434	10	20	DGCD	
C[C@@H](NCc1nccn1C)c1ccc(N2CCCCC2)c(F)c1	268953394	YEXFULPHUMXESH-CQSZACIVSA-N	316.424	3.400	10	20	DGCD	
Cc1cccc([C@H]2CCN(C(=O)c3ccc(C)c(O)c3O)C2)c1	273118826	CEVWJYNFQJCJAW-HNNXBMFYSA-N	311.381	3.344	10	20	DGCD	
CC[C@@H](NCc1nnc2n1CCCCC2)c1ccc(C)cc1O	279921126	AEBAJKICNVKYFP-OAHLLOKOSA-N	314.433	3.259	10	20	DGCD	
COc1ccc(N2CCC(NCCOC3CCCC3)CC2)cc1	371974804	QMRRHYLYLUXRFZ-UHFFFAOYSA-N	318.461	3.213	10	20	DGCD	
CC[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(C)cc1O	280024245	HOZMGSNMHNNXIJ-MRXNPFEDSA-N	318.461	3.390	10	20	DGCD	
CCOC(=O)c1ccc(CNCc2cc(Cl)ccc2O)o1	809742819	FVNNBAFHAQQHKM-UHFFFAOYSA-N	309.749	3.105	10	20	DGCD	
COc1cc(C)nc(NCc2cc(Cl)cc(Cl)c2O)n1	808088812	CHUKOQKPYLTDIW-UHFFFAOYSA-N	314.172	3.418	10	20	DGCD	
CCOc1ccc(O)c(CN2CC[C@H](n3cc(Cl)cn3)C2)c1	290945792	QGGQPZYWUPMDJR-AWEZNQCLSA-N	321.808	3.088	10	20	DGCD	
CCCCN(C)C[C@H](C)NCc1cc(Cl)cc(F)c1O	809793263	VHRIZHJJAVZAAF-NSHDSACASA-N	302.821	3.395	10	20	DGCD	
COc1cccc(CN(CCN(C)C)CC2CCCCC2)c1O	809736691	GBORHXANGKHYKE-UHFFFAOYSA-N	320.477	3.345	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2CCc3n[nH]cc3C2)c1O	808706791	VANTYJJLFCCCMI-GWCFXTLKSA-N	305.809	3.285	10	20	DGCD	
Cn1cnc2cccc(C(=O)Nc3cccc(N4CCCC4)c3)c21	813397865	KFTSLYZMNMIIND-UHFFFAOYSA-N	320.396	3.426	10	20	DGCD	
CCc1cc(C(=O)NCCCSc2nccs2)ccc1O	813451390	LGMZPYBEIIPVDR-UHFFFAOYSA-N	322.455	3.323	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC2CCC(C(F)F)CC2)cc1	817939864	CTEOXDREYURWGN-ZBCRRDGASA-N	311.420	3.166	10	20	DGCD	
CC[C@H]1CN(C)CCN1Cc1ccc(N2CCCCC2)cc1	816660704	MTJRXVYDVMKESV-SFHVURJKSA-N	301.478	3.203	10	20	DGCD	
Cc1ccc(C(=O)OCc2ccccc2OC(F)F)c(O)c1O	727005659	URHXEKFGPRVFQE-UHFFFAOYSA-N	324.279	3.365	10	20	DGCD	
CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)Cc2ccccc21	827446738	HCCZCSGXGRQEMN-UHFFFAOYSA-N	315.344	3.171	10	20	DGCD	
O=C(NCCCc1c[nH]c2ccccc12)c1cc(O)cs1	732290547	YZKOXVVNPUVZRW-UHFFFAOYSA-N	300.383	3.298	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](CO)c2cccc(F)c2)cc1Cl	825278957	QMNQAYPXFQEHGW-HNNXBMFYSA-N	309.768	3.316	10	20	DGCD	
C[C@@H](NCC[C@@H](O)C1CC1)c1ccc(N2CCCCC2)cc1	903406451	VOIOXWSWBVGNGK-DNVCBOLYSA-N	302.462	3.489	10	20	DGCD	
C[C@@H](NCc1nn(C)cc1Cl)c1cc(Cl)ccc1O	834881872	CRYLXSXPSDQZLE-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
CN(C)c1ccc(CN2CC(C(F)F)C2)c(C(F)(F)F)c1	839140949	KWKUMNVXZUMESS-UHFFFAOYSA-N	308.294	3.468	10	20	DGCD	
Cc1cnc(CCN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)cn1	834908692	LGYCYWDQSMMROV-QMTHXVAHSA-N	301.365	3.010	10	20	DGCD	
CC[C@H]1CCCC[C@H]1NC(=O)NCc1cc(OC)ccc1O	734066465	OQKCAFUXCKFRTA-SWLSCSKDSA-N	306.406	3.169	10	20	DGCD	
C[C@@H](NC(C)(C)CNC(=O)c1cc(O)cs1)c1ccccc1	732285832	JBSLWLZXWVSDTH-GFCCVEGCSA-N	318.442	3.313	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@@H]1CCO[C@@H](C(F)(F)F)C1	846056261	RYXGEGOCWHWGCM-ZYHUDNBSSA-N	309.715	3.245	10	20	DGCD	
CC(C)(C)OC(=O)CN(Cc1cc(F)ccc1O)C1CCC1	848927607	JAVYAZWGVDLCPS-UHFFFAOYSA-N	309.381	3.228	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CS[C@@H](C)C2)cc1	840262036	BVJGCRXEULHJAR-ZFWWWQNUSA-N	321.490	3.226	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@](C)(O)c2ccsc2)c1O	846142605	BAHWJDHAXNBAMR-BZNIZROVSA-N	307.415	3.021	10	20	DGCD	
Cc1cc(CNC(=O)NCc2cc(Cl)ccc2O)cc(C)n1	845265954	HYCBQMAIAKIIEL-UHFFFAOYSA-N	319.792	3.057	10	20	DGCD	
COc1cc(CN2C[C@H]3[C@H](C2)C3(F)F)c(O)c(C(C)(C)C)c1	844752566	OVEWYMHNHPWSJF-KBPBESRZSA-N	311.372	3.395	10	20	DGCD	
COc1cccc([C@H](C)NCCCN2CCCC[C@H]2C)c1O	846138983	ZGYYTEDKRLFDEV-CABCVRRESA-N	306.450	3.316	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1CN	841100272	AQYPQJARHGPTTP-AEFFLSMTSA-N	301.478	3.094	10	20	DGCD	
CCc1cccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O	848913252	SKYMMUGNWYXYJY-WMZOPIPTSA-N	301.430	3.488	10	20	DGCD	
Oc1cc2c(cc1CN1CCC(c3ccncn3)CC1)CCCC2	840170567	QCZQXISRZQRCTQ-UHFFFAOYSA-N	323.440	3.441	10	20	DGCD	
OCC1(NCc2cc(Cl)ccc2O)C2CC3CC(C2)CC1C3	840964628	ZLJWXQOANKACNH-UHFFFAOYSA-N	321.848	3.322	10	20	DGCD	
C[C@H](CNC(=O)NCc1ccccc1O)Cc1cccs1	743643635	IPNKXYONISBCRP-LBPRGKRZSA-N	304.415	3.132	10	20	DGCD	
COc1cc([C@H](C)N[C@H](C)Cc2ccc(N(C)C)cc2C)on1	926595217	HHTMVBXPGSIQKY-KGLIPLIRSA-N	317.433	3.339	10	20	DGCD	
COCc1csc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	854324692	NAMRNQRYQYFBCS-UHFFFAOYSA-N	318.442	3.233	10	20	DGCD	
CO[C@H](CNCc1c(O)cccc1Br)CC(C)C	858179389	MFNYJRAIRUUXIR-NSHDSACASA-N	316.239	3.305	10	20	DGCD	
CC(C)C[C@@H](CCO)CN[C@@H](C)c1cc(F)cc(F)c1O	756624901	HGOFDJFZZMWOQJ-NWDGAFQWSA-N	301.377	3.366	10	20	DGCD	
Cc1cc(CNC(=O)/C=C\[C@@H]2CCOC2)c(C)n1-c1ccccc1	863163641	LCHHEVUSHABYTK-XZVRFQMRSA-N	324.424	3.303	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CC(F)(F)F)c1	766655516	CWGDUCVSNBIKPI-DTWKUNHWSA-N	320.311	3.102	10	20	DGCD	
C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1	765359774	YLHPMEQQQWLXMV-NVXWUHKLSA-N	323.440	3.209	10	20	DGCD	
CCN1CCN(c2ccc(CN[C@@H](C)C3CCC3)cc2F)CC1	765853419	RVIGVFNJDLXURC-HNNXBMFYSA-N	319.468	3.246	10	20	DGCD	
Cc1ccc(CNC(=O)NCCCSc2nccs2)o1	875375160	XJHZSFZTEBXLSP-UHFFFAOYSA-N	311.432	3.026	10	20	DGCD	
CC(C)[C@@H]1C[C@H](NCc2cc(Cl)cc(F)c2O)CCO1	776254684	KIPMYBUXMAKXIP-OCCSQVGLSA-N	301.789	3.478	10	20	DGCD	
CCC(CC)C(=O)N1CCC(NCc2ccc(C)cc2O)CC1	876948361	GZXNJJNEZPHWMQ-UHFFFAOYSA-N	318.461	3.217	10	20	DGCD	
C[C@@H](N[C@@H](CO)CC(F)F)c1cc(Cl)c(Cl)cc1O	774381350	MGMJIXDGDKSOQI-RNFRBKRXSA-N	314.159	3.366	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc(Cl)ccc1O	779431907	HSINHZKJUAZGPX-CJNGLKHVSA-N	311.809	3.257	10	20	DGCD	
C[C@@H]1CCCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	776127342	NEVQVCGHDZMGFA-CYBMUJFWSA-N	307.413	3.223	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1CC[C@@H](n2cncn2)C1	777222783	SRZJQZLHNQSSGR-GOSISDBHSA-N	320.396	3.098	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2ccc3c(c2)C(=O)NCC3)c(O)c1	788737019	GYTGGXIJSYUSKM-CQSZACIVSA-N	324.424	3.146	10	20	DGCD	
CSCc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1	881379357	PLHWNUSRAWCUJN-UHFFFAOYSA-N	316.474	3.488	10	20	DGCD	
Cc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)c(O)c1O	780853580	GGFQXHQFCKWJOA-UHFFFAOYSA-N	323.751	3.471	10	20	DGCD	
COc1ccc(CNCCc2cc(F)cc(F)c2)c(O)c1OC	892851336	GYZGNTMGMIURML-UHFFFAOYSA-N	323.339	3.020	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)Cc2c(C)noc2C)c1O	894284636	MXDYQIKYSNYOLL-NSHDSACASA-N	304.390	3.035	10	20	DGCD	
C[C@H](NCc1ccc(C[S@@](C)=O)cc1)c1cc(F)ccc1O	797130979	CWRFVIHNFDSKAG-AMXDTQDGSA-N	321.417	3.261	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3c(s2)CCCC3)c(O)c1	794389517	PEECOOLEFPSORC-UHFFFAOYSA-N	317.410	3.271	10	20	DGCD	
COc1ccc(CNCC2(c3ccccc3)CC2)c(O)c1OC	892516540	DRXMQPCFXUVSIU-UHFFFAOYSA-N	313.397	3.231	10	20	DGCD	
C[C@H](N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1O	706406938	MAWLXPNVZJBCFV-OLZOCXBDSA-N	308.422	3.298	10	20	DGCD	
CN(C)c1ccc(CNC[C@@](C)(O)C2CC2)c(C(F)(F)F)c1	792976148	PGLPLJOKDZJAAW-OAHLLOKOSA-N	316.367	3.022	10	20	DGCD	
COc1ccc(N(C)Cc2cnc(C(C)(C)C)nc2)cc1OC	793588104	ZEZRPAROMKGWOX-UHFFFAOYSA-N	315.417	3.428	10	20	DGCD	
CC1(C)CCCN1CCNCc1ccc(N2CCCC2)cc1	1325134239	UQRUGLYBDGYXFU-UHFFFAOYSA-N	301.478	3.251	10	20	DGCD	
CCc1nnc(N(CC)Cc2ccc(N(C)C)cc2)nc1CC	1320749848	NWEZDUSWGJPVGJ-UHFFFAOYSA-N	313.449	3.089	10	20	DGCD	
Cc1ccc([C@@H](O)CNCc2ccc(N3CCCC3)cc2)o1	1323123004	CYMPZYNRONEZTO-KRWDZBQOSA-N	300.402	3.011	10	20	DGCD	
COc1ccc(CN(C)[C@@H]2CC[C@H](SC)C2)c(O)c1OC	1262357186	BSCHMLKRCRXYGM-OLZOCXBDSA-N	311.447	3.125	10	20	DGCD	
O=C(NCCCSc1nccs1)c1ccc(Cl)[nH]1	1348842102	JEOKATMODHFDJN-UHFFFAOYSA-N	301.824	3.037	10	20	DGCD	
C[C@H](N)CCNCc1ccc(N(C)Cc2cccs2)cc1	1579479993	DDTLSMKZDBZANM-AWEZNQCLSA-N	303.475	3.211	10	20	DGCD	
NCc1ccc2c(c1)N(Cc1cc(Cl)c(F)cc1O)CCO2	1580340546	CHSHHANEPZLQGW-UHFFFAOYSA-N	322.767	3.042	10	20	DGCD	
CN(Cc1cc(C(=O)O)no1)c1ccc(-c2nccs2)cc1	1598507512	VECQJSCXWNMEPM-UHFFFAOYSA-N	315.354	3.133	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1sccc1OC(F)F	155631630	SMGUUEPYRWNGIK-UHFFFAOYSA-N	313.325	3.327	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@]3(CCOC3)C2)cc1	154573615	JGPAKUUMXHFOGB-HXUWFJFHSA-N	324.424	3.347	10	20	DGCD	
COCCC(C)(C)NCc1ccc(Br)cc1O	691405024	CWTMNBBLEXCVCT-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
CN(CCCOc1ccc2c(c1)OCO2)Cc1ccccc1O	109772767	JYVJJJIEEKTBQR-UHFFFAOYSA-N	315.369	3.022	10	20	DGCD	
C[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	103413691	YCGOJFXJJQVXCL-BXUZGUMPSA-N	314.351	3.300	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCCC2=CCCCC2)c1	114581188	QJFAGYPRQYVZRK-UHFFFAOYSA-N	304.390	3.091	10	20	DGCD	
COCCN(Cc1ccc(F)cc1)c1ccc(OC)c(OC)c1	174798791	RHTXJULCWMFIBX-UHFFFAOYSA-N	319.376	3.496	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2c(F)cccc2F)c1	305785740	XTURPCWJLGMZNP-QLJPJBMISA-N	323.339	3.063	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCc1cccs1	115642627	ZOGMYZIYXCDYHJ-UHFFFAOYSA-N	317.458	3.164	10	20	DGCD	
Cc1cnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc1C	301858747	DSHDQUSIYPUOJA-OAHLLOKOSA-N	312.417	3.103	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC(C)(C)CCO)c1C	182463082	AUUOKYLZBNLTDW-UHFFFAOYSA-N	314.429	3.293	10	20	DGCD	
CC(C)[C@H](O)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	123837907	NAWMRFNJJSVTBH-KBXCAEBGSA-N	308.441	3.484	10	20	DGCD	
CC[C@H](N[C@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1O	186750552	BKRQDCHWJYWJSA-CJNGLKHVSA-N	320.433	3.300	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1C	73915406	WXEVLDLZPVIOLR-QWHCGFSZSA-N	307.413	3.222	10	20	DGCD	
Cc1cc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)c1	186383598	JEOKWFHWBLPYDS-AWEZNQCLSA-N	313.397	3.384	10	20	DGCD	
Cc1cnc(NCc2ccc(N(C)C)c(F)c2)c([N+](=O)[O-])c1	78655824	DYTUUCJUUYDBLL-UHFFFAOYSA-N	304.325	3.115	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(-n3cccn3)cc2)c1	182894861	RLEIBRAQDQNPOS-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC(N2CCCCC2)CC1	132475621	PZUWVXLTKQJKOB-UHFFFAOYSA-N	308.853	3.496	10	20	DGCD	
Cc1cccc(OC[C@H](O)CN[C@H](C)c2ccc(C)cc2O)c1	185129814	VXDPZPWAFMSLNX-HZPDHXFCSA-N	315.413	3.100	10	20	DGCD	
CCCOc1ccc(CN(C[C@@H]2CCOC2)C2CC2)c(O)c1	130014142	WVZNTIPURUZBMJ-AWEZNQCLSA-N	305.418	3.182	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@H]1[C@H]2CCO[C@H]2C12CCC2	193970171	DNGCHOZMEINEGH-CEXWTWQISA-N	312.457	3.334	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)c1	245835873	WAGXHPRILDPDDM-XDQVBPFNSA-N	318.417	3.197	10	20	DGCD	
COCCN(Cc1nc(C)cs1)c1ccc(OC)c(OC)c1	268657429	LDERDNKTOQFMGM-UHFFFAOYSA-N	322.430	3.122	10	20	DGCD	
C[C@H](CN(C)Cc1cc2c(cc1O)OC[C@H]2O)C1CCCCC1	530109161	WTVOKDWRFHKUPO-FZKQIMNGSA-N	319.445	3.466	10	20	DGCD	
CC[C@@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1	268328168	MNEJWQSOZTVIGS-QZTJIDSGSA-N	316.445	3.201	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2ccccc2F)c1O	278309929	WPJVSYFJGNJYTL-UHFFFAOYSA-N	320.320	3.080	10	20	DGCD	
C[C@@H](NC[C@@H](O)CCc1ccccc1)c1cc(F)ccc1O	273418550	IYWMACVZZCKONG-CJNGLKHVSA-N	303.377	3.176	10	20	DGCD	
C[C@@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1	271867861	JTNBEILAZRAWCC-ZBFHGGJFSA-N	316.445	3.059	10	20	DGCD	
C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1	271545063	ZAFUPCLDCVDECW-SJCJKPOMSA-N	320.383	3.415	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccccc2O)cc1[N+](=O)[O-]	271639934	GTOFQBHOGQBTNR-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC2CCN(c3nccs3)CC2)c1	281158236	BGIJTGIURHAGRH-CYBMUJFWSA-N	317.458	3.477	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC[C@H]1N	296781883	LVVURSAKDYQCHH-GOEBONIOSA-N	304.434	3.038	10	20	DGCD	
Cc1cc(C(=O)Nc2ncc(C3CC3)[nH]2)c(C)n1-c1ccccn1	807662754	PJLJOEMHRBBNJT-UHFFFAOYSA-N	321.384	3.342	10	20	DGCD	
C[C@H](CCc1ccccc1F)C(=O)NCc1ccc(N)cc1	297247557	QJHGUOBDJOTETM-CYBMUJFWSA-N	300.377	3.293	10	20	DGCD	
Cc1ccc(O)c(CN(CCN(C)C)Cc2cccc(F)c2)c1	809738038	QBDYKZJNXWTCPP-UHFFFAOYSA-N	316.420	3.404	10	20	DGCD	
Cc1cc(CN2CCC([C@H]3CCCO3)CC2)ccc1N(C)C	815100028	PFMDNDTUGBIVMZ-LJQANCHMSA-N	302.462	3.452	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCNCC[C@H]2C)cc1F	817903189	JOEXHFAMTHSZCH-RHSMWYFYSA-N	307.457	3.150	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)c3cscn3)C2)cc1	818342525	SCNKEFKIHPKGSP-ZIAGYGMSSA-N	317.458	3.329	10	20	DGCD	
COc1ccc(NC(=S)NCc2ncccc2C)cc1F	729645047	INLMWXYYNBYPGL-UHFFFAOYSA-N	305.378	3.024	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2scnc2C(C)C)c1	825737040	QSOZDZIDIMRQOZ-SNVBAGLBSA-N	320.414	3.472	10	20	DGCD	
CO[C@@H]1CCC[C@H]1NCc1cc(C)cc(Br)c1O	824903683	JJEVNPJOFLTNNY-CHWSQXEVSA-N	314.223	3.120	10	20	DGCD	
COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)CC(C)C)cc1	729475660	UYABKQIOILKQBA-HNNXBMFYSA-N	306.450	3.318	10	20	DGCD	
CCc1oc(CN(C)c2ccc(OC)c(F)c2)cc1C(=O)O	902524882	BEJZIABTXDRSMZ-UHFFFAOYSA-N	307.321	3.324	10	20	DGCD	
COc1cccc(O[C@@H](C)CN[C@H]2CCc3cccc(O)c32)c1	834602817	VDAVMMYTIMYCQM-GUYCJALGSA-N	313.397	3.445	10	20	DGCD	
CC/C=C\CNC(=O)NCc1cc(Cl)cc(Cl)c1O	836571291	DFBSBGLFOORGCR-ARJAWSKDSA-N	303.189	3.464	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C2CCC2)C2CC2)c1	836687672	WLGNASRKAMTLHZ-APPDUMDISA-N	318.417	3.340	10	20	DGCD	
CO[C@@H](C)CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	749565470	RQDPYDDPFRRTDA-HNNXBMFYSA-N	314.429	3.178	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@H]1C1CC1	840394019	LTWWQMYSOVDJBC-ZBFHGGJFSA-N	302.418	3.360	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cccc(OC)c2O)n[nH]1	846167009	QRPGHNGCGDBEKQ-SDDRHHMPSA-N	318.421	3.444	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CCCc3cc(F)cc(Cl)c32)cn1	841306339	WCVREXFUBKDJHT-SNAWJCMRSA-N	319.767	3.205	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ccnn2C(C)C)cc1	844400810	FJGHQICDYCMVOV-UHFFFAOYSA-N	316.449	3.041	10	20	DGCD	
NC[C@@H]1CCCC[C@H]1NCc1ccc(N2CCCCC2)cc1	841030949	PYDDWVPPLYRDNJ-PKOBYXMFSA-N	301.478	3.284	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)c(O)c1C	842884866	LJJHITDTZFEOLZ-HIFRSBDPSA-N	304.434	3.059	10	20	DGCD	
Oc1ccccc1CN(CCOC[C@H]1CCCO1)C1CCCC1	741248689	BDSRIBQNZFBXAM-GOSISDBHSA-N	319.445	3.332	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2cccc([N+](=O)[O-])c2)c1O	846156365	DWCDZKYHQLHYJI-GFCCVEGCSA-N	316.357	3.202	10	20	DGCD	
Cc1noc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2C)n1	840946553	QZGBSFSQPLSQBW-KRWDZBQOSA-N	314.433	3.480	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)[C@@H]1CC1(C)C	841594099	PSVFOACLQULIRF-UONOGXRCSA-N	306.406	3.025	10	20	DGCD	
COC(=O)[C@]1(C)CCCN(Cc2c(O)ccc3ccccc23)C1	840182810	AHQXIOOWTSAOBA-LJQANCHMSA-N	313.397	3.321	10	20	DGCD	
COc1ccc(CN[C@H]2CCN(C(=O)c3ccccc3)C2)cc1C	1018433230	CLDHFNDWJNRTFH-SFHVURJKSA-N	324.424	3.008	10	20	DGCD	
CC(C)c1ccc(-n2nnnc2Sc2nccs2)cc1	920960799	KGGHESVUQLNKPG-UHFFFAOYSA-N	303.416	3.393	10	20	DGCD	
CCC[C@@H](NC(=O)NCc1cc(C)ccc1O)c1ccccn1	858190468	DRQAHVXASFNTLQ-MRXNPFEDSA-N	313.401	3.436	10	20	DGCD	
CN1CCN(c2ccc(CN[C@H]3CCC34CCCC4)cc2)CC1	758592076	FDALPJOQOZYHKV-IBGZPJMESA-N	313.489	3.251	10	20	DGCD	
Cc1ccc([C@@H](O)CN[C@@H](C)c2cc(F)cc(F)c2O)cc1	756461540	UIBILNSCGGZCJT-ZBEGNZNMSA-N	307.340	3.363	10	20	DGCD	
CC[C@H](C)[C@H]1CCCCN1Cc1cc2c(cc1O)OC[C@H]2O	768444547	CNFFTPZZKHGOHG-XGWLTEMNSA-N	305.418	3.219	10	20	DGCD	
COc1ccc(N(CC(C)C)C[C@H]2CC3(CC3)C(=O)O2)cc1	763724245	PSISGDAEAZJOSF-MRXNPFEDSA-N	303.402	3.253	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@H](CO)CC2CCOCC2)c(O)c1	1117749719	AEIGXYVSJGKAAH-DOTOQJQBSA-N	321.461	3.085	10	20	DGCD	
CC[C@@]1(C)COCCN1Cc1cc(Cl)cc(C(C)=O)c1O	761110443	OZPAZIOFXGIHRB-INIZCTEOSA-N	311.809	3.249	10	20	DGCD	
CN(C[C@@H]1CC1(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1	1118530523	QBVCXBOQTGINHI-ZDUSSCGKSA-N	307.413	3.079	10	20	DGCD	
COCCOc1ccccc1NCc1cc(OC)ccc1O	775755036	DQYHNDDBRUJRPR-UHFFFAOYSA-N	303.358	3.038	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)c(O)c1O	770473734	SCAPLSLZHSMEDD-UHFFFAOYSA-N	315.369	3.123	10	20	DGCD	
C[C@@H](CCNC(=O)N[C@H](C)c1ccccc1O)N1CCCCC1	875486073	VLSLGLLWUKMDTD-LSDHHAIUSA-N	319.449	3.017	10	20	DGCD	
C[C@H](CNCc1cc(Cl)cc(F)c1O)CC1(C)OCCO1	877670667	UPUTWHDMQWVSGT-JTQLQIEISA-N	317.788	3.064	10	20	DGCD	
COc1cc(F)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1O	774915774	VDNOSMBKSAEZPN-UHFFFAOYSA-N	322.292	3.069	10	20	DGCD	
C[C@@H](NCc1noc(C(C)(C)C)n1)c1ccc(N(C)C)cc1	777584585	SPCDCZUNKDKXPA-GFCCVEGCSA-N	302.422	3.284	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1C[C@@H](O)Cc2ccccc21	789761931	MOXJROFFFQZLKG-ZDUSSCGKSA-N	307.752	3.108	10	20	DGCD	
COc1ccc(CNc2ccc(F)c([C@H](C)O)c2)c(O)c1OC	894434556	GKTZQYDPQAPUFB-JTQLQIEISA-N	321.348	3.214	10	20	DGCD	
COc1ccc(CN[C@H](C)Cc2cccs2)c(O)c1OC	892521465	VFXWSJUEEZJMKY-LLVKDONJSA-N	307.415	3.192	10	20	DGCD	
CC[C@H](C)CC[C@H](O)CC(=O)NCc1ccc(N(C)C)c(F)c1	793281433	QMDXOEFENXRIKA-ZFWWWQNUSA-N	324.440	3.085	10	20	DGCD	
Cc1cc(OC(C)C)ccc1NC(=O)c1cccc(O)c1O	790554165	FZYJPLZJOWYSEQ-UHFFFAOYSA-N	301.342	3.446	10	20	DGCD	
CCc1cccc(CNC[C@H]2CCN2Cc2ccccc2)c1O	716299086	RDEWSKPDHMIXNR-LJQANCHMSA-N	310.441	3.319	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC([C@@H]2CCNC2)CC1	1327004275	JPAGMBLRWWTSTL-LJQANCHMSA-N	313.489	3.108	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCC(=O)N2CCC[C@@H](C)C2)c(O)c1	1343914571	BLJGNHDPTAJGLS-CZUORRHYSA-N	318.461	3.308	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)c2ccc(F)cc2)cc1	1603724742	VAXJVXXLQULUAP-KRWDZBQOSA-N	316.376	3.197	10	20	DGCD	
O=C(O)c1cccc(C(=O)CSc2ncc(Cl)s2)c1	1608928510	TYBCGWWQYAEUCT-UHFFFAOYSA-N	313.787	3.470	10	20	DGCD	
Cc1oc(CN(C)Cc2cc(Cl)ccc2O)cc1C(=O)O	1600843052	WRBVNFCBKCKSIM-UHFFFAOYSA-N	309.749	3.277	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1ccc(F)c(F)c1O	1580339706	AFNMZOBOYRDCNB-UHFFFAOYSA-N	304.340	3.082	10	20	DGCD	
Cc1ccc(NS(=O)(=O)c2cccc3nsnc23)c(C)c1	14255351	DMHHBRSRZNGRDD-UHFFFAOYSA-N	319.411	3.109	10	20	DGCD	
CCc1ccc([C@@H](C)C(=O)NCc2cc(OC)ccc2O)cc1	114542420	QLYYYHFMBBTHRJ-CYBMUJFWSA-N	313.397	3.383	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@](C)(O)C1	152504803	XDSSYXKOXLDYMB-QGZVFWFLSA-N	318.442	3.143	10	20	DGCD	
CCn1c(C(=O)NCc2ccc(O)c(O)c2)cc2ccccc21	159021066	VOQNAEWWDHFERA-UHFFFAOYSA-N	310.353	3.002	10	20	DGCD	
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	173024710	RVFYVBUIMCTLQI-LALPHHSUSA-N	324.371	3.029	10	20	DGCD	
Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1O	181225774	PGQWSPRXPUFBFI-UHFFFAOYSA-N	311.381	3.215	10	20	DGCD	
O=C1CC[C@@H]2CN(C(=O)/C=C/c3cccnc3)c3cccc1c32	184376931	WOQURMJHOSFACK-VIIAAUOXSA-N	304.349	3.202	10	20	DGCD	
C[C@H](NCCNC(=O)c1ccco1)c1ccc2ccccc2c1O	184917135	WWOBQBBESPFWRR-ZDUSSCGKSA-N	324.380	3.219	10	20	DGCD	
COCCN(C)CCCN[C@H](C)c1ccc2ccccc2c1O	185008721	NWSRJKDGIGHPDV-OAHLLOKOSA-N	316.445	3.164	10	20	DGCD	
CCC(CC)c1nnc(NC(=O)c2cccc(O)c2O)s1	186865431	PVDMDDZWQXXJPK-UHFFFAOYSA-N	307.375	3.105	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@@H](C)c2ccc(F)c(F)c2O)cc1	191194144	AHRQGJOESOYABK-BONVTDFDSA-N	323.339	3.063	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H]2CCN(CC(F)(F)F)C2)c(O)c1	193503711	FTOANGTWHQKDBA-CHWSQXEVSA-N	316.367	3.235	10	20	DGCD	
CC[C@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1O	193504241	BQVGLWQCVIKKPR-JSGCOSHPSA-N	316.367	3.317	10	20	DGCD	
COc1ccc(O)c(CNC[C@]2(N(C)C)CCC[C@@H](C)C2)c1	237204728	SIHNIWUFIYAEQH-KDOFPFPSSA-N	306.450	3.001	10	20	DGCD	
Cc1ncccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1	237509859	DAFZLZYGPWYKPV-HNNXBMFYSA-N	311.429	3.077	10	20	DGCD	
CC(C)n1ncnc1CN(Cc1ccc(N(C)C)cc1)C1CC1	279909747	FGJKWSJEUNLTHE-UHFFFAOYSA-N	313.449	3.090	10	20	DGCD	
CC[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1O	285703040	PCXPXMAXSLTTKP-RDJZCZTQSA-N	307.340	3.445	10	20	DGCD	
COc1cccc(CNCc2ncc(CSC)s2)c1O	293863983	IMTUSELRCNRMTO-UHFFFAOYSA-N	310.444	3.010	10	20	DGCD	
CC[C@@H](NCCc1nccnc1C)c1cccc(Cl)c1O	294980964	KPGIBTRVWNFVJJ-CQSZACIVSA-N	305.809	3.427	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CC4)C3)ccc21	452278558	UMYIXKMUWKKASD-UHFFFAOYSA-N	312.413	3.141	10	20	DGCD	
Cc1cc(Br)cc(CN2CC[C@H](CF)C2)c1O	711501394	DXMNGIIDMWRPKD-SNVBAGLBSA-N	302.187	3.255	10	20	DGCD	
CCCCO[C@@H](C)C(=O)NCc1ccc(N(CC)CC)c(F)c1	731345540	ARGFGBKXNGRBSU-AWEZNQCLSA-N	324.440	3.493	10	20	DGCD	
CC[C@H](C[C@H](C)CO)NCc1cccc(Br)c1O	743499195	JJMGGZFPIOEQIX-CMPLNLGQSA-N	316.239	3.041	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCN3CCC[C@@H]3C2)c2c(O)ccc(F)c21	756416032	GIIFYOKAJFILNV-COMQUAJESA-N	304.409	3.296	10	20	DGCD	
C[C@H]1C[C@H](NCCCN2CCCCC2=O)c2c(O)ccc(F)c21	756553589	GYFSNNDIUQZLOE-JSGCOSHPSA-N	320.408	3.072	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H]2CCCc3c[nH]nc32)c2c(O)ccc(F)c21	756761903	NBMPYOQBMSOOOJ-JIMOISOXSA-N	301.365	3.470	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl	757857474	URDFHTGTPSQPBL-SWLSCSKDSA-N	324.852	3.480	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC1(O)CCC1	760079489	WPAXESYBWGXQQZ-UHFFFAOYSA-N	318.442	3.143	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCN(Cc2ccsc2)CC1	768208119	NGMMFIFJZBHCOP-UHFFFAOYSA-N	322.861	3.425	10	20	DGCD	
Cc1cccc2c1C(=O)N[C@@H](c1cc(Cl)cc(F)c1O)N2	768265256	ASYOWESKZSQQCZ-AWEZNQCLSA-N	306.724	3.347	10	20	DGCD	
Cc1ccc(F)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1F	773749649	SCZCBTDUYINZKN-JTQLQIEISA-N	321.323	3.045	10	20	DGCD	
CCC1(CC)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	774887136	OSFFYMOWVTZHCV-UHFFFAOYSA-N	308.378	3.321	10	20	DGCD	
C[C@@H](NC(=O)NOC1CCCCC1)c1ccc(N(C)C)cc1	777638034	QYLADNQPTYNQPQ-CYBMUJFWSA-N	305.422	3.377	10	20	DGCD	
CN1CCC(C)(CNCc2cc(Cl)cc(F)c2O)CC1	780780792	AHANTWVGMVMEHM-UHFFFAOYSA-N	300.805	3.006	10	20	DGCD	
CC(C)Cc1ccccc1C(=O)NCCc1ccc(O)c(O)c1	790793456	BWGKEYOGUBGYSZ-UHFFFAOYSA-N	313.397	3.269	10	20	DGCD	
CCC1CCC(CNC(=O)NCc2ccc(OC)cc2O)CC1	792928165	INYXIMUUVPUSIU-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
Cc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)n[nH]1	792992223	NGRVBZKFNXVLIN-UHFFFAOYSA-N	312.339	3.093	10	20	DGCD	
COc1ccc(CNC(=S)Nc2ccc(C)cc2)c(O)c1	795030369	AEMPMLWSPNSIPL-UHFFFAOYSA-N	302.399	3.196	10	20	DGCD	
CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccnc1	797798095	PPIFQMVUYHQSMJ-GOSISDBHSA-N	311.429	3.204	10	20	DGCD	
CCOc1ccc(CNc2ccc(OC(F)F)nc2)c(O)c1	801738951	ISQSXQFZXPIUPY-UHFFFAOYSA-N	310.300	3.399	10	20	DGCD	
C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1ccccc1O	802777381	LEPFUKHRYKOORZ-AWEZNQCLSA-N	308.381	3.299	10	20	DGCD	
O=C(COC(=O)C(C1CCC1)C1CCC1)c1ccc(O)c(O)c1	803788364	QGIRMIZKZGSUFS-UHFFFAOYSA-N	318.369	3.040	10	20	DGCD	
CN(C)c1ccc(CNc2cccc3c2COC3=O)cc1F	809791784	WWHPLDQNSXNGHY-UHFFFAOYSA-N	300.333	3.174	10	20	DGCD	
CN(C)c1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1	810001787	LRHSRVHZNCFOTG-UHFFFAOYSA-N	310.397	3.259	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](c2ccco2)C1	816518660	JFKUFGDJVSFKMZ-OAHLLOKOSA-N	311.740	3.351	10	20	DGCD	
O=C(CCNCc1ccc2ccccc2c1O)N1CCCCC1	816536044	KGHNDPXDADOESF-UHFFFAOYSA-N	312.413	3.038	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(C2CCC2)C2CCC2)cc1	817942703	QGSOGGMWIRASIH-GOSISDBHSA-N	301.478	3.311	10	20	DGCD	
CC[C@H](NC[C@H](N)C1CC1)c1cc(Cl)cc(Cl)c1O	817964577	CPUDPJMRFJKJSI-STQMWFEESA-N	303.233	3.477	10	20	DGCD	
O[C@@H](CCc1ccccc1)CNc1ccccc1OCCF	819488606	ORXSOLVORYAYRL-INIZCTEOSA-N	303.377	3.441	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](O)CNCc1cc(Cl)c(F)cc1O	827733817	OZWKTSNCRWWWPW-GTNSWQLSSA-N	323.795	3.439	10	20	DGCD	
Cc1cc(CN(C)CCn2cccn2)ccc1N1CCCCC1	827797236	CNUGUEOXBDFBNE-UHFFFAOYSA-N	312.461	3.314	10	20	DGCD	
COc1cc(N2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC	840391749	NPHKWLDDZZTIJZ-GFCCVEGCSA-N	306.362	3.238	10	20	DGCD	
COCC[C@@H](C)CN[C@H](C)c1cc(Br)ccc1O	840837816	VUPCCWUWVJVZPK-GHMZBOCLSA-N	316.239	3.478	10	20	DGCD	
CCO[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C12CCCC2	841299493	HQWKCDQXXMWVCH-GJZGRUSLSA-N	303.406	3.128	10	20	DGCD	
C[C@H](N[C@H]1CCN(CC(F)F)C1)c1cc2c(cc1O)CCCC2	841766027	XWNSYJWUKSTNOS-WFASDCNBSA-N	324.415	3.261	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](CO)c2c(F)cccc2F)c1O	846151698	DWNKRUIXENPILP-QMTHXVAHSA-N	323.339	3.063	10	20	DGCD	
COc1cc(CN[C@H](C)c2csnn2)c(O)c(C(C)(C)C)c1	850326824	CNOJMVCHCBSJCB-SNVBAGLBSA-N	321.446	3.401	10	20	DGCD	
CN(C)c1ccc(/C=C/CN(CC(=O)O)CC(C)(C)C)cc1	854244087	PAUPLXHHPGJJMK-VOTSOKGWSA-N	304.434	3.199	10	20	DGCD	
CC1CCN(c2ccc(C(=O)N(C)c3ccc(N)cc3)cn2)CC1	877077767	UEVAMVKHNIZQIE-UHFFFAOYSA-N	324.428	3.177	10	20	DGCD	
Nc1ccc(OCc2cn([C@H]3CCCc4ccccc43)nn2)cc1	881213791	HXPYCOBYTLIXKW-IBGZPJMESA-N	320.396	3.365	10	20	DGCD	
CCCCNCc1ccc(N2CCOCC2)cc1C(F)(F)F	916835137	BTXJKWNBASJJKW-UHFFFAOYSA-N	316.367	3.432	10	20	DGCD	
CC(C)[C@@H](O)C(C)(C)CNCc1cc(F)c(N(C)C)cc1F	1118851773	DJJBTCXBESFDIS-MRXNPFEDSA-N	314.420	3.164	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCC[C@H]1O	1341944718	KPYFMDXQPHOADB-PKOBYXMFSA-N	302.462	3.270	10	20	DGCD	
C[C@@H](OC1CCCCC1)C(=O)NCc1cc(Cl)ccc1O	1349649257	CADJQOQXJQRKCS-LLVKDONJSA-N	311.809	3.400	10	20	DGCD	
Cc1ncccc1/C=C/C(=O)N1CC[C@H](C(=O)O)c2ccccc21	1594471237	UPKSZGDZLCGCFS-FDMDGMSGSA-N	322.364	3.008	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)c1ccncc1	1595278116	ACDFZNLUWSCKRP-ABAIWWIYSA-N	300.358	3.287	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)O[C@H](C)C(=O)O)c1C	1607870599	UFAFPKAQIVNKRB-CYBMUJFWSA-N	301.342	3.032	10	20	DGCD	
O=C(CSc1ncc(C(=O)O)s1)c1ccc2c(c1)CCC2	1608355712	RAXBKRLHKHYNGB-UHFFFAOYSA-N	319.407	3.305	10	20	DGCD	
CSc1ccc(N[C@@H](C)c2cc(C(=O)O)ccc2O)nc1	1610384773	MXIVRBFRHIBXCI-VIFPVBQESA-N	304.371	3.380	10	20	DGCD	
C[C@@H]1CCCCN1C(=O)COc1ccc(N2CCCC2)cc1	178192963	NVPLGGKRDFLSNJ-OAHLLOKOSA-N	302.418	3.067	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)N1CCCCCC1	118783723	DFWOXNOCEJWDML-MRXNPFEDSA-N	318.461	3.395	10	20	DGCD	
COc1cccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1O	68488718	UPOKKTNMSUFFDO-UHFFFAOYSA-N	315.413	3.233	10	20	DGCD	
CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2cc(F)ccc2O)C1	185658153	IWIUOZRMGAAOGR-BBLNCHDKSA-N	313.438	3.262	10	20	DGCD	
C[C@@H](NC[C@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1	189311876	AAANIIBVOSMLOT-GJYPPUQNSA-N	302.462	3.489	10	20	DGCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1c1ccccc1	185737825	LWIFLQVGEYJTTD-UKRRQHHQSA-N	311.381	3.364	10	20	DGCD	
CSCC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C	133673576	JYBQIYDZXRYHAU-ZDUSSCGKSA-N	309.479	3.002	10	20	DGCD	
COc1cccc(CNC(=O)C(C)(C)c2ccc(F)cc2)c1O	131292320	IZBDCNSDLMEPGQ-UHFFFAOYSA-N	317.360	3.134	10	20	DGCD	
CC[C@](C)(NC(=O)Cc1ccc(N)cc1)c1nc(C)cs1	236918506	GXCSSTJGNSRSMS-INIZCTEOSA-N	303.431	3.018	10	20	DGCD	
Cc1ccc(O)c(CN2CCO[C@H](c3cccc(F)c3)C2)c1	92975801	BCDMEBMZLIKTSF-SFHVURJKSA-N	301.361	3.413	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	262139170	MFZZSFPOBNLRFO-OLZOCXBDSA-N	314.351	3.296	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccccc2O)[C@@]12CCCO2	364338595	BDAVBMJSUJENQV-OWLYRPNTSA-N	305.418	3.160	10	20	DGCD	
C[C@H](N[C@@H](C)c1cc(Br)ccc1O)c1cnn(C)c1	273578026	MCZIFSZRZKGJKO-UWVGGRQHSA-N	324.222	3.300	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CCO[C@H](C(C)C)C2)c(O)c1	271455825	FKGWJOCHQOTHMD-YJBOKZPZSA-N	307.434	3.474	10	20	DGCD	
Cc1ccccc1[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	272368207	DCMYQTDYHJOMPS-DYLHUKMJSA-N	323.392	3.436	10	20	DGCD	
CC[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccccc1O	274769501	MGKKALSCJULUHH-MRXNPFEDSA-N	311.385	3.485	10	20	DGCD	
Cc1n[nH]cc1CN[C@@H](C)c1cc(Br)ccc1O	273515497	SNAFOIGHPOVSJS-VIFPVBQESA-N	310.195	3.037	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1	284267088	GRTAHIVDFASVKA-KGLIPLIRSA-N	316.228	3.417	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ncccc2N(C)C)cc1	289722484	GCQDAESCEYUHKL-UHFFFAOYSA-N	312.461	3.284	10	20	DGCD	
C[C@@H](NCC1=CCCOC1)c1ccc(Br)cc1O	286971974	ILXFDUXNMIEPIF-SNVBAGLBSA-N	312.207	3.152	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1ncnn1-c1ccccc1	282138337	ZGMGKZIGQJTJER-UHFFFAOYSA-N	322.412	3.385	10	20	DGCD	
COc1cccc2c1CCCN2Cc1c[nH]nc1-c1cccnc1	556909593	HPYNQNWRIZWIKT-UHFFFAOYSA-N	320.396	3.433	10	20	DGCD	
COc1cccc(CN[C@H](c2cccs2)C(C)(C)CO)c1O	296060696	QLCKVWHPECZTEW-MRXNPFEDSA-N	321.442	3.312	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCCO[C@H]2CCOC2)c1O	808702135	SGUGSJUTNZIMRS-OCCSQVGLSA-N	313.825	3.200	10	20	DGCD	
Cc1cccc(CNC[C@@H]2CCN(c3ccccc3F)C2)c1O	291060817	PJTFVKLAVYWNPX-HNNXBMFYSA-N	314.404	3.456	10	20	DGCD	
CC(C)(C)OCCCC(=O)NCc1c(O)ccc2c1CCCC2	802785435	SSLGSNJPZCGYPG-UHFFFAOYSA-N	319.445	3.483	10	20	DGCD	
CCc1nocc1CN(Cc1ccccc1O)C[C@H]1CCCO1	816481525	ZHASOTHXVWMZSO-MRXNPFEDSA-N	316.401	3.124	10	20	DGCD	
CNc1ccccc1C(=O)NCc1ccc2c(c1)CCCN2C	816910937	XBWABSJQUUOWLV-UHFFFAOYSA-N	309.413	3.041	10	20	DGCD	
CC(C)[C@H](CO)CN[C@H](C)c1cccc(C(F)(F)F)c1O	815626248	ZHYBNXQFEMRASP-MNOVXSKESA-N	305.340	3.326	10	20	DGCD	
C/C=C\C[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)OCC	816591578	IOGKGPORFLXVPB-HSBHDXMMSA-N	315.772	3.172	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1Cl	824769694	XXRCXJJOJYCTHE-WCQYABFASA-N	323.742	3.242	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1[C@@H]2CCC[C@@H]12	820006201	NMCCVTBFQBNNRR-CHWSQXEVSA-N	318.380	3.381	10	20	DGCD	
C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C	729506946	ANKMYEAFTSOXDH-BBRMVZONSA-N	301.434	3.057	10	20	DGCD	
C/C=C\C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728839255	AHJOCLOUIZBDLP-PLNGDYQASA-N	300.324	3.220	10	20	DGCD	
COc1cc(CN(C)Cc2noc(C)n2)c(O)c(C(C)(C)C)c1	827898672	SDZGXHWIYJIWLW-UHFFFAOYSA-N	319.405	3.022	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCCOC(C)C	839920697	SJRHPYJWUMAJHR-MRXNPFEDSA-N	320.477	3.313	10	20	DGCD	
Cc1noc(C2CN(Cc3cc(-c4ccccc4)ccc3O)C2)n1	839130717	FZOOTJRMISCOOG-UHFFFAOYSA-N	321.380	3.350	10	20	DGCD	
Cn1c(=O)c(CN[C@@H]2CCc3cccc(O)c32)cc2ccccc21	834806548	DXRGVDICXFOXRW-MRXNPFEDSA-N	320.392	3.021	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](OCC(F)(F)F)C2)cc1	916836789	MXPIPXZXFYKRBF-HNNXBMFYSA-N	316.367	3.296	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC1CC2(CCC2)C1	845004099	WFTGHADISXHIPV-UHFFFAOYSA-N	311.429	3.195	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)C(=O)N(C)CC2	840936252	HPQSIABSJUXKLF-UHFFFAOYSA-N	323.440	3.301	10	20	DGCD	
FC(F)Oc1cc(CNCc2ccc3c(c2)CCCO3)ccn1	922115526	KNACRRCHLKZQFS-UHFFFAOYSA-N	320.339	3.298	10	20	DGCD	
CNCCC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	843057122	CFJVWQDSNAYCOC-UHFFFAOYSA-N	315.505	3.498	10	20	DGCD	
CCN1CCC[C@@H]1CN[C@@H](C)c1cc2c(cc1O)CCCC2	756356367	AKJRDKCWBPVHNR-WMLDXEAASA-N	302.462	3.406	10	20	DGCD	
CCCN(CCC)C(=O)CN(C)c1ccc(OC)c(Cl)c1	757857961	UDPORWZRSDOONU-UHFFFAOYSA-N	312.841	3.433	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCCC2(F)F)c1	858500546	ISBYSTDDVIJOQF-ZDUSSCGKSA-N	312.360	3.325	10	20	DGCD	
C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1O	756787777	RTODRVPFEFIGSK-CMPLNLGQSA-N	313.344	3.007	10	20	DGCD	
C[C@H](N[C@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1O	850536646	IPGLNOJVUOKXQZ-IINYFYTJSA-N	305.324	3.325	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCSC1	761855517	OLDWEQLCEKBRAA-MRXNPFEDSA-N	318.486	3.388	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCO[C@H](c3ccco3)C2)cc1F	862250894	RRECKEIRGPQYOM-KRWDZBQOSA-N	322.355	3.197	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C(=O)O)[C@@H](C)C2)cc1	863738657	DAHJLSVPVKJHJT-WMLDXEAASA-N	304.434	3.075	10	20	DGCD	
Cn1nccc1[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1116442020	CULNKVUPXFZAOL-SFHVURJKSA-N	324.472	3.400	10	20	DGCD	
CC[C@@H](N[C@@H]1CCn2ccnc2C1)c1cc(Cl)ccc1O	779067358	VZBNVDPYQWIEHB-TZMCWYRMSA-N	305.809	3.298	10	20	DGCD	
CC(C)C1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1	779530832	ATXZCDFQZOCIBG-ONNFQVAWSA-N	303.402	3.442	10	20	DGCD	
C[C@@H](NC(=O)N1CCC2(CCC2)C1)c1ccc(N(C)C)cc1	773614917	UQIRGMFQHHZFES-CQSZACIVSA-N	301.434	3.399	10	20	DGCD	
CC(=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775412387	XLSPBHRPBALULE-ZDUSSCGKSA-N	310.397	3.446	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2ccc(OC)cc2O)C12CCCC2	776224265	RQRHYIKPLUYCCL-IRXDYDNUSA-N	305.418	3.228	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H](O)Cc1cccc(Cl)c1	877811753	VZEHJPFADSNVEN-OAHLLOKOSA-N	305.805	3.047	10	20	DGCD	
Cc1ccc(Cl)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773745646	PCCYGZNYGZTDEI-LLVKDONJSA-N	319.788	3.421	10	20	DGCD	
Cc1ccccc1CCCn1cc(COc2ccc(N)cc2)nn1	881345754	CWAQENCXWXTZNE-UHFFFAOYSA-N	322.412	3.381	10	20	DGCD	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F	886526373	LHOPDKCAWGOSDP-RYUDHWBXSA-N	324.396	3.191	10	20	DGCD	
C[C@H](NCC1CCN(CC2CC2)CC1)c1c(O)cccc1F	886640349	XGZPIPKMVOGEFW-ZDUSSCGKSA-N	306.425	3.304	10	20	DGCD	
C[C@H](O)CN(Cc1ccccc1)Cc1cc(F)cc(F)c1O	893994829	KAZMZDOAPOLJDN-LBPRGKRZSA-N	307.340	3.053	10	20	DGCD	
COc1ccc2c(c1)N(C(=O)/C=C/c1cnccc1C)C[C@H](C)O2	784049832	RNSWJEIXZCIEGW-GBXSZLQWSA-N	324.380	3.226	10	20	DGCD	
CCC(C)(C)N(C)C(=O)NCc1ccc2c(c1)CCCN2C	798433276	BCMOHTPZSLRAMZ-UHFFFAOYSA-N	303.450	3.399	10	20	DGCD	
COc1ccc(CNC(=O)CCc2cc(C)cc(C)c2)c(O)c1	794390752	PZZRSCPURFYPNZ-UHFFFAOYSA-N	313.397	3.267	10	20	DGCD	
CC[C@@](C)(O)CNCc1ccc2c(c1)CCN2Cc1ccccc1	796287573	LZEDXTYBNQJIIV-OAQYLSRUSA-N	324.468	3.500	10	20	DGCD	
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NCc1ccc(N)cc1	1337018325	KDDCLLPEEIOFLQ-HOTGVXAUSA-N	319.449	3.004	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N(C)Cc1cccs1	1339248266	UTWMGUJMWBZDPO-UHFFFAOYSA-N	320.443	3.430	10	20	DGCD	
CCCN(Cc1ccc(/C=C\C(=O)O)o1)c1ccc(CN)cc1	1605318594	MYDGAOPUNLHSTG-KTKRTIGZSA-N	314.385	3.253	10	20	DGCD	
Nc1ccc(CNC(=O)c2nc3ccccc3nc2C2CC2)cc1	1580445610	MDRRPAWLDLREBG-UHFFFAOYSA-N	318.380	3.019	10	20	DGCD	
CC(C)SCCN(CC(=O)O)Cc1cc(Cl)ccc1O	1591823901	PZLKQFSGBOYMIU-UHFFFAOYSA-N	317.838	3.074	10	20	DGCD	
C[C@H](NCCc1ccc(F)c(F)c1)c1cc(C(=O)O)ccc1O	1593275383	SHRPSJZIDKTDHD-JTQLQIEISA-N	321.323	3.262	10	20	DGCD	
C[C@@H]1CC[C@@](NCc2ccc(N3CCCCC3)cc2)(C(=O)O)C1	1776628174	BUBUUWMVWMPEEH-BEFAXECRSA-N	316.445	3.410	10	20	DGCD	
CC(C)Oc1ccc(CNCc2ccc(C(=O)O)cc2O)cc1	1776358079	CNVYVCDFYMUEGI-UHFFFAOYSA-N	315.369	3.167	10	20	DGCD	
CCN1C(=O)/C(=C\c2cnn(-c3ccccc3)c2)SC1=S	16881001	MEENHJVAEMSFKM-MDWZMJQESA-N	315.423	3.093	10	20	DGCD	
CCCN(CCC)C(=O)NCCCSc1nccs1	154658961	PQKWZRGECSMOMO-UHFFFAOYSA-N	301.481	3.457	10	20	DGCD	
Cc1ncccc1CCNCc1ccc(Br)cc1O	898251764	LBBLMORARVUBOY-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
NC[C@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2	312750998	XBZQAPUQPOQPGN-NHYWBVRUSA-N	315.244	3.260	10	20	DGCD	
CN(Cc1ccc(Br)cc1O)C[C@H]1CCCOC1	691677331	NBEPOZDVTVAPBK-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
CCN(C)[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1	103190138	KSVHBDZCNFPCTK-SFHVURJKSA-N	312.413	3.044	10	20	DGCD	
CN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCOC1	107670233	BGNKERPSWCMTHL-ZDUSSCGKSA-N	307.434	3.254	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)c3cccnc3)CC2)cc1	112541432	HBPKVPJUBOVIKM-OAHLLOKOSA-N	311.429	3.410	10	20	DGCD	
OC[C@@H](C1CC1)N(Cc1ccccc1)Cc1cc(F)ccc1O	184789148	CETKAZHHNRVLDK-SFHVURJKSA-N	315.388	3.304	10	20	DGCD	
CCN(CC)C(=O)C1(NCc2ccccc2O)CCCCC1	76868638	NHMADXKTAJSARN-UHFFFAOYSA-N	304.434	3.053	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cc3ccccc3[nH]c2=O)c1	182464581	LOUSNLPNFBMKHJ-LBPRGKRZSA-N	324.380	3.093	10	20	DGCD	
CC(C)OC(=O)C[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	185582755	UPKYNXXVGJZPMS-ZDUSSCGKSA-N	309.381	3.085	10	20	DGCD	
COc1cc(Cl)cc(CNc2cccc(CCO)c2)c1O	313144225	QTVOIVSJTKHUBD-UHFFFAOYSA-N	307.777	3.201	10	20	DGCD	
C[C@H](NCc1cccc(CN2CCCC2=O)c1)c1ccccc1O	183415418	OFQZGUWRGVNBGI-HNNXBMFYSA-N	324.424	3.365	10	20	DGCD	
OCCSc1ncc(-c2ccccc2)n1Cc1ccco1	192879200	YORYXADXLMNQJX-UHFFFAOYSA-N	300.383	3.276	10	20	DGCD	
Cc1ccc(O)c(CN2CCCN(C(=O)OCC(C)C)CC2)c1	92754480	TZTDANJVVHUJEK-UHFFFAOYSA-N	320.433	3.001	10	20	DGCD	
CCN(C[C@@H](O)COCc1cccs1)c1ccc(OC)cc1	269653699	VSXYDLRIXUDIGD-OAHLLOKOSA-N	321.442	3.161	10	20	DGCD	
C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1O	273424977	TVDWYWMRXKNXBM-LBPRGKRZSA-N	316.376	3.084	10	20	DGCD	
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cncs1	362850439	LEALMVIXINBAKT-WEVVVXLNSA-N	315.785	3.451	10	20	DGCD	
C[C@@H](NC1CCN(C(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1O	273490346	OBXFXWPJEMLHCM-GFCCVEGCSA-N	321.421	3.214	10	20	DGCD	
CCC[C@@]1(C)NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	277960624	HXLCQZSIUZZVQH-CYBMUJFWSA-N	316.188	3.191	10	20	DGCD	
CC(C)OC[C@@H]1CN(Cc2c(O)ccc3ccccc23)CCO1	372117453	SRDPEZWNJDPUCX-INIZCTEOSA-N	315.413	3.171	10	20	DGCD	
CC(C)c1ccoc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	285855406	QLNVAMOHNJYDSH-NSHDSACASA-N	303.358	3.175	10	20	DGCD	
Cc1c(CNC(=O)N2CC[C@@](C)(F)C2)n(C)c2ccccc12	472220735	JJKYRNKROXPVDD-QGZVFWFLSA-N	303.381	3.130	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCCNc2ncccn2)c1O	808701025	NYFCOQMENMDXIK-GFCCVEGCSA-N	320.824	3.297	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCCc3occc3C2)c1O	808797094	HMFONGQLJUYYCS-UHFFFAOYSA-N	303.333	3.275	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCC[C@H](O)c1ccccc1	809747721	VAXGWSSALNZINC-AWEZNQCLSA-N	309.768	3.398	10	20	DGCD	
CC(C)c1nnc(CNCc2ccc(N3CCCCC3)cc2)[nH]1	294753045	IKPHNAIAUPOAPF-UHFFFAOYSA-N	313.449	3.208	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](OC)C1	815797293	KJJFUFHNCHCZQW-GDBMZVCRSA-N	305.418	3.336	10	20	DGCD	
CC[C@@H](NCc1nccn1C)c1ccc(C(F)(F)F)cc1O	810216353	TXKVGNFURCDKKB-GFCCVEGCSA-N	313.323	3.385	10	20	DGCD	
CCN(CC)CCOCCN[C@@H](C)c1c(C)cc(C)cc1O	815616811	YRIGMQFORQLSJA-INIZCTEOSA-N	308.466	3.018	10	20	DGCD	
COC(=O)c1cnc(SCc2cccc(N(C)C)c2)s1	829677668	HHVGOROXXSKGFR-UHFFFAOYSA-N	308.428	3.288	10	20	DGCD	
Cc1ccc([C@H](C)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c(O)c1	834898918	SSFIXYKARJVKFA-SGTLLEGYSA-N	312.369	3.099	10	20	DGCD	
CC1=CC[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1	839145870	UMIBWPATVRGKKI-HNNXBMFYSA-N	322.399	3.390	10	20	DGCD	
C[C@@H](CCCC(F)(F)F)NC(=O)c1c(F)ccc(O)c1O	830418655	JLMONFQWTJSABE-ZETCQYMHSA-N	309.259	3.088	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)c(O)c1	834899398	PRFQABIWEDXVNR-PMUMKWKESA-N	315.417	3.005	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CC[C@@H](N2CCCCC2)C1	730807120	NJLQLOSPNIQXIK-MRXNPFEDSA-N	311.429	3.001	10	20	DGCD	
CC(C)(CCC(=O)O)NCc1ccc(N2CCCCC2)cc1	901663891	GGXHBFFPHZNABH-UHFFFAOYSA-N	304.434	3.410	10	20	DGCD	
CCC[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC	834841577	XHRDGKJQTUIUHR-GOEBONIOSA-N	324.440	3.128	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnccc1C	839917606	FTBRXKHPBZCCNE-HNNXBMFYSA-N	311.429	3.125	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1NC(=S)NCc1ccc(N(C)C)c(F)c1	746685489	QRBAJJVJCKIYEY-DOMZBBRYSA-N	323.481	3.435	10	20	DGCD	
CS[C@@H](C)CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840334436	NHYVXGIZNXBWEW-KBPBESRZSA-N	323.506	3.043	10	20	DGCD	
CC(C)[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H]1C(C)C	841956121	VWWYTVJOXUPHCE-IAGOWNOFSA-N	303.450	3.133	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCc3cc(C(C)(C)C)ccc32)cn1	749805659	VEBNXANQHSAMCT-YVMONPNESA-N	309.413	3.320	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCN(C)[C@H](C)C1	840892566	BANNPEGDYXNGQR-LZLYRXPVSA-N	303.494	3.064	10	20	DGCD	
CCc1noc(NCc2cc(OC)cc(C(C)(C)C)c2O)n1	849346238	PRTQZDBJQGKHDM-UHFFFAOYSA-N	305.378	3.256	10	20	DGCD	
CCn1nc(C)c(CN(C)c2ccc(-c3nccs3)cc2)n1	846991952	HZEZFJWUJFRYTA-UHFFFAOYSA-N	313.430	3.366	10	20	DGCD	
CO[C@](C)(C1CC1)[C@@H](C)NCc1cc(Cl)c(F)cc1O	840961313	VBLOALCKTZHCMD-PSLIRLAXSA-N	301.789	3.478	10	20	DGCD	
Cn1cnc2cc(NCc3ccc(O[C@@H]4CCOC4)cc3)ccc21	850217673	INEKQEPFJYLDSH-QGZVFWFLSA-N	323.396	3.353	10	20	DGCD	
Cc1cc(C)c(CNCc2cc(F)c(N(C)C)cc2F)cn1	858174234	PQCTXVKQLRZMNH-UHFFFAOYSA-N	305.372	3.332	10	20	DGCD	
CC1=CC(C)=S=C1C(=O)Nc1ccc(N=S(C)(C)=O)cc1	868542953	AEQUWLQVXZCTEF-UHFFFAOYSA-N	322.455	3.042	10	20	DGCD	
CCN(CC)c1ccc(CN2CCN(C3CCC3)CC2)cc1	769413471	RILMHAPQVDKMSE-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cc(C)ccc1O	862754370	BTWYGZKFXRXIIF-JKSUJKDBSA-N	311.381	3.129	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1F	862360260	YWSWAUDSBQZJKU-WBVHZDCISA-N	310.388	3.174	10	20	DGCD	
CCOC(=O)c1cccnc1NCCCSc1nccs1	762802387	VANWCVIIQWEVJC-UHFFFAOYSA-N	323.443	3.309	10	20	DGCD	
Cc1nc(CN(C)c2ccc(OCCN(C)C)cc2)cs1	761220490	GLODFRNCEPPYHV-UHFFFAOYSA-N	305.447	3.028	10	20	DGCD	
COc1cccc(CCC(=O)NCc2cc(C)ccc2O)c1F	862755453	HKWGQPOFGVABFJ-UHFFFAOYSA-N	317.360	3.097	10	20	DGCD	
O=C(CCOc1cccc(Cl)c1)NCc1ccccc1O	769362052	DIKVFKZSQVOFCN-UHFFFAOYSA-N	305.761	3.131	10	20	DGCD	
C[C@@H](NC(=O)N(C)CCOC(C)(C)C)c1ccc(N(C)C)cc1	776238053	HWORAWAKEJMMCC-CQSZACIVSA-N	321.465	3.270	10	20	DGCD	
C[C@@H](O)c1ccc(CNC(=O)N[C@H](C)c2ccccc2O)cc1	875187700	OPBMZJWBJIVMJA-CHWSQXEVSA-N	314.385	3.006	10	20	DGCD	
Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccn12	773018540	VXQZZPBTLTXBLF-ZDUSSCGKSA-N	322.412	3.200	10	20	DGCD	
C[C@H]1[C@H](C)N(Cc2cc(Cl)cc(Cl)c2O)CCN1C	775985867	PJMCRFVZSWVEIK-UWVGGRQHSA-N	303.233	3.223	10	20	DGCD	
CC(C)CC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCC1	779529279	SSDWPOACKZPEBN-FNORWQNLSA-N	303.402	3.444	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCO[C@H](C)C2)cc1	776294008	LSSFPRSQTKSFHU-WBVHZDCISA-N	318.461	3.306	10	20	DGCD	
CC[C@H](NC[C@@H]1COCCO1)c1ccc(Cl)c(Cl)c1O	775490334	BYHFOBCDKFICFZ-SKDRFNHKSA-N	320.216	3.155	10	20	DGCD	
Cc1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)no1	777505601	SSTOXPGZYIUSCS-UHFFFAOYSA-N	316.361	3.494	10	20	DGCD	
CO[C@]1(C(F)(F)F)CCCN(Cc2cc(F)ccc2O)C1	783717093	HWSJIEVPCZGXIW-CYBMUJFWSA-N	307.287	3.075	10	20	DGCD	
CC[C@@H](Nc1ccc(OCC(N)=O)cc1)c1ccc(C)cc1O	794819526	ZMYBCMAPPPXGAS-MRXNPFEDSA-N	314.385	3.128	10	20	DGCD	
CC[C@@H](CCO)NCc1cc(Cl)cc(Br)c1O	708098544	JQHQCXCJNUPZFW-JTQLQIEISA-N	322.630	3.059	10	20	DGCD	
Fc1cc(CN[C@H]2CCC[C@@H]3C[C@H]23)cc(F)c1N1CCOCC1	1328759726	YVMFOZSYZCRZJC-KEYYUXOJSA-N	322.399	3.080	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](C)CC(=O)OC(C)(C)C)c1	1320071580	PYHFYCBSBQWKTB-GFCCVEGCSA-N	309.406	3.001	10	20	DGCD	
CNC[C@@H](C)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	1325743092	JKGGQSGIGYSEPU-CABCVRRESA-N	307.457	3.322	10	20	DGCD	
O=C(O)c1cnc(S[C@H]2CCO[C@@H](c3ccncc3)C2)s1	1602537213	NKOSWBDPKNMLJB-WDEREUQCSA-N	322.411	3.249	10	20	DGCD	
C[C@H](N[C@H]1C[C@@H]1Cc1ccccc1)c1cc(C(=O)O)ccc1O	1593218480	GKFHVWOFOPTABV-NUTKFTJISA-N	311.381	3.372	10	20	DGCD	
CN1CCCc2cc(CNCc3cc(C(=O)O)cs3)ccc21	1598603223	DSVPFTVYMDKAPU-UHFFFAOYSA-N	316.426	3.119	10	20	DGCD	
CCCCS(=O)(=O)N(Cc1ccccc1O)C1CCCC1	151326396	DVDVBEXMVFNDNQ-UHFFFAOYSA-N	311.447	3.267	10	20	DGCD	
CC[C@@H]1CO[C@H](C)CN1Cc1c(O)cccc1Br	707146663	QDPJWOLCPRYMHV-GHMZBOCLSA-N	314.223	3.154	10	20	DGCD	
C[C@H](CCCO)NCc1cc(Cl)cc(Br)c1O	708098606	LEPSERXOIVJVOK-MRVPVSSYSA-N	322.630	3.059	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccc4cc[nH]c4c3)ccc21	58769498	IAUVZDJDHWCFIU-UHFFFAOYSA-N	319.408	3.480	10	20	DGCD	
COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(C)c1	170717153	ATJQXHVZFCOGIY-UHFFFAOYSA-N	313.401	3.391	10	20	DGCD	
Cc1cc(C)cc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)c1	65874558	DNMOELRILOKMOA-UHFFFAOYSA-N	320.396	3.376	10	20	DGCD	
Cc1ccccc1CC(=O)NCc1ccc(N2CCCC2)cc1	28328886	AAQJVIXBSVHSJM-UHFFFAOYSA-N	308.425	3.454	10	20	DGCD	
Clc1cc(NCc2ccc(N3CCOCC3)cc2)ccn1	129663017	QLGMUDBBBHKMLO-UHFFFAOYSA-N	303.793	3.184	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@H](C)c1cc2c(cc1O)CCCC2	185511687	UCYNBXSPWZZTNT-PSTGCABASA-N	309.475	3.034	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCC2=CCNCC2)c1C	186306355	OZRVFMLYLTUDGB-UHFFFAOYSA-N	323.440	3.052	10	20	DGCD	
C[C@H](N[C@H]1CCCOCC1)c1cc(Br)ccc1O	186233998	NQDLCSAZGIVAKV-JQWIXIFHSA-N	314.223	3.374	10	20	DGCD	
CCOc1ccccc1N(C)C(=O)/C=C/c1ccc(O)c(O)c1	181261406	PWQZHMXPBXNETD-PKNBQFBNSA-N	313.353	3.173	10	20	DGCD	
COCC[C@@H](C)N[C@H](C)c1cc(Br)ccc1O	185290240	QMHOHFNYMGLVFZ-NXEZZACHSA-N	302.212	3.230	10	20	DGCD	
CN(C(=O)/C=C/c1cncc(F)c1)c1cccc2ncccc12	89843841	IPKZWLANXVZOBK-BQYQJAHWSA-N	307.328	3.445	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C\c2cnc(C)s2)cc1F	255153835	KTUBMPKUEJSMTK-ALCCZGGFSA-N	306.362	3.275	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNC[C@@]1(O)CCSC1	267061862	PHLNRCIWRATYGC-SFHVURJKSA-N	315.438	3.017	10	20	DGCD	
Cc1cccnc1[C@H](NC(=O)NCc1ccccc1O)C(C)C	265240683	OWBVCUWLVUMMSP-MRXNPFEDSA-N	313.401	3.292	10	20	DGCD	
CCN(C)C(=O)[C@@H](C)NCc1cc(-c2ccccc2)ccc1O	276755551	UEFCTVGLNZLURL-CQSZACIVSA-N	312.413	3.016	10	20	DGCD	
Cc1noc([C@H]2CCCCN2Cc2cc(C)c(C)cc2O)n1	289749918	JDDNWLYZHFTINE-OAHLLOKOSA-N	301.390	3.428	10	20	DGCD	
C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O	287384095	PRTKQCXCYRIAJT-KRTXAFLBSA-N	304.268	3.292	10	20	DGCD	
COc1ccc(N(C)Cc2cccc(OC)c2F)cc1OC	800521322	RIUQEGMFFJXYGN-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
CC[C@@H]1CC[C@H](C)N1Cc1ccc(N2CCN(C)CC2)cc1	809768605	QCIQLRMUEAZOCL-FUHWJXTLSA-N	301.478	3.201	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1cccc(F)c1	808095366	YXMRDOVORUWGID-GFCCVEGCSA-N	322.376	3.437	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCCn1cccn1	801550078	NAIQHOVXARSNFU-UHFFFAOYSA-N	315.417	3.198	10	20	DGCD	
CCC(CC)c1nnc(NC(=O)NCc2ccccc2O)s1	299511948	OAICRZOKLNLQPS-UHFFFAOYSA-N	320.418	3.469	10	20	DGCD	
CCCOc1ccc(CNCCc2ncccc2C)c(O)c1	294993505	KWUJODVXSGLYLI-UHFFFAOYSA-N	300.402	3.217	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](O)CC(C)(C)C2)c1O	295309687	VYGAXGAAPZCXRL-ZDUSSCGKSA-N	313.825	3.037	10	20	DGCD	
COCCN(Cc1ccco1)Cc1cc(Cl)c(F)cc1O	816490008	JLHFAYQZWKHWOZ-UHFFFAOYSA-N	313.756	3.426	10	20	DGCD	
CCCC[C@H](NCc1c(C)c2ccccc2n1C)C(=O)OC	481608017	LCPPMDDKLAQLKG-HNNXBMFYSA-N	302.418	3.308	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NC[C@@H](N)C(C)C)c1O	817958769	MHATWOARCQPWCF-ZWNOBZJWSA-N	315.255	3.097	10	20	DGCD	
CO[C@@H](C)[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	810174275	QVHXPKSPUUHHNM-KGLIPLIRSA-N	321.421	3.098	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ncsc2C(C)C)c1	810348567	XPTOFISPAMLWSK-JTQLQIEISA-N	320.414	3.472	10	20	DGCD	
CC(C)C[C@@H](CN)N[C@H](C)c1cccc(C(F)(F)F)c1O	817959889	WHVKONDROZCXQH-MNOVXSKESA-N	304.356	3.435	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2n[nH]cc2c1	726867252	DMVGSSIFBHAZSZ-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1nc(C2CC2)nn1C	828469852	UXNNSHYKCJYFRM-UHFFFAOYSA-N	314.433	3.200	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)[C@H](OC)C3CC3)CC2)cc1	825099385	YNOUWUOMGASPPX-LIRRHRJNSA-N	318.461	3.067	10	20	DGCD	
Cc1ccc(NC(=S)NCc2cc(N(C)C)ccn2)cc1F	905618426	NXGHKDUBXOWBNA-UHFFFAOYSA-N	318.421	3.082	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2cc[nH]n2)c1	588405507	ZHJZJDCAABSCBO-ALCCZGGFSA-N	321.336	3.140	10	20	DGCD	
CC(C)c1ccccc1OCCNC(=O)c1cc(O)cs1	732302490	HXMZIVCFLJAPDX-UHFFFAOYSA-N	305.399	3.386	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)C1(C(=O)O)CCCCC1	833694406	JUBPLPJHVAVHHG-UHFFFAOYSA-N	315.772	3.404	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cccc(Cl)n3)ccc21	749508890	MQXKHCRVQXRCSJ-UHFFFAOYSA-N	315.804	3.047	10	20	DGCD	
CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(N)cc1	841294436	CEBKCNYPVCYXSH-HNNXBMFYSA-N	313.405	3.244	10	20	DGCD	
CC[C@H](N[C@H]1CCN(CC(F)F)C1)c1ccc(N(C)C)cc1	841771613	ZWXOSPWMFZDJGI-HOCLYGCPSA-N	311.420	3.133	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2CCCN3CCCC[C@@H]23)c1O	848568260	CFTVSVIUGPYGNU-IMJJTQAJSA-N	304.434	3.068	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2nnn(C)c2C)c1	840570572	CLIGAKZXNXLEPA-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1C	914505527	JVCCVYMHMDCYOP-UHFFFAOYSA-N	313.445	3.450	10	20	DGCD	
CCc1cccc(CN2CCC(c3nc(C)no3)CC2)c1O	848882624	WCMKFYBUNIXWTO-UHFFFAOYSA-N	301.390	3.026	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)[C@@H]2CCCNC2)cc1F	841032231	AEQVSWBACUPVFD-GDBMZVCRSA-N	307.457	3.150	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)C1CCOCC1	840892827	DQVVFVGORCKDJA-HZPDHXFCSA-N	304.478	3.397	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCOC(C)C	754598802	SHKNOZXLUMYGRO-UHFFFAOYSA-N	306.431	3.310	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C(C)=C(C)C)CC2)cc1	751193038	ULKJHWAXPULXMQ-UHFFFAOYSA-N	302.418	3.090	10	20	DGCD	
CCOC(=O)c1cnc(SC(=S)N(CC)CC)s1	853085593	RJFARZBGPFQCFO-UHFFFAOYSA-N	304.462	3.039	10	20	DGCD	
C[C@H]1C[C@@H](NCCC2CCN(C)CC2)c2c(O)ccc(F)c21	756546843	SHIRRNZRLKLTCP-SWLSCSKDSA-N	306.425	3.401	10	20	DGCD	
COc1cc(CNCCc2cccnc2)c(O)c(C(C)(C)C)c1	850024244	BNEPJWUPUJTPMQ-UHFFFAOYSA-N	314.429	3.426	10	20	DGCD	
CCOc1cc(CN[C@@H](C)c2cc(OC)ccc2O)ccc1O	756683360	MJPFNHYMVSOUSU-LBPRGKRZSA-N	317.385	3.356	10	20	DGCD	
CC[C@@H](NCCN(C)CC(F)F)c1cccc(Cl)c1O	858596324	FCLRDIFMHHEUKC-GFCCVEGCSA-N	306.784	3.283	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H]2CCCN(C(=O)OC)C2)cc1	765628113	BISYORDQEDJGDR-ZBFHGGJFSA-N	319.449	3.024	10	20	DGCD	
C[C@@H](Nc1nc(C2CCOCC2)ns1)c1ccccc1O	866236412	AWBVLENIUSGOMF-SNVBAGLBSA-N	305.403	3.311	10	20	DGCD	
CN(C)c1cc(F)c(CN(C)C2C[C@@H]3CC[C@H](C2)N3C)cc1F	862364998	JRGCPWVZLYGESD-YIONKMFJSA-N	323.431	3.088	10	20	DGCD	
Cc1ncc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)s1	868934948	YOUYOLZXWRANNF-ZJUUUORDSA-N	305.403	3.279	10	20	DGCD	
Cc1cccc(O)c1CN(C)Cc1ccc([S@@](C)=O)cc1	876773863	XILKAYGBHVIZIU-OAQYLSRUSA-N	303.427	3.070	10	20	DGCD	
CC(C)c1cc(NCc2ccc(N3CCOCC3)c(F)c2)no1	777519978	VOCJCEWALXPXAF-UHFFFAOYSA-N	319.380	3.386	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)cc1C	776256506	BUHNBSVMEVQTDI-MRXNPFEDSA-N	307.434	3.465	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC4(CCCC4)C3)cc2)CC1	876725821	YMVIBLYNVKPEFD-UHFFFAOYSA-N	314.473	3.414	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1	883288803	RSYKCLUKUXURNA-QGZVFWFLSA-N	309.457	3.289	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N(C)Cc1c(O)cccc1OC	789584024	BJBSZTKWOCCTJW-MRXNPFEDSA-N	315.413	3.090	10	20	DGCD	
COc1ccc(CN[C@H](C)Cc2ccccc2C)c(O)c1OC	892623117	WEELPCGVZPSPBS-CQSZACIVSA-N	315.413	3.439	10	20	DGCD	
CCCOc1ncccc1CNCc1cc(C)cc(OC)c1O	894207193	SHVANTNBCCYAFE-UHFFFAOYSA-N	316.401	3.183	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCC[C@H]1CCCC[C@H]1O	897537455	YRHLBMQTEKFGAB-QMTHXVAHSA-N	301.789	3.216	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@@H](O)c2ccc(CC)cc2)c1	796451874	PWYSHDMJSNRDGQ-LJQANCHMSA-N	315.413	3.177	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N1[C@@H](C)CCC[C@H]1C	797726047	YXBXWVYDEBVFBS-GASCZTMLSA-N	316.445	3.237	10	20	DGCD	
CSCC[C@H](C)NCc1ccc(Br)cc1O	691469017	VRHVDXTZSFAUCQ-VIFPVBQESA-N	304.253	3.386	10	20	DGCD	
CCOCC(C)(C)NCc1ccc(Br)cc1O	691470613	WRHMTIDCNCRABB-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
COc1ccc(CNCc2ccc3c(c2)CCC3)c(O)c1OC	1334158429	YETVPQMQQLWKPL-UHFFFAOYSA-N	313.397	3.188	10	20	DGCD	
C[C@H](CO)N(Cc1ccc(N2CCCC2)cc1)CC1CCC1	1261177211	ODKWIRNDAVDPSY-MRXNPFEDSA-N	302.462	3.270	10	20	DGCD	
CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(N)cc1	1578390684	HHIJNOIECKBHJS-UHFFFAOYSA-N	305.721	3.107	10	20	DGCD	
Nc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1	160422587	PLMMDAPVPXAJNL-GOSISDBHSA-N	309.413	3.262	10	20	DGCD	
CCN(Cc1c(O)cccc1Br)C[C@@H]1CCCO1	707145018	FFGKDESYSFTOPB-NSHDSACASA-N	314.223	3.156	10	20	DGCD	
CS[C@@H]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1	1341568767	DZWSEOIGNRARKO-ZWKOTPCHSA-N	320.502	3.239	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(F)c1	172910590	ZVRLLPHKRGCTNY-LBPRGKRZSA-N	318.367	3.451	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CCOCC3)cn2)c1	186250942	LVBJJMBYPKXGKI-CQSZACIVSA-N	313.401	3.105	10	20	DGCD	
CC(C)OC(=O)C[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1	185581899	ZVQTZVQPFJQYLK-QGZVFWFLSA-N	318.461	3.306	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)Cc1ccccc1)c1ccc(F)cc1O	186147529	HAHLJPCXWLSRIU-OGHNNQOOSA-N	303.377	3.174	10	20	DGCD	
C[C@H](NCCN(C)Cc1ccc(F)cc1)c1ccc(F)cc1O	185647348	LGOPBMSLGVAHHA-ZDUSSCGKSA-N	320.383	3.453	10	20	DGCD	
Cc1cccc(Cl)c1NC(=O)CN(C)Cc1ccccc1O	133468615	MRUUBOJZVUUDKQ-UHFFFAOYSA-N	318.804	3.425	10	20	DGCD	
Cc1nc2c(s1)[C@H](N(C)C(=O)Cc1ccc(N)cc1)CCC2	237264592	GREHULVECSWGNP-OAHLLOKOSA-N	315.442	3.112	10	20	DGCD	
COc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1OC	273470842	JSAXNCMFLQFKSN-JTQLQIEISA-N	318.329	3.491	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCN(C)CC(F)(F)F)c(O)c1	284167113	QFQAAPXVHNOSSC-LBPRGKRZSA-N	304.356	3.154	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@H]2CCCN(C(C)=O)C2)cc1	280848863	BJCVACQJTATMAF-NVXWUHKLSA-N	317.477	3.052	10	20	DGCD	
C[C@@H](NC[C@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1O	281147035	ORYAGSFWMGDQNP-ZJUUUORDSA-N	300.305	3.386	10	20	DGCD	
CN(C)c1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1	281828562	XPFQHIHHARPQRM-FQEVSTJZSA-N	310.441	3.066	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@H]1CCO[C@@H]1c1cccnc1	294711481	OSOOLVIPKQHMPB-GOEBONIOSA-N	322.767	3.200	10	20	DGCD	
CNC(=O)Nc1cc(NCc2cccc(C)c2O)ccc1F	809699779	WKIBARYSVMMXHX-UHFFFAOYSA-N	303.337	3.203	10	20	DGCD	
Oc1cccc2c1[C@@H](N[C@H]1CCN(c3ccccc3F)C1)CC2	297388445	RPBTXZFQGYAODD-HOCLYGCPSA-N	312.388	3.387	10	20	DGCD	
Cc1ccc2c(c1)CC[C@@H]2NC[C@H](N)c1ccc(N(C)C)cc1	817938556	MZMAICANSUOCOG-PMACEKPBSA-N	309.457	3.338	10	20	DGCD	
CN(C)c1ccc(CN2CCCN2C(=O)OC(C)(C)C)cc1F	811503091	UWCVFGRLQNLBTH-UHFFFAOYSA-N	323.412	3.250	10	20	DGCD	
COc1ccc([C@H](C)NCCc2ccc(N)cc2)c(OC)c1	817955436	AQQVYGXKWXUBPM-ZDUSSCGKSA-N	300.402	3.179	10	20	DGCD	
Cc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccn1C(C)C	816028793	OJXDDYKVDNFGDJ-LBPRGKRZSA-N	316.401	3.150	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)N[C@@H](C)CCCN)c1O	817977873	QWDZLAWUDXIJAQ-WDEREUQCSA-N	315.255	3.241	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H](N)C1)c1ccc(Br)cc1O	817970430	VDZGTFXEUCMYKY-ZMLRMANQSA-N	313.239	3.075	10	20	DGCD	
CC[C@@H](NCCc1cn[nH]c1)c1ccc(C(F)(F)F)cc1O	810247282	JDVLKWKYDILPAN-CYBMUJFWSA-N	313.323	3.418	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2c(c1)CCCC2=O)c1ccccc1O	827952194	JGTQXGGJDSSJIL-GFCCVEGCSA-N	309.365	3.402	10	20	DGCD	
CN(C)c1ccc(/C=C\CNCc2ccc(CC(=O)O)cc2)cc1	901541547	VFZVKBPVCNIIDG-ARJAWSKDSA-N	324.424	3.183	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c(C)noc1C	839913598	MKJOJPLMQDCPJP-GFCCVEGCSA-N	315.417	3.027	10	20	DGCD	
CSC[C@@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839917871	IMBWZRXRRAPOPN-ZIAGYGMSSA-N	308.491	3.107	10	20	DGCD	
O=C1Oc2ccccc2/C1=C\c1ccc(N2CCC(O)CC2)cc1	905071186	QWABJPCVVHASNO-QGOAFFKASA-N	321.376	3.107	10	20	DGCD	
C[C@]1(C(=O)O)CCCN(Cc2ccc(N3CCCCC3)cc2)C1	901698546	HMANSLKVEYLCOG-IBGZPJMESA-N	316.445	3.364	10	20	DGCD	
CC(C)N(CCN1CCCCC1)Cc1ccc(N(C)C)cc1	736943903	DUFYTJQUPYSTDA-UHFFFAOYSA-N	303.494	3.449	10	20	DGCD	
CCOCc1cc(CN[C@@](C)(CC(=O)O)C(C)C)ccc1OC	901816140	FHHMISWHKMUYNL-SFHVURJKSA-N	323.433	3.211	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](F)C3)c2C)cc1	836820547	YEFZVFPQASXZJV-CQSZACIVSA-N	316.376	3.287	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]1OC	838677056	VINLFJFTQZYNPH-NVXWUHKLSA-N	320.433	3.271	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3n[nH]c(C)n3)c2C)c1	749378639	FUKRZANMIXMFKT-UHFFFAOYSA-N	323.400	3.390	10	20	DGCD	
COc1cccc2c1OC[C@H](NCc1cc(C)c(C)cc1O)C2	742369422	GKABYCFEQKXHJV-MRXNPFEDSA-N	313.397	3.111	10	20	DGCD	
CCc1csc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)n1	743224292	FYHYJAYHTHBQEH-VIFPVBQESA-N	321.402	3.302	10	20	DGCD	
COc1ccccc1-c1cc(C(=O)Nc2ccc(N)cc2)no1	746479719	FFCLROCGJMUQNT-UHFFFAOYSA-N	309.325	3.185	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H](F)C1	845261152	ICKFIYDVQWSEMQ-HOCLYGCPSA-N	321.440	3.136	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1csc([N+](=O)[O-])c1	843057474	OJLIUNKWBUSPHT-UHFFFAOYSA-N	303.387	3.068	10	20	DGCD	
C[C@@H](N[C@@H](COC(=N)O)Cc1ccccc1)c1ccccc1O	840862784	IEXGTHVADSGDEB-UKRRQHHQSA-N	314.385	3.163	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1nc(C(=O)O)c(C)s1	844210139	PKKMSAPZTARDMS-UHFFFAOYSA-N	305.403	3.136	10	20	DGCD	
C[C@@H](NCCO[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1O	927080408	IYQVOSYMUXKHDX-ZJUUUORDSA-N	320.216	3.155	10	20	DGCD	
COc1cc(CNC[C@H](OC)C2CC2)c(O)c(C(C)(C)C)c1	850311703	ZBTQYUFTQJRVQP-INIZCTEOSA-N	307.434	3.213	10	20	DGCD	
C[C@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)c1cc2c(cc1O)CCCC2	756646224	JQSQWIQDCZLBMY-CKFHNAJUSA-N	314.473	3.404	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1	863165735	MLSGPVJVYBPAKV-CRAIPNDOSA-N	312.413	3.135	10	20	DGCD	
CO[C@@](C)(C(=O)NCc1cc(C)ccc1O)c1ccccc1F	862757208	LGFMQBJXNCCFTF-GOSISDBHSA-N	317.360	3.018	10	20	DGCD	
O=C1CC2(CCC2)N1CN1CCCc2cc(OC(F)F)ccc21	766351426	MCXYHLQTJFAUBW-UHFFFAOYSA-N	322.355	3.153	10	20	DGCD	
Cc1ccc(CN(C(=O)/C=C/c2ccc(O)c(O)c2)C2CC2)o1	779502946	XYSJERADEHYNEF-RUDMXATFSA-N	313.353	3.204	10	20	DGCD	
COc1cccc(CN[C@H](C)[C@H](OC)c2ccccc2)c1O	877525620	JOJIZRLNOWHFNA-ACJLOTCBSA-N	301.386	3.267	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1scnc1C	776841185	IYVCUCNOXUDKTQ-FPLPWBNLSA-N	315.442	3.156	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1nccs1	770693648	DSURGEXSEQWJQG-UHFFFAOYSA-N	303.431	3.260	10	20	DGCD	
C[C@H](NC(=O)c1ccc(O)c(F)c1)c1ccc(N(C)C)cc1	775412209	UXKUQIYTJOYAGH-NSHDSACASA-N	302.349	3.088	10	20	DGCD	
C[C@H](N[C@@H](C)c1nc(C2CC2)no1)c1ccc(N(C)C)cc1	774484995	UHXWWHRAEBGKSI-RYUDHWBXSA-N	300.406	3.425	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)c1cccc(F)c1)c1c(O)cccc1F	886550154	TUBJWYYJKLYKPK-DINDLPBHSA-N	307.340	3.443	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccccc1O)C(=O)N1c2ccccc2C[C@H]1C	775128392	ASEAHWLHCRWWMA-ILXRZTDVSA-N	324.424	3.409	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2c(O)cccc2F)C1	886536707	NNEQOQHOPMIXCE-WPGAZNDASA-N	313.438	3.262	10	20	DGCD	
CC(C)OCC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)C(C)C	788069342	ZZVHTJZAZIBCME-LJQANCHMSA-N	322.493	3.139	10	20	DGCD	
COc1ccc(N(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1F	785465072	APWVTRKLGFDPFQ-LLVKDONJSA-N	312.385	3.184	10	20	DGCD	
C[C@H](N[C@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1O	788593223	GXPKGCVVBJZZEY-QWRGUYRKSA-N	314.351	3.298	10	20	DGCD	
C[C@H](CO)CCCN[C@@H](C)c1cccc(C(F)(F)F)c1O	788685105	GQCUBBBQKHNXEU-QWRGUYRKSA-N	305.340	3.470	10	20	DGCD	
C[C@H]1CC[C@H](NCc2ccccc2O)CN1C(=O)OC(C)(C)C	399181851	LWKFJBOEJGBVLO-ZFWWWQNUSA-N	320.433	3.270	10	20	DGCD	
CC[C@H](C(=O)O)N(C)Cc1ccc(N2CCCCC2)c(C)c1	1603500799	OSWBTYHPSJFDPP-MRXNPFEDSA-N	304.434	3.280	10	20	DGCD	
Cc1ccoc1CN(Cc1ccccc1O)C[C@H]1CCCO1	160195956	RFCAHVGIXOOETA-MRXNPFEDSA-N	301.386	3.475	10	20	DGCD	
CC(C)c1cccc(OCC(=O)NCCc2ccc(N)cc2)c1	152581197	FYRFMNITQPFBLU-UHFFFAOYSA-N	312.413	3.130	10	20	DGCD	
CN(C)c1ccc(CNCCC(=O)Nc2ccccc2F)cc1	818941269	GTUQNSMAKJEEQB-UHFFFAOYSA-N	315.392	3.010	10	20	DGCD	
Oc1ccc(Cl)cc1CNCCOC1CCSCC1	898441687	BYEZWQHWCIXAIW-UHFFFAOYSA-N	301.839	3.047	10	20	DGCD	
CC[C@@](C)(CNCc1cccc(Br)c1O)OC	322922269	LIXDITUFVJJJBF-ZDUSSCGKSA-N	302.212	3.059	10	20	DGCD	
CC(C)OCCCCNCc1c(O)cccc1Br	706829818	ANFRQEJATSOJDH-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
CCCC(=O)NC[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1	179931869	JQCAVNFELYHIHZ-ZDUSSCGKSA-N	324.852	3.174	10	20	DGCD	
Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)no1	173666803	FFUDRHSJFUMCOZ-UHFFFAOYSA-N	312.325	3.124	10	20	DGCD	
Cc1ccc(O)c(CNCCCC(=O)N2Cc3ccccc3C2)c1	113341643	AGIFRQLLHSDDGR-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
CC[C@@H]1CC[C@@H](C)N1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	317704560	OPZIKFCRBAIIQJ-ORLVXDONSA-N	304.346	3.460	10	20	DGCD	
COC(=O)c1cccc(CN[C@@H](C)c2cc(OC)ccc2O)c1	182458550	DBJAZLSZNCCWNY-LBPRGKRZSA-N	315.369	3.038	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)CCN1C	316426120	BETZFULSCWCIOO-FUHWJXTLSA-N	301.478	3.249	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(F)cc1O)c1ccc2[nH]c(=O)[nH]c2c1	320570288	QCPPYHQSWBHYGE-VHSXEESVSA-N	315.348	3.113	10	20	DGCD	
C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	46983833	NWIUSZCRESKOOV-OAHLLOKOSA-N	301.434	3.228	10	20	DGCD	
CN(Cc1ccncc1)C(=O)NCc1ccc(N2CCCC2)cc1	46983741	CMJYUGRVLOMBTG-UHFFFAOYSA-N	324.428	3.023	10	20	DGCD	
Cc1c(/C=C/C(=O)N(C)c2ccc(OC(C)C)cc2)cnn1C	191638471	WCWKVYUQGCHQTN-IZZDOVSWSA-N	313.401	3.192	10	20	DGCD	
COc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1	237289199	QVQPCMFXYKPXAM-SFHVURJKSA-N	310.397	3.184	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1	270869701	JMIDBVGSHZFNFD-GDBMZVCRSA-N	320.433	3.127	10	20	DGCD	
CCOC1CC(O)(CN[C@H](C)c2ccc3ccccc3c2O)C1	278356512	CPJSTLQUMCNCHV-VZDIAYEVSA-N	315.413	3.126	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCCC(C)(C)O)c1O	275289365	GCKVGDFTMHMSQC-JTQLQIEISA-N	316.239	3.275	10	20	DGCD	
CCc1ncc(CN(C)c2cc(OC)c(OC)c(OC)c2)s1	272533427	NMWYYZQUWNJMII-UHFFFAOYSA-N	322.430	3.368	10	20	DGCD	
C[C@@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1O	273364756	DTRIFRGBBUNJSX-OCCSQVGLSA-N	321.367	3.172	10	20	DGCD	
CC[C@H](N[C@H]1CCc2nc(C)ncc2C1)c1ccc(N(C)C)cc1	370670815	HRHMBYIJZCFJKX-HKUYNNGSSA-N	324.472	3.449	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)OC1CCOCC1	289808723	NJLZFZUHXOHDNO-UHFFFAOYSA-N	320.433	3.279	10	20	DGCD	
COC(=O)Nc1cccc(CNCc2ccc(OC)c(C)c2)c1	285437975	IDAWNISWEJMUSC-UHFFFAOYSA-N	314.385	3.472	10	20	DGCD	
CC[C@@H](NCCc1cn2ccccc2n1)c1ccc(F)cc1O	285883005	ZPMCFKMUDAPHFF-MRXNPFEDSA-N	313.376	3.462	10	20	DGCD	
CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cnc(C)s2)C1	283295294	MXSSERYZFXRROQ-HSBSLETESA-N	314.410	3.069	10	20	DGCD	
C[C@]1(CNCc2ccc3c(c2)CCO3)OCCc2sccc21	289781549	KLTWPWZAXARQKM-GOSISDBHSA-N	315.438	3.261	10	20	DGCD	
Cc1cc(O)c(CN2CCC(=O)N(C)c3ccccc32)cc1C	809785907	HJKUISKSKWOUOI-UHFFFAOYSA-N	310.397	3.382	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@H](N[C@@H]2CCc3cccc(O)c32)C1	297867030	ULOIXQVABVBJRO-ZLOLFTAESA-N	307.459	3.049	10	20	DGCD	
CC(=O)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1	808016291	ZFDHGIRGOWRBQN-UHFFFAOYSA-N	316.740	3.108	10	20	DGCD	
Cc1ccc(CN(CCN(C)C)Cc2ccc(N(C)C)cc2)o1	809735333	BEQRDYHFXAJDMX-UHFFFAOYSA-N	315.461	3.218	10	20	DGCD	
CC(C)[C@H](O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	813425539	ODAKEUHXQFTCGA-SFHVURJKSA-N	318.461	3.089	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc(F)ccc2Cl)c1	815835229	NQQZFICYFSJSHR-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
Nc1nc(NCc2c(O)ccc3c2CCCC3)nc2ccccc12	811809147	ZAZATQOIAIYGRU-UHFFFAOYSA-N	320.396	3.409	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cc(OCC)ccc1O	827751996	ZGZVYPZLKOQJLL-AEFFLSMTSA-N	321.417	3.002	10	20	DGCD	
Cc1ccn2ncc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2c1	828860535	DTSSWSZLVUHEJD-AWEZNQCLSA-N	322.412	3.200	10	20	DGCD	
COc1ccc([C@@H](O)CNCc2cc(Cl)c(C)cc2O)cc1	825090457	VXPRHCBOTOPHMC-KRWDZBQOSA-N	321.804	3.186	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H](CCC(=O)O)C1	901553437	UTUQUVAORMYRLO-OAHLLOKOSA-N	304.434	3.138	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1F	588403768	OQHGNBZXPCRYLO-NXSJDDFASA-N	319.307	3.267	10	20	DGCD	
CC(C)c1cnc(CN(C)c2ccc(OCC(=O)O)cc2)s1	902015643	HDHCTRDFGULQLX-UHFFFAOYSA-N	320.414	3.366	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1C[C@H]2CCCN2c2ccccc21	490577086	PLBABMACTPKIBC-ZBTGYSDGSA-N	305.381	3.110	10	20	DGCD	
O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cc(O)cs1	839787878	UMWWECWXPZPFSE-MWLCHTKSSA-N	309.412	3.165	10	20	DGCD	
Cc1cc(CN2C[C@@H](C)[C@H](C(=O)O)C2)c(O)c(C(C)(C)C)c1	832882528	KABYNORWQPVXBG-TZMCWYRMSA-N	305.418	3.151	10	20	DGCD	
O=C(OC1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	830599632	UKNKMQZBJBQLIO-MRXNPFEDSA-N	319.401	3.452	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N(C)[C@H](C)CC(C)C)cc1	739922949	ABQRHOHJLBZBGO-OAHLLOKOSA-N	306.450	3.415	10	20	DGCD	
CSCCCCCCNC(=O)NCCc1ccc(N)cc1	841874954	LTIZXSBLXHBLDR-UHFFFAOYSA-N	309.479	3.034	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)cc1	743642508	SOIUZORFOIMANP-QUCCMNQESA-N	323.440	3.282	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H]2CCN(CC(F)F)C2)c2c(O)ccc(F)c21	841765370	RCBXEVXYDDIVRJ-JFGNBEQYSA-N	314.351	3.009	10	20	DGCD	
CCOc1ccc(N(CC)C[C@@H](O)COc2ccccc2)cc1	746159081	NIXNFVUMBABTDU-QGZVFWFLSA-N	315.413	3.352	10	20	DGCD	
C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccncc1	845024493	CDRDLYYLZBWWJZ-LLVKDONJSA-N	319.792	3.044	10	20	DGCD	
COCC[C@H](Cc1ccco1)NCc1ccc(N(C)C)cc1C	840938096	XKVPYKGALCNBBM-QGZVFWFLSA-N	316.445	3.391	10	20	DGCD	
CNCCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1	843488158	RXYOSYUMPBOENO-HNNXBMFYSA-N	312.413	3.092	10	20	DGCD	
CCc1cccc(CNCc2cccc3c2OCCCO3)c1O	848900169	YDKDEZIJSNERCX-UHFFFAOYSA-N	313.397	3.406	10	20	DGCD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NCc1ccccc1O)C2	748459238	DKFHLNLGXOMYAC-JOQOYGCGSA-N	302.418	3.406	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1CC12CCSCC2	846475643	DLNAZAZYWPWUQC-GFCCVEGCSA-N	311.834	3.195	10	20	DGCD	
CC(C)(NC(=O)NCCc1ccc(N)cc1)c1ccccc1F	841955740	LMJNNKPDEJCVTI-UHFFFAOYSA-N	315.392	3.185	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OC[C@H]3CCCCO3)sc2n1	928974146	BQOYHQISRAKETF-LLVKDONJSA-N	320.414	3.221	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCO[C@H]2CCCC[C@H]2C)c1	858153239	JRUNLSSIPHLQGL-PBHICJAKSA-N	320.433	3.095	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](c2cnn(C)c2)C(C)C)c1O	927069702	ZVUHUHAYGOCKIO-WBMJQRKESA-N	303.406	3.182	10	20	DGCD	
CCc1ccc(CCOC(=O)/C=C/c2ccc(O)c(O)c2)cc1	759592332	FXKFVVGLJNQJJJ-CSKARUKUSA-N	312.365	3.459	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(C(N)=O)c(Cl)c2)cc1F	863996158	RMAAYAWSTJAAQI-UHFFFAOYSA-N	321.783	3.256	10	20	DGCD	
Cc1cccc(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)c1O	862541532	RWSSTBYSFUMUCC-ZDUSSCGKSA-N	308.422	3.046	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1cc(C)ccc1O	862757295	OGDJOVJCEUAWAT-RHSMWYFYSA-N	305.418	3.302	10	20	DGCD	
C[C@@H](NCCCC(F)F)c1ccc(N2CCOCC2)c(F)c1	1119606710	RENUXTWQJLFFFI-GFCCVEGCSA-N	316.367	3.358	10	20	DGCD	
CCCOc1ccc(CNCc2nc(C(C)C)n[nH]2)cc1C	873129498	PAFNDWKHEVWPFW-UHFFFAOYSA-N	302.422	3.315	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1cccc(F)c1F	772774781	KTHMSGLEWBUHKJ-FNORWQNLSA-N	306.264	3.133	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2O)[C@@H](C)CN1Cc1ccccc1	779020829	TZOSVQYUXDSHTM-IRXDYDNUSA-N	310.441	3.487	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)nc1)c1c(O)cccc1F	886501488	MQILCOGGTRNTPO-ZDUSSCGKSA-N	315.392	3.377	10	20	DGCD	
Cc1cnc(Cl)c(NC(=O)N(C)Cc2ccccc2O)c1	787460967	XJTUYBQXHPASAO-UHFFFAOYSA-N	305.765	3.413	10	20	DGCD	
CCN(C(=O)/C=C/c1cnn(C)c1)c1ccc(Cl)cc1F	799409440	BUFNHSQNIPGNOP-QPJJXVBHSA-N	307.756	3.279	10	20	DGCD	
CCN(CC1CCC1)C(=O)NCCCSc1nccs1	793105150	WBHLYBIZDDWQNF-UHFFFAOYSA-N	313.492	3.457	10	20	DGCD	
CCCn1cc(NCc2ccc(Br)cc2O)cn1	722377374	SJLPLJXTAHGRKG-UHFFFAOYSA-N	310.195	3.373	10	20	DGCD	
Oc1cccc(Br)c1CN[C@@H]1CCCSC1	706871979	ARUHUUWAQAEOAK-SECBINFHSA-N	302.237	3.140	10	20	DGCD	
C[C@H]1CCC[C@@H]1CNCc1ccc(N2CCN(C)CC2)c(F)c1	1321185252	PZWRHAFKVUSIHC-DOTOQJQBSA-N	319.468	3.103	10	20	DGCD	
COC(=O)CN(Cc1ccc2ccccc2c1O)CC(C)C	1326327785	ZZIWOUPNFIQSJY-UHFFFAOYSA-N	301.386	3.176	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCCn1cccn1	101591001	QQNQAJIUPYRQLU-UHFFFAOYSA-N	300.189	3.075	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc(Cl)c(C(=O)O)n2)c1	1600465015	NIBCWRAZCZRAMP-SNVBAGLBSA-N	320.776	3.298	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1	227684607	UWIZBLKDBCXMJW-STQMWFEESA-N	308.422	3.264	10	20	DGCD	
COc1cc(Cl)cc(CNCCCOCC(C)C)c1O	228670036	JEDMHAHEPDGYOC-UHFFFAOYSA-N	301.814	3.207	10	20	DGCD	
COC(=O)c1ccc(CN2CCCc3cc(CN)ccc32)cc1C	1578864184	QODQICQFNPLYFF-UHFFFAOYSA-N	324.424	3.193	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc(C(=O)O)ccc2O)cc1F	1599571301	OIWRUCQKBYMGKW-SNVBAGLBSA-N	319.332	3.089	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(C(=O)O)CCC[C@H]2C)c(C)c1	1776856717	DYIFZWRTAYAIOX-RDTXWAMCSA-N	304.434	3.184	10	20	DGCD	
CCN1CCc2cc(CN[C@@H]3CCCC[C@]3(C)C(=O)O)ccc21	1776877436	HZUFDKICFZFHAI-MJGOQNOKSA-N	316.445	3.192	10	20	DGCD	
CCCCNC(=O)C1(NCc2ccccc2O)CCCCC1	154629094	HVHXEZIIPMQHNB-UHFFFAOYSA-N	304.434	3.101	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2ccc(F)c(F)c2)cc1OC	159734452	JKGJGWULJJSYPC-UHFFFAOYSA-N	323.339	3.320	10	20	DGCD	
COc1ccccc1CNCc1cccc(Br)c1O	48794592	FPEGMHVHIDLXIK-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
CN(C)[C@H](CNCc1c(O)cccc1Cl)c1cccs1	83551397	DMZFWSMUIWEEGH-CYBMUJFWSA-N	310.850	3.500	10	20	DGCD	
CCn1cc(N2C(=O)/C(=C/c3ccsc3)SC2=S)cn1	101960284	RHGAKVREIPRADS-WZUFQYTHSA-N	321.452	3.370	10	20	DGCD	
COCCN(Cc1cc(C(C)(C)C)cc(O)c1O)CC(F)F	101539781	OIVGFYQFILICGB-UHFFFAOYSA-N	317.376	3.109	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(F)ccc2O)c(OC)c1	179884209	DDORBQTVGZJURF-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
COc1cccc(CNC(=O)Cc2c[nH]c3cccc(C)c23)c1O	105650305	KTSWKWLBWYCNGO-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
CC(C)[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	172229936	TXUGYWVUWSOMKU-GDBMZVCRSA-N	305.418	3.192	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2cccc(C(N)=O)c2)cc1	122219112	QDQLPGOBHSUOJT-CQSZACIVSA-N	311.429	3.092	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O	185442426	YOQRUPFEDFUTGJ-YPMHNXCESA-N	324.396	3.191	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2[nH]ncc2C1)c1cc2c(cc1O)CCCC2	186115400	XLIHAZALWYOMBT-MLGOLLRUSA-N	311.429	3.202	10	20	DGCD	
COc1cccc(CNCc2ccc(OC(F)F)cc2)c1O	74336188	YSAPUYLXMZIASJ-UHFFFAOYSA-N	309.312	3.292	10	20	DGCD	
Cc1ccc(OCC(=O)NCCCSc2nccs2)cc1	74135865	YTWOFOZZBOAWKE-UHFFFAOYSA-N	322.455	3.129	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N)cc1Cl	314871403	GFUJFTWFSKYCFU-UHFFFAOYSA-N	317.820	3.260	10	20	DGCD	
C[C@H](NCC1(N2CCCCC2)CCOCC1)c1ccccc1O	183600770	WYAGCESEUGNMKP-INIZCTEOSA-N	318.461	3.078	10	20	DGCD	
Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1	72953291	LTBPNKYAIJJSGY-UHFFFAOYSA-N	310.441	3.464	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)[C@H]3CCSC3)c2c1	124967812	HVLWKJYMAZIIDM-ZDUSSCGKSA-N	303.427	3.491	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2c(C)noc2C)cc1	79391116	HACZXUQGKIHYNI-UHFFFAOYSA-N	301.390	3.068	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1	185442628	YSYQAWHYVZFTNH-UONOGXRCSA-N	320.433	3.361	10	20	DGCD	
CCc1ccc([C@@H]2COCCN2Cc2cc(F)ccc2O)o1	180166250	AZIGTJSNOCLSOG-HNNXBMFYSA-N	305.349	3.260	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCN(c3ncccc3F)C2)c(O)c1	185687533	RTJDHJQVOGNBNN-UONOGXRCSA-N	315.392	3.164	10	20	DGCD	
Cc1cccc(CNC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1O	225931705	PGVFWKAJBGPWAA-OAHLLOKOSA-N	320.433	3.094	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1	321655669	KCXJRNSDOBEBBS-LLVKDONJSA-N	318.348	3.289	10	20	DGCD	
Cc1ccc(OCCCCNC(=O)Cc2ccc(N)cc2)cc1	237714160	AURCXQSSUOLIIV-UHFFFAOYSA-N	312.413	3.095	10	20	DGCD	
CCOc1ccccc1OCCCC(=O)Nc1ccc(N)cc1	236969595	OVOUVVDMDIZSGZ-UHFFFAOYSA-N	314.385	3.465	10	20	DGCD	
CCOC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N(C)CC)cc2)C1	248636031	KTVUUBHJJVDKQJ-HOCLYGCPSA-N	319.449	3.024	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(Cc2ccco2)C(C)C)c1O	278307180	WJOQPLWCQKREIJ-UHFFFAOYSA-N	320.345	3.313	10	20	DGCD	
CC[C@@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)c1ccncc1	273587982	OJKGYCIYYHIGNX-MLGOLLRUSA-N	314.385	3.376	10	20	DGCD	
CC[C@@](C)(CNCc1cc(Cl)cc(Cl)c1O)C(=O)O	277979224	MHBIXBGDKYFVLC-ZDUSSCGKSA-N	306.189	3.290	10	20	DGCD	
Cc1nc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)sc1C	273609596	VIBVOGCRIBGFKA-JTQLQIEISA-N	321.402	3.267	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCOc2ncccc2F)c(O)c1	285363920	VSZQXSKDVMQRNZ-CYBMUJFWSA-N	304.365	3.273	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cn(C(C)C)nn2)cc1F	289804504	RQDYNLJJKNTTCR-UHFFFAOYSA-N	319.428	3.134	10	20	DGCD	
CN(C)C[C@H](NCc1ccccc1O)c1ccc(Cl)cc1	282953201	XXKYCRRVSWLQLA-INIZCTEOSA-N	304.821	3.438	10	20	DGCD	
CCSCCCNC(=O)NCc1ccc(N2CCCC2)cc1	282663446	VHOBCEMSYPNKSQ-UHFFFAOYSA-N	321.490	3.229	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(C2CC2)no1	281689129	FWBHCCDXOBVSJL-UHFFFAOYSA-N	311.385	3.082	10	20	DGCD	
CC[C@H](NCc1ccc(N(C)C)nc1)c1ccc(F)cc1O	285621295	KUEZEOCINIEOPP-HNNXBMFYSA-N	303.381	3.233	10	20	DGCD	
CC1(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1	286476679	VYFYCXJBODWAFX-UHFFFAOYSA-N	322.792	3.000	10	20	DGCD	
CCOC(=O)c1cc(NCc2cc(Cl)ccc2O)cn1C	809755195	HWDUCUFSXYWXEV-UHFFFAOYSA-N	308.765	3.173	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2c3ccccc3O[C@@H]2C)cc1OC	290185644	ODYIWZRXDVANIR-ZMZPIMSZSA-N	315.369	3.021	10	20	DGCD	
COc1ccc(O)c(CN[C@H](c2ccccc2)C(C)(C)CO)c1	809655725	OYSUMFCBBGTQMY-GOSISDBHSA-N	315.413	3.250	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](CC)O1	801545647	DBIVCIDIUAFUPQ-NVXWUHKLSA-N	305.418	3.479	10	20	DGCD	
CN(C)[C@@H](CNCc1ccc(N2CCCC2)cc1)c1ccco1	390224101	IQTISWDGVUYYJX-SFHVURJKSA-N	313.445	3.272	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cnn(C)c1Cl	816480213	GWMVTEXFDHKIID-UHFFFAOYSA-N	306.841	3.162	10	20	DGCD	
CCC[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cccnc1	817942909	RMZKZJRKYOUDFF-MOPGFXCFSA-N	312.461	3.278	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(Br)cn2)c1	811806448	XDTIVMFKODPKNF-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
C[C@H](NCCC[C@H]1CCCN1)c1cc2c(cc1O)CCCC2	817979535	BQRGSTYEFBBFFS-YOEHRIQHSA-N	302.462	3.454	10	20	DGCD	
Cc1nc(-c2ccco2)ccc1C(=O)NCc1ccccc1O	726193424	LJFQQVQFXSGZMF-UHFFFAOYSA-N	308.337	3.286	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C[C@H]1COc2ccccc2O1	726981090	MTCAICNSGHCYDU-KRWDZBQOSA-N	312.413	3.024	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(C)nc2C(C)C)c1O	827303532	KAUWXCSODIZIKH-UHFFFAOYSA-N	314.385	3.158	10	20	DGCD	
C[C@@H]1C[C@@H](O)CN1Cc1ccc(N(C)Cc2cccs2)cc1	824272022	PPWGOUOQCLGXJN-RHSMWYFYSA-N	316.470	3.340	10	20	DGCD	
C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccoc1	903447806	CUSWTTZTYJQYQK-KBXCAEBGSA-N	301.434	3.299	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc3nonc3c2)c2c(O)ccc(F)c21	903323244	DICBIDUZHWYMGZ-YMTOWFKASA-N	313.332	3.406	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@H]3C)cc2)CC1	731121309	QOZWJEQVSNTMIH-OAHLLOKOSA-N	301.434	3.227	10	20	DGCD	
CN(CCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O	835078685	WNCGLNDQPNLSQA-UHFFFAOYSA-N	314.813	3.002	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnn3ccccc23)cc1	731450657	GHBDWXQTWAQPOS-UHFFFAOYSA-N	308.429	3.470	10	20	DGCD	
CCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C	837338426	WPAZEEHDNJNYQJ-UHFFFAOYSA-N	318.348	3.154	10	20	DGCD	
CCOc1ccc(CN[C@@H](C(C)C)C2(CO)CCCC2)c(O)c1	835066153	OYJGIMISDOEXGO-SFHVURJKSA-N	321.461	3.458	10	20	DGCD	
Nc1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1	841299989	LBUPBOCQWSBIPB-UHFFFAOYSA-N	302.403	3.316	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CC[C@H](C2CCC2)C1	840978681	RCBFVAJDPWTNCE-SFHVURJKSA-N	300.446	3.145	10	20	DGCD	
CCCC[C@H]1CCC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841786057	NIPXRYCCODVFGV-RDJZCZTQSA-N	303.450	3.469	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c(O)c1	840392913	QQMOMQGBCGOCQQ-XJKSGUPXSA-N	318.417	3.026	10	20	DGCD	
CCn1nc(C)c(CN[C@@H](C)c2cccc(OC)c2O)c1C	846142862	BLPPRFDXWUFRPT-NSHDSACASA-N	303.406	3.085	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC=C(c3ccccc3)C2)cc1	841957441	BJMBADKOUBRYOJ-UHFFFAOYSA-N	321.424	3.310	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1c[nH]nc1C	840893336	ITNQUYXYZCIIDQ-KGLIPLIRSA-N	300.450	3.374	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2ccc3c(c2)CCO3)c1O	846148150	XGQQNERJIKAWQM-CYBMUJFWSA-N	313.397	3.229	10	20	DGCD	
COc1cc(O)c(CNc2ccc([C@@H](C)N)cc2)cc1OC	841028031	JSFCVZAJFDPXOM-LLVKDONJSA-N	302.374	3.041	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c1O	846145457	FCUSBHYMGSAZRC-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
C[C@H](NCCCN1CCCCC1=O)c1cc(Cl)ccc1O	756553721	HVAGSYFWQVHMGL-LBPRGKRZSA-N	310.825	3.099	10	20	DGCD	
CC[C@@H](NCc1cc(Br)cc(OC)c1O)C1CC1	850382344	SGIHSRZVCUKVDD-GFCCVEGCSA-N	314.223	3.442	10	20	DGCD	
CN(C)c1ccc(CNCCc2nc3c(s2)CCC3)cc1F	922714772	KWDRJJCGJAAVQM-UHFFFAOYSA-N	319.449	3.169	10	20	DGCD	
CCOc1ccc(CN(C)c2ccc(OC)c(OC)c2)nc1	755908808	GLWZOPRRBSEXBV-UHFFFAOYSA-N	302.374	3.134	10	20	DGCD	
C[C@@H](N[C@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1O	850538093	VQNYVEBQBHKXGI-NOZJJQNGSA-N	323.314	3.464	10	20	DGCD	
COc1cc(CNCCc2ccncc2)c(O)c(C(C)(C)C)c1	850189506	CDNLRHQXVOLAFP-UHFFFAOYSA-N	314.429	3.426	10	20	DGCD	
COc1cc(CNCc2cccnc2O)c(O)c(C(C)(C)C)c1	858304838	JPJWUKIARDRIMV-UHFFFAOYSA-N	316.401	3.089	10	20	DGCD	
COCC[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccco1	858157365	FGASIMJHARXTAF-OAHLLOKOSA-N	324.371	3.491	10	20	DGCD	
COc1cccc(C(C)(C)C(=O)N(C)Cc2ccccc2O)c1	866596139	BKQPOWPVFIOQFX-UHFFFAOYSA-N	313.397	3.337	10	20	DGCD	
COc1ccc(O)c(CNCC(C)(C)c2ccc(C)cn2)c1	862481154	UBRFOBLDXOVHAJ-UHFFFAOYSA-N	300.402	3.172	10	20	DGCD	
Cc1ccc(CNCc2cc(C)nc(N3CCCC3)c2)c(O)c1	877540195	ZIJSOJJLBHVYCG-UHFFFAOYSA-N	311.429	3.294	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2c(Cl)cccc21	778918171	FQYCVMGBRQZVBP-ZDUSSCGKSA-N	317.772	3.097	10	20	DGCD	
CC[C@H](NC[C@H](CO)Cc1ccc(F)cc1)c1ccccc1O	775488060	GJYJDLJYWWVAMK-QAPCUYQASA-N	317.404	3.423	10	20	DGCD	
Cc1cc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)sn1	882799919	ULZOLHUOOQYCOP-UHFFFAOYSA-N	312.416	3.081	10	20	DGCD	
Cc1ccc(O)c(CNCc2cn(C)nc2-c2ccccc2)c1	782383571	QBJOFUWVUMBDQE-UHFFFAOYSA-N	307.397	3.391	10	20	DGCD	
CCc1cccc(NC(=O)NCc2ccc(OC)cc2O)c1	797607628	JWYMTSYHOATLFS-UHFFFAOYSA-N	300.358	3.285	10	20	DGCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccccc1C	792702950	KLCZXQXLOOXWCA-UHFFFAOYSA-N	309.412	3.223	10	20	DGCD	
C[C@H]1CCSCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	790503803	XRQPSWXAZSEPPJ-UONOGXRCSA-N	321.490	3.351	10	20	DGCD	
COc1ccc(CNc2cc(C)c(Br)cn2)c(O)c1	795286094	ZVSHHTDZGBJNAQ-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
CCc1ccc([C@@H](O)CNCc2ccc(N(C)C)c(F)c2)cc1	796447912	BDEVFLSSNJFOFD-IBGZPJMESA-N	316.420	3.277	10	20	DGCD	
CCOc1ccc(N2CCN(CC3CC(F)(F)C3)CC2)cc1	1326502717	PGWIASLGHAYVNB-UHFFFAOYSA-N	310.388	3.253	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)o1	1254721239	NSSATHVQQVKPNZ-OSAQELSMSA-N	301.386	3.474	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CNCC2	1345763588	PDNFOVKZAKBNBN-UHFFFAOYSA-N	324.424	3.090	10	20	DGCD	
C[C@@]1(C(=O)O)CCCC[C@@H]1NCc1ccc2c(c1)CCCO2	1776503352	FPPDFAJDTVEFSJ-FUHWJXTLSA-N	303.402	3.135	10	20	DGCD	
C[C@H]1CCC[C@@]1(NCc1ccc(N2CCCCC2)cc1)C(=O)O	1776639736	XJLBKZMKNPVIRN-KXBFYZLASA-N	316.445	3.410	10	20	DGCD	
CCC[C@H](CCCCNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776755940	FLHQNBKPFKKKSI-GFCCVEGCSA-N	324.377	3.061	10	20	DGCD	
COCCCOC1CCN(Cc2cc(C)cc(C)c2O)CC1	164403974	IOXIELBUXUJNJA-UHFFFAOYSA-N	307.434	3.027	10	20	DGCD	
Cc1cc(C)n(CCCN[C@H](C)c2ccc(N(C)C)cc2)n1	156352465	PFAPIIFFYFWOJI-MRXNPFEDSA-N	300.450	3.307	10	20	DGCD	
Oc1c(Br)cccc1CNCc1cnc(C2CC2)o1	825172367	QQUDBFPVTOOJLY-UHFFFAOYSA-N	323.190	3.310	10	20	DGCD	
CC[C@H](N[C@H]1CO[C@@H](C)C1)c1cc(Br)ccc1O	401993777	MTYFVTCZOFDIDC-NDMJEZRESA-N	314.223	3.373	10	20	DGCD	
Cc1ccc(/C=C2\SC(=S)NC2=O)c(Br)c1	178863203	VXIPVZGQISAEOG-UITAMQMPSA-N	314.229	3.246	10	20	DGCD	
CCOC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1	179194837	KYVMXMMOINUEBQ-HNNXBMFYSA-N	304.434	3.060	10	20	DGCD	
Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2CC=CC2)cc1	301341483	IGJDWZUUDLWUIJ-UHFFFAOYSA-N	310.357	3.287	10	20	DGCD	
COc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1F	186744815	DTFIWWHWYBUPAA-UHFFFAOYSA-N	316.376	3.283	10	20	DGCD	
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccc(C)c(O)c1O	182824975	LBYYUVCEAFQYKR-KBPBESRZSA-N	321.417	3.072	10	20	DGCD	
COCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	78415343	UXPHNLCJZXWTTJ-CQSZACIVSA-N	304.415	3.425	10	20	DGCD	
Cc1nn(C)c2ncc(NCc3cc(Cl)ccc3O)cc12	37084839	AMIGTJYXBAESRZ-UHFFFAOYSA-N	302.765	3.248	10	20	DGCD	
C[C@@H](N[C@H]1COc2ccccc2C1)c1ccc(F)c(F)c1O	187676361	NOYCHGZSLQLJHW-ZYHUDNBSSA-N	305.324	3.325	10	20	DGCD	
COC(=O)N1CCC([C@H](C)N[C@@H](C)c2cc(F)ccc2O)CC1	186762985	BEWXPRZKBXPIBL-RYUDHWBXSA-N	324.396	3.049	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC[C@@H](C)N2CCCCC2)c1	186545729	ZACDAZUGMJXWDO-CABCVRRESA-N	306.450	3.316	10	20	DGCD	
C[C@@H](Cc1cccc(F)c1)C(=O)N(C)Cc1ccccc1O	70822482	HBKGDVZTVSGYCZ-ZDUSSCGKSA-N	301.361	3.369	10	20	DGCD	
Cc1ccc2c(c1)nc(CNCc1ccc(N(C)C)cc1)n2C	187590075	RRIQEVURVLVRPS-UHFFFAOYSA-N	308.429	3.238	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCC(=O)OC(C)(C)C)c1	182413574	FSKOYQCTCAJJDP-LBPRGKRZSA-N	309.406	3.173	10	20	DGCD	
Cc1cccc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1O	183381134	RQPHAEZRQQGDLV-HNNXBMFYSA-N	322.412	3.474	10	20	DGCD	
CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nccs2)c1	48875370	UFCOSJXQPHIBDM-SNVBAGLBSA-N	306.412	3.465	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1CCC[C@H](C(F)(F)F)C1	133753007	OSACLNMHICHLIS-PWSUYJOCSA-N	301.308	3.377	10	20	DGCD	
Cc1cccc([C@H](O)CNCc2ccc(N(C)C)c(F)c2)c1	136489525	FCCCWSUNFXHDML-GOSISDBHSA-N	302.393	3.023	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)N2CCCCCC2)cc1	191588717	GEVINBQXTJMOIV-UHFFFAOYSA-N	304.434	3.313	10	20	DGCD	
Nc1ccc(CC(=O)N2CCN(CC3CC3)c3ccccc32)cc1	238069279	MLTCVHBXJUBYHY-UHFFFAOYSA-N	321.424	3.075	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)Cc2cccc(OC)c2O)C12CCC2	92040981	UEIISLANRJOOAC-HOTGVXAUSA-N	305.418	3.180	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)c1cc(F)ccc1O	248534329	ZRVABIVGMVORPY-LXIYXOSZSA-N	303.377	3.174	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1	268949432	VFIMCZSFNPLOGK-XIRDDKMYSA-N	317.477	3.050	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CC[S@@]1=O	277779336	WOEOSHZJRSNSEW-ZHRRBRCNSA-N	320.502	3.020	10	20	DGCD	
COc1cccc(CCC(=O)N(C)Cc2ccccc2O)c1F	285532404	CQXURBBJMJUKCL-UHFFFAOYSA-N	317.360	3.131	10	20	DGCD	
C[C@H](OCC1CC1)C(=O)NCc1cc(Cl)cc(Cl)c1O	807838913	CISNIAYVLZISKJ-QMMMGPOBSA-N	318.200	3.130	10	20	DGCD	
Fc1cc(CN2CCC3(CCC3)CC2)ccc1N1CCOCC1	809707194	RYXHCCKDCUFFTC-UHFFFAOYSA-N	318.436	3.428	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC=C(c2ccco2)C1	804184309	VFRRSBXDHXRMPM-VURMDHGXSA-N	311.337	3.020	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H]1COC3(CCCCC3)O1)CC2	296979557	RVVGHKSPBQBZEK-CABCVRRESA-N	303.402	3.045	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCC(=O)N2CCCCCC2)c(O)c1	293724893	MQPGYQABEGPSSO-MRXNPFEDSA-N	318.461	3.452	10	20	DGCD	
COC[C@@H](C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	812881975	IPUSUDXFZRNCPS-CVEARBPZSA-N	320.477	3.408	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	819165237	RAVNKIZFHNMDST-ZFWWWQNUSA-N	316.401	3.125	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@@H](CN)C1)c1ccc(N2CCCCC2)cc1	817982476	SSPHEXLSWUWDTO-LZLYRXPVSA-N	301.478	3.455	10	20	DGCD	
COc1ccc(N(Cc2ccco2)C[C@H]2CCC(=O)O2)cc1F	821397032	YIVOTQIBXGELNU-CQSZACIVSA-N	319.332	3.140	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1c(C)nnn1CC	824344183	FISJFVMNCUCUSI-UHFFFAOYSA-N	302.422	3.114	10	20	DGCD	
CC[C@@H](NC[C@@](C)(O)c1cccc(F)c1)c1ccccc1O	903308615	JUHOJOPPLFIOBH-SJLPKXTDSA-N	303.377	3.480	10	20	DGCD	
CCc1ocnc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1	739492821	FWMFEFKRCTVQET-UHFFFAOYSA-N	315.417	3.355	10	20	DGCD	
CC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C(C)C	839146703	RLAQYMDEBBHYSI-MRXNPFEDSA-N	312.404	3.326	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1	831447636	AVFUNFGQJADSRN-VQIMIIECSA-N	324.424	3.095	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(CC(F)F)C2)cc1	841764934	JWLVAZMFYYFSLG-DZGCQCFKSA-N	311.420	3.133	10	20	DGCD	
CCC1=S=C(C(=O)Nc2ccc(N=S(C)(C)=O)cc2)C=C1	848126063	BHCHIUQOUPXZCO-UHFFFAOYSA-N	322.455	3.042	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1F	840958226	OAZWMDABKJDGAZ-LPHOPBHVSA-N	314.404	3.200	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC1CC1	840490265	YSOQZUAQYUXOME-AWEZNQCLSA-N	303.450	3.043	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@H]1C	840480557	WXNSHCZFFFMUNR-HUUCEWRRSA-N	303.450	3.186	10	20	DGCD	
CC[C@@H](N[C@@H](C)Cc1ccc(N(C)C)cc1C)c1ccn(C)n1	840894820	UDPATHBCMWHVEK-MAUKXSAKSA-N	314.477	3.466	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]([C@@H]3CCNC3)C2)cc1	843125729	GKKMLMPQVDXSSV-MOPGFXCFSA-N	315.505	3.354	10	20	DGCD	
C[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccc(N(C)C)cc1	840287961	BTKNCBWUHIKFQW-JTQLQIEISA-N	304.325	3.368	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2COc3c(C)cccc3C2)c1O	846174479	WVFYWXPZEHDURD-DZGCQCFKSA-N	313.397	3.364	10	20	DGCD	
COC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccc(C)o1	846145586	LSIDBYYFJDMXRN-TZMCWYRMSA-N	305.374	3.341	10	20	DGCD	
C[C@H](NC[C@@H](CO)Cc1ccco1)c1ccc(Cl)cc1O	841756865	CTOBWSCSYYYTDE-RYUDHWBXSA-N	309.793	3.140	10	20	DGCD	
COc1ccc(CN2CC[C@@H](Sc3nccs3)C2=O)cc1	853016999	YUXHIMDWBVUBJL-CYBMUJFWSA-N	320.439	3.045	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)Cc2ccco2)c1	756381166	XTRSYBXELXKYOX-NEPJUHHUSA-N	303.358	3.054	10	20	DGCD	
CC[C@H](NCCN(C)OC)c1ccc(Cl)c(Cl)c1O	850479647	YEBUCTCRUAOBFO-NSHDSACASA-N	307.221	3.233	10	20	DGCD	
Cn1nncc1/C=C(/Cl)c1nc2cc(Cl)ccc2n1C	751032544	QOFACUUVCUNQNP-UXBLZVDNSA-N	308.172	3.092	10	20	DGCD	
CCO[C@@H](CC(=O)NCc1ccc(N(C)C)cc1C)C(C)C	760544076	ARTOTYIWIGCYLS-KRWDZBQOSA-N	306.450	3.128	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1c1ccsc1)[C@@H](O)CO2	768439705	MRXKUCYNPBEAKL-HOCLYGCPSA-N	317.410	3.217	10	20	DGCD	
Cc1noc([C@H]2CCCN2Cc2cc(F)c(N(C)C)cc2F)n1	862366149	LZTQZPQFCYQNLX-CQSZACIVSA-N	322.359	3.059	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1O	868555529	KZYLBTMCSGXFAO-XFBWCDHKSA-N	314.360	3.448	10	20	DGCD	
CCN(Cc1ccncc1)Cc1cc(F)c(N(C)C)cc1F	862367189	ZAEBUQGWZMELFF-UHFFFAOYSA-N	305.372	3.448	10	20	DGCD	
Cc1cc(C)c2cc(C(=O)NCCc3ccc(O)c(O)c3)[nH]c2c1	768900320	FKGCINFYWYEQOK-UHFFFAOYSA-N	324.380	3.168	10	20	DGCD	
COc1ccccc1NC(=S)NNc1c(C)cccc1F	769763624	NBNRZWBJDVDSFH-UHFFFAOYSA-N	305.378	3.456	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCCN2C2CCCC2)c1	862756960	BVIBXBLTRGBLGE-QGZVFWFLSA-N	316.445	3.114	10	20	DGCD	
CCCOc1ccc(CNCCCc2nc(C)no2)cc1C	873047324	XUTUQRXAGDFRLP-UHFFFAOYSA-N	303.406	3.198	10	20	DGCD	
CC(=O)c1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	775404568	OBFPPIIHDBXDFW-CYBMUJFWSA-N	310.397	3.446	10	20	DGCD	
Cc1ccc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(O)c1	877458977	DHRXFDMUEILYNS-UKRRQHHQSA-N	317.351	3.274	10	20	DGCD	
CCCN(Cc1cccc2c1OCCO2)c1ccc(CN)cc1	775140180	KBMUXFWDTJHACF-UHFFFAOYSA-N	312.413	3.333	10	20	DGCD	
CC[C@H](NCc1ncn(-c2ccccc2)n1)c1ccccc1O	775414277	HJBOHSCJHKMZNW-INIZCTEOSA-N	308.385	3.214	10	20	DGCD	
CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cc(Cl)ccc1O	775496610	KNDDVHKJZNWWDG-GXFFZTMASA-N	312.841	3.390	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1c[nH]c2ccccc12	787448246	COGABDJEKJEVDA-GFCCVEGCSA-N	324.380	3.389	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1cc(F)cc(F)c1	782294878	BNNNCTFWOGOUBE-RQOWECAXSA-N	306.264	3.133	10	20	DGCD	
COc1cc(C)ccc1CNCc1ccc(OC)c(OC)c1O	893139384	LQJLMEGYKKVPKH-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)cc2)c(O)c1	792817841	BWPILNIXBNXVIG-ZDUSSCGKSA-N	314.385	3.270	10	20	DGCD	
CC[C@@H](NCC1CCN(C(=O)OC)CC1)c1ccc(C)cc1O	797094800	YOUMGCIRPSOVDL-MRXNPFEDSA-N	320.433	3.220	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H](c2ccncc2)C2CC2)cc1	891606836	LXVHYMBAKQLGQO-SFHVURJKSA-N	324.428	3.098	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1Cc2ccc(F)cc21	792878551	UAOFDVVSPDGKIM-SFHVURJKSA-N	312.388	3.190	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C	799881387	LNWAJYMVMQWBOV-HDMKZQKVSA-N	318.461	3.303	10	20	DGCD	
CCCc1nc(C)c(CN2CCOc3cc(N(C)C)ccc32)o1	794451251	XBXREFHBDLCDOS-UHFFFAOYSA-N	315.417	3.401	10	20	DGCD	
O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cccc(O)c1O	790767475	LJSCYFBWTYDNJW-JOYOIKCWSA-N	321.735	3.176	10	20	DGCD	
C[C@@H](N[C@@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1O	799732129	VKAAVDOJNYLGSX-DOMZBBRYSA-N	321.367	3.315	10	20	DGCD	
CCC(C)(C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089860709	KEHFOTHAGGIBTL-UHFFFAOYSA-N	319.424	3.300	10	20	DGCD	
CC(C)CNC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1O	1320130431	KSNSVLRCAMMBBF-VIFPVBQESA-N	319.232	3.122	10	20	DGCD	
CCO[C@H](CC(=O)Nc1c(Cl)ccc2nonc12)C(C)C	1323481579	BVZDGKZPJAPIHR-LLVKDONJSA-N	311.769	3.266	10	20	DGCD	
Cn1ccnc1[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1321026147	XMXZRYPCWMZEBO-SFHVURJKSA-N	324.472	3.400	10	20	DGCD	
COC(=O)Cc1cccc(NCc2cc(Cl)c(C)cc2O)n1	1327825055	WLTHVWIGQXELBI-UHFFFAOYSA-N	320.776	3.077	10	20	DGCD	
COc1cc(O)c(CN2CC[C@@H]3CCCC[C@@H]3C2)cc1OC	1337001248	PRFLRGPQNNTEQM-UONOGXRCSA-N	305.418	3.422	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1F	1252113624	MTDZFRICJFIOMS-GFCCVEGCSA-N	318.367	3.451	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@H]1C[C@@H](C)c2c(C)ccc(O)c21)C(C)C	1344437760	JANMFPYTEUAZDB-GLJUWKHASA-N	318.461	3.341	10	20	DGCD	
C[C@@H](N[C@@H]1CC=C(C(=O)O)C1)c1cc2c(cc1O)CCCC2	1604329403	JYLNOBUGRXTSFO-IAQYHMDHSA-N	301.386	3.095	10	20	DGCD	
C[C@H](C(=O)O)N(C/C=C\c1ccc(N(C)C)cc1)C1CCC1	1589485670	BJZDHHDQLDTBPS-GEXIGZQTSA-N	302.418	3.093	10	20	DGCD	
COCCN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C	155220145	BOLOWVMEPUAJJJ-UHFFFAOYSA-N	300.402	3.121	10	20	DGCD	
CC(C)OCCNCc1cc(Cl)cc(Br)c1O	708100910	XCYDBJJGPKEYQP-UHFFFAOYSA-N	322.630	3.323	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2nc(C)no2)c1	104300153	KSPAWRMEUYDSED-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
COc1ccc([C@@H]2CCN(Cc3cc(OC)ccc3O)C2)cc1	179955218	SRTVJXBDSUZIAD-OAHLLOKOSA-N	313.397	3.399	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCSC[C@H]2C)cc1	172357416	GXZZLNJCNWONPL-CQSZACIVSA-N	321.490	3.180	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@](C)(O)c2ccsc2)c1	185529006	PYILAMGWWRESSV-MEDUHNTESA-N	307.415	3.021	10	20	DGCD	
C[C@@H](NCc1cccc(CN2CCCC2=O)c1)c1ccccc1O	183415437	OFQZGUWRGVNBGI-OAHLLOKOSA-N	324.424	3.365	10	20	DGCD	
C[C@H](N[C@H](C)C[S@@](C)=O)c1ccc(Cl)c(Cl)c1O	186541258	VYZVAWLCCSCRKI-PUERIAAYSA-N	310.246	3.117	10	20	DGCD	
C[C@H](NCCc1nn(C)c2ccccc12)c1ccc(F)cc1O	186487944	QXORYQVRWIDFNL-LBPRGKRZSA-N	313.376	3.311	10	20	DGCD	
CCOc1cccc([C@@H]2NC(=O)c3c(Cl)cccc3N2)c1O	78788511	QZPRLPDUWCQTAE-HNNXBMFYSA-N	318.760	3.298	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2	185404193	IHJHDYDQWAYAPQ-HUUCEWRRSA-N	302.462	3.263	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)C1(c2ccccc2)CCCC1	182546919	MEMAPCLGBZWZGL-UHFFFAOYSA-N	311.381	3.226	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)CCc2ccccc2)c(OC)c1	182560692	NZGIHVABMNZXLE-INIZCTEOSA-N	315.413	3.134	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCCCn2cc(C)cn2)c1	182369032	QMLRHCSSNKTSBL-OAHLLOKOSA-N	317.433	3.427	10	20	DGCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)CCO1	183003569	PBULEZLURCYPBU-ZFWWWQNUSA-N	321.417	3.120	10	20	DGCD	
CCOCc1cc(CN[C@@H](COC)c2ccco2)ccc1OC	80239327	XFSXHEVUELIXKX-INIZCTEOSA-N	319.401	3.302	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1	91958845	UMKXDXHEYUTGEC-WBVHZDCISA-N	301.386	3.382	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2SCCc3sccc32)cc1	237943105	GTNWMODJFLNSSC-OAHLLOKOSA-N	318.467	3.020	10	20	DGCD	
CCOc1cccc(CN2CC[C@@H](OCCC(C)C)C2)c1O	93476139	GMFFFMKJPVEONF-MRXNPFEDSA-N	307.434	3.428	10	20	DGCD	
C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	264340018	WEZXDMDZPWSXMW-YOEHRIQHSA-N	301.434	3.275	10	20	DGCD	
C[C@@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1O	276979721	VQEPXGAVOQTMHA-PBHICJAKSA-N	316.445	3.367	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](CO)CC(C)(C)C)CC2)cc1	362638191	SFPDBPASBGTBSN-INIZCTEOSA-N	320.477	3.051	10	20	DGCD	
Cc1ccc(O)c(CN[C@H]2CCCN(C3CCCCC3)C2=O)c1	276164490	HMWUTNSIXXCFGA-KRWDZBQOSA-N	316.445	3.114	10	20	DGCD	
CN(CCc1cnccn1)Cc1ccc(N2CCCCC2)cc1	273761726	PEFHECKFRWHRBY-UHFFFAOYSA-N	310.445	3.141	10	20	DGCD	
CCC[C@H](NCc1cc(OC)ccc1O)[C@H](O)c1ccccc1	279635318	IPONGNXJFLOLFD-PKOBYXMFSA-N	315.413	3.393	10	20	DGCD	
CC(C)(C[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1)C(N)=O	294866887	UIOHMZILSOETSO-LBPRGKRZSA-N	324.852	3.159	10	20	DGCD	
CCc1cc(CC)nc(NCc2ccc(N(C)C)c(F)c2)n1	804392575	PGUKNWQQFILHGP-UHFFFAOYSA-N	302.397	3.419	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)OCC(=O)C(F)F)c1	800153934	GHAFMEGRAYPEML-UHFFFAOYSA-N	321.323	3.394	10	20	DGCD	
CCSc1cccc(CNC(=O)c2ccc(C)c(O)c2O)c1	816983533	BIBDZYGNDJUUGP-UHFFFAOYSA-N	317.410	3.448	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3nc(C)cs3)C2)cc1	818221478	NGCJOHKZSQEKAC-CQSZACIVSA-N	317.458	3.076	10	20	DGCD	
C[C@@H](NCC1(O)CCCC1)c1cccc(C(F)(F)F)c1O	815579573	QFLJSKWGPXWMLW-SNVBAGLBSA-N	303.324	3.367	10	20	DGCD	
CN(C)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1F	727658248	DQWKIJRMEULQJS-PTNGSMBKSA-N	310.328	3.236	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1C[C@@H]2CCCN2c2ccccc21	490577077	PLBABMACTPKIBC-YDZSZYSISA-N	305.381	3.110	10	20	DGCD	
O=C(O)[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1F	900027532	YTJZVRFHYMRLCO-KRWDZBQOSA-N	315.344	3.066	10	20	DGCD	
CC(C)OCCOC1CCN(Cc2ccc(N(C)C)cc2)CC1	825208336	VNUGYVWXMPCIOQ-UHFFFAOYSA-N	320.477	3.159	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCC[C@@H]2CCC(=O)O)c1	903695002	MBJKVGDJUDNRPG-CQSZACIVSA-N	307.390	3.010	10	20	DGCD	
COc1cc(CN2CCC[C@]2(C)CO)c(O)c(C(C)(C)C)c1	825628977	OMQYZRVJHLMOEI-GOSISDBHSA-N	307.434	3.045	10	20	DGCD	
C[C@@H](CN(Cc1ccc(N2CCCCC2)cc1)C1CC1)C(=O)O	901993238	JGMJKRGDRAMPDW-HNNXBMFYSA-N	316.445	3.362	10	20	DGCD	
CC[C@@H](N[C@H](c1nncn1C)C(C)C)c1ccc(C)cc1O	903063418	FCGWCXGCYAMJEH-ZBFHGGJFSA-N	302.422	3.267	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)CCCCO)cc1	833696728	YQTBSVDLNBWQGO-CQSZACIVSA-N	314.429	3.375	10	20	DGCD	
COc1ccc(O)c(CNC(=S)Nc2ccc(C)c(F)c2)c1	733907454	WFWUTBNDRXUQLM-UHFFFAOYSA-N	320.389	3.335	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc(Br)cc(F)c1O)[C@H](C)O	834886956	GGYHVUGRKGVWSV-LWINAJNOSA-N	320.202	3.104	10	20	DGCD	
CCCCO[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)C1(C)C	748958729	GRRSOMQLEYHWJQ-JKSUJKDBSA-N	320.433	3.175	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](CCO)c2ccccc2)c1O	846146947	SYKQNQUHPWQDLP-HOCLYGCPSA-N	315.413	3.218	10	20	DGCD	
COC[C@H](C)Nc1ccccc1NC(=O)c1cc(O)cs1	847043511	BCEOUCMIQIZJBX-JTQLQIEISA-N	306.387	3.153	10	20	DGCD	
CCN(C[C@H](O)COc1ccccc1F)c1ccc(OC)cc1	747681643	DWZOKOBDOXRAIA-HNNXBMFYSA-N	319.376	3.101	10	20	DGCD	
COc1cc(CNc2ncccc2CO)c(O)c(C(C)(C)C)c1	922290110	PJIIEXJYOCYSIW-UHFFFAOYSA-N	316.401	3.198	10	20	DGCD	
Oc1c(F)cccc1CN(Cc1ccccc1)[C@H]1CCCNC1	843051764	DIZPGDRJPHDTRE-KRWDZBQOSA-N	314.404	3.286	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2cc(OC)no2)cc1	924710565	LYDWFRIBLZDXMA-ZDUSSCGKSA-N	303.406	3.380	10	20	DGCD	
CCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)co1	753654298	OFQKKZYWNZLEQN-UHFFFAOYSA-N	315.417	3.354	10	20	DGCD	
COC[C@@H](C)CN[C@H](C)c1cc(Br)c(F)cc1O	756464867	IATSZCWWORVZES-DTWKUNHWSA-N	320.202	3.227	10	20	DGCD	
Cc1nccn1CCCCN[C@@H](C)c1cc(F)cc(F)c1O	756597478	NKRULGXDCNIDQA-NSHDSACASA-N	309.360	3.306	10	20	DGCD	
Cc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c(O)n1	756242584	ORLDHIRGLVJSLG-UHFFFAOYSA-N	322.368	3.150	10	20	DGCD	
C[C@@H](NCCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O	756603274	AEHBZCCHJRSAFD-SECBINFHSA-N	301.333	3.053	10	20	DGCD	
COCC[C@H](C)N[C@H](C)c1cc(Br)c(F)cc1O	756528745	WOVKGYLXFVFGGF-DTWKUNHWSA-N	320.202	3.369	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(Cl)nc(O)n1	858571901	LTMDKOQZYRCNPG-LLVKDONJSA-N	320.824	3.253	10	20	DGCD	
Cc1ccc(O)c(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1	758529662	QOYIGPLBBMDPAP-HKUYNNGSSA-N	315.388	3.096	10	20	DGCD	
CCc1ncnc(N(Cc2ccc(N(C)C)cc2)C2CC2)c1F	767203703	DUZBNXCVAGOYOW-UHFFFAOYSA-N	314.408	3.413	10	20	DGCD	
CC1(CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	935033657	GBZSROSWPQUUBS-INIZCTEOSA-N	317.429	3.480	10	20	DGCD	
CCOc1cccc(CN2CCN(C)c3ccccc3C2)c1O	769320734	VZYBESUNWNMOLH-UHFFFAOYSA-N	312.413	3.243	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2O)CC[C@H]1C(=O)OC(C)(C)C	862486100	VNOZKPUCBAGRSY-UKRRQHHQSA-N	305.418	3.192	10	20	DGCD	
COc1cc(CNC(=O)N[C@H](C)c2ccccc2O)ccc1C	875141416	PPUBWIGEHUQYHM-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2c[nH]cc2C2CC2)cc1F	878531991	SOOMEDOEDPJXNB-UHFFFAOYSA-N	301.365	3.027	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C	876745779	LSORQTMHMVMLQT-HOTGVXAUSA-N	302.462	3.126	10	20	DGCD	
COC(=O)c1cccc(CN(C)c2ccc(OC)c(Cl)c2)n1	773767122	XAUXAPNODWAWMZ-UHFFFAOYSA-N	320.776	3.167	10	20	DGCD	
Cc1cccc(CNCc2ccccc2Cn2ccnc2)c1O	775931822	YMAWZJDWCCZXOF-UHFFFAOYSA-N	307.397	3.235	10	20	DGCD	
CN1CCN(c2ccc(CN(C3CCCC3)C3CC3)cc2)CC1	775649885	URKZHUIEIRCVAX-UHFFFAOYSA-N	313.489	3.345	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@H](c2ccncc2)C1)c1c(O)cccc1F	886620133	CJMSTNKOUMCJHN-QEORTHHSSA-N	316.376	3.497	10	20	DGCD	
CCn1nccc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	772941486	MRENWBIWNLANSQ-UHFFFAOYSA-N	314.433	3.020	10	20	DGCD	
CC1CCN(c2ccc(CNc3cc(CO)ccn3)cc2)CC1	881960518	LGFGIMYDIYZYTQ-UHFFFAOYSA-N	311.429	3.422	10	20	DGCD	
Cc1nc(C2(NCc3cc(F)cc(F)c3O)CCCCC2)no1	882950963	ICHWDXJEJRWZDO-UHFFFAOYSA-N	323.343	3.311	10	20	DGCD	
C[C@H](N[C@H](C)Cn1cccn1)c1cccc(C(F)(F)F)c1O	788646174	BKDRZJFGDLXNQG-MNOVXSKESA-N	313.323	3.347	10	20	DGCD	
COCc1ccccc1NCc1ccc(OC)c(OC)c1O	892336093	ZGAVJENTXLVYMV-UHFFFAOYSA-N	303.358	3.168	10	20	DGCD	
CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]2CCC[C@@H]21	891169032	UBWJWWZCJDOVHR-MHVKHXTKSA-N	301.386	3.148	10	20	DGCD	
Cc1cccc(CN[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1O	701856009	NXLJYYCQYAFZQS-SFHVURJKSA-N	320.433	3.190	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(F)(F)CC1	792955953	COPGQFNGXLADRZ-UHFFFAOYSA-N	321.371	3.004	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1(C)CC1	792198590	DXTBEEWCKUJCNS-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
Cc1cncc(CCC(=O)NCc2ccc(N(C)C)cc2C)c1	794335156	DSBUQLDXRBGCPJ-UHFFFAOYSA-N	311.429	3.013	10	20	DGCD	
Cc1ccc(O[C@@H]2CCN(Cc3cccc(Cl)c3O)C2)nc1	1231913255	JVUQLOVHNLNLKE-CQSZACIVSA-N	318.804	3.402	10	20	DGCD	
Nc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1	1336284503	AEOJCIKOPCDHKM-OALUTQOASA-N	314.404	3.496	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(C2[C@@H]3CCCC[C@@H]23)n1C	1338596210	BSEUALXWRDRWJD-ZIAGYGMSSA-N	312.417	3.061	10	20	DGCD	
CS[C@H]1CC[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1	1341568764	DZWSEOIGNRARKO-MSOLQXFVSA-N	320.502	3.239	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C(=O)O)c2ccc(F)c(C)c2)c1	1600464729	JROMMPNMDRXDBD-INIZCTEOSA-N	303.333	3.064	10	20	DGCD	
C[C@H](Cc1ccsc1)N(C)C(=O)NCc1ccc(N)cc1	1576065350	CCBMDCSNOLDUEO-GFCCVEGCSA-N	303.431	3.103	10	20	DGCD	
COCCC(C)(C)CNCc1cccc(Br)c1O	230863869	YJTYGTIKGAKDNY-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
CCN1CCCc2cc(CNC3(C(=O)O)CC(C)(C)C3)ccc21	1776875958	BVIAHNZJRAHRRT-UHFFFAOYSA-N	316.445	3.192	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)c2cccs2)c(C)c1	1776857199	ZWAQMYQONSEJDY-INIZCTEOSA-N	318.442	3.428	10	20	DGCD	
CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	158928555	YIXOQKVFGBCFDX-INIZCTEOSA-N	313.397	3.229	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3c(O)ccc4ccccc34)CC[C@@H]21	164623916	QQFCNDVOSPAYRZ-LPHOPBHVSA-N	310.441	3.462	10	20	DGCD	
C[C@@H](NCc1ccc(Br)cc1O)C1CCOCC1	691475580	BHEVXOUYSYQWIR-SNVBAGLBSA-N	314.223	3.059	10	20	DGCD	
CCOCc1ccc(CNC(=O)CSc2nccs2)cc1	55277402	NFNGTHKOVQUVFS-UHFFFAOYSA-N	322.455	3.088	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(CCOC)CCC2)cc1	177909050	MGKRAUHAYKDISU-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1	185442304	CQFMXTSAMCDACV-UONOGXRCSA-N	320.433	3.361	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCN2CCc3sccc3C2)c1	185104725	GFNKZELDRVMMAG-CQSZACIVSA-N	316.470	3.471	10	20	DGCD	
C[C@@H](NCCc1ccc2c(c1)OCO2)c1cc(F)ccc1O	184896995	HHXLFUWSPNBTMZ-LLVKDONJSA-N	303.333	3.153	10	20	DGCD	
CN(Cc1nccs1)Cc1cc(C(C)(C)C)cc(O)c1O	74724310	NFYLBGMMMBUJQT-UHFFFAOYSA-N	306.431	3.484	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccccc2O)c(Br)c1	159952208	XDDHYPRCWHROHO-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](C)CN2CCCCC2)c1	194190397	ACCLFSRANQPSLA-HUUCEWRRSA-N	306.450	3.173	10	20	DGCD	
CC(C)SCCNCc1cccc(Br)c1O	380778342	BETCYKRQSMKJIR-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
CCCn1c(C)nnc1CN(C)c1ccc(OC(C)C)cc1	191586994	FUDRKFAWDXWBQW-UHFFFAOYSA-N	302.422	3.420	10	20	DGCD	
Cc1ccc(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1	348632819	HMFYUNAWSWQYLX-UHFFFAOYSA-N	320.392	3.294	10	20	DGCD	
Cc1ncsc1/C=C1/SC(=S)N(c2cccnc2)C1=O	255061392	YOIUXXJCDHGRPD-VZUCSPMQSA-N	319.436	3.252	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1CCOC2(CCCCC2)C1	269186705	DENYZQRASRYDTN-HNNXBMFYSA-N	318.417	3.073	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H](c3ncc[nH]3)C2)c1O	273750126	NJTUJRAGBHBAFT-NSHDSACASA-N	321.808	3.157	10	20	DGCD	
COc1cc(Cl)cc(CN[C@]2(C)CCO[C@H]2C2CC2)c1O	273703682	DYSQKDMQERFQCJ-JKSUJKDBSA-N	311.809	3.101	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]1C1CC1	363474211	KABYREVROJFEJD-GOSISDBHSA-N	313.445	3.371	10	20	DGCD	
C[C@@H](NCc1nccn1C)c1ccc(Cl)c(Cl)c1O	273577873	MBKCIQGEDYOVHM-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
C[C@@H]1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CCS1	379489239	CLNPBCURYDDVHM-JOAKQRRISA-N	322.386	3.024	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@H]2COC3(CCCC3)O2)c(O)c1	285304477	SGAZFFRMOZDUSL-GJZGRUSLSA-N	305.418	3.345	10	20	DGCD	
Cc1cc(C(=O)N2CCC[C@H]2CF)c(C)n1-c1ccccn1	294007661	IKNMHNZWMDCWAO-AWEZNQCLSA-N	301.365	3.063	10	20	DGCD	
CCCN1CC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1	389218092	DNYQMKBKBDAUEE-GOSISDBHSA-N	301.478	3.251	10	20	DGCD	
CC(=O)C(=O)COC(=O)c1oc2c(ccc3ccccc32)c1C	808486650	GUUMDTJOFSXGPR-UHFFFAOYSA-N	310.305	3.209	10	20	DGCD	
CCN(C)C(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1	808424041	NXYHLWWLJBFLBE-UHFFFAOYSA-N	311.429	3.457	10	20	DGCD	
C[C@H](NCC1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1	293619612	JPPNGIXMMQZRSS-ZDUSSCGKSA-N	310.388	3.219	10	20	DGCD	
COCCN(C)Cc1ccc2c(c1)CCN2Cc1ccccc1	809544419	IWFCUIQDYGQTBK-UHFFFAOYSA-N	310.441	3.328	10	20	DGCD	
COc1cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)cc1C	811777271	IGVCSWNYWUGYPI-DOTOQJQBSA-N	305.418	3.099	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3ccsc3)C2)cc1	818220550	LROYTWCUDWFWMX-CQSZACIVSA-N	302.443	3.373	10	20	DGCD	
CCCCC[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819166375	VPQAIYCCMNNJST-ZDUSSCGKSA-N	304.390	3.125	10	20	DGCD	
CCOC(=O)[C@@H](C)N(Cc1cc(Cl)c(F)cc1O)C1CC1	816589207	OPLCLKJVICJVGR-SECBINFHSA-N	315.772	3.101	10	20	DGCD	
CN1CCC[C@@]2(CCN(Cc3ccc4ccccc4c3O)C2)C1	816642074	OQHMNSMIXZPZOH-HXUWFJFHSA-N	310.441	3.463	10	20	DGCD	
C[C@H](NC[C@@H](C)CN(C)C)c1cccc(C(F)(F)F)c1O	815627810	KEFQACVOZNQIIL-MNOVXSKESA-N	304.356	3.259	10	20	DGCD	
COC(=O)C[C@H]1CCCCN1Cc1c(O)ccc2ccccc12	726588146	LRAIONLPPBXCDF-OAHLLOKOSA-N	313.397	3.463	10	20	DGCD	
CC[C@H]1CCCCN1C(=O)[C@H](C)N(C)Cc1ccccc1O	731843843	YVBWQPVYNJWWJL-HOCLYGCPSA-N	304.434	3.004	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCC(C)(C)C2)cc1	832266831	JLZLTGDGJGDSHT-NVXWUHKLSA-N	317.477	3.085	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H](C)C(C)(C)O)cc1	836811721	MUYSVAITEAWSHS-OAHLLOKOSA-N	314.429	3.326	10	20	DGCD	
O=C(NCc1cccnc1OC1CCCC1)c1cc(O)cs1	731869597	MNOWIQHTKCNEJA-UHFFFAOYSA-N	318.398	3.100	10	20	DGCD	
CCOc1ccc(O)c(CN2CC3(CCOCC3)C[C@@H]2C)c1	843432148	RFMHRFYTHZTPNB-AWEZNQCLSA-N	305.418	3.182	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCCC[C@@H]1[C@@H]1CCCN1	843047972	FSQDJFUDZIFOBW-LSDHHAIUSA-N	312.816	3.291	10	20	DGCD	
CN(CC[C@H]1CCOC1=O)c1ccc(-c2nccs2)cc1	846991562	FTNQAUOTJHHHNZ-ZDUSSCGKSA-N	302.399	3.200	10	20	DGCD	
CCN(Cc1cc(C)c(C(=O)OC)o1)c1ccc(OC)cc1	746109246	MZIFCXAXDCMXIX-UHFFFAOYSA-N	303.358	3.410	10	20	DGCD	
COC(=O)c1cc(CNCc2cc(Cl)ccc2O)oc1C	846059027	XGBBAHVKQADPCO-UHFFFAOYSA-N	309.749	3.023	10	20	DGCD	
CCN(CC(=O)NCc1ccc(C)cc1)c1ccc(OC)cc1	746109295	OLFUQEPFEAAXBT-UHFFFAOYSA-N	312.413	3.146	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC/C=C\c2ccc(F)cc2)cc1	841046056	VJYDAJFRUILBEW-ZRHASKPBSA-N	313.420	3.195	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc2cc(F)ccc2o1	741843679	MQMKDYGIPOVUHW-GDNBJRDFSA-N	322.295	3.033	10	20	DGCD	
CC(C)OCCN[C@@H](C)c1cc(Br)c(F)cc1O	757688407	YXTMBSQVQAVVDI-VIFPVBQESA-N	320.202	3.369	10	20	DGCD	
CC[C@H](NC[C@H](CO)c1ccc(F)cc1)c1ccccc1O	840881058	NLUJEESTJQLWQZ-PBHICJAKSA-N	303.377	3.348	10	20	DGCD	
CCN(Cc1ccc(C(=O)OC)o1)c1ccc(OC)c(OC)c1	921061507	XMKMRCYWCOELOV-UHFFFAOYSA-N	319.357	3.110	10	20	DGCD	
C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C	758320842	ZMKOERFHWOABSG-IIAWOOMASA-N	303.450	3.377	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2C=CCC2)cc1F	852083454	FUGJAJMAJVPANF-CQSZACIVSA-N	305.397	3.190	10	20	DGCD	
CCO[C@@H](C)c1nc(COC(=O)c2cccc(O)c2O)cs1	758574069	ZPANSYUYXIGNJP-VIFPVBQESA-N	323.370	3.009	10	20	DGCD	
CC[C@@H](NC(=O)NCc1cc(C)ccc1O)c1c(C)noc1C	858324860	IREILBXYLNLBIT-CQSZACIVSA-N	317.389	3.256	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cn1cc(C)cnc1=S	766338546	BBYAURSWHINBMY-UHFFFAOYSA-N	301.415	3.340	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)[C@H](O)C(F)(F)F)c1O	866463170	KMENWGFHYRTGSS-UBJUHAIHSA-N	311.731	3.316	10	20	DGCD	
C[C@H](NC1CCOCC1)c1ccc(N2CCOCC2)cc1Cl	765146870	RBAUAIUUPWRHED-ZDUSSCGKSA-N	324.852	3.006	10	20	DGCD	
CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)ccc1O	769494943	CBEKDRZYYLBGND-HOTGVXAUSA-N	324.852	3.267	10	20	DGCD	
Cc1cnccc1CCNCc1c(O)cccc1Br	1118910014	ZQURSSHKLVVNKV-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
C[C@@H](NCC(=O)N(C)CC1CCCCC1)c1ccccc1O	879648651	XOJQVWDLGFRYLS-CQSZACIVSA-N	304.434	3.082	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H](O)c1cccc(OC(C)C)c1	877036599	RIWBGHIBSKROSX-IBGZPJMESA-N	315.413	3.311	10	20	DGCD	
CC[C@H](NC[C@@H](COC)OC)c1ccc(Cl)c(Cl)c1O	775546683	KUKFSDHPPNSIOX-CABZTGNLSA-N	322.232	3.401	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1nc(C)ncc1C	1117777611	WUVTTZRKOZCJRL-UHFFFAOYSA-N	314.389	3.243	10	20	DGCD	
Cc1ccc([C@H](O)CNCc2cc(Cl)cc(F)c2O)cc1	775200637	NIJVYFARHOMOBY-OAHLLOKOSA-N	309.768	3.316	10	20	DGCD	
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1	773001693	WNTYBHZCHZQQPG-GFCCVEGCSA-N	313.357	3.152	10	20	DGCD	
O=C(c1nccs1)N(Cc1ccco1)Cc1ccccc1O	770510203	UUMLENUQEIYWEQ-UHFFFAOYSA-N	314.366	3.284	10	20	DGCD	
Cc1ccc(O)c(CNc2cccc([C@]3(C)COC(=O)N3)c2)c1	883326884	MIDGBXGCYKWLPR-SFHVURJKSA-N	312.369	3.268	10	20	DGCD	
C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C	775669173	TVXKLQOKJXQTTE-IAGOWNOFSA-N	301.478	3.059	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cc(F)cc(F)c2O)c1	883156230	INWJDNGOLNKXMW-VIFPVBQESA-N	309.312	3.235	10	20	DGCD	
COc1ccc(N(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1OC	785442740	WHBCUIKDIYHAGI-GFCCVEGCSA-N	324.421	3.053	10	20	DGCD	
COc1cc(C)cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c1O	894863110	QNESTEUCLYGGCI-SFHVURJKSA-N	317.429	3.100	10	20	DGCD	
COc1ccc(O)c(CNCc2oc3ccccc3c2OC)c1	789584690	TVKDSZJYJGLANC-UHFFFAOYSA-N	313.353	3.445	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2cc(F)ccc2F)cc1	784568119	VJKUDBORSLTJHZ-UHFFFAOYSA-N	321.323	3.153	10	20	DGCD	
C[C@H](NCCc1cncn1C)c1cccc(C(F)(F)F)c1O	798183954	XCOTYYAQZIOYKI-JTQLQIEISA-N	313.323	3.038	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCCSC)cc1	798375867	NCQPQQHSCHHQPK-UHFFFAOYSA-N	323.506	3.427	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@@H](C)C(C)(C)C)cc1C	1149008530	PPROGWHXEQUSCC-OAHLLOKOSA-N	320.477	3.282	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)CN[C@H]1CCc2cccc(O)c21	697820966	AIWLRTJRLQUKGS-OCCSQVGLSA-N	320.433	3.130	10	20	DGCD	
CC/C(C)=C\C(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089831008	QFKYCNXYWQLENP-YPKPFQOOSA-N	317.408	3.220	10	20	DGCD	
CC[C@H]1C[C@@H](C)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1319707755	XSRWGKHNYBYMFY-WBVHZDCISA-N	319.468	3.198	10	20	DGCD	
CN(C[C@H]1CC1(C)C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1606096242	GMGUFALIBFBKLP-HOSRBBHYSA-N	304.346	3.175	10	20	DGCD	
C/C=C(\C=C\C(=O)NCc1ccc(N2CCOCC2)cc1)CC	161511349	BGVWVFDUXVJCCR-MZUDZQDYSA-N	314.429	3.052	10	20	DGCD	
CCOc1cccc([C@H]2Nc3ccc(C)cc3C(=O)N2C)c1O	153688089	SYLKTWCTPVHSEU-KRWDZBQOSA-N	312.369	3.296	10	20	DGCD	
C[C@@H]1C[C@@H](CNCc2c(O)cccc2Br)CCO1	706809588	GHXCIRFKJLWSKL-MNOVXSKESA-N	314.223	3.059	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1cccs1	28335924	OQFUEXFKEQXQFH-ZHACJKMWSA-N	300.427	3.486	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCCOC2)cc1	55920234	MQONVMYNQIZWTP-INIZCTEOSA-N	312.413	3.251	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)CCN1C	90721731	XBZUWVIBGDOXFQ-CABZTGNLSA-N	303.233	3.271	10	20	DGCD	
C[C@H](O)C[C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1	93482182	HOWHNLDGQNAIKW-QFBILLFUSA-N	302.462	3.412	10	20	DGCD	
CCCCOCC(=O)NCc1ccc(N(CC)CC)c(F)c1	118337378	IZEKTRXCADPHJB-UHFFFAOYSA-N	310.413	3.105	10	20	DGCD	
CC[C@H](NC1CCN(C2CC2)CC1)c1ccc(N(C)C)cc1	119685722	PCMBERQPANZTSO-IBGZPJMESA-N	301.478	3.420	10	20	DGCD	
CCOc1cccc(CNc2cccc(-c3n[nH]c(C)n3)c2)c1O	119813765	FJMOCCYYRBUBFX-UHFFFAOYSA-N	324.384	3.497	10	20	DGCD	
Oc1ccccc1CNCc1cccc(Br)c1O	134235723	RIDYOFGFEZLWHI-UHFFFAOYSA-N	308.175	3.150	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccccc2OC(F)F)c(O)c1O	179406354	PREAWQMGOMWEST-UHFFFAOYSA-N	309.268	3.260	10	20	DGCD	
CCN(CC)[C@H](CNCc1cc(F)ccc1O)c1ccco1	180542120	YRVHKICMUIEWKS-OAHLLOKOSA-N	306.381	3.297	10	20	DGCD	
C[C@@H](CC1CCCC1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183488530	DRMJWRMBDCGDNN-QWHCGFSZSA-N	305.418	3.361	10	20	DGCD	
COC(=O)N1CCC([C@H](C)N[C@H](C)c2ccc(F)cc2O)CC1	186776207	LWBSPINMLFKSGD-NWDGAFQWSA-N	324.396	3.049	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1nc(C(C)(C)C)no1	237606851	HCRVDHDPRZLZPV-LBPRGKRZSA-N	302.422	3.284	10	20	DGCD	
Cc1cc(C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c(C)n1-c1ccccn1	247629076	UPXQGECLKKOKPO-LBTBCDHLSA-N	321.424	3.263	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCS1	266620969	ZIWSAIPUJDGBKQ-MRXNPFEDSA-N	306.475	3.385	10	20	DGCD	
Cc1cccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1O	271826991	OBCFBGVAXAQNGA-HNNXBMFYSA-N	313.401	3.341	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC2([C@@H](C)CCO)CCC2)c1	273532156	WRCNNJVJHYBCMN-KBPBESRZSA-N	307.434	3.240	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CCc2ccco2)c1O	278912455	SQSBQJTYDXKLNS-NSHDSACASA-N	320.345	3.013	10	20	DGCD	
COC(=O)c1cnc(SC[C@H](Cc2ccccc2)OC)s1	295385867	UOXWYMWIBQQRQK-LBPRGKRZSA-N	323.439	3.280	10	20	DGCD	
CO[C@H]1CCN(Cc2cccc(Br)c2O)[C@@H](C)C1	302276894	BJDPUBUFIHERKU-JQWIXIFHSA-N	314.223	3.154	10	20	DGCD	
CC(C)CN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])C1CC1	314765202	ZPSZVRMGMILPNT-XBXARRHUSA-N	304.346	3.317	10	20	DGCD	
CCNC(=O)c1cccc(N[C@H](C)c2ccc(F)cc2O)c1	316279428	SEWJMVQGOFFPJT-LLVKDONJSA-N	302.349	3.454	10	20	DGCD	
CC[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1O	367554378	SFFAQBSMZAUJMB-RYQLBKOJSA-N	301.361	3.230	10	20	DGCD	
CC[C@H](NCc1cnc2n1CCCC2)c1ccc(F)cc1O	375800453	AQWCZNDXIJJFSY-HNNXBMFYSA-N	303.381	3.305	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC3(CCC3)C2)c([N+](=O)[O-])c1	380397387	LVNNKDZRNXEXML-HYXAFXHYSA-N	302.330	3.073	10	20	DGCD	
Cc1ccc([C@H](C)NCC2CN(C(=O)OC(C)(C)C)C2)c(O)c1	397858750	DGTVJMDMOSDETP-ZDUSSCGKSA-N	320.433	3.218	10	20	DGCD	
Cc1ccc(C(=O)OCCO[C@H]2CCCC[C@@H]2C)c(O)c1O	727004061	MBUFOYVZWIXESH-FZMZJTMJSA-N	308.374	3.158	10	20	DGCD	
CN(C)C(=O)Sc1cccc(NC(=O)c2cc(O)cs2)c1	733365277	YAQCNHSSCAKIHW-UHFFFAOYSA-N	322.411	3.480	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@H](C)c1cc(F)ccc1O	757653540	JIHYGISANNIZBA-OCCSQVGLSA-N	307.365	3.423	10	20	DGCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@H](c2ccsc2)O1	760140195	GGHBFDNQLMQQDL-JOYOIKCWSA-N	309.412	3.117	10	20	DGCD	
COc1ccc(N(C)Cc2ccc3c(c2)ncn3C)cc1OC	761221379	JSHJYFZKRSYUIU-UHFFFAOYSA-N	311.385	3.227	10	20	DGCD	
CCn1nc(C)c(CN[C@H](C)c2ccc(N(C)C)cc2)c1C	765658677	IXBPONCOMXBHGY-CYBMUJFWSA-N	300.450	3.437	10	20	DGCD	
CNC(=O)c1ccc(CN2CCCCc3cc(OC)ccc32)cc1	766268898	GXNGWVYKIQQEEC-UHFFFAOYSA-N	324.424	3.398	10	20	DGCD	
CCOc1ccc(CN(C)Cc2nccn2C(F)F)c(O)c1	768349886	OTDIGALZOFQFJO-UHFFFAOYSA-N	311.332	3.015	10	20	DGCD	
CC(=O)N1CCc2c(NCc3ccc(N(C)C)cc3)cccc21	768948062	VMQNFOQSROBUOV-UHFFFAOYSA-N	309.413	3.274	10	20	DGCD	
Cc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ccccn12	773018537	VXQZZPBTLTXBLF-CYBMUJFWSA-N	322.412	3.200	10	20	DGCD	
CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	775409887	HNYCDJSDGHPLOD-CYBMUJFWSA-N	310.397	3.446	10	20	DGCD	
CCc1nn(C)cc1CN(Cc1ccc(N(C)C)cc1)C1CC1	775649058	KFTVRQLYJOQUGR-UHFFFAOYSA-N	312.461	3.213	10	20	DGCD	
C[C@H]1CN(Cc2cccc(Cl)c2O)C[C@@H](C(F)(F)F)O1	775719090	BZHRWGPLIDIQQC-KWQFWETISA-N	309.715	3.197	10	20	DGCD	
C[C@@H](NCc1nnc(C(C)(C)C)o1)c1ccc(N(C)C)cc1	775836086	YTZVSVNVADKGOC-GFCCVEGCSA-N	302.422	3.284	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)CN1C	775987745	WFESPXFEXNVRAX-IAGOWNOFSA-N	301.478	3.201	10	20	DGCD	
CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1	776586538	FVWUCRUXBFYIEO-KRWDZBQOSA-N	316.357	3.163	10	20	DGCD	
CCN1C[C@H](CN(C)Cc2ccccc2O)Oc2ccccc21	778995544	ZFUYRGKVLIHEAG-INIZCTEOSA-N	312.413	3.112	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)[S@]1=O	792192352	NCCOALCTKZPMIG-MFKICJERSA-N	320.502	3.018	10	20	DGCD	
CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(OC)cc1O	794386921	AZRKTPGNDNVFOO-QGZVFWFLSA-N	321.417	3.145	10	20	DGCD	
CCOc1ccc(CNCC[C@H]2C[C@H](C)O[C@H](C)C2)c(O)c1	801732788	WYDJULALHVTQLO-QDMKHBRRSA-N	307.434	3.474	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cncs2)cc1	807299086	PKRUYHHVTQINBP-UHFFFAOYSA-N	303.431	3.262	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2nnnn2C2CC2)c1O	808716438	NOLYMJIMNILMQT-UWVGGRQHSA-N	321.812	3.087	10	20	DGCD	
Cc1ccoc1CNC(=O)NCCCSc1nccs1	813681123	KIFPSAJNUBNIIW-UHFFFAOYSA-N	311.432	3.026	10	20	DGCD	
CCCN(C)C[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816516838	SPZMDXBDFIUMED-GFCCVEGCSA-N	314.832	3.348	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CNCC[C@@H]3C)cc2)CC1	817902781	YEEROIXBQJRKQY-LPHOPBHVSA-N	301.478	3.011	10	20	DGCD	
C[C@H](NCC[C@H]1CCNC1)c1cc(Cl)c(Cl)cc1O	817955027	OXGNEOSMQJDVDJ-VHSXEESVSA-N	303.233	3.349	10	20	DGCD	
O[C@H](CCc1ccccc1)CNCCCSc1nccs1	819062170	BXKODBUKMJRCKR-OAHLLOKOSA-N	322.499	3.209	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C	821803241	DRQDPQPNRKDOGU-CYBMUJFWSA-N	323.400	3.035	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C\c2cncc(C)c2)cn1	823431510	ZVASTIUXXOEUEO-SREVYHEPSA-N	312.417	3.309	10	20	DGCD	
COCC1CCC(NCc2ccc3c(c2)CCCN3C)CC1	823729266	DNHFKZPYWKFQFH-UHFFFAOYSA-N	302.462	3.364	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1O	825142472	SHFQTPJLDGVZFE-BLLLJJGKSA-N	323.400	3.374	10	20	DGCD	
C[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CCC1)c1ccccc1O	827952353	OXIQZFGSFRAOLY-GFCCVEGCSA-N	319.401	3.081	10	20	DGCD	
Cc1cc(CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)ccc1N1CCCCC1	831631560	KEXDGPCDDUFGPQ-VURPSTOHSA-N	324.468	3.371	10	20	DGCD	
CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(C(=O)OC)ccc1O	834912858	MUXKAJHDIIETRF-SRCQZFHVSA-N	321.417	3.177	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H](C)CCCCN)c1O	841079919	ORNRYMHPKFJICI-LLVKDONJSA-N	315.255	3.070	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCNC3(CCC3)C2)cc1F	841089395	MKODREVFMOAZSR-INIZCTEOSA-N	319.468	3.436	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@@H]2c2ccsc2)cc1	841963346	ZEMRURSGGKVJRP-MRXNPFEDSA-N	315.442	3.420	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)C[C@@H](C)N)c(C)n1-c1ccc(F)cc1	843506581	ZELXKPIMRQWLQZ-VXGBXAGGSA-N	317.408	3.089	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@H](C(F)(F)F)C2)c1	845971216	INPTUUXQTJZMJO-RBZYPMLTSA-N	319.323	3.161	10	20	DGCD	
CCc1cccc(CN[C@H](CN(C)C)c2ccc(F)cc2)c1O	848912244	PFSHASHFMVDGFQ-GOSISDBHSA-N	316.420	3.486	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCOC(C2CC2)(C2CC2)C1	853582584	QMRAWCUDMAXTPY-UHFFFAOYSA-N	324.424	3.331	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c1	858349695	NJAPWAYAPRJBRK-CVEARBPZSA-N	320.433	3.094	10	20	DGCD	
COC(=O)c1csc(CNc2ccccc2NC(C)C)n1	871846218	VNHUQFQRMUZLRW-UHFFFAOYSA-N	305.403	3.362	10	20	DGCD	
Cc1ccc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(O)c1	876512512	QLKWRJYKJZRXEO-HNNXBMFYSA-N	322.412	3.474	10	20	DGCD	
CC[C@@H](C)[C@@H](CN(C)Cc1ccc(N2CCOCC2)cc1)OC	876551292	OLWFFJGUMGYYLU-VQIMIIECSA-N	320.477	3.016	10	20	DGCD	
O=S(=O)(CCC1CCCC1)Nc1ccc(O)cc1Cl	882750587	CNJVSPICVLWOIR-UHFFFAOYSA-N	303.811	3.368	10	20	DGCD	
C=C/C=C\CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	883267565	KFIFTNFXPCBDHC-XVWMLYKFSA-N	304.409	3.445	10	20	DGCD	
COCc1nccc(N[C@H](C)Cc2ccc(N(C)C)cc2C)n1	894217588	AIUQUEGDEGRGSC-CQSZACIVSA-N	314.433	3.041	10	20	DGCD	
C[C@H](Cc1cccnc1)NCc1cc(F)c(N(C)C)cc1F	897967751	YAPALUYJPPJNFJ-GFCCVEGCSA-N	305.372	3.147	10	20	DGCD	
COC(=O)C1(CNCc2ccc(N3CCCC3)cc2)CCCC1	1325146011	MQMPLCNPGHHIQJ-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
CC[C@H](CCc1ccccc1)NC(=O)NCc1ccc(N)cc1	1335588252	GJZMESFNKBWRHL-GOSISDBHSA-N	311.429	3.479	10	20	DGCD	
COc1cc(CN[C@H](C)C2CCNCC2)c(O)c(C(C)(C)C)c1	1579153889	OEHXYHKJCKSJAQ-CYBMUJFWSA-N	320.477	3.176	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCC(C)(C)N)c1C	1579785245	FTMGHHUKUGMERC-UHFFFAOYSA-N	313.445	3.260	10	20	DGCD	
C(=C/c1nc(-c2nn[nH]n2)cs1)\c1ccc(N2CCCC2)cc1	1588381641	MUWNMUFHDCDYSN-VMPITWQZSA-N	324.413	3.094	10	20	DGCD	
O=C(Nc1cc(Cl)c(F)c(C(=O)O)c1)c1cc(O)cs1	1608500073	PPKVONQLDGZFBA-UHFFFAOYSA-N	315.709	3.197	10	20	DGCD	
COc1ccc(N(Cc2cccs2)Cc2nncn2C)cc1	170723717	RNLUXYMSARULAM-UHFFFAOYSA-N	314.414	3.092	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCc1ccccc1	115640407	ZDHFUXCUSYIBHA-UHFFFAOYSA-N	311.429	3.103	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCc2ccccc21	111880299	VJFKFUZUJANQMP-OAHLLOKOSA-N	310.397	3.264	10	20	DGCD	
CN(Cc1ccc([S@](C)=O)cc1)Cc1cccc(Cl)c1O	180503286	DNMSKUYSJSQCEE-NRFANRHFSA-N	323.845	3.415	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cc(F)ccc2[N+](=O)[O-])c1	182367062	KBLSPPFRQJDWRQ-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
CNC(=O)CCNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	74371641	OTJPTACTKXZCTG-UHFFFAOYSA-N	320.477	3.213	10	20	DGCD	
CC[C@H](C)[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	182370248	UMRLELCZKKBZPK-GJZGRUSLSA-N	304.434	3.026	10	20	DGCD	
CCSCC[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	76786619	IJDDUKKNXWBHEI-AWEZNQCLSA-N	323.506	3.426	10	20	DGCD	
CC1(C)CCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	315634123	QMHAEJHNUBGOQX-FNORWQNLSA-N	304.346	3.319	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)ccc1O	182477042	KMCPFMUPOANURS-UHFFFAOYSA-N	309.362	3.257	10	20	DGCD	
Cc1c(/C=C/C(=O)N(CC(F)(F)F)c2ccccc2)cnn1C	130974031	LRSXQVZNOHESIY-CMDGGOBGSA-N	323.318	3.337	10	20	DGCD	
CN(C)c1ccc(CNc2cccc(-n3ccnn3)c2)cc1F	136839899	LEQZYZSSUGFCHC-UHFFFAOYSA-N	311.364	3.085	10	20	DGCD	
CCCCN1CCC(NCc2cccc(OCC)c2O)CC1	236760128	MJOZTKFSYULSCF-UHFFFAOYSA-N	306.450	3.145	10	20	DGCD	
Nc1ccc(CCNC(=O)Cc2ccc3c(c2)CCCC3)cc1	237937955	QIPZTTURVMXYTO-UHFFFAOYSA-N	308.425	3.049	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C=C(C)C	268458020	CEEHGIYXIKFZIM-UHFFFAOYSA-N	312.207	3.469	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@H](C)c1ccc(C)c(C)c1O	273566836	JTAWMMFLZAPNSS-HZPDHXFCSA-N	308.466	3.016	10	20	DGCD	
C[C@H](NC[C@H]1CCCCO1)c1ccc(Br)cc1O	273429328	VFVOQBJKTAEHBN-CMPLNLGQSA-N	314.223	3.374	10	20	DGCD	
COCC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccco1	273409194	HMLVJEMAQVGPDV-BXUZGUMPSA-N	320.345	3.322	10	20	DGCD	
C[C@H]1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CCS1	379489245	CLNPBCURYDDVHM-TZNOJPMFSA-N	322.386	3.024	10	20	DGCD	
CC(C)[C@@H](Cn1cccn1)NCc1ccc(N2CCCC2)cc1	284261908	WHDHOCKGVIRXHX-LJQANCHMSA-N	312.461	3.298	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCc2nnc(C)s2)cc1	289933373	VONMLSGGKMIOQK-GFCCVEGCSA-N	304.463	3.196	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1C	289699177	ONQIFPFUUHOWGF-UONOGXRCSA-N	317.351	3.002	10	20	DGCD	
CC1=C(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCO1	807836887	SSPZYWARSXPOGG-UHFFFAOYSA-N	316.184	3.400	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)CCC=C(C)C)c1O	298001972	DDRHPFVVONFECW-ZDUSSCGKSA-N	306.406	3.335	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccnn1CC	801644313	WATYSMPYKFQCPM-UHFFFAOYSA-N	316.405	3.443	10	20	DGCD	
CC[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)OC	290968359	BKZRIZFPVMSPLI-KRWDZBQOSA-N	321.465	3.098	10	20	DGCD	
CS[C@H](C)CNCc1cc(Br)cc(F)c1O	715745263	LLNCSGHQNBELBM-SSDOTTSWSA-N	308.216	3.135	10	20	DGCD	
C[C@H](NCCc1ccc(N)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2	817956409	YJFBIHYYNRGBKH-ZDUSSCGKSA-N	323.440	3.392	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3cc(C)nc(C)n3)C2)cc1	819934950	IYLRYUOPFMKEDP-OAHLLOKOSA-N	312.417	3.040	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC3CCC2CC3)cc1F	814312525	JHBLSUXNPQFMNQ-PESDSKBTSA-N	304.409	3.334	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@H]2CN(CC(C)C)CCO2)c(O)c1	815553441	AGFMEICIYFTGCC-IRXDYDNUSA-N	320.477	3.016	10	20	DGCD	
CC[C@H](N[C@@H]1CCCNC1)c1cc(Cl)cc(Cl)c1O	817942033	WBUZWFWTQKGDPI-MFKMUULPSA-N	303.233	3.492	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cccc(OCC)c1O	827750609	KZPVVAOEGIROML-YJBOKZPZSA-N	321.417	3.002	10	20	DGCD	
CC(C)(CNC(=O)NCc1ccccc1O)c1cccc(F)c1	735754985	KQFCGXPSGWRMPT-UHFFFAOYSA-N	316.376	3.308	10	20	DGCD	
CC[C@H](N[C@H](C)CC(=O)NC)c1cc(Cl)cc(Cl)c1O	834901564	WASNRZSGGUGERC-PELKAZGASA-N	319.232	3.264	10	20	DGCD	
CCOc1ccc(O)c(CN(C)C[C@H](C)C(=O)OC(C)(C)C)c1	839193836	WJDMFVNOHUPZCU-ZDUSSCGKSA-N	323.433	3.201	10	20	DGCD	
CC(C)OCc1noc(CSc2ncc(Cl)s2)n1	918087876	OVFBZRBWYBCLSF-UHFFFAOYSA-N	305.812	3.397	10	20	DGCD	
Cc1cc(C)n([C@@H](C)CC(=O)NCc2cc(Cl)ccc2O)n1	846474070	XOCYFQZOQCFQGA-LBPRGKRZSA-N	321.808	3.126	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CS[C@H](C)C1	840416758	MSSSTGBABKMUAF-HIFRSBDPSA-N	321.490	3.178	10	20	DGCD	
CC[C@@H](CCC(=O)O)NCc1ccc(N(CC)CC)c(F)c1	841810118	FRIJIMAOAWPBLE-AWEZNQCLSA-N	310.413	3.405	10	20	DGCD	
CC[C@H](Nc1ccc2c(c1)nnn2C)c1ccc(F)cc1O	842900254	GQZHQMRAYGOUCG-ZDUSSCGKSA-N	300.337	3.376	10	20	DGCD	
CC(C)c1cc(NC(=O)NCc2cc(Cl)ccc2O)no1	844548384	XNPQLPRICOGTHV-UHFFFAOYSA-N	309.753	3.479	10	20	DGCD	
CC1CCC(OCC(=O)NCc2cc(Cl)ccc2O)CC1	846472553	ABVBNBHIAGHKPK-UHFFFAOYSA-N	311.809	3.257	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@@H](C)c1cc(F)cc(F)c1O	756768191	BCUUXFKPHZWBEZ-JTQLQIEISA-N	323.387	3.380	10	20	DGCD	
C[C@H](NC[C@@H](O)[C@H](C)c1ccccc1)c1ccc(F)cc1O	850573479	MQUJONXAZGUTOW-FHSNZYRGSA-N	303.377	3.347	10	20	DGCD	
CCOc1ccc(NC(=O)COc2ccc(N(C)C)cc2)cc1	757701528	BGVIZZQERVMORL-UHFFFAOYSA-N	314.385	3.169	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]2C[C@@H]2C1	852385732	SQWNKGQGDONPJB-USXIJHARSA-N	315.461	3.043	10	20	DGCD	
C[C@H]1Cc2ccccc2CN1Cc1ccc(N2CCOCC2)cc1	769484603	XMWYCEYSRIVUCQ-KRWDZBQOSA-N	322.452	3.470	10	20	DGCD	
CCOc1ccc(CN2CCC(CN(C)C(C)C)CC2)c(O)c1	768925261	AQXNTLCFCLKKOI-UHFFFAOYSA-N	320.477	3.343	10	20	DGCD	
CC1(C)C[C@H]2C[C@@](C)(CN2Cc2cc3c(cc2O)OC[C@@H]3O)C1	768437977	MKWLWZXLXJAYRL-IYJAJMOOSA-N	317.429	3.219	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cc(C)c(C)cc1O	779431985	JEXYZKCQNBAFNV-MAUKXSAKSA-N	305.418	3.221	10	20	DGCD	
COc1ccc2c(c1)CCCN2C(=O)/C=C/c1scnc1C	776749689	DGSZVAROKRLOKL-BQYQJAHWSA-N	314.410	3.453	10	20	DGCD	
CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1cc(Cl)ccc1O	877857402	QPMDQKHZWILKJN-CYBMUJFWSA-N	310.825	3.301	10	20	DGCD	
CC(C)[C@H]1CCN1C(=O)NCc1ccc2c(c1)CCCN2C	776041420	LMASQHYGTSRCKS-MRXNPFEDSA-N	301.434	3.009	10	20	DGCD	
O=C1/C(=C\c2ccc(Cl)cn2)SC(=S)N1C1CCC1	887272115	HHBKZROQFULCNV-IZZDOVSWSA-N	310.831	3.489	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)C[C@@H](C)O)c2C)c1	783628484	KQGSCEWDMOLVCE-UKRRQHHQSA-N	314.429	3.292	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)c(O)c1O	780953729	IJUXTQTUILVODG-GFCCVEGCSA-N	305.296	3.113	10	20	DGCD	
COc1ccc(CNCCCNc2ccccc2)c(O)c1OC	892396281	CGMMLHTVYAQGJR-UHFFFAOYSA-N	316.401	3.001	10	20	DGCD	
C[C@H](O)c1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1F	796523720	UGWZHCDFTMBIMB-VIFPVBQESA-N	306.293	3.105	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)[C@@H](O)c2ccc(F)cc2)c1O	894259861	ZNQZEEIJLZWSDR-YVEFUNNKSA-N	319.376	3.060	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@](C)(O)C(F)(F)F)cc1	799106392	FRMLPAJSKUVEOG-HNNXBMFYSA-N	318.383	3.278	10	20	DGCD	
OC[C@H](NCc1c(O)ccc(Cl)c1F)c1ccc(F)cc1	790966247	CMIMSDNYABIGGI-ZDUSSCGKSA-N	313.731	3.147	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@H](C)N(C(=O)C=C(C)C)C2)cc1C	987918988	PFZNQPLFSIKPDW-RDJZCZTQSA-N	316.445	3.049	10	20	DGCD	
O=C(NCc1cccc(O)c1O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	1347542061	IDFNWGBEBTXSLQ-SKLAPFLYSA-N	319.376	3.023	10	20	DGCD	
CCN(C)c1ccc(CN[C@@]2(C(=O)O)CC[C@H](C)C2)c(C)c1	1776856775	KSEBPTKWPYJLQX-UGSOOPFHSA-N	304.434	3.184	10	20	DGCD	
COc1cccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1O	54682422	QXTCDLKZNHSXHV-OAHLLOKOSA-N	318.760	3.251	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCC[S@@](=O)C(C)(C)C)cc1	178409797	ROCGMNXBLFMWRL-LHSJRXKWSA-N	310.507	3.341	10	20	DGCD	
COc1cc(CN2CCOC3(CCC3)C2)c(O)c(C(C)(C)C)c1	129701017	ARIVLSDXTFBKPF-UHFFFAOYSA-N	319.445	3.453	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCOCC2)cc1	180165434	DFVGPCCJQKDYIN-KRWDZBQOSA-N	312.413	3.393	10	20	DGCD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nccs1	47248233	XXLLPSSHAWEPAU-UHFFFAOYSA-N	309.372	3.091	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCOC[C@H]1C1CC1	93645258	JWBGAPRFTYGPAT-IBGZPJMESA-N	300.446	3.288	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1C	246371644	OBEOGCUBYCVCNB-LPHOPBHVSA-N	314.473	3.458	10	20	DGCD	
Cc1c(CNc2ccnc3c2cnn3C)n(C)c2ccccc12	343082190	KLCIWWJSAHOHOZ-UHFFFAOYSA-N	305.385	3.381	10	20	DGCD	
CCn1nccc1C1CCN(Cc2ccc(N(C)C)cc2)CC1	278741957	AHHPZMDDVHJKSH-UHFFFAOYSA-N	312.461	3.349	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCC[C@@H](C)O)c2C)c1	279142049	OMHSKMYVRBEUCX-OAHLLOKOSA-N	314.429	3.293	10	20	DGCD	
C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1O	273354343	CGBFDVBDPHJAHL-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H](CO)Cc2ccc(F)cc2)c1	273449163	FONMVEDPLFZMCT-CJNGLKHVSA-N	303.377	3.094	10	20	DGCD	
Cc1ccccc1-c1nc(CNCc2ccc(N(C)C)cc2)no1	276805957	WSIXDKVUJGSEPO-UHFFFAOYSA-N	322.412	3.401	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC=C(c2ccccc2)C1	378603339	CLIFIJUVSUZIHR-VQHVLOKHSA-N	307.349	3.037	10	20	DGCD	
CC[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1O	286337734	YRAWWVKVDLVCAA-HIFRSBDPSA-N	309.381	3.258	10	20	DGCD	
CC[C@H](NCCN(C)CCCOC)c1cccc(Cl)c1O	287841281	WFVRVNOWZABFCJ-HNNXBMFYSA-N	314.857	3.055	10	20	DGCD	
COc1cc(Cl)cc(CN2CCNCC23CCCCC3)c1O	388880238	QRPLFZNKMXQHFU-UHFFFAOYSA-N	324.852	3.162	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]3C[C@H]32)cc1F	806772555	SCPUKQIFPLOCQC-RHSMWYFYSA-N	319.424	3.366	10	20	DGCD	
CCC(CC)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819584419	JFOLKZVJMWLWNA-INIZCTEOSA-N	318.461	3.464	10	20	DGCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4cc(Cl)c(F)cc4O)[C@H]1[C@H]3C2	816608398	YNLJMRAVXWAFQH-ZNCFMEQTSA-N	311.784	3.040	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H]3[C@H](CCCN3C)C2)cc1Cl	824933041	ATLPQPPEKUDHKR-CJNGLKHVSA-N	308.853	3.270	10	20	DGCD	
C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1ccccc1O	827923094	JHWMVICEJAMGPI-CYBMUJFWSA-N	323.396	3.469	10	20	DGCD	
C/C(=C\C(=O)N1CC(C)(C)Oc2ccccc21)c1cnccn1	827276787	PTVNDQRWFSSKMV-JLHYYAGUSA-N	309.369	3.084	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1C	822210522	FXJBXHUJTVWJAF-CYBMUJFWSA-N	323.400	3.040	10	20	DGCD	
O=C(O)[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1	904258634	QKTCGCJDZKSAED-QGZVFWFLSA-N	315.344	3.066	10	20	DGCD	
Cc1ccc(O)c(CNCc2ccccc2Cn2ccnc2)c1	733324358	RLXRGGRVIHYLLD-UHFFFAOYSA-N	307.397	3.235	10	20	DGCD	
Oc1c(Br)cccc1CNc1cnc(C2CC2)nc1	902090114	KDOLRKFQDVMDAP-UHFFFAOYSA-N	320.190	3.434	10	20	DGCD	
CC1(C)CNCC[C@H]1NCc1cc(Cl)cc(Cl)c1O	841072022	DUAXMEDAEJKGJI-GFCCVEGCSA-N	303.233	3.177	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(F)nc1F)c1ccc(N(C)C)cc1	844680801	ZCAZNMRVZQQWNJ-SNVBAGLBSA-N	320.343	3.309	10	20	DGCD	
CC(C)(C)c1ccncc1CNCc1cc2c(cc1O)OCO2	840958031	HRCMAYGPQGVTMR-UHFFFAOYSA-N	314.385	3.103	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](C(C)C)N2CCCC2)c1O	846138624	LSQXLWMMBXQIPX-GOEBONIOSA-N	306.450	3.172	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC(C)(C)C3)ccc21	684081118	BMWYYXQKEZVLEE-UHFFFAOYSA-N	314.429	3.387	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1cccc(Cl)c1O	843058365	PWGSJIXFPVDDAB-UHFFFAOYSA-N	302.805	3.457	10	20	DGCD	
C[C@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)c1c(O)cccc1F	927002617	WJWRTZXLQJEWAB-RYUDHWBXSA-N	324.396	3.191	10	20	DGCD	
CC1(C)CCN(C(=O)NCCCSc2nccs2)CC1	759591815	ZJQJFPUNSNSHIZ-UHFFFAOYSA-N	313.492	3.457	10	20	DGCD	
C[C@@H](NCC1(C(N)=O)CCCC1)c1ccc2ccccc2c1O	756584770	GKLJQBSRDYQCAR-CYBMUJFWSA-N	312.413	3.242	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC(=O)N[C@H](C)C(C)C)cc1	759643070	KRJIBCSJUICIML-MRXNPFEDSA-N	319.493	3.125	10	20	DGCD	
COc1ccc(N(C)CC(=O)NC2CCCCCC2)cc1F	757851517	LRTINXWCCVZEHV-UHFFFAOYSA-N	308.397	3.110	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1	858249286	NNGNKGHNCBBZNK-WBVHZDCISA-N	310.397	3.131	10	20	DGCD	
C[C@H](NC[C@H](O)[C@H](C)c1ccccc1)c1cc(F)cc(F)c1O	850574646	ZXQDAALQVVJWIR-PEBVRCNWSA-N	321.367	3.486	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC=C(C(F)(F)F)CC2)c1O	757120967	RAOWAILJTAEFSJ-UHFFFAOYSA-N	317.282	3.428	10	20	DGCD	
C[C@@H](NC[C@@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1O	756455528	DDOVFEVWZVTKGB-OCCSQVGLSA-N	321.367	3.172	10	20	DGCD	
CC1(F)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	868297762	LVZXCPTZTABHTG-UHFFFAOYSA-N	317.408	3.096	10	20	DGCD	
CCC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C	763307047	XQPYBHMNSOXIBN-GOSISDBHSA-N	318.461	3.416	10	20	DGCD	
O=C([C@H]1CC12CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1	760124799	MAMXTNQPRZUWRZ-JKSUJKDBSA-N	315.413	3.090	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C(C)C)n2)c1	762539099	VETPHAVVMKIIFK-GFCCVEGCSA-N	314.385	3.410	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)C1SCCS1	761147971	ZVBJAFFOEYZXCE-UHFFFAOYSA-N	322.499	3.099	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)C[C@H]3CCOC3)CC2)cc1	766583248	RYHUVCCYLMUPHV-JKSUJKDBSA-N	318.461	3.069	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC12CCC2	876425382	ATYLMSYRMLSPDJ-MRXNPFEDSA-N	301.434	3.227	10	20	DGCD	
CN(C(=O)CCc1ncc(C(C)(C)C)o1)c1ccc(N)cc1	877075870	KJMCFGKJVPBTMV-UHFFFAOYSA-N	301.390	3.150	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)NC(C)(C)CC)cc1	772237954	SDRYZYHBAGDAPL-HNNXBMFYSA-N	319.493	3.316	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccn(C(F)F)n1	775774074	LEPJFUAOFHJRRC-UHFFFAOYSA-N	309.316	3.036	10	20	DGCD	
COc1cc2ccccc2cc1C(=O)NCc1ccc(O)c(O)c1	778919777	MBUWMTDCKISXCC-UHFFFAOYSA-N	323.348	3.190	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OC[C@@H]3CC[C@@H](C)O3)sc2n1	789010095	AQAKNBGMZWNYGT-MNOVXSKESA-N	320.414	3.220	10	20	DGCD	
Cc1cc(C)c(C(=O)O)cc1NCc1cc([N+](=O)[O-])ccc1O	789902123	KPRJOSKQTDNZOH-UHFFFAOYSA-N	316.313	3.228	10	20	DGCD	
CNC(=O)c1ccc(NCc2cc(C)ccc2O)cc1Cl	789890824	XFBNMGUVBRRGMV-UHFFFAOYSA-N	304.777	3.326	10	20	DGCD	
CCCCC[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC	789575463	LIOVNHHWRGNJJY-HNNXBMFYSA-N	310.413	3.103	10	20	DGCD	
CCCCC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC	789575464	LIOVNHHWRGNJJY-OAHLLOKOSA-N	310.413	3.103	10	20	DGCD	
CSC1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	789213379	PHVDWULKZVGICA-LBPRGKRZSA-N	307.463	3.008	10	20	DGCD	
CCC[C@@](C)(CC)C(=O)NCc1ccc(N2CCOCC2)cc1	793161798	HIYNNFAPXODXMR-LJQANCHMSA-N	318.461	3.356	10	20	DGCD	
C[C@@H]1COCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1	792827283	BLVJAGUHJAEYQL-LBPRGKRZSA-N	316.367	3.240	10	20	DGCD	
CCN1CCCC[C@H]1CNCc1c(O)ccc(Cl)c1F	790961644	YROXXXSCMICZIP-NSHDSACASA-N	300.805	3.149	10	20	DGCD	
CC[C@@H](NCc1c(O)nnc(C)c1C)c1cc(Cl)ccc1O	1320533431	JHIWBPVXVMNYGW-CQSZACIVSA-N	321.808	3.399	10	20	DGCD	
CCc1ncoc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1338687362	MJOQEXCEFUUEOH-UHFFFAOYSA-N	313.401	3.108	10	20	DGCD	
CC[C@@H](C)C[C@H](NCc1cc(Cl)cc(OC)c1O)C(=O)O	1594954325	XUQHDADMHXJFKP-SKDRFNHKSA-N	315.797	3.033	10	20	DGCD	
CCN1CCc2cc(CN[C@H](C)CCC[C@H](C)C(=O)O)ccc21	1776884678	HYNWAUSOMIPISV-LSDHHAIUSA-N	318.461	3.438	10	20	DGCD	
CCN(C)c1ccc(CN2CC3(CCC3)CC[C@H]2C(=O)O)cc1	1776855556	MLQGVRQMAVWOSP-KRWDZBQOSA-N	316.445	3.362	10	20	DGCD	
CN(C)C(=O)c1cccc(NCc2cccc(Cl)c2O)c1	158056776	CHMULVWJEWYKGJ-UHFFFAOYSA-N	304.777	3.360	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCc2ccc(F)cc2F)cc1	151958919	BJGRLEXSUDTTHF-UHFFFAOYSA-N	318.367	3.280	10	20	DGCD	
COc1cccc(CNC(=O)/C=C/c2ccc(Cl)cc2)c1O	155368632	RCRWLDJEJFFHCU-JXMROGBWSA-N	317.772	3.384	10	20	DGCD	
C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(N(C)C)c(F)c1	172120360	OMCCKULSNCMATJ-GFCCVEGCSA-N	310.413	3.102	10	20	DGCD	
COc1ccc(O)c(CN2CCN(c3ccccc3C)CC2)c1	179588281	QHCMTGCOTUKCSO-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)c2nc[nH]n2)c1C	176740167	BOWHIKJZIWBNES-CYBMUJFWSA-N	323.400	3.012	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)CSC	179957740	HQLMTRBUJFNWSE-AWEZNQCLSA-N	310.463	3.455	10	20	DGCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CCO1	1346406533	XVKZAZIEALRNFR-IRXDYDNUSA-N	319.449	3.052	10	20	DGCD	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(F)ccc1O	180253131	PPLWDIJIROWFRF-VERVWZFWSA-N	321.417	3.462	10	20	DGCD	
COc1cc(Cl)cc(CN(C)CCC2CCOCC2)c1O	184697627	GHAOQQRNFBVOCC-UHFFFAOYSA-N	313.825	3.303	10	20	DGCD	
CC(Cl)(Cl)C(=O)NCc1c(O)ccc2c1CCCC2	180738050	YZBOSVQONYSUDE-UHFFFAOYSA-N	302.201	3.081	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCCCC[C@@H]2C[C@@H](C)O)c1O	323673761	XHUVWLFQJKJCMI-MLGOLLRUSA-N	323.408	3.249	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@@H]1CCOC1	131194055	CTXFGHIDEYUMIP-CYBMUJFWSA-N	305.399	3.349	10	20	DGCD	
COc1ccnc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	89987120	VHAMCWWDPKDSHN-UHFFFAOYSA-N	322.368	3.145	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2[nH]ncc12	42059937	WRXYZZHNDUEQJF-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
Fc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F	237854655	LVOAGRDDHVNOQW-UHFFFAOYSA-N	304.340	3.414	10	20	DGCD	
O=C(NCc1ccccc1O)c1cccc(Br)c1F	236562861	ROQYEINAFPQYRA-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(Cl)cn1	255599605	SDGAEJWENYWWDN-CLTKARDFSA-N	308.168	3.460	10	20	DGCD	
Fc1cc(CNc2ncccc2Cl)ccc1N1CCOCC1	268025638	IYHAFHPZNXUQFK-UHFFFAOYSA-N	321.783	3.323	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2cncc(F)c2)C2CC2)cc1	268464421	VBKPBKNZLMVJNS-UHFFFAOYSA-N	313.376	3.092	10	20	DGCD	
C[C@@H](Cc1ccc(O)cc1)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273552659	GFPUKLYTUZCTDY-RYUDHWBXSA-N	316.357	3.288	10	20	DGCD	
Cc1ncc2c(n1)CC[C@@H](N[C@H](C)c1ccc(C)c(C)c1O)C2	363870555	XSUZVUGLSXWQGQ-CZUORRHYSA-N	311.429	3.316	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)C(C)(C)C)cc1F	277200694	GLLTUYYKOXNPDB-HNNXBMFYSA-N	310.413	3.261	10	20	DGCD	
CC[C@H](N[C@@H](CO)CCOC)c1cc(Cl)cc(Cl)c1O	286967840	IHYAUCCPKQEJGZ-MFKMUULPSA-N	322.232	3.137	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCC23CCOCC3)c1	282954480	ZITNCIJWLRFBKS-CXAGYDPISA-N	305.418	3.401	10	20	DGCD	
Oc1ccccc1CN(CCC1CCOCC1)C[C@H]1CCCO1	292889873	JCNCCUJFYGQMNE-GOSISDBHSA-N	319.445	3.190	10	20	DGCD	
OC[C@H]1C=C[C@@H](N(Cc2cccs2)Cc2ccccc2O)C1	809768833	YDWBOKFBFQJMFO-GOEBONIOSA-N	315.438	3.393	10	20	DGCD	
COc1ccc(O)c(CNc2cc(C(F)(F)F)nc(C)n2)c1	811805417	SGCNMVDJIVFCPE-UHFFFAOYSA-N	313.279	3.130	10	20	DGCD	
CCCN1C[C@H](CN[C@H](CC)c2ccc(N(C)C)cc2)CC1=O	817588447	FSNZPQSKPASHFT-MAUKXSAKSA-N	317.477	3.052	10	20	DGCD	
C[C@H](NC[C@H]1NCCc2ccccc21)c1cc(F)ccc1O	817973373	DSHGVEVXCYEIFZ-YVEFUNNKSA-N	300.377	3.069	10	20	DGCD	
CCCN(Cc1nc(C(=O)OC)cs1)Cc1ccccc1O	827938001	GMWAYHRFDCKBKN-UHFFFAOYSA-N	320.414	3.048	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cc(C(=O)OC)co1	726691637	HLQNBAHBDUOUBM-UHFFFAOYSA-N	316.401	3.154	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](C(=O)O)C1	829496557	IPKMVEYXNHXWBM-KGLIPLIRSA-N	319.401	3.022	10	20	DGCD	
C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(C)C	734532395	LQFWEFGUXCGWTF-LBPRGKRZSA-N	309.429	3.373	10	20	DGCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)[C@@H](O)c1cccc(F)c1	834676471	UXZFJPWUQALSPV-GEWABHDNSA-N	301.361	3.230	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](CC(=O)N(C)C)c2ccccc2)c1	733325753	WKEYJADDHMOFEU-KRWDZBQOSA-N	312.413	3.010	10	20	DGCD	
CCc1oc(C(=O)O)cc1CN[C@@H](C)c1cc(OC)ccc1O	833680949	RFNAVHWXOZGVHV-JTQLQIEISA-N	319.357	3.105	10	20	DGCD	
CN(C)c1ccc(C(=O)NCCCSc2nccs2)cc1	734358761	NAKDVXJEOWSRQN-UHFFFAOYSA-N	321.471	3.121	10	20	DGCD	
C[C@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(N2CCOCC2)cc1	734390265	QEOXETLSZYURBQ-CABCVRRESA-N	318.461	3.383	10	20	DGCD	
C/C(=C\C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1	839917829	ICGHWDMQKCCGML-GOFCXVBSSA-N	300.446	3.465	10	20	DGCD	
CCc1cccc(CN(C)Cc2nc(O)c3ccccc3n2)c1O	848877844	UNVYCEIFIPHUCW-UHFFFAOYSA-N	323.396	3.235	10	20	DGCD	
CCc1cccc(CN[C@H]2CCO[C@@]3(CCSC3)C2)c1O	848898406	BTBCOUOEEMRLIW-RDJZCZTQSA-N	307.459	3.099	10	20	DGCD	
C[C@@]1(c2nc(Cc3ccc(N)cc3)no2)CCc2ccccc21	843159720	AHDUIPTZCGBKOJ-LJQANCHMSA-N	305.381	3.495	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccnc(F)c2)cc1	748705452	JCSUGQHZLGBFOC-UHFFFAOYSA-N	315.392	3.339	10	20	DGCD	
CC[C@@H](C)C[C@H](CO)NC1CCN(c2ccc(OC)cc2)CC1	842756571	NYKWBPZPXGLLKE-NVXWUHKLSA-N	320.477	3.051	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCN3CCCC[C@@H]23)c1	848568358	GORKFSLGNMHBTB-XKQJLSEDSA-N	304.434	3.068	10	20	DGCD	
Cc1c(C(=O)NCc2cc(Cl)ccc2O)cnn1C(C)C	846474008	QBVIKNBWZGPWDY-UHFFFAOYSA-N	307.781	3.061	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCC1CCN(C2CC2)CC1	840940462	AEVMVPCXKAEWDR-UHFFFAOYSA-N	301.478	3.025	10	20	DGCD	
CN(C[C@@H]1CCC2(CCCC2)O1)c1ccc(OCC(=O)O)cc1	846279582	GXBFSRZBSUNCQY-INIZCTEOSA-N	319.401	3.078	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O	840120449	LLUDUPCSLAMMKR-QGTPRVQTSA-N	312.413	3.066	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1ccsc1	753639779	CQNWHCLAKAHEFV-GHMZBOCLSA-N	305.399	3.010	10	20	DGCD	
C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1cncc(F)c1	757638773	NKKVNQYWZALQSM-VHSXEESVSA-N	305.309	3.246	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cncn2C)c1	752953725	OUKLYZKKNHHAKZ-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCC2(c3ccccc3)CC2)c1	858107016	XXKSUTJISASMDA-UHFFFAOYSA-N	310.397	3.232	10	20	DGCD	
CCOCc1cc(CN[C@H]2C[C@@H](OC)C2(C)C)ccc1OC	753374163	QGJZEXFVNDQAIJ-DLBZAZTESA-N	307.434	3.135	10	20	DGCD	
CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	756985561	HLGJUPLCTBHZRH-DZGCQCFKSA-N	307.413	3.270	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@](C)(C2CC2)C(F)(F)F)c1	933565360	QSCQRIABFJTWOP-CQSZACIVSA-N	316.323	3.231	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCN(Cc2cccs2)CC1	768198285	RNPOCZUJQXVGNT-UHFFFAOYSA-N	322.861	3.425	10	20	DGCD	
CC(=O)Nc1ccc2c(c1)CN(Cc1ccc(C)cc1O)CC2	877817337	LVELGSUHKSERBU-UHFFFAOYSA-N	310.397	3.217	10	20	DGCD	
CC(C)[C@@H](NCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C	776258611	ZLARTKNXBPJTDH-MRXNPFEDSA-N	306.450	3.209	10	20	DGCD	
COCCOc1cc(NCc2ccc(C)cc2O)ccc1OC	876822914	QNBRBJOXGNBASW-UHFFFAOYSA-N	317.385	3.347	10	20	DGCD	
Cc1cc(C(=O)OCCc2ccoc2)c(C)n1-c1ccccn1	777379204	GZFNXWNUZLRWEK-UHFFFAOYSA-N	310.353	3.482	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N1c2ccccc2C[C@H]1C	775128393	ASEAHWLHCRWWMA-KFWWJZLASA-N	324.424	3.409	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(CCO)C2CCC2)cc1	784700359	SJUSVPZTJSZHNE-UHFFFAOYSA-N	312.413	3.081	10	20	DGCD	
CCC(=O)N(C)c1ccc(NCc2cc(OC)ccc2O)cc1	895621622	ADGVVPFBKWYTLU-UHFFFAOYSA-N	314.385	3.386	10	20	DGCD	
Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)O2	792850706	YOXRRCNZMORDSU-IBGZPJMESA-N	324.424	3.071	10	20	DGCD	
CC[C@H](Nc1cccc(C(N)=O)c1OC)c1ccc(F)cc1O	796935912	HTGBJKJJSWNXLA-ZDUSSCGKSA-N	318.348	3.202	10	20	DGCD	
CC(C)[C@H]1C[C@@H](NCc2c(O)ccc(Cl)c2F)CCO1	790982729	XNACOSFLAXEYFG-IINYFYTJSA-N	301.789	3.478	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc(C[S@@](C)=O)cc2)c1	797134486	SQCXCIOQAGSUQW-JLCFBVMHSA-N	317.454	3.430	10	20	DGCD	
CC[C@@H](C)CC[C@H](O)CC(=O)NCc1ccc(N(C)C)cc1C	793517955	YLBUCLWAVRSDPW-KDOFPFPSSA-N	320.477	3.255	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cnc(Cl)cn1	799149633	RYJSLAKVZZYKFH-UHFFFAOYSA-N	303.793	3.482	10	20	DGCD	
COc1ccc(CN[C@@H]2CCN(C(=O)C=C(C)C)[C@@H]2C)cc1C	985919221	CLRMCYOZBIXQLH-NVXWUHKLSA-N	316.445	3.049	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ncc(Cl)s1	1321018833	YDQLRAGYIAQCOU-UHFFFAOYSA-N	309.822	3.101	10	20	DGCD	
Cc1cc(O)c(CNCCC(=O)N2CCC[C@@H](C)C2)cc1Cl	1347390914	HQDGHETXAXKAQZ-GFCCVEGCSA-N	324.852	3.092	10	20	DGCD	
Nc1ccc(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1	1352789009	UAFGRYZNCPNVST-QGZVFWFLSA-N	304.340	3.121	10	20	DGCD	
CN1CCCN(C(=O)c2cccc3c2CCN3)c2ccccc21	1357413072	GLZKCUKHGDTZNY-UHFFFAOYSA-N	307.397	3.141	10	20	DGCD	
CCOc1cccc(CN(CC2CC2)[C@@](C)(CC)C(=O)O)c1O	1610045495	SEBKSWZVRWRUEG-SFHVURJKSA-N	321.417	3.256	10	20	DGCD	
Cc1ccccc1[C@H](N)C(=O)NCc1c(O)ccc2ccccc12	1579793670	LAORLHPJPQLPOP-IBGZPJMESA-N	320.392	3.170	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCC[C@@H]1CCCNCC1	1580887735	GKFSWVWBTSHOIN-QGZVFWFLSA-N	301.478	3.156	10	20	DGCD	
Nc1ccc(OC(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1	1580449957	YKUHFEMFKAZTAM-UHFFFAOYSA-N	324.380	3.114	10	20	DGCD	
COc1cc(CN(C)c2ccc(OCC(=O)O)cc2)ccc1C	1599404984	IIPBSDLSVAPPRX-UHFFFAOYSA-N	315.369	3.103	10	20	DGCD	
C[C@@H](NCCCN1CCCC[C@H]1C)c1cc(C(=O)O)ccc1O	1593267701	RAPALNWJVLTPSJ-ZIAGYGMSSA-N	320.433	3.006	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H](C)[C@H]3C[C@@H]3C(=O)O)cc2)CC1	1594434227	HMJGOMTZLCZBBR-OLMNPRSZSA-N	316.445	3.122	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(C)c2)c1	103507810	UFEWCBCAZRBYOU-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
CCN(CC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	108583688	HZHUSYKMBPGFDT-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
C[C@H]1CN(C(=O)c2cn(C)nc2-c2cccnc2)c2ccccc21	65868035	MBZMXOQABWNNOG-ZDUSSCGKSA-N	318.380	3.246	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)C[C@@H]3CCOC3)c2c1	176101727	ZODTXXWNRKVKJX-ZDUSSCGKSA-N	301.386	3.022	10	20	DGCD	
CC[C@@H]1CN(Cc2cccc(Br)c2O)CCCO1	305961581	PBSHMNPLLZSHCA-GFCCVEGCSA-N	314.223	3.156	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1	171404511	RFPJZKOWOUHBQV-UHFFFAOYSA-N	302.805	3.265	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c(O)c1O	179465841	RDKVVFFIRAKZCQ-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
Cc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ccc1F	31728224	KVFXWJYCCJNDAT-UHFFFAOYSA-N	315.392	3.200	10	20	DGCD	
COc1cc(NC(=O)c2cccc(O)c2O)c(OC)cc1Cl	317922183	WTACLMLHRUHXKC-UHFFFAOYSA-N	323.732	3.021	10	20	DGCD	
Cc1cccc(CN[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1O	224867775	NTLBPRHERMDDCV-HNNXBMFYSA-N	320.433	3.094	10	20	DGCD	
C=Cn1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)cn1	194520130	BPQQFUQRDZBXEH-RIYZIHGNSA-N	310.382	3.374	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2conc2C(C)C)c1	528860105	JFWLRAFPCGACHG-JTQLQIEISA-N	304.346	3.003	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc(-n3ccnc3)nc2)c1	363853944	LFFDFASGSTXYKI-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CCO3)c1	273547806	ZQZFEVKSVQXDEQ-LLVKDONJSA-N	313.353	3.287	10	20	DGCD	
C[C@H](NCCc1ccncc1)c1ccc(Br)cc1O	273605138	TVUWZBRRCJOLFQ-NSHDSACASA-N	321.218	3.443	10	20	DGCD	
CC[C@H](N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1O	364345481	DCXLYIHURGBLGO-OKZBNKHCSA-N	318.461	3.076	10	20	DGCD	
CC(C)C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCO1	272049060	DQCJPIZISVRQQE-HZPDHXFCSA-N	320.433	3.127	10	20	DGCD	
CCN1CCC(N[C@H](C)c2cc3c(cc2O)CCCC3)CC1	273387056	JTQCQEQAWYXPEX-CQSZACIVSA-N	302.462	3.406	10	20	DGCD	
COC(C)(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	278378502	HJAMBMYYHBUUQT-UHFFFAOYSA-N	304.434	3.059	10	20	DGCD	
O=C(O)c1coc(CNCc2ccc(N3CCCCC3)cc2)c1	277007784	MJIMGJIEIVWLLL-UHFFFAOYSA-N	314.385	3.258	10	20	DGCD	
Cc1ccc2c(c1)CCN2Cc1cn(C)nc1-c1cccnc1	272504849	HWOVDGRTIRXMRG-UHFFFAOYSA-N	304.397	3.353	10	20	DGCD	
Cc1noc([C@@H]2CCCN2Cc2ccc(N(C)C)c(C)c2)n1	293635709	RJSAFRRFAOTFON-INIZCTEOSA-N	300.406	3.090	10	20	DGCD	
CCOc1ccc(O)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1	290945806	QGGQPZYWUPMDJR-CQSZACIVSA-N	321.808	3.088	10	20	DGCD	
CCSCCCNCc1c(O)cccc1Br	706880632	ATUFYWYXQMKELT-UHFFFAOYSA-N	304.253	3.388	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1C[C@H]2CC[C@H]1C2	298610407	GSEKVHDHNFMPEX-HOSILWTGSA-N	302.418	3.358	10	20	DGCD	
Cc1c(CNC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)n(C)c2ccccc12	472284912	MVMISWXUZUMKGB-HUUCEWRRSA-N	311.429	3.284	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NC1CCC1	814194257	QRTWDRCZYAMTED-UHFFFAOYSA-N	305.491	3.390	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@H](C)COC)cc1	812477472	PJCUNCLJGJCKCP-CABCVRRESA-N	306.450	3.068	10	20	DGCD	
C[C@H](NC1COC(C)(C)OC1)c1cccc(C(F)(F)F)c1O	815616764	XNILIYRSQQSMEW-VIFPVBQESA-N	319.323	3.213	10	20	DGCD	
CC[C@H](NCc1ccc(OC)nc1OC)c1ccc(F)cc1O	810260525	LGIFSROCSYMRIP-AWEZNQCLSA-N	320.364	3.184	10	20	DGCD	
CO[C@](C)(C(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1	812486083	CYJCWGKODJZBQU-IBGZPJMESA-N	316.445	3.108	10	20	DGCD	
C[C@@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1	813875185	IGPGVLIFSZUHOG-YEWFCNIMSA-N	302.462	3.344	10	20	DGCD	
CO[C@@](C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1	812575840	ORBITKYFJODUBS-CQSZACIVSA-N	318.200	3.130	10	20	DGCD	
COc1cccc([C@@H](O)CNCc2ccc3ccccc3c2O)c1	816550704	YWSPVPCEDDGWSW-IBGZPJMESA-N	323.392	3.377	10	20	DGCD	
C[C@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1O	724927927	YHOJPXKCGLTMBD-WCQYABFASA-N	324.396	3.191	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N(C)c2cnc3ccccc3n2)s1	493803523	OYXUXNZVEMSGAV-BQYQJAHWSA-N	310.382	3.071	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NOCC2CCC2)C2CC2)cc1	824032381	IJVISQHTSDBSAR-UHFFFAOYSA-N	317.433	3.158	10	20	DGCD	
CCc1cccc(CNCC2CCN(CC3CC3)CC2)c1O	827844741	NSDPWGYBWMBTDS-UHFFFAOYSA-N	302.462	3.166	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1C[C@H]2CCCN2c2ccccc21	490577088	PLBABMACTPKIBC-ZNFPLGDCSA-N	305.381	3.110	10	20	DGCD	
Cc1cc(C)c2c(c1)CN(C(=O)c1c(F)ccc(O)c1O)CC2	828959571	NIWZGNHGAJSINQ-UHFFFAOYSA-N	315.344	3.052	10	20	DGCD	
COC1CCN(c2ccc(CN3C4CCC3CC4)cc2)CC1	827395406	IRDADAGPWBBNED-UHFFFAOYSA-N	300.446	3.429	10	20	DGCD	
CC(C)[C@@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CCO1	904504722	SBWHEMGJRHJOPF-HIFRSBDPSA-N	301.390	3.161	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1C1CC1	734687393	YFOFWTKAYLSTGH-QGZVFWFLSA-N	301.434	3.145	10	20	DGCD	
CC[C@H](N[C@@H](C)Cc1cnn(C)c1)c1cc(Cl)ccc1O	834895947	FROBXCYKNKOHQS-NHYWBVRUSA-N	307.825	3.451	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC(OCC(F)F)C1	839138282	OTYJOYKZVRHALM-UHFFFAOYSA-N	312.143	3.165	10	20	DGCD	
CCN(CC)c1ccc(CNCC[C@@H]2CCCN(C)C2)cc1	839182146	LDCNNMVTALGMEH-SFHVURJKSA-N	303.494	3.354	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)CC(=O)O)cc1	738578292	CGLVLWLKRZMWQQ-UHFFFAOYSA-N	314.385	3.077	10	20	DGCD	
CCOc1ccc(N(CC)Cc2ccc(S(C)(=O)=O)o2)cc1	839515139	PHPZHHMVDYUYMM-UHFFFAOYSA-N	323.414	3.108	10	20	DGCD	
Cc1cc(C(=O)N=S(C)(C)=O)c(C)n1-c1ccc(F)cc1	913647264	JFUBAVKFSMQDGW-UHFFFAOYSA-N	308.378	3.101	10	20	DGCD	
COc1ccccc1OCCCN[C@H]1CCc2cccc(O)c21	834566747	RNVXRWLXIZPMNO-HNNXBMFYSA-N	313.397	3.447	10	20	DGCD	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCCc1ccc(N)cc1	841961032	ZIQHNYBROYIVEL-UNEWFSDZSA-N	301.434	3.174	10	20	DGCD	
CCc1cccc(CN[C@H](C)c2noc(COC(C)C)n2)c1O	848913246	SKAWDTKJJRYPLJ-GFCCVEGCSA-N	319.405	3.113	10	20	DGCD	
CO[C@@H](CNCc1cccc(Br)c1O)CC(C)C	841888990	WEJHPQAKOGPEPX-GFCCVEGCSA-N	316.239	3.305	10	20	DGCD	
CCN(CC)c1ccc(CNCC(C)(C)CN(C)C)cc1F	740002021	KXLJHGNZRMWNLA-UHFFFAOYSA-N	309.473	3.349	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](CO)[C@H]2C)cc1F	840977885	KWIFZQZREAYEGY-ZBFHGGJFSA-N	308.441	3.265	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1cc2c([nH]1)CCCC2	846475238	AOEQKNQDXFHCTK-UHFFFAOYSA-N	304.777	3.183	10	20	DGCD	
CNCc1ccccc1CNCc1c(O)ccc(Cl)c1F	844905461	ZVSBXGHPOHZMMJ-UHFFFAOYSA-N	308.784	3.194	10	20	DGCD	
CCOC1CC2(CCN(Cc3ccc(N(C)C)cc3C)C2)C1	840947075	KWWUUGSBQGVONA-UHFFFAOYSA-N	302.462	3.452	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)c1	858373119	YSVLIROVKIFPOJ-NVXWUHKLSA-N	320.433	3.094	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1C[C@@H]1C1CC1	751306036	OPGZCXXLYIHWAY-KGLIPLIRSA-N	318.380	3.381	10	20	DGCD	
C[C@H](NCc1ncccn1)c1ccc(N2CCCCC2)c(F)c1	850551398	HTYGMIRPJUWRKX-AWEZNQCLSA-N	314.408	3.457	10	20	DGCD	
CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N[C@H](C)c1ccccc1O	868516450	IIOXAAYWRDRPBI-UKPHBRMFSA-N	320.433	3.346	10	20	DGCD	
Nc1ccc(Cc2noc([C@@H]3[C@H]4Cc5ccccc5[C@@H]43)n2)cc1	863655644	HBNXKCOJWYGYMS-RYQLBKOJSA-N	303.365	3.296	10	20	DGCD	
CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@@H](C)O	863940952	RFODZNXTXFGOQG-CRAIPNDOSA-N	314.429	3.117	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1O	769498590	MGTOGTAVNRPRIX-CQSZACIVSA-N	321.417	3.097	10	20	DGCD	
Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)sn1	775657074	FQUSVERDPOPJAS-LLVKDONJSA-N	304.419	3.400	10	20	DGCD	
CC(C)(C)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(F)(F)F	779525777	RTDMYVMNBMFVTN-SCXUMTSISA-N	317.307	3.204	10	20	DGCD	
CCOc1ccc2c(c1)[C@@H](NC(=O)c1cc(O)cs1)CCO2	776270043	OTSNURKBIATRPB-ZDUSSCGKSA-N	319.382	3.106	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@H]3c3ccc[nH]3)cc2)CC1	775630584	MHSAWJHTKRBFJB-FQEVSTJZSA-N	324.472	3.104	10	20	DGCD	
CC(C)(C(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1F	884028914	WCMXIRZBNFETEM-UHFFFAOYSA-N	318.367	3.184	10	20	DGCD	
COc1ccc(CN(CCO)Cc2c(O)cccc2Cl)cc1	895709717	CKDZGIXXALCHNG-UHFFFAOYSA-N	321.804	3.049	10	20	DGCD	
COc1cc(C)cc(CNCC[C@H](C)N2CCCCC2)c1O	894445930	QXBCKVSYLASNOI-HNNXBMFYSA-N	306.450	3.063	10	20	DGCD	
O=C(NCCc1ccccc1OC(F)F)c1cc(O)cs1	788590576	BHFAFADVEFNPHZ-UHFFFAOYSA-N	313.325	3.028	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](OC)c2ccccc2)c1O	894199826	QWJPWXUFNNWYDU-KRWDZBQOSA-N	301.386	3.187	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc2oc(=O)oc2c1	893864780	ZXALVGHVGNFFFB-UHFFFAOYSA-N	312.369	3.084	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1O	897679198	IOGSWLONCUSLQQ-KBXCAEBGSA-N	316.470	3.197	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)COC2CCC(C)CC2)c1	793687712	AKUQRDQHEGYHGW-MOKVOYLWSA-N	321.417	3.173	10	20	DGCD	
Oc1ccc(Cl)cc1CNCCc1ccc2c[nH]nc2c1	790617578	AFEQNMGWEDRIGD-UHFFFAOYSA-N	301.777	3.254	10	20	DGCD	
CCCN(Cc1ccc(OC)cc1)C(=O)c1cccc(O)c1O	790522930	LXSINFKPXIUAIE-UHFFFAOYSA-N	315.369	3.159	10	20	DGCD	
O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc(O)c1O	790618798	WHMPCVKGLYRFEA-UHFFFAOYSA-N	315.344	3.089	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089817079	HUHFXLGVYBAEPQ-CQSZACIVSA-N	319.424	3.300	10	20	DGCD	
C[C@H](C[C@H](O)c1ccco1)NCc1ccc(N2CCCC2)cc1	1319831336	VDFKPJOFJJTFEQ-QAPCUYQASA-N	314.429	3.482	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(N2CCCC2)cc1)CC(C)C	1319810289	GAJPAJPZBQXEFY-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21	1323875987	DKNWHUZCPQABSS-TTZDDIAXSA-N	305.418	3.033	10	20	DGCD	
Cc1nc([C@H](C)NCc2cc(Cl)cc(Cl)c2O)no1	1329848668	JAMGGEKJFOFWNW-LURJTMIESA-N	302.161	3.241	10	20	DGCD	
COC[C@@H](C)n1ccc(NCc2ccc(N3CCCC3)cc2)n1	1255272794	LCEWAZTXOGNQTO-OAHLLOKOSA-N	314.433	3.303	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1cccc(O)c1	1345965147	SUQXJJFHJWGELK-UHFFFAOYSA-N	312.413	3.016	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@H](C(=O)O)c2ccccc2F)c1O	1600218889	DZGICPIRHGIUNS-AWEZNQCLSA-N	323.751	3.409	10	20	DGCD	
CCc1ccccc1NC(=S)NCCc1ccc(O)c(O)c1	18918622	OXZAEMBCEMHRTA-UHFFFAOYSA-N	316.426	3.189	10	20	DGCD	
Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)cc1F	109770799	BFRPLHGZCQTAIK-ZDUSSCGKSA-N	316.376	3.299	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H](N3CCCC3)C2)c1	170729198	ADXALNQFJLXNGU-INIZCTEOSA-N	318.461	3.065	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(-n3cccc3)cc2)c1O	68488486	YEVSWIXBSTVMLK-UHFFFAOYSA-N	322.364	3.122	10	20	DGCD	
CC(C)N(C(=O)CN(C)Cc1ccccc1O)C1CCCC1	111235207	AADMDLLELLNBMX-UHFFFAOYSA-N	304.434	3.004	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1	114599545	PAMLVYSFKQWLRC-LALPHHSUSA-N	306.406	3.025	10	20	DGCD	
CC[C@H](NC[C@@H](O)C(C)C)c1cc(Br)ccc1O	119221092	HTLSLIHKYOKELC-GXTWGEPZSA-N	316.239	3.212	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccoc1	178536532	OMDOBFSDBLMOCE-ZDUSSCGKSA-N	318.392	3.231	10	20	DGCD	
CNC(=O)c1ccc(NCc2c(O)cccc2Cl)c(C)c1	127294951	JQAJJPNQUYMDCO-UHFFFAOYSA-N	304.777	3.326	10	20	DGCD	
CC[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1	126059888	SAOYEQVDTKLEGC-ZWKOTPCHSA-N	311.429	3.020	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1ncccc1Cl	78256926	RDQULAUABRPQPF-UHFFFAOYSA-N	317.820	3.208	10	20	DGCD	
CCS[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	180847504	RMWRRTTUYUTRDN-XCUOTZKBSA-N	321.442	3.292	10	20	DGCD	
CCc1ccc([C@@H]2COCCN2Cc2cc(OC)ccc2O)o1	180289520	AEWQMRMZJLUMOT-INIZCTEOSA-N	317.385	3.130	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2coc(-c3ccccc3)n2)cc1	78041066	CZFFFFGZAQXLQU-UHFFFAOYSA-N	321.380	3.338	10	20	DGCD	
CN1CCC[C@@H]1CCN(Cc1ccco1)Cc1ccccc1O	128379268	IYRJCENYOGDHKR-QGZVFWFLSA-N	314.429	3.472	10	20	DGCD	
Cc1nn(C)c(C)c1CN[C@@H](C)c1cc2c(cc1O)CCCC2	185277066	UMAWYLMNXXHWEO-LBPRGKRZSA-N	313.445	3.472	10	20	DGCD	
CCOC(=O)N1CC[C@H](N[C@H](CC)c2ccc(N(C)C)cc2)C1	186452661	HMGFAFKMNBAYSE-DOTOQJQBSA-N	319.449	3.024	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCNC(=O)OC(C)(C)C)cc1	132850960	PQBXBQVXTIBHBI-CQSZACIVSA-N	321.465	3.318	10	20	DGCD	
O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(Cl)ccc1O	227229600	SZTXMRWUXIJTJZ-SWHYSGLUSA-N	309.793	3.263	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1[C@H]2CCc3ccccc3[C@@H]21	130683292	XBZAUOYMKZOTHC-WDSOQIARSA-N	322.408	3.262	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)CCc2ccc(O)cc2)c1	237206069	YGBINVZWLLRZDG-CYBMUJFWSA-N	301.386	3.217	10	20	DGCD	
CCO[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C12CCCCC2	236983221	VRQVVAZDYYZDHC-IRXDYDNUSA-N	316.445	3.055	10	20	DGCD	
Cc1c(CNc2ncn(-c3ccccc3)n2)n(C)c2ccccc12	352535344	PKXQPJSZECZEMX-UHFFFAOYSA-N	317.396	3.680	10	20	DGCD	
Cc1nc(CCN[C@H](C)c2cc(Cl)c(Cl)cc2O)n[nH]1	278637086	HHQFMZMPQDGKRV-SSDOTTSWSA-N	315.204	3.019	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCCOCC2)c1C	363127100	UGWFTAYTDMDUKA-UHFFFAOYSA-N	312.413	3.265	10	20	DGCD	
CC(=O)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1	289624129	LVBYPHIOEIFZPO-UHFFFAOYSA-N	318.398	3.284	10	20	DGCD	
Oc1ccccc1CN(CCc1cscn1)C[C@@H]1CCCO1	283892740	JCIONJVPEHVSQR-INIZCTEOSA-N	318.442	3.072	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(C(C)C)nc2C)c1O	293716605	OACQIVRBIXTHGP-UHFFFAOYSA-N	314.385	3.158	10	20	DGCD	
CN(Cc1ccc2c(c1)CCN2Cc1ccccc1)CC(C)(C)O	809575909	GCORVOQRQRCYIQ-UHFFFAOYSA-N	324.468	3.452	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCOC1CCC1	802208218	CYFVCNOWBYCIRK-UHFFFAOYSA-N	320.433	3.273	10	20	DGCD	
Oc1c(CN2CC[C@@H](CN3CCCC3)C2)ccc2ccccc12	816514975	LVUYWXOXJMILHD-INIZCTEOSA-N	310.441	3.463	10	20	DGCD	
CC[C@H](NCCNC1CC1)c1cc(Cl)cc(Cl)c1O	817952125	CCLRGEZCEGBZIG-ZDUSSCGKSA-N	303.233	3.492	10	20	DGCD	
CCO[C@H](C)c1ncc(C(=O)N[C@H](C)c2ccccc2O)s1	827937153	MCGVLCZXNNOVOZ-GHMZBOCLSA-N	320.414	3.437	10	20	DGCD	
CCc1cccc(CNc2nn(CCCOC)cc2C)c1O	826686650	NKHDWEXQVYIKOD-UHFFFAOYSA-N	303.406	3.108	10	20	DGCD	
CCOc1ccc(CNC2(CC(=O)O)CCCCC2)c(O)c1	830075451	VUIAAADIOHBJSW-UHFFFAOYSA-N	307.390	3.058	10	20	DGCD	
Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(O)cs2)c1C	732353996	MSQQTUDUNHOCDV-LLVKDONJSA-N	319.382	3.255	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2csnn2)cc1F	840969803	KHVQTQZBPMTQBK-NSHDSACASA-N	308.426	3.374	10	20	DGCD	
COc1cccc([C@H](C)NC[C@](C)(O)c2ccc(F)cc2)c1O	846156238	CVBFDYJXEMLEHF-SGTLLEGYSA-N	319.376	3.098	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)C[C@H](C)N)c2C)c1	843504272	PBYRAVYPHRDAFD-KBPBESRZSA-N	313.445	3.258	10	20	DGCD	
CN(Cc1ncc(C(C)(C)C)o1)c1ccc(OCC(=O)O)cc1	846280004	SARMBXAGOHSWDW-UHFFFAOYSA-N	318.373	3.072	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1CN	841100274	AQYPQJARHGPTTP-SJLPKXTDSA-N	301.478	3.094	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)[C@H](O)c2ccc(C)cc2)c1O	846168460	CYMSWYSGYKEOFS-DEYYWGMASA-N	315.413	3.482	10	20	DGCD	
Cc1ccc(Cl)c(OC[C@H](O)CN(C)c2ccc(N)cc2)c1	923400757	OBQFTCZVUZBNJU-OAHLLOKOSA-N	320.820	3.107	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCCC3(CC3)C2)c([N+](=O)[O-])c1	844214613	RXFQSNWJTKFRMV-HWKANZROSA-N	302.330	3.073	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3ncccc3OC)C2)cc1	858582185	NXVFYQNQWHEZPT-CQSZACIVSA-N	313.401	3.037	10	20	DGCD	
CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	756985566	HLGJUPLCTBHZRH-UKRRQHHQSA-N	307.413	3.270	10	20	DGCD	
C[C@H](NC[C@H](O)CCc1ccccc1)c1cc(F)cc(F)c1O	757666396	SOWPLMMIBLGXDD-SWLSCSKDSA-N	321.367	3.315	10	20	DGCD	
C[C@H](c1ccncc1)N(C)Cc1ccc(N2CCN(C)CC2)cc1	757881356	FYSHCGXJGOUGJF-QGZVFWFLSA-N	324.472	3.026	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(C)cc1O	850503744	YTEHHWVWKVJTIB-OAJLEGQYSA-N	309.475	3.431	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)c1	860240514	AXRQEXINMWODND-COAODMOZSA-N	323.392	3.164	10	20	DGCD	
C/C=C(/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)CC	764528227	PSTYIUNMYCJHBB-LEHCCGNRSA-N	314.429	3.256	10	20	DGCD	
COC(=O)c1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1	863987883	NZNKEWWFEVDMAY-UHFFFAOYSA-N	320.339	3.430	10	20	DGCD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1ccccc1O	866754743	DDAYJDAWGSCXPZ-ZDUSSCGKSA-N	301.361	3.416	10	20	DGCD	
CC(C)N(Cc1ccc(N2CCN(C)CC2)c(F)c1)CC1CC1	1116441636	LCLXSTDLJJFTQU-UHFFFAOYSA-N	319.468	3.198	10	20	DGCD	
C[C@@H](C1CC1)n1cc(NC(=O)N[C@H](C)c2ccccc2O)cn1	879296244	IKWWUNGDHRQPSL-NEPJUHHUSA-N	314.389	3.442	10	20	DGCD	
Nc1ccc(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)cc1	876504853	ZALKSXKKZNMZLS-UHFFFAOYSA-N	324.306	3.073	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCCC2OCCO2)cc1	768509137	HDNNUKOZALXDAX-UHFFFAOYSA-N	315.369	3.014	10	20	DGCD	
CCOC(=O)COc1cccc(NCc2ccc(C)cc2O)c1	877169189	JEPYNFLBYHKYMT-UHFFFAOYSA-N	315.369	3.255	10	20	DGCD	
CC[C@H](NCc1nnc2n1CCCC2)c1cc(Cl)ccc1O	775551217	JNYNKGCGGXJFDU-ZDUSSCGKSA-N	320.824	3.214	10	20	DGCD	
Cc1cccc(O)c1CNCc1ccc(N2CCCCC2)nc1	876935694	FTNFLWQPWVQFLQ-UHFFFAOYSA-N	311.429	3.376	10	20	DGCD	
CC(C)N(C(=O)CN[C@H](C)c1ccccc1O)c1ccccc1	879647441	CJAXQROUOKCSKR-OAHLLOKOSA-N	312.413	3.484	10	20	DGCD	
COc1cccc(O)c1CNCCc1ccccc1OC(F)F	788076583	OXPAELWJTXWUOE-UHFFFAOYSA-N	323.339	3.335	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@H]1C	894044002	HPYDSVDCAQGCFT-GDBMZVCRSA-N	306.450	3.014	10	20	DGCD	
COc1cccc(CNC(=O)Cc2cccc(C(F)F)c2)c1O	790632484	NUJIWZHWEUPQBP-UHFFFAOYSA-N	321.323	3.197	10	20	DGCD	
COc1ccc(CNC(=O)CCCc2sccc2C)c(O)c1	794390648	NJARWXWULKIURT-UHFFFAOYSA-N	319.426	3.410	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(F)c(C)c2)c(O)c1	797623073	HPRCYUUSCGHTGC-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
COC(=O)Nc1cccc(NCc2cccc(OC)c2O)c1C	797881383	VUSWICFGWKKFAF-UHFFFAOYSA-N	316.357	3.500	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC2CCCCCC2)c1	103594676	KNZIYRVBXIONHA-LBPRGKRZSA-N	306.406	3.484	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cc(C)ccc2C)c1O	104968752	ZDBIBBBRWGXKBX-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
Oc1cc2c(cc1CNCCCc1c[nH]c3ccccc13)OCO2	107714362	QNPPLDMGILIFPB-UHFFFAOYSA-N	324.380	3.325	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](C)Cn2ccnc2C)cc1	105443462	SUELZJCHNPSCML-INIZCTEOSA-N	314.477	3.464	10	20	DGCD	
CCS[C@@H]1CCCCN(C(=O)c2ccc(C)c(O)c2O)C1	177685481	HOTXOXVLYYYSML-GFCCVEGCSA-N	309.431	3.154	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCCO1	119017719	IBDHKVQBWPAJEF-GOSISDBHSA-N	316.445	3.204	10	20	DGCD	
CCc1ccc(CC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1	173131009	KDFSGWPJLUFYGL-CYBMUJFWSA-N	313.397	3.383	10	20	DGCD	
CSC[C@@H](CCO)N[C@H](C)c1ccc(N2CCCCC2)cc1	305102985	AMUQJBJBBAJHIR-NVXWUHKLSA-N	322.518	3.442	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC=C(Cl)C2)c([N+](=O)[O-])c1	404413761	XDSJRIFVUIYSGK-GQCTYLIASA-N	308.721	3.025	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@H](C)c2ccccn2)c1O	181789519	HCLOICKHWGZWEN-SNVBAGLBSA-N	304.777	3.494	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@@H](C)c2ccccc2O)cc1	183568964	SRWVAQSFTSHIFW-GUYCJALGSA-N	301.386	3.175	10	20	DGCD	
Cc1ccc2c(c1)OCCN2C(=O)/C=C/c1scnc1C	186580788	BGQGGQQYAVUMGM-AATRIKPKSA-N	300.383	3.199	10	20	DGCD	
C[C@H](NC[C@]1(O)CCSC1)c1ccc2ccccc2c1O	185638786	ZVLJLEAKPVHWOJ-YVEFUNNKSA-N	303.427	3.064	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2ccc(C)cc2)cc1F	121834025	NOAOUHZAPNEHPS-UHFFFAOYSA-N	302.349	3.218	10	20	DGCD	
COc1c(C)cc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1C	182476168	CKNUMPIKQZZBEN-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1ncon1	182539310	NZYXQQVCWHCIKC-LLVKDONJSA-N	316.386	3.030	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C(F)(F)c2ccccc2)cc1	47296467	LDFNCCDQZWTAEE-UHFFFAOYSA-N	304.340	3.161	10	20	DGCD	
Cc1cccc2c(CCC(=O)NCc3ccc(O)c(O)c3)c[nH]c12	130005425	KNTPPFNSPTZAOU-UHFFFAOYSA-N	324.380	3.137	10	20	DGCD	
COc1ccc(N(C)CCCOCC(F)(F)F)c(OC)c1	132252339	OCNBJQHBUTWULP-UHFFFAOYSA-N	307.312	3.109	10	20	DGCD	
Cc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc(N)cc2)s1	237407426	WAWMHEVCPZQHJY-LLVKDONJSA-N	303.431	3.104	10	20	DGCD	
COc1ccccc1[C@H]1CCCN1C(=O)Cc1ccc(N)cc1	237291783	BAVQZNUCEKTMDC-QGZVFWFLSA-N	310.397	3.184	10	20	DGCD	
CC[C@@H](NCC1(C)COC1)c1cc(Br)ccc1O	94721789	QGJUOTRFUVSTBE-GFCCVEGCSA-N	314.223	3.232	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1O	246550741	YPSFFKJFFRIPSM-ABHRYQDASA-N	318.417	3.025	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	269896295	DNGCHOZMEINEGH-QRVBRYPASA-N	312.457	3.334	10	20	DGCD	
Nc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cc2)cc1	269145302	CNOFUNYOBLQCOZ-UHFFFAOYSA-N	323.440	3.232	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@H](CO)C(C)C)c1O	275368107	UZQXQBGZTLBYDF-GXFFZTMASA-N	316.239	3.131	10	20	DGCD	
C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1O	273391149	KSHUKPZTAWYEMM-LBPRGKRZSA-N	316.376	3.084	10	20	DGCD	
COC[C@H](CN[C@@H](C)c1ccc(Cl)c(Cl)c1O)OC	273455812	PLUFLNBCGVPDSK-IUCAKERBSA-N	308.205	3.011	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCC(F)(F)F	283026632	PWLMSKLJEGCQBY-UHFFFAOYSA-N	304.312	3.266	10	20	DGCD	
CC(C)=CCNC(=O)NCc1cc(Cl)cc(Cl)c1O	805336073	CZXIAJGYXUMXBJ-UHFFFAOYSA-N	303.189	3.464	10	20	DGCD	
CC[C@H](CN[C@@H](C)c1cc(Br)ccc1O)OC	290184479	NTZHRQCVXZWCEX-GXSJLCMTSA-N	302.212	3.230	10	20	DGCD	
COc1cccc(CNCc2c(O)ccc(Cl)c2F)c1O	809739758	DHMNLUDBEYEGRB-UHFFFAOYSA-N	311.740	3.189	10	20	DGCD	
CNCCc1ccccc1C(=O)N1CCCc2cc(C)ccc21	391446403	HYRSHICHOJXTJD-UHFFFAOYSA-N	308.425	3.350	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC3CCC2CC3)c1	815835207	NBTWCMVEAVYRIT-NEQJSVFRSA-N	303.402	3.404	10	20	DGCD	
CC[C@H](CNC(=O)c1sccc1-n1c(C)ccc1C)OC	812367573	GVHQXYDQLDLRGE-CYBMUJFWSA-N	306.431	3.310	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCC1(F)F	811512127	DQEWURZJJPLOBU-AWEZNQCLSA-N	310.388	3.000	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(C)=O)s2)c1	728979007	AZZUOHTUULOVQX-SECBINFHSA-N	319.382	3.156	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)ccc1F	728820387	MXBAGKRDPFVPAZ-UHFFFAOYSA-N	312.388	3.447	10	20	DGCD	
Cc1cc(O)c(CN[C@H](CO)c2cccc(F)c2)cc1Cl	825278958	QMNQAYPXFQEHGW-OAHLLOKOSA-N	309.768	3.316	10	20	DGCD	
C/C(=C\CN(C)Cc1ccc(N2CCCCC2)cc1)C(=O)O	825730517	YFDKJLSQPPHYOW-XNTDXEJSSA-N	302.418	3.140	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2ncccc2c1	588403629	RLJVQUHPRILFOW-YWEYNIOJSA-N	306.321	3.298	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1cccc(F)c1)c1ccc(F)cc1O	903307755	FANQGEYSOALKET-APPDUMDISA-N	307.340	3.229	10	20	DGCD	
S=C(NNc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2	735233815	RCEAVQHTEIVZLI-UHFFFAOYSA-N	321.789	3.382	10	20	DGCD	
CCC[C@](C)(N)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	904930250	HEZLJTMWRGAGDL-SFHVURJKSA-N	305.466	3.007	10	20	DGCD	
CC[C@@H](N[C@@H](C)CC(=O)NC)c1cc(Cl)cc(Cl)c1O	834901566	WASNRZSGGUGERC-QPUJVOFHSA-N	319.232	3.264	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@H]1CCCC[C@@H]1C	734406242	OFIQJAGJZWVLPO-KSSFIOAISA-N	318.461	3.273	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1CCN(C)c2cc(F)ccc21	588518660	VAABWBPXEAHDNJ-WAYWQWQTSA-N	317.389	3.087	10	20	DGCD	
CC[C@@H](N[C@@H]1COC[C@H]1OC)c1ccc(Cl)c(Cl)c1O	842912768	VVQHNYBMRWKPMH-IJLUTSLNSA-N	320.216	3.154	10	20	DGCD	
C[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O	841747684	DIGIWJSDWCEGHI-JQWIXIFHSA-N	310.825	3.096	10	20	DGCD	
CCOc1ccc(O)c(CN2CC[C@H](Oc3ccccc3)C2)c1	843415786	KMBNGLKIPLXOLU-SFHVURJKSA-N	313.397	3.444	10	20	DGCD	
COC1([C@H](C)NCc2cccc(Br)c2O)CCC1	840970142	QMAMDQZEBMEPTA-JTQLQIEISA-N	314.223	3.202	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CC2CCCCC2)C(=O)O)cc1	841809833	AITODIVYZCUUPM-QGZVFWFLSA-N	304.434	3.266	10	20	DGCD	
Cc1cccc2c(CCC(=O)NCCc3ccc(N)cc3)c[nH]c12	846665476	KUIMJCIVQPQXTB-UHFFFAOYSA-N	321.424	3.350	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC1CC1	843486478	UDNJIEGBPQWQEP-HNNXBMFYSA-N	324.424	3.234	10	20	DGCD	
CCc1cccc(CNCc2ccc(C[S@@](C)=O)cc2)c1O	848910097	FKYMPMWOOZKUHD-JOCHJYFZSA-N	317.454	3.123	10	20	DGCD	
CC[C@@H](NCC1CC2(C1)OCCO2)c1cc(Cl)ccc1O	927002697	XUUROTKKUSLESP-CQSZACIVSA-N	311.809	3.239	10	20	DGCD	
C[C@H]1C[C@H](NCc2cc(C3CC3)n(C)n2)c2c(O)ccc(F)c21	927109882	ZIYSBEZHDAKLLV-HZMBPMFUSA-N	315.392	3.480	10	20	DGCD	
C[C@@H](NCCc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1O	756573007	OPOARDOWTBOHME-LLVKDONJSA-N	319.351	3.499	10	20	DGCD	
CCc1cccc(CN2CCc3nc(C4CC4)ncc3C2)c1O	862507600	INBWENLJHLVAQP-UHFFFAOYSA-N	309.413	3.180	10	20	DGCD	
CN(C)c1ccc(CNc2ccccc2C[S@@](C)=O)cc1	762557237	WPJSPMZHGUXCJD-OAQYLSRUSA-N	302.443	3.243	10	20	DGCD	
NC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F	863646021	FTUBLRIYCZKJLP-ZYHUDNBSSA-N	322.758	3.005	10	20	DGCD	
CN(Cc1cscn1)Cc1c(O)cccc1Br	862234648	WJRIHEVKTZZQID-UHFFFAOYSA-N	313.220	3.243	10	20	DGCD	
C[C@H]1c2ccccc2OCCN1Cc1cc2c(cc1O)OCO2	768929534	IXRPWMNWGRBSST-LBPRGKRZSA-N	313.353	3.077	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccncc1Cl	863180635	QVLKDHXUMNCGJU-XYOKQWHBSA-N	307.806	3.191	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3nc(C)c(C)o3)CC2)cc1	1116348375	VWXBUUUWYGCDPB-UHFFFAOYSA-N	315.417	3.012	10	20	DGCD	
CCCOc1ccc(CNC2CCN(C(=O)OC)CC2)cc1C	873022477	NQSWQYGIQUNMSM-UHFFFAOYSA-N	320.433	3.104	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1	773018692	ZOHSWGJDMDPXQM-CQSZACIVSA-N	324.424	3.107	10	20	DGCD	
CCSCCCNCc1ccc(OC)c(Cn2cccn2)c1	873120970	BXZHJFFHJPKGKA-UHFFFAOYSA-N	319.474	3.173	10	20	DGCD	
COc1ccc(CNC(=S)Nc2cccc(F)c2F)c(O)c1	1116889998	MEDCLOUOBBJPQX-UHFFFAOYSA-N	324.352	3.166	10	20	DGCD	
CCc1cnccc1[C@@H](C)NCc1cc([N+](=O)[O-])ccc1O	773425787	CYERBBAMRIULLG-LLVKDONJSA-N	301.346	3.109	10	20	DGCD	
O=C(C=C1CCSCC1)NCc1ccc(N2CCCC2)cc1	772149138	UXBUUAXFVAKRTJ-UHFFFAOYSA-N	316.470	3.356	10	20	DGCD	
C[C@H](NC(=O)c1ccc2n[nH]cc2c1)c1ccc(N(C)C)cc1	775402099	BAJKGYQJVQMWBS-LBPRGKRZSA-N	308.385	3.120	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1	775409940	IURIWZDACHYKLG-CYBMUJFWSA-N	322.412	3.130	10	20	DGCD	
CC(C)[C@@](C)(O)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	788591881	JHRBZVMKKYTZGJ-HZMBPMFUSA-N	305.340	3.469	10	20	DGCD	
COC[C@@H](Cc1ccccc1)NCc1cc(F)cc(F)c1O	883027921	UGJJGIUQHSWRJV-OAHLLOKOSA-N	307.340	3.018	10	20	DGCD	
COc1cc(C)cc(CNC[C@@]2(C)CCO[C@H]2C2CC2)c1O	894475012	HWGXIIKIFQZIRF-ZWKOTPCHSA-N	305.418	3.004	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](C)c2nc(C)cs2)c1O	894455794	JGYKYEPCWNGUDZ-NSHDSACASA-N	306.431	3.367	10	20	DGCD	
COCCCNC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1	164299164	RLKZUQWXJHIAAS-SNVBAGLBSA-N	316.492	3.074	10	20	DGCD	
C[C@@H]1SCC[C@H]1NCc1ccc(Br)cc1O	691463871	CQILZMDDSVPPLT-GZMMTYOYSA-N	302.237	3.138	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1occ2c1CCC2	1327167230	PRKZNQZHJACEPC-UHFFFAOYSA-N	303.705	3.210	10	20	DGCD	
CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(F)cc(F)c1O	1331566508	AUFPCEWZRKBBTO-UHFFFAOYSA-N	309.360	3.323	10	20	DGCD	
O[C@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1	1339476262	VKXGEFDXWXWJFC-IBGZPJMESA-N	308.425	3.210	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N(C)Cc1ccoc1C	1520732147	VOHHJKFSYYACTA-UHFFFAOYSA-N	318.402	3.270	10	20	DGCD	
Cc1cc(O)c(CNCc2ccccc2C(=O)O)c(Cl)c1	1605217016	UZXMPKSPQDKDBB-UHFFFAOYSA-N	305.761	3.342	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C(=O)O)c2ccc(F)c(C)c2)cc1C	1600286587	QWKRMHHWOHCBJS-QGZVFWFLSA-N	317.360	3.372	10	20	DGCD	
C[C@@H]1[C@@H](CC(=O)O)CC[C@H]1NCc1ccc2c(c1)CCCN2C	1609840452	KNIBMKVNZBNJMW-FRFSOERESA-N	316.445	3.048	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2ccccc2C(=O)O)cc1F	1593711416	WDQGNVWRORZBCL-UHFFFAOYSA-N	320.339	3.019	10	20	DGCD	
CCOCc1cc(CN[C@H](CC(=O)O)[C@@H](C)CC)ccc1OC	1776907279	PLIUSQWBWCQVDS-XJKSGUPXSA-N	323.433	3.211	10	20	DGCD	
COc1ccccc1C[C@H](C)N(C)Cc1cccc(OC)c1O	156041155	LWHWVBQDHMIGEF-AWEZNQCLSA-N	315.413	3.472	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)c3ncon3)c2C)c1	155461904	QAVZSGZIZHOKKK-ZDUSSCGKSA-N	324.384	3.277	10	20	DGCD	
C[C@@H](NCc1cccc(Br)c1O)[C@H]1CCCOC1	388942507	GOROMJCEFTXFTJ-PWSUYJOCSA-N	314.223	3.059	10	20	DGCD	
COc1cccc(CNC(=O)c2cc(SC)ccc2C)c1O	105651963	SUEAALSDDOBNDB-UHFFFAOYSA-N	317.410	3.361	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCc2ccccc2Cl)c1	114512453	DAYHRQXZVNSTHW-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1O	179578933	JLEZCIKBEFEHNU-KRWDZBQOSA-N	310.441	3.489	10	20	DGCD	
C[C@H](Nc1ncc(C(N)=O)cc1Cl)c1ccc(N(C)C)cc1	302361808	FRFLOZHGWYWKQV-JTQLQIEISA-N	318.808	3.073	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CC=CCC1	69109191	DCYLFLRBKXDVQC-MRXNPFEDSA-N	313.445	3.442	10	20	DGCD	
CSCCCCC(=O)NCc1ccc(N2CCCC2)cc1	172511453	AMWSJWGIQVEUOV-UHFFFAOYSA-N	306.475	3.436	10	20	DGCD	
Cc1cccc(CN(Cc2ccco2)C[C@@H]2CCCO2)c1O	179838402	BAOJNDVTJCWSCL-KRWDZBQOSA-N	301.386	3.475	10	20	DGCD	
CCCN(CCC)C(=O)NCc1ccc(N2CC=CC2)cc1	127906632	WDEYACAVFXOABU-UHFFFAOYSA-N	301.434	3.394	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@@H]1C[C@@H](O)c1ccco1	180271202	ZNMDLUJMBGSTGE-GDBMZVCRSA-N	305.349	3.212	10	20	DGCD	
C[C@@H](NCC(C)(C)CCO)c1ccc(Br)cc1O	185609312	DBIMFVJLZMBVLP-SNVBAGLBSA-N	316.239	3.214	10	20	DGCD	
CCCN(Cc1nc2ccccc2n1C)c1ccc(CN)cc1	194977199	DTGMZOCFUDJWNI-UHFFFAOYSA-N	308.429	3.449	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCNC(=O)C2CCC2)cc1	90185608	UWEWMIVUBAQCNN-OAHLLOKOSA-N	317.477	3.100	10	20	DGCD	
CN1CCC2(CCCN2Cc2c(O)ccc(Cl)c2F)CC1	365266413	WNGMBANNTGWRPS-UHFFFAOYSA-N	312.816	3.245	10	20	DGCD	
C[C@@H](NCc1cccc(Cl)c1O)[C@@H](O)c1cccc(F)c1	271858912	VLGQGKGTAPWURF-MEBBXXQBSA-N	309.768	3.396	10	20	DGCD	
Cc1cc(-c2nc([C@@H]3CCCO3)no2)c(C)n1-c1ccccn1	274166969	OJQWYHBIJDFGQY-AWEZNQCLSA-N	310.357	3.391	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@H]1CCC12CCOCC2	367088492	WRRATYLXTQGUDR-SFHVURJKSA-N	300.446	3.336	10	20	DGCD	
Cc1cc(CNCc2ccc(N(C)C)cc2)cc(N2CCCC2)n1	289709286	FHHKKOAEMKEEGX-UHFFFAOYSA-N	324.472	3.346	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H]2CCN(CC3CC3)C2)c1O	808694052	ZGSYAGLNRKKFDK-DOMZBBRYSA-N	308.853	3.489	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccnc(C)n1	801711898	XNADAIXSKMOYKV-UHFFFAOYSA-N	314.389	3.325	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NCC2CCC2)C2CC2)cc1	298861694	DBXWXMWMZJXYJC-UHFFFAOYSA-N	301.434	3.227	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)CCCCO)c(C)n1-c1ccccc1	295419523	IQKQZWMJMTYRHR-CQSZACIVSA-N	314.429	3.375	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2ccsn2)C2CC2)cc1	294184660	AVGNKIHORZJEQD-UHFFFAOYSA-N	301.415	3.014	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnn(C)c2Cl)cc1	815115029	DOZBIYAKGSDCHY-UHFFFAOYSA-N	306.841	3.210	10	20	DGCD	
OC[C@H]1Cc2ccccc2N(Cc2cc(Cl)cc(F)c2O)C1	814169762	MNDYMCTYMHCHRD-NSHDSACASA-N	321.779	3.356	10	20	DGCD	
CC[C@@H](NC[C@H](N)C(C)C)c1ccc(C(F)(F)F)cc1O	817957527	CNMDXVMRPLRFFN-QWHCGFSZSA-N	304.356	3.435	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)c1ccc(C(F)(F)F)s1	812267901	IEFBBCYDNGFRDH-UHFFFAOYSA-N	323.317	3.273	10	20	DGCD	
OCCC1(NCc2cc(Cl)c(F)cc2O)CCCCC1	816555607	KLHCPKNRTOKYHX-UHFFFAOYSA-N	301.789	3.360	10	20	DGCD	
Cc1cc(CN[C@@]2(CO)CCCc3ccccc32)ccc1N(C)C	815107102	GCYKFHNXIQFXJA-OAQYLSRUSA-N	324.468	3.375	10	20	DGCD	
C[C@@H](CNCc1ccc(N(C)Cc2cccs2)cc1)N(C)C	824092429	ZXVWGLOOHIHWDN-HNNXBMFYSA-N	317.502	3.424	10	20	DGCD	
COc1cc2c(c(OC)c1)N(C(=O)/C=C\c1cccnc1)CCC2	493594610	ZUQUCYRWKSTIGA-FPLPWBNLSA-N	324.380	3.091	10	20	DGCD	
CCOc1ccc(N(CC)C(=O)/C=C(\C)c2cnccn2)cc1	824815775	ZDCMERZFXHETBV-WYMLVPIESA-N	311.385	3.332	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(C(=O)O)o2)cc1F	737095170	YWAPKIXOPVQOAS-UHFFFAOYSA-N	320.364	3.253	10	20	DGCD	
CC1CCN(C[C@H]2CCCN(C(=O)c3cc(O)cs3)C2)CC1	731872885	SXRLFUWBABMQOR-CQSZACIVSA-N	322.474	3.038	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)nc1C	839524384	FDOJZKWVRBACGY-UHFFFAOYSA-N	309.413	3.229	10	20	DGCD	
C[C@H]1CCC[C@@H](OCC(=O)NCc2ccc(N(C)C)c(F)c2)C1	732936193	SJZBVADWGKKVQU-DZGCQCFKSA-N	322.424	3.103	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccc(F)cc1	734406225	NZJSRZICZPSJJR-UHFFFAOYSA-N	314.404	3.449	10	20	DGCD	
C[C@@H](OC(=O)c1cc(O)cs1)c1nnc(-c2cccs2)o1	731909635	HBQQVUKTTTYIIU-SSDOTTSWSA-N	322.367	3.483	10	20	DGCD	
CCOc1ccccc1C(=O)NCc1ccc(N(C)C)cc1C	734404515	IKLSOEWDMMRYNC-UHFFFAOYSA-N	312.413	3.390	10	20	DGCD	
CC(C)COc1ccc(C(=O)NCc2ccc(O)cc2O)cc1	910957861	OEURZUBJWFHOTO-UHFFFAOYSA-N	315.369	3.063	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC([C@@H]2CCCNC2)CC1	849349519	BXWCWOJCZJTBBL-CQSZACIVSA-N	308.853	3.257	10	20	DGCD	
C[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O	841747681	DIGIWJSDWCEGHI-CMPLNLGQSA-N	310.825	3.096	10	20	DGCD	
COc1ccc(N2CCCN([C@H](C)c3cccnc3)CC2)cc1	918186709	GZOQSLHZFKWPET-MRXNPFEDSA-N	311.429	3.364	10	20	DGCD	
COc1ccnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1	743333494	RBVLOMYKEPMIHQ-UHFFFAOYSA-N	312.417	3.112	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](N2CCCC2)C[C@H]1C	840948678	XWFMUCCXFUUPIK-APWZRJJASA-N	301.478	3.120	10	20	DGCD	
COc1cc(C)cc(CN2CC3(CCOCC3)C[C@H]2C)c1O	842636324	AQGYDVKCYMIMAZ-CQSZACIVSA-N	305.418	3.100	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2CCCN2CC(F)(F)F)c1	926923592	WRWQQGNPDBHZJH-CHWSQXEVSA-N	316.367	3.378	10	20	DGCD	
C[C@H](NCCN(C)CC(F)F)c1ccc2ccccc2c1O	858596748	IFYDALXAIXCALP-LBPRGKRZSA-N	308.372	3.393	10	20	DGCD	
COc1cccc(OC)c1CN[C@H](C)c1cc(F)ccc1O	850505070	MAGRGXSEOUYYGL-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(Cl)cc1O	858480390	SPHDAAJQPBNKGL-PWSUYJOCSA-N	318.795	3.426	10	20	DGCD	
COc1cc(CNC[C@H](O)CC(C)C)c(O)c(C(C)(C)C)c1	850099641	RJELGGVMEIHREX-CQSZACIVSA-N	309.450	3.195	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](O)CNCc1cc(Cl)ccc1O	850412059	SIPPYJTWBFXZSJ-YVEFUNNKSA-N	305.805	3.300	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2CCCN3CCCC[C@@H]23)cc1F	858185930	KGQFVGNTADDWDV-SJORKVTESA-N	323.431	3.137	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1cc(F)ncn1	853095890	DBVNBHSYXVMIBG-UHFFFAOYSA-N	300.381	3.242	10	20	DGCD	
CCc1c(C(=O)NCc2cc(C)ccc2O)cnn1CC(C)C	862757741	DASRMLWJSRZWSQ-UHFFFAOYSA-N	315.417	3.046	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccncc1Cl	863180634	QVLKDHXUMNCGJU-WQLSENKSSA-N	307.806	3.191	10	20	DGCD	
Oc1ccc2c(c1)CCN(Cc1cc(Cl)ccc1O)CC2	769191814	MYXYTJWXPYDFKT-UHFFFAOYSA-N	303.789	3.352	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(c3cc(F)ccc3F)CC2)c1	769426471	BWPHRXPQGIWVBK-UHFFFAOYSA-N	318.367	3.301	10	20	DGCD	
CCN(C)C[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	768467070	WYQSJCPGWJGSBB-OAHLLOKOSA-N	302.462	3.045	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1c2ccccc2O[C@@H]1C)c1ccccc1O	868617239	ABRYQBFRDBEBNI-QFSBIZTOSA-N	312.369	3.275	10	20	DGCD	
C[C@H](NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccccc1O	760040451	KHYRGGQCVNAZLB-BOFPYLFWSA-N	315.388	3.348	10	20	DGCD	
COCc1ccc(CN(C)c2ccc(OC)c(OC)c2)cc1	761221355	JHXIBHOJNGVLHC-UHFFFAOYSA-N	301.386	3.487	10	20	DGCD	
CO[C@@H](CNC(=O)c1cc(O)cs1)c1ccccc1Cl	764341155	CWLRLQPMYBFZNS-LBPRGKRZSA-N	311.790	3.225	10	20	DGCD	
Cc1cc(C(=O)OCCCCCCO)c(C)n1-c1ccccn1	776371521	AIKLCRMKESKCKY-UHFFFAOYSA-N	316.401	3.199	10	20	DGCD	
CN1CCCc2cc(CNCc3ccc4oc(=O)oc4c3)ccc21	882943128	GBMZEQMKHDNVKA-UHFFFAOYSA-N	324.380	3.058	10	20	DGCD	
CC(C)CCCCCC(=O)OCC(=O)c1ccc(O)c(O)c1	783981333	PTXKHXROKMSAHE-UHFFFAOYSA-N	308.374	3.430	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ncnn2-c2ccccc2)c(O)c1	786938021	DNBASLBZGRKAOE-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
CC(C)=C[C@@H]1[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1(C)C	782220943	LGZUKMNFQSEEGM-WBMJQRKESA-N	318.369	3.062	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNc1cnccc1-n1cccn1	790989268	KFSKTRISLOYBQQ-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
COc1cc(Cl)cc(CN2CCO[C@H](C(C)(C)C)C2)c1O	790930507	DEMZBFYJMZODTP-AWEZNQCLSA-N	313.825	3.301	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC)cc1O	792833362	AMXGXWXQYFZRLF-DOMZBBRYSA-N	306.406	3.169	10	20	DGCD	
Cc1cccc2oc(CCNCc3cc(F)ccc3O)nc12	799118975	DHLHDDRFNJRMJG-UHFFFAOYSA-N	300.333	3.313	10	20	DGCD	
CO[C@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	792179006	MOCSHFGNVLFLJD-RDTXWAMCSA-N	319.449	3.024	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c(O)c1	792977436	WHNDZKNXMKTGLI-SWLSCSKDSA-N	320.433	3.415	10	20	DGCD	
CCOc1ccc(CNc2ccc(OC(F)F)cn2)c(O)c1	793267619	YMKDTAWGXJVESK-UHFFFAOYSA-N	310.300	3.399	10	20	DGCD	
CCC(CC)(CC(=O)O)NCc1cc(F)c(N(C)C)cc1F	1604992251	OTFQUGQFRIWAQL-UHFFFAOYSA-N	314.376	3.154	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H](CC(=O)O)c3ccccc32)cc1	1598318288	VKVYNRMBIGFCJE-HNNXBMFYSA-N	310.397	3.331	10	20	DGCD	
CCN1CCc2cc(CNC[C@](C)(CC(C)C)C(=O)O)ccc21	1776877485	NEJYXRZHFVWQKF-IBGZPJMESA-N	318.461	3.296	10	20	DGCD	
Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1	15134779	ZFQAPGPUXMIDDA-HNNXBMFYSA-N	312.413	3.145	10	20	DGCD	
CN(Cc1ccccc1O)Cc1ncsc1Br	851841364	POZOOOAJHQFZII-UHFFFAOYSA-N	313.220	3.243	10	20	DGCD	
CO[C@H](C1CC1)[C@@H](C)NCc1cc(Br)ccc1O	388233759	NMQCMXJIQZAHKB-OTYXRUKQSA-N	314.223	3.058	10	20	DGCD	
C[C@@H]1C[C@@H](C(=O)O)CN(Cc2cc(Cl)cc(Cl)c2O)C1	399051357	GOZOMAGYACPMGD-PSASIEDQSA-N	318.200	3.242	10	20	DGCD	
Oc1ccc2c(c1CNc1ncnc3ncccc13)CCCC2	119655238	GAYAKKOJCIKCKO-UHFFFAOYSA-N	306.369	3.221	10	20	DGCD	
CCc1ccc([C@@H](COC)NCc2cccc(OC)c2O)o1	174481169	URBZDILPWLLPCF-CQSZACIVSA-N	305.374	3.034	10	20	DGCD	
C[C@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O	170789507	ACJQWNXEHUPMRA-QWRGUYRKSA-N	320.330	3.066	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCCCCOC	66701971	VJPKCQDRHKCFHX-UHFFFAOYSA-N	308.422	3.131	10	20	DGCD	
COc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1	174512411	JNTLIGKLKAHPQW-UHFFFAOYSA-N	311.381	3.210	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)c2ccc(F)c(F)c2)c1	305775243	NHEWZKNAFXFIJT-BTDLBPIBSA-N	323.339	3.063	10	20	DGCD	
COc1cccc(CNC(=O)C[C@H](C)c2cccc(F)c2)c1O	116444591	JDMBZLRTTMFRCN-LBPRGKRZSA-N	317.360	3.350	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@]1(O)CCC[C@@H](C(F)(F)F)C1	188807623	YNZCGZBFNFYOAI-RISCZKNCSA-N	321.314	3.105	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2cc(F)ccc2O)C1	185658169	IWIUOZRMGAAOGR-CVOVGHTJSA-N	313.438	3.262	10	20	DGCD	
CCOc1cccc(CNC[C@@H](C)CN2CCCCC2)c1O	77290547	GPBZUJYQCPROFW-OAHLLOKOSA-N	306.450	3.003	10	20	DGCD	
C[C@@H](O)[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	136825235	KXVHPJKKOAEFOO-AEFFLSMTSA-N	302.462	3.270	10	20	DGCD	
CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nccs2)cc1	133231027	UIINVXWXNCSPFI-SECBINFHSA-N	306.412	3.465	10	20	DGCD	
COc1ccc(N(C)CCOc2ccccc2OC)c(OC)c1	132217340	ROPZSSJZMWUJDD-UHFFFAOYSA-N	317.385	3.228	10	20	DGCD	
CCC[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	140937727	OVCSTCYMUPMGNK-LSDHHAIUSA-N	319.449	3.072	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3cc4c(cc3O)CCCC4)CC[C@H]21	245547884	WSYMHDFXUPCKEP-PKOBYXMFSA-N	314.473	3.187	10	20	DGCD	
CC[C@@H](CSC)NC(=O)NCc1c(C)c2ccccc2n1C	349802295	NJLNSZSQZSKLAO-ZDUSSCGKSA-N	319.474	3.428	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C\c2cccnc2)cc1Cl	255917282	WVMKBKCBKTUSGF-YVMONPNESA-N	302.761	3.420	10	20	DGCD	
Cc1c(CNC(=O)CC[C@@H]2CCCO2)n(C)c2ccccc12	348656932	BAPJFSQQHDONRQ-AWEZNQCLSA-N	300.402	3.062	10	20	DGCD	
CC(C)(C)OC(=O)NCCCCN[C@@H]1CCc2cccc(O)c21	296579735	VWNQJHMFTRCAED-CQSZACIVSA-N	320.433	3.274	10	20	DGCD	
CN1C(=O)/C(=C/c2ccccc2OC(F)(F)F)SC1=S	255049856	ZKGHPTBPFNNPAY-TWGQIWQCSA-N	319.329	3.416	10	20	DGCD	
COc1ccc(CN[C@@H]2CCO[C@]3(CCSC3)C2)cc1C	269114342	DANXIMKEZQPJTG-NVXWUHKLSA-N	307.459	3.148	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H]2CCO[C@H](C)C2)c1O	271794041	HLUOXRMNHCCOHL-MFKMUULPSA-N	314.223	3.120	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](CO)c2ccc(Cl)cc2)c1	273548801	ZXICVYUDXANHBG-MEDUHNTESA-N	321.804	3.438	10	20	DGCD	
CCNC(=O)C1(CN[C@@H](CC)c2cccc(Cl)c2O)CCC1	287708817	NZXIKIAQGHYNSM-AWEZNQCLSA-N	324.852	3.393	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C(N)=O)c1ccccc1	282488606	POFYHOSWHIAESK-GOSISDBHSA-N	312.413	3.221	10	20	DGCD	
CC[C@@H](NCC(F)(F)CN)c1cc(Cl)cc(Cl)c1O	817967361	GLYCOHKHKXXVIN-SNVBAGLBSA-N	313.175	3.334	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2cc(Cl)c(F)cc2O)C[C@@H]1C	816515146	QTDQMNAASIYZEI-WCQYABFASA-N	314.832	3.489	10	20	DGCD	
CC[C@H](Cc1ccccc1C)C(=O)NCc1ccc(O)c(O)c1	819398042	HQSRGCXLJUWPPX-OAHLLOKOSA-N	313.397	3.291	10	20	DGCD	
CCOc1ccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)c1	811510348	CWLZGXJRXRSPDZ-SJORKVTESA-N	305.418	3.180	10	20	DGCD	
NC(=O)COc1cccc(NCc2ccc3ccccc3c2O)c1	816522869	RTTSKFBMBKEQGZ-UHFFFAOYSA-N	322.364	3.022	10	20	DGCD	
C[C@@H](Nc1ccc(COCCO)cc1)c1cc(F)cc(F)c1O	818362054	OWCZWDNQFMGGDH-LLVKDONJSA-N	323.339	3.352	10	20	DGCD	
C[C@H](C[C@@H]1CCOC1)NCc1ccc(Br)cc1O	825347400	LECDKQBDACZHKB-MNOVXSKESA-N	314.223	3.059	10	20	DGCD	
CN(CCc1ccccc1)[C@H]1CCN(Cc2ccccc2O)C1	827179044	OZWIRGDGKGPIMI-IBGZPJMESA-N	310.441	3.141	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C(C)(C)c2ccc(F)cc2)cc1	728460590	QKQGVGIHIXGTMU-UHFFFAOYSA-N	314.404	3.486	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1C[C@@H]1c1c(F)cccc1F	734942815	QFOPJQTYXSFJMS-FZMZJTMJSA-N	318.323	3.026	10	20	DGCD	
CN1C(=O)C2(CCCC2)N[C@H]1c1ccc(N2CCCCC2)cc1	742439823	NZSGERQZKFAZAK-QGZVFWFLSA-N	313.445	3.050	10	20	DGCD	
COc1ccc(N(C)Cc2ccnn2CC(C)C)cc1OC	843403378	DETSTGDWAKYRLQ-UHFFFAOYSA-N	303.406	3.193	10	20	DGCD	
O=C(O)[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	843306211	OGBMCSONNFJXST-MSOLQXFVSA-N	316.445	3.410	10	20	DGCD	
COc1cc(CN2CCC(OC3CCC3)CC2)c(O)cc1C	841686561	OPCHEMURQBPKCR-UHFFFAOYSA-N	305.418	3.243	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc2oc(=O)n(C)c2c1	840936074	GKLHMKAJJQGMPT-UHFFFAOYSA-N	311.385	3.118	10	20	DGCD	
C[C@](O)(CNCc1ccc2c(c1)CCCO2)c1cccc(F)c1	922561453	AIYPPQUSDLHVSA-IBGZPJMESA-N	315.388	3.148	10	20	DGCD	
COc1cc(CNC[C@H](O)c2ccco2)c(O)c(C(C)(C)C)c1	850023056	YOHQRBCERMQZIY-HNNXBMFYSA-N	319.401	3.115	10	20	DGCD	
C[C@H](N[C@H]1CN(C2CC2)C[C@@H]1C)c1cc2c(cc1O)CCCC2	756646225	JQSQWIQDCZLBMY-NJSLBKSFSA-N	314.473	3.404	10	20	DGCD	
C[C@H]1C[C@H](CCNCc2cc(Cl)cc(F)c2O)CCO1	753584958	CHBUOWKDFMUUJA-WDEREUQCSA-N	301.789	3.480	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@@H]1C	850568008	NVVPRTXWSIWHSA-KYNGSXCRSA-N	302.462	3.172	10	20	DGCD	
CC(C)N(CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(C)C	756370382	GCKLDWHRXKIYRS-CYBMUJFWSA-N	309.410	3.070	10	20	DGCD	
CCc1cccc(CNC[C@H](OC)c2cccc(OC)c2)c1O	862433159	CNCZANIYIGNRMO-SFHVURJKSA-N	315.413	3.441	10	20	DGCD	
CC(C)O[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C1(C)C	768450547	QXOQYONEFQXIFX-HOTGVXAUSA-N	320.433	3.126	10	20	DGCD	
COc1cc(CN2CCOC[C@H]2c2ccccc2)c(O)cc1C	768466512	QYZDHGSBEKJSTK-KRWDZBQOSA-N	313.397	3.283	10	20	DGCD	
COc1ccc(C[C@@H](C)C(=O)NCc2cc(C)ccc2O)cc1	862757990	LDZLVXGXSVOLTN-CQSZACIVSA-N	313.397	3.204	10	20	DGCD	
CC[C@@](C)(NC(=O)NCc1cc(C)ccc1O)C(F)(F)F	933504711	KAEUVCVAVHWONR-CYBMUJFWSA-N	304.312	3.231	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(CCN[C@H](C)c2ccc(N(C)C)cc2)C1	764949799	NCRPNDZVCFRONX-IXDOHACOSA-N	303.494	3.381	10	20	DGCD	
Cc1cccc(O)c1CNC1CCN(CCc2ccccc2)CC1	876920408	QLFKOURRHANJGJ-UHFFFAOYSA-N	324.468	3.497	10	20	DGCD	
C[C@H](CN(C)C(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1	779513422	HKPYBLGAXCQMQW-RBJHHQRMSA-N	311.381	3.373	10	20	DGCD	
O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccc(O)c1O	776351191	UXLHSLSCYJCCSA-GOEBONIOSA-N	311.381	3.239	10	20	DGCD	
COc1c(F)cc(F)cc1NC(=O)/C=C/c1ccc(O)c(O)c1	779533004	VJMYVQPOWAAQEK-HWKANZROSA-N	321.279	3.037	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CC4(CCCC4)C3)ccc21	779548876	BNSIJPNCFKHOQQ-UHFFFAOYSA-N	313.445	3.155	10	20	DGCD	
CC[C@@H](CSC)NC(=O)NCc1ccc(N(C)C)cc1C	774785896	YMXKFAJYOCTLMZ-AWEZNQCLSA-N	309.479	3.002	10	20	DGCD	
C[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@H](C)S1	773624469	MOEGYEHZLSWTRP-HZSPNIEDSA-N	321.490	3.349	10	20	DGCD	
Cc1cccnc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773627623	PLEFHMBGZZKMPU-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
CN(Cc1ccc2c(c1)OCO2)Cc1cc(F)cc(F)c1O	893912118	RUZAIVVVRSMEDA-UHFFFAOYSA-N	307.296	3.031	10	20	DGCD	
CCC(CC)[C@@H](C)C(=O)NCCNCc1ccc(OC)c(C)c1	1130573777	ZBYDMYLGOZLJEM-OAHLLOKOSA-N	320.477	3.282	10	20	DGCD	
CC[C@H](C)n1nccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1338971586	UGEIQRIWDJAAES-KBPBESRZSA-N	314.433	3.411	10	20	DGCD	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)Cc1ccc(N)cc1	1343521773	CNFAMTCKQGUIOR-GOSISDBHSA-N	312.413	3.430	10	20	DGCD	
Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2ccc(N)cc2)cc1	1357791078	IVZJRMBDCVFEAX-IBGZPJMESA-N	323.440	3.494	10	20	DGCD	
Nc1ccc(CN2CCNC[C@@H]2c2cccc(Cl)c2)cc1	1352791124	VPIWTBHXVVQSBP-QGZVFWFLSA-N	301.821	3.069	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)c1c(F)cncc1F	1604322981	STGCDZMNSBTXAE-BDAKNGLRSA-N	322.311	3.175	10	20	DGCD	
CC(C)(C)c1cnc(Sc2ccnc(-c3nn[nH]n3)c2)s1	1603120659	KKIUVFJCEDVUPZ-UHFFFAOYSA-N	318.431	3.167	10	20	DGCD	
COCc1csc(CN[C@H](C)c2cc(C(=O)O)ccc2O)c1	1599299665	CCBIHRGSXGKUKA-SNVBAGLBSA-N	321.398	3.149	10	20	DGCD	
CN(Cc1cc(C(C)(C)C)no1)c1ccc(OCC(=O)O)cc1	1777066837	AUSGSVSHDWUABL-UHFFFAOYSA-N	318.373	3.072	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C(C)(C)c2ccc(F)cc2)c1	151734556	GNPDYUZTBQNHHT-UHFFFAOYSA-N	317.360	3.134	10	20	DGCD	
CCCN(CC[S@@](=O)c1ccccc1)Cc1ccccc1O	104682349	AYZJXVYJRWZMQB-QFIPXVFZSA-N	317.454	3.412	10	20	DGCD	
COc1ccc(O)c(CN(C)CCOc2ccc(F)cc2)c1	179619816	NGHRJZIDPILQMK-UHFFFAOYSA-N	305.349	3.051	10	20	DGCD	
C[C@@H](N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccccc1O	179884714	LWFACQQGHGSHBN-RHSMWYFYSA-N	310.397	3.238	10	20	DGCD	
C[C@@H](NCCN1CCCC1)c1ccc(N2CCCCC2)cc1	178311161	AVJKINBZLAQLLQ-QGZVFWFLSA-N	301.478	3.423	10	20	DGCD	
CN(CCCc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1	180932463	DEMZUVPZDYKOHV-ZRDIBKRKSA-N	311.381	3.202	10	20	DGCD	
C[C@H](Nc1cnn(Cc2ccccn2)c1)c1cc(F)ccc1O	186390749	RPXDBKRLZLEJRL-LBPRGKRZSA-N	312.348	3.344	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@H]3CCOC3)c2C)c1	42726946	ZPIKHHZRAGLPCC-MRXNPFEDSA-N	312.413	3.169	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCO[C@]3(CCSC3)C2)c1	186136375	OYHOBVWRQLINDC-IIYDPXPESA-N	323.458	3.106	10	20	DGCD	
CCCN(C(=O)/C=C/c1cccnc1)c1cccc([N+](=O)[O-])c1	194120561	QCRLVMGHFWIAOC-CMDGGOBGSA-N	311.341	3.446	10	20	DGCD	
Cn1cc([C@@H]2CSCCN2Cc2cccc(Cl)c2O)cn1	191741688	YCUHFFNIPBUFNA-AWEZNQCLSA-N	323.849	3.069	10	20	DGCD	
COc1cccc(CN2CCC(OC3CCCC3)CC2)c1O	92758907	LUMXAPLCGWHFCM-UHFFFAOYSA-N	305.418	3.324	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(OC(C)=O)CC2)cc1F	93453880	OVZHYFRKCDEYOO-UHFFFAOYSA-N	322.424	3.199	10	20	DGCD	
CCC(=CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)CC	268407645	HSAJCZSRNXFQML-UHFFFAOYSA-N	316.445	3.228	10	20	DGCD	
CCOC[C@@H]1CN(Cc2cc(C(C)C)c(C)cc2O)CCO1	530107562	ROXLDFWGACFUTJ-INIZCTEOSA-N	307.434	3.061	10	20	DGCD	
C[C@@H](COCC(F)(F)F)N[C@@H](C)c1ccc(F)c(F)c1O	277003709	ZRLQQMIEFBPYIM-YUMQZZPRSA-N	313.266	3.288	10	20	DGCD	
CCCCCN(CCCOC)C(=O)/C=C/c1ccc(O)c(O)c1	273003876	PAANQKDUVZNOKI-CSKARUKUSA-N	321.417	3.166	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@H]2CCCN(C(C)=O)C2)cc1	280848862	BJCVACQJTATMAF-DOTOQJQBSA-N	317.477	3.052	10	20	DGCD	
O=C1CCc2nc(NCCCSc3nccs3)ccc21	807974129	UKDXDKXBTLSIIN-UHFFFAOYSA-N	305.428	3.261	10	20	DGCD	
CC(C)CN1CCC[C@H](CN[C@@H]2CCc3cccc(O)c32)C1	296954257	QWOXWCUVQFUNJB-NVXWUHKLSA-N	302.462	3.337	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cc(Cl)cc(C)c1O)[C@H]1CCCO1	808715494	GWRHXEQGHZJMGA-TUKIKUTGSA-N	313.825	3.199	10	20	DGCD	
O=C(Nc1nc(C2CCC2)cs1)c1c(F)ccc(O)c1O	295079276	AZSHZFDWPZSGOD-UHFFFAOYSA-N	308.334	3.213	10	20	DGCD	
C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(F)cc1O	296617249	WQNXWJONJBMBLC-MRVPVSSYSA-N	315.270	3.191	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccn1C(C)C	808094545	UDASLWLGTMQMNW-UHFFFAOYSA-N	307.390	3.190	10	20	DGCD	
Cc1ccc(O)c(CN(CC(=O)N2CCCCCC2)C(C)C)c1	809715143	ZFEYAECBKVECJT-UHFFFAOYSA-N	318.461	3.314	10	20	DGCD	
CN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])C1CC(C)(C)C1	395537471	YHWQFLCDBLTLHY-FNORWQNLSA-N	304.346	3.317	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCNC3(CCC3)C2)cc1	817987412	YTVRVDFYVKRYJK-RDJZCZTQSA-N	301.478	3.468	10	20	DGCD	
Cc1c(NC(=O)NCc2ccc(N(C)C)cc2)ccnc1Cl	810291560	OWBYQOYTPMHBFI-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
COc1cccc(CNCc2cc(Cl)c(F)cc2O)c1O	816610519	NIANMJQZTIKQIP-UHFFFAOYSA-N	311.740	3.189	10	20	DGCD	
CCN(C(=O)/C=C\c1cncc(F)c1)c1ccc(OC)cc1	491519264	ICIYTSVXRFRXJE-WTKPLQERSA-N	300.333	3.296	10	20	DGCD	
CC[C@](C)(CC(=O)O)NCc1cc(Cl)cc(Cl)c1O	828665704	WWXWOYTWGABLCD-CYBMUJFWSA-N	306.189	3.432	10	20	DGCD	
COc1cccc(O)c1CNCC[C@@]1(C)CC1(Cl)Cl	824971689	WTHVZXXWJOHWKF-ZDUSSCGKSA-N	304.217	3.464	10	20	DGCD	
C[C@@H](N)c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1	827913778	MCJWEQBSVAEHSA-CQSZACIVSA-N	323.440	3.019	10	20	DGCD	
COc1ccc(O)c(CN(CCN(C)C)Cc2ccsc2)c1	839187603	XFQRXQSLUHENOW-UHFFFAOYSA-N	320.458	3.026	10	20	DGCD	
COc1ccc(N2CCN(C[C@H]3CC3(Cl)Cl)CC2)cc1	838900923	QTRDVLCVKFTQET-GFCCVEGCSA-N	315.244	3.011	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836496894	IFAQJWHBLLBSSZ-KBAYOESNSA-N	316.445	3.059	10	20	DGCD	
CCN(CC(=O)O)Cc1ccc2c(c1)CCN2Cc1ccccc1	901427302	YJGRMPQIUTTWCW-UHFFFAOYSA-N	324.424	3.156	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCc2cn(C)cn2)c1O	903352017	PXVVHVIFFPXGJQ-JTQLQIEISA-N	324.222	3.047	10	20	DGCD	
CC[C@H](COC)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	738438960	HANMYUXBFLVNEY-OAHLLOKOSA-N	321.421	3.100	10	20	DGCD	
COCc1cccc(NC(=O)N(C)Cc2ccccc2O)c1	916677787	LMSDRWQSOIJQFI-UHFFFAOYSA-N	300.358	3.203	10	20	DGCD	
COC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)C	741612820	WEKOQKWHZDGMOE-SFHVURJKSA-N	314.429	3.495	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc(OC(C)C)nc2)c1O	846141790	STNUFADOHOZFDB-ZDUSSCGKSA-N	316.401	3.434	10	20	DGCD	
Cc1ccccc1[C@@H]1CN(C(=O)c2cc(O)cs2)[C@@H](C)CO1	743710843	WKRCMZVWOROPEC-WFASDCNBSA-N	317.410	3.364	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)[C@H](O)Cc2ccccc2)c1O	846157205	SAZTWQUGVAYBPN-GRDNDAEWSA-N	315.413	3.044	10	20	DGCD	
COc1cc(N2Cc3cccc(F)c3C2)c([N+](=O)[O-])cc1OC	840343440	VGLUGVOJOQDUCS-UHFFFAOYSA-N	318.304	3.271	10	20	DGCD	
Cc1cc(O)c(CNCCc2cn3c(C)cccc3n2)cc1C	842783144	SVQYYOYJVHAKRW-UHFFFAOYSA-N	309.413	3.297	10	20	DGCD	
COC[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(C)o1	921809440	MOKVUDPHAJUJAW-INIZCTEOSA-N	301.386	3.390	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2COc3cc(F)ccc3C2)c(O)c1	850536770	JSUZMWGKBJRRGH-IUODEOHRSA-N	301.361	3.494	10	20	DGCD	
CCOc1ccc(CNc2nnc(-c3ccoc3C)o2)c(O)c1	758440138	CCWDKUTXQLFESK-UHFFFAOYSA-N	315.329	3.354	10	20	DGCD	
C[C@H](N[C@@H](C)C1(CO)CC1)c1cccc(C(F)(F)F)c1O	850515418	KUIIDNMLKAZXLM-UWVGGRQHSA-N	303.324	3.223	10	20	DGCD	
COC(C)(C)CN[C@@H](C)c1cc(Br)c(F)cc1O	756644536	BAZFCOUEVHDRDN-QMMMGPOBSA-N	320.202	3.369	10	20	DGCD	
O=C(Nc1cnn(-c2ccccc2F)c1)c1cc(O)cs1	755870304	BUQAGFACEWNBPU-UHFFFAOYSA-N	303.318	3.031	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccccc1	863165484	BHUPLISENNXKMW-GUDVDZBRSA-N	324.424	3.278	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCS1	769447588	SNBWKBLCYAGOIF-NSHDSACASA-N	316.810	3.281	10	20	DGCD	
CCC[C@H](C)[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768464131	ZYSOYWKFQHXDMQ-YLQAJVPDSA-N	305.418	3.219	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc3ccsc3[nH]2)c1	761982469	LSNYKVQUCYJFIR-VIFPVBQESA-N	316.382	3.435	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2[nH]ncc12	769561895	FTODYGPRMRHLRG-UHFFFAOYSA-N	321.380	3.077	10	20	DGCD	
CCOC(=O)/C(=C/c1cnc(C2CCC2)s1)c1nccn1C	760265514	PCNAYCGMXMFPMV-UKTHLTGXSA-N	317.414	3.248	10	20	DGCD	
CO[C@@]1(C(F)(F)F)CCCN(Cc2c(C)cccc2O)C1	877460687	SDRAIKNIWQGZRY-AWEZNQCLSA-N	303.324	3.244	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3CCC[C@H]3OC)CC2)cc1	775420487	XSLDJRPBJMAQMM-HNAYVOBHSA-N	318.461	3.069	10	20	DGCD	
Cn1ccc2c(NC(=O)/C=C\c3ccc(O)c(O)c3)cccc21	779513404	GYHUFPPUYYEOGE-VURMDHGXSA-N	308.337	3.241	10	20	DGCD	
CCCN(CCC)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775834180	LEIXCONQSVTPRH-HNNXBMFYSA-N	305.466	3.052	10	20	DGCD	
C[C@H]1C[C@H](C)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876525965	NYAHLDBVEGJARN-HOTGVXAUSA-N	302.462	3.126	10	20	DGCD	
CC1CCC(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)CC1	775835398	YBLISCHSOYAJIX-CKDBGZEDSA-N	317.477	3.098	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1N(C)C	776163397	AOEHKTQNGPCXEB-BHIYHBOVSA-N	314.473	3.498	10	20	DGCD	
C[C@H](Nc1nccnc1Cl)c1ccc(N2CCOCC2)cc1	892025020	JLGJULYLUQIGKE-LBPRGKRZSA-N	318.808	3.140	10	20	DGCD	
COCc1csc(CNCc2cc(C)cc(OC)c2O)c1	895269221	CEYLRNLBYWGHGL-UHFFFAOYSA-N	307.415	3.207	10	20	DGCD	
CCOc1ccccc1N(C)Cc1ccc(OC)c(OC)c1O	893854495	AOSHZUWLBPZENI-UHFFFAOYSA-N	317.385	3.445	10	20	DGCD	
CSC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1	786953156	HPXLUVYQIGAAPD-UHFFFAOYSA-N	304.459	3.189	10	20	DGCD	
CCn1ncnc1CN[C@H](C)c1ccc(N2CCCCC2)cc1	794840477	IQEREKRZYNIECR-OAHLLOKOSA-N	313.449	3.139	10	20	DGCD	
C/C(=C/Cl)CSCC(=O)NCc1ccc(N(C)C)cc1	797811776	PAEQWCOFVDQIDE-WQLSENKSSA-N	312.866	3.245	10	20	DGCD	
CS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1	1319082096	NKLXTTXZPMTQKP-CVEARBPZSA-N	321.490	3.178	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@@H]2CCOC2)c1	1318043575	YIAUEUFCIQOYGD-INIZCTEOSA-N	312.413	3.169	10	20	DGCD	
CCOC1CC(CCNCc2cc(F)c(N(C)C)cc2F)C1	1328701684	DNUSFEXGRXSSQI-UHFFFAOYSA-N	312.404	3.326	10	20	DGCD	
COCCn1c(C)c(C)c2cc(-c3nnc(COC)o3)ccc21	1326309144	LCBUJVBANYBRQV-UHFFFAOYSA-N	315.373	3.101	10	20	DGCD	
CO[C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1338688495	ULZYVUPPZVDBHJ-ROUUACIJSA-N	316.445	3.059	10	20	DGCD	
CC(C)C[C@H]1CCN(c2nnc(-c3sccc3O)n2C)C1	1338085661	AQPLNUPHXZHGBO-LLVKDONJSA-N	306.435	3.122	10	20	DGCD	
O=C(O)c1sc(NCc2cc(Cl)ccc2O)nc1Cl	1609007576	ZEOYTSOKMPPUTH-UHFFFAOYSA-N	319.169	3.466	10	20	DGCD	
CN(C)c1ccc(/C=C/CNCc2cccc(C(=O)O)c2)cc1	1598314252	JZPDBTLWGXMTPR-GQCTYLIASA-N	310.397	3.254	10	20	DGCD	
Cc1ccc2cc(CNCc3ccc(C(=O)O)cc3O)ccc2n1	1777442540	FIYFWEDLTBIVJD-UHFFFAOYSA-N	322.364	3.237	10	20	DGCD	
CC1CCC(NCc2c(O)ccc(Cl)c2F)(C(=O)O)CC1	1776629307	XEPMGYXEGTYIEQ-UHFFFAOYSA-N	315.772	3.308	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)OC(C)(C)C	158049077	BQEHCUCIJRWYNH-HNNXBMFYSA-N	318.461	3.497	10	20	DGCD	
CC[C@H](C)[C@H](C)NC(=O)NCCCSc1nccs1	152774705	PJDKZUXFOTYZKE-QWRGUYRKSA-N	301.481	3.359	10	20	DGCD	
CCN(Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1	153672255	RWSICSQWVMPOAZ-UHFFFAOYSA-N	306.425	3.427	10	20	DGCD	
Clc1cnc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1	154696670	IAXMDHGLCQLKHG-UHFFFAOYSA-N	314.776	3.115	10	20	DGCD	
CCOC(=O)CC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	159062236	XKTGQWQBWKAIMD-UHFFFAOYSA-N	322.424	3.057	10	20	DGCD	
OCCc1ccc(NCc2cccc(Br)c2O)cc1	48797671	HGIMFZDIGFPENN-UHFFFAOYSA-N	322.202	3.302	10	20	DGCD	
CCN(Cc1ccc(Br)cc1O)C[C@H](C)OC	691681982	ZZEMAENAZRJSGE-JTQLQIEISA-N	302.212	3.012	10	20	DGCD	
CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cccc(O)c1O	24098819	FUGNHORNSUQBTO-KRWDZBQOSA-N	312.369	3.320	10	20	DGCD	
C[C@@H](C(=O)NCCC1=CCCCC1)N(C)Cc1ccccc1O	109773517	LIGRWXGZVMOQQM-HNNXBMFYSA-N	316.445	3.219	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)c3ccccc3)CC2)cc1	55877528	MEGSNTDKLDYZKP-UHFFFAOYSA-N	310.397	3.048	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccccc1F	115640490	QMXMOTFNWVOABF-UHFFFAOYSA-N	315.392	3.200	10	20	DGCD	
CCOc1cccc(CNc2cccc(OCCOC)c2)c1O	119753446	SHCQEANYMPHFIT-UHFFFAOYSA-N	317.385	3.428	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)[C@@H](c1ccccc1)N(C)C	185678843	VOVAQOYIVXMHTK-QRWLVFNGSA-N	310.441	3.403	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@H](C)c1cc2c(cc1O)CCCC2	185511649	UCYNBXSPWZZTNT-BWACUDIHSA-N	309.475	3.034	10	20	DGCD	
CCC[C@@H](C)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	187724637	PLMQBFWXQGFUMF-CQSZACIVSA-N	322.449	3.023	10	20	DGCD	
CCCc1csc(NC(=O)NCc2cccc(OC)c2O)n1	180670488	WOFYUEVPIWWGIC-UHFFFAOYSA-N	321.402	3.132	10	20	DGCD	
Oc1ccc(F)cc1CNC1(c2cccc(F)c2)CCOCC1	180806133	AYMQSIQQRHBNDG-UHFFFAOYSA-N	319.351	3.466	10	20	DGCD	
COc1ccc(OCCN[C@H](C)c2cc(OC)ccc2O)cc1	182383763	VMYZIAIRMXVMGS-CYBMUJFWSA-N	317.385	3.139	10	20	DGCD	
COc1ccccc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C	187059075	JSYMWYRAVORBLA-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
CCOc1cccc(CN(C)C[C@@H](C)c2nccs2)c1O	183262492	GPABVWIZPSCYHJ-GFCCVEGCSA-N	306.431	3.483	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)N[C@H](C)c1cc(F)ccc1O	191564953	XAMKVCDYHJRKJR-CJNGLKHVSA-N	303.377	3.094	10	20	DGCD	
CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C12CCCCC2	236872557	VRQVVAZDYYZDHC-IAGOWNOFSA-N	316.445	3.055	10	20	DGCD	
Cc1cccc(C)c1OC[C@H](C)NC(=O)Cc1ccc(N)cc1	262626199	IWKIYMCJEQTYSC-HNNXBMFYSA-N	312.413	3.012	10	20	DGCD	
Cc1ccncc1CN(Cc1ccccc1O)C[C@H]1CCCO1	269673336	YAVCCZBSLAWQPX-GOSISDBHSA-N	312.413	3.277	10	20	DGCD	
O=C(C1=CCCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	276137747	CUDJQKHKCBVOTL-KRWDZBQOSA-N	315.413	3.400	10	20	DGCD	
COc1cc2c(cc1N[C@@H](C)c1ccccc1O)NC(=O)CC2	274435710	WIZWXIJNQNCKAP-NSHDSACASA-N	312.369	3.459	10	20	DGCD	
CN(C)c1ccc(CNC[C@]2(C)CCO[C@H]2C2CC2)cc1F	368765181	MPOJKAWRUFNOAH-ROUUACIJSA-N	306.425	3.187	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCn4nccc43)c2C)c1	367649283	RGCUBVRQWKUXEZ-UHFFFAOYSA-N	320.396	3.259	10	20	DGCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCO1	272351378	QVFRFVLAENVMBQ-DOTOQJQBSA-N	320.433	3.175	10	20	DGCD	
COCCCN(Cc1ccncc1)Cc1cc(C)ccc1O	289453897	NLSBHRBLVRVBCT-UHFFFAOYSA-N	300.402	3.134	10	20	DGCD	
CC[C@H](NC[C@H](O)c1cccc(OC)c1)c1ccc(C)cc1O	280126258	ORETTXZTZBXNQP-HKUYNNGSSA-N	315.413	3.484	10	20	DGCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CCC(F)(F)CC1	291626851	AERRPXMUPNNFMV-HWKANZROSA-N	311.328	3.147	10	20	DGCD	
CNc1c(Cl)ncnc1NCc1c(O)ccc2c1CCCC2	811808680	OEXRSLBUUPNTRX-UHFFFAOYSA-N	318.808	3.368	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@@H](C)c2ccc(F)cc2O)s1	818355875	KJRJERYOXDVQRX-IUCAKERBSA-N	324.377	3.186	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCc2cn3c(n2)CCCC3)c(O)c1	815558408	BVZWVCUVFUOMEC-HNNXBMFYSA-N	313.445	3.435	10	20	DGCD	
CCC[C@H](C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	822580159	QXBYJLAZPYHJQZ-GJZGRUSLSA-N	319.449	3.009	10	20	DGCD	
OC[C@@H](C1CC1)[C@@H](NCc1cc(Cl)c(F)cc1O)C1CC1	824844792	CTYJYECXPKGJCG-LRDDRELGSA-N	313.800	3.071	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC(Cc3noc(C)n3)CC2)c1	905735520	USWZOEGDZFYNJE-UHFFFAOYSA-N	315.417	3.155	10	20	DGCD	
C[C@@H](CCC[C@@H](C)NCc1ccc2c(c1)CCCO2)C(=O)O	900022592	JUXOGUDELCCCQM-UONOGXRCSA-N	305.418	3.381	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)COC2CCCC2)cc1F	731347509	ZSWJYZSJWJFNLT-UHFFFAOYSA-N	322.424	3.247	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)Cc2ncc[nH]2)c1	731880619	RRZKRTVZWVCJPT-UHFFFAOYSA-N	322.412	3.398	10	20	DGCD	
COc1ccc2cc(NC(=O)c3cc(O)cs3)ccc2n1	732284641	VQHSGMGGKIEDIW-UHFFFAOYSA-N	300.339	3.263	10	20	DGCD	
CCCCCC[C@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832274425	SZFJHDYMBHZLEX-MAUKXSAKSA-N	319.493	3.475	10	20	DGCD	
O=C(NCc1ccccc1O)C1(c2cccc(Cl)c2)CC1	748346153	NTLSACMPXCQNRY-UHFFFAOYSA-N	301.773	3.394	10	20	DGCD	
Nc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1	841302326	SXSKOFRKZAERPM-SFHVURJKSA-N	324.428	3.227	10	20	DGCD	
COc1cccc([C@H](C)NCc2cn3c(C)cccc3n2)c1O	846144110	IAOWNYMYTMNREJ-ZDUSSCGKSA-N	311.385	3.208	10	20	DGCD	
Nc1ccc(NC(=O)N2CC[C@]3(CCc4ccccc4O3)C2)cc1	841300594	WTVCAOWKWDYIQZ-LJQANCHMSA-N	323.396	3.270	10	20	DGCD	
CC[C@@H](NCc1cc(C2CC2)nn1C)c1ccc(F)cc1O	927102538	SLBDXTDEUWBDDF-OAHLLOKOSA-N	303.381	3.383	10	20	DGCD	
CC(=O)N(C)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1	922283448	AJJBSGMTWKHIMC-UHFFFAOYSA-N	324.424	3.284	10	20	DGCD	
CN1Cc2ccccc2[C@@H](NCc2ccc3c(c2)CCCO3)C1	921934529	DZASHRWUAMIVER-IBGZPJMESA-N	308.425	3.288	10	20	DGCD	
COC(=O)[C@@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@H]1C	755939341	YVNFRBLYCOYDRR-CZUORRHYSA-N	305.418	3.065	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(F)c(C)c2)c1	756367170	XFUMYAFHNZTNKU-GFCCVEGCSA-N	317.360	3.477	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@](O)(c3ccccc3)C2)cc1	859588511	IWANKTZQCBTVLB-HXUWFJFHSA-N	310.441	3.236	10	20	DGCD	
CCOc1ccc(CNCC(C)(C)C(O)(CC)CC)c(O)c1	850353857	ODBCRVCPOKHOTC-UHFFFAOYSA-N	309.450	3.458	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(C)n1-c1ccccc1	863165483	BHUPLISENNXKMW-CEXWTWQISA-N	324.424	3.278	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCc3c(O)cccc32)c1	862757179	KFFWWSKTOHVUHZ-MRXNPFEDSA-N	311.381	3.143	10	20	DGCD	
C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(F)cc(F)c1O	768237335	JOXGOCVYOZOOOZ-CWAOCDLLSA-N	309.356	3.279	10	20	DGCD	
CC[C@@H](Oc1ccccc1F)C(=O)NCc1cc(C)ccc1O	862758152	QJDQTNHPHOGREB-MRXNPFEDSA-N	317.360	3.314	10	20	DGCD	
CC(C)CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761003097	HLTLPNAHNQZMQB-UHFFFAOYSA-N	324.808	3.246	10	20	DGCD	
CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1	769523392	ANUVLONDPVFYRF-INIZCTEOSA-N	318.461	3.449	10	20	DGCD	
CCOc1ccc(N2CCN([C@@H](C)c3cccnc3)CC2)cc1	1116418276	UTYVEIOUAPXDCD-INIZCTEOSA-N	311.429	3.364	10	20	DGCD	
COc1cccc2c1OC[C@@H](NCc1cccc(Cl)c1O)C2	776172670	SILRFKXYVJLETG-ZDUSSCGKSA-N	319.788	3.148	10	20	DGCD	
C[C@H](NC(=O)c1ccc2nc[nH]c2c1)c1ccc(N(C)C)cc1	776270382	RQXDWWDAOIYGOG-LBPRGKRZSA-N	308.385	3.120	10	20	DGCD	
C[C@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(N(C)C)cc1	773080757	NCESALLWRYLRBC-RDJZCZTQSA-N	318.461	3.131	10	20	DGCD	
COc1cc(N(C)Cc2ccc(N3CCCCC3)cc2)ncn1	771952776	UOFZYWOBAJWTET-UHFFFAOYSA-N	312.417	3.112	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)s1	773748528	LMZCYOMMGPVULB-VIFPVBQESA-N	305.399	3.137	10	20	DGCD	
CC[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1O	774964001	MOWITFDTXHGWTB-WCQYABFASA-N	308.378	3.367	10	20	DGCD	
O=C(OCc1csc(-c2ccco2)n1)c1cccc(O)c1O	776282329	QLRKEGRVVGYMFP-UHFFFAOYSA-N	317.322	3.171	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(C)cc2)c(O)c1OC	891474139	MCYNUPWKXOBLRC-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
Cc1ccc2nc(CNCc3c(O)ccc(Cl)c3F)cn2c1	790959077	DTHLRFQRHACDMM-UHFFFAOYSA-N	319.767	3.431	10	20	DGCD	
CCCN1C(=O)N(Cc2ccc(N(CC)CC)cc2)C(=O)[C@@H]1C	794771742	JSVZGMWQDCCOHH-AWEZNQCLSA-N	317.433	3.096	10	20	DGCD	
CN(C)c1ccc(OCc2cccc(Br)n2)cc1	793853897	JIRJNCHREJYXAS-UHFFFAOYSA-N	307.191	3.489	10	20	DGCD	
CC(C)CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1	1324716996	VKRHAKQKMZXANK-UHFFFAOYSA-N	319.468	3.198	10	20	DGCD	
CCCN1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1321386464	DYJWLKSEKAMYDH-QAPCUYQASA-N	317.477	3.194	10	20	DGCD	
Cc1cc(Cl)cc(CN2CCC3(CC2)C[C@@H]3C(=O)O)c1O	1607655730	HGEQKDJIQHYDKH-CYBMUJFWSA-N	309.793	3.041	10	20	DGCD	
O=C(O)c1ccc(CNCc2ccc3c(c2)CCCO3)c(F)c1	1602348739	XIASQQFNGZLWPS-UHFFFAOYSA-N	315.344	3.139	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C(=O)O)c2ccccc2F)cc1Cl	1607698720	DUEDDUSNKSZFGX-OAHLLOKOSA-N	323.751	3.409	10	20	DGCD	
CC[C@H](CC(F)(F)F)N[C@@H](C)c1cc(C(=O)O)ccc1O	1604983745	MVZUOTGZAKAFKF-WCBMZHEXSA-N	305.296	3.472	10	20	DGCD	
Cc1cccc(NC(=O)[C@@H](C)Sc2ncc(C(=O)O)s2)c1	1600540734	NOEPFTJCTFXHID-SECBINFHSA-N	322.411	3.269	10	20	DGCD	
Cc1cc(C)cc([C@@H](NCc2cc(F)ccc2O)C(=O)O)c1	1610456235	SMPNFHOCNIQPAF-MRXNPFEDSA-N	303.333	3.064	10	20	DGCD	
CC[C@H](CNC(=O)[C@@H]1C[C@H]1CC)NCc1ccc(OC)c(C)c1	1753485724	ALYACVRJEMAPEW-BRWVUGGUSA-N	318.461	3.034	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)C2CCCCC2)cc1	1596194812	RYYOCXWVBGRVGE-KRWDZBQOSA-N	304.434	3.266	10	20	DGCD	
C[C@@H]1CCC[C@@]1(NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1776636683	ZYGZVNVOMZQTSU-CLAHSXSESA-N	318.200	3.432	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccn1)c1ccc(N2CCOCC2)cc1	152308538	WIOMOSBVIUSWJW-JKSUJKDBSA-N	311.429	3.330	10	20	DGCD	
C[C@H](N[C@H](C)c1cncs1)c1ccc(N2CCOCC2)cc1	155303856	KMENGOQLUMQJMJ-UONOGXRCSA-N	317.458	3.392	10	20	DGCD	
COCCOC[C@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)C1	173397734	GPGQMOJRFOSVEA-INIZCTEOSA-N	321.461	3.309	10	20	DGCD	
CCCCN(C)CC1CCN(Cc2cc(F)ccc2O)CC1	179932002	VUIODEJLJMDHSD-UHFFFAOYSA-N	308.441	3.475	10	20	DGCD	
O=C(c1cccc2c1CCN2)N1C[C@@H]2CCCN2c2ccccc21	1341569857	AAHNKIZIDLGKCD-AWEZNQCLSA-N	319.408	3.284	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC3(CCCC3)C2)cc1F	174442804	NRNKTFLQTNBVAI-UHFFFAOYSA-N	319.424	3.367	10	20	DGCD	
CN1CCCc2cc(CNc3nc(C4CC4)ns3)ccc21	301522089	NVUCEJSWDBHVSO-UHFFFAOYSA-N	300.431	3.410	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2ccccc2O)cc1	171260438	AVROVWPEROIKJK-UHFFFAOYSA-N	312.413	3.097	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)c3ccc(C)cc3)C2)cc1	62574872	GWVGUMXJDCYSFP-MRXNPFEDSA-N	324.424	3.260	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2nccc(C(F)(F)F)n2)c1	301177479	GPKQUCQGSMNMDR-QMMMGPOBSA-N	313.279	3.383	10	20	DGCD	
COCCn1c(NCc2cc(C)ccc2O)nc2ccccc21	185850182	GIFSNMFTDCLSQU-UHFFFAOYSA-N	311.385	3.309	10	20	DGCD	
COCCCCCNC1CCN(c2ccc(OC)cc2)CC1	122705697	OGDOEPZDYHGLRQ-UHFFFAOYSA-N	306.450	3.070	10	20	DGCD	
C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1	182946728	DITPEZRQHCILOP-AWEZNQCLSA-N	310.397	3.282	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]3CCC[C@H]32)cc1F	73915814	UFXRULGUWBASAK-GDBMZVCRSA-N	319.424	3.366	10	20	DGCD	
Cc1ccccc1C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1	180740789	KUTYCGKBOHPEIF-VQHVLOKHSA-N	323.392	3.267	10	20	DGCD	
Cc1cc(NC(=O)CSc2nccs2)n(C(C)(C)C)n1	48876585	VWTRQPZNTQOYRD-UHFFFAOYSA-N	310.448	3.134	10	20	DGCD	
Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(F)c(F)c2O)cc1	191213087	GFJLRZHTXGULPW-NHYWBVRUSA-N	307.340	3.363	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)c1nc(C(C)(C)C)cs1	237659565	WLJGLUKZQMOPJK-NSHDSACASA-N	317.458	3.443	10	20	DGCD	
COc1ccc(F)cc1NC(=O)N(C)Cc1ccccc1O	92107971	JTOPLGPUKFGGKG-UHFFFAOYSA-N	304.321	3.204	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)C(C)C)CC2)cc1	363529865	KIDUJCXDLKSJGE-HNNXBMFYSA-N	304.434	3.026	10	20	DGCD	
CCN(CC)c1ccc(CNCC2=CCN(C)CC2)cc1F	271780138	DKZKOINPMZEXDF-UHFFFAOYSA-N	305.441	3.023	10	20	DGCD	
CC(C)[C@@]1(CO)CCN(Cc2c(O)ccc(Cl)c2F)C1	378137482	YZLTZZKSTNUHBI-HNNXBMFYSA-N	301.789	3.025	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CC[S@]1=O	277779328	WOEOSHZJRSNSEW-KSFYIVLOSA-N	320.502	3.020	10	20	DGCD	
Cc1cscc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	281257423	FMIRCCBDILRNAW-JTQLQIEISA-N	306.387	3.220	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(C(F)(F)F)ns1	804605740	WAMVZIBQXCVFDD-LURJTMIESA-N	319.308	3.011	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc(Br)ccc1O)CN(C)C	293759973	RZSGMAYRMHFULJ-WDEREUQCSA-N	315.255	3.003	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCCO[C@H]2CCOC2)c1O	808702133	SGUGSJUTNZIMRS-JSGCOSHPSA-N	313.825	3.200	10	20	DGCD	
CCN(CC)c1ccc(CN(C)c2nnc(C3CC3)n2C)cc1	800724489	RJLOXHILARVNLS-UHFFFAOYSA-N	313.449	3.175	10	20	DGCD	
CO[C@@H](C)CN(C)Cc1ccc(N(C)C)cc1C(F)(F)F	809718726	XMFGMLXXRRNRLY-NSHDSACASA-N	304.356	3.238	10	20	DGCD	
OC[C@H]1Cc2ccccc2N(Cc2cc(Cl)ccc2O)C1	814169827	NDWYCFGOXBBPKS-LBPRGKRZSA-N	303.789	3.217	10	20	DGCD	
C[C@@H]1C[C@H](C(=O)O)CN(Cc2ccc(N3CCCCC3)cc2)C1	817881999	TXLUJALTDATQPD-WBVHZDCISA-N	316.445	3.220	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC[C@H]1CCOC1=O	817299131	VNKPZOOUJICHIT-GOEBONIOSA-N	317.429	3.283	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@@H](n4cccn4)C3)c2c1	812294420	MNOHEMDDPLBSGN-OAHLLOKOSA-N	323.396	3.198	10	20	DGCD	
CN1CC[C@@H]2[C@@H](CCCN2Cc2cc(Cl)c(F)cc2O)C1	816611921	AJFHRZIIZQOHTK-XHDPSFHLSA-N	312.816	3.101	10	20	DGCD	
CO[C@H](CN(Cc1ccco1)Cc1ccccc1O)C1CC1	822740918	UZPSPELZTWEMOH-GOSISDBHSA-N	301.386	3.412	10	20	DGCD	
CCc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)n1	824983439	WMAFQCBXRFQLBO-UHFFFAOYSA-N	309.413	3.174	10	20	DGCD	
COc1cc(CN2CCC[C@H](O)CC2)c(O)c(C(C)(C)C)c1	826023858	IXXCLCFHRVYUMW-AWEZNQCLSA-N	307.434	3.045	10	20	DGCD	
Cc1ccc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)c(O)c1O	837192037	QGYLDWMUIYYHSK-MRXNPFEDSA-N	303.402	3.447	10	20	DGCD	
O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1cc(O)cs1	732276994	ZZDUGBKIDVHQCD-GFCCVEGCSA-N	307.346	3.237	10	20	DGCD	
CCC[C@H]1CCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	837831616	HBPPCLHANMBNBA-AAEUAGOBSA-N	306.358	3.040	10	20	DGCD	
CC(=O)c1ccc(CC(=O)NCc2ccc(N(C)C)cc2C)cc1	734405567	SVVUIPXFCIMAHP-UHFFFAOYSA-N	324.424	3.123	10	20	DGCD	
CCN(CC)C[C@@H]1CCN(Cc2c(O)ccc3ccncc23)C1	743387915	PLSNRZGUKQXPAA-HNNXBMFYSA-N	313.445	3.104	10	20	DGCD	
Cc1cc(-c2nc(Cc3ccc(N)cc3)no2)nn1[C@@H](C)C1CC1	843159165	LVVMVLXBHYFSKT-LBPRGKRZSA-N	323.400	3.386	10	20	DGCD	
C[C@@H](NCc1ccc(CN)cc1F)c1cc(Cl)ccc1O	844922716	CYEQLHLTXMZUMQ-SNVBAGLBSA-N	308.784	3.494	10	20	DGCD	
CC[C@H](N[C@H](C)c1ccccc1O)C(=O)NCc1cccs1	842907924	IJPOVEKZYUSWRF-DOMZBBRYSA-N	318.442	3.199	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cc(F)ncc1F	840975083	CNTROTOYMAALSA-ZDUSSCGKSA-N	319.399	3.455	10	20	DGCD	
CC(C)n1cc([C@H](C)NCCCSc2nccs2)nn1	925104367	XSTAWTCHPTXMME-NSHDSACASA-N	311.480	3.149	10	20	DGCD	
Cc1cc(O)c(CNC[C@H]2CCCN2CC(F)(F)F)cc1C	922708989	OPRFGZFYVIPLLQ-CQSZACIVSA-N	316.367	3.125	10	20	DGCD	
Cc1ccc2c(c1)CN(C(=O)NCc1ccc(N(C)C)cc1)CC2	853244856	QDZKQLRZYQKCRG-UHFFFAOYSA-N	323.440	3.329	10	20	DGCD	
COc1ccc2c(c1)OC[C@@H](N[C@@H](C)c1cc(F)ccc1O)C2	756774907	MHQHJKDBRNNKEE-FZMZJTMJSA-N	317.360	3.194	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1C	850417194	PBBWFWQHRMJSCX-CQSZACIVSA-N	322.449	3.354	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(O)c1	931146636	OIGCNBAUDNTOEQ-LBPRGKRZSA-N	316.376	3.017	10	20	DGCD	
C[C@@H](NCCOc1cccnc1)c1cc2c(cc1O)CCCC2	756571659	IGIMTHRBOAUGDA-CQSZACIVSA-N	312.413	3.396	10	20	DGCD	
CCC[C@@H](OCC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	862002690	VPSFOSGVELFPLM-CRAIPNDOSA-N	320.477	3.313	10	20	DGCD	
CC[C@@H]1CCCCN1CCNC(=O)N[C@H](C)c1ccccc1O	868249038	IJHRRSHCKNNHLV-HUUCEWRRSA-N	319.449	3.017	10	20	DGCD	
CC(C)CC1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768465162	XXBZBZQNKFBGKK-QGZVFWFLSA-N	305.418	3.076	10	20	DGCD	
CCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@@H](CC)C1	1037758909	KZOHLNFUYNBICD-IRXDYDNUSA-N	318.461	3.130	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NOCC(F)(F)F	766771519	MRMXJWJPCFIQNT-UHFFFAOYSA-N	318.320	3.379	10	20	DGCD	
CC[C@H](N[C@H](C)[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1	866465791	VKIYWPRTXUYCPQ-DDTOSNHZSA-N	304.356	3.105	10	20	DGCD	
COc1ccc(N(C)Cc2cccc(OC)c2OC)cc1OC	761220557	GSAVFIHFSTYBMM-UHFFFAOYSA-N	317.385	3.357	10	20	DGCD	
Cc1cccc2c1C(=O)N[C@@H](c1cc(Cl)c(F)cc1O)N2	877848597	TYOKDPBDQIDAIB-AWEZNQCLSA-N	306.724	3.347	10	20	DGCD	
CC(C)C[C@H](C)N(C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775837451	SRCBKJJVHOJDGK-HOTGVXAUSA-N	319.493	3.296	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1O	774943462	ULELQFGZEKCCDG-MNXVOIDGSA-N	320.389	3.223	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3cc(C4CC4)ncn3)C2)cc1	882480139	NHUAOTIHUVXRHJ-AWEZNQCLSA-N	324.428	3.301	10	20	DGCD	
C[C@]1(CNC(=O)c2cc(O)cs2)CCCc2ccccc21	775619519	YEDORGLXGBBTPM-QGZVFWFLSA-N	301.411	3.478	10	20	DGCD	
CN(C)c1ccc(CNc2ncn(-c3ccccc3)n2)cc1F	788452359	YIQVGMUBJDCTQK-UHFFFAOYSA-N	311.364	3.085	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)C=C(C)C)cc1C	1133587188	RWTUUHAOSVQFDA-JKSUJKDBSA-N	318.461	3.343	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC([C@H]2CCCCO2)CC1	895280112	OIITXRSWGKPHJV-MRXNPFEDSA-N	311.372	3.452	10	20	DGCD	
COc1ccc(CN2Cc3ccccc3C[C@@H]2C)c(O)c1OC	892112118	PNNBPNIMHDIHMG-ZDUSSCGKSA-N	313.397	3.356	10	20	DGCD	
COC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1C	787421492	SGNGOPDWTUHEML-QAPCUYQASA-N	316.445	3.060	10	20	DGCD	
Cc1ccc(C[C@H](CO)NCc2cc(Cl)cc(F)c2O)cc1	786578829	JHSUWIDLAOYBNZ-OAHLLOKOSA-N	323.795	3.186	10	20	DGCD	
COc1ccc(CN[C@H]2CCO[C@H](CC(C)C)C2)c(O)c1OC	893320649	SDENPDXBEBWFDC-LSDHHAIUSA-N	323.433	3.093	10	20	DGCD	
OCC1(NCc2ccc3c(c2)CCN3Cc2ccccc2)CCC1	796319360	KOHQVQOKLUUMMI-UHFFFAOYSA-N	322.452	3.254	10	20	DGCD	
COC[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C1CC1	793022543	QLOZBADIFAYOAT-HNNXBMFYSA-N	316.367	3.286	10	20	DGCD	
CC[C@@H](NCCC1(O)CCOCC1)c1cc(Cl)ccc1O	797029850	BIZQUMQKASSZOE-CQSZACIVSA-N	313.825	3.018	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc(C[S@](C)=O)cc2)cc1C	796526645	OYBPNWYAHTTXSK-QFIPXVFZSA-N	317.454	3.177	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2Cc3ccc(F)cc32)c1	793690009	RNOHJEXRLQQBLE-QLJPJBMISA-N	315.344	3.057	10	20	DGCD	
CCCCC(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089806450	WCXKHMLGKAFYCO-UHFFFAOYSA-N	305.397	3.054	10	20	DGCD	
COc1ccc(CNCCCC[C@@H](C)NC(=O)C2CC2)cc1C	1168710202	ARRIOLHVNDGRAE-OAHLLOKOSA-N	318.461	3.178	10	20	DGCD	
CCN(CC)C1CCN(Cc2c(O)ccc(Cl)c2F)CC1	1320716366	DLXAXBKOXXHRNN-UHFFFAOYSA-N	314.832	3.491	10	20	DGCD	
C[C@@H]1CC[C@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1	1321101276	QRFLBRLSGNFSFO-CVEARBPZSA-N	319.468	3.103	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@]2(C)CCO[C@H]2C2CC2)cc1F	1328688191	HCYYAZGYSLFSSI-DLBZAZTESA-N	310.388	3.078	10	20	DGCD	
CO[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1338688491	ULZYVUPPZVDBHJ-MSOLQXFVSA-N	316.445	3.059	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)O[C@@H](C)C(=O)O)c1C	1607870602	UFAFPKAQIVNKRB-ZDUSSCGKSA-N	301.342	3.032	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2CN)cc1	1579674296	PBCGJBBTKTWBHL-SFHVURJKSA-N	311.429	3.048	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cc(F)c(F)cc1C=O	1597772216	QJPLPXFUSUNBFM-UHFFFAOYSA-N	310.252	3.210	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)Cc2cc(C)cc(OC)c2O)C12CCC2	164512331	CQSSEINRYDDPJN-IRXDYDNUSA-N	319.445	3.489	10	20	DGCD	
CS[C@H](C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	152875748	XDMOSKQDGQTBDF-HIFRSBDPSA-N	323.458	3.041	10	20	DGCD	
C[C@H]1COC(C)(C)CN1Cc1cccc(Br)c1O	754155321	FQTWWWIEFXLKAV-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccccc2SC)c1O	104975239	WHVSDEUZUINYFE-UHFFFAOYSA-N	318.398	3.444	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1c[nH]c2cc(F)ccc12	101645687	JKNXZEVSLDLEOA-UHFFFAOYSA-N	312.344	3.214	10	20	DGCD	
CN1C(=O)/C(=C\c2cccc3c2OC(C)(C)C3)SC1=S	172417935	DJUVNECOKLTRCH-YRNVUSSQSA-N	305.424	3.231	10	20	DGCD	
CN1CCC(N2C(=O)/C(=C/c3ccsc3)SC2=S)CC1	63824286	UFFSJLMKHCXAMD-WQLSENKSSA-N	324.496	3.044	10	20	DGCD	
Cc1cc(O)c(CN2CCNC(=O)C[C@@H]2c2ccccc2)cc1C	122031234	CIGUSYWBRCSWEZ-GOSISDBHSA-N	324.424	3.072	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)SC1=S	35352485	NEMRAQFWEMNCDI-YRNVUSSQSA-N	308.384	3.124	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC2CCN(CC(F)(F)F)CC2)c1	185291156	WQEDZWUUXABZNS-LBPRGKRZSA-N	316.367	3.378	10	20	DGCD	
Oc1ccc(F)cc1CN(CCc1ccccc1)[C@H]1CCOC1	180262126	MHTUJGJGDLNYOM-SFHVURJKSA-N	315.388	3.365	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCOc3c(F)cccc32)c1	191120610	BDXVXUHADWDXGE-AWEZNQCLSA-N	318.304	3.053	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1	237921609	VQNQKJQYWVWSJW-UHFFFAOYSA-N	313.376	3.189	10	20	DGCD	
CC[C@@H](C)[C@@H](OC)C(=O)NCc1c(C)c2ccccc2n1C	357144357	AOIHDRJGQTXKGQ-SJKOYZFVSA-N	302.418	3.164	10	20	DGCD	
Oc1c(F)cccc1CNC[C@@H]1CCO[C@H]1c1ccccc1	277475184	MIZOQQDMXSLLMJ-YJBOKZPZSA-N	301.361	3.399	10	20	DGCD	
CC[C@@H](C)[C@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	278157889	OZRZMTVOHMZJJW-KSBSHMNSSA-N	316.188	3.047	10	20	DGCD	
Cn1ccc(/C=C/C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1	276838832	CIXAXHLFCPKSFI-GPAKFWEMSA-N	306.365	3.145	10	20	DGCD	
CCc1nc([C@@H]2CCCCN2Cc2cccc(OC)c2O)no1	371405076	XWEUCTYMESQTGW-ZDUSSCGKSA-N	317.389	3.073	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC(OC2CCCCC2)CC1	280622744	LALLFCIMOAXQBM-UHFFFAOYSA-N	319.401	3.052	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)N[C@@H](C)CN(C)C)c1O	287160495	TYOFUHPSHFAGPC-WDEREUQCSA-N	315.255	3.064	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCCC1(O)CCC1	817414134	GFRATPDKMHJUJU-UHFFFAOYSA-N	304.217	3.484	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)(C)[C@H]1C1CC1	812047079	DQNZFEFKTFRAPY-QGZVFWFLSA-N	315.461	3.391	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	816646256	ARNQCAPIVPSEPL-RAUXBKROSA-N	312.457	3.001	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3scnc3C)C2)cc1	818221384	LULADVRQGVXUPV-AWEZNQCLSA-N	317.458	3.076	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCO[C@@H]4C[C@H]43)c2C)c1	816900143	INXZHQDKYXXCGD-RTBURBONSA-N	324.424	3.324	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2c3ccccc3C[C@H]2O)cc1Cl	825354562	XGCYTTGZWODATM-SJORKVTESA-N	303.789	3.102	10	20	DGCD	
COc1cc(CN2CCC[C@H](CO)[C@H]2C)c(O)c(C(C)(C)C)c1	826123355	LHEQONBVCLSFCI-ZIAGYGMSSA-N	321.461	3.291	10	20	DGCD	
COC(=O)c1cnc(SCCOc2ccccc2C)s1	829692309	JFYXKBIJYMOJIA-UHFFFAOYSA-N	309.412	3.409	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1C[C@@H]2CCCN2Cc2ccccc21	902699814	SWMZVIZSZZCIDC-BBVFFXRHSA-N	319.408	3.106	10	20	DGCD	
C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCCC1	839144619	IHIBCLAXFQFOAB-CYBMUJFWSA-N	324.415	3.470	10	20	DGCD	
CCc1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)s1	734404058	DTVVARBGHNXGEJ-UHFFFAOYSA-N	317.458	3.318	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1nnc(CC2CCCC2)o1	905407630	GTQSGYRDIQGJOK-UHFFFAOYSA-N	309.316	3.398	10	20	DGCD	
CO[C@@H]1C[C@H](NCc2cc(Cl)cc(C(C)=O)c2O)C12CCC2	839189659	BHAKAHVSWZGGGG-LSDHHAIUSA-N	323.820	3.295	10	20	DGCD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCc2ccc(N)cc2)o1	832653129	QBPSPYBBPISCGM-CXAGYDPISA-N	312.413	3.277	10	20	DGCD	
COCC1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCCC1	834904705	BKDUHTRVQKUZFI-LBPRGKRZSA-N	308.378	3.158	10	20	DGCD	
Oc1ccc(CCNc2ccnc(-c3ccccc3)n2)cc1O	749286938	DCCZJEWKLRMNOY-UHFFFAOYSA-N	307.353	3.209	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccnn1CC(C)C	842682099	ZFQUQDNZVDGKBK-UHFFFAOYSA-N	300.450	3.203	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1nc(C(C)(C)C)no1	742390883	SUXDHXBJCQOQGO-NSHDSACASA-N	320.412	3.423	10	20	DGCD	
CC(C)NC(=O)[C@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1O	840889225	FRMJOAALPSYFBA-BDAKNGLRSA-N	319.232	3.263	10	20	DGCD	
C[C@H](CCc1ccsc1)NC[C@@H](N)c1ccc(N(C)C)cc1	841046139	WWMNZHAFQCMIFE-RDTXWAMCSA-N	317.502	3.425	10	20	DGCD	
COCc1cc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)ncn1	840384297	HBIWGCWQYGZZSK-AWEZNQCLSA-N	314.433	3.041	10	20	DGCD	
CCc1cccc(CNCc2cc([N+](=O)[O-])ccc2OC)c1O	848894658	GCFFJJWCCGCSCX-UHFFFAOYSA-N	316.357	3.161	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCCC[C@H]1C1OCCO1	740759306	XEBKHDXWLARHFF-KRWDZBQOSA-N	313.397	3.273	10	20	DGCD	
CCC1(CC)CN(C(=O)NCCc2ccc(N)cc2)CCS1	841960299	LHZFRAVBCQGMFD-UHFFFAOYSA-N	321.490	3.129	10	20	DGCD	
C[C@@H](NCCO[C@@H]1CCOC1)c1ccc2ccccc2c1O	927081680	VFOHQYWAJZINKO-UKRRQHHQSA-N	301.386	3.002	10	20	DGCD	
C[C@@H](c1ccncc1)N(C)Cc1ccc(N2CCN(C)CC2)cc1	757881350	FYSHCGXJGOUGJF-KRWDZBQOSA-N	324.472	3.026	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O	756710187	BUXUAQJUSYWULX-BONVTDFDSA-N	323.339	3.063	10	20	DGCD	
Cn1cnc2c(Sc3ncc(C(C)(C)C)s3)ncnc21	759716746	DTNDNDJFGYJWHQ-UHFFFAOYSA-N	305.432	3.269	10	20	DGCD	
CC1(C)C[C@@]1(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	851648266	ZIRSDHPFXFAKAV-QGZVFWFLSA-N	315.442	3.235	10	20	DGCD	
C[C@H](NCCOC1CCCCC1)c1cc([N+](=O)[O-])ccc1O	756490339	NSOUSDGGTHLHFN-LBPRGKRZSA-N	308.378	3.300	10	20	DGCD	
C[C@@H](COCC1CC1)NCc1c(O)cccc1Br	858183630	JFXJVSSJZDPUBT-JTQLQIEISA-N	314.223	3.059	10	20	DGCD	
CCN(CC)c1ccc(CN2CCOC3(CCC3)C2)cc1F	769482114	GYCSKOBZWCREFX-UHFFFAOYSA-N	306.425	3.427	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1	768979610	DHXKRYSQZWQYDX-KDURUIRLSA-N	321.468	3.321	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](CCO)C(F)(F)F	1119376003	KOKDQJGUHRCBOM-SCVCMEIPSA-N	303.324	3.152	10	20	DGCD	
Cc1ccc(CNc2ccc(C(N)=O)cc2OC(C)C)c(O)c1	877597115	ZZROIPVYTADQCX-UHFFFAOYSA-N	314.385	3.199	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)COC(C)(C)C)cc1	777915341	UJUWREXMGVNSCD-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(O)c1O	776351189	UXLHSLSCYJCCSA-GDBMZVCRSA-N	311.381	3.239	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCO[C@H](C)C2)cc1	776294006	LSSFPRSQTKSFHU-NVXWUHKLSA-N	318.461	3.306	10	20	DGCD	
Cn1cc(NC(=O)NCc2ccccc2O)c(-c2ccccc2)n1	779626022	FEDGQHKGLDOHAX-UHFFFAOYSA-N	322.368	3.114	10	20	DGCD	
CN(C)CCOc1ccc(NCc2cc(F)cc(F)c2O)cc1	883011164	MEDVXGZEKIWFCK-UHFFFAOYSA-N	322.355	3.223	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(F)c(OC)c2)c1	783306325	HBHTXZXTUJGRMA-JTQLQIEISA-N	319.332	3.500	10	20	DGCD	
CCO[C@@H](CCNC(=O)c1ccc(C)c(O)c1O)C1CCCC1	780964416	UKSMXRXNISZSOI-HNNXBMFYSA-N	321.417	3.121	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC(O)(c2ccccc2)CC1	894474820	YRUXULXYZJFFHQ-UHFFFAOYSA-N	319.351	3.154	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC1C[C@@H]2CC[C@H](C1)N2C	894939894	ORJLYBYGXOGWGT-XIHRNRATSA-N	315.505	3.207	10	20	DGCD	
COC(=O)C(C)(C)C(=O)CSc1ncc(C(C)(C)C)s1	795220972	NHOFWPWKWPQMTC-UHFFFAOYSA-N	315.460	3.301	10	20	DGCD	
CCOc1ccc(CN2CCC3(CCOCC3)CC2)c(O)c1	793625623	SJHBRWTYONSRRO-UHFFFAOYSA-N	305.418	3.184	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)c(O)c1O	792803936	XIBCWCTVQIZRGM-LBPRGKRZSA-N	317.389	3.462	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@@H](C)NC(=O)C=C(C)C)cc1C	1133587187	RWTUUHAOSVQFDA-HZPDHXFCSA-N	318.461	3.343	10	20	DGCD	
CC[C@]1(CO)CCCN(Cc2c(O)ccc(Cl)c2F)C1	792179717	LMGYXDMHDZYDCV-HNNXBMFYSA-N	301.789	3.169	10	20	DGCD	
CC1CCN([C@H](C)CNCc2c(O)ccc(Cl)c2F)CC1	790962790	SCCKINTYZWCJFG-GFCCVEGCSA-N	314.832	3.395	10	20	DGCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc(C)s1	792703304	SZIQXRPDXCDJDW-UHFFFAOYSA-N	315.441	3.285	10	20	DGCD	
Cc1ccccc1C(F)(F)C(=O)NCc1ccc(N(C)C)cc1	1319601922	TWKYHABAEGKHSR-UHFFFAOYSA-N	318.367	3.469	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H]3OCCC[C@H]3C1)CCCC2	1319687769	RVROMPLYGRKNNI-QFBILLFUSA-N	301.430	3.272	10	20	DGCD	
CN(C)c1cc(F)c(CNC(C)(C)C2CCOCC2)cc1F	1329732067	REANUANURXVFRQ-UHFFFAOYSA-N	312.404	3.326	10	20	DGCD	
C[C@@H]1CC[C@@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1	1321101278	QRFLBRLSGNFSFO-HZPDHXFCSA-N	319.468	3.103	10	20	DGCD	
Nc1ccc(CN2CCC(OCCc3ccccc3)CC2)cc1	1337834660	UMYVEDLQPBJTED-UHFFFAOYSA-N	310.441	3.493	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H](CO)Cc1ccco1	1337785005	INRJORRTRRNCAJ-FMKPAKJESA-N	315.413	3.283	10	20	DGCD	
CCCn1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)n1	1262619029	MZKGAYLVWJVRTO-CYBMUJFWSA-N	314.433	3.159	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCC[C@H]1c1ccccc1	1347234916	RXEOMUFWMXYMRX-HOTGVXAUSA-N	311.381	3.298	10	20	DGCD	
COc1cc(CN[C@@H]2CCCC[C@H]2CN)c(O)c(C(C)(C)C)c1	1579152679	AAJFETRPQHBMJS-SUMWQHHRSA-N	320.477	3.305	10	20	DGCD	
N[C@@H]1CC=C(C(=O)N(Cc2ccccc2F)c2ccccc2)C1	1580171113	GKDNQZFEPFDRHS-MRXNPFEDSA-N	310.372	3.406	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccccn1	158690050	PICPWLQLFBGRLB-OAHLLOKOSA-N	313.470	3.486	10	20	DGCD	
O=C(O)C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	86757487	GLLVVHMJLFLBEW-VIFPVBQESA-N	318.200	3.386	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCOC(F)(F)F	398216383	LMUACHXZCKRBEN-UHFFFAOYSA-N	304.095	3.325	10	20	DGCD	
Cn1c(=O)oc2ccc(NCc3c(O)cccc3Cl)cc21	128601840	SHGPKVHKEUCUKU-UHFFFAOYSA-N	304.733	3.103	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](OCCC(C)C)C2)c1O	177384077	IMWZWIKROCWXLX-MRXNPFEDSA-N	323.408	3.371	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCOc2ccc(Cl)cc21	172684165	YYRGEDSCIQGNMR-DAFODLJHSA-N	318.735	3.313	10	20	DGCD	
CC[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1nccs1	180802240	RVPJLMHMRMYXQX-YERXGYGTSA-N	318.398	3.009	10	20	DGCD	
Cc1cccc(CNC2CCC(O)(c3cccnc3)CC2)c1O	186459726	HZIAERFILBXKIG-UHFFFAOYSA-N	312.413	3.016	10	20	DGCD	
C[C@@H](NC[C@H](CCO)c1ccccc1)c1cc(F)ccc1O	185526397	PRBKLIVASOGXTL-HIFRSBDPSA-N	303.377	3.348	10	20	DGCD	
C[C@@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N(C)C)cc1	134786059	IXLYGSTUUNFSQQ-QCSYZSNVSA-N	300.446	3.361	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	132989576	MCKDXLWCCSJZPO-WBVHZDCISA-N	303.450	3.473	10	20	DGCD	
CCN(CCC(=O)OC)Cc1cc(Cl)cc(Cl)c1O	92380129	PYCZNQFLFLAGQQ-UHFFFAOYSA-N	306.189	3.084	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(N(C)C)cc1	90541854	XVWIDHYURJXJHZ-YXJHDRRASA-N	320.502	3.458	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(O)cc1	96968820	ICOHALXDLHZJOI-UHFFFAOYSA-N	312.413	3.049	10	20	DGCD	
OCCCSCCNCc1cc(-c2ccccc2)ccc1O	264394620	MZCOZPNAKHUSDV-UHFFFAOYSA-N	317.454	3.264	10	20	DGCD	
Cc1c(CN(Cc2ccc(N(C)C)cc2)C(C)C)cnn1C	268942403	SYUYOOFYUSQTRE-UHFFFAOYSA-N	300.450	3.205	10	20	DGCD	
C[C@@H](NCCN(C)Cc1ccccc1)c1ccc(F)cc1O	185111402	AJIVYVHCPXMZHG-CQSZACIVSA-N	302.393	3.314	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c(O)c1O	272717721	DRLXXYOAYWBVHC-CYBMUJFWSA-N	315.344	3.175	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc(Cl)ccc1O	376299101	AIQOYTBOBIYCPY-NORZTCDRSA-N	311.809	3.034	10	20	DGCD	
CO[C@H]1CCC[C@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	280252366	LVSXESWHSDAXMU-WMZOPIPTSA-N	318.461	3.306	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1cccn1C	283685925	NYOXJFYMMIYANZ-UHFFFAOYSA-N	315.417	3.243	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1F	373227184	JHVMTPZSOZXKED-OAHLLOKOSA-N	316.424	3.005	10	20	DGCD	
O=C(CSc1ncc([N+](=O)[O-])s1)OC1CCCCC1	281935426	OZXNXAFXHFNVKB-UHFFFAOYSA-N	302.377	3.019	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CC[C@H](O)CC2)c(C(F)(F)F)c1	280334927	QHRZIGUAIGNQAO-MQMHXKEQSA-N	316.367	3.165	10	20	DGCD	
CO[C@](C)(C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	291646341	FBCKMYDHVYXUFB-IBGZPJMESA-N	316.445	3.059	10	20	DGCD	
Cc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1	807841276	WVBVUAAIUVEYSB-UHFFFAOYSA-N	311.168	3.332	10	20	DGCD	
COc1ccc(N(C[C@@H](O)c2cccnc2)[C@H](C)C2CC2)cc1	294951322	MOIKPYOLIOQISP-AUUYWEPGSA-N	312.413	3.429	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	383586750	BCYHOFXFRMFCGL-PDCNKGEESA-N	304.346	3.317	10	20	DGCD	
Oc1cc(OCc2ccccc2)ccc1CNC[C@H]1CCCO1	295114568	VPIQYGJKCYYMTI-GOSISDBHSA-N	313.397	3.240	10	20	DGCD	
COCCCCc1cccnc1NCc1cc(OC)ccc1O	291123714	VFYXDBXHZFGQSI-UHFFFAOYSA-N	316.401	3.377	10	20	DGCD	
C[C@H]1C[C@@H](CO)CCN1Cc1ccc(N2CCCCC2)cc1	290004738	DFDCPAAIKVFXLZ-WMZOPIPTSA-N	302.462	3.270	10	20	DGCD	
CNC(=O)C1CCC(N[C@@H](C)c2cc(Cl)cc(C)c2O)CC1	808684488	PCCMOOGNRPHHJJ-DCBWTQNWSA-N	324.852	3.309	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2oc(C(C)C)nc2C)c1	815835616	ZFPUZVPMHSFWLM-JTQLQIEISA-N	318.373	3.312	10	20	DGCD	
C[C@@H](NC[C@]1(C)CCOC1)c1cccc(C(F)(F)F)c1O	815579184	HCSCNZDWIYHQAK-YGRLFVJLSA-N	303.324	3.488	10	20	DGCD	
CC1(C)CCC[C@]1(O)CNCc1cc(Cl)cc(F)c1O	816640306	CDWYKVSBFUMWHX-HNNXBMFYSA-N	301.789	3.216	10	20	DGCD	
CC[C@@H](N[C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1O	825142474	SHFQTPJLDGVZFE-MLGOLLRUSA-N	323.400	3.374	10	20	DGCD	
CCc1nocc1C(=O)NCc1ccc(N(CC)CC)cc1	822608701	WYDICDAOSYDOJD-UHFFFAOYSA-N	301.390	3.013	10	20	DGCD	
Oc1ccc(F)cc1CN1CC2(CCC2)[C@H]1C1CCOCC1	822529823	JTJTTZLJUSHRGD-QGZVFWFLSA-N	305.393	3.312	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCO[C@H](c3ccncc3)C2)cc1	824948870	VGPWWARZLKDWQR-MJGOQNOKSA-N	311.429	3.158	10	20	DGCD	
CC(C)C[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	838754557	KYRWTCZCYWEVBR-NVXWUHKLSA-N	303.450	3.329	10	20	DGCD	
CC(C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	918054809	VNIORZHMBLUOLR-UHFFFAOYSA-N	303.450	3.473	10	20	DGCD	
Nc1ccc(NC(=O)N2CC[C@@H](COc3ccccc3)C2)cc1	841295950	KMOMQMDSBWXOAT-CQSZACIVSA-N	311.385	3.202	10	20	DGCD	
C[C@]1(Cc2noc(Cc3ccc(N)cc3)n2)CC1(Cl)Cl	843239151	FDUSONIHKUGKKZ-ZDUSSCGKSA-N	312.200	3.369	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@](C)(O)c2ccc(F)cc2)c1O	846156242	CVBFDYJXEMLEHF-XIKOKIGWSA-N	319.376	3.098	10	20	DGCD	
CN(C)c1ccc(CN2CCNC[C@@H]2c2cccc(F)c2)cc1	843116976	JCWDASQFJHIKDJ-LJQANCHMSA-N	313.420	3.038	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)c(O)c1	749114592	FTKZPNAQOYUZHN-KPZWWZAWSA-N	319.376	3.142	10	20	DGCD	
COc1ccccc1C[C@@H](NC(=O)c1cc(O)cs1)C(C)C	747943352	GJWTYOKPUQWXIN-CQSZACIVSA-N	319.426	3.459	10	20	DGCD	
CCN(C)C(=O)CNc1cc2oc3ccccc3c2cc1OC	746091843	ZWWPBPITEUWORA-UHFFFAOYSA-N	312.369	3.485	10	20	DGCD	
COC[C@H](Cc1ccccc1)N[C@H](C)c1cccc(OC)c1O	846145068	JXJMEHGQDQNRDK-ZBFHGGJFSA-N	315.413	3.309	10	20	DGCD	
COc1cc(OC)c(CNCc2ccc(N(C)C)cc2)cc1F	845921362	OALGSHOAWXRNNR-UHFFFAOYSA-N	318.392	3.199	10	20	DGCD	
Oc1cccc(Cl)c1CNc1ccc2c(c1)CNCCO2	841082397	KQQBALVXMYGSDL-UHFFFAOYSA-N	304.777	3.140	10	20	DGCD	
CCS[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1	841850600	XQJNCCVDXDHZIB-JKSUJKDBSA-N	321.490	3.175	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCN(CC(F)F)C2)c2c(O)ccc(F)c21	841765369	RCBXEVXYDDIVRJ-FOGDFJRCSA-N	314.351	3.009	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@H](C3CCN(C)CC3)C2)c1	755777273	BFLJSLDFVRAUCD-KRWDZBQOSA-N	302.462	3.173	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)OC3CCCC3)cs2)cc1	751930958	KMYJGRSKUWFQGJ-UHFFFAOYSA-N	302.399	3.416	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCCS2)c1	753261448	IBWKYHDKWUPEER-YPMHNXCESA-N	324.446	3.047	10	20	DGCD	
CCC(CC)N=c1cc[nH]cc1NC(=O)c1cc(O)cs1	854578774	SZYHCSNIVKXPDY-UHFFFAOYSA-N	305.403	3.123	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC2C(C)(C)C2(C)C)c1	752021022	WHIASFPMSUASFB-JTQLQIEISA-N	306.406	3.196	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCOc1cccc(Cl)c1	761745569	LDFWXAMAKOVSRH-UHFFFAOYSA-N	319.788	3.473	10	20	DGCD	
COc1ccc(CNC(=S)Nc2ccccc2Cl)nc1	766512590	NYBRQHQQFUPKLH-UHFFFAOYSA-N	307.806	3.230	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)CC(F)(F)F)c1	768270423	AIGQPTHREQAEIN-DTWKUNHWSA-N	305.296	3.170	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@](O)(c3ccccc3)C2)cc1C	862482642	KMGVHUXILNJDNV-FQEVSTJZSA-N	311.425	3.493	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2C[C@@](C)(OC)C2(C)C)c1O	761206554	KWCNJZHLKWFZFC-XJKSGUPXSA-N	313.825	3.347	10	20	DGCD	
Cc1ccc2oc(C(=O)NCCc3ccc(O)c(O)c3)cc2c1	768903424	DZQITBDXFZWKCO-UHFFFAOYSA-N	311.337	3.125	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1	773757965	SPOUCSZEJCBGNZ-GJZGRUSLSA-N	316.367	3.030	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCc2ccc3c(c2)CCC3)c1	1118799191	NKCWTLNJSAGBCU-UHFFFAOYSA-N	310.397	3.189	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(OC)CCCCC2)cc1	771930037	LAQRBVTUHOKHBG-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
Cc1ccc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)c1	877389575	DLPHIMPSLWNSDX-OAHLLOKOSA-N	317.351	3.226	10	20	DGCD	
Cc1cccc(O)c1CNCc1ccccc1CN1CCCC1=O	876925510	JHIOZALBGQPXLX-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
Cc1ccc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(O)c1	877458808	DHRXFDMUEILYNS-DZGCQCFKSA-N	317.351	3.274	10	20	DGCD	
COc1cccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773013559	GWZDSPCHPPLDMY-CQSZACIVSA-N	312.413	3.181	10	20	DGCD	
C[C@@H]1CCC[C@H](CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1	773748258	IPMWGGRSQVBHHR-MCIONIFRSA-N	305.418	3.361	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cccc3c2CCCC3)ccc1O	776748074	VQBPAMIOMAUQMK-UHFFFAOYSA-N	317.410	3.380	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1c(O)cccc1F	886553894	XRDBRDPSOHHGOL-HWWQOWPSSA-N	311.422	3.237	10	20	DGCD	
CC(C)C(C)(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	784076884	HXJROGXVYYHYRE-OAHLLOKOSA-N	318.461	3.383	10	20	DGCD	
Oc1ccccc1CN1CC=C(c2ccc3c(c2)OCCO3)CC1	780781256	IWVZTFDVQZWLBV-UHFFFAOYSA-N	323.392	3.453	10	20	DGCD	
CC(C)[C@H](CN[C@H](C)c1cc(F)ccc1O)c1ccnn1C	788257567	AHHXEVZGESLKGL-DOMZBBRYSA-N	305.397	3.355	10	20	DGCD	
COc1ccc(CNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)c(O)c1	792876927	AWKKJVDWBRTGCG-IHRRRGAJSA-N	318.417	3.026	10	20	DGCD	
COCCCCCNCc1cc(Br)cc(F)c1O	715746540	RADMBMDHRJXTGY-UHFFFAOYSA-N	320.202	3.200	10	20	DGCD	
CCC[C@@](C)(O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792972737	BFWWVRGBTHYLDT-OAHLLOKOSA-N	318.383	3.412	10	20	DGCD	
CC(C)(C)OC(=O)NC1(CN[C@@H]2CCc3cccc(O)c32)CC1	903238725	URFJZDVAUQELOW-CYBMUJFWSA-N	318.417	3.026	10	20	DGCD	
CCOCc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1	177679760	YCFVSOWVTYTGNP-UHFFFAOYSA-N	301.342	3.195	10	20	DGCD	
CCc1ccc(CNC(=O)NCc2cccc(OC)c2O)s1	173956506	CJKFYSQCNGYUFZ-UHFFFAOYSA-N	320.414	3.024	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1	185164443	YFHVFKAGILHVRG-GJZGRUSLSA-N	310.397	3.157	10	20	DGCD	
CSCCCCCCNC(=O)/C=C/c1ccc(O)c(O)c1	184358881	YOEBMQBMZWMEQL-VQHVLOKHSA-N	309.431	3.151	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CSC(F)(F)F)cc1	79390622	HZBSUFWJXJMROF-UHFFFAOYSA-N	320.380	3.402	10	20	DGCD	
C[C@H](NC1CCC(O)(c2cccnc2)CC1)c1ccccc1O	186335184	GAUJTYLKILQYHW-ASFAAARLSA-N	312.413	3.268	10	20	DGCD	
CO[C@H]1C[C@@H](NCc2cccc(Br)c2O)C1(C)C	227830040	CDVGKJBIKDFXNC-NEPJUHHUSA-N	314.223	3.058	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C)c1nc(C)cc(O)n1	192607279	YGEGFORKTZDCPI-ZDUSSCGKSA-N	301.390	3.169	10	20	DGCD	
CCCc1[nH]ccc1C(=O)N1CCOc2cc(N(C)C)ccc21	421779791	ORQHJDFYTFSTHD-UHFFFAOYSA-N	313.401	3.072	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)C[C@@H]1C	130413799	SQVXDMYGPLFQAJ-XJKSGUPXSA-N	303.402	3.136	10	20	DGCD	
CCCCO[C@@H](C)C(=O)NCc1ccc(N(CC)CC)cc1	144993143	XAEBUSSOUFOBMG-HNNXBMFYSA-N	306.450	3.354	10	20	DGCD	
COc1ccc(N(Cc2ccco2)Cc2ccnn2C)cc1F	91073104	WFURLIMKQIJOSO-UHFFFAOYSA-N	315.348	3.368	10	20	DGCD	
CN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccccc1O	245824120	XHNCOTVHSFCCDD-NVXWUHKLSA-N	316.445	3.005	10	20	DGCD	
C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Cc1ccc(N)cc1	262626937	LKHKAXYQBQOUTG-CRAIPNDOSA-N	308.425	3.291	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](CO)Cc2ccc(F)cc2)cc1C	266242090	XSLIEOIEPSPHPR-MRXNPFEDSA-N	317.404	3.089	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC([C@@H]2CCOC2)CC1	365268604	ZDXUIGDYOPTUFI-GFCCVEGCSA-N	313.800	3.433	10	20	DGCD	
Cc1ccc([C@H](C)NCc2cccc(-n3cncn3)c2)c(O)c1	363870180	VZAMCFUWPHTVRF-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cnc([C@@H](C)O)s1	278989736	QFFMXEUGDSECKF-CYBMUJFWSA-N	319.474	3.285	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=C(C)OCCC1	270022757	FUHYBZMYFPSBSK-UHFFFAOYSA-N	302.418	3.186	10	20	DGCD	
OCC1(CNCc2ccc(N3CCCC3)cc2)CCCCC1	387570872	NOWSZFYRNCEKJK-UHFFFAOYSA-N	302.462	3.319	10	20	DGCD	
Nc1ccc(CNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1	297188860	LPKHVKUJQDNYEQ-UHFFFAOYSA-N	320.392	3.363	10	20	DGCD	
Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	803090162	WCXMMEIKTLCBDY-NSHDSACASA-N	317.385	3.484	10	20	DGCD	
CCN(CCCN1CCCC1)Cc1cc(Cl)cc(F)c1O	809749147	CBMUMHBUYQNEGY-UHFFFAOYSA-N	314.832	3.493	10	20	DGCD	
COc1cccc(CNc2ncccc2Br)c1O	804423835	AFQCGGQMIVTRQI-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
Cc1cc(C)nc(C(=O)NCc2ccc(N3CCCC3)cc2)c1	801134030	SMIFOANXMSQUDD-UHFFFAOYSA-N	309.413	3.229	10	20	DGCD	
Cc1nccnc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	819979394	VTTTYXDIVSQNMQ-UHFFFAOYSA-N	324.428	3.048	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)[C@@]3(C)CCCO3)CC2)cc1	815573253	DGKNVPDKLBXRQQ-DNVCBOLYSA-N	318.461	3.211	10	20	DGCD	
CON(C)C(=O)c1ccc(NCc2c(O)cccc2Cl)cc1	811840150	OZHVWZYDPOVDKG-UHFFFAOYSA-N	320.776	3.291	10	20	DGCD	
C[C@@H]1C[C@@H](C)N(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817950217	WMUUANKRCBFGQX-VXGBXAGGSA-N	315.442	3.187	10	20	DGCD	
COC(=O)CCC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1	815059471	AZJAPLBPPPBWRC-UHFFFAOYSA-N	318.461	3.226	10	20	DGCD	
CCN(CCCN1CCCC1)Cc1cc(Cl)c(F)cc1O	816610871	BJFJGWJFTIDJAK-UHFFFAOYSA-N	314.832	3.493	10	20	DGCD	
COC[C@H](NCCc1ccc(N)cc1)c1ccc(Cl)cc1	817957500	MLCXWSYVQNFWTL-KRWDZBQOSA-N	304.821	3.442	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCc2cccnc21)c1ccc(N(C)C)cc1	819931749	SWKUQYISBQHNHK-DYVFJYSZSA-N	309.413	3.055	10	20	DGCD	
CC[C@H](NCc1cc(Cl)c(C)cc1O)[C@H](O)C(F)(F)F	825390805	LJFRPISMHQSWLY-JQWIXIFHSA-N	311.731	3.145	10	20	DGCD	
COc1cc(CN2CCC[C@@H](O)CC2)c(O)c(C(C)(C)C)c1	826023859	IXXCLCFHRVYUMW-CQSZACIVSA-N	307.434	3.045	10	20	DGCD	
O=C(Cc1ccccc1O)NCc1ccc(N2CCCCC2)cc1	725891645	IVVWUCVPOWGPNS-UHFFFAOYSA-N	324.424	3.241	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1	739922886	OGRBIVNZLTYLQB-UHFFFAOYSA-N	320.339	3.438	10	20	DGCD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841786060	NIPXRYCCODVFGV-WBVHZDCISA-N	303.450	3.469	10	20	DGCD	
CCOCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	918602114	GMWXAHVTYQENNT-UHFFFAOYSA-N	300.402	3.169	10	20	DGCD	
C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(Cl)cc1O	841752283	SBGBQGNHDSGUQL-DGCLKSJQSA-N	311.809	3.382	10	20	DGCD	
CC(C)CCOCCNC(=O)CSc1ncc(Cl)s1	849999827	ZIUBPTCEXVTAHU-UHFFFAOYSA-N	322.883	3.068	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](N2CCCC2)C[C@@H]1C	840948681	XWFMUCCXFUUPIK-QFBILLFUSA-N	301.478	3.120	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCC1([C@H](C)CCO)CCC1	840938124	ZMZSJDZPARRHLZ-MRXNPFEDSA-N	304.478	3.339	10	20	DGCD	
COc1ccc(N(Cc2nc([C@H](C)OC)no2)CC(C)C)cc1	747840889	ZVUOLHXRSXARJR-ZDUSSCGKSA-N	319.405	3.448	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCS1	743325251	WEBWDKJAPXVLTR-INIZCTEOSA-N	304.459	3.189	10	20	DGCD	
Cn1cc(C(C)(C)NCc2ccc(N3CCCCC3)cc2)cn1	742373763	ITFQIVRBCDNDML-UHFFFAOYSA-N	312.461	3.435	10	20	DGCD	
Fc1cccc(CNC(=S)Nc2ccc3c(c2)CCC3)n1	747719744	BJBMZXKSZJCTCY-UHFFFAOYSA-N	301.390	3.196	10	20	DGCD	
CC(C)=CCSCC(=O)N(C)Cc1ccc(N(C)C)cc1	840205721	FMVCHQZPEPTTDJ-UHFFFAOYSA-N	306.475	3.410	10	20	DGCD	
CCc1cccc(CNCCc2ccc(O)c(OC)c2)c1O	848896809	JFAJMSXPPCBDON-UHFFFAOYSA-N	301.386	3.001	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1	858162195	RTYOMQXJFXYNCM-HOTGVXAUSA-N	314.360	3.195	10	20	DGCD	
C[C@H](NCCN1CCc2ccccc21)c1ccc(F)cc1O	756484332	TZWPYFPAAZLRNS-ZDUSSCGKSA-N	300.377	3.245	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H]2CN(CC(C)C)CCO2)c(O)c1C	756355680	QSJMBVNHCZRHFQ-SJORKVTESA-N	320.477	3.016	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1nccs1	757701287	YHVJVTKXBFPCGZ-NXEZZACHSA-N	307.375	3.211	10	20	DGCD	
C[C@H](NCC1(N(C)C)CCCCC1)c1cc([N+](=O)[O-])ccc1O	756358667	WLEHWWUDUXEWDP-ZDUSSCGKSA-N	321.421	3.216	10	20	DGCD	
C/C=C/C=C/C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751306000	NSDREJLQBMLBKT-TTWWKFCBSA-N	304.353	3.467	10	20	DGCD	
Cc1cc(CN[C@@H]2C[C@H](C)n3ncnc32)c(C)n1-c1ccccc1	926765515	WXCBZVQBQDFYBW-KBXCAEBGSA-N	321.428	3.481	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	859420460	YDTBFVIMAJNPMU-VAMGGRTRSA-N	320.436	3.263	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c1	761216198	MRZQUXCFOAUGPY-UHFFFAOYSA-N	318.461	3.170	10	20	DGCD	
C[C@H](NC[C@]1(C)CCO[C@@H]1C1CC1)c1cc([N+](=O)[O-])ccc1O	768295187	SIGCXPRSPMJDJX-JECHBYEQSA-N	320.389	3.156	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(C=O)s1	866598742	NUJMISKYDIMVES-UHFFFAOYSA-N	303.383	3.319	10	20	DGCD	
C[C@@H](CCC1CC1)NC(=O)NCc1ccc(N(C)C)c(F)c1	768971164	ZGGOGPRCOUEYFU-LBPRGKRZSA-N	307.413	3.270	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](N(C)Cc3ccccc3)C2)cc1	769497851	DFPDLBJDVAANNT-NRFANRHFSA-N	323.484	3.459	10	20	DGCD	
Cc1cccc(NC(=O)CN(C)Cc2c(C)cccc2O)c1C	876538779	NWYVPWPSNMPRMO-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCOc2ncccc2F)cc1	773083105	KEXJWHSBBOGSPB-AWEZNQCLSA-N	317.408	3.406	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1CCN(C2CC2)c2ccccc21	778258435	JFDWGZBOSDJZKJ-TWGQIWQCSA-N	319.408	3.419	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ncccn3)c2C)c1	771815159	JWXIEGAQEAKADD-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
CS[C@@H]1CC[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C1	1116211569	JQLOPLNBDYCZRJ-ZIAGYGMSSA-N	311.422	3.450	10	20	DGCD	
COc1cccc2ncnc(NCc3ccc(N(C)C)cc3)c12	779427630	FWEBIJNKHYRLSU-UHFFFAOYSA-N	308.385	3.317	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1OC	893622760	HGJGURMTMRYLHM-HUUCEWRRSA-N	323.433	3.091	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)COC1CCC(C)CC1	793515560	OHKGRDBSOKOYOG-UHFFFAOYSA-N	318.461	3.273	10	20	DGCD	
CCC(C)(C)N(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	798422772	LJQYMLSVBPLSRG-UHFFFAOYSA-N	319.449	3.058	10	20	DGCD	
CNC(=O)C1CCC(N[C@H]2C[C@H](C)c3c(C)ccc(O)c32)CC1	1320249376	YJCUZDKUWFVNMD-PPWQZUPISA-N	316.445	3.143	10	20	DGCD	
CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CCO1	1346406532	XVKZAZIEALRNFR-IAGOWNOFSA-N	319.449	3.052	10	20	DGCD	
CCN1CCc2cc(CN[C@H](CCCC(C)C)C(=O)O)ccc21	1776877137	OCBFYMGIDNONKE-QGZVFWFLSA-N	318.461	3.438	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cc(F)c(F)c(F)c2)cc1	154119924	MNBAGMXDDNVVCF-UHFFFAOYSA-N	323.318	3.492	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1C	156577438	LSDXNOZKZPDEQJ-SUMDDJOVSA-N	324.424	3.452	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(Cl)nc(Cl)c1	38000186	ATQLQDNXGQZYDX-UHFFFAOYSA-N	311.168	3.366	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1	112803345	RJAIEJIGUGKRSH-DYVFJYSZSA-N	322.424	3.103	10	20	DGCD	
FC(F)Oc1ccc(N2CCC[C@@H](NCc3cc[nH]c3)C2)cc1	175714293	XOVDQEJTOVZYIL-CQSZACIVSA-N	321.371	3.375	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]2c2cc(C)no2)c1O	64984343	HCGHFMHRMBIWNN-AWEZNQCLSA-N	302.374	3.424	10	20	DGCD	
Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c(O)c1O	179499384	NXHIVYIYFUMONM-OAHLLOKOSA-N	311.381	3.036	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccncc3Cl)ccc21	73057081	QAEDFRZECPPSGX-UHFFFAOYSA-N	315.804	3.047	10	20	DGCD	
CCCN(C(=O)c1cccc(O)c1O)[C@@H]1C[C@H](OCC)C1(C)C	185719812	FEHXDIHETAJXQA-CABCVRRESA-N	321.417	3.154	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H]1CCN(C2CC2)C1	314767418	WHKOEUFBJFFAMA-FMKPAKJESA-N	300.446	3.323	10	20	DGCD	
COc1ccc(CCN[C@@H]2CCc3cccc(O)c32)cc1OC	323907594	RQVRRRBZWXWJOI-OAHLLOKOSA-N	313.397	3.229	10	20	DGCD	
Cc1csc(CNCc2cccc(Br)c2O)n1	42412577	UUWZOWPSOTUNNG-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cc(Cl)c(Cl)cc1O	192966927	QBLNGWAWOXVBRQ-LPEHRKFASA-N	302.201	3.287	10	20	DGCD	
CCC[C@@](C)(N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	320249097	PKHKTQKKJIWWJD-LJQANCHMSA-N	317.477	3.153	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(N(C)C)c(F)c2)cc1O	131277734	FPFOWRZVTNJZCO-UHFFFAOYSA-N	318.392	3.238	10	20	DGCD	
COc1ccc(CN[C@H](C)[C@@H](O)c2cccc(F)c2)cc1C	267168871	HLMTUDGOTNCWJF-FZKQIMNGSA-N	303.377	3.354	10	20	DGCD	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Cc1ccc(N)cc1	261604302	CNHPWEVVXUORHY-GFCCVEGCSA-N	300.324	3.001	10	20	DGCD	
Cc1cnn([C@@H]2CCN(Cc3c(O)ccc(Cl)c3F)C2)c1	365623120	PSVBGVWCNWDFGR-LLVKDONJSA-N	309.772	3.137	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@@H]2CCc3nccn3C2)cc1	279008855	SOVSGMZJQMXNPI-HOTGVXAUSA-N	312.461	3.252	10	20	DGCD	
COc1cc([C@@H](C)NCc2ccc(N(C)C)cc2)c(F)cn1	286889582	IXEHDPYJDSRQFG-GFCCVEGCSA-N	303.381	3.146	10	20	DGCD	
CC(C)N(CC(=O)N1CCCCCC1)Cc1ccccc1O	289821554	TZAVMKRCWVVQFS-UHFFFAOYSA-N	304.434	3.005	10	20	DGCD	
CC[C@H](Nc1cccc(OCC(N)=O)c1)c1ccc(C)cc1O	280119688	OEWWIRUNXAXLJU-INIZCTEOSA-N	314.385	3.128	10	20	DGCD	
CCNC(=O)[C@H](C)N[C@H](CC)c1cc(Cl)cc(Cl)c1O	286887820	ISNOPZHSIWHQAA-QPUJVOFHSA-N	319.232	3.264	10	20	DGCD	
CC[C@H](NCC[C@H](O)COC)c1cc(Cl)cc(Cl)c1O	806149756	HHJGOHGNMCLDGM-GWCFXTLKSA-N	322.232	3.137	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@H]2CN(CC(C)C)CCO2)c(O)c1	815553439	AGFMEICIYFTGCC-DLBZAZTESA-N	320.477	3.016	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@H]2CCCC23CCCC3)cc1	817943311	UGXQBZACARFFNA-ROUUACIJSA-N	301.478	3.455	10	20	DGCD	
Cc1cc(O)c(CN2CCS[C@H]3COCC[C@H]32)cc1Cl	824913257	NBELEVOYHVTXDH-HIFRSBDPSA-N	313.850	3.060	10	20	DGCD	
COc1ccc2cc(NC(=O)NCc3ccccc3O)ccc2n1	727595567	HQCFADCUYHSAEG-UHFFFAOYSA-N	323.352	3.271	10	20	DGCD	
CC(C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)=C1CCC1	827557919	RMZQFBKLRTWKNO-QGZVFWFLSA-N	315.413	3.400	10	20	DGCD	
CN(CC1=CCSC1)Cc1cc(Br)ccc1O	827806545	UAOXRYNAQPCOJM-UHFFFAOYSA-N	314.248	3.260	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](CO)c2ccc(F)cc2)cc1Cl	825283366	KNGSBFFVHJDAKC-HNNXBMFYSA-N	309.768	3.316	10	20	DGCD	
Cc1ccc(NNC(=S)Nc2ccc3c(c2)OCO3)c(C)c1	735233568	FZZSYQBDJSHCDI-UHFFFAOYSA-N	315.398	3.346	10	20	DGCD	
COc1cc(CN[C@@H](CO)C(C)(C)C)c(O)c(C(C)(C)C)c1	825716593	VTJPMOBUXZRWFV-HNNXBMFYSA-N	309.450	3.195	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc2c(c1)OCCCO2	738966592	YALFNWHCAPXOES-UHFFFAOYSA-N	304.298	3.027	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2cccc(C3CC3)c2)c1	839685627	WQCAJLVNPBENKG-UHFFFAOYSA-N	311.381	3.137	10	20	DGCD	
C[C@H](Cc1cccc(F)c1)N(C)Cc1cc2c(cc1O)OCO2	839187952	RXMIEUDEJBLFEZ-GFCCVEGCSA-N	317.360	3.323	10	20	DGCD	
CCO[C@H](C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	915280024	XMSIADHXHHVXOW-MRXNPFEDSA-N	314.429	3.178	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCc2cccnc2)cc1	916503012	ZIMZDKITDBBIED-UHFFFAOYSA-N	311.429	3.177	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](CO)CC2CCCCC2)c1O	846171157	DUPIAPXUEUZNBC-DZGCQCFKSA-N	307.434	3.383	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H](OC)C(F)(F)F	845791714	QQLNDZFGECFJNK-ZDUSSCGKSA-N	319.323	3.098	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](COC)Cc2ccccc2)c1	747100911	XZYONIWUVCOOTQ-KRWDZBQOSA-N	315.413	3.138	10	20	DGCD	
O=C(NCCC1CC(F)(F)C1)NCc1cc(Cl)ccc1O	845252786	WTPXOOSUGPMJTC-UHFFFAOYSA-N	318.751	3.280	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2CCCN3CCCC[C@H]23)c1O	848927800	NUFZOEKVJKYSIN-LSDHHAIUSA-N	324.852	3.161	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1cccc(O)c1)CC1CC1	748315248	ULPQCWRMCVRCSD-UHFFFAOYSA-N	303.383	3.212	10	20	DGCD	
CC[C@H](N[C@H]1C[C@H](CO)C1)c1ccc(C(F)(F)F)cc1O	927147007	IDMGZYPYQBRDCG-GAFUQQFSSA-N	303.324	3.223	10	20	DGCD	
CO[C@H](C)CCN[C@@H](C)c1ccc(Br)cc1O	756529956	WJCBPTDOBUUQCT-ZJUUUORDSA-N	302.212	3.230	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@H]2CCN(C3CC3)C2)c2c(O)ccc(F)c21	756402612	VXDCMCHNEQGYNF-LALPHHSUSA-N	304.409	3.154	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCC(C)(C)C2)cc1F	768764282	MWLDVPOXSLTQAC-ZDUSSCGKSA-N	307.413	3.270	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@H](c2c(F)cccc2F)C1	769656417	GDZFTDATBWGQPT-VIFPVBQESA-N	309.337	3.362	10	20	DGCD	
Cc1ccc(CN2CCC(C(=O)OC(C)(C)C)CC2)c(O)c1	876683772	GOFKBKSBDJDFPF-UHFFFAOYSA-N	305.418	3.254	10	20	DGCD	
C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1	773010989	VGAPTIDUWBYDIB-JTQLQIEISA-N	319.386	3.213	10	20	DGCD	
CC(C)c1cc(N[C@@H](C)c2ccc(N(C)C)cc2)n2ncnc2n1	772299170	BYPSAWNIMQEYKU-ZDUSSCGKSA-N	324.432	3.487	10	20	DGCD	
COC1(C)CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	773611959	BJPAWGUDLAJMKL-AWEZNQCLSA-N	319.449	3.024	10	20	DGCD	
C[C@H](N[C@@H](CO)CC(F)F)c1cc(Cl)c(Cl)cc1O	774381348	MGMJIXDGDKSOQI-NKWVEPMBSA-N	314.159	3.366	10	20	DGCD	
CCOc1cccc(CNCCc2cc(F)ccc2OC)c1O	886312278	ZCUBYRKSVJLVRM-UHFFFAOYSA-N	319.376	3.271	10	20	DGCD	
CCOCc1cc(CNC[C@@H]2CCC[C@H]2OC)ccc1OC	774831742	YGQRTXAENZWZCU-DOTOQJQBSA-N	307.434	3.136	10	20	DGCD	
CCCOc1cccc(CCNC(=O)c2cc(O)cs2)c1	771656396	ODPKDQOTBUFOOW-UHFFFAOYSA-N	305.399	3.215	10	20	DGCD	
C[C@H](OC(=O)c1cc(O)cs1)c1noc(-c2ccccc2)n1	783607633	JHJPNYAOSKUMGX-VIFPVBQESA-N	316.338	3.422	10	20	DGCD	
O=C(COC(=O)c1ccc2c(c1)CCC=C2)c1ccc(O)c(O)c1	786542916	QVQNXYYTSBPPPE-UHFFFAOYSA-N	324.332	3.097	10	20	DGCD	
C[C@H](NCCCN(C(=O)C1CCC1)C1CC1)c1ccccc1O	783519091	SYDDUEMEQLPOGA-AWEZNQCLSA-N	316.445	3.224	10	20	DGCD	
COc1ccc(NCc2cc(C)c(C)cc2O)cc1NC(N)=O	785559205	FOOFEWRBDBJBIF-UHFFFAOYSA-N	315.373	3.120	10	20	DGCD	
CC(C)OCC[C@H](O)CN(Cc1ccccc1O)C1CCCC1	788272862	YZVLJIFDRGJIBR-SFHVURJKSA-N	321.461	3.313	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(CC(F)F)C2CCC2)cc1	887634084	DSRWPIGPKNLDAU-UHFFFAOYSA-N	311.376	3.082	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cnc(N2CCCC2)nc1	780766493	IBOHKQWTXVACLN-UHFFFAOYSA-N	324.428	3.038	10	20	DGCD	
Cc1cc(C)cc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)c1	789974391	YOQRJXWTXJOGIV-NSHDSACASA-N	303.333	3.345	10	20	DGCD	
CCCCOCCCNCc1cccc(Br)c1O	101588416	RLWBXKNCCNKWDP-UHFFFAOYSA-N	316.239	3.451	10	20	DGCD	
C[C@@H](O)CCCNCc1ccc(OCc2ccccc2)cc1O	789758204	QMWCONNDZTYHBP-OAHLLOKOSA-N	315.413	3.222	10	20	DGCD	
CC(C)(NCc1cc(F)cc(F)c1O)[C@@H](O)c1ccccc1	895662990	UVFFOEJVONYRJG-INIZCTEOSA-N	307.340	3.272	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H]2CCCO[C@H]2C(C)C)c1O	894316749	OLLSJKZNMDWACW-KSSFIOAISA-N	307.434	3.250	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@H](C)NC(=O)CCCF)cc1C	1135212375	WIFCQPZLULORNF-GJZGRUSLSA-N	324.440	3.126	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2n[nH]cc2Br)c1	718126928	RLDNYHCJRJBJME-SECBINFHSA-N	310.195	3.037	10	20	DGCD	
C[C@H](CN(C)C(=O)OC(C)(C)C)N[C@H]1CCc2cccc(O)c21	701914413	FPVZLLLBCOQPSA-OCCSQVGLSA-N	320.433	3.225	10	20	DGCD	
C=Cc1ccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)cc1	794385353	POYDBMTZLMIINB-NTMALXAHSA-N	309.365	3.113	10	20	DGCD	
CCn1nc(C)c(CNCc2c(O)ccc(Cl)c2F)c1C	790955517	RRJNCIJLDVNHQH-UHFFFAOYSA-N	311.788	3.308	10	20	DGCD	
CN(CCCN(C)c1ccc2c(c1)OCO2)C(=O)OC(C)(C)C	797976347	ISKQRHGYSTYZAJ-UHFFFAOYSA-N	322.405	3.109	10	20	DGCD	
C[C@@H]1C[C@@H](CCNCc2cc(F)c(N(C)C)cc2F)CCO1	1329009165	PMNNEACBJWAEQD-OLZOCXBDSA-N	312.404	3.326	10	20	DGCD	
Cc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)O)c2)c(O)c1O	1600342917	GMKPXSWEMYSCKK-UHFFFAOYSA-N	321.716	3.010	10	20	DGCD	
O=C(O)[C@H](NCc1cc(Cl)cc(F)c1O)c1cccs1	1601673685	BDJWLNFNKHVXQW-LLVKDONJSA-N	315.753	3.162	10	20	DGCD	
N[C@@H]1CC=C(C(=O)N2CCCSc3ccc(Cl)cc32)C1	1580171862	ZRLXTNUMYMRMRW-GFCCVEGCSA-N	308.834	3.216	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCO[C@@]3(CCSC3)C2)cc1C	151397841	HJFMBJUXUZZOBA-WBVHZDCISA-N	307.459	3.153	10	20	DGCD	
COC[C@H]1CCCCN1Cc1cccc(Br)c1O	307778919	OUJXWSSVBLNNJJ-GFCCVEGCSA-N	314.223	3.156	10	20	DGCD	
O=C(NCc1c(Cl)cccc1Cl)c1cccc(O)c1O	696970835	XGMBUKSOSZJKQA-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)c1	103529744	KVTRBIQVKXWRFD-LLVKDONJSA-N	310.353	3.373	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc[nH]2)c(C)n1-c1ccc(F)cc1	174317009	IQSADUQSWNQHBK-UHFFFAOYSA-N	311.360	3.491	10	20	DGCD	
CCCc1ncc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)s1	173131042	TVMRKLAXZMPQFF-JTQLQIEISA-N	320.414	3.301	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(Cl)cc2F)c1	114543682	VRGFYBJKKNNBOV-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
COc1ccc(N2CCN(c3ccnc(Cl)c3)CC2)cc1F	301654019	UKXKMTAZDRYJBM-UHFFFAOYSA-N	321.783	3.209	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCCCN2C[C@H](C)O[C@H](C)C2)c1	185206446	NBPPNTJKIWOKNP-BBWFWOEESA-N	320.477	3.241	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@H]1C[C@@H](O)c1ccco1	180271163	ZNMDLUJMBGSTGE-GOEBONIOSA-N	305.349	3.212	10	20	DGCD	
CCC(=O)Nc1ccc(C(=O)CSc2nccs2)cc1	48874219	WIBUJUUOWYBXCE-UHFFFAOYSA-N	306.412	3.467	10	20	DGCD	
COc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1F	47549953	SSSAUCORIDGGNY-UHFFFAOYSA-N	304.321	3.204	10	20	DGCD	
C[C@H](C[C@@H](O)c1ccco1)NCc1ccc(N(C)C)c(F)c1	130602212	BGOLDTSIJUFFEU-MLGOLLRUSA-N	306.381	3.087	10	20	DGCD	
CSC1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1	190329145	FRDNFMMNDVTIHC-UHFFFAOYSA-N	318.486	3.435	10	20	DGCD	
Cc1cc(N2CCCC2)ccc1NC(=O)Cc1ccc(N)cc1	237669432	AALCPFVBKPKKSX-UHFFFAOYSA-N	309.413	3.359	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C\SCc2ccco2)c1	255499113	KWXWPXXAOKYGNS-VURMDHGXSA-N	319.382	3.057	10	20	DGCD	
C[C@@H](CCN[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	183595962	GDMVJPPDWYPCAY-QWHCGFSZSA-N	308.422	3.346	10	20	DGCD	
CC(C)(C)c1ncc(/C=C/C(=O)NCc2ccccc2O)s1	269134489	JKVNOUJJFZQXSF-CMDGGOBGSA-N	316.426	3.476	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2sccc2C)c1	273370897	GBPAISNUSVBLRO-LLVKDONJSA-N	305.399	3.400	10	20	DGCD	
CC(C)n1cc(/C=C2/C(=O)N(C)c3ccc(Cl)cc32)nn1	287380814	ZYPDGCCKYLZHFL-NTUHNPAUSA-N	302.765	3.029	10	20	DGCD	
CC[C@@H](NCc1ccc(N(C)C)nc1)c1ccc(F)cc1O	285621299	KUEZEOCINIEOPP-OAHLLOKOSA-N	303.381	3.233	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H](C)c1cc(Cl)ccc1O	293663490	IVSSBKLFKMQWJL-RYUDHWBXSA-N	312.841	3.249	10	20	DGCD	
CO[C@H](C)CN(C)Cc1ccc(N(C)C)cc1C(F)(F)F	809718725	XMFGMLXXRRNRLY-LLVKDONJSA-N	304.356	3.238	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1ccc(Br)cc1O)CN(C)C	293714128	PBZZJOZPAABSEJ-QWRGUYRKSA-N	315.255	3.003	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)c3cnn(CCF)c3)cc12	817762008	OALYDQSQKGXKOD-UHFFFAOYSA-N	315.348	3.180	10	20	DGCD	
O[C@H](CNc1ccccc1OCC1CC1)COc1ccccc1	819450407	BCBBXMRABHCFNO-MRXNPFEDSA-N	313.397	3.327	10	20	DGCD	
CCCN(CC)C[C@H](C)NCc1c(O)ccc(Cl)c1F	810181166	VXFADYVACJCVNO-NSHDSACASA-N	302.821	3.395	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC3CCSCC3)C2)cc1	818220837	MUCJJQNNPURJJC-CQSZACIVSA-N	306.475	3.007	10	20	DGCD	
CN1C[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1	822520455	CBBHWVPWDBSEHH-IINYFYTJSA-N	315.244	3.225	10	20	DGCD	
Oc1cc2c(cc1CN1CC(c3cccc(Cl)c3)C1)OCO2	824987890	DOXPIFUAHPIWLK-UHFFFAOYSA-N	317.772	3.374	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)COCC(F)(F)F)cc1Cl	825150895	LQRIJQKAPREEON-SECBINFHSA-N	311.731	3.411	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(F)nc2)cc1	733915211	LZGMNGHPQZFXSX-UHFFFAOYSA-N	315.392	3.339	10	20	DGCD	
CC[C@H](NCc1ccc(CCO)cc1)c1ccc(F)cc1O	903404211	YEUZLQMKIJPHNQ-KRWDZBQOSA-N	303.377	3.307	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1cncc(F)c1)CCC2	839656808	SYZNCKQJEHQYAG-UHFFFAOYSA-N	302.349	3.191	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCC[C@@H]1CCOC1	838714881	NYVVGLGUPOMHFC-OAHLLOKOSA-N	320.433	3.131	10	20	DGCD	
CCOc1cccc(CN(C)C[C@H](C)C(=O)OC(C)(C)C)c1O	839192558	KPINQLQZAUMTMZ-ZDUSSCGKSA-N	323.433	3.201	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2noc(C3CC3)n2)cc1	919770151	NQDXYVPTLKEHBR-UHFFFAOYSA-N	314.433	3.425	10	20	DGCD	
COc1ccccc1C[C@H](NC(=O)c1cc(O)cs1)C(C)C	747943350	GJWTYOKPUQWXIN-AWEZNQCLSA-N	319.426	3.459	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC(c2ccncn2)CC1	840170529	PCZTZFAAGFWOKG-UHFFFAOYSA-N	320.396	3.110	10	20	DGCD	
CCc1cccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1O	848880771	HYCZCHUZYCYCSL-UHFFFAOYSA-N	324.424	3.218	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccc(Cl)cc1O	841752803	CDCBEWZKTVXNPV-NWDGAFQWSA-N	312.841	3.249	10	20	DGCD	
COc1cccc([C@@H](C)NCCOc2ccccc2F)c1O	846136490	IXYLUIRHRMUDTO-GFCCVEGCSA-N	305.349	3.270	10	20	DGCD	
COc1cccc([C@H](C)NCC2(CCO)CCCCC2)c1O	846151516	ZKTSIEJQTKGCJV-AWEZNQCLSA-N	307.434	3.384	10	20	DGCD	
CC(C)n1cc(NCc2ccc(N3CCOCC3)c(F)c2)cn1	746469897	PDQHGGYVRSZLSW-UHFFFAOYSA-N	318.396	3.052	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)CCC(C)(C)N)cc2)CC1	844183815	NUVFROYFQBRTHB-UHFFFAOYSA-N	317.477	3.057	10	20	DGCD	
C[C@H](c1cccs1)N(C)C(=O)NCCc1ccc(N)cc1	841962795	STLWVHSMBDGAOP-GFCCVEGCSA-N	303.431	3.275	10	20	DGCD	
COC[C@@H](C)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	749330823	ARSUWEMSZMIRMV-CQSZACIVSA-N	314.429	3.476	10	20	DGCD	
Cc1cccc(CN(CC(=O)OC(C)(C)C)C2CCC2)c1O	848927543	HIMHAAITBYQEBF-UHFFFAOYSA-N	305.418	3.397	10	20	DGCD	
C[C@@H](NCCCNc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756589549	MFNHRWLDUXXEFK-CYBMUJFWSA-N	315.373	3.453	10	20	DGCD	
Cc1[nH]ccc1C(=O)N(Cc1ccco1)Cc1ccccc1O	750241796	LSSJXKKTDNSZMF-UHFFFAOYSA-N	310.353	3.464	10	20	DGCD	
COC(=O)/C=C(/C)CN(Cc1ccco1)Cc1ccccc1O	929969833	PEZBASKBRLBQJA-UVTDQMKNSA-N	315.369	3.107	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc(F)cc1F	759581937	XMCYYUSEUWFYKG-KXFIGUGUSA-N	306.264	3.133	10	20	DGCD	
COc1ccsc1CN1CCOc2cc(N(C)C)ccc21	765658296	OCOGXNGMFMKAJK-UHFFFAOYSA-N	304.415	3.222	10	20	DGCD	
COc1cccc(O)c1CNC[C@@](C)(O)c1ccccc1Cl	764984844	ZIVPCQCYNNTCQE-QGZVFWFLSA-N	321.804	3.052	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@H]2C[C@H](OCC)C2(C)C)c1	769473131	LGXBWMNMTFAVAM-IRXDYDNUSA-N	307.434	3.426	10	20	DGCD	
C[C@@H](CN(C)Cc1cc2c(cc1O)OC[C@H]2O)c1ccccc1	768449045	DARQYBBEQLIJHF-SCLBCKFNSA-N	313.397	3.054	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2cnc(C3CC3)o2)cc1	862403915	XRZXIGCDDIZYMF-UHFFFAOYSA-N	315.417	3.129	10	20	DGCD	
CCN(CCSC)Cc1c(O)cccc1Br	862400178	PCMZFSRGVUFHOI-UHFFFAOYSA-N	304.253	3.340	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)Nc1cccnc1Cl	879648295	IVAAZCJIEBKTRI-GHMZBOCLSA-N	319.792	3.118	10	20	DGCD	
CCc1ccc(N(CC)C(=O)/C=C/c2cnc(OC)nc2)cc1	775783074	MZTUKJCDAJLNEU-DHZHZOJOSA-N	311.385	3.114	10	20	DGCD	
CC(C)C[C@@H](C)N(C)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775837453	SRCBKJJVHOJDGK-HZPDHXFCSA-N	319.493	3.296	10	20	DGCD	
C[C@H](CCC(C)(C)C)C(=O)OCC(=O)c1ccc(O)c(O)c1	784694282	CXPUWQINADSWLO-LLVKDONJSA-N	308.374	3.286	10	20	DGCD	
COc1cc(C)cc(CNCCOc2ccccc2F)c1O	894141650	UZEJKACYTJSLQF-UHFFFAOYSA-N	305.349	3.017	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2CCN2Cc2ccccc2)cc1	716293429	SFAFMZBHDBUKDF-FQEVSTJZSA-N	309.457	3.117	10	20	DGCD	
CC[C@H](C)C[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1339509749	MSSAJYJAAOAFCR-HOTGVXAUSA-N	321.484	3.492	10	20	DGCD	
Nc1ccc(CNC(=O)N(Cc2cccs2)C2CC2)cc1	1337078949	SFZSXWGGLRYSKP-UHFFFAOYSA-N	301.415	3.205	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H](CO)Cc1ccco1	1337785019	INRJORRTRRNCAJ-YCPHGPKFSA-N	315.413	3.283	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	1352657287	BUJMCKFORFOVPU-MWLCHTKSSA-N	317.307	3.083	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC(CCF)CC2)c([N+](=O)[O-])c1	1608661517	YQLJGEQITHUJFR-RQOWECAXSA-N	322.336	3.269	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H](C)c2nccs2)c1O	230935869	MGACHUNJQJBBDD-VIFPVBQESA-N	312.822	3.404	10	20	DGCD	
CCn1nccc1/C=C1/SC(=S)N(c2ccccc2)C1=O	152150360	XXPQKWNHSDNAJO-JLHYYAGUSA-N	315.423	3.309	10	20	DGCD	
CN(C)[C@@H](CNCc1c(O)cccc1Cl)c1cccs1	83551395	DMZFWSMUIWEEGH-ZDUSSCGKSA-N	310.850	3.500	10	20	DGCD	
CC(C)CCC[C@@H](C)NC(=O)CN(C)Cc1ccccc1O	111235920	PSGIKSVSMWDVLY-OAHLLOKOSA-N	306.450	3.155	10	20	DGCD	
CC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	68549185	QHDNKFXIMRQOEX-GJZGRUSLSA-N	319.449	3.024	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)c2ccc(F)cc2F)c1	305767939	IHBJKBGYBRQLOR-BTDLBPIBSA-N	323.339	3.063	10	20	DGCD	
CC1(C)CC[C@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)O1	184669550	JSVVYAQRKGQHRZ-DLBZAZTESA-N	319.445	3.331	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(-c2cccs2)on1	77258340	QKPYZAQZLYYSLM-UHFFFAOYSA-N	314.366	3.381	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H]2COC3(CCCCC3)O2)c1	186230536	XEXBUMUVUQKTHV-ZFWWWQNUSA-N	321.417	3.127	10	20	DGCD	
CCCCCCC(=O)N1CCN(c2ccc(OC)cc2)CC1	192560183	SGCVUMHOTLVJMG-UHFFFAOYSA-N	304.434	3.314	10	20	DGCD	
C[C@@H](NC1CCN(CC2CC2)CC1)c1ccc(F)c(F)c1O	191210268	FPTDZOINWKXLDO-LLVKDONJSA-N	310.388	3.195	10	20	DGCD	
Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1F	190961534	XMFIDKQDKMKKHU-NSHDSACASA-N	318.348	3.298	10	20	DGCD	
COc1cccc([C@@H](CNCc2cccc(C)c2O)OC)c1	529639291	PSLJZGSNIQSYEV-QGZVFWFLSA-N	301.386	3.187	10	20	DGCD	
COc1ccc([C@@H](NCc2cc(F)ccc2O)C2CC2)cn1	529687486	FBEBIVKJQLRWMF-KRWDZBQOSA-N	302.349	3.176	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@@H]2CCC[C@H]2O)c1O	275335911	NVVZAMHDIXHAIK-ZWKOPEQDSA-N	314.223	3.027	10	20	DGCD	
CC[C@H](NC[C@@H](O)c1cccc(OC)c1)c1ccccc1O	271689735	KAPLHWMKPCLYFM-FUHWJXTLSA-N	301.386	3.175	10	20	DGCD	
CC[C@@H]1C[C@@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	272912252	LDBWPWMYPRJGEL-FUHWJXTLSA-N	318.461	3.306	10	20	DGCD	
Cc1c(CNC(=O)NC[C@@H]2C[C@H]2C2CC2)n(C)c2ccccc12	454878540	SZEZFWHUPOUGGU-HOCLYGCPSA-N	311.429	3.332	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)c1ccncc1	273587984	OJKGYCIYYHIGNX-WBMJQRKESA-N	314.385	3.376	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCCCCC1)c1ccc(F)cc1O	285535292	BWLFCAJMTOLAFB-MRXNPFEDSA-N	322.424	3.365	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2c(C)cc(C)cc2O)[C@@]12CCCO2	285394045	WVUFQYIHZVLISX-RMRDIRSESA-N	319.445	3.386	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCOCC1CC1	802129706	DTUGIQMQTXDXAC-UHFFFAOYSA-N	320.433	3.131	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccncc1	800802245	FJHPOLLGOIIZES-UHFFFAOYSA-N	313.401	3.299	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNc2ncnn2C)cc1	295962463	MFWNWEUJCGSWTA-UHFFFAOYSA-N	313.430	3.125	10	20	DGCD	
Oc1nncc(NCc2cc(Cl)cc(Cl)c2O)c1Cl	808090244	VVOZAYQDBJGCQA-UHFFFAOYSA-N	320.563	3.460	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3CCC[C@H]4C[C@H]43)C2)cc1	818343191	ZDBCVTHWSVGHJL-WTLGNFPFSA-N	300.446	3.300	10	20	DGCD	
C[C@@H](NCc1cccc(Br)c1O)c1ccnc(O)c1	815148530	YTROBOGTFBAUST-SECBINFHSA-N	323.190	3.106	10	20	DGCD	
CN(C)c1ccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1F	811510698	NDUZHVXQCAPQFU-IAGOWNOFSA-N	306.425	3.281	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](C2CCCC2)C1	817636849	TZYPLKDCBOFVJW-VFADXPBXSA-N	301.386	3.150	10	20	DGCD	
CCCNCCN[C@@H](C)c1cc(Br)cc(C)c1O	817962020	GMVNETSROCEKOH-NSHDSACASA-N	315.255	3.113	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C2CC2)C1	812048713	WMMLHIJRMWLNDF-QGZVFWFLSA-N	315.461	3.393	10	20	DGCD	
CCOC(=O)C1CCN(Cc2ccc3ccccc3c2O)CC1	816480874	ZOCAPXZVZMDQLW-UHFFFAOYSA-N	313.397	3.321	10	20	DGCD	
Cc1cnn([C@@H]2CCN(Cc3cc4c(cc3O)CCCC4)C2)c1	811799557	WUCPVIQXKGEYPC-GOSISDBHSA-N	311.429	3.223	10	20	DGCD	
Cc1ccc(C[C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)s1	588407003	HVKCYHHRFSTIFN-OFSNVTPPSA-N	317.410	3.228	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@H](C)c2ccn(C)n2)c1	839193162	ZCYLQKBDLPWABS-SNVBAGLBSA-N	324.222	3.047	10	20	DGCD	
CN1CCC[C@H](CCNCc2c(O)ccc(Cl)c2F)C1	839182139	LBLYVAFRGFNKJG-LLVKDONJSA-N	300.805	3.006	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[C@@H]2C[C@H]12	838485086	BOZDFMYBDYFLSJ-NJAFHUGGSA-N	311.429	3.051	10	20	DGCD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1	733332518	CYKNXJOXUGIAGV-KEYYUXOJSA-N	303.450	3.377	10	20	DGCD	
CO[C@@H]1C[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C12CCC2	832208425	ACAMHAJXFAAOEN-JKSUJKDBSA-N	321.392	3.123	10	20	DGCD	
CCN(C(=O)CN[C@H](C)c1cc(F)ccc1O)c1ccccc1	903197276	MNSLDRJJLNMCGQ-CYBMUJFWSA-N	316.376	3.235	10	20	DGCD	
C[C@@H](Cc1cccc(F)c1)N(C)Cc1cc2c(cc1O)OCO2	839187954	RXMIEUDEJBLFEZ-LBPRGKRZSA-N	317.360	3.323	10	20	DGCD	
CCc1cccc(CNc2ccc3c(c2)C(=O)N(C)CC3)c1O	848901057	NYHVYUFAVYYRCU-UHFFFAOYSA-N	310.397	3.195	10	20	DGCD	
CCc1cccc(CNCCOc2ccc(OC)cc2)c1O	848893174	RHMAKBRWEBDCFC-UHFFFAOYSA-N	301.386	3.132	10	20	DGCD	
Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccccc1O	748347422	ZTXIZHINZUKSMM-UHFFFAOYSA-N	320.392	3.416	10	20	DGCD	
CC(C)N(CC(=O)O)Cc1ccc(N(C)C)cc1C(F)(F)F	840998166	PHQPCJPSOBAPQS-UHFFFAOYSA-N	318.339	3.066	10	20	DGCD	
COc1ccc(O)c(CNC[C@@H](C(=O)OC(C)(C)C)C(C)C)c1	848925645	ASULSJHWFRUPJJ-OAHLLOKOSA-N	323.433	3.104	10	20	DGCD	
COC/C(C)=C\C(=O)N(Cc1ccco1)Cc1ccccc1O	845792810	KCYRUAJDBSXQSZ-UVTDQMKNSA-N	315.369	3.107	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC(F)(F)C1	845062947	FHEDBOTWPIJBNW-LLVKDONJSA-N	318.751	3.423	10	20	DGCD	
CC[C@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O	846204987	DLAOZFHNUAIMKF-ABAIWWIYSA-N	322.836	3.097	10	20	DGCD	
CC(C)(CNC(=O)NCCc1ccc(N)cc1)C1CCCC1	841865023	YRCNBTMYXDYBRN-UHFFFAOYSA-N	303.450	3.327	10	20	DGCD	
COc1cc(C)cc(CN2CCc3ccc([N+](=O)[O-])cc32)c1O	754723751	UFTZQMJJCYABIZ-UHFFFAOYSA-N	314.341	3.180	10	20	DGCD	
CC(F)(F)CC(=O)Nc1c(-c2ccccn2)nc2ccccn12	758635061	PEDQCHSMGKBCIH-UHFFFAOYSA-N	316.311	3.380	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC2(CSC)CC2)c1	850508624	VDFOFJWOSZFQLG-GFCCVEGCSA-N	323.458	3.363	10	20	DGCD	
CCC[C@@H](C)S(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1	757744671	MUZQPDVDGCHZIM-CQSZACIVSA-N	312.479	3.093	10	20	DGCD	
COCCc1ccnc(NCc2cc(F)c(N(C)C)cc2F)c1	858162641	JBHAPMAJULMNMU-UHFFFAOYSA-N	321.371	3.227	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)c3c(Cl)cnn3C)cc12	851091788	GBRKIQBYRHOXGA-UHFFFAOYSA-N	317.776	3.401	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@H](O)[C@H](C)c2ccccc2)c1	850412125	SYQLCDPZQYNMCJ-KUHUBIRLSA-N	315.413	3.045	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(F)cn2)cc1F	763519092	OCRIWLQDSXGFBI-UHFFFAOYSA-N	305.372	3.496	10	20	DGCD	
Cc1cccc(O)c1CN1CCSC[C@H]1c1nccs1	877406489	TXFHLGIRHMPYGV-ZDUSSCGKSA-N	306.456	3.447	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2c(O)ccc(F)c21	873263780	KBPUHFMBMOKQLK-ZHZXCYKASA-N	304.409	3.200	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3cc(C)ns3)C2)cc1	877598997	XBDLZAHVCOTFJP-AWEZNQCLSA-N	317.458	3.076	10	20	DGCD	
Cc1cc(CNCc2ccc(N3CCSCC3)cc2)sn1	876942736	CXKNQSLSLXRBIK-UHFFFAOYSA-N	319.499	3.295	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cccc(C)c1Cl	775675652	HAXXHLWTVBJYAZ-UHFFFAOYSA-N	311.790	3.463	10	20	DGCD	
C[C@H](NCCCc1ccc2c(c1)OCCO2)c1ccccc1O	783519758	SVCFOHYAPRXAAY-AWEZNQCLSA-N	313.397	3.447	10	20	DGCD	
O=C(Nc1cccc(N2CCCCC2)c1)c1cccc2nn[nH]c12	783570267	KAIVCYRAAHNMDY-UHFFFAOYSA-N	321.384	3.201	10	20	DGCD	
COc1cc2c(cc1O)CCN(Cc1ccc(N(C)C)cc1)C2	887106933	UHVGSTGBEOCIOT-UHFFFAOYSA-N	312.413	3.025	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)c1cccs1	789573668	YRNAZQNCIGQYGQ-HNNXBMFYSA-N	305.399	3.069	10	20	DGCD	
CCOC(=O)[C@@](C)(NCc1cccc(C)c1O)c1ccccc1	895895164	UZCNAFQNAAUREW-IBGZPJMESA-N	313.397	3.269	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H](c1ccncc1)C1CC1	899019718	LVCMSMYOTJZJBC-KRWDZBQOSA-N	311.385	3.080	10	20	DGCD	
CCC[C@](C)(CO)NCc1ccc(N(C)C)cc1C(F)(F)F	792985543	ZPSBRNDPKAYNNC-OAHLLOKOSA-N	318.383	3.412	10	20	DGCD	
Cn1nccc1[C@H]1CCC[C@@H](NCc2ccc3c(c2)CCO3)C1	790486106	LFHZEFAGEIWCTL-DOTOQJQBSA-N	311.429	3.171	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2C[C@H]2C2CCCCC2)c(O)c1	792962087	XEHJRXSFZAEIQM-HOTGVXAUSA-N	318.417	3.169	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2Cc3ccc(C)cc3S2)c1	1329543167	DHNCHIXUYRZNBF-KRWDZBQOSA-N	313.422	3.342	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@@H](C)C[C@@H](C)C1	1340779118	MPMWNUFRKWHJND-PHIMTYICSA-N	306.435	3.214	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1	1353261970	TYIWJHRFWWPVRA-BFYDXBDKSA-N	301.434	3.427	10	20	DGCD	
CCN1CCc2cc(CN[C@H](CC(=O)O)CC(C)(C)C)ccc21	1776884800	YINCYELRVYPUTP-MRXNPFEDSA-N	318.461	3.438	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(C(C)(C)C)ns1	160308803	UNCMKITWPWBKDQ-SECBINFHSA-N	307.419	3.290	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@H](CC)c2ccccc2O)cc1	155162037	VNSGPCXUXSCGFJ-QGZVFWFLSA-N	312.413	3.383	10	20	DGCD	
Cc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cn1	154249959	WEQKFNYACTWLBT-NTUHNPAUSA-N	313.407	3.191	10	20	DGCD	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)OC1CCCC1	108669688	FQUFZVLBMHVSER-JXMROGBWSA-N	301.386	3.022	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)OCC(F)(F)F	106003048	QFWYWSNIHSKPAU-UHFFFAOYSA-N	304.312	3.273	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC1CCN(CC2CC2)CC1	122674609	XWIRFVXHRYETCP-UHFFFAOYSA-N	301.478	3.025	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1	128471598	DMLBVXQQEWIIET-OAHLLOKOSA-N	320.433	3.142	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1F	184926833	RYZQQNOUXKAZOQ-VIFPVBQESA-N	322.311	3.129	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCCn2ccnc2)c1O	186926768	IBWBBUYQEMNUBH-LLVKDONJSA-N	324.222	3.010	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C2CC2)[C@H](C)C2CC2)cc1F	121733006	OYEWZJMFWMFVRZ-GFCCVEGCSA-N	320.408	3.060	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cncc(-c2ccccc2)c1	182543858	HYQRXASQNGNNBD-UHFFFAOYSA-N	320.348	3.090	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)c1cnn(C)c1	73114184	BDSCTDVATAHXDK-UHFFFAOYSA-N	314.414	3.166	10	20	DGCD	
Cc1ccc(C(=O)NCCCSc2nccs2)cc1O	180776133	KPHAROUKTYOGMG-UHFFFAOYSA-N	308.428	3.069	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](c2cccs2)N(C)C)c1	192940834	FSJUNPIHUIHQTM-SWLSCSKDSA-N	320.458	3.416	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)[C@H]2CCOC2)c(C)n1-c1ccccc1	266150076	IVTBUDVQCAJTHV-ZBFHGGJFSA-N	312.413	3.249	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)n(C)c2ccccc12	458734217	HZEUNAJYAGVYQI-VNQPRFMTSA-N	311.429	3.475	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC2CC(F)(F)C2)cc1	277048009	PXOLNJBLJCRVKR-UHFFFAOYSA-N	311.376	3.130	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CCCCN2C2CC2)c1	278427058	JCIJOCOGBKZMFX-HIFRSBDPSA-N	304.434	3.068	10	20	DGCD	
COc1ccc(N(Cc2cccs2)Cc2cnnn2C)cc1	289447160	ZUEZFRNPBULZFV-UHFFFAOYSA-N	314.414	3.092	10	20	DGCD	
CCc1nnc(NCc2ccc(N(C)C)cc2C(F)(F)F)o1	296138491	WDGCMACPYMFJSQ-UHFFFAOYSA-N	314.311	3.329	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](F)C(F)(F)F	293873199	SUALMOSUGKUXNM-ZDUSSCGKSA-N	320.330	3.390	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)COC1(C)CCC1	801546076	WWRATVXLSFVQCI-UHFFFAOYSA-N	305.418	3.480	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3cc(F)cc(C)c3C2)c(O)c1O	800636077	CHBIFSKYYFGCOJ-UHFFFAOYSA-N	315.344	3.052	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@]2(N(C)C)CCSC2)c(O)c1	294786304	OBHXNXZNSAMBCB-WMLDXEAASA-N	308.491	3.097	10	20	DGCD	
CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819592023	ZYXXZAVWGUFOIT-HDMKZQKVSA-N	316.445	3.074	10	20	DGCD	
O=C(CNCc1ccc2ccccc2c1O)NC1CCCCC1	816546885	AAGSAJXNNTWBPC-UHFFFAOYSA-N	312.413	3.084	10	20	DGCD	
CCC[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1O	812558414	YPPSKMOURAOJKF-MWLCHTKSSA-N	312.207	3.207	10	20	DGCD	
CC[C@@H](C)CCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819588963	BCORUKUJEUXEAT-CVEARBPZSA-N	318.461	3.464	10	20	DGCD	
COc1cc(Br)cc(CNCCC(C)(F)F)c1O	824483860	VWGQOSREXMKQFT-UHFFFAOYSA-N	324.165	3.298	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1	739625668	QZPWJBZKHRRJDG-FLUIGGAXSA-N	302.330	3.071	10	20	DGCD	
Cc1ccc(CCNC(=O)NCc2ccc(N(C)C)cc2C)o1	734520084	COIVLJDDBPMGDV-UHFFFAOYSA-N	315.417	3.004	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H]2CCc3cccc(O)c32)C(=O)N1c1ccccc1	834674005	ZRYXPKHPKLVGLQ-XOKHGSTOSA-N	322.408	3.163	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2nc(-c3ccccn3)n[nH]2)c(O)c1	834902472	BAHHZKXYCNXOMY-ZDUSSCGKSA-N	323.400	3.040	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccnc2F)cc1	832115319	PADSFOJOZJQKIH-UHFFFAOYSA-N	316.380	3.389	10	20	DGCD	
OC[C@H](CNCc1cc(Cl)ccc1O)c1ccc(F)cc1	840961459	BFRFRBUHNBRJAW-ZDUSSCGKSA-N	309.768	3.050	10	20	DGCD	
CC(C)CO[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	917643685	YZPMQNRSCYCOLN-HNNXBMFYSA-N	318.461	3.305	10	20	DGCD	
C[C@@H](NCC1(N(C)C)CC1)c1cc(Cl)c(Cl)cc1O	841762959	NOYVLWMTQDGTAD-SECBINFHSA-N	303.233	3.444	10	20	DGCD	
Oc1ccc(F)cc1CN(Cc1ccccc1)[C@@H]1CCCNC1	843053289	TXVPZLJMMLMIQF-GOSISDBHSA-N	314.404	3.286	10	20	DGCD	
CCCC[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCC1	841957655	KQQVUVONSXKKLE-QGZVFWFLSA-N	303.450	3.469	10	20	DGCD	
CCOc1ccc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c(O)c1	840827212	CONMSWXOHFYXTC-HNNXBMFYSA-N	320.433	3.046	10	20	DGCD	
Cc1ccc(N)cc1NC(=O)NCc1ccc(N2CCCC2)cc1	841320607	NDFYJKBDRQMJKU-UHFFFAOYSA-N	324.428	3.499	10	20	DGCD	
OCC[C@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1F	842925205	WVBMTDICQTXUNZ-HOTGVXAUSA-N	301.361	3.232	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1NCCc2ccccc21	841068080	UNIIMBAXGBBPLF-FQEVSTJZSA-N	309.457	3.038	10	20	DGCD	
CCC/C=C\C(=O)NCc1ccc(N2CCSCC2)cc1	920737381	GZECXKJXIMAABY-PLNGDYQASA-N	304.459	3.212	10	20	DGCD	
CCc1csc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)n1	743224291	FYHYJAYHTHBQEH-SECBINFHSA-N	321.402	3.302	10	20	DGCD	
Cc1ccc(C(=O)OCc2coc(C(C)(C)C)n2)c(O)c1O	922401124	HCRIKUZSIXLKFJ-UHFFFAOYSA-N	305.330	3.049	10	20	DGCD	
COc1cccc([C@@H](C)NCCN(C)c2ccccc2)c1O	846137300	DIUISVNVFNMHMB-CQSZACIVSA-N	300.402	3.188	10	20	DGCD	
O=C(OCc1ccccc1OC(F)F)c1cccc(O)c1O	758559885	SZLXKXHSSNVFGD-UHFFFAOYSA-N	310.252	3.056	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)C3(OC)CCC3)C2)cc1	850475294	YXQGEDFSZUUNDS-JKSUJKDBSA-N	318.461	3.069	10	20	DGCD	
Cc1ccccc1[C@H](O)CN[C@@H](C)c1cc(F)cc(F)c1O	756576280	LXPPJZWTGVGGIF-MEDUHNTESA-N	307.340	3.363	10	20	DGCD	
CC(C)C[C@H](CCO)CN[C@H](C)c1cc(F)cc(F)c1O	756624899	HGOFDJFZZMWOQJ-NEPJUHHUSA-N	301.377	3.366	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@@H](c2ccco2)N(C)C)cc1F	858086601	CHUFQWIEFDRZQI-INIZCTEOSA-N	323.387	3.016	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccc2c(c1)ncn2C	765657482	KKDWENLPSGEQEC-UHFFFAOYSA-N	322.412	3.038	10	20	DGCD	
Cn1c(Sc2ncc(Cl)s2)nnc1-c1ccccn1	765056993	WWCYXKOBMDDOTP-UHFFFAOYSA-N	309.807	3.138	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@H](C)c2c(C)noc2C)c1	862758011	LPAPRQVZSCPKTE-NSHDSACASA-N	302.374	3.115	10	20	DGCD	
C[C@H](NC[C@H](C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	765393501	KLYXMJVMCDJXQX-KBPBESRZSA-N	306.425	3.359	10	20	DGCD	
Cc1cc(Cc2noc(-c3ccc(-n4cccc4)cc3)n2)no1	762103389	XODQFWMYDZOKMP-UHFFFAOYSA-N	306.325	3.415	10	20	DGCD	
CCOC(=O)c1cccnc1NCc1ccc(N(C)C)cc1C	762800658	AIALPWWGWHILBG-UHFFFAOYSA-N	313.401	3.245	10	20	DGCD	
COc1cccc(C(=O)Nc2c(Cl)ccc3nonc23)c1	1116850366	KLOJIPOTPOBLFZ-UHFFFAOYSA-N	303.705	3.137	10	20	DGCD	
CC1(C)N[C@H](c2cc(F)ccc2O)N(CC2CCCCC2)C1=O	877857505	SMSOETJEPJIBFN-INIZCTEOSA-N	320.408	3.321	10	20	DGCD	
CC[C@H](NC[C@H]1C[C@@H](N)C1)c1cc(Cl)cc(Cl)c1O	873251612	XKNITHVNWTYBON-PLMOITTCSA-N	303.233	3.477	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@H]3C(C)(C)C)cc2)CC1	775678993	KVZAZOADAFUTBL-IBGZPJMESA-N	315.505	3.449	10	20	DGCD	
O=C(Nc1ncc(-c2ccccc2)s1)c1cccc(O)c1O	776331390	VHKVWRSZSCVOEZ-UHFFFAOYSA-N	312.350	3.474	10	20	DGCD	
CCC[C@@](C)(O)CNCc1cc(Br)cc(C)c1O	776174062	GFVCSGLGHOILGE-CQSZACIVSA-N	316.239	3.104	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2ncccn2)c1C	770061876	LGDVCGBFXINTDV-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1C1CC1	773747624	CEHDOTKSBFVNIE-JTQLQIEISA-N	317.410	3.398	10	20	DGCD	
O=C(OCc1ccn(-c2ccccc2F)n1)c1cc(O)cs1	782276046	SBXMYDMAIBGULB-UHFFFAOYSA-N	318.329	3.136	10	20	DGCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@H]2F)cc1	1123826318	PIDRCQZINHDUOW-QWHCGFSZSA-N	318.314	3.002	10	20	DGCD	
C[C@@H](NCCc1cnccn1)c1cccc(C(F)(F)F)c1O	788797282	KRBNLORSWSEQMC-SNVBAGLBSA-N	311.307	3.094	10	20	DGCD	
CCOc1ccc(NC(=O)c2cccc(O)c2O)c2ncccc12	790937940	IWLQCUJDELVHHU-UHFFFAOYSA-N	324.336	3.297	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc(Cl)s1	1326798187	GNJBWRKWBWMYIY-UHFFFAOYSA-N	309.822	3.135	10	20	DGCD	
Nc1ccc(CNC(=O)NC2CCC(C3CCC3)CC2)cc1	1353441558	HHZNWGKEXWLBOV-UHFFFAOYSA-N	301.434	3.427	10	20	DGCD	
C[C@@H]1[C@@H](C(=O)O)CCN1Cc1cc(-c2ccccc2)ccc1O	1609833670	LSQYKYHAYUGHEQ-DYVFJYSZSA-N	311.381	3.354	10	20	DGCD	
COc1cc(N[C@@H](C)c2cc(C(=O)O)ccc2O)ccc1F	1610301675	GYWGCZDGVDFZIW-VIFPVBQESA-N	305.305	3.411	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H](C)c2ncc(C(=O)O)s2)c(O)c1	1610490633	IVUSDTSHSROQRM-UWVGGRQHSA-N	306.387	3.267	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCN[C@H](C)C1	1579673629	AFVZIBASLKJTNG-BXUZGUMPSA-N	317.458	3.026	10	20	DGCD	
C/C(=C\C(=O)O)CN(Cc1ccco1)Cc1ccccc1O	1588946573	TVUIKZXCMGMAGD-UKTHLTGXSA-N	301.342	3.018	10	20	DGCD	
C[C@@H](N[C@H](c1cccnc1)C1CC1)c1cc(C(=O)O)ccc1O	1593208265	AJEINNILGBRSTQ-DIFFPNOSSA-N	312.369	3.287	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@H]32)cc1C	1776821589	NOCXDMNLDAZCMI-YLFCFFPRSA-N	317.429	3.373	10	20	DGCD	
CN(C)[C@H](CNCc1cccc(Cl)c1O)c1cccs1	159730763	MDYMCBGSKMZUNK-CYBMUJFWSA-N	310.850	3.500	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1CN	163484068	OMKRMGYFWZUHIF-KOLCDFICSA-N	303.233	3.116	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]2c2cc(C)on2)c1O	21720389	CDTDEAIZUPHGBL-OAHLLOKOSA-N	302.374	3.424	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C2CCC2)cc1	102902078	MZXOMZMBPZWDLD-KRWDZBQOSA-N	301.434	3.227	10	20	DGCD	
Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)c(O)c1O	179499398	NXHIVYIYFUMONM-HNNXBMFYSA-N	311.381	3.036	10	20	DGCD	
COc1ccc(-c2nnc(NCc3cc(C)ccc3O)o2)cc1	128862786	QBBFBDDYNVHDKY-UHFFFAOYSA-N	311.341	3.371	10	20	DGCD	
Cc1cc(N(C)C)cc(C)c1NCc1cc2c(cc1O)OCO2	186267937	JRVUWUXQRVZRER-UHFFFAOYSA-N	314.385	3.416	10	20	DGCD	
COc1cc(C)c(NCc2cc3c(cc2O)OCO3)cc1F	187488900	SLTFJTYCCVYOPC-UHFFFAOYSA-N	305.305	3.189	10	20	DGCD	
C[C@H](NCCC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	128673270	VEODAPRERQCGRL-HNNXBMFYSA-N	317.477	3.242	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1OC(F)F	319629210	PDQXKNKOHXBFMO-NSHDSACASA-N	320.339	3.290	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2cc[nH]c2c1	131843517	ZKXAQJCPOVJGAQ-UHFFFAOYSA-N	321.380	3.257	10	20	DGCD	
COc1cccc(CNC[C@@]2(N(C)C)CCC[C@@H](C)C2)c1O	237210292	SAKNMWJWPDWXBE-RDTXWAMCSA-N	306.450	3.001	10	20	DGCD	
CC[C@@H](C)[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1	268812368	FCMKMZHQBRVWNK-HZPDHXFCSA-N	304.478	3.420	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(C)(C)CC	273238820	PUNWFWPAQBCAGA-CQSZACIVSA-N	306.450	3.298	10	20	DGCD	
COc1ccc(O)c(CN[C@H](c2ccccc2)c2cnn(C)c2)c1	371808448	IPIUADFOXKJSRK-LJQANCHMSA-N	323.396	3.014	10	20	DGCD	
Cc1ncccc1C(=O)NCc1cc(Cl)cc(Cl)c1O	807836074	ONAPUSYSOGNTCS-UHFFFAOYSA-N	311.168	3.332	10	20	DGCD	
COc1cccc(CNC/C=C/c2ccc(F)cc2F)c1O	809740714	BIDNWTBEKJDDJT-HWKANZROSA-N	305.324	3.482	10	20	DGCD	
Cc1sccc1C(=O)N1CCOc2cc(N(C)C)ccc21	294849164	FLZKIOTUWGUGHW-UHFFFAOYSA-N	302.399	3.162	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cc(F)cnc2Cl)c1	295182535	VYLGQVIAHVUWOL-SECBINFHSA-N	310.756	3.439	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NOC/C=C/Cl)cc1	290777816	WDGTZFRLYJSWGX-BJMVGYQFSA-N	311.813	3.016	10	20	DGCD	
COC[C@H](C)NCc1ccc(OCc2ccccc2)cc1O	802654889	NEGFQIBVHZEZBL-AWEZNQCLSA-N	301.386	3.096	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3cccc(C)c3o2)c1O	729858635	AJUIFXIKCFPGOU-UHFFFAOYSA-N	311.337	3.385	10	20	DGCD	
CCc1nocc1CN(C)Cc1cc(Cl)cc(C(C)=O)c1O	815171318	UEYKNYQNYYLSMF-UHFFFAOYSA-N	322.792	3.431	10	20	DGCD	
Cc1ccc2c(CC(=O)NCc3ccc(N(C)C)cc3)c[nH]c2c1	726140141	ZHIIZRPQMKSISF-UHFFFAOYSA-N	321.424	3.401	10	20	DGCD	
CCOc1ccc(CNc2cccc([S@](C)=O)c2)c(O)c1	824620643	XNUNFQGFBFCFPI-NRFANRHFSA-N	305.399	3.140	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCN(C2CC2)C1	824445613	HNYDUCDEDMTPQX-LLVKDONJSA-N	312.816	3.101	10	20	DGCD	
CC(C)(C)C[C@@H](CC(=O)O)NCc1ccc2c(c1)CCCO2	900035273	GJUQZHGDFDROLY-OAHLLOKOSA-N	305.418	3.381	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)C(C)(C)C)c1	734533599	JAGFGWMYHJTLFU-NEPJUHHUSA-N	308.422	3.443	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)n(C)c1C	915264835	HHDPKSZEKBXLQT-UHFFFAOYSA-N	313.445	3.370	10	20	DGCD	
CCOc1ccc(NC(=O)NCc2ccccc2O)cc1F	748449250	VVOYDVZPUWZJIA-UHFFFAOYSA-N	304.321	3.252	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)c4cncnc4)ccc31)CCCC2	843021876	UDSLWQRJGPEUFZ-UHFFFAOYSA-N	307.353	3.066	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H](c2ccnn2C)C1	840911816	SHZXQIBHHKHUTO-KRWDZBQOSA-N	312.461	3.174	10	20	DGCD	
CCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(C)C	840480581	WZPWBVDEZAXPFU-OAHLLOKOSA-N	305.466	3.432	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1cc(F)ccc1O	756586716	TXTYRWOYOQLUEI-BMIGLBTASA-N	301.365	3.358	10	20	DGCD	
CCOc1nc(C)ccc1C(=O)NCc1cc(Cl)ccc1O	857548764	VAUVVMQEVFZVKV-UHFFFAOYSA-N	320.776	3.078	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC(F)(F)F	858295192	XFDMWKQXCBNGFJ-UHFFFAOYSA-N	324.302	3.199	10	20	DGCD	
C[C@H]1C[C@H](NCCCOC2CCOCC2)c2c(O)ccc(F)c21	756734789	ZNWOCXMHIKFWDK-WFASDCNBSA-N	323.408	3.255	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@@H](C)c1cc(OC)ccc1O	757652882	GONDENUWEGJFFR-UONOGXRCSA-N	319.401	3.292	10	20	DGCD	
CS[C@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1	756946619	OPKQFJUNUMPAHT-CQSZACIVSA-N	306.475	3.435	10	20	DGCD	
C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1O	756706681	CORNWPIGZUVTIY-NSHDSACASA-N	320.320	3.169	10	20	DGCD	
Cc1cccc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O	768531969	IXVDCWUBVQYUMM-OAHLLOKOSA-N	317.351	3.226	10	20	DGCD	
C[C@H](CSc1ccccc1)C(=O)NCc1ccccc1O	769363580	VQIQJVXMIDVTMK-CYBMUJFWSA-N	301.411	3.437	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)OCc2ccc(F)cc2)c1	862755465	SVRLDYFZYPHSBX-CYBMUJFWSA-N	317.360	3.061	10	20	DGCD	
COc1ccc([C@H](NC(=O)c2cccc(O)c2O)C(C)C)cc1	776612508	CVNDUCOKAFZMMY-MRXNPFEDSA-N	315.369	3.234	10	20	DGCD	
C[C@H](NCc1cccc2c1OCCO2)c1ccc(N(C)C)cc1	772981986	HQMANQOHUVDBAM-AWEZNQCLSA-N	312.413	3.375	10	20	DGCD	
CC[C@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cccc(Cl)c1O	775720274	KPMKHXMBXUQURR-LSDHHAIUSA-N	324.852	3.267	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H]3CCCC[C@H]3C2)c1O	1116811593	ITOKZWSWRYEJRH-OLZOCXBDSA-N	320.389	3.321	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCc2ccc(F)cc21	779513118	DTJGPTLSYMBETO-GBVWOXPPSA-N	313.328	3.054	10	20	DGCD	
CCC[C@]1(C(=O)OCC)CCCN1Cc1cccc(OC)c1O	775184967	UFEKRBRQSXQSLY-GOSISDBHSA-N	321.417	3.099	10	20	DGCD	
C[C@H](NCc1nnc(C(C)(C)C)o1)c1ccc(N(C)C)cc1	775836087	YTZVSVNVADKGOC-LBPRGKRZSA-N	302.422	3.284	10	20	DGCD	
COc1cccnc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775754914	TVZYOTDKNDWZSH-GFCCVEGCSA-N	314.389	3.039	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H]2CCN(C)C[C@@H]2C)cc1	777469907	PHYQCCFWWSNBLX-QFBILLFUSA-N	303.494	3.305	10	20	DGCD	
OC[C@H](NCc1cc(Cl)cc(F)c1O)c1ccc(F)cc1	776175647	WDXFDWWMUHPHNI-AWEZNQCLSA-N	313.731	3.147	10	20	DGCD	
CC[C@@H](C)CCCCC(=O)OCC(=O)c1ccc(O)c(O)c1	784675394	IRCUJRIPFAOUKQ-GFCCVEGCSA-N	308.374	3.430	10	20	DGCD	
Oc1ccccc1CNc1nn2cc(-c3cccnc3)nc2s1	782307082	MHZWKPXVMONKCU-UHFFFAOYSA-N	323.381	3.171	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCCOC2)cc1F	781335843	JWISSEDDCRPQAM-SFHVURJKSA-N	322.424	3.105	10	20	DGCD	
C[C@H](NCc1cccnc1N1CCCC1)c1c(O)cccc1F	886636717	SXWXZQXPEYRIFG-ZDUSSCGKSA-N	315.392	3.377	10	20	DGCD	
COc1cc(C)ccc1C(=O)NCCCSc1nccs1	780680457	GJNPGHSNXSGVRX-UHFFFAOYSA-N	322.455	3.372	10	20	DGCD	
CCOc1cccc(CN2CCOc3cc(F)ccc32)c1O	789568837	ZGYGEVFDKLVJHN-UHFFFAOYSA-N	303.333	3.329	10	20	DGCD	
COc1cc(C)cc(CNCc2csc([C@@H](C)OC)n2)c1O	894319784	FOLOZELDPKXFTK-LLVKDONJSA-N	322.430	3.163	10	20	DGCD	
COCC(C)(C)NCc1cc(Cl)cc(Br)c1O	708097888	AFPHEFWFFGAMHB-UHFFFAOYSA-N	322.630	3.323	10	20	DGCD	
CCC[C@H](C)CC(=O)NCCCNCc1ccc(OC)c(C)c1	1155541148	XLWCHCATVJPCLT-HNNXBMFYSA-N	320.477	3.426	10	20	DGCD	
C[C@H](CNC(=O)NCc1ccc(N)cc1)Cc1cccs1	1335515991	YXQMXYXBXJQYID-LBPRGKRZSA-N	303.431	3.008	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CNc3ccccc32)cc1	1577697505	LWRVUKZATLTKFB-GOSISDBHSA-N	323.440	3.358	10	20	DGCD	
CC[C@H](C)[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	151514915	DVBBGNIFMFYAKM-KBPBESRZSA-N	308.441	3.311	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2ccccc21	115746732	NBECOWUKBBCXIK-UHFFFAOYSA-N	309.413	3.333	10	20	DGCD	
CCn1c(C(=O)NCc2cccc(OC)c2O)cc2ccccc21	105650130	QYMPLNTZOOWBOH-UHFFFAOYSA-N	324.380	3.305	10	20	DGCD	
CC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	69638161	HWBDFXJRHXWVGQ-YJBOKZPZSA-N	318.461	3.306	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1COc2ccccc21	113157463	UUYVORXXXKFMIQ-GOSISDBHSA-N	324.424	3.277	10	20	DGCD	
Cc1cnc([C@H](NC(=O)c2ccc(C)c(O)c2O)C2CC2)s1	179517934	LCEZSLMIIZWQBE-GFCCVEGCSA-N	318.398	3.052	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1	25075406	UKLLIWAFBAVPEG-UHFFFAOYSA-N	311.429	3.484	10	20	DGCD	
Cc1cccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1O	179703639	NZIGCYKSKVNMCJ-UHFFFAOYSA-N	320.433	3.190	10	20	DGCD	
CCc1ccc([C@H]2COCCN2Cc2cc(OC)ccc2O)o1	180289540	AEWQMRMZJLUMOT-MRXNPFEDSA-N	317.385	3.130	10	20	DGCD	
Cc1nc(C2(NCc3cccc(Cl)c3O)CCCC2)no1	181789223	IZNXWOVKPNDIGW-UHFFFAOYSA-N	307.781	3.296	10	20	DGCD	
C[C@@H](NCCCO[C@H]1CCOC1)c1ccc2ccccc2c1O	185703142	MJHFCGORYGVFIK-ZBFHGGJFSA-N	315.413	3.392	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)c1	129712176	IBTPUWLGTKQFLB-GFCCVEGCSA-N	316.357	3.202	10	20	DGCD	
CC(C)n1cccc1C(=O)N1CCOc2cc(N(C)C)ccc21	120113809	DUGDKQSHBQBNTE-UHFFFAOYSA-N	313.401	3.174	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C)ccc1C	189435079	IUDUQXYDFKQVNS-UHFFFAOYSA-N	305.399	3.372	10	20	DGCD	
CC[C@]1(CO)CCCN(Cc2cc(Cl)cc(OC)c2O)C1	190219189	MMFCVIJXAZAPEY-INIZCTEOSA-N	313.825	3.039	10	20	DGCD	
COc1cccc(CN[C@H](C)CCc2ccc(O)cc2)c1O	237233762	WFDXWCMRSIBAEO-CYBMUJFWSA-N	301.386	3.217	10	20	DGCD	
CC[C@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1O	527997622	JBWYABWKRBQIJK-GOEBONIOSA-N	314.360	3.135	10	20	DGCD	
CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2CC)cc1	276863663	KLHAOHUGMAJLDG-UHFFFAOYSA-N	305.399	3.318	10	20	DGCD	
COCC[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccco1	273327217	YIBXQRDAHFLWDX-HNNXBMFYSA-N	321.348	3.194	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@@H](C)c1ccc(C)c(C)c1O	273566837	JTAWMMFLZAPNSS-JKSUJKDBSA-N	308.466	3.016	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](CC(=O)N(C)Cc2ccccc2O)CCO1	272899498	XURUYSVINRXWQW-YOEHRIQHSA-N	305.418	3.192	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN[C@H]1CCc2c[nH]nc2C1	374541118	JFFKQTLUOKTOGH-KRWDZBQOSA-N	310.445	3.047	10	20	DGCD	
Cc1ccc(O)c(CN[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1	284770480	PQGXOTRZHPPKBZ-YJBOKZPZSA-N	315.417	3.098	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cn(C(C)C)nn1	289095193	LRXXSFUUKJODNS-UHFFFAOYSA-N	315.465	3.336	10	20	DGCD	
Nc1ccc(CCNC(=O)CCCc2c[nH]c3ccccc23)cc1	392204205	GLHCOZDRLMXHPZ-UHFFFAOYSA-N	321.424	3.432	10	20	DGCD	
CCCc1nc(C)c(CNCc2cc(OCC)ccc2O)o1	291826511	ZTWPHMSPVXGMRR-UHFFFAOYSA-N	304.390	3.330	10	20	DGCD	
CC[C@@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(Cl)c(Cl)c1O	817976208	IDBHMPMRQKIJHE-HOTUBEGUSA-N	321.223	3.440	10	20	DGCD	
OC[C@@H](CNCc1cc(Cl)c(F)cc1O)c1ccccc1	816555157	VWYNCYSXDOUKJN-CYBMUJFWSA-N	309.768	3.050	10	20	DGCD	
CC[C@@H](N[C@@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1O	817959687	GIJGAACJWZEXRK-OLZOCXBDSA-N	302.340	3.189	10	20	DGCD	
COCCc1nc(C)c([C@H](C)NCCc2ccc(N)cc2)s1	817958821	YUIKBXROIBHRGW-LBPRGKRZSA-N	319.474	3.116	10	20	DGCD	
Cc1cc(Br)c(O)c(CN(C(C)C)C2COC2)c1	824472686	XEMNBIIBNRRFQX-UHFFFAOYSA-N	314.223	3.072	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)C1CCC(C(F)(F)F)CC1	827714962	FDKAOWHHOTZZLC-UHFFFAOYSA-N	317.307	3.083	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2cccnc2[nH]1	839472959	AEBNIVWCBYOGFM-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C2CC(C)(C)C2)cc1	844857229	YMKMUDJPJNBMOD-UHFFFAOYSA-N	304.434	3.026	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1C[C@H](O)C[C@H]1c1ccccc1	840959650	ZFBSDZUIIRGGOB-CJNGLKHVSA-N	321.779	3.493	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C2=CCCCC2)cc1	844857249	ZLAPJUODTNVDHB-UHFFFAOYSA-N	302.418	3.090	10	20	DGCD	
C[C@@H](N)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1	841028355	PBKRHYSDXPONCO-OAHLLOKOSA-N	311.429	3.155	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1N	843053694	RERHFNABBUBCHQ-HKUYNNGSSA-N	301.478	3.236	10	20	DGCD	
CO[C@H](CC(C)C)CN(Cc1ccccc1O)C[C@H]1CCCO1	842151531	CAIRSNLPGXEIHU-QZTJIDSGSA-N	321.461	3.434	10	20	DGCD	
CCCc1csc(NC(=O)NCCc2ccc(N)cc2)n1	841173591	QDWVVLDHVVUIKN-UHFFFAOYSA-N	304.419	3.042	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCCS1	753261584	IOBMNCGVVVFHAN-MRXNPFEDSA-N	321.490	3.180	10	20	DGCD	
COC(=O)CC1(NCc2ccc(N(C)C)cc2)CCCCC1	756131583	JVANWZFUOWPOGJ-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
CC[C@H](C)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	858090464	HENHIKGAZKNXMI-ZDUSSCGKSA-N	312.413	3.364	10	20	DGCD	
Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)o1	868112259	KYTNMPPZPDQBDW-UHFFFAOYSA-N	313.401	3.188	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCC(=O)c3ccccc32)c1	862755115	DJTLCUFGVZMEMX-MRXNPFEDSA-N	309.365	3.077	10	20	DGCD	
COC(=O)C(C)(C)N(C)Cc1cc(Cl)cc(Cl)c1O	769305793	NMUNKDLWKGYULW-UHFFFAOYSA-N	306.189	3.082	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](C)[C@H]2C)cc1	765982726	IKQAILGMDONVMP-HZPDHXFCSA-N	312.413	3.344	10	20	DGCD	
CO[C@@]1(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)CCOC1	763575587	YJFVLWSWOQXUAN-LKFCYVNXSA-N	320.216	3.155	10	20	DGCD	
COc1cc(C)cc(CN2CCOc3cc(F)ccc3C2)c1O	863340737	QFJBDOPKHDIKEJ-UHFFFAOYSA-N	317.360	3.243	10	20	DGCD	
CC[C@H](NCc1ccc(N(CC)CC)cc1)[C@H](O)C(F)(F)F	765786725	IDPKFSURMDOLFS-GJZGRUSLSA-N	318.383	3.324	10	20	DGCD	
COCCC1(C)CN(Cc2ccc(Br)cc2O)C1	1118577839	MCZXWGRCRWANHL-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
COCc1cc(NCc2cc(OC)ccc2O)ccc1OC	877703123	SCWDJPYQXOQJSH-UHFFFAOYSA-N	303.358	3.168	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc(N2CCOCC2)c(F)c1	876859025	ADIAVQPYPDWSSG-UHFFFAOYSA-N	316.376	3.288	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1conc1C	875951832	GEYFHWJNNIQSIO-UHFFFAOYSA-N	317.389	3.201	10	20	DGCD	
CN(C)c1ccc(/C=C2/SC(=O)NC2=O)c(C(F)(F)F)c1	874927602	FKEFBFAQUIYTRH-BJMVGYQFSA-N	316.304	3.095	10	20	DGCD	
C[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1	772993457	HTHVQAFYFTVBAA-ZDUSSCGKSA-N	300.377	3.312	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCC[C@@H](C)C2)c1O	774972865	DKJZKVSJNQYGLJ-NEPJUHHUSA-N	308.378	3.225	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@H]1n1ccnc1	775738247	XFUNCAWPVZPHIU-XHDPSFHLSA-N	323.799	3.464	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1	773753240	DWACBFAVOSYZIA-IUODEOHRSA-N	316.367	3.294	10	20	DGCD	
COc1cc(O)c(CNCc2ccc([C@@H]3C[C@@H]3C)o2)cc1OC	776024895	ZLJUZWPLYGTPJE-SMDDNHRTSA-N	317.385	3.416	10	20	DGCD	
C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1	773010990	VGAPTIDUWBYDIB-SNVBAGLBSA-N	319.386	3.213	10	20	DGCD	
C[C@@H]1CCCC[C@H]1N(C)C(=O)COc1ccc(N(C)C)cc1	786876303	KWSWXNPTIQQANP-RHSMWYFYSA-N	304.434	3.169	10	20	DGCD	
COCCN(Cc1cc(C)cc(OC)c1O)[C@H]1CC[C@@H](C)C1	790479518	PHKOVLBQNBJJQH-CJNGLKHVSA-N	307.434	3.346	10	20	DGCD	
COC[C@@]1(C)CCN(Cc2c(O)cccc2Br)C1	707165970	MZBHCECPBJYARR-AWEZNQCLSA-N	314.223	3.013	10	20	DGCD	
C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@@H](C2CC2)O1	794661319	ZCRXWSVQQYBNAG-DJJJIMSYSA-N	301.430	3.270	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H]2N(C)CCCC2(C)C)c1	790498155	PGSJJEJPWVSLEZ-SUMWQHHRSA-N	306.450	3.172	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCOC(C)(C)C	794627854	GQXLIXWOAMNQEZ-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
CC(C)n1ncc2c1[C@H](NC(=O)Nc1ccc(N)cc1)CCC2	1326087886	FLRVDFJSGQNXRF-OAHLLOKOSA-N	313.405	3.245	10	20	DGCD	
O[C@H](CNCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1	1252860098	PQNXFVYGZJYFSG-LJQANCHMSA-N	314.404	3.249	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C)CC(=O)O	1600391127	UQDPTRDPMRBIPY-LLVKDONJSA-N	307.371	3.176	10	20	DGCD	
CC[C@@H](NCCCN(C)C)c1cc(Br)ccc1O	19958817	HTFAQLZYKWYVDT-CYBMUJFWSA-N	315.255	3.147	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN2CCCC[C@H]12	36996931	MYDSITRPJURHJA-ZIAGYGMSSA-N	315.244	3.415	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(C)cs2)c1	103503268	PQWDBKOMRJUKKK-SECBINFHSA-N	307.375	3.048	10	20	DGCD	
COc1cc(CNC(=O)N(C)Cc2ccccc2O)ccc1C	54782517	FBGNOBUECXNZAC-UHFFFAOYSA-N	314.385	3.051	10	20	DGCD	
Cc1cnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)s1	302099596	KSCPJJLCFRGZKW-UHFFFAOYSA-N	321.421	3.164	10	20	DGCD	
CCOC(=O)N1CCC([C@@H](C)NCc2cccc(C)c2O)CC1	189994742	XPRJEIOHQBSEKE-CQSZACIVSA-N	320.433	3.047	10	20	DGCD	
CN(C)c1ccc(CNc2nnc(-c3ccccn3)s2)cc1	302012864	DFJYFOAQLXIQQX-UHFFFAOYSA-N	311.414	3.278	10	20	DGCD	
Cc1ccccc1C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	180949855	HIGRXCFKUSIQEN-QSYFUGGGSA-N	311.381	3.167	10	20	DGCD	
COc1cccc(CNc2ccc(N3CCCC3=O)cc2)c1O	121476378	DIXIEERVZKYCQP-UHFFFAOYSA-N	312.369	3.140	10	20	DGCD	
C[C@@H](NCCCc1cnn(C)c1)c1cc2c(cc1O)CCCC2	185313282	MJZMPQWSHOCUSI-CQSZACIVSA-N	313.445	3.288	10	20	DGCD	
C[C@H](NCCCF)c1ccc(N2CCOCC2)cc1Cl	126950345	MYZIREHDLMAPKR-LBPRGKRZSA-N	300.805	3.187	10	20	DGCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCc2ccccc2C1	180781917	ABTMRDKXSZZKOB-ZBZNSMLMSA-N	323.392	3.127	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](C)CC(C)(C)OC)c1O	184709351	LIPQOANDHXDPEE-JTQLQIEISA-N	301.814	3.347	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](C)c2c(F)cccc2F)c1O	131482749	IOKITABRXCDSSH-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCCCCO)c2C)c1	195012542	ADOMUBWJKBGLGA-UHFFFAOYSA-N	314.429	3.213	10	20	DGCD	
Cc1cccc([C@@H](O)CNCc2ccc(N(C)C)c(F)c2)c1	136489559	FCCCWSUNFXHDML-SFHVURJKSA-N	302.393	3.023	10	20	DGCD	
CC(C)(C(=O)NCCc1ccc(N)cc1)c1cccc(F)c1	236709996	UTUWFZYISZEVKP-UHFFFAOYSA-N	300.377	3.044	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1OC	271840656	QPAOJLMUSFHOPL-DYVFJYSZSA-N	323.433	3.093	10	20	DGCD	
CCN(CC)c1ccc(CNCCCCCC(=O)O)cc1F	276946087	DDNMRUAXESGNCY-UHFFFAOYSA-N	310.413	3.407	10	20	DGCD	
Cn1ncc2c(NCc3ccc(N4CCCC4)cc3)ccnc21	286090336	KIPWBGVWQCNUIC-UHFFFAOYSA-N	307.401	3.181	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1C[C@H](c2cccc(F)c2)C1	280856989	ARXYZHOSLISNHA-KOMQPUFPSA-N	314.360	3.277	10	20	DGCD	
CCN1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1	809697794	OPFDDKQYESWXEW-QGZVFWFLSA-N	301.478	3.203	10	20	DGCD	
CC[C@@H](NCC1(SC)CCN(C)CC1)c1ccccc1O	810252339	BXLOXUFBBHEHPQ-OAHLLOKOSA-N	308.491	3.260	10	20	DGCD	
C[C@H](N[C@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1O	815620213	KKVCTNYBXVFGKK-YUMQZZPRSA-N	313.266	3.078	10	20	DGCD	
N[C@H](CCC(=O)NCc1ccccc1O)CC1CCCCC1	818212811	BVGZOWYBAVMXJO-MRXNPFEDSA-N	304.434	3.086	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1	816666673	SVHXDJUDXTVCLE-JKSUJKDBSA-N	311.784	3.328	10	20	DGCD	
CCO/C=C/C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	816826169	YUIWPYIFCJAKHS-SDNWHVSQSA-N	302.418	3.186	10	20	DGCD	
CO[C@@H](C)CCNC(=O)c1sccc1-n1c(C)ccc1C	726547828	GLBLHNVGKCTZGI-ZDUSSCGKSA-N	306.431	3.310	10	20	DGCD	
C[C@@H](NCc1cnn(CC(F)F)c1)c1ccc(N(C)C)cc1	814296470	BQAVUZOPUMBZJR-GFCCVEGCSA-N	308.376	3.065	10	20	DGCD	
O=C(O)Cc1cccc(NCc2cc(Cl)cc(F)c2O)c1	821539838	RSIQVXJLSQQCLC-UHFFFAOYSA-N	309.724	3.424	10	20	DGCD	
Cc1cc(CN2CCO[C@@H](C(F)F)C2)ccc1N1CCCCC1	829506380	UHRXPQJXHRZVOB-QGZVFWFLSA-N	324.415	3.451	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)[C@@H](O)Cc2ccccc2)cc1Cl	825370124	JLOMUDNOIBMGHH-GUYCJALGSA-N	319.832	3.436	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)CC1CCCCC1	734501192	FZJYLBMHAUOBMT-UHFFFAOYSA-N	324.490	3.061	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)CC2CCCCCC2)cc1	832267517	UKHTZXYXKUBTHD-GOSISDBHSA-N	317.477	3.229	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2C[C@@H](OC)C23CCC3)c1O	839182842	QILNZRSRYKPBPO-ZIAGYGMSSA-N	311.809	3.101	10	20	DGCD	
C[C@@H](OC(=O)c1cc(O)cs1)c1nc(-c2cccs2)no1	732352768	GKSKFBRORBQRDW-SSDOTTSWSA-N	322.367	3.483	10	20	DGCD	
CN(C(=O)c1cc(O)cs1)C(C)(C)CN1CCCCCC1	832517590	NKIJMSHQIWEHDJ-UHFFFAOYSA-N	310.463	3.180	10	20	DGCD	
CC[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C	743760193	KCDBOJPHPUTWKH-IBGZPJMESA-N	314.429	3.293	10	20	DGCD	
CN(C(=O)NCCc1ccc(N)cc1)C1CCC(F)(F)CC1	841956857	KWAYZYKYNAKXNS-UHFFFAOYSA-N	311.376	3.031	10	20	DGCD	
CCOc1ccc(CN(Cc2cnn(CC)c2)C(C)C)c(O)c1	846054799	GHOQUGYYYCNDPA-UHFFFAOYSA-N	317.433	3.418	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[C@H]3C2)cc1F	852084191	LWZURCBBQWZAGV-GJZGRUSLSA-N	319.424	3.223	10	20	DGCD	
C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1cc(F)cc(F)c1O	756402726	OFJXHUCIQTWUCA-YMTOWFKASA-N	307.344	3.132	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnc(C)n2C)cc1F	850128454	BXWSQKMAJQNDPJ-UHFFFAOYSA-N	304.413	3.004	10	20	DGCD	
Cc1nc2ccccn2c1CN(C)Cc1ccc(N(C)C)cc1	759468075	CIYRPDPPJKXOEU-UHFFFAOYSA-N	308.429	3.341	10	20	DGCD	
CC(C)(C)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	753588989	HDNVJXCZDXMJQW-KRWDZBQOSA-N	302.462	3.391	10	20	DGCD	
CCc1ccccc1CC(=O)NCc1cc(Cl)ccc1O	857548043	BCLLDXRSAZYPLC-UHFFFAOYSA-N	303.789	3.467	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)cn1	756380248	FQGRODMLDPITKY-MFKMUULPSA-N	302.349	3.273	10	20	DGCD	
C[C@H](O)c1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1	858106971	VPDWXYNBRQVWFP-LBPRGKRZSA-N	320.383	3.374	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@H](N2[C@@H](C)CC[C@H]2C)C1	768913122	FNZKBBRRKADQDI-XHSDSOJGSA-N	318.461	3.238	10	20	DGCD	
CC[C@H](NCCc1nnc2ccccn12)c1ccc(N(C)C)cc1	764642388	ZIUKKJFVBNCJKM-KRWDZBQOSA-N	323.444	3.079	10	20	DGCD	
Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccccc2O)c(F)c1	867834497	JZNCASIMBBPJBI-GFCCVEGCSA-N	323.389	3.020	10	20	DGCD	
c1ccc(C[C@H]2CCN2Cc2ccc(N3CCOCC3)cc2)cc1	769505528	CVUNOKKVMWWMFP-OAQYLSRUSA-N	322.452	3.340	10	20	DGCD	
CSCCCN(C)Cc1c(O)cccc1Br	862354245	POBNBLGSPIEODR-UHFFFAOYSA-N	304.253	3.340	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCN3CCCC[C@H]23)cc1	764966015	WXRFIIRMTLKWMR-ZYSHUDEJSA-N	301.478	3.420	10	20	DGCD	
CCCN1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)[C@@H]1CC	761577306	GBIMFAPVUSMQFR-CJNGLKHVSA-N	317.433	3.266	10	20	DGCD	
Cc1ccccc1-c1nc(CNCc2cc(F)ccc2O)no1	776266878	WYFWUGVNEKAJEZ-UHFFFAOYSA-N	313.332	3.180	10	20	DGCD	
CC(C)OCCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773438931	GOAWECFOIBLKNX-HNNXBMFYSA-N	321.465	3.318	10	20	DGCD	
CSc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1	773027369	VFCDCANVWIEDTI-GFCCVEGCSA-N	315.442	3.361	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@@H]1C[C@@H](O)c1ccco1	770319737	BGCYEBNKSIWDPJ-CZUORRHYSA-N	317.385	3.082	10	20	DGCD	
CC[C@@H](C)CN(CC)Cc1ccc(N2CCN(C)CC2)cc1	775732577	OYTNKJVBAKRNNM-QGZVFWFLSA-N	303.494	3.306	10	20	DGCD	
CC[C@H](NCCCc1nc(C)no1)c1cc(Cl)ccc1O	775518960	JQTQTXPMNYTWED-ZDUSSCGKSA-N	309.797	3.411	10	20	DGCD	
CCCCCN(CCCOC)C(=O)NCc1ccc(N)cc1	1120677898	ZSFSMKZGJBQITA-UHFFFAOYSA-N	307.438	3.007	10	20	DGCD	
C[C@H](O)C[C@@H](C)CN[C@H](C)c1cccc(C(F)(F)F)c1O	798184622	ZKJSHMNAELDDAY-OUAUKWLOSA-N	305.340	3.469	10	20	DGCD	
CC(C)(CCCO)CNCc1c(O)cccc1Br	706830487	YJCIMFMQOMGFGJ-UHFFFAOYSA-N	316.239	3.043	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cc(Br)cc(F)c2O)CS1	715768166	CACVMFSXYQUIKQ-GMSGAONNSA-N	320.227	3.277	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)OCC3CC=CC3)cs2)cc1	1327476423	NSJIFNGBKLQXHC-UHFFFAOYSA-N	314.410	3.439	10	20	DGCD	
OC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)c2ccccc21	1343973541	WMZIJJYYXUWXPH-KRWDZBQOSA-N	308.425	3.383	10	20	DGCD	
CN(Cc1ccccc1CF)c1ccc(OCC(=O)O)cc1	1598529385	GVIAYDSCHUDLQK-UHFFFAOYSA-N	303.333	3.256	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(=O)O)ccc2F)cc1F	1599584531	XFHCOJFVUHNUSI-UHFFFAOYSA-N	307.296	3.308	10	20	DGCD	
CC[C@@H](NCCCOC[C@H]1CCCO1)c1ccc(N(C)C)cc1	163500261	NQXQEAPVISPTDF-RTBURBONSA-N	320.477	3.379	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)Cc2cc(C)cc(OC)c2O)C12CCC2	164512559	CQSSEINRYDDPJN-SJORKVTESA-N	319.445	3.489	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	155815397	AMGJHNVOFOXYQL-DZGCQCFKSA-N	320.433	3.442	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccncc1	156470584	UACHKOSPRINPCG-OAHLLOKOSA-N	313.470	3.486	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@H](O)C(F)(F)F	865711830	RNWKCTLATMRRRI-RRAGMBSWSA-N	318.122	3.100	10	20	DGCD	
CCn1cc(CNCc2cc(Cl)cc(Cl)c2O)cn1	265530736	PRBFFVMLEZVSLB-UHFFFAOYSA-N	300.189	3.205	10	20	DGCD	
CS[C@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	108295535	KKLXVCCJNMQUQK-CQSZACIVSA-N	306.475	3.291	10	20	DGCD	
CCn1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)cn1	171805636	PVYVDKUYWMCWLS-RIYZIHGNSA-N	312.398	3.294	10	20	DGCD	
FC(F)(F)Oc1ccc2c(c1)CCCN2CCC1OCCO1	124783402	ZORLHZRNQJYYHG-UHFFFAOYSA-N	317.307	3.101	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC[C@H](C)N2CCCCC2)c1	186545745	ZACDAZUGMJXWDO-LSDHHAIUSA-N	306.450	3.316	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)CC1CCCC1	183488507	DRMJWRMBDCGDNN-STQMWFEESA-N	305.418	3.361	10	20	DGCD	
COC1CCC(CC(=O)NCc2ccc(N(C)C)c(F)c2)CC1	121466308	NLNSDISEFRSJHK-UHFFFAOYSA-N	322.424	3.103	10	20	DGCD	
C[C@H](NC[C@@H]1COc2ccccc2O1)c1ccc(N(C)C)cc1	319751314	UPTCBLVBCWTYEY-WMLDXEAASA-N	312.413	3.243	10	20	DGCD	
C[C@@H](Sc1nccs1)C(=O)Nc1cccc([N+](=O)[O-])c1	48874184	QLBDPMYFFCZSKJ-MRVPVSSYSA-N	309.372	3.171	10	20	DGCD	
CC[C@H]1CO[C@H](C)CN1Cc1cc(Br)ccc1O	131502938	XANRBDOJSYMPJW-MFKMUULPSA-N	314.223	3.154	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccco1	237390358	FBVOMMLHYNMZPF-CYBMUJFWSA-N	304.365	3.106	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1	244184976	VLGODHSDHIFYDH-UHFFFAOYSA-N	324.424	3.356	10	20	DGCD	
CCN(C[C@@H](O)c1ccccc1)c1ccc(OC)c(OC)c1	279685777	HIXFBHARRROIFI-MRXNPFEDSA-N	301.386	3.264	10	20	DGCD	
Nc1ccc(CC(=O)N2CCS[C@H](c3ccccc3)C2)cc1	364264215	XEILVVCMQZSWNF-KRWDZBQOSA-N	312.438	3.128	10	20	DGCD	
C[C@@H](NCc1cc(F)ccc1O)c1ccc([S@](C)=O)cc1	272421155	LZCQUHNYOGHGAQ-FIKIJFGZSA-N	307.390	3.120	10	20	DGCD	
CCC(CC)n1ncc(C(=O)NCc2ccccc2O)c1C	270232539	GURVXZYSXGKVSZ-UHFFFAOYSA-N	301.390	3.188	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCCN2CCC[C@H]2C1	378352356	VMSNXLZAISWEOH-FQEVSTJZSA-N	313.489	3.347	10	20	DGCD	
CC[C@@H]1CC[C@@H]1NCc1ccc(N2CCN(CC)CC2)c(F)c1	806137153	HIGKSKZEIXDONY-AEFFLSMTSA-N	319.468	3.246	10	20	DGCD	
CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1O	802657845	AOHRPDKWYPZLPQ-UHFFFAOYSA-N	304.321	3.114	10	20	DGCD	
C[C@H]1C[C@@H](O)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F	292688034	BDMBZOURCXNWOA-FZMZJTMJSA-N	316.367	3.117	10	20	DGCD	
Oc1c(CN[C@H]2CCN(CC(F)(F)F)C2)ccc2ccccc12	816544701	QANKVJAASTXKPE-AWEZNQCLSA-N	324.346	3.272	10	20	DGCD	
CC1CCN([C@H](C)CNCc2cc(Cl)c(F)cc2O)CC1	816543905	RHZMTWMMPXDTLH-GFCCVEGCSA-N	314.832	3.395	10	20	DGCD	
CCC/C(C)=C\C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819583103	SUUDJUQJZWHKAK-IRVMHKCDSA-N	316.445	3.384	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl	824597431	QZPWIVKHPDTGPY-GFCCVEGCSA-N	305.809	3.457	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCC(=O)C(C)(C)C)c1	825736965	OHXVAESDELQZBT-GFCCVEGCSA-N	321.417	3.364	10	20	DGCD	
COC(=O)CN(Cc1cc(OC)cc(C(C)(C)C)c1O)C(C)C	824581835	VXVCQKCQQCWQAR-UHFFFAOYSA-N	323.433	3.082	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(C(F)(F)F)CCC2)c1	825736516	BFHDOCMHSYFMHS-SECBINFHSA-N	317.307	3.311	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CCCC2CCCC2)cc1	832266019	CKYBRJIPHHHDTI-SFHVURJKSA-N	317.477	3.229	10	20	DGCD	
Cc1cc(O)c(CN2CCc3ccc(C(=O)O)cc3C2)cc1C	833747469	ZDSQFGQYZMKDCS-UHFFFAOYSA-N	311.381	3.266	10	20	DGCD	
CO[C@@H]1COCC[C@H]1CN[C@@H](C)c1ccc2ccccc2c1O	834880488	GFMYCZGXYFPQSW-DHSIGJKJSA-N	315.413	3.248	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	906994459	SEBGKIUPOGRDCO-FRFSOERESA-N	323.820	3.060	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C(C)C)C2(CO)CCCC2)c1	835064867	BSNARIDWMSZYPQ-QGZVFWFLSA-N	307.434	3.068	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC12CCC2	839920068	KIQORAMQMRCTJA-PBHICJAKSA-N	300.446	3.298	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(Cc3cccs3)CC2)c1	918067971	YXGZUGDWUHNODA-UHFFFAOYSA-N	316.470	3.388	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)N2CCC(C)CC2)cc1	746158912	KZTQAIKPBXACKX-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
CN(C)c1cccc(CCc2nc(Cc3ccc(N)cc3)no2)c1	843161111	POJVRORLONBARY-UHFFFAOYSA-N	322.412	3.094	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](CO)c1ccc(F)cc1	840961718	BUNKWCYAHWIYAD-QGZVFWFLSA-N	316.420	3.066	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1	843417039	OHUYYSQTPRAXGP-ZIAGYGMSSA-N	322.449	3.482	10	20	DGCD	
COCCCCC(=O)NCc1ccc(N2CCCCC2)cc1	746842089	NJJQQJSQVIPIEB-UHFFFAOYSA-N	304.434	3.110	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccc(N(C)C)cc1	840355015	VKCRXTJUZXZYSX-DAXOMENPSA-N	313.401	3.262	10	20	DGCD	
C[C@@H](NC(=O)N1CCCC(F)(F)C1)c1ccc(N(C)C)cc1	845124616	IJEFSNSAYJIEOC-GFCCVEGCSA-N	311.376	3.254	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCc2cc(C)ccc2F)c1	858517321	FRBFDQIWXOMJDD-UHFFFAOYSA-N	316.376	3.190	10	20	DGCD	
c1ccc(-n2ccnc2)c(CNCc2ccc3c(c2)CCCO3)c1	921591554	WIZPTHMHRMDZSF-UHFFFAOYSA-N	319.408	3.487	10	20	DGCD	
CN(CC(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2	756655431	STJQRUUZUQCRAP-UHFFFAOYSA-N	318.760	3.144	10	20	DGCD	
OCC[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1F	922213209	ZALJSBRDKRALFI-SFHVURJKSA-N	315.388	3.364	10	20	DGCD	
CC(C)N(Cc1cccs1)Cc1cc2c(cc1O)OC[C@H]2O	768442583	MBKHAUQWXQQPIZ-MRXNPFEDSA-N	319.426	3.290	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H](C(C)(C)O)C2)c1O	877796331	DDKSTYVBAKSYNF-LBPRGKRZSA-N	313.825	3.037	10	20	DGCD	
Cc1ccc(CN[C@H](CN(C)C)c2ccc(F)cc2)c(O)c1	877533765	RXHSUZJJVUZSAL-QGZVFWFLSA-N	302.393	3.232	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCCC[C@@H]2C)c1O	774982975	HHJHRSUXMNYVDV-RYUDHWBXSA-N	308.378	3.225	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(OC)ncn2)cc1F	772047037	IRVLZZBHNZNOOS-UHFFFAOYSA-N	304.369	3.083	10	20	DGCD	
COc1cccc(N2CC[C@@H](NCc3c(C)cccc3O)C2)c1	877004914	NPCHJDGHMOQZDD-OAHLLOKOSA-N	312.413	3.078	10	20	DGCD	
CCn1c(NC(=O)c2cc(O)cs2)nc2ccc(F)cc21	779326379	UXEDGQBONMUPAU-UHFFFAOYSA-N	305.334	3.215	10	20	DGCD	
CC(C)C[C@H](CNCc1ccc(N2CCCC2)cc1)C(=O)O	1118085798	LUXDCWFXIIJMOK-MRXNPFEDSA-N	304.434	3.123	10	20	DGCD	
C[C@@H](NC(=O)CSCC(F)(F)F)c1ccc(N(C)C)cc1	773013176	JGRSAKCYIGXAAF-SNVBAGLBSA-N	320.380	3.225	10	20	DGCD	
Cc1cc(Br)cc(CN2CCSC[C@@H]2C)c1O	775696400	KIWAAILOASVBNT-JTQLQIEISA-N	316.264	3.400	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CC[C@H]2SCCS[C@@H]12	883078598	WVCPLSHBJCPJEI-BZPMIXESSA-N	317.426	3.140	10	20	DGCD	
CC[C@H](N[C@H](C)CO[C@@H]1CCOC1)c1cc(Cl)ccc1O	775512321	JCQFWLNJFVXJMZ-KYOSRNDESA-N	313.825	3.280	10	20	DGCD	
COc1ccc(N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1OC	785442742	WHBCUIKDIYHAGI-LBPRGKRZSA-N	324.421	3.053	10	20	DGCD	
Cc1ccc(F)cc1COC(=O)/C=C/c1ccc(O)c(O)c1	782296497	SCEYHUPKQBEZGZ-QPJJXVBHSA-N	302.301	3.302	10	20	DGCD	
CC(C)[C@@H](CN[C@H](C)c1ccc(F)cc1O)c1ccnn1C	788260116	TXPRAEMNUFDNDA-IUODEOHRSA-N	305.397	3.355	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)CC1(N(C)C)CCC1	783744380	SOTKWLOIZOUGAU-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
CC[C@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1	783673774	NNCAEKGAVZHIBO-CYBMUJFWSA-N	320.385	3.430	10	20	DGCD	
CC(C)N(CC1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1	892485941	PJTDPDDMXUEQBB-UHFFFAOYSA-N	307.413	3.222	10	20	DGCD	
COC(=O)CCCOC(=O)c1sccc1-n1c(C)ccc1C	783129870	ZMIURBMORSVNMF-UHFFFAOYSA-N	321.398	3.266	10	20	DGCD	
O=C(Nc1cnc(-c2ccccc2)s1)c1cccc(O)c1O	790911115	LIKYIEIPXAQEJA-UHFFFAOYSA-N	312.350	3.474	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2C[C@H](O)C2(C)C)c(C(F)(F)F)c1	793095090	YJHHJBVLCKBTGO-KBPBESRZSA-N	316.367	3.020	10	20	DGCD	
CC(C)[C@](C)(O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792990194	QZIZTNDHEBBQDH-OAHLLOKOSA-N	318.383	3.268	10	20	DGCD	
C[C@@H](Cc1ccccc1Cl)NC(=O)c1cccc(O)c1O	790544500	XLZNDMWPZAAJCX-JTQLQIEISA-N	305.761	3.112	10	20	DGCD	
CCOc1ccc(CNC[C@H]2N(C)CCCC2(C)C)c(O)c1	790484683	HLEVOGISTQAUCV-QGZVFWFLSA-N	306.450	3.001	10	20	DGCD	
Cc1ccc(F)cc1CN(C)c1ccc(OCC(=O)O)cc1	1600430781	UMKPVVQUWWAFDQ-UHFFFAOYSA-N	303.333	3.234	10	20	DGCD	
O=C(O)CCC[C@H]1CCC[C@@H](NCc2c(O)cccc2F)C1	1608709305	LXUCPZCBVMVFPE-CHWSQXEVSA-N	309.381	3.435	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CC[C@@H](CN)C3)cc2)CC1	1576735249	YIZJFTOBKLYJJM-QZTJIDSGSA-N	301.478	3.140	10	20	DGCD	
CC(C)(C)c1cnc(SC[C@H]2C[C@]3(CCNC3)CO2)s1	1575277290	NEWLTNKUKYJGFB-ABAIWWIYSA-N	312.504	3.301	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CC[C@H](CN)C3)cc2)CC1	1576735251	YIZJFTOBKLYJJM-ZWKOTPCHSA-N	301.478	3.140	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](CC(=O)O)CC(C)(C)C)ccc21	1776884799	YINCYELRVYPUTP-INIZCTEOSA-N	318.461	3.438	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CSc2ccccc2F)cc1	19047591	OUEAWDNHLNTNTF-UHFFFAOYSA-N	318.417	3.300	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCO[C@@H](C)[C@@H]3C)c2c1	164144484	UEPZTZFAPDKDGX-STQMWFEESA-N	301.386	3.163	10	20	DGCD	
COc1ccc(N(Cc2cccs2)Cc2ncnn2C)cc1	157930647	FJFHKNVUUNTMDJ-UHFFFAOYSA-N	314.414	3.092	10	20	DGCD	
CCOCCN(CC)Cc1ccc(Br)cc1O	701171410	BNHWAFSAYMFSLV-UHFFFAOYSA-N	302.212	3.013	10	20	DGCD	
CCC[C@H](CCO)CNCc1ccc(Br)cc1O	691490020	VFLPTDFLGPNWNO-LLVKDONJSA-N	316.239	3.043	10	20	DGCD	
COCCCCN(C)Cc1ccc(Br)cc1O	691683326	RONFDWURQWASCL-UHFFFAOYSA-N	302.212	3.013	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN1CC[C@@H](CF)C1	715805938	NDXGIUPRXLXJDC-QMMMGPOBSA-N	306.150	3.085	10	20	DGCD	
Cc1ccc(F)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1	29702704	TWIKEVJTGDWJJD-UHFFFAOYSA-N	300.377	3.472	10	20	DGCD	
CSC[C@H](CCO)N[C@H](C)c1ccc(N2CCCCC2)cc1	305102989	AMUQJBJBBAJHIR-WBVHZDCISA-N	322.518	3.442	10	20	DGCD	
CN(C(=O)COc1ccc(F)cc1Cl)c1ccc(N)cc1	37902135	BNBKKFANKXINSP-UHFFFAOYSA-N	308.740	3.103	10	20	DGCD	
CC(C)OC(=O)[C@@H](C)N(C)Cc1cc(C(C)(C)C)cc(O)c1O	121633915	NSWZONTZPVEYLD-GFCCVEGCSA-N	323.433	3.167	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(C)C	75416575	NCNUSNSEHLQXFH-UHFFFAOYSA-N	300.196	3.159	10	20	DGCD	
CCOC(=O)CCCN(Cc1ccco1)Cc1ccccc1O	70975196	AOINZBXZYVQNQD-UHFFFAOYSA-N	317.385	3.331	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(CO)CCc3ccccc32)cc1	135909769	DKWJSAFSEYYLCN-NRFANRHFSA-N	324.468	3.456	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2cc(C(N)=O)cs2)cc1	192036851	FZEHVISVLCCWMJ-UHFFFAOYSA-N	304.415	3.271	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](C2CC2)C(F)(F)F)c1O	290178834	NOKJLSHVHXIWOP-GFCCVEGCSA-N	309.715	3.485	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cnn(CC)c1	195119129	YIBUQGJKDQAIIY-UHFFFAOYSA-N	302.378	3.053	10	20	DGCD	
CC[C@H](Oc1ccccc1C)C(=O)NCCc1ccc(N)cc1	237010980	DFNSCGQSZJNASP-KRWDZBQOSA-N	312.413	3.094	10	20	DGCD	
Oc1ccccc1CNC[C@H](c1ccco1)N1CCCCC1	238101654	GOTRTPFWQMBYIP-MRXNPFEDSA-N	300.402	3.302	10	20	DGCD	
CC[C@H](C)[C@H](OC)C(=O)NCc1c(C)c2ccccc2n1C	357144355	AOIHDRJGQTXKGQ-SJCJKPOMSA-N	302.418	3.164	10	20	DGCD	
Cc1n[nH]c(C)c1CCC(=O)NCc1c(C)c2ccccc2n1C	352124580	YFVDLNMQQIYGEY-UHFFFAOYSA-N	324.428	3.076	10	20	DGCD	
CSC1(CNCc2c(O)cccc2Cl)CCOCC1	266137532	GCJVAERKQBQSGR-UHFFFAOYSA-N	301.839	3.047	10	20	DGCD	
C[C@H](NC[C@@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1O	281147031	ORYAGSFWMGDQNP-VHSXEESVSA-N	300.305	3.386	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCCc3occc3C2)cc1	289655899	FEMSTAUIOKBDOG-UHFFFAOYSA-N	313.401	3.004	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(F)cc(F)c1	808095859	WDMNTXQEXCURBM-UHFFFAOYSA-N	312.312	3.086	10	20	DGCD	
CCN(CC)c1ccc(CNc2cccc(-c3nn[nH]n3)c2)cc1	393478454	ISBKRBSYPQPMFO-UHFFFAOYSA-N	322.416	3.325	10	20	DGCD	
C[C@H]1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1	807839270	KFBWYVRBDHSHNA-IUCAKERBSA-N	318.200	3.130	10	20	DGCD	
Oc1ccc2c(c1)OCCN(Cc1cc(Cl)cc(F)c1O)C2	809704824	IASUBWRARXCTGU-UHFFFAOYSA-N	323.751	3.285	10	20	DGCD	
CN(Cc1ccc(O)cc1)Cc1cc(Br)ccc1O	809753629	NOXMYOYMWPOFJP-UHFFFAOYSA-N	322.202	3.492	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1nn(C)cc1Cl	393288392	KFFLZXSYLAEBDO-PWSUYJOCSA-N	305.809	3.426	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C(=O)N2CCCC2)C(C)C)cc1Cl	825291207	GWAWQMLQHPYYTE-INIZCTEOSA-N	324.852	3.091	10	20	DGCD	
C[C@H]1CSCCN(Cc2ccc(Br)cc2O)C1	825693150	UKRCCMNSMKFIHO-SNVBAGLBSA-N	316.264	3.340	10	20	DGCD	
COc1cc(CN(C)Cc2nnc(C)o2)c(O)c(C(C)(C)C)c1	827039193	JWWURRUIPUDTEL-UHFFFAOYSA-N	319.405	3.022	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CC(=O)O)c2ccccc2F)cc1	904045977	SUPSFRRMMTWJGU-QGZVFWFLSA-N	316.376	3.197	10	20	DGCD	
CC(C)[C@@H]1C[C@H](CC(=O)N[C@H](C)c2ccccc2O)CCO1	827941742	XNUSRGLPZITQHY-CPUCHLNUSA-N	305.418	3.411	10	20	DGCD	
CN(C)c1ccc(CN[C@]2(C)CCCC[C@@H]2C(=O)O)cc1F	901820963	NCULDUUZZQSFSF-CXAGYDPISA-N	308.397	3.015	10	20	DGCD	
CCC1CN(Cc2cc(Br)cc(OC)c2O)C1	835075220	QKVQGTJPFFYHCV-UHFFFAOYSA-N	300.196	3.005	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CSCCC(C)C	734404078	FRCUKHGTEUDTJS-UHFFFAOYSA-N	308.491	3.457	10	20	DGCD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCc2ccc(N)cc2)o1	832653132	QBPSPYBBPISCGM-SUMWQHHRSA-N	312.413	3.277	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3ccccc3cc2O)c1	734015680	WBGZXMWNXSNNHL-UHFFFAOYSA-N	323.348	3.190	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)c(F)c(F)c1	734405242	AHGGVGBDTMNTMH-UHFFFAOYSA-N	322.330	3.408	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)CCN)c(C)n1-c1cccc(Cl)c1	834452386	HSGOOQUMMWQKHS-LLVKDONJSA-N	319.836	3.215	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@H]2CCC[C@H]2C2CC2)c1O	840398247	WRXHMEXIDNGIMC-HIFRSBDPSA-N	318.417	3.026	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCc2cc(O)ccc2C1	840940469	AHNVMSXCEWBUKT-SFHVURJKSA-N	310.441	3.414	10	20	DGCD	
CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(N)cc1	841956246	ZSTCELOQWRADFL-GDBMZVCRSA-N	319.449	3.211	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1(OC)CCC1	840455350	YNHVSRGCKWGZGT-CQSZACIVSA-N	320.433	3.271	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H](CCC(=O)O)C2)cc1	846281900	RUWHRXCGIJEZGY-HNNXBMFYSA-N	304.434	3.220	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cn1cc2ccccc2n1	748042459	SUBNFWLHKGYRKU-UHFFFAOYSA-N	323.396	3.181	10	20	DGCD	
OC[C@H](CCF)N[C@@H](CCc1ccccc1)c1ccccc1O	846210027	WFFPZWYUZGWFSF-WMZOPIPTSA-N	317.404	3.376	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@@H]1C1CC1	840491134	NWOCFMIQWKMGON-HBXAWUERSA-N	301.386	3.054	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCCC[C@@H]2CCC(=O)O)cc1	841813041	SLVUYVPNWNZEIH-NVXWUHKLSA-N	304.434	3.266	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H]2CCCC[C@H]12	841960934	YALVSZPMWFWBRE-KBRIMQKVSA-N	301.434	3.031	10	20	DGCD	
CC[C@@H](NCc1ncccn1)c1ccc(C(F)(F)F)cc1O	850552190	MQWGVIHBZSQESC-GFCCVEGCSA-N	311.307	3.442	10	20	DGCD	
COCc1csc(CN[C@H](C)c2cccc(OC)c2O)c1	850533278	URCKWOGDOQPHFR-LLVKDONJSA-N	307.415	3.460	10	20	DGCD	
c1cc(N2CCCC2)ncc1CNCc1ccc2c(c1)CCCO2	921520542	IAPXAQYUYTYNLV-UHFFFAOYSA-N	323.440	3.297	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c1	858162197	RTYOMQXJFXYNCM-JKSUJKDBSA-N	314.360	3.195	10	20	DGCD	
C[C@@H](NC(=O)CC1CCCC1)c1ccc(N2CCOCC2)cc1	920879869	XAIJQSQMZVLXBF-OAHLLOKOSA-N	316.445	3.281	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)CN2CCC(C)CC2)c1O	850387660	XHVRUIXRGFZLGA-HNNXBMFYSA-N	306.450	3.001	10	20	DGCD	
C[C@H](N[C@@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1O	756713036	SNGYICKWAUVLAZ-VFZGTOFNSA-N	311.303	3.194	10	20	DGCD	
COc1cccc(O)c1CN1CCOC2(CCCCCC2)C1	769513669	FJUQBNOZNXYQIB-UHFFFAOYSA-N	305.418	3.326	10	20	DGCD	
CC(C)(C)c1cnc(SCC2(CS(C)(=O)=O)CC2)s1	767208766	GOPWMAOHTZHVMV-UHFFFAOYSA-N	319.517	3.358	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)ccc1O	779381633	MCSUEGFVTCCEAX-UHFFFAOYSA-N	310.397	3.013	10	20	DGCD	
O=C(Nc1ccc(Nc2ncccn2)cc1)c1cc(O)cs1	774572057	IZIWBPMYQHALLD-UHFFFAOYSA-N	312.354	3.240	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N1CCCc2ccccc21	879649717	SWXCBDMROIEUPZ-CABCVRRESA-N	324.424	3.411	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)no1	874231289	IZRXKWVYNQDUIH-UHFFFAOYSA-N	307.781	3.056	10	20	DGCD	
COc1ccc([C@@H](OC)[C@H](C)NCc2cc(F)ccc2O)cc1	779106330	NLQTVVRNXMLRAA-SGTLLEGYSA-N	319.376	3.406	10	20	DGCD	
CN1CCN(c2ccc(CNc3ccnc(Cl)c3)cc2)CC1	882880427	RJAQHTITNJVCTC-UHFFFAOYSA-N	316.836	3.099	10	20	DGCD	
CCCOc1ccc(CN[C@@H](CCO)C(F)(F)F)cc1C	886370043	VALQNCHDVDKIOH-AWEZNQCLSA-N	305.340	3.187	10	20	DGCD	
Cc1ccn(C)c1C(=O)NCc1ccc(N2CCCCC2)cc1	784366827	RFLUXJLZZCZOHS-UHFFFAOYSA-N	311.429	3.254	10	20	DGCD	
CC(C)(CNC(=O)Cc1ccc(N)cc1)c1ccccc1F	82700144	CQRIQHKMYOKLCR-UHFFFAOYSA-N	300.377	3.044	10	20	DGCD	
O=C(NCCCSc1nccs1)N1CCC=C(Cl)C1	893641422	GLWBAVIJJCTMDG-UHFFFAOYSA-N	317.867	3.163	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@](O)(c2ccccc2)C1	895391987	IVDIPFVNSHMUPB-GOSISDBHSA-N	319.351	3.154	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H](F)CC2CCCCC2)c1	793688387	FUJLPZNHBHYJDL-OAHLLOKOSA-N	309.381	3.326	10	20	DGCD	
C[C@@H]1[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)CCC[C@H]1C	797763329	RKJYIEZLLHQVPG-TWRWCVTOSA-N	303.402	3.300	10	20	DGCD	
C[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)[C@@H]1CCN	1326465728	WIIKHYJAHVXZDP-VQIMIIECSA-N	301.478	3.236	10	20	DGCD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(N)cc1	1353394266	XHDHBQPDBWEFCK-ACJLOTCBSA-N	309.413	3.392	10	20	DGCD	
CCSc1cccc(CNCc2ccc(C(=O)O)cc2O)c1	1776952357	CDOKIZHHCMCVQY-UHFFFAOYSA-N	317.410	3.492	10	20	DGCD	
CCOc1ccc(N(C)Cc2nc([C@@H](C)OCC)no2)cc1	150733408	KJQDSWRFCUOJAV-GFCCVEGCSA-N	305.378	3.202	10	20	DGCD	
Cc1c(CNC(=O)c2cc(C)n(-c3ccccc3)c2C)cnn1C	179892103	UWGKLWZYNHCEIW-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
COc1ccc([C@@H](CO)N(C)Cc2c(O)cccc2Cl)cc1	126422006	WYLVGWGBEKYZQY-MRXNPFEDSA-N	321.804	3.220	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2sc(C)nc2C)c1	185402780	GYBHXOAAEWXVSC-JTQLQIEISA-N	306.431	3.367	10	20	DGCD	
COc1ccc(N(C)CCOc2ccccc2[N+](=O)[O-])cc1F	121803741	FDEIFUCVFZTCRG-UHFFFAOYSA-N	320.320	3.258	10	20	DGCD	
CCCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	71798970	MKMWJCLKKPQDML-INIZCTEOSA-N	305.418	3.480	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC1CCC(C(=O)O)CC1	316409341	YXXSJHTVZWECIR-BLYZHGLHSA-N	303.402	3.482	10	20	DGCD	
COCCC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1	133614838	WLJNJRJPMURPBL-UHFFFAOYSA-N	317.429	3.094	10	20	DGCD	
CC(C)COCCCNCc1cc(Br)ccc1O	227435371	RFEBXXJGELXNMW-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
CNC(=O)c1ccc(C)c(NCc2c(O)cccc2Cl)c1	149173156	BAPAVBXIXCUAKK-UHFFFAOYSA-N	304.777	3.326	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ccc(-n3ccnc3)nc2)c1	363853942	LFFDFASGSTXYKI-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
Cc1nc2ncnn2c(NCc2c(C)c3ccccc3n2C)c1C	530429194	IBPYPGVRPOMBAZ-UHFFFAOYSA-N	320.400	3.153	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1c1ccccc1	365506402	HSHOUSASRQRYMN-KRWDZBQOSA-N	310.397	3.020	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@@H](O)CCc1ccccc1	273179302	XJKWFTIMSCEVPV-AWEZNQCLSA-N	305.805	3.129	10	20	DGCD	
CCn1cnnc1CN[C@H](C)c1cc(Cl)c(Cl)cc1O	278323651	VHRYZBUUGYUFGA-MRVPVSSYSA-N	315.204	3.161	10	20	DGCD	
CC[C@H](N[C@H](C)CO[C@H]1CCOC1)c1cccc(Cl)c1O	287577877	HDPDGSGDIAVFOY-XUJVJEKNSA-N	313.825	3.280	10	20	DGCD	
COc1cc(O)c(CN(C)C2CCC(F)(F)CC2)cc1OC	290288520	ZZHJPEMCAJMZMH-UHFFFAOYSA-N	315.360	3.419	10	20	DGCD	
OC[C@@]1(CNCc2cccc(Cl)c2O)C[C@H]1c1ccccc1	291692099	YFFMVJNLVLWSHH-YJBOKZPZSA-N	317.816	3.301	10	20	DGCD	
CCc1cc(NC(=O)NCc2cccc(OC)c2O)ccc1F	806558074	RBSWAIROYIPPTJ-UHFFFAOYSA-N	318.348	3.424	10	20	DGCD	
CCn1cnnc1NC(=O)c1cc(C)ccc1-n1c(C)ccc1C	803527778	BONREGUDRRRVDG-UHFFFAOYSA-N	323.400	3.266	10	20	DGCD	
COc1cc(N(C)CC2(SC)CCC2)cc(OC)c1OC	290973758	XRXCUOCOLBGUGD-UHFFFAOYSA-N	311.447	3.434	10	20	DGCD	
CCCCN(C)C[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	810245212	UVGCPXRGMUKAOK-OLZOCXBDSA-N	309.410	3.071	10	20	DGCD	
CN1CCN(Cc2cccc(Cl)c2O)c2ccccc2C1	816618124	PILUMDSNAKGEOV-UHFFFAOYSA-N	302.805	3.498	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@@H]2CCc3c(F)cccc32)cc1	817938974	WQVJFQPUHLHANZ-RBUKOAKNSA-N	313.420	3.169	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C)C[C@@H](CO)C2)cc1F	817412342	IYJVKHKKRYYZIH-GOEBONIOSA-N	308.441	3.122	10	20	DGCD	
CC[C@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	822197214	QGFVVDXERRSVIY-YJBOKZPZSA-N	316.445	3.170	10	20	DGCD	
CC[C@@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(F)cc1O	903063017	AXTIGQCOPZPVFJ-UKRRQHHQSA-N	306.385	3.098	10	20	DGCD	
Cc1ccc(F)c(CC(=O)NCc2ccc(N(C)C)cc2)c1	822226879	LKEPIXHTOOLOIO-UHFFFAOYSA-N	300.377	3.059	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H](C)[C@@](C)(CO)C2)cc1F	827698651	AEJABOGYEVTOMX-KBXCAEBGSA-N	308.441	3.122	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C(=O)O)C1	902014805	GPCNROZPTMWEBR-MAUKXSAKSA-N	316.445	3.362	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)C(C)(C)C)c1	734533602	JAGFGWMYHJTLFU-VXGBXAGGSA-N	308.422	3.443	10	20	DGCD	
C[C@@H](NCc1nc(N)c2ccccc2n1)c1ccc(N(C)C)cc1	839563183	HSDJDFZPCIQWPL-CYBMUJFWSA-N	321.428	3.129	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1nc(C)cc(C)c1[N+](=O)[O-]	833681176	VZOPPOBTHXHABB-UHFFFAOYSA-N	320.301	3.039	10	20	DGCD	
Cc1ccc([C@@H](C)C(=O)NCc2ccc3c(c2)CCCN3C)o1	742597393	XMJMUKKUXRABNM-CQSZACIVSA-N	312.413	3.390	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC([C@H](C)CO)CC2)cc1	846058500	QDKKKEIQNLORHN-MRXNPFEDSA-N	304.478	3.373	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1cccnc1	840487725	HSDZJDVMEFRJBA-AWEZNQCLSA-N	312.417	3.209	10	20	DGCD	
Cc1cc(NC(=O)NCCc2ccc(N)cc2)ccc1N(C)C	841037438	QGJICYUSVBMXNE-UHFFFAOYSA-N	312.417	3.007	10	20	DGCD	
COc1cc(C)cc(CN(C)[C@@H]2C[C@H](OC)C23CCC3)c1O	840143720	XGMYWQQADWRJCG-CVEARBPZSA-N	305.418	3.099	10	20	DGCD	
CC(C)(C)c1ncc(CNCc2cc(Cl)ccc2O)cn1	846055857	QKMOJFCIJLUWPS-UHFFFAOYSA-N	305.809	3.423	10	20	DGCD	
CC[C@H](N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1	840892794	DEYZJTAKCSDNMA-SUMDDJOVSA-N	304.478	3.397	10	20	DGCD	
CC[C@@H](C)n1ncc(NC(=O)NCCc2ccc(N)cc2)c1C	841214446	KSMODFKLYMTPMN-GFCCVEGCSA-N	315.421	3.109	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1O	846161350	YAXRVQFVVYWUMS-KYABYICQSA-N	317.429	3.399	10	20	DGCD	
C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccco1	840763882	ZUMXVMGYDANNTM-GFCCVEGCSA-N	322.355	3.245	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1cncnc1C	848552957	GTBAUIXLNMPTOR-GOEBONIOSA-N	312.461	3.441	10	20	DGCD	
C[C@@H](N[C@H]1C[C@H](CO)C1)c1ccc(N2CCCCCC2)cc1	927151100	CJQWZLNEODACKC-JFIYKMOQSA-N	302.462	3.489	10	20	DGCD	
C[C@H]1CCC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	850405859	IEFZHNOMWGEMSW-DOTOQJQBSA-N	302.462	3.316	10	20	DGCD	
CC[C@@H](NCc1c(O)cccc1Br)[C@H](O)C(C)C	858177858	HIVRWMSGMYKUOY-TZMCWYRMSA-N	316.239	3.040	10	20	DGCD	
CO[C@H](CN[C@H](C)c1ccc(Br)cc1O)C(C)C	756628078	VEFIAZPXFHGOCJ-QMTHXVAHSA-N	316.239	3.476	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2nonc2C)cc1F	925013185	KTRGPEOBQRHVPG-NSHDSACASA-N	306.385	3.214	10	20	DGCD	
C[C@@H](NCCN1CCC[C@H]1C)c1cc2c(cc1O)CCCC2	756614936	CIEVMOFBOAHOOQ-HUUCEWRRSA-N	302.462	3.406	10	20	DGCD	
COc1cc(O)c(CN2CCc3c(C)cccc3C2)cc1OC	768449177	FCWVGHXQWIIXQY-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCn2ccnc2C)cc1	766240047	ULCUYWUONYNCFM-UHFFFAOYSA-N	300.450	3.170	10	20	DGCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(-c2ccccc2)ccc1O	765794502	CTLACDVCANISMH-MSOLQXFVSA-N	324.424	3.064	10	20	DGCD	
Cc1cc(C)c(C)c(OCCC(=O)NCc2ccccc2O)c1	769362926	ABUJCPNFHDFGQO-UHFFFAOYSA-N	313.397	3.403	10	20	DGCD	
COCC1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1	863166373	YZUXKHJSJSTLHB-UHFFFAOYSA-N	312.413	3.137	10	20	DGCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](c2ccsc2)O1	760140192	GGHBFDNQLMQQDL-CABZTGNLSA-N	309.412	3.117	10	20	DGCD	
CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1	773020651	PXRXMBNLLIAIEK-LBPRGKRZSA-N	301.390	3.355	10	20	DGCD	
CN1CCN(c2ccc(CNC(C)(C)c3ccccc3)cc2)CC1	771818848	MOFACGPIYOSISL-UHFFFAOYSA-N	323.484	3.463	10	20	DGCD	
CN(C)[C@@H](CNCc1cc(F)cc(F)c1O)c1ccc(F)cc1	882904506	AUBVZFYMNWNREO-INIZCTEOSA-N	324.346	3.202	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1cccnc1[N+](=O)[O-]	886192075	GHRMXQYXZUUANJ-UHFFFAOYSA-N	315.373	3.498	10	20	DGCD	
CC[C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)C1	775023795	MDIXZIKHQBMSCJ-WCQYABFASA-N	308.378	3.367	10	20	DGCD	
Cn1c(CNCc2cc(F)ccc2O)nc2cc(Cl)ccc21	779190707	FLZQMSGSKOLPAS-UHFFFAOYSA-N	319.767	3.361	10	20	DGCD	
CC(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	784076882	HXJROGXVYYHYRE-HNNXBMFYSA-N	318.461	3.383	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@](C)(CC)OC)cc1	794903343	TUZJKQZTGDYVKB-GOSISDBHSA-N	306.450	3.306	10	20	DGCD	
O=C(Nc1ccnc(-c2ccccc2)c1)c1cccc(O)c1O	790702393	YEYBCQMHHSRJQT-UHFFFAOYSA-N	306.321	3.412	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O	796735949	BCHONCGTRYXNIP-YPMHNXCESA-N	320.330	3.209	10	20	DGCD	
CCN(Cc1ncnn1-c1ccccc1)c1ccc(OC)cc1	799129828	WXASBTSQRWYIDD-UHFFFAOYSA-N	308.385	3.302	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c1	1320893474	LWMAXAMBIBHFAP-UHFFFAOYSA-N	303.406	3.053	10	20	DGCD	
CC[C@H](NCc1c(O)nnc(C)c1C)c1cccc(Cl)c1O	1258391611	LQVZPLATFKNZSM-AWEZNQCLSA-N	321.808	3.399	10	20	DGCD	
C[C@H](OC1CCCCC1)C(=O)NCc1cc(Cl)ccc1O	1349649258	CADJQOQXJQRKCS-NSHDSACASA-N	311.809	3.400	10	20	DGCD	
O=C(O)[C@@H]1C[C@H](N[C@@H]2CCc3cccc(O)c32)c2ccccc21	1594900418	OBDKHNXVUHCFJQ-OAGGEKHMSA-N	309.365	3.282	10	20	DGCD	
CC[C@](NCc1cc(F)cc(F)c1O)(C(=O)O)c1ccccc1	1595299548	XPWMSZKILFRLNO-QGZVFWFLSA-N	321.323	3.150	10	20	DGCD	
CCN(Cc1ccc(-c2nn[nH]n2)cc1C)c1ccc(OC)cc1	1590719559	FVKQHHDGIBXSGH-UHFFFAOYSA-N	323.400	3.210	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccncc2)c1O	153841432	JVURZQRSENETBP-QGZVFWFLSA-N	314.360	3.466	10	20	DGCD	
CO[C@H]1CCN(Cc2cccc(Br)c2O)C[C@H]1C	824814618	BVYWRTIMJRFLGC-MFKMUULPSA-N	314.223	3.012	10	20	DGCD	
Cc1csc(CNCc2c(O)cccc2Br)n1	706821696	MTCFQEZPRIDKGE-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
Cc1ccc(NC(=S)NNc2ccccc2[N+](=O)[O-])cc1F	7351009	YGIKMYDMHHKIDT-UHFFFAOYSA-N	320.349	3.356	10	20	DGCD	
Oc1cc2c(cc1CNCCc1ccc(Cl)cc1)OCO2	42879395	GUSOCURRJWADMP-UHFFFAOYSA-N	305.761	3.107	10	20	DGCD	
CCOc1cccc(CNC[C@H](c2cccs2)N(C)C)c1O	74336708	JUPFBGZHBVOXRR-CQSZACIVSA-N	320.458	3.245	10	20	DGCD	
Fc1cc(Cl)cnc1NCc1ccc(N2CCOCC2)cc1	79296889	ZIGPTXVOIANGIS-UHFFFAOYSA-N	321.783	3.323	10	20	DGCD	
Cc1occc1CN(C)Cc1ccc(N2CCOCC2)cc1	92438594	FRFDJTVXBMDSRC-UHFFFAOYSA-N	300.402	3.057	10	20	DGCD	
Cc1cc([N+](=O)[O-])cnc1NCc1c(O)ccc2c1CCCC2	92657999	ZVISUGDFNBTANT-UHFFFAOYSA-N	313.357	3.495	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)[C@H]1CCCO1	128802975	IFJYJRMRMWMMNW-NVXWUHKLSA-N	320.433	3.271	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)[C@H](C)CC(C)C)c(OC)c1	131801060	PJUJCHHWHYNANE-CQSZACIVSA-N	322.449	3.033	10	20	DGCD	
CC1CCN(c2ccc(CNc3ccnc(C(N)=O)c3)cc2)CC1	132186188	XANLDGHUVUNKSU-UHFFFAOYSA-N	324.428	3.029	10	20	DGCD	
Cc1cccnc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1	154616431	IMWSPAMPHZENCI-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc([S@](C)=O)cc1	160548596	XGINOKLIHLBKJL-JLCFBVMHSA-N	316.470	3.341	10	20	DGCD	
CCCN(CC(=O)OC)Cc1cc(Cl)cc(Cl)c1O	178871353	UBGILXHZFMXDHF-UHFFFAOYSA-N	306.189	3.084	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C	179302967	SNQQCLSPMVFODA-JKSUJKDBSA-N	315.461	3.474	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cc(C#N)ccc2OC)c1	182357410	NHKDXNFSIQWLGI-LBPRGKRZSA-N	312.369	3.132	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc(F)ccc1O	185350927	IZRGUDQPFFKTHI-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@@H](C)c2cc(C)ccc2O)c1	185418870	BQQCPPQKMLJQLE-UGSOOPFHSA-N	301.386	3.093	10	20	DGCD	
CC[C@H](C)[C@@H](O)CN[C@@H](C)c1cc(Br)ccc1O	185438189	YBEPKMUIOWCNDU-BHDSKKPTSA-N	316.239	3.212	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1	185464171	BWUFORWYRUTNCC-GOEBONIOSA-N	324.424	3.436	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCO[C@]3(CCSC3)C2)c(O)c1	186136686	YHTOZPGJOFFGBG-JKIFEVAISA-N	307.459	3.406	10	20	DGCD	
CCc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(O)c1	188753850	QMVWNMIUSCTWFE-UHFFFAOYSA-N	312.413	3.293	10	20	DGCD	
COc1cc(Cl)cc(CN2CCSCC[C@H]2C)c1O	191816913	MJNRMUUVJXGFQX-SNVBAGLBSA-N	301.839	3.382	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CC[C@H](C(=O)OC)C2)cc1	193881809	OAIXTTVIGILNIS-VNQPRFMTSA-N	304.434	3.135	10	20	DGCD	
CNC(=O)CCCN[C@@H](C)c1ccc(N2CCCCCC2)cc1	268835173	PJUUTHHVSHENKM-INIZCTEOSA-N	317.477	3.244	10	20	DGCD	
C[C@H](NC[C@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1O	278479062	OOZFMGWXYZYGDI-WCQYABFASA-N	310.388	3.338	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	286686933	GKMXXWGWTZMWLJ-SOUVJXGZSA-N	303.402	3.321	10	20	DGCD	
CC[C@@H](NCCCOCCO)c1cc(Cl)cc(Cl)c1O	287601314	IPGJJEWAFGCUHL-CYBMUJFWSA-N	322.232	3.139	10	20	DGCD	
CC[C@H](N[C@@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1O	287669317	MCVAHGSYARCWAT-UFBFGSQYSA-N	319.232	3.216	10	20	DGCD	
CC(C)(C)CCS(=O)(=O)Nc1cc(Cl)c(O)cc1F	290535040	OQHQGBLTSAONOO-UHFFFAOYSA-N	309.790	3.363	10	20	DGCD	
CC(C)(C[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1)C(N)=O	294677451	BFVWQHOETCHLOE-LBPRGKRZSA-N	324.852	3.159	10	20	DGCD	
CCc1ncnc(NCc2c(O)ccc3c2CCCC3)c1F	301894819	BDZJZGBLZRZHOS-UHFFFAOYSA-N	301.365	3.375	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(=O)Nc3cc(F)ccc32)c1	378133634	ZMLWHCXELYBIAK-UHFFFAOYSA-N	300.333	3.189	10	20	DGCD	
O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(Cc1c(O)ccc3ccccc13)C2	394664210	PBUZKJHZPJTCNX-SRCQZFHVSA-N	311.381	3.231	10	20	DGCD	
CC(C)Oc1ccc(N(C)C(=O)c2ccccc2CCN)cc1	517037626	CGBJNRJXLPBKIB-UHFFFAOYSA-N	312.413	3.252	10	20	DGCD	
C[C@H](c1cccc(O)c1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	588407483	WLSBKIGIRAUXJH-ZVTBTPLYSA-N	313.353	3.036	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC[S@](=O)c1ccccc1	729470406	MSMUDNJKHGRDNM-QFIPXVFZSA-N	315.438	3.256	10	20	DGCD	
CCN(CC)C[C@@H](C)NCc1ccc(N(CC)CC)c(F)c1	740004542	PIQFJUAICHJFBN-OAHLLOKOSA-N	309.473	3.492	10	20	DGCD	
COC(C)(C)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C	743657070	ZGTRBAFZSFPLIZ-AWEZNQCLSA-N	321.465	3.064	10	20	DGCD	
CCC[C@](C)(O)CNC(=O)c1sccc1-n1c(C)ccc1C	743771490	FJNWGHBMRNSIJT-KRWDZBQOSA-N	320.458	3.437	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(F)(F)C(F)F)cc1	749351409	WNDALLKXQNRKGB-UHFFFAOYSA-N	306.303	3.049	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1C[C@H]1C1CC1	751306037	OPGZCXXLYIHWAY-UONOGXRCSA-N	318.380	3.381	10	20	DGCD	
C[C@H](CC(=O)NCc1ccccc1O)c1ccc(F)cc1F	752128839	GLBALMZIUUOKMG-LLVKDONJSA-N	305.324	3.480	10	20	DGCD	
CSc1cc(O)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1	754746675	JWMNMEFNPYXOAA-XVNBXDOJSA-N	317.366	3.177	10	20	DGCD	
C[C@@H](N[C@H]1CCCc2c1cnn2C)c1cc(F)cc(F)c1O	756402720	OFJXHUCIQTWUCA-OTYXRUKQSA-N	307.344	3.132	10	20	DGCD	
COCCOC[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	756731991	FHTFSFZZPNDKRH-UWVGGRQHSA-N	322.232	3.401	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@H](C)c1cc(OC)ccc1O	757652883	GONDENUWEGJFFR-ZIAGYGMSSA-N	319.401	3.292	10	20	DGCD	
O=C([C@H]1CC12CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1	760124798	MAMXTNQPRZUWRZ-HZPDHXFCSA-N	315.413	3.090	10	20	DGCD	
CCCCCCN(CCN1CCOCC1)Cc1ccccc1O	770510865	STDXSARPSWUSPZ-UHFFFAOYSA-N	320.477	3.107	10	20	DGCD	
Cc1cccc(NC(=S)NCc2ccc(OC(F)F)cn2)c1	773201430	SRZVDEPUOJPCSD-UHFFFAOYSA-N	323.368	3.478	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCSc1ccccc1	784281536	RRWMLOJTZLMYSV-CLFYSBASSA-N	316.378	3.447	10	20	DGCD	
COC(=O)COc1ccc(N(C)CCCc2ccccc2)cc1	784561320	QQPJFRGOLYSGHF-UHFFFAOYSA-N	313.397	3.307	10	20	DGCD	
Cc1ccc(N2CCNC2=O)cc1NCc1ccc(N(C)C)cc1	785547309	MNEMGRLCCYMYJL-UHFFFAOYSA-N	324.428	3.203	10	20	DGCD	
CC(C)N(CCNCc1c(O)ccc(Cl)c1F)C(C)C	790946492	CFVDPLOYTFQBJT-UHFFFAOYSA-N	302.821	3.393	10	20	DGCD	
CN(C)CCN(Cc1c(O)ccc(Cl)c1F)C1CCCC1	792174578	JQJCKBGJNBTMMX-UHFFFAOYSA-N	314.832	3.491	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c(O)c1	796629707	IUBKJIYPCPSNPU-IHRRRGAJSA-N	320.433	3.272	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(C)C1)c1cc(Cl)cc(Cl)c1O	806137098	GVSXAQAOJQKATQ-MFKMUULPSA-N	303.233	3.444	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCOC[C@@H]2CCOC2)c(O)c1	815582254	BDLRYPPQFJWQND-HOTGVXAUSA-N	307.434	3.103	10	20	DGCD	
Cn1cnnc1[C@H]1CCCN1Cc1ccc2ccccc2c1O	816517468	QQIYJLFFMMZLKC-MRXNPFEDSA-N	308.385	3.011	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)c(F)cc2O)c(O)c1	816597128	FSMCBSKBPWHRNB-UHFFFAOYSA-N	311.740	3.189	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@@H]2CCCc3sccc32)cc1	817938748	RHCNELAYAHIGIU-DLBZAZTESA-N	315.486	3.481	10	20	DGCD	
COC(=O)c1csc([C@@H](C)NCCc2ccc(N)cc2)c1	817957409	MBRGWCFFENXPFY-LLVKDONJSA-N	304.415	3.010	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](c2ccco2)N(C)C)cc1Cl	825051263	ZCHRDCARIFWQTP-CQSZACIVSA-N	308.809	3.340	10	20	DGCD	
COc1cccc(CN2CCC([C@@H]3CCCCO3)CC2)c1O	827377184	RPAZLRNYXOIHLG-INIZCTEOSA-N	305.418	3.182	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1[C@H]2CC[C@H]1COC2	838096021	SKIHJVKMVUYLCC-KBPBESRZSA-N	316.426	3.159	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@H](CO)c2ccc(F)cc2)c1	840882091	SSHPEKUAPQDAGO-DZGCQCFKSA-N	303.377	3.266	10	20	DGCD	
CCO[C@@H](CCN(C)C)CN[C@@H](C)c1ccc(Cl)cc1O	841758044	KBQQCFLOGYQXNT-JSGCOSHPSA-N	314.857	3.053	10	20	DGCD	
CCOc1cccc(CN[C@H](CCO)c2ccccc2F)c1O	842762098	ATIFEWZBJPDIJB-MRXNPFEDSA-N	319.376	3.143	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@H]1CCO[C@H](C(F)(F)F)C1	846056259	RYXGEGOCWHWGCM-JQWIXIFHSA-N	309.715	3.245	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H]2CCCN(CC(C)C)C2)c1O	846155980	JLEDUOVQPXTYOO-HZPDHXFCSA-N	320.477	3.419	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](OC3CCC3)C2)c1O	847038625	USWMAJBTYJKHOP-INIZCTEOSA-N	321.392	3.267	10	20	DGCD	
COc1ccc(CN[C@H](CO)c2ccc(F)cc2F)cc1C	850410414	MEIYXWBPUHIGOM-MRXNPFEDSA-N	307.340	3.105	10	20	DGCD	
CON(C)CCN[C@@H](CCc1ccccc1)c1ccccc1O	850479461	ULPOWKJPYZGEJZ-SFHVURJKSA-N	314.429	3.149	10	20	DGCD	
CC[C@@H](CC(F)F)CN(C)c1ccc(OCC(=O)OC)cc1	851924311	NAKRCJOMAZHPOY-LBPRGKRZSA-N	315.360	3.356	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2nccn2C)cc1	856275858	IYDKPRSPFWUGLH-OAHLLOKOSA-N	322.412	3.319	10	20	DGCD	
Cc1nnc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)s1	858156204	DQOKTBIBLTYTBD-MRVPVSSYSA-N	312.389	3.042	10	20	DGCD	
CCC[C@H](CNC(=O)NCc1cc(Cl)ccc1O)OCC	858683910	YGQKINLNYMJIAY-CYBMUJFWSA-N	314.813	3.050	10	20	DGCD	
CC[C@H](C)n1nc(NC(=O)NCc2cc(C)ccc2O)cc1C	860879560	CFVGGUOPMGQTFR-LBPRGKRZSA-N	316.405	3.498	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c1	862756908	AEGIGFLDISBZMS-YOEHRIQHSA-N	305.418	3.158	10	20	DGCD	
CC(C)Nc1ccccc1NCc1cc(=O)n2ccsc2n1	871847539	SYIWWLWCTTZHKU-UHFFFAOYSA-N	314.414	3.188	10	20	DGCD	
Cc1cccc(O)c1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1	876810521	ANJPUINYTUSPRM-MAUKXSAKSA-N	300.446	3.149	10	20	DGCD	
C[C@@H](NCCOCC(F)(F)C(F)(F)F)c1ccccc1O	879648809	AMGVNSHJOWKALF-SECBINFHSA-N	313.266	3.257	10	20	DGCD	
CN(C)Cc1ccc(NCc2cc(F)cc(F)c2O)c(F)c1	883146021	WXWRMFUTDYCWIJ-UHFFFAOYSA-N	310.319	3.483	10	20	DGCD	
C[C@H](NC1CCN(CC(F)(F)F)CC1)c1c(O)cccc1F	886520716	LABAPVGJZYFMQJ-JTQLQIEISA-N	320.330	3.209	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2c(O)cccc2F)s1	886629538	HRWDXTVXBZMKQD-DTWKUNHWSA-N	324.377	3.186	10	20	DGCD	
CN(C)c1ccc(CN[C@@]2(C)CCCC[C@H]2C(=O)O)cc1F	901820968	NCULDUUZZQSFSF-GUYCJALGSA-N	308.397	3.015	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCn3cccc3C2)c1	905743843	ALGNUCCKDSIPRA-UHFFFAOYSA-N	300.402	3.213	10	20	DGCD	
CCCC[C@H](C)C(=O)NCCNCc1ccc(OC)c(C)c1	1126578658	FEFRXAYQURVDDP-AWEZNQCLSA-N	306.450	3.036	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NC[C@H]1CC[C@H](C(N)=O)CC1	1261390020	YRJKTGDMIAAUEP-AJNGGQMLSA-N	316.445	3.130	10	20	DGCD	
CCc1oc(CNCc2ccc(N(C)C)c(F)c2)cc1C(=O)O	1597805355	GTXSWSITZLAMPX-UHFFFAOYSA-N	320.364	3.035	10	20	DGCD	
COc1cc(N[C@H](C)c2cc(C(=O)O)ccc2O)ccc1F	1610301674	GYWGCZDGVDFZIW-SECBINFHSA-N	305.305	3.411	10	20	DGCD	
CCCOc1ccc(CNCc2ccc(C(=O)O)cn2)cc1C	1776821864	NHCUHYUZQSZVQH-UHFFFAOYSA-N	314.385	3.167	10	20	DGCD	
CCn1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)cn1	111998292	PVYVDKUYWMCWLS-ZSOIEALJSA-N	312.398	3.294	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(C)c(Cl)c2)c1	114541918	WCIRJXOZKXOQOJ-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
CC(C)c1nc(C(=O)NCc2ccc(N(C)C)cc2)cs1	171424394	RYIYNZFVRGPEDS-UHFFFAOYSA-N	303.431	3.263	10	20	DGCD	
Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c(F)c1	111235094	MMHPMDKYABSAKN-CYBMUJFWSA-N	316.376	3.299	10	20	DGCD	
C[C@H](NCCc1ccc2c(c1)OCO2)c1ccc(F)cc1O	184896767	RESPIHOXCAFCHL-NSHDSACASA-N	303.333	3.153	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)CN2CCC[C@@H](C)C2)c1	185123433	DXVSQYMMCZUZKR-KFWWJZLASA-N	306.450	3.172	10	20	DGCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1c1ccccc1	185737846	LWIFLQVGEYJTTD-DZGCQCFKSA-N	311.381	3.364	10	20	DGCD	
CCOCCO[C@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)C1	138476890	IJCKRRPIFSYFLY-KRWDZBQOSA-N	321.461	3.451	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2F)c(OC)c1	131665811	BMOPHDADFXJPSP-MRXNPFEDSA-N	323.339	3.152	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCCO	193298779	YZCYXYANBOMLFA-UHFFFAOYSA-N	306.431	3.048	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](CCC(N)=O)C2)cc1	92660669	RERXDPLOZYSJAS-MRXNPFEDSA-N	317.477	3.010	10	20	DGCD	
CN1CCC(N2C(=O)/C(=C\c3ccsc3)SC2=S)CC1	255460381	UFFSJLMKHCXAMD-XYOKQWHBSA-N	324.496	3.044	10	20	DGCD	
Cc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1	265095701	PPCKLSVGKPQOPT-UHFFFAOYSA-N	315.417	3.029	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@](C)(O)C(F)(F)F)cc1	271491085	KUBCALNAESEEDC-FZMZJTMJSA-N	304.356	3.107	10	20	DGCD	
COCCCN(Cc1ccncc1)Cc1cccc(Cl)c1O	289380485	CKAKPGXNABVLEF-UHFFFAOYSA-N	320.820	3.479	10	20	DGCD	
CCC[C@@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)OC	295461079	PZYJOAKHQWGXGO-HNNXBMFYSA-N	315.417	3.034	10	20	DGCD	
COc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1	292396453	WNNYLQONOIGIOP-UKTHLTGXSA-N	305.424	3.449	10	20	DGCD	
FC1(F)CCCC[C@@H]1CNCc1ccc(N2CCOCC2)cc1	390885391	VUGXSHDFHBSAKS-MRXNPFEDSA-N	324.415	3.438	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OCCOC[C@@H]3CCCO3)cc12	563862153	KSYKQXBCXRTIRI-INIZCTEOSA-N	303.402	3.370	10	20	DGCD	
FC1(F)CCC[C@@H]1CNCc1ccc(N2CCOCC2)cc1	390552468	KMSJCLJDMDFPLX-OAHLLOKOSA-N	310.388	3.048	10	20	DGCD	
Cc1ccc(NC(=O)COc2ccc(N(C)C)cc2)c(F)c1	810001193	ZRPWXFRQHQIVHG-UHFFFAOYSA-N	302.349	3.218	10	20	DGCD	
C[C@@]1(CNCc2cc(Cl)c(F)cc2O)CCCC[C@H]1O	816555867	SCPRMSNQFSFDJC-CABCVRRESA-N	301.789	3.216	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C)C[C@H](CO)C2)cc1F	817412343	IYJVKHKKRYYZIH-HOCLYGCPSA-N	308.441	3.122	10	20	DGCD	
C[C@@H]1C[C@@H](C(=O)O)CN(Cc2ccc(N3CCCCC3)cc2)C1	817881997	TXLUJALTDATQPD-NVXWUHKLSA-N	316.445	3.220	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)c1ccccc1O	827946569	MJNDDSSLIRTSMU-MLGOLLRUSA-N	311.381	3.395	10	20	DGCD	
Cc1cccc2c1O[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C2	823709574	XTTMPPZRSYWMEG-SFHVURJKSA-N	324.424	3.023	10	20	DGCD	
O=C(NCc1cc(-c2ccccc2)on1)c1cc(O)cs1	732281910	FOJHDJPMPZHOBR-UHFFFAOYSA-N	300.339	3.039	10	20	DGCD	
COc1cc(OC)cc(N(C)C(=O)/C=C\c2cnccc2C)c1	492030493	JJTGUXJVGFUIIK-WAYWQWQTSA-N	312.369	3.083	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2)c(C)n1-c1cccc(Cl)c1	839792957	OICDLSHHOYGFAQ-OTVXOJSOSA-N	318.804	3.001	10	20	DGCD	
C[C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1	735518715	JYORHUILQFLXKV-RHSMWYFYSA-N	317.429	3.336	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2cccnc2C)c1	834909610	BAQLXFLADQIANZ-JSGCOSHPSA-N	313.401	3.082	10	20	DGCD	
CC(C)c1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1	916590248	RPILFTGXNFWYFC-UHFFFAOYSA-N	314.337	3.261	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)C[C@H]4CCOC4)ccc31)CCCC2	843020266	DLPDUYQRXISFHE-CYBMUJFWSA-N	313.397	3.389	10	20	DGCD	
CCC(C)(C)N1CCN(Cc2cc(C)cc(OC)c2O)CC1	848495678	NPAAGBXYUATCPT-UHFFFAOYSA-N	306.450	3.015	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)C1CC1	840243894	QGBPMJXENKBUET-UONOGXRCSA-N	303.450	3.090	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C(CC)(CC)CO)cc1	847303461	CKEGRAUNZBPLGP-UHFFFAOYSA-N	320.477	3.290	10	20	DGCD	
CN(CCC1CCNCC1)Cc1ccc(N2CCCCC2)cc1	844220912	PAHKDANCEUQIAT-UHFFFAOYSA-N	315.505	3.498	10	20	DGCD	
CCn1ccc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)n1	845091704	UTEWQVXRNDIYEX-UHFFFAOYSA-N	324.384	3.063	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H](CC(C)C)OC)CC2)cc1	841756263	SFCTWEBJNZUCIK-LJQANCHMSA-N	320.477	3.315	10	20	DGCD	
COc1ccc(N(CC(=O)N(C)CC2CC2)CC(C)C)cc1	746170428	SHRMHZXYHDBDDI-UHFFFAOYSA-N	304.434	3.026	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)C2CC2)cc1	844854667	SZMNHLWZUGHJSF-CQSZACIVSA-N	304.434	3.026	10	20	DGCD	
COc1ccc(N2CCC(NC3[C@H]4[C@H]5CC[C@@H](C5)[C@H]34)CC2)cc1	850392978	PCEVYDKZVLJGJE-LSOMNZGLSA-N	312.457	3.298	10	20	DGCD	
CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(C)ccc1O	858236952	BLGPNJPRXQCNEF-UHFFFAOYSA-N	316.357	3.297	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1CCC(=O)O1	852187272	NGCLYEWEEUAFAV-GOEBONIOSA-N	303.402	3.036	10	20	DGCD	
CC(C)(C)N1CC[C@H](NCc2c(O)ccc(Cl)c2F)C1	850351930	XISIXWGMWZLNSP-JTQLQIEISA-N	300.805	3.147	10	20	DGCD	
Cc1cc(C)cc(OCCC(=O)NCc2cc(C)ccc2O)c1	862759677	JBXHJIDNYIMUDE-UHFFFAOYSA-N	313.397	3.403	10	20	DGCD	
CCN(CC)c1ccc(CN(CCO)C2CCCC2)cc1F	768139169	XEBDHVBDRAMYFI-UHFFFAOYSA-N	308.441	3.409	10	20	DGCD	
C[C@H](NCC[S@@](=O)c1ccccc1)c1ccc(N(C)C)cc1	765905636	AUZWCLNAMRGQLD-OYHNWAKOSA-N	316.470	3.211	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C(F)(F)F)O1	769498219	SCWKDSQNQIFSAW-PRHODGIISA-N	309.715	3.197	10	20	DGCD	
Cc1ccc(C)c(N2CCN(C(=O)c3cc(O)cs3)CC2)c1	768289142	OHUORHVJIGCZOE-UHFFFAOYSA-N	316.426	3.033	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H]2c2cc(C)no2)c1	768878546	QRJPTNVWMXBKEY-OAHLLOKOSA-N	302.374	3.424	10	20	DGCD	
CN(C(=O)C(C)(C)COCc1ccccc1)c1ccc(N)cc1	877075850	JRAXXYORSYPFFW-UHFFFAOYSA-N	312.413	3.475	10	20	DGCD	
CCCCN1CC(=O)N[C@H]1c1cc(Cl)c2ccccc2c1O	774546965	JTJCAICZFLYIED-QGZVFWFLSA-N	318.804	3.429	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774484876	SXAWVHWDDSXCFS-RRFJBIMHSA-N	305.466	3.097	10	20	DGCD	
CCSc1cc(CNCc2c(O)cccc2OC)ccn1	778210111	ZBOJCUPRGNAAOF-UHFFFAOYSA-N	304.415	3.198	10	20	DGCD	
CC(C)(C)OC(=O)N1CCN(Cc2ccccc2O)C(C)(C)C1	779022676	FRJBHYJDRZOHGG-UHFFFAOYSA-N	320.433	3.224	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2occc2s1	773763181	MGXHLBMHUZHGCS-SECBINFHSA-N	317.366	3.267	10	20	DGCD	
COC(=O)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccsc1	788400634	MGKCEINKKODTQA-BLLLJJGKSA-N	318.442	3.379	10	20	DGCD	
CC(C)C[C@@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1O	788564582	WTXAQMPRUJIHBT-MNOVXSKESA-N	305.340	3.469	10	20	DGCD	
COc1ccc(CNCCNC(=O)CCCCC(C)C)cc1C	1135504796	JZRGLIORLYTETD-UHFFFAOYSA-N	320.477	3.426	10	20	DGCD	
COc1ccc(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1OC	893255514	JUDJLKODIVGYAJ-DZGCQCFKSA-N	323.433	3.093	10	20	DGCD	
COc1ccc(CN2CCc3c(F)cccc32)c(O)c1OC	893615982	VRBFVJLVGHTKGI-UHFFFAOYSA-N	303.333	3.111	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CNCC(F)F	708155615	CRFZAAINJCALFP-UHFFFAOYSA-N	300.530	3.163	10	20	DGCD	
CCC1=C(C(=O)NCCCSc2nccs2)CCCO1	790637424	QBNSRTWKVKEVHG-UHFFFAOYSA-N	312.460	3.216	10	20	DGCD	
COc1ccc(CNC(=O)CCSc2ccccc2)c(O)c1	794382299	UWLNVQLJNSIMMS-UHFFFAOYSA-N	317.410	3.199	10	20	DGCD	
CC(C)(C)[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	790931801	SVPHXGDFLQGYHH-CYBMUJFWSA-N	301.789	3.432	10	20	DGCD	
CCC[C@@H](C)CC(=O)NCCCNCc1ccc(OC)c(C)c1	1155541149	XLWCHCATVJPCLT-OAHLLOKOSA-N	320.477	3.426	10	20	DGCD	
Cn1ccnc1C[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1	1319947493	UEDXUDOUTXWNFG-ZDUSSCGKSA-N	319.836	3.234	10	20	DGCD	
COCc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1	1320946252	FHGQPFTWVGUBNH-UHFFFAOYSA-N	317.732	3.275	10	20	DGCD	
Oc1ccc(Br)cc1CNCC[C@@H]1CCCCO1	227339102	STJCPUHOGQVGGJ-ZDUSSCGKSA-N	314.223	3.204	10	20	DGCD	
CN(CCNCc1cc(Cl)ccc1O)C(=O)OC(C)(C)C	227760432	RDMHIBCYKKCMMY-UHFFFAOYSA-N	314.813	3.002	10	20	DGCD	
C[C@H](NCC(C)(C)C(C)(F)F)c1cc(C(=O)O)ccc1O	1593241198	XHRHFKRBJNSCFO-VIFPVBQESA-N	301.333	3.422	10	20	DGCD	
Cc1cncc(/C=C\C(=O)N2CCCc3cc(C(=O)O)ccc32)c1	1594432128	LXZRJLKJKWXENE-DAXSKMNVSA-N	322.364	3.081	10	20	DGCD	
CC(C)c1ccc(O)c(CN[C@H](Cc2ccccc2)C(=O)O)c1	1591974087	MTCUCSFSVCSWIQ-QGZVFWFLSA-N	313.397	3.301	10	20	DGCD	
Cc1cccc(Br)c1C(=O)NCc1ccccc1O	311802613	KPQRVMDMGXWGED-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
CC[C@H](O)CCNCc1cc(Cl)cc(Br)c1O	708098288	HAMOSBHMGCSXKG-JTQLQIEISA-N	322.630	3.059	10	20	DGCD	
Cc1cccc(O)c1CN[C@@H](C)CN(C)C(=O)OC(C)(C)C	877641481	VSBBVEGHGHZQAQ-ZDUSSCGKSA-N	308.422	3.046	10	20	DGCD	
NC(=O)c1cccc(CN(Cc2ccccc2O)C2CCCC2)c1	109797471	AZGDSNSZFKWOFW-UHFFFAOYSA-N	324.424	3.436	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCc2nccs2)cc1	55288622	YPCXQMJDYBBWPD-UHFFFAOYSA-N	317.458	3.238	10	20	DGCD	
CCC(C)(C)C(=O)NCc1ccc(N2CCSCC2)cc1	102636387	MNSSQDVOVQJEPR-UHFFFAOYSA-N	306.475	3.292	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccncc1	173183867	FMEDNQWVXXLNIE-QGZVFWFLSA-N	312.417	3.098	10	20	DGCD	
C[C@H](NCCC1(C)OCCO1)c1ccc(N2CCCCC2)cc1	183898467	JIHNSAISJDXHGD-INIZCTEOSA-N	318.461	3.481	10	20	DGCD	
CC(C)OC(=O)[C@H](C)N(C)Cc1c(O)ccc2ccccc12	121606379	YIJUOFWMPQTJRY-ZDUSSCGKSA-N	301.386	3.317	10	20	DGCD	
CC1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	123603541	WPFJZGOYNATLLA-UHFFFAOYSA-N	305.333	3.201	10	20	DGCD	
CO[C@@H](C)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	189097270	FJTWZRWXCJREPL-AWEZNQCLSA-N	300.402	3.167	10	20	DGCD	
COc1cc(C)sc1C(=O)N(C)Cc1ccc(N(C)C)cc1	71100733	KUCUEQHJNYMADC-UHFFFAOYSA-N	318.442	3.403	10	20	DGCD	
COCCN(CCC(F)(F)F)c1ccc(OC)c(OC)c1	81155850	PRILZCFLKGKQFL-UHFFFAOYSA-N	307.312	3.109	10	20	DGCD	
COCc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1	46321283	IXTYAGSRRFHYBZ-UHFFFAOYSA-N	312.413	3.171	10	20	DGCD	
CC(C)[C@@H](C)N(C(=O)NCc1ccc(N(C)C)cc1)C1CC1	86153301	VXLCSQHRGXSKQQ-CQSZACIVSA-N	303.450	3.471	10	20	DGCD	
CCC(CC)[C@H](CN[C@H](C)c1cc(OC)ccc1O)N(C)C	192953334	KVEUZDATKZKMMH-DYVFJYSZSA-N	308.466	3.418	10	20	DGCD	
Cc1cc(C(=O)Nc2cc(C3CC3)n[nH]2)c(C)n1-c1ccccn1	264035395	NZFOQTNQBOABDT-UHFFFAOYSA-N	321.384	3.342	10	20	DGCD	
COc1c(O)cccc1CN(C)Cc1ccc(N(C)C)cc1	272253667	IVGJSCKXXLCLHL-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
Cn1cc([C@H](NCc2ccc3c(c2)CCO3)c2ccccc2)cn1	374644291	GXTFWWHKWPNXHA-HXUWFJFHSA-N	319.408	3.234	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2ncnn2C(C)(C)C)c(O)c1	285089282	JXJXFSPEEUAAFU-ZDUSSCGKSA-N	302.422	3.206	10	20	DGCD	
CSc1cccc(NCc2ccc(N3CCOCC3)cc2)n1	804610862	WCFHFSWWSLTURR-UHFFFAOYSA-N	315.442	3.252	10	20	DGCD	
CC[C@H](NC[C@H](N)C(C)C)c1cc(Br)ccc1O	817957366	BESQYXXRPJHMBM-STQMWFEESA-N	315.255	3.179	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNCc3cncn3C)c2C)c1	810159338	OUUHBHUEYDQYLO-UHFFFAOYSA-N	308.429	3.426	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[C@]2(C)N)cc1	827340463	AWJPREMQPRFPGG-HKUYNNGSSA-N	317.477	3.057	10	20	DGCD	
COc1cccc(O)c1CN1CCC([C@@H]2CCCCO2)CC1	827377025	NQCIHSPVJCQVSQ-KRWDZBQOSA-N	305.418	3.182	10	20	DGCD	
COc1cccc(CNCC[C@]2(C)CC2(Cl)Cl)c1O	824970117	JHPFEQDGJAKXHZ-CYBMUJFWSA-N	304.217	3.464	10	20	DGCD	
O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cc(O)cs1	732276481	RFCADIZGVQUWKC-NSHDSACASA-N	309.774	3.361	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCc2cn(C)cn2)c1O	903352018	PXVVHVIFFPXGJQ-SNVBAGLBSA-N	324.222	3.047	10	20	DGCD	
Cc1cc(CN[C@H](C(=O)O)c2ccccc2F)ccc1N(C)C	905379651	XJRJMAXXKPDKQC-KRWDZBQOSA-N	316.376	3.116	10	20	DGCD	
COc1ccc(CNC(=O)NCC(C)(C)C2CCC2)c(O)c1	836595798	XQRZNJJHPCBGDG-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
Fc1cc(CN2CC(C3CCCC3)C2)ccc1N1CCOCC1	839143180	NMKXQYUVOFSOQY-UHFFFAOYSA-N	318.436	3.284	10	20	DGCD	
O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(O)cs1	731868252	UIYSKDWDMOVABS-MRXNPFEDSA-N	310.378	3.368	10	20	DGCD	
CC(C)C1(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1	837626777	LYCDNRUMRSUCLF-UHFFFAOYSA-N	301.434	3.275	10	20	DGCD	
Oc1cc2c(cc1CN1CCO[C@@H](CF)C1)oc1ccccc12	840171051	DWPNAAWVXSVLHO-ZDUSSCGKSA-N	315.344	3.462	10	20	DGCD	
CO[C@@H]1CCCC[C@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1O	846058024	ZZSQBESJAQEFDN-DGCLKSJQSA-N	314.769	3.001	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CS[C@H](C)C3)CC2)cc1	840856985	SXGJEFSRLVQKLW-HIFRSBDPSA-N	306.475	3.148	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1ccnn1C	840893817	MGZIYRRWWVCJOB-HUUCEWRRSA-N	300.450	3.076	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCNC1	841032929	HSYAALKZYOENQK-UWVGGRQHSA-N	303.233	3.177	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@]1(C)CCO[C@@H]1C1CC1	840937129	HWEZEORQJVZLKC-MOPGFXCFSA-N	302.462	3.356	10	20	DGCD	
CN(C)c1cc(F)c(CNCC[C@@H]2C[C@H]3CC[C@H]2O3)cc1F	858177420	KVZSYLWRJNLQCH-CJBNDPTMSA-N	310.388	3.078	10	20	DGCD	
CC[C@@H](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1	852138473	OTYWIFITWICZLG-OAHLLOKOSA-N	301.434	3.298	10	20	DGCD	
CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1	751239692	LYRJZPZZALKJLH-UHFFFAOYSA-N	319.426	3.336	10	20	DGCD	
CCN(CCCO)Cc1ccc(OCc2ccccc2)cc1O	753544853	QJNUSYBCADNRSL-UHFFFAOYSA-N	315.413	3.176	10	20	DGCD	
C/C(=C/C(=O)NCc1cccc(Br)c1O)C1CC1	765732053	OVVIZTZYHLPJNK-CLFYSBASSA-N	310.191	3.127	10	20	DGCD	
CCCCOc1ccc(NC(=O)NCc2ccccc2O)cn1	776064306	DDTODUYAQQMCMF-UHFFFAOYSA-N	315.373	3.288	10	20	DGCD	
CC(=O)c1ccc(C(=O)N(C)Cc2ccccc2O)c(F)c1	777414898	PJBMAFLRFRPLOB-UHFFFAOYSA-N	301.317	3.006	10	20	DGCD	
COc1cc(O)c(CNCc2c(C)cccc2F)cc1OC	776221525	WBNOEFJKBHXODX-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
C[C@@H](NCc1ccnc(N2CCCC2)c1)c1c(O)cccc1F	886500369	SFUVXSIAMCOOEL-CYBMUJFWSA-N	315.392	3.377	10	20	DGCD	
Cc1cc(CN2CC[C@@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1	776774377	BSZMLUCPUYXUPA-OAHLLOKOSA-N	314.433	3.037	10	20	DGCD	
C[C@@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc(N(C)C)cc1	772998140	WOJKRWBYEVVNIU-GFCCVEGCSA-N	314.433	3.264	10	20	DGCD	
COc1ccc(CNc2ccccc2N(C)C)c(O)c1OC	892293561	TWKHLRFUTQAVQM-UHFFFAOYSA-N	302.374	3.088	10	20	DGCD	
C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)Sc1ccccc1	789987040	PTIXDTCYYMMNHF-JTQLQIEISA-N	321.373	3.148	10	20	DGCD	
COc1ccc(CNC(=O)C(C)(C)c2cccc(F)c2)c(O)c1	794376177	CHBBIFXMUZUWJG-UHFFFAOYSA-N	317.360	3.134	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](SC)c2ccccc2)c(O)c1	794382731	GBPOZTRGYRMZNS-INIZCTEOSA-N	317.410	3.121	10	20	DGCD	
CN(C)c1ccc(CNCc2ccnn2-c2ccc(F)cc2)cc1	792894114	QLIIRLFNNVDGKX-UHFFFAOYSA-N	324.403	3.367	10	20	DGCD	
Cc1nn(C(C)C)cc1CNCc1ccc(N(C)C)c(F)c1	798495015	WWYUVAOGUFPKFO-UHFFFAOYSA-N	304.413	3.267	10	20	DGCD	
COc1ccc(CNCc2ccc(F)c3cccnc23)c(O)c1	793388061	KCODWTXLVRBKRK-UHFFFAOYSA-N	312.344	3.378	10	20	DGCD	
COc1ccc(CN[C@@H]2CCN(C(=O)C=C(C)C)[C@H]2C)cc1C	985919217	CLRMCYOZBIXQLH-DOTOQJQBSA-N	316.445	3.049	10	20	DGCD	
COc1cccc(NNC(=S)Nc2cccc(F)c2F)c1	1319658702	YNKFOWJCLWTPSO-UHFFFAOYSA-N	309.341	3.287	10	20	DGCD	
COc1ccc(CNCc2ccccc2N2CCCC2)c(O)c1	1321202174	IKQFVPFCYZIJQC-UHFFFAOYSA-N	312.413	3.291	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)Nc1c(Cl)ccc2nonc12	1334716079	JIRPPIYHTLSNFV-PLNGDYQASA-N	320.761	3.293	10	20	DGCD	
Nc1ccc(CN2CCC(N3CCc4ccccc43)CC2)cc1	1356083665	XDUJBGNYCXIROE-UHFFFAOYSA-N	307.441	3.296	10	20	DGCD	
C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1cc(C(=O)O)ccc1O	1609779417	ZJQMFOKGBKAPGO-KRTXAFLBSA-N	303.280	3.082	10	20	DGCD	
CSc1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1	1579388450	VRRDHASJNBIYFS-UHFFFAOYSA-N	315.442	3.033	10	20	DGCD	
COCc1cc(NCc2cccc(C)c2O)cc(C(=O)O)c1	1599289349	CAHLCFPNDDOHCL-UHFFFAOYSA-N	301.342	3.157	10	20	DGCD	
CC(C)[C@@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C	5263890	NHPDBHIBNLPRFA-CYBMUJFWSA-N	317.458	3.340	10	20	DGCD	
Cc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1	13994570	ONEHGIFBQJLYQJ-INIZCTEOSA-N	301.386	3.475	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)NCCCF)c2C)cc1	161574533	BUAJLMDVRVYSPT-UHFFFAOYSA-N	304.365	3.192	10	20	DGCD	
Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c(O)c1O	179400846	KIHBPLBUAWJYRN-LLVKDONJSA-N	303.333	3.379	10	20	DGCD	
Cc1ccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)c(O)c1O	179449417	REZMWZLMCCKGPJ-NSHDSACASA-N	301.342	3.365	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccccc2OC(C)C)c(O)c1O	179430160	JJVQAPKWZUBBPF-UHFFFAOYSA-N	301.342	3.446	10	20	DGCD	
Cc1cccc(CN2CCCN(C(=O)OCC(C)C)CC2)c1O	179944581	MRHMNNRNFXJDDM-UHFFFAOYSA-N	320.433	3.001	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H](C(N)=O)c2ccccc2)cc1	125996650	LMILMFWHGZNEJL-KDOFPFPSSA-N	311.429	3.020	10	20	DGCD	
CO[C@@H](C)CCC(=O)N(Cc1ccco1)Cc1ccccc1O	183915156	QNUVJKCYPVOMGT-AWEZNQCLSA-N	317.385	3.329	10	20	DGCD	
CC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	128688386	HVLNDOSDAHVCCJ-LLVKDONJSA-N	316.376	3.331	10	20	DGCD	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccccc1O	127186386	PRAIZRIPFIHWNC-CQSZACIVSA-N	308.385	3.166	10	20	DGCD	
CCN(c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])C1CCCC1	314205732	AGSSZJJUGFZKAP-NTMALXAHSA-N	304.346	3.462	10	20	DGCD	
CCOc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1OCC	320076019	WYBUYOGYACFXCN-UHFFFAOYSA-N	314.385	3.343	10	20	DGCD	
CN(Cc1ccc(N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1	382756082	INFSZWOYJGVNKL-IBGZPJMESA-N	309.457	3.223	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H]1O)c1ccc(N2CCCCC2)c(F)c1	246508008	TWKLSUQHWPOYKN-FDQGKXFDSA-N	306.425	3.380	10	20	DGCD	
CCC1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCOCC1	273563878	IYOYMNBDQKWZFV-GFCCVEGCSA-N	308.378	3.158	10	20	DGCD	
COc1cccc(CNc2ccc(C(=O)NC(C)C)cc2)c1O	289976019	BZDLXMBSGVGGJV-UHFFFAOYSA-N	314.385	3.151	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCC[C@H](C)CO	283632495	NFLBDSHVOFRQCH-HNNXBMFYSA-N	322.449	3.113	10	20	DGCD	
COc1cc(CCO)ccc1NCc1ccc(N(C)C)c(F)c1	289809634	STQRVNRGVOHHNR-UHFFFAOYSA-N	318.392	3.047	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc2ccccn2n1	806649002	RLFUJJTYDZRCNC-UHFFFAOYSA-N	323.400	3.030	10	20	DGCD	
COc1cccc(CN(C)[C@@H](CO)c2ccc(Cl)cc2)c1O	295008355	JDIAIIDZZISAFJ-HNNXBMFYSA-N	321.804	3.220	10	20	DGCD	
C[C@@]12CCN(C(=O)c3cc(O)cs3)C[C@@H]1C2(Cl)Cl	807524411	TWJSBOUYGUHCHF-GXSJLCMTSA-N	306.214	3.110	10	20	DGCD	
COCC[C@@H]1CCC[C@H]1NCc1ccc2c(c1)CCCN2C	800475566	YJWIVVXPSQNMAB-FUHWJXTLSA-N	302.462	3.364	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCCSC(C)C)cc1	804967397	QLTZWZGXHZVJNZ-UHFFFAOYSA-N	323.506	3.474	10	20	DGCD	
CC(C)C[C@H](C)OC(=O)NCc1ccc(N2CCOCC2)cc1	294338709	JROTXYVPEOHBBO-HNNXBMFYSA-N	320.433	3.184	10	20	DGCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@H]1c1ccncc1	292353692	FGQMMXOFFVJRIH-KRWDZBQOSA-N	312.369	3.099	10	20	DGCD	
CN(C)c1ccc(CNc2cnccc2-n2cccn2)cc1F	809632289	ODICZTUEESZGQD-UHFFFAOYSA-N	311.364	3.085	10	20	DGCD	
C[C@@H](NC[C@@H](CO)c1ccc(Cl)cc1)c1ccccc1O	806180533	OXVOEXWHIPLADR-OCCSQVGLSA-N	305.805	3.472	10	20	DGCD	
Cc1cc(CN[C@H](CCO)C2CCCCC2)ccc1N(C)C	815084288	ZZRICJTYLAQVIA-GOSISDBHSA-N	304.478	3.482	10	20	DGCD	
CC[C@H](NC[C@@H]1C[C@H](F)CN1)c1cc(Cl)cc(Cl)c1O	817976357	KOXWFRUSXMMIMK-KWBADKCTSA-N	321.223	3.440	10	20	DGCD	
C[C@H](Nc1ccc(COCCO)cc1)c1cc(F)ccc1O	818362149	QCVJBSGPSIKEBO-LBPRGKRZSA-N	305.349	3.213	10	20	DGCD	
COc1cccc(C2(C(=O)N[C@H](C)c3ccccc3O)CC2)c1	827946849	SYNIDDNFLSNDGI-CYBMUJFWSA-N	311.381	3.310	10	20	DGCD	
CCC(CC)n1nccc1C(=O)N[C@H](C)c1ccccc1O	827940520	FCCTZZVXMTYXRT-GFCCVEGCSA-N	301.390	3.441	10	20	DGCD	
COc1ccc(Cl)cc1NC(=O)/C=C\c1ccc(O)c(O)c1	588403703	WNDIASBEOUCABP-CLTKARDFSA-N	319.744	3.412	10	20	DGCD	
C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccoc1	903447808	CUSWTTZTYJQYQK-KSSFIOAISA-N	301.434	3.299	10	20	DGCD	
c1ccc(C2(NCc3ccc4c(c3)CCO4)CCOCC2)cc1	733998006	MXWVPVZYJRWRBC-UHFFFAOYSA-N	309.409	3.417	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@@H]1CCCC[C@@H]1C	734406236	OFIQJAGJZWVLPO-KBXCAEBGSA-N	318.461	3.273	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCC(=O)Nc1ccccc1	840933439	FQCPVCNIPWFMKT-UHFFFAOYSA-N	311.429	3.179	10	20	DGCD	
CCc1cccc(CN2C[C@H](C)NC(=O)c3ccccc32)c1O	848913103	OEJMYMFIGZJJKQ-ZDUSSCGKSA-N	310.397	3.093	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C1CCC(N)CC1	843056112	ZUZVXFLUHUFDBZ-UHFFFAOYSA-N	301.478	3.379	10	20	DGCD	
Cc1cc(C(=O)NCCC(F)(F)F)c(C)n1-c1ccccn1	742925599	ZUAVCNUOZOJQLZ-UHFFFAOYSA-N	311.307	3.171	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(N(C)C)nc2)c2c(O)ccc(F)c21	756401424	PBVXXJQEBYWCRZ-BXUZGUMPSA-N	315.392	3.330	10	20	DGCD	
CCN(CCN[C@H](C)c1cc2c(cc1O)CCCC2)C1CC1	756527264	XOUUZNGBMYHILL-CQSZACIVSA-N	302.462	3.406	10	20	DGCD	
CSC(C)(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	857575427	NSEDDOYCNCKZRO-UHFFFAOYSA-N	306.475	3.385	10	20	DGCD	
COc1ccc(CNCc2ccc(N(C)C(C)=O)cc2)cc1C	858248874	KCUXWOZHLPBQOD-UHFFFAOYSA-N	312.413	3.276	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC3(CC3)C2)c1	861854531	OVKAPYHBWWUDMM-UHFFFAOYSA-N	308.381	3.143	10	20	DGCD	
COc1cc(C)cc(CNC(=O)N[C@H](C)c2ccccc2O)c1	868431463	PGXHOZANARAHPI-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2csc(C(C)(C)C)n2)c1	862758550	CPEYBOVSHSXEPG-UHFFFAOYSA-N	304.415	3.385	10	20	DGCD	
CNc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1	863482314	YGBRSUWCCSWHNU-UHFFFAOYSA-N	315.392	3.316	10	20	DGCD	
C[C@H](N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C	771787951	WAOGBTXMRBJRSB-HNNXBMFYSA-N	319.493	3.077	10	20	DGCD	
CCO[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	773610726	FVMAFPHVUHQLIB-PBHICJAKSA-N	319.449	3.024	10	20	DGCD	
Cc1ccc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1	876652317	ARNRBHGBRPSUFL-CQSZACIVSA-N	320.433	3.047	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CCO[C@]3(CCOC3)C2)cc1C	873100428	UCBCFJZJUMRGRC-IEBWSBKVSA-N	319.445	3.212	10	20	DGCD	
Cc1cccc(O)c1CN(C)Cc1ccc([S@](C)=O)cc1	876773862	XILKAYGBHVIZIU-NRFANRHFSA-N	303.427	3.070	10	20	DGCD	
C[C@H](NC(=O)N1CCC2(CCC2)C1)c1ccc(N(C)C)cc1	773614915	UQIRGMFQHHZFES-AWEZNQCLSA-N	301.434	3.399	10	20	DGCD	
Cc1cccc(C[C@H](CO)N[C@H](C)c2cc(F)cc(F)c2O)c1	786574817	GHFLOTRIPIAMNS-IUODEOHRSA-N	321.367	3.233	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)c2nc(C(C)(C)C)no2)c1O	894541327	BUQUVTFBEVVWCH-LLVKDONJSA-N	319.405	3.241	10	20	DGCD	
CC(C)OC(=O)C1CCN(Cc2cc(Cl)ccc2O)CC1	895827819	CJSALSUYTKPXGY-UHFFFAOYSA-N	311.809	3.209	10	20	DGCD	
C[C@@H]1OCC[C@@]1(C)NCc1ccc(N(C)C)cc1C(F)(F)F	793073606	LXMCFXPLMKUIBJ-XHDPSFHLSA-N	316.367	3.429	10	20	DGCD	
OCc1ccc(CCNCc2c(O)ccc(Cl)c2F)cc1	790991530	XMDSHSKJUVEFMU-UHFFFAOYSA-N	309.768	3.009	10	20	DGCD	
CC[C@@H](C)n1ncc(NC(=O)c2cccc(O)c2O)c1C1CC1	790907574	ITETURHDLDDXPH-SNVBAGLBSA-N	315.373	3.395	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)[C@H](O)c2ccc(C)cc2)c1O	796492908	YYXRHVVNSNVMRA-KSSFIOAISA-N	315.413	3.311	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3occc3s2)c(O)c1	794384295	YVCKIBYKKPPYFG-UHFFFAOYSA-N	303.339	3.139	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccn(C(C)C)n2)c1	797681737	VSIWCNZIOLCWRD-NSHDSACASA-N	318.377	3.061	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@H]21	1319730170	WOQUDHPMOHXMCT-UYAOXDASSA-N	313.489	3.203	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H]1c2ccccc2C[C@@H]1O	1327149136	CZLVPKIUZYCLGH-VHICIVCISA-N	309.409	3.497	10	20	DGCD	
O=C(O)/C=C\c1ccc(Sc2nccs2)c([N+](=O)[O-])c1	1608663881	RRHPQZQAYUCAAZ-RQOWECAXSA-N	308.340	3.300	10	20	DGCD	
CC[C@@H]1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])[C@H]1C	1605173192	YHKVZESUYUIMKR-VAFIWLDWSA-N	304.346	3.317	10	20	DGCD	
C[C@H](NCCn1ccnc1)c1ccc(N2CCCCC2)c(F)c1	155646956	RIMIJVPHAMWWCC-HNNXBMFYSA-N	316.424	3.363	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cccnc1	52851405	JIQOGRKBTGXCCE-UHFFFAOYSA-N	311.429	3.129	10	20	DGCD	
CCNC(=S)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	59025155	UNMIUURNKDYYMG-UHFFFAOYSA-N	317.458	3.242	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc(N3CCCC3)cc2)C1	178194485	BJCYHLKVKVCCON-IYBDPMFKSA-N	316.445	3.170	10	20	DGCD	
COC[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1O	307764781	NSXJDAMYHGQMLV-AWEZNQCLSA-N	311.809	3.249	10	20	DGCD	
C[C@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N2CCCC2)cc1	177262091	QGQYUNBEZFKKMB-GASCZTMLSA-N	301.434	3.369	10	20	DGCD	
C[C@@H](Nc1ncc(Cl)cn1)c1ccc(N2CCOCC2)cc1	301493901	RGUJYEUAXMKMBL-GFCCVEGCSA-N	318.808	3.140	10	20	DGCD	
C[C@@H](OC1CCCCCC1)C(=O)N(C)Cc1ccccc1O	121462184	WARZTFBLAYBFAG-CQSZACIVSA-N	305.418	3.479	10	20	DGCD	
C[C@@H](NC[C@H]1COC2(CCCCC2)O1)c1cc(F)ccc1O	186230791	CAVVEUFUNNVVMQ-OCCSQVGLSA-N	309.381	3.258	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c(O)c1	185184344	ZLBQVIREFXGLIN-CABCVRRESA-N	312.413	3.056	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccsc1	120467755	WYZXXMNZMIGJSC-UHFFFAOYSA-N	302.443	3.217	10	20	DGCD	
CCOC(=O)COc1ccc(NCc2cccc(C)c2O)cc1	183917092	JOCFTDLLNNFANN-UHFFFAOYSA-N	315.369	3.255	10	20	DGCD	
COc1cc(N(C)Cc2cc(C)ccc2O)cc(OC)c1OC	180756681	UGWLTTVAGRZAMI-UHFFFAOYSA-N	317.385	3.363	10	20	DGCD	
CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)c(F)c1O	187754907	DDANUTCSZLZXBW-JOYOIKCWSA-N	322.359	3.010	10	20	DGCD	
CCCc1cc(C(=O)NCCc2ccc(O)c(O)c2)sc1C	121181856	QRCJIBCIPSLRKP-UHFFFAOYSA-N	319.426	3.393	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1cccs1	183427240	VHXAVSIDYHDIOR-GFCCVEGCSA-N	319.426	3.229	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)N(C)C)[nH]2)cc1Cl	180771261	WXEHPVKGHPEOKH-UHFFFAOYSA-N	321.808	3.015	10	20	DGCD	
C[C@H](N[C@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O	130305539	IWKJYHXPTOYBNS-WFASDCNBSA-N	305.805	3.300	10	20	DGCD	
CC[C@@H](SC)C(=O)NCc1ccc(N(CC)CC)c(F)c1	130275925	UWKUAJLQXHIKLI-OAHLLOKOSA-N	312.454	3.430	10	20	DGCD	
CCc1ccccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	190922354	QSGCUYVBHQKJBK-GFCCVEGCSA-N	314.385	3.413	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2CCN(CC(F)(F)F)C2)c1	193505568	ABMCZOKPAXVSJV-CHWSQXEVSA-N	316.367	3.235	10	20	DGCD	
CCC(CC)c1nnc(NC(=O)Cc2ccc(N)cc2)s1	236724853	YRKCNJDNLGOMHL-UHFFFAOYSA-N	304.419	3.205	10	20	DGCD	
Fc1cc(CNc2ccnc(Cl)c2)ccc1N1CCOCC1	268135544	GNAJWGCROPZMDQ-UHFFFAOYSA-N	321.783	3.323	10	20	DGCD	
CC(C)(O)CCNCc1ccc(OCc2ccccc2)cc1O	274912492	KDUYOYKARZJKAZ-UHFFFAOYSA-N	315.413	3.222	10	20	DGCD	
Cc1ccccc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C	277735479	TZFJSGZUVUTYRZ-UHFFFAOYSA-N	321.398	3.289	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccc(Br)cc1O	273604564	SUQBKEJURMUDLZ-GARJFASQSA-N	314.223	3.230	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H](O)c2ccc(C)cc2)c1O	278806299	YFQZQEVZRTWXID-HNNXBMFYSA-N	321.804	3.186	10	20	DGCD	
CCOc1cccc(CN(C)Cc2ccccc2N(C)C)c1O	809787368	AMPMGRUTMNJRGU-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
C[C@H]1[C@H](N2CCCC2)CCN1Cc1cc2c(cc1O)CCCC2	808194785	ZWXHNSVGTQFUBT-HNAYVOBHSA-N	314.473	3.330	10	20	DGCD	
CCOC1(C)CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	298440737	YYXXEJVEYVXTFL-UHFFFAOYSA-N	309.381	3.125	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)OC[C@@H]2CCCO2)C2CC2)cc1	804960243	MSFSAGMDXYEZJR-KRWDZBQOSA-N	318.417	3.033	10	20	DGCD	
CC(C)CN(CCN(C)C)Cc1c(O)ccc(Cl)c1F	809729948	UDKXRAPAUWBVCF-UHFFFAOYSA-N	302.821	3.204	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@H](C)c1cc(Cl)ccc1O)C(C)C	296446416	MOKYPKUYWZRDCU-ABAIWWIYSA-N	312.841	3.199	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ccc(COCCO)cc2)c1	818362609	YKLNRXKJXWIGDU-ZDUSSCGKSA-N	317.385	3.083	10	20	DGCD	
CC[C@H](NC[C@H](C)CCO)c1ccc(C(F)(F)F)cc1O	810220907	GTBKOPDSTQEWLE-MFKMUULPSA-N	305.340	3.470	10	20	DGCD	
Cc1cc(CN2CCO[C@@H](c3ccco3)C2)ccc1N(C)C	815060176	QAXVCNIDULKIRY-GOSISDBHSA-N	300.402	3.228	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCCN1CCCCC1	816530669	QBZSVMYAMSWLCM-UHFFFAOYSA-N	300.805	3.150	10	20	DGCD	
CN(C(=O)/C=C\c1cncc(F)c1)c1cccc2cccnc12	492597835	SKOQFBLJUGFRHQ-FPLPWBNLSA-N	307.328	3.445	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](CN3CCCC3)C2)cc1Cl	824854943	DRIOFFQUEOJCLE-CQSZACIVSA-N	308.853	3.272	10	20	DGCD	
CCOc1ccc(CN(C)[C@H]2C[C@H](OC)C23CCC3)c(O)c1	825104179	QEQXVQFTPDDVNC-IRXDYDNUSA-N	305.418	3.180	10	20	DGCD	
CCN(C)c1ccc(Cn2cc(-c3ccccc3OC)nn2)cc1	900549129	DLLMASUILDGBFQ-UHFFFAOYSA-N	322.412	3.458	10	20	DGCD	
COc1ccccc1-c1cc(NC(=O)c2cc(O)cs2)n[nH]1	732279250	MWOIAXUUXZOKIG-UHFFFAOYSA-N	315.354	3.105	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1CN	904657820	BKYQTZJULQGGNA-UHFFFAOYSA-N	313.401	3.295	10	20	DGCD	
CN(C)[C@H](CN[C@H]1CCc2cccc(O)c21)Cc1ccccc1	834487369	BZKVDKZCWQZLLX-ROUUACIJSA-N	310.441	3.142	10	20	DGCD	
C[C@@H](NCc1nc2c(s1)CCC2)c1cc([N+](=O)[O-])ccc1O	903191651	ZLFPIOJWSBHMRW-SECBINFHSA-N	319.386	3.096	10	20	DGCD	
CC[C@H](C)[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	839146452	HUBIMZNLJNBLSW-STQMWFEESA-N	312.404	3.326	10	20	DGCD	
Cc1cc(CN2CCC[C@H](C(C)(C)C(=O)O)C2)ccc1N(C)C	846284800	ORDCPDXQEUTEDP-INIZCTEOSA-N	318.461	3.384	10	20	DGCD	
COc1cccc([C@@H](C)NCC2([C@@H](C)CCO)CCC2)c1O	846157572	FMTCTYLQIZJUTG-UONOGXRCSA-N	307.434	3.240	10	20	DGCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1	841296252	RWEMNHPXVDAGPE-JKSUJKDBSA-N	305.422	3.374	10	20	DGCD	
C[C@H]1C[C@H](C)CN(C(=O)CSc2ncc(Cl)s2)C1	849998932	UMOJGVXNLWOMNS-IUCAKERBSA-N	304.868	3.393	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](CCN(C)C)C(C)(C)C)c1O	846142709	CCCWKOMFITVRIE-BBRMVZONSA-N	308.466	3.418	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	746975354	FBQISTIQECYYNJ-ZDUSSCGKSA-N	307.413	3.223	10	20	DGCD	
COc1cccc(CNCCc2ccc(N)cc2)c1OC(C)C	841036368	MAJQKCJGCRDHOV-UHFFFAOYSA-N	314.429	3.397	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](C)N2CCC[C@@H](C)C2)c1O	846140508	VPNVWKGMWRVJFT-KFWWJZLASA-N	306.450	3.172	10	20	DGCD	
O=S(=O)(CC1CCCCC1)NCc1cc(Cl)ccc1O	845997608	FEOGSPVAASBQOR-UHFFFAOYSA-N	317.838	3.045	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1CC(F)(F)F)c1c(O)cccc1F	926922206	IOQXFTMSTQSTTM-GHMZBOCLSA-N	320.330	3.209	10	20	DGCD	
CC[C@@H](N[C@@H]1CCO[C@H]1c1ccc(O)nc1)c1ccccc1O	858535985	DAQBGLBZBJUGMK-RKVPGOIHSA-N	314.385	3.064	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CCCCN2C(C)C)c1	756763120	YZRYWCLGIPQEHA-CABCVRRESA-N	306.450	3.314	10	20	DGCD	
C[C@H](Cc1ccc(O)cc1)NCc1cc(F)c(N(C)C)cc1F	858127766	PQYNGBUXIRYSIR-GFCCVEGCSA-N	320.383	3.457	10	20	DGCD	
C[C@@H](NC1CCN(CC(F)F)CC1)c1cc(Cl)ccc1O	756501179	BPCHGJVBONSLCQ-SNVBAGLBSA-N	318.795	3.426	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@H]2C2CCOCC2)cc1F	862293038	MTEWDDJPCBKQDD-KRWDZBQOSA-N	324.415	3.422	10	20	DGCD	
CCN(Cc1cc(C)ccc1O)C[C@H]1COc2ccccc2O1	768180583	LVYKULFXWNWNER-INIZCTEOSA-N	313.397	3.363	10	20	DGCD	
CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccc(Cl)cc1	775782159	CSBOBHJLROFWCT-WTKPLQERSA-N	317.776	3.205	10	20	DGCD	
CCCn1c(NC(=O)c2cccc(O)c2O)nc2ccccc21	776328027	WXKCUMGFKALJML-UHFFFAOYSA-N	311.341	3.110	10	20	DGCD	
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1ccccc1O	779201483	QAKUBUHWKBYBGE-OKILXGFUSA-N	320.433	3.222	10	20	DGCD	
CS[C@@H]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	773337565	AZDVQCFVJUSOJN-JGGQBBKZSA-N	321.490	3.397	10	20	DGCD	
CC(C)C[C@@H]1COCCN1Cc1cc(Cl)cc(F)c1O	775690183	KNEOQAIUWHXJBD-CYBMUJFWSA-N	301.789	3.432	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)c1O	775056109	VTWMANYEGBFTAV-FPMFFAJLSA-N	320.389	3.320	10	20	DGCD	
C[C@@H](NC(=O)COC1CCCCC1)c1ccc(N(C)C)cc1	773009806	REEAIQSVALZBAO-CQSZACIVSA-N	304.434	3.279	10	20	DGCD	
CC[C@H](Nc1cccc2c1N(C)C(=O)CO2)c1ccccc1O	883397147	FLGJEOYLZHOEPC-ZDUSSCGKSA-N	312.369	3.311	10	20	DGCD	
Cc1ccncc1CCCN1CCOc2cc(N(C)C)ccc21	787774393	HIEQLIZAZQNJHN-UHFFFAOYSA-N	311.429	3.288	10	20	DGCD	
Cc1ccc(C(=O)OCCCCC2CCOCC2)c(O)c1O	798608462	XQSVSSTWLZAIBK-UHFFFAOYSA-N	308.374	3.160	10	20	DGCD	
CCCCCCNC(=O)CN1CCCc2cc(OC)ccc21	797718601	FPABEDBGKAWIMU-UHFFFAOYSA-N	304.434	3.144	10	20	DGCD	
CC[C@H](N[C@@H](C)C(=O)N1CCCC1)c1cc(Cl)ccc1O	798938240	ZUXILDJFWSQFPH-FZMZJTMJSA-N	310.825	3.097	10	20	DGCD	
CC[C@H](NCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1O	796680475	SPLLMPZQGQFJHB-ZQIUZPCESA-N	324.440	3.071	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNc1ccn(CC(F)F)n1	790976412	BOVDISBBEWJGSH-UHFFFAOYSA-N	305.687	3.258	10	20	DGCD	
CCCc1n[nH]cc1C(=O)NCc1ccc(N(CC)CC)cc1	1320500875	RLZJMAMHHRMBBO-UHFFFAOYSA-N	314.433	3.138	10	20	DGCD	
Cc1ccc(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1	1330601647	JLQURVQESIVHRO-GOSISDBHSA-N	324.424	3.095	10	20	DGCD	
NC[C@H](Cc1ccccc1)[C@@H]1CCCCN1Cc1ccc(N)cc1	1262487926	KFDJZOQTUDSKQA-FPOVZHCZSA-N	323.484	3.441	10	20	DGCD	
CCc1cccc(CN[C@](CC)(C(=O)O)c2ccccc2)c1O	1605829066	XPUFWFVIMKDKPS-IBGZPJMESA-N	313.397	3.434	10	20	DGCD	
CC[C@@H]1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])[C@@H]1C	1605173190	YHKVZESUYUIMKR-HHQZKXIDSA-N	304.346	3.317	10	20	DGCD	
CCc1nc(CCN[C@H](C)c2cc(C(=O)O)ccc2O)cs1	1605851545	HSRXZILQCLNRSJ-SNVBAGLBSA-N	320.414	3.003	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)O)cc1	1776856086	LALORFLVUXLUNG-KBAYOESNSA-N	316.445	3.218	10	20	DGCD	
CCCN(CC1CC1)C(=O)NCc1ccc(N2CC=CC2)cc1	155715403	LKSLLADMUQZPJV-UHFFFAOYSA-N	313.445	3.394	10	20	DGCD	
CSC(C)(C)CNC(=O)NCCCSc1nccs1	154555353	NBQIBZPUNBVQPM-UHFFFAOYSA-N	319.521	3.066	10	20	DGCD	
Cc1ccc(CCNCc2ccc(Br)cc2O)o1	691405702	GFOUYOPHCBPMAV-UHFFFAOYSA-N	310.191	3.388	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(Cl)n1	51073016	QMWFXRPSNIGXIS-UHFFFAOYSA-N	303.793	3.073	10	20	DGCD	
O=C(NCCCNCc1c(O)cccc1Cl)c1cccs1	113354268	YWHHDARSZCKROY-UHFFFAOYSA-N	324.833	3.017	10	20	DGCD	
COCCCCCN1CCCN(c2ccc(OC)cc2)CC1	171499665	DKZZDIUZLLOECH-UHFFFAOYSA-N	306.450	3.024	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(F)c1F	170667528	KWFDDTMXIBQRLI-UHFFFAOYSA-N	316.351	3.495	10	20	DGCD	
CC[C@@H](OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	65841612	CMULLNHKXJAQQQ-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@H](c2ccc(F)c(F)c2)C1	180059323	PZVXIEYYVUKJBL-KRWDZBQOSA-N	323.314	3.383	10	20	DGCD	
CCC(CC)(CN[C@@H](C)c1cc(OC)ccc1O)C(=O)OC	183877388	GTDQMRFMDKCVCU-LBPRGKRZSA-N	309.406	3.031	10	20	DGCD	
O=C(COCc1ccccc1)NCc1ccc(N2CCCC2)cc1	73955054	WPWODSXXMLWEML-UHFFFAOYSA-N	324.424	3.120	10	20	DGCD	
CCS[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)C	188908048	PLZBEEWRKYINKV-MRXNPFEDSA-N	322.474	3.256	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CCCO2)cc1	79391444	QIFZTLZBKNXZFU-KRWDZBQOSA-N	304.434	3.108	10	20	DGCD	
CNC(=O)C(C)(C)CN[C@@H](C)c1ccc(Cl)c(Cl)c1O	186224074	YFLSSZCBLFLHAS-QMMMGPOBSA-N	319.232	3.122	10	20	DGCD	
Oc1ccc(F)cc1CN1CC[C@@H](Oc2cccc(F)c2)C1	183210233	OTCXQXHCMNGMAN-MRXNPFEDSA-N	305.324	3.324	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1O	192916081	TUFZVDSMJOJPJR-ZBFHGGJFSA-N	300.402	3.473	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2ccc(OC)cc2O)C1(CC)CC	236891508	SQAQWNGWIIWHPU-DLBZAZTESA-N	307.434	3.474	10	20	DGCD	
C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccsc1	437002932	ARGLSEBZXSZMAO-GFCCVEGCSA-N	316.426	3.343	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C2CC2)cn1	446030804	XNHFPTRYUKYHRI-UHFFFAOYSA-N	323.396	3.064	10	20	DGCD	
Cc1nc(-c2cccc(NC(=O)c3cccc(O)c3O)c2)[nH]c1C	366076414	ZAUOKZYMLBBIIE-UHFFFAOYSA-N	323.352	3.357	10	20	DGCD	
O[C@@H](COc1ccccc1)COc1ccc(N2CCCC2)cc1	270204190	ZXEHOTPQIJIRHU-KRWDZBQOSA-N	313.397	3.106	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2cccc(C)c2)c1O	278183782	HBDKYQOIRDRUIY-UHFFFAOYSA-N	316.357	3.249	10	20	DGCD	
Cc1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)no1	800502362	AQKNIYYCGVNEIH-HUUCEWRRSA-N	315.417	3.231	10	20	DGCD	
CN(C)c1ccc(CN(Cc2c[nH]c3nccnc23)C2CC2)cc1	290391260	JJZIXGNXQAYDMK-UHFFFAOYSA-N	321.428	3.189	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCCN1)c1ccc(N2CCCCC2)cc1	817945850	NINLLWDPKPRFBX-AEFFLSMTSA-N	301.478	3.470	10	20	DGCD	
Cc1cccc2c1OC[C@@H](NCc1cc(Cl)ccc1O)C2	810178938	ZKUOTBQZBGVACO-HNNXBMFYSA-N	303.789	3.447	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@](C)(OC)C3CC3)CC2)cc1	812735060	VKYNVLFKUMXWPV-LJQANCHMSA-N	318.461	3.069	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H](N3CCCC3)C[C@H]2C)cc1Cl	825885145	DGAADLAAVHADHQ-UKRRQHHQSA-N	308.853	3.413	10	20	DGCD	
C[C@@H]1CN(Cc2ccc3ccccc3c2O)CCN(C2CC2)C1	824445649	JHKXVXVLAYMURB-OAHLLOKOSA-N	310.441	3.462	10	20	DGCD	
CCN(CC)c1ccc(CNCCN2CCC[C@@H](C)C2)cc1	727644168	ZAFTXXCDFUSRHD-QGZVFWFLSA-N	303.494	3.354	10	20	DGCD	
O=C(O)[C@@H]1C[C@H](NCc2ccc3c(c2)CCCO3)c2ccccc21	900047735	UJSDNGIRLJVTSE-MSOLQXFVSA-N	323.392	3.414	10	20	DGCD	
O=C(/C=C\c1cccnc1)N(CCN1CCCC1)c1ccccc1	739650585	WLDUPAGGPCWICS-KHPPLWFESA-N	321.424	3.224	10	20	DGCD	
CCN(C(=O)[C@H](C)OC(=O)c1cc(O)cs1)c1ccccc1	732354561	VTPVKSYPDBDNAN-NSHDSACASA-N	319.382	3.052	10	20	DGCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1nc2ccc(Cl)cc2[nH]1	732580218	YSFUJXJXVSRDQA-SSDOTTSWSA-N	321.789	3.474	10	20	DGCD	
CCOCc1cc(CNC[C@@](C)(O)[C@@H](C)CC)ccc1OC	732820986	RLTNMCKCTWINHT-KBXCAEBGSA-N	309.450	3.118	10	20	DGCD	
COC1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	838559716	OYQYYMIJMSECEO-KTAKPFMOSA-N	319.449	3.070	10	20	DGCD	
O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(O)cs1	731863786	DZGCLPPOXTYCJL-ZDUSSCGKSA-N	320.414	3.004	10	20	DGCD	
COc1ccc2oc(C)c(C(=O)NCc3ccccc3O)c2c1	748345035	GILVIAAGRZOOTC-UHFFFAOYSA-N	311.337	3.385	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1cccc(CN(C)C)c1	840936296	IRWUESFTFDQJGO-UHFFFAOYSA-N	311.473	3.412	10	20	DGCD	
CC[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(Br)ccc1O	840822735	VFTBAPHSEYATML-BHYNMZESSA-N	314.223	3.373	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc2c1OC(C)(C)C2	847569635	GLHGTNNCLRILTF-UHFFFAOYSA-N	311.381	3.378	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](CCO)c2ccccc2F)c1	842922804	DTEDZQMNRIIDEX-SJKOYZFVSA-N	319.376	3.314	10	20	DGCD	
COC1(C(F)(F)F)CCN(Cc2ccc(N(C)C)cc2)CC1	841888549	LNXSMOOQPXVWMA-UHFFFAOYSA-N	316.367	3.296	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cc(F)cnc2Cl)c1O	846168706	CTEHIQOZGTUTNW-SECBINFHSA-N	310.756	3.439	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](O)c2c(F)cccc2F)c1O	846154036	JDCNTVLBKJIEFM-HZMBPMFUSA-N	323.339	3.063	10	20	DGCD	
C[C@H](NCCc1nc2c(s1)CCC2)c1c(O)cccc1F	926928358	DMWGYBXJEKAQSZ-JTQLQIEISA-N	306.406	3.370	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCCc2ccccc21)c1ccc(F)cc1O	756561742	HQGDEZHMVSVLLW-BFUOFWGJSA-N	315.388	3.406	10	20	DGCD	
Cc1ccc([C@H](C)NCc2csc(N(C)C)n2)c(O)c1C	756638868	WEQMFQZRJBOWIT-LBPRGKRZSA-N	305.447	3.382	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cc(F)ccc2F)c1	756549400	NJCCWNFCHHICJC-SNVBAGLBSA-N	321.323	3.308	10	20	DGCD	
CCOc1cccc(CNC[C@H](CC(=O)O)CC(C)C)c1O	854244106	PSBUYJKELSUKQY-ZDUSSCGKSA-N	309.406	3.018	10	20	DGCD	
C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	920053453	DWNRCVVXVUPDFA-AWEZNQCLSA-N	315.461	3.473	10	20	DGCD	
Fc1cc(CNCCCC2CCC2)ccc1N1CCOCC1	850379240	IOXLRTGAHNAGBG-UHFFFAOYSA-N	306.425	3.332	10	20	DGCD	
CCOc1cccc(CNC[C@H](O)[C@@H](C)c2ccccc2)c1O	850412269	VICIHGLBJAZJGX-YOEHRIQHSA-N	315.413	3.045	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC([C@@H]3CCCCO3)CC2)cc1	850750774	OQESRWNMSKLGGO-INIZCTEOSA-N	303.406	3.082	10	20	DGCD	
OC1CCN(c2ccc(CNCc3ccc(Cl)o3)cc2)CC1	850406201	XEBIFWXBSPOEDS-UHFFFAOYSA-N	320.820	3.184	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CCCS1	751301762	GZKDDABSRSQBTE-ZDUSSCGKSA-N	324.409	3.230	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCc3cc(F)ccc32)cc1	854271633	NXTJAJICHANZRJ-SFHVURJKSA-N	312.388	3.238	10	20	DGCD	
C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1O	756503965	RHWZAYAHJMMYFG-ONGXEEELSA-N	322.758	3.333	10	20	DGCD	
C[C@H](NC(=O)c1cccc2ncn(C)c12)c1ccc(N(C)C)cc1	863905596	IVPFFDWAIHNLFQ-ZDUSSCGKSA-N	322.412	3.130	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ccc(C=O)cc1	860048943	LGBWTYQBDYHGDJ-UHFFFAOYSA-N	311.381	3.186	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@H](c3cc[nH]n3)C2)cc1F	862228184	MVBWNQBSJPEOIG-LBPRGKRZSA-N	320.387	3.134	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H]2c2cc(C)no2)c1	768878545	QRJPTNVWMXBKEY-HNNXBMFYSA-N	302.374	3.424	10	20	DGCD	
COc1c(F)cc(F)cc1NC(=O)N(C)Cc1ccccc1O	761683267	SDYPUBKOCLHMLJ-UHFFFAOYSA-N	322.311	3.343	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cn1nccc1-c1cccnc1	766338681	CNHUVMUFKNBQEU-UHFFFAOYSA-N	320.396	3.364	10	20	DGCD	
CCOC(=O)N1CCC[C@H]([C@@H](C)N[C@@H](C)c2ccccc2O)C1	776864623	MIGNGHHZHWNFTG-ILXRZTDVSA-N	320.433	3.300	10	20	DGCD	
Cc1ccccc1OCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773017485	GSGMXSJMKRTOOO-HNNXBMFYSA-N	312.413	3.317	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCO[C@H](Cc2ccccc2)C1	776691758	MMOQVAFXJJWZSZ-QGZVFWFLSA-N	317.816	3.489	10	20	DGCD	
CN(C)c1ccc([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1	877857688	XOBUIDFEESIWIZ-KRWDZBQOSA-N	315.461	3.152	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CCO)C(F)(F)F)cc1F	886371979	ZKYNMMDQURIJNQ-CQSZACIVSA-N	322.346	3.075	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@H]1OCCc2ccccc21	882995221	MXNMWUUQLSLDEA-MRXNPFEDSA-N	305.324	3.074	10	20	DGCD	
COc1ccc(CNC2(c3cccc(F)c3)CC2)c(O)c1OC	892988594	IUSCCDSIVKGEHQ-UHFFFAOYSA-N	317.360	3.327	10	20	DGCD	
CCC[C@@H](CC)C(=O)NCCNCc1ccc(OC)c(C)c1	1135883890	FQUZBXHDDVSHAU-MRXNPFEDSA-N	306.450	3.036	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)c(O)c1O	781048272	HHLIHKWVVUQLKO-NXEZZACHSA-N	317.307	3.209	10	20	DGCD	
COCc1cc([N+](=O)[O-])ccc1NCc1ccc(OC)cc1O	795285898	VFRSDFBQQHOXDN-UHFFFAOYSA-N	318.329	3.068	10	20	DGCD	
CC(C)CCOCCNCc1c(O)cccc1Br	706829954	ITAVXUCHSZJFTD-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
COc1ccc(CNC(=O)/C=C\c2ccc(Cl)s2)c(O)c1	794378052	XBNDJAOCWJFMEF-ALCCZGGFSA-N	323.801	3.445	10	20	DGCD	
CO[C@H]1CCOc2c(NC(=O)c3cc(O)cs3)cccc21	791096712	MBPLEODSRNFNMJ-LBPRGKRZSA-N	305.355	3.176	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@@H](n2ccnc2)C1	792166311	VAJCYSUNEFEGTP-LLVKDONJSA-N	309.772	3.218	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](C)OC2CCCCCC2)c(O)c1	794376935	DDAGHIVRAIWXBB-CYBMUJFWSA-N	321.417	3.145	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2ccc3c[nH]nc3c2)c1	793573599	RSZBLRLJUGLPSM-GFCCVEGCSA-N	311.385	3.170	10	20	DGCD	
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N)cc1	1262570584	ZGIAHFHAKTWLFJ-SFHVURJKSA-N	311.429	3.479	10	20	DGCD	
Nc1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1	1262488376	ZZNILQNDTWOHQZ-UHFFFAOYSA-N	309.457	3.271	10	20	DGCD	
C[C@@H](NCc1ccc(N)cc1)c1cccc(N2CCCC2=O)c1	1345160153	SKCDDBFKZJNIDO-CQSZACIVSA-N	309.413	3.246	10	20	DGCD	
C[C@@H]1[C@@H](CC(=O)O)CC[C@H]1NCc1ccc(N2CCCC2)cc1	1609839048	HJHAYZBKHAWMCS-QGPMSJSTSA-N	316.445	3.266	10	20	DGCD	
C[C@H](N[C@H](C)CCc1ccco1)c1cc(C(=O)O)ccc1O	1609740389	DYIQMBDSGXAFQH-NEPJUHHUSA-N	303.358	3.355	10	20	DGCD	
O=C(O)c1ccc2[nH]cc(C(=O)CSc3nccs3)c2c1	1602410036	WOTQPVQUHLPBLT-UHFFFAOYSA-N	318.379	3.298	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](O)CSc1ncc(C(=O)O)s1	1609808334	XAKTZTBVDBRDEY-KOLCDFICSA-N	309.412	3.098	10	20	DGCD	
CCOc1ccc(CNc2ccc(C(=O)O)c(OC)c2)c(O)c1	1597105748	RESFBNSCQJGHPV-UHFFFAOYSA-N	317.341	3.110	10	20	DGCD	
CC(C)NC(=O)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1	160975779	WWJBWSYFNLULIB-INIZCTEOSA-N	317.477	3.242	10	20	DGCD	
CC1(C)CN(Cc2cc(Br)ccc2O)CCCO1	310984291	RMSBVDLCMJFAQN-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
Cc1cc(Br)cc(CN2CCC(F)(F)C2)c1O	313306242	CPNHCIIFTQIBSB-UHFFFAOYSA-N	306.150	3.304	10	20	DGCD	
C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1ccccc1O	109769924	VPLOLSZHPKPFPL-LLVKDONJSA-N	320.339	3.129	10	20	DGCD	
CCCOC(=O)[C@H](C)N(Cc1ccco1)Cc1ccccc1O	119484825	DFNAUYIUGVTZBA-AWEZNQCLSA-N	317.385	3.329	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC(NC(C)C)CC2)c1O	177116763	PKBDDRRQAVTTFZ-UHFFFAOYSA-N	324.852	3.211	10	20	DGCD	
COc1cc(N(C)Cc2ccn(C(C)C)n2)cc(OC)c1OC	172896096	NWWSMVABONZHMM-UHFFFAOYSA-N	319.405	3.126	10	20	DGCD	
CCN1CCN(C(=O)/C=C/c2cnc(C)s2)c2ccccc21	171997814	MHOJCLFKONBZBR-CMDGGOBGSA-N	313.426	3.338	10	20	DGCD	
CC(C)(C)[C@@H](Cn1ccnc1)NCc1cc(Cl)ccc1O	37156666	GSRWROZQRDOIEC-OAHLLOKOSA-N	307.825	3.447	10	20	DGCD	
CCN(CC)c1ccc(CNc2nnc([C@H]3CCCO3)o2)cc1	181802726	VCFVRUIOTYCCBD-OAHLLOKOSA-N	316.405	3.379	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCCN(C)C)c1	78727132	QZURLDJNNZBRSH-UHFFFAOYSA-N	313.445	3.084	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@H]1CCN(CC(F)(F)F)C1	37648206	NCHPPDPEBUABAB-SNVBAGLBSA-N	322.758	3.019	10	20	DGCD	
CCCCc1nc(CN(C)c2ccc(OC)cc2OC)no1	131857803	LNIHVXIGJHDWQZ-UHFFFAOYSA-N	305.378	3.066	10	20	DGCD	
COc1ccc2c(c1)N(Cc1cccc(OC)c1O)C[C@@H](C)O2	131300697	LGXSIOVPVHANGH-GFCCVEGCSA-N	315.369	3.197	10	20	DGCD	
Cc1nc2ccccc2n1CCNCc1ccc2c(c1)CCO2	43288649	LHQAKGOFMYPPAJ-UHFFFAOYSA-N	307.397	3.069	10	20	DGCD	
Cc1noc2ncnc(NCc3ccc(N4CCCC4)cc3)c12	195508600	YIFDASCSBMQCSX-UHFFFAOYSA-N	309.373	3.139	10	20	DGCD	
CC[C@H](NCCc1ccc2c(c1)OCCO2)c1ccccc1O	192873285	CZTRUBARNKFUCP-INIZCTEOSA-N	313.397	3.447	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1csc2ccccc12	192602709	QYVAGQBJANBSQQ-UHFFFAOYSA-N	313.378	3.285	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cc(O)ccc1Br	91974559	NKHIBQKHMVYMPG-UHFFFAOYSA-N	322.202	3.492	10	20	DGCD	
Cc1cc(O)c(CN2CCc3nc(C4CC4)ncc3C2)cc1C	529665156	KUCPYEPUKNLJQW-UHFFFAOYSA-N	309.413	3.235	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1/C=C/c1ccccc1	366757335	RTEXWOOQTXOZMS-AYJWMTRPSA-N	309.365	3.416	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc(C)ccc2O)cc1[N+](=O)[O-]	273566061	JOZAGZOXHXBENL-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)c(O)c1O	271304234	TZKJRIBAUHOJLO-UHFFFAOYSA-N	312.369	3.259	10	20	DGCD	
CC(C)CN1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	273376986	HJNCPAMRDOKUCU-ZDUSSCGKSA-N	321.421	3.071	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCCO1)c1cc(Br)ccc1O	273299358	AYIBWQMUCMQIKO-PWSUYJOCSA-N	314.223	3.374	10	20	DGCD	
CCOCCC1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	273506561	QZODGHUXOHQCFR-GFCCVEGCSA-N	308.378	3.158	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)COCC(F)(F)F)c1	273585113	NNIAIAGTRDNOHR-ZJUUUORDSA-N	307.312	3.019	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC=C(c2ccccc2)C1	375943479	ZXQYPFPEZMYILB-PKNBQFBNSA-N	321.376	3.427	10	20	DGCD	
CC[C@H](NCCOc1ncccc1F)c1ccc(C)cc1O	280146924	PYIQLDLKHHGWND-HNNXBMFYSA-N	304.365	3.354	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCc2ccc(C)n(C)c2=O)c1O	808716671	SFDOZBCFNAGTEE-LBPRGKRZSA-N	320.820	3.212	10	20	DGCD	
Cc1noc([C@H]2CCCCN2Cc2cc(Cl)ccc2O)n1	809719017	USWHGCYNMDCHFG-CYBMUJFWSA-N	307.781	3.464	10	20	DGCD	
CN(C)c1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1	814284441	HFCUXLTWZKXRNA-UKTHLTGXSA-N	304.440	3.116	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1	815103966	WREUTPSUTNIBHP-LJQANCHMSA-N	311.429	3.191	10	20	DGCD	
Cc1cc(CN[C@H](CO)c2c(F)cccc2F)ccc1N(C)C	815086242	IVBFSHRVRXWISE-MRXNPFEDSA-N	320.383	3.162	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)CCO2	817902542	TWERPXGPEIBYOY-FGTMMUONSA-N	300.446	3.022	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)CCC3CCC3)C2)cc1	819585545	YSZDBFJKJZKLRI-INIZCTEOSA-N	316.445	3.218	10	20	DGCD	
COc1ccc(CNC[C@H](c2ccccc2)c2nc[nH]n2)cc1C	825123722	BZTZQDVMCBJVDQ-QGZVFWFLSA-N	322.412	3.043	10	20	DGCD	
CCc1ccc([C@H](CNC(=O)c2cc(O)cs2)N(C)C)cc1	731864061	NBODLRRPEFISPV-HNNXBMFYSA-N	318.442	3.049	10	20	DGCD	
Cc1ncsc1CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	839729143	RQTBKOIGAKHFHQ-GFCCVEGCSA-N	317.458	3.328	10	20	DGCD	
C[C@H](NCc1cnn(CC2CCC2)c1)c1cc(F)ccc1O	903240496	SORNDAZCNYMRMX-LBPRGKRZSA-N	303.381	3.379	10	20	DGCD	
C[C@@H](NCCOCC1CCCC1)c1cc([N+](=O)[O-])ccc1O	834909214	JXNRHWSCGKHYFN-GFCCVEGCSA-N	308.378	3.158	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1	903447833	CWYJLXUHWLVXBY-DYVFJYSZSA-N	318.490	3.163	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](CC)C(=O)OCC	839759023	HYSBRXPEZRMRJA-OAHLLOKOSA-N	321.417	3.110	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)(Cl)Cl	839919465	HGMBZOPTYHCCIE-LLVKDONJSA-N	317.260	3.302	10	20	DGCD	
CC(C)(C)NC(=O)c1cccc(NC(=O)c2cc(O)cs2)c1	732273422	VYGZKHIZJIOCLO-UHFFFAOYSA-N	318.398	3.234	10	20	DGCD	
COc1ccc(N(CC2CC2)C[C@@H]2CC3(CCC3)C(=O)O2)cc1	831587870	NVVIGVIWYDRMKX-KRWDZBQOSA-N	315.413	3.397	10	20	DGCD	
CCc1nc(C)c(CN(C)CCN(C)c2ccc(OC)cc2)o1	844402985	YQXITNZSJCIEMI-UHFFFAOYSA-N	317.433	3.122	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2CCOc1ccccc1F	746492688	JRFNVBIUNWMHGC-UHFFFAOYSA-N	316.376	3.170	10	20	DGCD	
CC[C@@H](C)NC(=S)NCc1ccc(N2CCSCC2)cc1	749768623	ZDMWBTFMJMJZGU-CYBMUJFWSA-N	323.531	3.002	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O	841765675	UXQSCQWHNJHJNM-DGCLKSJQSA-N	318.795	3.426	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC[C@@]1(C)N	843488442	ZTNCHNNXCZCEFZ-PKOBYXMFSA-N	317.477	3.009	10	20	DGCD	
C[C@@H]1C[C@H](CN(C)Cc2ccc(N3CCCCC3)cc2)CCN1	841003262	PDVJFGZHKCAUQH-IEBWSBKVSA-N	315.505	3.497	10	20	DGCD	
NCc1ccc2c(c1)CCCN2CCOc1ccc(F)cc1	843350533	UJMBRZMCZIGHMK-UHFFFAOYSA-N	300.377	3.116	10	20	DGCD	
COc1cccc([C@H](C)NCC(C)(C)N2CCCCC2)c1O	846136046	GRZVIOGFOKDTOI-AWEZNQCLSA-N	306.450	3.316	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NCCC2CC2)C2CC2)cc1	745899514	SCULKLKZJQHMIB-UHFFFAOYSA-N	301.434	3.227	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C2CCCCC2)cc1	844851908	LBCKCSQFXPVPDW-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
OCC[C@H](NCc1ccc2c(c1)CCCO2)c1cccs1	921771073	PFUXAANGTLIPTJ-HNNXBMFYSA-N	303.427	3.286	10	20	DGCD	
C[C@@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	840878957	AHRPAUOPAYETQO-YPMHNXCESA-N	307.340	3.097	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)Cc1cnccn1	840894045	OUCXIKUCRYOHJM-HOTGVXAUSA-N	312.461	3.003	10	20	DGCD	
CC[C@H](C)Oc1cc(-c2noc(Cc3ccc(N)cc3)n2)ccn1	843192646	GSXIFLOTOWSCFN-LBPRGKRZSA-N	324.384	3.482	10	20	DGCD	
CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)OC(C)(C)C	756659161	OCZPBJNHGVTXEP-ZWNOBZJWSA-N	324.377	3.071	10	20	DGCD	
CC1CC(CNC(=O)NCc2ccc(N3CCCC3)cc2)C1	856825931	OBYCHYKPDKAHEQ-UHFFFAOYSA-N	301.434	3.132	10	20	DGCD	
C[C@H]1C[C@H](NCCOCC(F)(F)F)c2c(O)ccc(F)c21	756467949	AXBNFMOACGVLGA-WPRPVWTQSA-N	307.287	3.248	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cccc3c2OCC3)c1	858478482	ROCUZNIUYAVNIT-NSHDSACASA-N	313.353	3.287	10	20	DGCD	
C[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)Oc1ccccc1	868253059	LUMDVFCTQYHQPN-UONOGXRCSA-N	314.385	3.220	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	765419672	DAJAHUVYDCEQPU-UHFFFAOYSA-N	318.354	3.167	10	20	DGCD	
Oc1ccccc1CNc1nc(-c2cccnc2)nc2c1CCC2	768524732	CIBCOLXQHBUPBI-UHFFFAOYSA-N	318.380	3.345	10	20	DGCD	
COC(=O)[C@@H]1c2ccccc2CCN1Cc1ccc(N(C)C)cc1	769516986	XRTHKANVEVUBFS-IBGZPJMESA-N	324.424	3.025	10	20	DGCD	
CC1(C2CCN(Cc3cc(Cl)ccc3O)CC2)OCCO1	769400568	UMUIDBOHBAHZBW-UHFFFAOYSA-N	311.809	3.021	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@H]1n1ccnc1	775738245	XFUNCAWPVZPHIU-IAQYHMDHSA-N	323.799	3.464	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC(C(C)C)C(C)C)c1O	775101171	IRHPRBFAFACRSO-UHFFFAOYSA-N	310.394	3.327	10	20	DGCD	
CC[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876613865	WVXDHTAEJFZELN-MRXNPFEDSA-N	302.462	3.270	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2NCc1c(O)cccc1Cl	776176095	XWPOSUJNZFXFOK-AWEZNQCLSA-N	303.793	3.311	10	20	DGCD	
CN1CCN(c2ccc(CN(C)Cc3cccs3)cc2)CC1	775643473	YRWHEFYVQOROAJ-UHFFFAOYSA-N	315.486	3.132	10	20	DGCD	
C[C@@H](NCc1cccc2c1OCCO2)c1ccc(N(C)C)cc1	772981987	HQMANQOHUVDBAM-CQSZACIVSA-N	312.413	3.375	10	20	DGCD	
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(N)cc2)o1	1120263940	WZQIECIQYCEKKP-GOSISDBHSA-N	320.396	3.260	10	20	DGCD	
Cc1cc(C(=O)N2CCC[C@H](CF)C2)c(C)n1-c1ccccn1	881593186	BGGXSRYMBDRSBX-OAHLLOKOSA-N	315.392	3.311	10	20	DGCD	
COc1cc(F)c(NCc2cc(C)cc(OC)c2O)cc1OC	894115111	IUDMGKPRGZSSQM-UHFFFAOYSA-N	321.348	3.478	10	20	DGCD	
C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1	898449662	IQJNPURZZTXIRE-KXBFYZLASA-N	312.461	3.101	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cccn(CC)c2=O)cc1	788523535	DWUIVKJTTAMHGB-UHFFFAOYSA-N	313.445	3.004	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21	784106255	LZNSYKWSFQTDIM-ONEGZZNKSA-N	323.352	3.209	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1c(C)nc2ccccn12	898273575	BEXUHIMPKIGLNZ-UHFFFAOYSA-N	308.429	3.307	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)C[C@H](O)c2ccccc2)c1O	894365867	AXVCKTAGIPNCBU-YOEHRIQHSA-N	315.413	3.311	10	20	DGCD	
CC(C)n1cc2ccc(NC(=O)c3cccc(O)c3O)cc2n1	790766751	FBNDDHKQUWIACL-UHFFFAOYSA-N	311.341	3.281	10	20	DGCD	
CN(CCC(=O)OC(C)(C)C)Cc1c(O)ccc(Cl)c1F	792169505	LCBXDBNXYBDNBK-UHFFFAOYSA-N	317.788	3.348	10	20	DGCD	
CCOC(=O)c1cc(CN(C)c2ccc(OC(C)C)cc2)[nH]n1	1328511074	FLVGGKLTFVCING-UHFFFAOYSA-N	317.389	3.010	10	20	DGCD	
Cc1ccc([C@@H](C)NCCc2nc(C(C)C)no2)c(O)c1C	1320131156	DCIGOFBFHGDOLE-CYBMUJFWSA-N	303.406	3.409	10	20	DGCD	
COc1ccc(N[C@@H](C)c2cc(C(=O)O)ccc2O)c(OC)c1	1607275296	DIDCCLHGBGAQRC-JTQLQIEISA-N	317.341	3.281	10	20	DGCD	
O=C(O)c1cnc(S[C@@H]2CCO[C@H](c3cccnc3)C2)s1	1608978772	RABVHQNKJFXJSW-MNOVXSKESA-N	322.411	3.249	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](CCC(=O)O)C2)cc1Cl	1594327011	MTBDBOWJQAOJFX-GFCCVEGCSA-N	311.809	3.431	10	20	DGCD	
CN(C)c1ccc(OCc2cc(F)ccc2F)cc1C(=O)O	1598328588	ULVQBKZDMCLKBH-UHFFFAOYSA-N	307.296	3.308	10	20	DGCD	
CC(C)(C)CC[C@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	1776246353	VTHVSZRXBMYBKH-SFHVURJKSA-N	305.418	3.381	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H]3CC[C@H](CC(=O)O)C3)ccc21	1776876448	ZMOYEAKCIZWLEE-WMLDXEAASA-N	316.445	3.192	10	20	DGCD	
Cc1cccc(CCNCc2ccc(N3CCOCC3)cc2)c1	155916959	CBFCYPWVBSVBOA-UHFFFAOYSA-N	310.441	3.164	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(O)c1	156841799	VEJMKQJDOREIHX-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
CC[C@H]1CN(Cc2cccc(Br)c2O)[C@H](C)CO1	403745182	AETAPEVMLNNXNQ-PWSUYJOCSA-N	314.223	3.154	10	20	DGCD	
Oc1ccc(F)cc1CN(Cc1ccco1)C[C@@H]1CCCO1	179977855	LSRUYTCUXPWSMZ-INIZCTEOSA-N	305.349	3.306	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)CC[C@H](C)O)c2C)c1	177462150	IURSYPKCNHGRQK-HNNXBMFYSA-N	314.429	3.245	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@](C)(O)c2ccco2)cc1	174529932	DTTOPBWGCBYTGM-GOSISDBHSA-N	302.418	3.123	10	20	DGCD	
COc1ccc(CCNCc2c(O)cccc2Cl)cc1OC	113310808	MEKNRBTXYRFRNA-UHFFFAOYSA-N	321.804	3.395	10	20	DGCD	
CCCN(Cc1nnc(OCC)s1)Cc1ccccc1O	68973535	CFNDSANRUOBGID-UHFFFAOYSA-N	307.419	3.055	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCO[C@]3(CCSC3)C2)c(O)c1	186136661	YHTOZPGJOFFGBG-CKEIUWERSA-N	307.459	3.406	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(F)cc2O)C1	185657412	JRDJJEMLORZWLR-CVOVGHTJSA-N	313.438	3.262	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ccc(Cn3cncn3)cc2)c1	184953887	WBXWTICQGXFWJV-HNNXBMFYSA-N	322.412	3.191	10	20	DGCD	
O=C(Nc1ccc(-c2ccccc2)cn1)c1cccc(O)c1O	192988376	WAQFKMCGBVKMEK-UHFFFAOYSA-N	306.321	3.412	10	20	DGCD	
Cc1ccc(C)c(OCCC(=O)NCCc2ccc(N)cc2)c1	237651643	HJVKYWQBRTVGQG-UHFFFAOYSA-N	312.413	3.013	10	20	DGCD	
CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1	255862484	RKHPKWRYLNRJIQ-OQFOIZHKSA-N	317.732	3.319	10	20	DGCD	
CCC(=O)N1CC[C@@H](NCc2cc(-c3ccccc3)ccc2O)C1	268569373	PZPUEAUVMUKOMM-GOSISDBHSA-N	324.424	3.160	10	20	DGCD	
Nc1ccc(CCNC(=O)C[C@@H]2CCc3ccccc3C2)cc1	262570708	CXXXXFUPHPIZIN-MRXNPFEDSA-N	308.425	3.123	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1	367684782	LLVGFASPQICZQO-HZPDHXFCSA-N	319.445	3.430	10	20	DGCD	
CCOC(C)(C)CNC1CCN(c2ccc(OC)cc2)CC1	377308824	NKUSDTTUHCZVRB-UHFFFAOYSA-N	306.450	3.069	10	20	DGCD	
C[C@H](NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cc(F)ccc1O	289846551	QEWVNDGLWGECRD-SOVGHPHASA-N	315.388	3.348	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@H](C)c2c(C)cc(C)cc2O)cc1	284113303	NLTAPMWYVQCQRN-KDOFPFPSSA-N	315.413	3.402	10	20	DGCD	
C[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C(C)(C)C1	380402776	RAZSPOUJRCHNKR-ZRQQLDRUSA-N	304.346	3.317	10	20	DGCD	
Cc1cc([N+](=O)[O-])ccc1NNC(=S)Nc1ccccc1F	806589558	HSLNNTHXLCIMGU-UHFFFAOYSA-N	320.349	3.356	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)NCC1CC(F)(F)C1	292021115	XDEJRUCUSPRPID-UHFFFAOYSA-N	324.371	3.116	10	20	DGCD	
Cc1cccc(CNCc2ccc(N3CCOCC3)cc2)c1F	296482684	QCRMXXFUJYMFCY-UHFFFAOYSA-N	314.404	3.261	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C(F)(F)F)cc1	806464368	GOSGWFDOKWBLEP-NSHDSACASA-N	317.355	3.283	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@]3(CCCN(C)C3)C2)c(O)c1	293661037	NXPACNWRBZZWOI-LJQANCHMSA-N	318.461	3.099	10	20	DGCD	
CN1CCC[C@@]2(CCN(Cc3cc(Cl)cc(F)c3O)C2)C1	816641894	JIORZSLGNVWWKD-MRXNPFEDSA-N	312.816	3.102	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCc1ccc2c[nH]nc2c1	816603320	FOIVQUWXVUFHTA-UHFFFAOYSA-N	319.767	3.393	10	20	DGCD	
C[C@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1cc(F)cc(F)c1O	813874359	AEDKTZBITIOWBN-UWCDFFNFSA-N	311.372	3.262	10	20	DGCD	
Cc1cc(CN2CCN(C3CCC3)C[C@@H](C)C2)ccc1N(C)C	815120491	JZNWXFFRTZBKHU-INIZCTEOSA-N	315.505	3.367	10	20	DGCD	
Nc1ccc(CCN[C@@H]2CCCOc3cc(F)ccc32)cc1	817957830	PNVSUHLDAOCHTG-QGZVFWFLSA-N	300.377	3.454	10	20	DGCD	
CCC[C@H](C)C(=O)NCCNCc1ccc2ccccc2c1O	816626010	SGYXLJFWRBFMMT-AWEZNQCLSA-N	314.429	3.187	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)C[C@@H]3CCCN3C)c2c1	817372900	LHCKPRVVICDODD-HNNXBMFYSA-N	314.429	3.080	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H](C)NC(=O)c3ccccc32)cc1C	811509225	NRNWWGRZNWPSJQ-AWEZNQCLSA-N	310.397	3.148	10	20	DGCD	
CO[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	814405513	MRWNQDUVFKMNKD-FUHWJXTLSA-N	316.445	3.108	10	20	DGCD	
COc1ccc(O)c(CN2CCOC[C@@H]2c2ccc(F)cc2)c1	825046222	QVJHSHXKEJZEPR-QGZVFWFLSA-N	317.360	3.113	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1CCOCc2ccccc21	492763173	NTRIWPRUSFHNJA-SREVYHEPSA-N	300.383	3.028	10	20	DGCD	
Oc1cc2c(cc1CNC[C@H]1CSc3ccccc31)OCO2	824483563	QJASYMCYQMYYDH-LBPRGKRZSA-N	315.394	3.100	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CC[C@@H](C(=O)O)CC2)cc1	904056564	DMJWURDSYMYVAU-IYBDPMFKSA-N	304.434	3.266	10	20	DGCD	
COC(=O)c1cnc(SCCCCn2ccnc2C)s1	829681038	MGXHGIAEFPBLIY-UHFFFAOYSA-N	311.432	3.007	10	20	DGCD	
CN1CCCc2cc(CNCc3ccc4c(n3)CCC4)ccc21	838917940	OCKXXRCZSYHDOU-UHFFFAOYSA-N	307.441	3.243	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H](c2nncn2C)C(C)C)cc1	903063059	YKYWJMPGAZYUNA-RHSMWYFYSA-N	315.465	3.319	10	20	DGCD	
CCOC(=O)Nc1ccc(NC(=O)c2cc(O)cs2)cc1	732272593	XHNNEVGWWLKTPE-UHFFFAOYSA-N	306.343	3.274	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)CCN(C)C)c1	747173223	NMBHKDDKDPNCPS-UHFFFAOYSA-N	313.445	3.036	10	20	DGCD	
Cc1ccc(SCC(=O)NCc2ccccc2O)c(C)c1	748355462	ZCIMLWCIPTWNAL-UHFFFAOYSA-N	301.411	3.418	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1	840949586	YPOKIXQIHNRRMH-MOPGFXCFSA-N	300.446	3.204	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1c[nH]nc1-c1ccccc1	917310459	WZESELPJOWCRQL-UHFFFAOYSA-N	307.353	3.055	10	20	DGCD	
CC(C)C[C@]1(C)CCCN1C(=O)NCCc1ccc(N)cc1	841956251	ZUOSJKGSJTYTGL-SFHVURJKSA-N	303.450	3.422	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ccccc1CC(=O)O	846235659	YHUIREYALCRRAZ-UHFFFAOYSA-N	311.381	3.275	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H]2CCCC[C@@H]12	841960931	YALVSZPMWFWBRE-COXVUDFISA-N	301.434	3.031	10	20	DGCD	
CC[C@H](O)CCCN[C@H](C)c1ccc(Br)cc1O	756734026	UPPBHURMPKVLJX-PWSUYJOCSA-N	316.239	3.356	10	20	DGCD	
C[C@@H](NC[C@H]1C[C@@H](O)C1)c1ccc(N2CCCCC2)c(F)c1	858546066	YHXGIGUSBXVCEI-FMKPAKJESA-N	306.425	3.238	10	20	DGCD	
CC(C)c1cccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1	853001194	MHEWDMAQVCDFMW-KPKJPENVSA-N	321.423	3.096	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1	858153245	JRUNLSSIPHLQGL-WMLDXEAASA-N	320.433	3.095	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cccc(-n3cccn3)c2)c1	756714059	XYEBMNNQARGSTN-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
Cc1cccc2c1CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2	760671125	YDQKNJRDEOFVLC-SOFGYWHQSA-N	309.365	3.004	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2CO[C@@H](C)C2)c(C)n1-c1ccccc1	863164324	GEOVHANJSJQWGW-WMLDXEAASA-N	312.413	3.135	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(C)(C)C(=O)OC)cc1F	769305124	IKUFIDHMMLYPOC-UHFFFAOYSA-N	310.413	3.055	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2SCCc3ccccc32)c1	862759613	HDYDULJAFMZORL-QGZVFWFLSA-N	313.422	3.347	10	20	DGCD	
C[C@H]1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)N1C1CCC1	761576053	AEJSFJRZHLGZTJ-OLZOCXBDSA-N	315.417	3.019	10	20	DGCD	
CCN1C(=O)/C(=C/c2ncccc2C(F)(F)F)SC1=S	765499373	INWNGBHQYPRHEL-TWGQIWQCSA-N	318.345	3.322	10	20	DGCD	
CCOc1ccc(CN2CC[C@@H](C3CCOCC3)C2)c(O)c1	769519594	TVFQIQODXAGOLX-OAHLLOKOSA-N	305.418	3.039	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)NCC1CCCCC1	879648793	DXALRWGLFGHWFD-KGLIPLIRSA-N	304.434	3.128	10	20	DGCD	
CN(C(=O)[C@@H]1SCCc2sccc21)c1ccc(N)cc1	877078010	YXMIFNBDIOONLO-CQSZACIVSA-N	304.440	3.324	10	20	DGCD	
OC1CCN(c2ccc(CN3C[C@H]4CC=CC[C@H]4C3)cc2)CC1	877718907	YBIDENYKOXGFEI-HDICACEKSA-N	312.457	3.046	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cccc(Cl)c1O	779432189	NLCKCGIOSRQTPV-MLGOLLRUSA-N	311.809	3.257	10	20	DGCD	
C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1	779499604	NNKDXTOKZJBZIN-AHAUYKDXSA-N	315.344	3.170	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)C[C@@H](C)O)c(C)n1-c1ccc(F)cc1	783631585	PYPLRKMJNFWPQV-DGCLKSJQSA-N	318.392	3.122	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](c2ccnn2C)C(C)C)c1	788257665	CHMYTBAECYOXCC-CJNGLKHVSA-N	317.433	3.225	10	20	DGCD	
COc1cc(C)cc(CN[C@H](Cn2ccnc2)C(C)(C)C)c1O	894199499	LCSFSSVZVJQAMV-MRXNPFEDSA-N	317.433	3.110	10	20	DGCD	
CCOc1ccc(CNCC(C)(C)CN2CCCC2)c(O)c1	791011080	MZJYKSUWPXAXSI-UHFFFAOYSA-N	306.450	3.003	10	20	DGCD	
C[C@H](NC[C@@H](CO)CC1CCCC1)c1cc([N+](=O)[O-])ccc1O	798937659	NQOKREGYVSCXTF-JSGCOSHPSA-N	322.405	3.140	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCCC[C@@H](C)O	795465249	PYWGNQNUHCJLQA-CYBMUJFWSA-N	307.415	3.473	10	20	DGCD	
O=C(CC1CCSCC1)Nc1c(Cl)ccc2nonc12	1327167981	VLAJLGNMMIQBLP-UHFFFAOYSA-N	311.794	3.348	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1	1353261973	TYIWJHRFWWPVRA-HLLBOEOZSA-N	301.434	3.427	10	20	DGCD	
Cc1cc(CN2C[C@H]3CCCC[C@@]3(C(=O)O)C2)ccc1N(C)C	1607641513	INBXBLCNVKKKRT-VQIMIIECSA-N	316.445	3.138	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1c([N+](=O)[O-])cnc(C)c1C	1597772194	NWNMRFYRDCWROY-UHFFFAOYSA-N	320.301	3.039	10	20	DGCD	
CSc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1	128639822	ODWQZQHXZNMQPF-UHFFFAOYSA-N	318.398	3.184	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1F	183599510	RLRUDXLGYKRIOI-VIFPVBQESA-N	306.293	3.188	10	20	DGCD	
CN(C)c1ccc(CNCc2nccn2-c2ccccc2)cc1F	190907424	WURZFMRHJVJCSN-UHFFFAOYSA-N	324.403	3.367	10	20	DGCD	
Cc1ccc(O)c(CNC[C@H](NC(=O)OC(C)(C)C)C2CC2)c1	133704726	RNLOVCSIMOOURO-HNNXBMFYSA-N	320.433	3.094	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](c2cccs2)N(C)C)c1	192940813	FSJUNPIHUIHQTM-WFASDCNBSA-N	320.458	3.416	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ncccc2C(F)(F)F)cc1	92216587	LUCFJKWGDULCIP-UHFFFAOYSA-N	323.318	3.096	10	20	DGCD	
COc1cccc([C@@H](CNCc2cc(F)ccc2O)OC)c1	529640725	XOTKYYKEXBGCKP-QGZVFWFLSA-N	305.349	3.017	10	20	DGCD	
CCC1CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1	457298447	JBAXRNSQHGPVBM-UHFFFAOYSA-N	314.429	3.387	10	20	DGCD	
COC1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCC1	272992681	SWKYVRKRKOYROZ-UHFFFAOYSA-N	316.445	3.204	10	20	DGCD	
Cc1cc(=NC(=O)NCc2c(C)c3ccccc3n2C)c(C)c[nH]1	548746826	VRHOVTTWGVTVDE-UHFFFAOYSA-N	322.412	3.242	10	20	DGCD	
COCCC(C)(C)CNC1CCN(c2ccc(OC)cc2)CC1	373527890	FYISHLKZGFUORG-UHFFFAOYSA-N	320.477	3.316	10	20	DGCD	
COCc1nc(CN[C@@H](C)c2cc(Cl)ccc2O)cs1	289776660	MKZMWNCULIXNCC-VIFPVBQESA-N	312.822	3.499	10	20	DGCD	
Cn1nc([C@H]2CCCOC2)cc1NCc1c(O)cccc1Cl	280120678	PMOQVXGSMGSRJE-NSHDSACASA-N	321.808	3.285	10	20	DGCD	
Cc1c(CN[C@@H]2CCN(C)[C@@H]3CCC[C@@H]23)n(C)c2ccccc12	556877848	MRHVJSUCSNTFAD-RCCFBDPRSA-N	311.473	3.449	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c(O)c1	809758690	TXVYTQMQRBFDGZ-HOTGVXAUSA-N	319.445	3.430	10	20	DGCD	
Cc1nccn1CCCN(C)Cc1c(O)ccc(Cl)c1F	809753516	VFGCBCAGEZXWBZ-UHFFFAOYSA-N	311.788	3.212	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ncnn2C(C)(C)C)c(O)c1C	800501150	YFKNRCHIFAKLSJ-CYBMUJFWSA-N	302.422	3.206	10	20	DGCD	
CN(CCc1cncn1C)Cc1ccc(N2CCCCC2)cc1	297569089	CSSHXHCJCPJGRL-UHFFFAOYSA-N	312.461	3.085	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CC4(CCOC4)C3)c2C)c1	819385024	XKARESJEFCQHRW-UHFFFAOYSA-N	324.424	3.265	10	20	DGCD	
COc1ccccc1/C(C)=C\C(=O)NCc1ccc(N(C)C)cc1	727295836	AJISGLLJISSIFI-SQFISAMPSA-N	324.424	3.481	10	20	DGCD	
OC[C@H](CNCc1cc(Cl)c(F)cc1O)CC1CCCC1	816598778	PPQIYILWLNOYLW-LBPRGKRZSA-N	315.816	3.463	10	20	DGCD	
O=C(c1cccc2c1CCNC2)N1CCc2ccc(Cl)cc21	662548506	GVNHWKHWBJLAKD-UHFFFAOYSA-N	312.800	3.189	10	20	DGCD	
Cc1cc(C(=O)CN2CC=CCC2)c(C)n1-c1ccc(F)cn1	828742022	ARZTYVYUQQVWMR-UHFFFAOYSA-N	313.376	3.073	10	20	DGCD	
CCOCCN(CC)C(=O)NCc1ccc(N(CC)CC)cc1	730901180	AJZNNSWFCLQJBB-UHFFFAOYSA-N	321.465	3.101	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cc(C(=O)O)sc2C)c1	833733996	YIUROMPXIHWOOS-VIFPVBQESA-N	321.398	3.320	10	20	DGCD	
COc1cccc([C@H](C)NCc2c(C)nc3ccccn23)c1O	903420876	DTRTVUBCNQAWCC-LBPRGKRZSA-N	311.385	3.208	10	20	DGCD	
CCCN1Cc2cccc(NC(=O)c3cc(O)cs3)c2C1	732283797	DTSGGKNPSTUJRH-UHFFFAOYSA-N	302.399	3.432	10	20	DGCD	
COc1ccc(N(CC(=O)N2CCCC[C@H]2C)C(C)C)cc1F	746667065	UWIYGAMZRSNEPX-CQSZACIVSA-N	322.424	3.450	10	20	DGCD	
Nc1ccc(CN2CCCc3cc(OC(F)F)ccc32)cn1	843070525	VENFVOKIIHFWBW-UHFFFAOYSA-N	305.328	3.218	10	20	DGCD	
C[C@H](N[C@@H]1CCN(CC(F)F)C1)c1ccc(Cl)cc1O	841763095	URXBLBIFPOZPKF-GXSJLCMTSA-N	304.768	3.036	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@@H](C1CCC1)C1CC1	845250995	JBBTXUOUTFPTEL-HNNXBMFYSA-N	308.809	3.424	10	20	DGCD	
C[C@@H](NCc1cc(Cl)ccc1O)[C@@H](O)c1cccc(F)c1	749116836	MAEMWPQHFVDUOT-QLJPJBMISA-N	309.768	3.396	10	20	DGCD	
CC(C)c1ccc(CCC(=O)NCc2ccc(O)cc2O)cc1	910952247	UHTBRTCKSGDWTK-UHFFFAOYSA-N	313.397	3.470	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](C)[C@@H]1C	842177514	IBDBTHBVSZMQMX-JHJVBQTASA-N	307.413	3.078	10	20	DGCD	
CCCCN1CC(=O)N[C@@H]1c1cc(-c2ccccc2)ccc1O	749699680	HWFZPGSBBOJZFA-IBGZPJMESA-N	310.397	3.290	10	20	DGCD	
COCCOCc1ccc(CN(C)c2ccc(OC)cc2)cc1	845997932	FQJJDDNSOVLWIL-UHFFFAOYSA-N	315.413	3.495	10	20	DGCD	
CCc1cccc(C(=O)NCCCSc2nccs2)c1O	748038919	BKXDUGKFUSLXTC-UHFFFAOYSA-N	322.455	3.323	10	20	DGCD	
COc1ccc(N(C)CCN(C)CCc2scnc2C)cc1	844400933	INCQWZRXZRJBPE-UHFFFAOYSA-N	319.474	3.071	10	20	DGCD	
CC[C@H](NCc1ccccc1S(C)(=O)=O)c1ccccc1O	840867790	WMALQZQONCOMSV-HNNXBMFYSA-N	319.426	3.037	10	20	DGCD	
CCN(C[C@H](CN)c1ccc(OC)cc1)c1ccc(OC)cc1	842471745	WUFQVNSZJSNZSQ-INIZCTEOSA-N	314.429	3.273	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccnn1CC(C)C	843819415	CGILJHMVJXFYOH-UHFFFAOYSA-N	315.417	3.297	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](C)C2CC2)cc1	920053906	KIHAOFSQPMBDAW-AWEZNQCLSA-N	303.450	3.378	10	20	DGCD	
CC[C@H](C)n1nc(-c2nc(Cc3ccc(N)cc3)no2)cc1C	843160655	ZKTMOURXUAKCIP-NSHDSACASA-N	311.389	3.386	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nc1	753047528	YXRVKYLYOQEURV-UHFFFAOYSA-N	309.413	3.261	10	20	DGCD	
CCOc1ccc(CNCC2CCN(CC3CC3)CC2)c(O)c1	850420364	NFGOVYRUUWQBKI-UHFFFAOYSA-N	318.461	3.003	10	20	DGCD	
FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1nncs1	929878043	ORNZXOQBYYKOME-UHFFFAOYSA-N	315.320	3.390	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@@]2(C)C(=O)O)cc1F	756390271	TZPAZKZSFXQVBE-FUHWJXTLSA-N	322.424	3.405	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1scnc1Cl	857547511	HYIMLZUUHOMJJN-UHFFFAOYSA-N	303.170	3.086	10	20	DGCD	
CC[C@@H](NC[C@H]1C[C@@H](O)C1)c1ccc(C(F)(F)F)cc1O	858543345	ICLWJCONBGQJSC-SUZMYJTESA-N	303.324	3.223	10	20	DGCD	
COCCC1(CNC(=O)NCc2cc(C)ccc2O)CCCC1	858298926	ZQBVGQHBQQMAQS-UHFFFAOYSA-N	320.433	3.097	10	20	DGCD	
O=Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cs1	754979517	AVEAKSOGSKGBKG-UHFFFAOYSA-N	314.410	3.091	10	20	DGCD	
Cc1ccc(C(C)(C)CNCc2cc([N+](=O)[O-])ccc2O)nc1	858241881	IFOXAIKHDRJNDT-UHFFFAOYSA-N	315.373	3.071	10	20	DGCD	
CCC1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCC1	751246392	OZOYPSOHIVIMOG-OAHLLOKOSA-N	316.445	3.281	10	20	DGCD	
COc1c(Br)cccc1CNCc1ccccc1O	752266259	OCSZXTRGNBHCAL-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
Cc1cnc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)nc1	764391624	IFOSABWMMBLIOH-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc2c(c1)COC2	1117546976	DMYCBFRDGIOOJV-UHFFFAOYSA-N	315.716	3.159	10	20	DGCD	
Cc1noc(C(F)F)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773018752	ZXYHPRUUVSXMCG-VIFPVBQESA-N	323.343	3.478	10	20	DGCD	
C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1c(O)cccc1F	886522371	HWTJXSLPSYJTFL-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
CO[C@@]1(C(F)(F)F)CCCN(Cc2cc(F)ccc2O)C1	783717095	HWSJIEVPCZGXIW-ZDUSSCGKSA-N	307.287	3.075	10	20	DGCD	
CCOC(=O)c1ccccc1N(C)C(=O)/C=C\c1cnccc1C	783959837	ROQIOQIHFGXFKG-KTKRTIGZSA-N	324.380	3.243	10	20	DGCD	
CC(=O)[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1(C)C	781035665	GMDOGDQEQNLABP-OAUYIBNBSA-N	316.445	3.181	10	20	DGCD	
C[C@H](NCc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C1	272183378	KNSVTZPQIHCRBO-LPHOPBHVSA-N	310.441	3.392	10	20	DGCD	
C[C@@H](NC(=O)N1CCC=C(Cl)C1)c1ccc(N(C)C)cc1	894285098	JAHPDBFLJXQLMW-GFCCVEGCSA-N	307.825	3.352	10	20	DGCD	
CCOC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1	790968804	OOLRVOVUESLMRW-CQSZACIVSA-N	304.434	3.279	10	20	DGCD	
Cc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)on1	793044168	FMYHZFWBJUHLSX-UHFFFAOYSA-N	313.323	3.358	10	20	DGCD	
CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccc(OC)c(C)c1	1087105118	NDPSSNKOYVJOEM-PBHICJAKSA-N	318.461	3.130	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cc1F	1328739797	DEQNFNLLEQXWLO-KFKAGJAMSA-N	324.399	3.094	10	20	DGCD	
C[C@H]1C[C@H](CCNCc2cc(F)c(N(C)C)cc2F)CCO1	1329009168	PMNNEACBJWAEQD-QWHCGFSZSA-N	312.404	3.326	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(C(F)F)c1	1320833798	SWCRQZDQXMMRHN-ALCCZGGFSA-N	319.307	3.365	10	20	DGCD	
Cc1ccccc1C1(C(=O)NCc2cccc(O)c2O)CCC1	1352658300	RNFMSYMATCCPAR-UHFFFAOYSA-N	311.381	3.144	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)c1cc(C(=O)O)co1	1593297889	BPMNDRCSUKLKGM-ZDUSSCGKSA-N	314.385	3.429	10	20	DGCD	
CCN(C)c1ccc(CN2CC(C)(C)C[C@@H]2CC(=O)O)cc1	1776855510	HLOAQJPNIULUMR-INIZCTEOSA-N	304.434	3.218	10	20	DGCD	
Cc1nccn1CCCCN[C@@H](C)c1ccc(N(C)C)cc1	164616049	SBEIMSPLOCYLSE-HNNXBMFYSA-N	300.450	3.389	10	20	DGCD	
CC[C@@H](N[C@@H]1CCC[C@H]1O)c1cc(Br)ccc1O	834916198	WFPQHQSIFIYBKO-YRGRVCCFSA-N	314.223	3.109	10	20	DGCD	
CCn1cc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cn1	101960244	VTOJNQUJVOWGLX-SDQBBNPISA-N	319.411	3.210	10	20	DGCD	
CCCCCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1	56371674	OIZXNCSKNJNCNA-UHFFFAOYSA-N	319.449	3.107	10	20	DGCD	
C[C@H](NCCN1CCc2sccc2C1)c1ccc(F)cc1O	185104771	IXUKQWCSEWJBTF-LBPRGKRZSA-N	320.433	3.302	10	20	DGCD	
CC(C)C[C@H](CO)N[C@@H](C)c1cc(Br)ccc1O	185113932	GGWDKUDIBCJICU-CMPLNLGQSA-N	316.239	3.212	10	20	DGCD	
CN1CCCc2cc(CNC(=O)/C=C/c3cccc(O)c3)ccc21	183511511	XQWWKZIBNNRWQT-CSKARUKUSA-N	322.408	3.104	10	20	DGCD	
C[C@@H](Nc1ncccc1F)c1ccc(N2CCOCC2)cc1	84484955	CTNLAFPUDQPOFR-CYBMUJFWSA-N	301.365	3.230	10	20	DGCD	
CSc1nc2ncnc(N(C)Cc3ccccc3O)c2s1	92689336	SHLWTBKAIQBNQC-UHFFFAOYSA-N	318.427	3.150	10	20	DGCD	
Oc1ccc(Br)cc1CN1CCC(CF)CC1	295039761	MMUUUJSJDSIQSS-UHFFFAOYSA-N	302.187	3.336	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	253352175	NIWMHTPQCKCTHB-TZTCFGBESA-N	311.784	3.232	10	20	DGCD	
COCCC(C)(C)NC(=O)NCc1c(C)c2ccccc2n1C	350060059	NPYDWTSRSDUATD-UHFFFAOYSA-N	317.433	3.101	10	20	DGCD	
CC(C)[C@H](NC(=O)Cc1ccc(N)cc1)c1nc2ccccc2[nH]1	262652317	VUMMJGXTSNBZOE-SFHVURJKSA-N	322.412	3.201	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1[C@H]2C=CC[C@H]1CC2	366640718	UIOPGJBZHXYJTL-ROUUACIJSA-N	309.413	3.065	10	20	DGCD	
CC[C@@H]1CCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	450045135	FTLUHEPAOWFSDP-UKRRQHHQSA-N	302.418	3.304	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)c1ncnn1C	276539317	DIOSSHGKDBYAFR-CABCVRRESA-N	313.449	3.217	10	20	DGCD	
CSC[C@H](C)NC(=O)NCc1c(C)c2ccccc2n1C	471891779	BTDIIOFTPWMPIE-NSHDSACASA-N	305.447	3.037	10	20	DGCD	
COC(=O)c1cnc(S[C@@H](C)c2nc(C(C)C)no2)s1	295414077	XOSYSKULDTXUOY-ZETCQYMHSA-N	313.404	3.289	10	20	DGCD	
CCOc1cncc(NCc2cc(Cl)cc(Cl)c2O)n1	808088153	BGGLDVBWMDHXQQ-UHFFFAOYSA-N	314.172	3.500	10	20	DGCD	
CN(C)C[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1	297470470	YPFINBHKLJVGAA-SJORKVTESA-N	314.404	3.411	10	20	DGCD	
Cc1cc(CN(C)C[C@@H](O)Cc2ccccc2)ccc1N(C)C	815121337	KYIZKHFHVICDHM-IBGZPJMESA-N	312.457	3.096	10	20	DGCD	
COc1ccncc1CN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	815629235	XSXQTWKWHNJKTA-GXFFZTMASA-N	302.349	3.273	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CC[C@H](C)CC	819698359	LJLLEKKDEUZVRK-CQSZACIVSA-N	321.417	3.110	10	20	DGCD	
COCC1(NCc2ccc(Br)cc2O)CCCC1	826834797	XKLPEODQPJNGAR-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
CN1CCCc2cc(CNC[C@H](O)c3cccc(F)c3)ccc21	727645085	YHBXBMKMVMVARY-IBGZPJMESA-N	314.404	3.031	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cnc2n1CCC2	824566454	KIEKFVUFLPLKHJ-UHFFFAOYSA-N	312.461	3.306	10	20	DGCD	
CN(C)c1ccc(CN(Cc2nc(C(F)F)no2)C2CC2)cc1	822583424	NRFSMHOAIVFGRH-UHFFFAOYSA-N	322.359	3.238	10	20	DGCD	
COc1cc(CN2C[C@H](C)C[C@@H](CO)C2)c(O)c(C(C)(C)C)c1	826130833	MIHNJLWHRZOLOM-ZIAGYGMSSA-N	321.461	3.149	10	20	DGCD	
CC(C)COc1cccc(CNC(=O)c2cc(O)cs2)c1	732278166	USZLVGGEEGQDCQ-UHFFFAOYSA-N	305.399	3.419	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@H](C)c2cc(F)ccc2O)cc1C	834912274	CAFPKHXCJZJQMZ-RHSMWYFYSA-N	317.404	3.402	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@@H](C)C1	734526790	UHRJQHIYZFUYSC-CZUORRHYSA-N	303.450	3.439	10	20	DGCD	
COc1ccc(N(Cc2ccco2)C[C@@H]2CCOC2)cc1F	739926061	HKGWDHUNONAPJK-ZDUSSCGKSA-N	305.349	3.470	10	20	DGCD	
CC[C@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)c(F)c1	733100292	TYACUPCNUDCPIK-KRWDZBQOSA-N	322.424	3.246	10	20	DGCD	
COc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)cc1	746963843	WOKNIQJQACXTJO-CYBMUJFWSA-N	314.385	3.303	10	20	DGCD	
CC(C)(C)OC(=O)[C@H](C(=O)NCc1ccccc1O)C(C)(C)C	830526393	LCAORPODIIJZER-AWEZNQCLSA-N	321.417	3.012	10	20	DGCD	
CC[C@H](CNCc1cc([N+](=O)[O-])ccc1O)CC(F)(F)F	840960612	PZSYHFXPCHBUSI-VIFPVBQESA-N	306.284	3.369	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)Cc2ccc3c(c2)OCCO3)c1	915831911	AIJVTPUDTPHGGS-UHFFFAOYSA-N	313.397	3.412	10	20	DGCD	
CC1CCN(c2ccc(CNC(=S)NCC3CC3)cc2)CC1	849258468	ONDAXXLTXPMGQS-UHFFFAOYSA-N	317.502	3.297	10	20	DGCD	
C[C@H]1CCCCN1CCCCNC(=O)Nc1ccc(N)cc1	841301891	HQUSJZPDLMMSKJ-AWEZNQCLSA-N	304.438	3.045	10	20	DGCD	
Cc1ccccc1[C@@H]1CN(C(=O)c2cc(O)cs2)[C@H](C)CO1	743710840	WKRCMZVWOROPEC-DOMZBBRYSA-N	317.410	3.364	10	20	DGCD	
CCN1C[C@H](CN[C@H](C)c2ccc3ccccc3c2O)CC1=O	846209999	VFWNSIZUCXRGIQ-KGLIPLIRSA-N	312.413	3.064	10	20	DGCD	
Cc1cc(CN2CC[C@](C)(C(=O)O)C2)ccc1N1CCCCC1	846275083	MQBUSXMAKJLJHV-IBGZPJMESA-N	316.445	3.282	10	20	DGCD	
CCC[C@](C)(CO)NCc1cc(OC)cc(C(C)(C)C)c1O	850139422	OPWIUDFUOATDQU-GOSISDBHSA-N	309.450	3.339	10	20	DGCD	
C[C@@H](N[C@@H]1CCSC1)c1cc(Br)c(F)cc1O	756734144	UXXAKLGRPUTGIZ-HTQZYQBOSA-N	320.227	3.450	10	20	DGCD	
O=C(Cc1ccc(F)c(F)c1)NCc1cc(Cl)ccc1O	857547692	PSVHUQFVMWFULX-UHFFFAOYSA-N	311.715	3.183	10	20	DGCD	
COC(=O)c1ccc(CN2CCCc3cc(OC)ccc32)s1	757804927	SXQWPFXGRJVLGM-UHFFFAOYSA-N	317.410	3.496	10	20	DGCD	
FCCn1cc(NCc2ccc(N3CCCCC3)cc2)cn1	858245414	GUYYWYMXWPXSGB-UHFFFAOYSA-N	302.397	3.455	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c1	858147928	DWWFATQLFPVJOK-DOMZBBRYSA-N	314.385	3.416	10	20	DGCD	
COC[C@H](N[C@H](C)c1cc(Br)ccc1O)C(C)C	756596921	ILYJRTJVICHDGC-MFKMUULPSA-N	316.239	3.476	10	20	DGCD	
CCOC(=O)CCN(Cc1c(O)cccc1Cl)CC1CC1	769122063	KSYFKTUSISQFDA-UHFFFAOYSA-N	311.809	3.211	10	20	DGCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc[nH]1	760346078	IRNRYPFSUIWUPW-GFCCVEGCSA-N	313.401	3.160	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cn1nccc1-c1ccncc1	766341942	UZXRJDCTSDHOBQ-UHFFFAOYSA-N	320.396	3.364	10	20	DGCD	
CCOC(=O)[C@@H](NCc1ccc(N(CC)CC)c(F)c1)C1CC1	1116755940	XXXJGPXXCWRPHD-KRWDZBQOSA-N	322.424	3.103	10	20	DGCD	
CCCOc1ccc(CNCCc2nnc(C)s2)cc1C	873127023	GPCUDYLPVDBKOP-UHFFFAOYSA-N	305.447	3.276	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cnn(C)c1-c1ccccc1	775543328	VLTAEQBHVIQUDW-UHFFFAOYSA-N	321.380	3.065	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccn(-c3ccccc3)n2)SC1=S	773153637	VUHDQBQFNASNCB-JLHYYAGUSA-N	315.423	3.093	10	20	DGCD	
C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1O	879649048	KGBLEZVXVGOMHO-GFCCVEGCSA-N	302.330	3.030	10	20	DGCD	
CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	779875584	ZZSMBTIWHMUNDI-JYJNAYRXSA-N	318.461	3.383	10	20	DGCD	
CC(C)(C)N1CCCN(Cc2cc(Cl)cc(F)c2O)CC1	775665273	KBGUEPFEKLXICB-UHFFFAOYSA-N	314.832	3.491	10	20	DGCD	
C[C@H](N[C@H](C)CNC(=O)OC(C)(C)C)c1c(O)cccc1F	886592577	XNZMRRNJLJKNKL-MNOVXSKESA-N	312.385	3.095	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=S)NC2(C)CC2)cc1	789176786	CBGBJHSTGDHPAW-UHFFFAOYSA-N	305.491	3.392	10	20	DGCD	
COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2OC)cc1F	797519148	WWVOLCWDTKTGMZ-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
O=C(NCc1ccccc1O)c1c(F)cccc1Br	88348254	RFPDWJDFLCRCTG-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
CCc1c(Cl)nc(C)nc1NCc1ccc(OC)cc1O	795286042	YKJSUUCOIAXHSG-UHFFFAOYSA-N	307.781	3.327	10	20	DGCD	
CCCC[C@H](CC)CNC(=O)NCc1ccc(OC)cc1O	792761865	IPYAIYVZSJIXCH-ZDUSSCGKSA-N	308.422	3.416	10	20	DGCD	
CC[C@@H](NC[C@]1(N(C)C)CCSC1)c1ccc(F)cc1O	796790818	WABREGQLBSQYHV-GDBMZVCRSA-N	312.454	3.009	10	20	DGCD	
CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(N(CC)CC)cc1	793107708	PVOPVKJLTLAIAP-PBHICJAKSA-N	306.450	3.210	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H](C)NC(=O)OC(C)(C)C)c1	192684017	GJDQTORADVOZTP-CHWSQXEVSA-N	308.422	3.264	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CCC3(CCCCC3)O2)c1	790995337	NQBOYHQXZUPFNY-HNNXBMFYSA-N	320.389	3.272	10	20	DGCD	
COc1ccc(C)cc1C(=O)CSc1ncc(C(=O)O)s1	1599534471	QPFADOIYTAUIPP-UHFFFAOYSA-N	323.395	3.133	10	20	DGCD	
C[C@H]1CCC[C@](NCc2ccc3c(c2)CCCO3)(C(=O)O)C1	1776633943	HLCYBRUENSPGAP-SCLBCKFNSA-N	303.402	3.135	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](C(=O)O)c3ccsc3)ccc21	1776884689	JPOKJLXOXHBMOP-MRXNPFEDSA-N	316.426	3.046	10	20	DGCD	
CCCOc1ccc(CN[C@H](COC(C)(C)C)C(=O)O)cc1C	1776822058	APGDDLDPUIEAAW-OAHLLOKOSA-N	323.433	3.142	10	20	DGCD	
CCCNC(=O)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1	158351281	XAYGFBTXXSRDLO-INIZCTEOSA-N	317.477	3.244	10	20	DGCD	
CCOc1ccc(O)c(CN(CCOC)Cc2ccccc2)c1	160451312	NKWKQECUCIRUAY-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H](C)[C@@H]3CCOC3)cc2)CC1	157497620	OGBBHVMRNPCBHD-SJLPKXTDSA-N	302.462	3.438	10	20	DGCD	
CC(C)c1ccsc1C(=O)NCCc1ccc(O)c(O)c1	156664799	GCOIVALWVDPHCQ-UHFFFAOYSA-N	305.399	3.255	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(Br)cc2O)[C@@H](C)CO1	701194740	WJGYQVMVLJUBST-GWCFXTLKSA-N	314.223	3.154	10	20	DGCD	
C[C@@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1O	903238948	CDYCWWUSRCEWIU-LLVKDONJSA-N	324.396	3.239	10	20	DGCD	
Cc1oc(Br)cc1C(=O)N(C)c1ccc(N)cc1	396463208	DXGMKQHCMAPLKT-UHFFFAOYSA-N	309.163	3.209	10	20	DGCD	
C[C@H](NCCCC(=O)N(C)C)c1ccc(N2CCCCC2)cc1	177988173	KQGCUSVLXXPFFK-INIZCTEOSA-N	317.477	3.196	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C(C)C)[nH]n1	66096296	LUJFEKYOTIVDBK-UHFFFAOYSA-N	301.390	3.291	10	20	DGCD	
Cc1nc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)s1	28333204	UFFXXGIHRVTVOL-UHFFFAOYSA-N	315.442	3.290	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C[S@](C)=O)c2ccccc2)cc1C	182107687	VVDVMTDZKVEYRT-VGSWGCGISA-N	317.454	3.218	10	20	DGCD	
COc1c(F)cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F	180685837	HDPOLICNSSZVER-HWKANZROSA-N	321.279	3.037	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc(F)ccc1O	186326758	YXKNVSCPNQTNGN-JTQLQIEISA-N	316.332	3.060	10	20	DGCD	
COc1cccc(CNC(=O)NC2C[C@H](C)C[C@@H](C)C2)c1O	74384649	OAXSJPPVFHEHKP-VXGBXAGGSA-N	306.406	3.025	10	20	DGCD	
C[C@H](NCC(F)(F)CO)c1ccc(N2CCCCC2)c(F)c1	184689010	WVKBQHUTELAKGB-LBPRGKRZSA-N	316.367	3.094	10	20	DGCD	
C[C@@H](CN1CCCC1=O)N[C@@H](C)c1ccc2ccccc2c1O	193918228	QTZYUANMHPZPBF-KBPBESRZSA-N	312.413	3.207	10	20	DGCD	
CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	236885335	RAFXTGJTBSUHOB-QAPCUYQASA-N	317.477	3.009	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(C)c(NC(C)=O)c2)c1	237206993	UZKCWLPTCTXFOU-UHFFFAOYSA-N	300.358	3.280	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC3(CCC3)CC2)c1O	368038385	OXCUOLCZZMVCCN-UHFFFAOYSA-N	306.362	3.075	10	20	DGCD	
CCCn1ccnc1CCCN(C)Cc1cc(F)ccc1O	290328798	DNWDSHQYTLRBDL-UHFFFAOYSA-N	305.397	3.202	10	20	DGCD	
Cc1ccsc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F	808115427	CMHSSVYIORBZAF-UHFFFAOYSA-N	321.782	3.355	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNCC2CC(F)(F)C2)c1O	291630762	AMSSRLWJIHPUAK-UHFFFAOYSA-N	306.696	3.089	10	20	DGCD	
Cc1noc2nc(C(C)C)cc(C(=O)NCc3ccc(N)cc3)c12	297193311	LZJLZUWIFOIPED-UHFFFAOYSA-N	324.384	3.167	10	20	DGCD	
O=C1CCC(CN(Cc2ccccc2O)C[C@H]2CCCO2)CC1	290069095	PXGJSSHRRJRLPY-GOSISDBHSA-N	317.429	3.133	10	20	DGCD	
C[C@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(Cl)c(Cl)c1O	817976524	NAXSHGUDQSWEHR-CIUDSAMLSA-N	307.196	3.050	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCN2C[C@H](C)O[C@@H](C)C2)c(O)c1	815556476	WBJMNYLUBUNRJI-ULQDDVLXSA-N	320.477	3.159	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cc(F)ccc1F	817938708	QRYXASOMJKFDNM-KZULUSFZSA-N	319.399	3.381	10	20	DGCD	
CC[C@H](O)CN[C@H](C)c1cc(Br)cc(Cl)c1O	813883298	CCIPYUOIGDMHHN-APPZFPTMSA-N	322.630	3.230	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(N(C)C)c(C)c1	815075463	BNJUAYWCSXMSIQ-APWZRJJASA-N	318.461	3.273	10	20	DGCD	
C[C@H](NC(=O)N[C@H]1CCS[C@H]1C)c1ccc(N(C)C)cc1	826532601	WJIMSYFMCWUCHN-HUBLWGQQSA-N	307.463	3.007	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C(C)C)N(C)C)cc1	730273326	PXJBKZISXDCWCU-SFHVURJKSA-N	319.493	3.077	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)CCC2	734406547	UVLGETJRLPUCNE-UHFFFAOYSA-N	308.425	3.480	10	20	DGCD	
COc1ccc([C@@H]2CCN(C(=O)c3cc(O)cs3)C2)cc1	732280991	LYSUICUIEGNZAK-GFCCVEGCSA-N	303.383	3.092	10	20	DGCD	
CC(C)(C(=O)O)[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1	833420425	ROMWRYLSHMLUSA-INIZCTEOSA-N	317.429	3.204	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CC[C@H](C2CCC2)CC1	910943239	LGPWQKOJDZBMQZ-HDJSIYSDSA-N	303.402	3.321	10	20	DGCD	
COc1cccc(O)c1CNCCc1nc2c(C)cccc2o1	742710057	DXAUMDSCMWMWCO-UHFFFAOYSA-N	312.369	3.183	10	20	DGCD	
CCO[C@H]1C[C@@H](NC(=O)c2cc(O)cs2)C12CCCCC2	748339395	NKVDHRUSEKSYFL-KGLIPLIRSA-N	309.431	3.311	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(CCCCNC(=O)Nc2ccc(N)cc2)C1	841302081	LCUSNDOIHXRPQF-GASCZTMLSA-N	318.465	3.148	10	20	DGCD	
COc1cc(C)cc(NC(=O)NCCc2ccc(N)cc2)c1C	841218865	WFFMPKMRAIHNLV-UHFFFAOYSA-N	313.401	3.258	10	20	DGCD	
C[C@@]1(CCNC(=O)Nc2ccc(N)cc2)CC1(Cl)Cl	841297133	APASZHNJDRVMKU-GFCCVEGCSA-N	302.205	3.364	10	20	DGCD	
COc1cc(Br)cc(CNC2(C)CC=CC2)c1O	848560735	JYRCQUNUHFCAEY-UHFFFAOYSA-N	312.207	3.362	10	20	DGCD	
CN(C)c1ccc(CN2CCNC[C@H]2c2cccc(F)c2)cc1	843116975	JCWDASQFJHIKDJ-IBGZPJMESA-N	313.420	3.038	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1nncs1	929183561	BKVLTLUNVOZMPB-UHFFFAOYSA-N	302.447	3.160	10	20	DGCD	
Cc1cc(C(=O)NCc2cc(Cl)ccc2O)nn1C(C)(C)C	846472958	ODXAFBSYMSHEFZ-UHFFFAOYSA-N	321.808	3.236	10	20	DGCD	
C[C@@H]1CN(Cc2c(O)ccc3ccncc23)CC2(CCCC2)O1	842644660	HBXXMIJJAALQPY-CQSZACIVSA-N	312.413	3.474	10	20	DGCD	
O=[N+]([O-])c1cc(CN[C@H]2C=CCC2)ccc1N1CCCCC1	850358063	FPEFGNALWZSKDP-HNNXBMFYSA-N	301.390	3.393	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(N(C)C)cc1	850503126	ULOSYEHWYMGLSQ-YDGKCNFYSA-N	322.518	3.483	10	20	DGCD	
CN1CCc2cc(/C=C\c3ncc(/C=C\C(=O)O)s3)ccc21	751534105	GYJFFFGSCQAJTP-VKOMYYDGSA-N	312.394	3.404	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cnn(C(C)(C)C)c2)c1	756857387	WKSKBMZQCLLCPM-LLVKDONJSA-N	317.389	3.303	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(F)cc(F)c1O	850500815	GOUKJJDWISMHAW-HGKUSOMCSA-N	317.401	3.011	10	20	DGCD	
COc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1F	858092020	LVLVVQQCHRKIAM-UHFFFAOYSA-N	324.346	3.468	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CN(C)C1CCC1	863912541	IVUPSRXUHJUGQE-UHFFFAOYSA-N	304.434	3.005	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC3(CCCCC3)C2)cc1F	760992173	RBKNXXGYOXPVAE-UHFFFAOYSA-N	319.424	3.367	10	20	DGCD	
CC[C@@H](NCc1cccc(OC)c1O)[C@@H](O)c1ccccc1	873192400	ATCQPWVAUFYZSH-WBVHZDCISA-N	301.386	3.003	10	20	DGCD	
Cc1ccccc1CNC(=O)[C@@H](C)N[C@H](C)c1ccccc1O	879649752	UCFNYDQDEGDIJY-HUUCEWRRSA-N	312.413	3.056	10	20	DGCD	
Cc1cccc2c1C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N2	876872945	QZFSNWUIBJFGBY-LJQANCHMSA-N	323.440	3.056	10	20	DGCD	
CN1CCN(c2ccc(CNC3(c4ccccc4)CC3)cc2)CC1	771848361	QHIUWPGNRLWKPU-UHFFFAOYSA-N	321.468	3.217	10	20	DGCD	
C[C@@H](NCCC(=O)NC1CCCCC1)c1c(O)cccc1F	886508550	DPHBTLTUURYHPR-GFCCVEGCSA-N	308.397	3.021	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(OC)cn2)cc1F	892947458	DCMWSCOHKIBBLX-UHFFFAOYSA-N	317.408	3.365	10	20	DGCD	
CCN(CC)CCN[C@@H](C)c1cccc(C(F)(F)F)c1O	798179946	UOABEKOWWBFZGX-NSHDSACASA-N	304.356	3.403	10	20	DGCD	
COc1ccc(CNC(=O)CCCc2cccs2)c(O)c1	794378286	RNUMEHQOEPGAPM-UHFFFAOYSA-N	305.399	3.101	10	20	DGCD	
CO[C@H]1CCC[C@@H](NCc2cccc(Br)c2O)C1	746756592	UVWZBMSDXILOKQ-NEPJUHHUSA-N	314.223	3.202	10	20	DGCD	
CC(C)[C@]1(CO)CCN(Cc2ccc(N3CCCC3)cc2)C1	1324199698	UYDLEIJPDLBIHJ-LJQANCHMSA-N	302.462	3.127	10	20	DGCD	
Cc1cc(C)nc(C(=O)Nc2c(Cl)ccc3nonc23)c1	1327168219	YXCBXPRZZKIJSF-UHFFFAOYSA-N	302.721	3.140	10	20	DGCD	
Cc1ccc(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1	1330601648	JLQURVQESIVHRO-SFHVURJKSA-N	324.424	3.095	10	20	DGCD	
CC[C@H](C)C[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)O	1594953323	NQJASHVYZWYLID-QPUJVOFHSA-N	303.761	3.164	10	20	DGCD	
COc1ccc(F)c(CN[C@H](C)c2cc(C(=O)O)ccc2O)c1	1599581583	VGUKCOMJNHBSBX-SNVBAGLBSA-N	319.332	3.089	10	20	DGCD	
C[C@H]1C[C@H](C)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1	158009652	DHHDRCNAFXYNKV-GJZGRUSLSA-N	306.425	3.140	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1F	158994223	XCOMCXKANVEXIE-NSHDSACASA-N	303.333	3.047	10	20	DGCD	
Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2C)s1	115656585	OMRFNWGZOSWXGR-UHFFFAOYSA-N	317.458	3.430	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)cn2)cc1	175817839	YTYOWHFXOVSLNO-UHFFFAOYSA-N	304.781	3.123	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Cc2ccccc2)c1	112115272	VQOPVUWWIQNAGJ-KBPBESRZSA-N	313.397	3.457	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1	67731825	LTDJXKRQGQMDIB-HZPDHXFCSA-N	314.360	3.229	10	20	DGCD	
CN(Cc1cscn1)Cc1cc(Br)ccc1O	120195899	PZUCJQNETZWXGW-UHFFFAOYSA-N	313.220	3.243	10	20	DGCD	
Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2cc(C)ccc2O)c1	185129447	YXORFANWWOHOKT-HOTGVXAUSA-N	315.413	3.100	10	20	DGCD	
C[C@@H](c1ccsc1)N1CCN(Cc2cc(F)ccc2O)CC1	184972194	GILWMCNODJYKED-ZDUSSCGKSA-N	320.433	3.472	10	20	DGCD	
C[C@@H](NCCCNC(=O)C1CCC1)c1cc(Cl)ccc1O	186091521	QKYKUFKIIDYWTH-LLVKDONJSA-N	310.825	3.003	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C1CCCC1	186424615	ADNXTILRYCSSSN-GFCCVEGCSA-N	305.418	3.361	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc(F)ccc2O)C1	180020575	MXECQFYRMNKPBQ-KBPBESRZSA-N	322.424	3.048	10	20	DGCD	
C[C@H](NCC1CCN(C)CC1)c1cc2c(cc1O)CCCC2	185359409	ULFLCHBTDTUFBH-AWEZNQCLSA-N	302.462	3.263	10	20	DGCD	
Cc1cc(NC(=O)c2cccc(O)c2O)ccc1N1CCCC1	192974953	ZYHXXYGUXQXWMU-UHFFFAOYSA-N	312.369	3.259	10	20	DGCD	
CN(CCCNCc1ccc2c(c1)CCO2)Cc1ccccc1	237089755	YSOLHAVCSOZJOP-UHFFFAOYSA-N	310.441	3.233	10	20	DGCD	
CCCN(CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1ccccc1O	247575827	SEXOQRJURNCEKB-HZPDHXFCSA-N	318.461	3.394	10	20	DGCD	
O=C1/C(=C\c2ccccn2)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2	249361239	AGXTXWJTLIWVMF-QRELSWMHSA-N	316.451	3.471	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)OCCO3)c1	273462717	QSILMWDKBZCZAE-NSHDSACASA-N	301.342	3.345	10	20	DGCD	
O=C(CC1CCCC1)N1CCCN(Cc2ccccc2O)CC1	378492081	GCKSKWIJSMZDMK-UHFFFAOYSA-N	316.445	3.007	10	20	DGCD	
C[C@@H](NCCC(C)(C)CO)c1cc(Br)ccc1O	296462462	NJBKGPQZQSENIC-SNVBAGLBSA-N	316.239	3.214	10	20	DGCD	
C[C@@H]1CCCN(CCCCN[C@@H]2CCc3cccc(O)c32)C1	295828952	DUXTXSUYVVCXKO-NVXWUHKLSA-N	302.462	3.481	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3ccc(F)cn3)C2)cc1	819934882	NCSUKWOKPJIMAG-ZDUSSCGKSA-N	301.365	3.168	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]1CN1CCCC1	816497898	YJOPLQQNURNTIY-CYBMUJFWSA-N	312.816	3.245	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2CCSc3ccccc32)cc1	818545058	DAJSFWZMKVOOLK-INIZCTEOSA-N	312.438	3.207	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2NCc1cc(Cl)c(F)cc1O	816550549	UQNPOYOTOCBQRP-CQSZACIVSA-N	321.783	3.450	10	20	DGCD	
CCOc1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c(O)c1	811521051	XVUCZSFUEDXTAP-CQSZACIVSA-N	321.808	3.088	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CN(C)C(C)C	812509824	LSQAXTDVZOJNBK-HNNXBMFYSA-N	321.465	3.043	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](CO)CC2)cc1F	816666798	WNVANJRMGIUVKA-HNNXBMFYSA-N	308.441	3.266	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](O)CNCc1cccc(Cl)c1O	827733791	OHOJNGWSMLSTKV-LRDDRELGSA-N	305.805	3.300	10	20	DGCD	
C[C@@H](NC(=O)CCN(C)C1CCCCC1)c1ccccc1O	827941163	OHSGJPOHDMEEOK-CQSZACIVSA-N	304.434	3.224	10	20	DGCD	
CC(=O)Nc1cccc2c1CCCN2C(=O)/C=C\c1cccnc1	491237136	ONZJLYNYZAECHN-KTKRTIGZSA-N	321.380	3.033	10	20	DGCD	
O=C(OCc1c(C(=O)O)oc2ccccc12)c1cc(O)cs1	738712629	LUWNJPCKUCLADI-UHFFFAOYSA-N	318.306	3.255	10	20	DGCD	
COc1ccc([C@H]2CCCN2C(=O)c2cc(O)cs2)cc1	732264084	NWFAFCGOGQPQCH-CQSZACIVSA-N	303.383	3.440	10	20	DGCD	
O=C(CCSc1ccccc1F)NCc1ccccc1O	734863770	WXARYZZBVYGQOZ-UHFFFAOYSA-N	305.374	3.330	10	20	DGCD	
CN(CCCCNCc1cc(Cl)cc(F)c1O)C1CC1	835063281	JLUAJYRIQZCKRU-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)C(C)(C)C)c1	734533600	JAGFGWMYHJTLFU-NWDGAFQWSA-N	308.422	3.443	10	20	DGCD	
CCN(C(=O)CN[C@@H]1CCc2cccc(O)c21)c1ccccc1	903195494	UKFFQVXYMOZEQR-MRXNPFEDSA-N	310.397	3.022	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@H]3CC[C@H](C)CC3)ccc21	731115719	HHZLRRKMZUGFFI-CZIWCDLHSA-N	315.461	3.447	10	20	DGCD	
CC[C@H](NC(COC)COC)c1cc(Cl)cc(Cl)c1O	834891050	LSQAPOSLLGWACV-ZDUSSCGKSA-N	322.232	3.401	10	20	DGCD	
CCOc1ccc(C[C@@H](C)CNC(=O)c2cc(O)cs2)cc1	839792136	NOUDMKRTWGFPRD-GFCCVEGCSA-N	319.426	3.461	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1	831447634	AVFUNFGQJADSRN-LPHOPBHVSA-N	324.424	3.095	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2N2CCOCC2)cc1	845999215	SMARUGUSZUUDAB-UHFFFAOYSA-N	312.413	3.168	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]([C@H]2CCNC2)C1	843125280	QRYGGMYOOSYJNT-NWDGAFQWSA-N	312.816	3.006	10	20	DGCD	
C[C@@H](CNC(=O)NCc1ccccc1O)Cc1cccs1	743643634	IPNKXYONISBCRP-GFCCVEGCSA-N	304.415	3.132	10	20	DGCD	
CCN(CCCC1CCNCC1)c1ccc(OC)c(OC)c1	843357802	YQKWWOSDQPPCNR-UHFFFAOYSA-N	306.450	3.310	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1occc1C(=O)O	846254540	PKFQNOPKPQJDJT-UHFFFAOYSA-N	301.342	3.329	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O	842885354	NWLQGBUAEZTDAE-MFKMUULPSA-N	310.825	3.096	10	20	DGCD	
CN(C)c1ccc(CN(c2cncc(Cl)n2)C2CC2)cc1	749272785	XDCKFARXKUMKHS-UHFFFAOYSA-N	302.809	3.365	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](C)[C@H]1C	841580987	KAWSEXQXBLYZPB-PMPSAXMXSA-N	315.461	3.473	10	20	DGCD	
CCC(CC)c1cc(CNC(=O)Nc2ccc(N)cc2)on1	841299579	JEUGNECMDFUREO-UHFFFAOYSA-N	302.378	3.482	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	748459865	KOVKOFQEVZDNOM-RBGFHDKUSA-N	300.402	3.016	10	20	DGCD	
CC(C)Cn1nccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	843582063	YLBPCOXYTZCHNS-AWEZNQCLSA-N	314.433	3.096	10	20	DGCD	
C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1cc(F)ccc1O	756661155	YSAVYESOIZPDKF-SECBINFHSA-N	317.286	3.141	10	20	DGCD	
CN(C)c1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1	858126141	UREPDQJNWXLHLB-UHFFFAOYSA-N	319.399	3.387	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@@H](C)c1cc(F)ccc1O	757653537	JIHYGISANNIZBA-GXTWGEPZSA-N	307.365	3.423	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@@H]1CCCN1CC(F)(F)F	922707140	AMFGWKRSJCOEEW-JTQLQIEISA-N	322.758	3.162	10	20	DGCD	
COC(C)(C)C[C@H](C)NCc1c(O)cccc1Br	858146673	KYMJXEVSBJOOPQ-JTQLQIEISA-N	316.239	3.448	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(F)cc1O	850500668	GEFDUHNTRAYYPY-HWPSYORYSA-N	313.438	3.262	10	20	DGCD	
Cn1nncc1/C=C(\Cl)c1nc2cc(Cl)ccc2n1C	751032539	QOFACUUVCUNQNP-POHAHGRESA-N	308.172	3.092	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2sccc2C)c1	862757903	HYYBTKMAPULPMO-ZIAGYGMSSA-N	301.411	3.490	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1cc(C)ccc1O	862757297	OGDJOVJCEUAWAT-YOEHRIQHSA-N	305.418	3.302	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H](OC(C)C)c2ccccc2)c1	862756270	UUBRLCUODVZQPD-GOSISDBHSA-N	313.397	3.483	10	20	DGCD	
Cc1noc(CCCN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)n1	1116569023	YCLCYRLYWSUSFG-YPMHNXCESA-N	301.390	3.163	10	20	DGCD	
CC[C@@H](C)[C@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC	877179992	MILMPWWKOVJASG-WBMJQRKESA-N	311.422	3.210	10	20	DGCD	
C[C@@H](NC(=O)C(C)(C)[C@H](N)c1ccccc1)c1ccccc1O	870988766	ZBHDDGBZSPKKQN-CXAGYDPISA-N	312.413	3.296	10	20	DGCD	
COC(=O)CC[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1	877818959	UCRGHUMDHCFNAZ-LBPRGKRZSA-N	311.809	3.211	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](N3CCCCC3)C2)cc1	773757566	PWNNIACGFJQMGG-LJQANCHMSA-N	301.478	3.203	10	20	DGCD	
Cc1ccc(CN2CCC[C@@H](CC(=O)OC(C)C)C2)c(O)c1	877377600	RISAZNDKQWHDBY-HNNXBMFYSA-N	305.418	3.254	10	20	DGCD	
CC(C)(CC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1	876528771	YSHHGPLUCMLORK-UHFFFAOYSA-N	314.404	3.435	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCc2ccccc2C1	779521633	YWRLAQIWZORMBV-VSGCLNPGSA-N	323.392	3.032	10	20	DGCD	
CCN(C(=O)Nc1c(-c2ccccn2)nc2ccccn12)C1CC1	888593885	NZUOIIBZGABBTK-UHFFFAOYSA-N	321.384	3.413	10	20	DGCD	
CC(C)(C)[C@H](Cn1ccnc1)NCc1cc(F)cc(F)c1O	882910148	LRUFLTROQUFBNG-AWEZNQCLSA-N	309.360	3.071	10	20	DGCD	
C[C@@H](NC(=O)c1cc(Cl)cn1C)c1ccc(N(C)C)cc1	773011204	DKQBJLGUCHTJDC-LLVKDONJSA-N	305.809	3.236	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2cccc(F)c12	782043017	WAMZANZUJJVQMT-JTQLQIEISA-N	313.332	3.223	10	20	DGCD	
CN(Cc1c(Cl)nc2ccccn12)c1ccc2c(c1)OCO2	780778737	QTGROLJUOYXRBA-UHFFFAOYSA-N	315.760	3.353	10	20	DGCD	
CCOc1ccc(N2CCN(CCC(F)(F)F)CC2)cc1	1202356433	ZKEIFKBNJXUYQP-UHFFFAOYSA-N	302.340	3.160	10	20	DGCD	
OCC[C@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O	189932873	SHGIKIZEQRPOHV-NOZJJQNGSA-N	304.217	3.340	10	20	DGCD	
CCCC(=O)N1C[C@@H](CNCc2ccc(OC)c(C)c2)C[C@H]1C	980307256	OGSMYVSAUWYJSE-NVXWUHKLSA-N	318.461	3.130	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@@H]21	1319730168	WOQUDHPMOHXMCT-ICSRJNTNSA-N	313.489	3.203	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)CC1CCC1	1326835773	LQDMVNYKTSYWMY-UHFFFAOYSA-N	319.468	3.200	10	20	DGCD	
Cc1sc(C)c(C(=O)O)c1NC(=O)NCc1ccccc1O	1600877238	NDQQZEOAJCCHBF-UHFFFAOYSA-N	320.370	3.090	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC(C3CC3)CC2)c([N+](=O)[O-])c1	1601880628	DPCADZHSYCABBQ-KXFIGUGUSA-N	316.357	3.319	10	20	DGCD	
CN(C/C=C\c1cccc(F)c1)c1ccc(OCC(=O)O)cc1	1606117785	QKJGGOXGZIDWAT-HYXAFXHYSA-N	315.344	3.439	10	20	DGCD	
COC[C@@H](N[C@H](C)c1cc(C(=O)O)ccc1O)c1ccc(C)o1	1610249623	RJVCKQFVZWPTCT-BXUZGUMPSA-N	319.357	3.030	10	20	DGCD	
CCCCC[C@H](C)NC(=O)CSc1ncc(C(=O)O)s1	1595665986	AOXGXSCULAHYOJ-VIFPVBQESA-N	316.448	3.018	10	20	DGCD	
CCCCC[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)O	1595683632	VHTADQWKFNRLSE-GFCCVEGCSA-N	303.761	3.308	10	20	DGCD	
CCc1cccc(CN(CC2CC2)[C@](C)(CC)C(=O)O)c1O	1597586534	GLUFXJFCBGWGHX-GOSISDBHSA-N	305.418	3.420	10	20	DGCD	
COCCc1noc(CSc2ncc(C(C)(C)C)s2)n1	164055481	SBDRKZBHCSVJSB-UHFFFAOYSA-N	313.448	3.305	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@@H](N3CCCC3)CC2)c1	164395038	DSPAFAQJGNULOQ-GOSISDBHSA-N	302.462	3.459	10	20	DGCD	
Oc1cccc(Cl)c1CN[C@@H]1CCO[C@]2(CCSC2)C1	151389674	CTQOBBZTVCKXQU-IAQYHMDHSA-N	313.850	3.190	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)CC(C)(C)OC)CC2)cc1	157400925	ZIGVBVPHBOUQNW-HNNXBMFYSA-N	320.477	3.457	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H](C)[C@H]3CCOC3)cc2)CC1	157497914	OGBBHVMRNPCBHD-AEFFLSMTSA-N	302.462	3.438	10	20	DGCD	
CCCNC(=O)C1(NCc2cccc(C)c2O)CCCCC1	154524558	XKKCHAHCOOBPDM-UHFFFAOYSA-N	304.434	3.019	10	20	DGCD	
Oc1c(Cl)cccc1CN[C@@H]1CCO[C@]2(CCSC2)C1	182636134	USYZMBOXLJPGEE-IUODEOHRSA-N	313.850	3.190	10	20	DGCD	
CN(C)c1ccc(CNc2cccc(-c3ncn(C)n3)c2)cc1	181048104	BGSXXHFTTDTJPF-UHFFFAOYSA-N	307.401	3.160	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2ccccn2)c1O	181789500	HCLOICKHWGZWEN-JTQLQIEISA-N	304.777	3.494	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCCc2sccc2C)c1	133598576	USXDXJSYTLQLND-UHFFFAOYSA-N	319.426	3.410	10	20	DGCD	
O=c1[nH]c(CSc2nccs2)nc2ccc(Cl)cc12	48874956	LCGVZIAZHKMSMR-UHFFFAOYSA-N	309.803	3.325	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)Nc2ccc(C#N)cc2)cc1	191596969	LBJPFVCHQBFZRF-UHFFFAOYSA-N	323.396	3.420	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)N[C@@H](C)c1cc(F)ccc1O	191564922	XAMKVCDYHJRKJR-BBRMVZONSA-N	303.377	3.094	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1CCCOc2ccccc21	263693314	HAPMTOHLHBMHNK-HNNXBMFYSA-N	312.369	3.105	10	20	DGCD	
CCc1cccc(C)c1NC(=O)NCCc1ccc(O)c(O)c1	267929899	NPVWFFURMZBZDL-UHFFFAOYSA-N	314.385	3.333	10	20	DGCD	
CC(C)[C@@H](CCO)N[C@H](C)c1ccc(Br)cc1O	273596461	QVLUVGGHOCANBF-ZWNOBZJWSA-N	316.239	3.212	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2ccc(C)cc2)c1O	278270288	RRQDXMBMKKICEV-UHFFFAOYSA-N	316.357	3.249	10	20	DGCD	
C[C@@H](NCCc1ccc(Cl)nc1)c1cc([N+](=O)[O-])ccc1O	273572548	KYUSIXDCPWUIMT-SNVBAGLBSA-N	321.764	3.242	10	20	DGCD	
C[C@H](NCCC1(O)CCC1)c1cc(Br)ccc1O	284226673	DCWCIEOZWCTJHM-JTQLQIEISA-N	314.223	3.110	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNc2ncn(C)n2)cc1	296017666	PGFKHHZLTRQHKY-UHFFFAOYSA-N	313.430	3.125	10	20	DGCD	
C[C@H]1CCCN(c2ccc(CN[C@@H](C)CCO)cc2Cl)C1	800493769	QHKOPPKWJMSAJJ-KBPBESRZSA-N	310.869	3.437	10	20	DGCD	
Cc1nnc(COc2ccc3c(c2)c2c(n3C)CCCC2)n1C	647164222	MGLWGLSIACMQPZ-UHFFFAOYSA-N	310.401	3.073	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2ccccc2O)s1	818358308	UDBUAKNICLKOEJ-VHSXEESVSA-N	306.387	3.047	10	20	DGCD	
CC[C@H](NC1CCNCC1)c1cc(Cl)cc(Cl)c1O	817936892	SBKGMKGNSWERBV-ZDUSSCGKSA-N	303.233	3.492	10	20	DGCD	
CC[C@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817960528	MOELIKOVYZQJSG-LBPRGKRZSA-N	315.442	3.188	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)N3CCCCCC3)cs2)cc1	817903641	SDTDJALROQNMSE-UHFFFAOYSA-N	315.442	3.332	10	20	DGCD	
Oc1c(CNCCCOC[C@H]2CCCO2)ccc2ccccc12	816530621	OQHLOLLYTMRVEQ-QGZVFWFLSA-N	315.413	3.221	10	20	DGCD	
C[C@H](Cc1cnccn1)NCc1cc(Cl)cc(Cl)c1O	725849768	XFZVDRHYNUJLQO-SECBINFHSA-N	312.200	3.210	10	20	DGCD	
CC[C@H](NCc1cc(C)cc(Br)c1O)C(C)(C)O	815155553	RXEIIOQYLGMYMF-LBPRGKRZSA-N	316.239	3.102	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)c3ccco3)C2)cc1	818344640	PMWYQEMDVSGDOX-LSDHHAIUSA-N	300.402	3.465	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccoc1	903447807	CUSWTTZTYJQYQK-KDOFPFPSSA-N	301.434	3.299	10	20	DGCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)c1ccc(F)cc1F	732353775	VECMPQRXACWCRO-SSDOTTSWSA-N	312.293	3.160	10	20	DGCD	
Cc1cccc(NCCNCc2cc(Cl)c(C)cc2O)n1	825429278	HWASYLXQFKHXDO-UHFFFAOYSA-N	305.809	3.259	10	20	DGCD	
COc1ccc([C@H]2CCN(C(=O)c3cc(O)cs3)C2)cc1	732280992	LYSUICUIEGNZAK-LBPRGKRZSA-N	303.383	3.092	10	20	DGCD	
CSC[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839917868	IMBWZRXRRAPOPN-KBPBESRZSA-N	308.491	3.107	10	20	DGCD	
COC1CCN(c2ccc(CN3CCC[C@H](F)C3)cc2)CC1	902993646	WKCJRUGYXCZGHL-INIZCTEOSA-N	306.425	3.236	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@H](OCC(F)(F)F)C2)c1	733324861	HKOBBXPHIAMUTF-ZDUSSCGKSA-N	303.324	3.244	10	20	DGCD	
CN(CCCNCc1ccc2c(c1)CCO2)c1ccccc1F	917520106	DRFKIAHOFONVGX-UHFFFAOYSA-N	314.404	3.377	10	20	DGCD	
C[C@H](NCCC1(CO)CC1)c1ccc(N2CCCCC2)cc1	834895701	CQTKVYDACORLCL-INIZCTEOSA-N	302.462	3.490	10	20	DGCD	
CCc1cccc(CNCc2ccccc2Cn2ccnc2)c1O	848893005	MVJQFOCCEXZWIO-UHFFFAOYSA-N	321.424	3.489	10	20	DGCD	
COc1cccc([C@H](C)NCC[C@@](C)(O)c2ccccc2)c1O	846164151	NLMWNVOQCSDBQQ-IFXJQAMLSA-N	315.413	3.349	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]1C	840714890	NHBXMZJTJHEHEO-LXZKKBNFSA-N	306.425	3.187	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C	840432837	HFDDQFBFILCSTI-YCPHGPKFSA-N	320.433	3.127	10	20	DGCD	
COc1cc(C)cc(CN(C)Cc2ccc3c(c2)OCO3)c1O	918069003	HNNBMPZVEJVBJN-UHFFFAOYSA-N	315.369	3.070	10	20	DGCD	
CCc1cccc(CN2CCNC(=O)C[C@H]2c2ccccc2)c1O	848882731	ZOIVFNPSCSPKSS-SFHVURJKSA-N	324.424	3.018	10	20	DGCD	
CCc1cccc(CN[C@@H](CCO)c2ccc(OC)cc2)c1O	848899704	IKXHVOAGWGSPLL-SFHVURJKSA-N	315.413	3.177	10	20	DGCD	
CC(C)CC1(CNC(=O)NCCc2ccc(N)cc2)CCC1	841857385	XILCGGJCIOVXRL-UHFFFAOYSA-N	303.450	3.327	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1cn(C)cn1	926596566	PWLXUVLBTTXQBP-HUUCEWRRSA-N	300.450	3.076	10	20	DGCD	
Cc1noc(C[C@@H](NCc2ccccc2O)c2ccccc2)n1	758617281	KBNZCMZZGZOXFM-MRXNPFEDSA-N	309.369	3.157	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc(F)c(F)c2N(C)C)cc1	858088379	BSKIYKHNWAOIBL-UHFFFAOYSA-N	319.399	3.387	10	20	DGCD	
CNC[C@@H](C)N[C@H](C)c1cc(Br)cc(Cl)c1O	854232447	QDEZLMZXQQHKJK-HTQZYQBOSA-N	321.646	3.067	10	20	DGCD	
CCC(CC)[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	761386577	ZMVALRXICSZMRI-HNNXBMFYSA-N	318.461	3.212	10	20	DGCD	
NC[C@@H]1CN(Cc2cccc(Cl)c2O)CC[C@H]1C(F)(F)F	863645973	OZHJDYCLPVBECJ-GHMZBOCLSA-N	322.758	3.005	10	20	DGCD	
COC(C)(C)c1nsc(NCc2cc(C)c(C)cc2O)n1	865296317	VMPDYGKLELIDKE-UHFFFAOYSA-N	307.419	3.354	10	20	DGCD	
CN=[S@@](C)(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1	864013804	AFCWHGBEENZCHM-QFIPXVFZSA-N	317.458	3.451	10	20	DGCD	
COc1cc(CN(C)Cc2ccccc2O)c(Cl)cc1O	876615674	KQFGYGKIXNWBCN-UHFFFAOYSA-N	307.777	3.392	10	20	DGCD	
Cc1ccc(CNC2CCC(O)(c3cccnc3)CC2)c(O)c1	877398395	GPOSMHUOMYXHPL-UHFFFAOYSA-N	312.413	3.016	10	20	DGCD	
Cc1ccc(CN(C)Cc2cn(C)nc2C(F)(F)F)c(O)c1	876814278	KSVFPXXPGONGJS-UHFFFAOYSA-N	313.323	3.085	10	20	DGCD	
CCC[C@@](C)(O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	770754595	RVCQPPZLALYFPC-GOSISDBHSA-N	306.450	3.042	10	20	DGCD	
Cc1ccc(CNCCCC(=O)N2CCc3ccccc32)c(O)c1	877009357	YAGHYNIDADQAAZ-UHFFFAOYSA-N	324.424	3.160	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccc2nccnc2c1	877372696	FWBQZWFYSURDJE-UHFFFAOYSA-N	320.396	3.095	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2CCCC[C@H]2N(C)C)c1O	1116583658	NDZMJHLLLGQKAG-UONOGXRCSA-N	312.841	3.017	10	20	DGCD	
COc1ccc(CN(C)[C@@H]2C[C@](C)(OC)C2(C)C)c(O)c1OC	892203089	QEOZLTWSKRPIIB-KDOFPFPSSA-N	323.433	3.045	10	20	DGCD	
COc1cc([C@H](C)NCc2ccc3c(c2)CCCN3C)ccn1	788585881	XGRVHMDHFSSYOC-AWEZNQCLSA-N	311.429	3.323	10	20	DGCD	
CC[C@H](OC1CCCCC1)C(=O)NCc1ccc(OC)cc1O	794386920	AZRKTPGNDNVFOO-KRWDZBQOSA-N	321.417	3.145	10	20	DGCD	
CCCN(Cc1ccccc1F)C(=O)c1cccc(O)c1O	790523780	XOGFWSYHCOLBFI-UHFFFAOYSA-N	303.333	3.289	10	20	DGCD	
OCCN(CCc1ccccc1)Cc1ccc(N2CCCC2)cc1	1319707581	UBKXWVRSUGAJTC-UHFFFAOYSA-N	324.468	3.324	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc([C@H]2CCC(F)(F)C2)n1C	1520075886	PVPPFRMNLRJLHX-NSHDSACASA-N	322.359	3.060	10	20	DGCD	
Cc1cc(CNC(=O)c2ccc(CN)o2)c(C)n1-c1ccccc1	1579601491	SYVAROHLVVMELN-UHFFFAOYSA-N	323.396	3.076	10	20	DGCD	
CCCN(Cc1cc(C)c(C(=O)O)[nH]1)Cc1ccccc1O	1595885692	BFFCHIXPZWKRPJ-UHFFFAOYSA-N	302.374	3.139	10	20	DGCD	
C[C@H]1CCC[C@@](NCc2c(O)ccc(Cl)c2F)(C(=O)O)C1	1776634744	CFBHWCMAQNZSHU-VFZGTOFNSA-N	315.772	3.308	10	20	DGCD	
COc1cc(CN(C)Cc2ccc(N(C)C)cc2)c(O)cc1C	159503068	RCKKHUXNDHDOLW-UHFFFAOYSA-N	314.429	3.407	10	20	DGCD	
CC(C)CCN(C)C(=O)NCc1ccc(N2CCCC2)cc1	56876788	XUSRIESRNPSHQS-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
CCC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2O)c1	53916549	APEQUSYGUYSRPJ-UHFFFAOYSA-N	312.369	3.013	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2c(F)cccc2Cl)cc1	29981000	FKIWNWKRPZPBGZ-UHFFFAOYSA-N	306.768	3.475	10	20	DGCD	
CC[C@H](C)CN(C)C(=O)NCc1ccc(N2CCCC2)cc1	171836467	NZVWZOGOEANHRA-HNNXBMFYSA-N	303.450	3.474	10	20	DGCD	
Cc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)c(O)c1O	179449425	REZMWZLMCCKGPJ-LLVKDONJSA-N	301.342	3.365	10	20	DGCD	
O=C(CSc1nccs1)c1ccc(N2CCOC2=O)cc1	126548995	XHQLUKNEJABQSW-UHFFFAOYSA-N	320.395	3.075	10	20	DGCD	
CC[C@@H](CSC)NC(=O)NCc1ccc(N2CCCC2)cc1	180803104	BOUWJJQRWYAZRT-HNNXBMFYSA-N	321.490	3.228	10	20	DGCD	
CC[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	183474575	NLSNQIPKVQZWHU-CJNGLKHVSA-N	313.397	3.339	10	20	DGCD	
CC[C@H](N[C@@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1O	186750517	BKRQDCHWJYWJSA-BBRMVZONSA-N	320.433	3.300	10	20	DGCD	
CC[C@H](NC[C@@H](O)c1ccc(OC)cc1)c1ccccc1O	121091633	GVVDJHLHXZTNDB-FUHWJXTLSA-N	301.386	3.175	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@H](O)Cc2ccccc2)cc1	132014681	GPCXQAFOTYANPT-OXJNMPFZSA-N	312.457	3.397	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1	41371759	BLEMEIKVAKOVLB-UHFFFAOYSA-N	316.426	3.396	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OCC(=O)N3CCCCC3)cc12	421197487	KQWCKMMHTBPMDJ-UHFFFAOYSA-N	300.402	3.186	10	20	DGCD	
C[C@H]1CN(C(C)(C)CN[C@H](C)c2ccc(F)cc2O)C[C@@H](C)O1	248518044	POFYIRWCXUABBK-HZSPNIEDSA-N	324.440	3.070	10	20	DGCD	
CC[C@@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1O	527997620	JBWYABWKRBQIJK-GDBMZVCRSA-N	314.360	3.135	10	20	DGCD	
C[C@H]1[C@@H](C)N(Cc2ccc(N3CCCCC3)cc2)CC[S@]1=O	271195531	NIRJHIIQGXVDPY-ZMPRRUGASA-N	320.502	3.018	10	20	DGCD	
CC[C@@H](CCO)CNCc1ccc(N(C)C)cc1C(F)(F)F	279784213	BCQVEQNMVCAPRW-LBPRGKRZSA-N	318.383	3.270	10	20	DGCD	
CC[C@H](NCc1ccnc(N(C)C)n1)c1cccc(Cl)c1O	806150259	OMHJJJYEJCHRBC-AWEZNQCLSA-N	320.824	3.143	10	20	DGCD	
CCn1cc([C@H](C)NCc2cc(Cl)cc(C(C)=O)c2O)cn1	296159550	SRZQVCGGZZXHAU-JTQLQIEISA-N	321.808	3.315	10	20	DGCD	
COc1ccc2c(c1)OCCN(Cc1cc(C)c(C)cc1O)C2	802659466	PAWMOGCQYDZBNA-UHFFFAOYSA-N	313.397	3.412	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@H](C)c2ccc(C)cc2O)s1	818357036	UUWCWMHQCBWRPC-GHMZBOCLSA-N	320.414	3.356	10	20	DGCD	
CCC(N)(CC)CN[C@H](C)c1cc(Br)ccc1O	817960001	JXVBDONKVKLLHS-SNVBAGLBSA-N	315.255	3.323	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnn(CC(F)F)c2)cc1	814289527	PYSQEYPJFRJBPG-UHFFFAOYSA-N	322.403	3.284	10	20	DGCD	
COc1ccccc1[C@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817937985	AWYGRBUSDANTDC-KSSFIOAISA-N	313.445	3.112	10	20	DGCD	
CCc1c(C(=O)NCc2c(O)ccc3c2CCCC3)ccn1C	810446749	XUDDXUKFQIEIAL-UHFFFAOYSA-N	312.413	3.102	10	20	DGCD	
COc1ccc(CN[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1C	825086881	WKZXWYPJYZKJGM-VQIMIIECSA-N	312.413	3.409	10	20	DGCD	
Cc1cc(O)c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1Cl	826023915	KZFNRBWYERPTQD-IAGOWNOFSA-N	307.821	3.497	10	20	DGCD	
CCOc1ccc(CN2CC[C@@H](OCCC(C)C)C2)c(O)c1	828087595	KXTDEWMNMXIYTK-QGZVFWFLSA-N	307.434	3.428	10	20	DGCD	
OC[C@H](C1CC1)[C@H](NCc1cc(Cl)c(F)cc1O)C1CC1	824844793	CTYJYECXPKGJCG-MLGOLLRUSA-N	313.800	3.071	10	20	DGCD	
Cc1cc(O)c(CN2CCSC[C@@H]2CC(=O)O)cc1C(C)C	738464052	YWWMJCIBEUWZBQ-AWEZNQCLSA-N	323.458	3.216	10	20	DGCD	
CC[C@H](C)C[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O	901677114	ZHKIQWJMGDERHI-MFTLYIETSA-N	304.434	3.245	10	20	DGCD	
CN(C)c1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1	731041681	OGVAWYVCGKTNBT-UHFFFAOYSA-N	311.429	3.260	10	20	DGCD	
Oc1cccc2c1[C@@H](Nc1cccc(N3CCOCC3)c1)CC2	834710032	PSWZMMXNCZTBGI-KRWDZBQOSA-N	310.397	3.328	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H](c3ccccc3F)C1)OCO2	730454896	PNUWEAPSODSWFJ-GFCCVEGCSA-N	315.344	3.250	10	20	DGCD	
CN(CCCCNCc1cc(Cl)c(F)cc1O)C1CC1	835063390	KUFUJPWDBXUBIU-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
Cc1cc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)o1	588404596	DGPAWKHTPNBZKL-XOIDGJRKSA-N	301.342	3.198	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCC1(CC)COC1	838698704	WIONDSZSXFNIKB-UHFFFAOYSA-N	320.433	3.131	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCC(C)(C)C2)cc1	832266833	JLZLTGDGJGDSHT-WBVHZDCISA-N	317.477	3.085	10	20	DGCD	
COC(=O)[C@@H](c1cccc(Cl)c1)N(C)Cc1ccccc1O	735494509	ZCVLAMWPIBXJNB-MRXNPFEDSA-N	319.788	3.392	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C(C)(C)C1	746754660	KYRBJDCUAIIPRO-AWEZNQCLSA-N	315.461	3.399	10	20	DGCD	
CCN(CC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccc(OC)cc1	746109009	HLCHHNRZGUHYIZ-GJZGRUSLSA-N	304.434	3.026	10	20	DGCD	
CC(C)Oc1nc(NCc2ccccc2O)ccc1[N+](=O)[O-]	848660643	IJROOHTVPNPCBB-UHFFFAOYSA-N	303.318	3.095	10	20	DGCD	
Cc1cccc(F)c1CNCc1ccc(N2CCOCC2)cc1	742380943	UDDUFWBJWAVAER-UHFFFAOYSA-N	314.404	3.261	10	20	DGCD	
C[C@H]1COCCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1	753995449	VOADUPXFMCRELW-CYBMUJFWSA-N	315.413	3.486	10	20	DGCD	
CCSC1(CN[C@@H](C)c2cc(C(=O)OC)ccc2O)CC1	850553000	REKBYEQTJYGPPL-NSHDSACASA-N	309.431	3.115	10	20	DGCD	
Cc1ccc(OCCOC(=O)/C=C\c2ccc(O)c(O)c2)cc1	759591467	IDGHWJUZXNVBKH-UITAMQMPSA-N	314.337	3.042	10	20	DGCD	
CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1(C)C	753639992	FQNAUTMKTZBKQV-DXCKQFNASA-N	317.429	3.383	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@@H]2CCCCN(C)C2)c2c(O)ccc(F)c21	858490665	LKSKNMYGRZHIGH-VNHYZAJKSA-N	306.425	3.401	10	20	DGCD	
CC[C@H](C)[C@@H](O)CNCc1cc(OC)cc(C(C)(C)C)c1O	850134334	WMOWMVIIHKZRFR-LRDDRELGSA-N	309.450	3.195	10	20	DGCD	
CC1CCN(c2ccc(CNc3cc(F)ncn3)cc2)CC1	853300128	CHRRNAYHRAWUOW-UHFFFAOYSA-N	300.381	3.464	10	20	DGCD	
CN1CCC[C@@H](c2cccc(C(=O)NCc3ccccc3O)c2)C1	857094147	UENNUCOZENVDOC-GOSISDBHSA-N	324.424	3.131	10	20	DGCD	
COc1ccc(N2CCN(CCCOC(C)(C)C)CC2)cc1	756779628	ZZNYVIVILPXBOK-UHFFFAOYSA-N	306.450	3.022	10	20	DGCD	
O=C(N[C@@H](CCc1ccccc1)C(F)F)c1cc(O)cs1	862807376	JGURCTIZCGXGEA-LBPRGKRZSA-N	311.353	3.450	10	20	DGCD	
CC(C)CN(Cc1cc2c(cc1O)OC[C@@H]2O)CC(C)(C)C	768461783	DOSPEHZXQBGNRG-INIZCTEOSA-N	307.434	3.322	10	20	DGCD	
COc1ccc(CN[C@@H]2CC[C@@H]3SCCS[C@@H]32)cc1C	762619170	XQCFYZMQZJGLQL-VNQPRFMTSA-N	309.500	3.473	10	20	DGCD	
C[C@@H](NC(=O)C1(c2ccccn2)CC1)c1ccc(N(C)C)cc1	867504574	YAFARTPUVDSZDZ-CQSZACIVSA-N	309.413	3.057	10	20	DGCD	
COc1ccccc1[C@H]1CCN(Cc2c(O)cccc2OC)C1	769472663	HVXDVQMGZHQLCY-AWEZNQCLSA-N	313.397	3.399	10	20	DGCD	
CC(C)C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	769403793	WRLRICOHYXRHPI-SFHVURJKSA-N	302.462	3.391	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2F)c1	775376332	SWFDPXDASBDISW-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
COc1cc(O)c(CN2CC[C@@H]2Cc2ccccc2)cc1OC	775724844	LDNHOPQWPFQFKC-MRXNPFEDSA-N	313.397	3.226	10	20	DGCD	
COCc1cccc(NCc2ccc(OC)c(OC)c2O)c1	1120021401	XMZQVNOJXNCEFY-UHFFFAOYSA-N	303.358	3.168	10	20	DGCD	
Cc1cc(C)cc(C[C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1	789986969	NYDCVTXBBQFWKF-GFCCVEGCSA-N	317.360	3.215	10	20	DGCD	
C[C@H](N[C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O	788607658	LYFYOKCYXBNCON-XDTLVQLUSA-N	303.324	3.365	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@H](O)COc2ccccc2)c(O)c1	788507888	SUPYIOADKVMTRN-HOTGVXAUSA-N	315.413	3.100	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)Cc2ccc(OC)c(OC)c2O)C1(C)C	892102049	REYOSEVFFMAJKU-GJZGRUSLSA-N	323.433	3.045	10	20	DGCD	
CCCC1(C(=O)NCCNCc2ccc(OC)c(C)c2)CCC1	1132573245	LJELLGOSOVHLGV-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
Cc1cccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1C	789980279	YUVGRAQDISRVEE-LLVKDONJSA-N	303.333	3.345	10	20	DGCD	
OCCN(Cc1cc(F)cc(F)c1O)[C@H]1CCc2ccccc21	894026141	KZQUAPGERNEGKH-KRWDZBQOSA-N	319.351	3.152	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCN(C2CCCC2)CC1	1204327284	PCABUDNARXDTHY-UHFFFAOYSA-N	313.489	3.347	10	20	DGCD	
CC[C@H](COC)NCc1ccc(N(C)C)cc1C(F)(F)F	792992576	POVCIBBNYZEXKO-GFCCVEGCSA-N	304.356	3.286	10	20	DGCD	
COc1cc(CN2CCOc3ccc(C)cc3C2)c(O)cc1C	795710852	ODLXCSRPXUWVMV-UHFFFAOYSA-N	313.397	3.412	10	20	DGCD	
C[C@@H](O)c1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1F	796523718	UGWZHCDFTMBIMB-SECBINFHSA-N	306.293	3.105	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cc(C)cnc2Cl)c(O)c1	797649163	ZHIBCQMHCRKSKU-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
Oc1ccccc1CNC(=S)NCCCCC(F)(F)F	794976331	FWMITNTYMHRWRE-UHFFFAOYSA-N	306.353	3.089	10	20	DGCD	
COc1ccc(CNCCCNC(=O)CC(C)(C)C)cc1C	1154662590	RYQJPHXYEXXYSC-UHFFFAOYSA-N	306.450	3.036	10	20	DGCD	
C[C@@H](N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1O	1169733716	WXVWPFNUKNLYAD-NVXWUHKLSA-N	324.424	3.348	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1	1327882525	ZDBCVTHWSVGHJL-VVWQDTPRSA-N	300.446	3.300	10	20	DGCD	
CS[C@@H]1CCC[C@H](N[C@H](C)c2cc(C(=O)O)ccc2O)C1	1607391350	JZJDYAGZVOEHSL-KGYLQXTDSA-N	309.431	3.415	10	20	DGCD	
Cc1cc(CN[C@]2(C)CCCC[C@H]2C(=O)O)ccc1N(C)C	1610460788	FQDIAFJPBJYHKT-MAUKXSAKSA-N	304.434	3.184	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CC[C@@](F)(C(=O)O)C2)cc1C	1776821559	IKMRIVLPEARNIV-YOEHRIQHSA-N	309.381	3.219	10	20	DGCD	
CCN(C)c1ccc(CNC[C@@H]2CCCC[C@@H]2C(=O)O)c(C)c1	1776856481	DVERQARHADVMHL-WMZOPIPTSA-N	318.461	3.432	10	20	DGCD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(N)cc1	152562604	JOZRJQLZVWSSAH-GOSISDBHSA-N	312.413	3.094	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	155815089	AMGJHNVOFOXYQL-HIFRSBDPSA-N	320.433	3.442	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@@H](C)c1ccc(N(C)C)cc1	156961606	GRBNJQAFNRVGPO-HNNXBMFYSA-N	305.466	3.052	10	20	DGCD	
Oc1cc(Br)ccc1CNC1Cc2ccccc2C1	691407836	REVKTPPSEHKUIY-UHFFFAOYSA-N	318.214	3.412	10	20	DGCD	
CCN(Cc1cc(Br)cc(C)c1O)C[C@@H](C)OC	383337928	HAUXVBMXDKEVEG-LLVKDONJSA-N	316.239	3.320	10	20	DGCD	
Cc1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c1C	111236433	IDUFYDSNSRDKFP-HNNXBMFYSA-N	312.413	3.468	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2CCCc3cccc(O)c32)s1	182903967	QAWIIWUJJSYFQH-BQYQJAHWSA-N	300.383	3.150	10	20	DGCD	
CCc1ncnc(NCc2ccc(N3CCCC3)cc2)c1F	180001670	ZXDMNUJIRBBWAP-UHFFFAOYSA-N	300.381	3.390	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@@H]2CCCC[C@@H]2C1	182516367	YXPOYPCNDYMSDO-ZNMIVQPWSA-N	303.402	3.321	10	20	DGCD	
Cc1cccc(CN(C)Cc2ccc([S@@](C)=O)cc2)c1O	180502633	IEXDBTACKILLRR-OAQYLSRUSA-N	303.427	3.070	10	20	DGCD	
COc1cccc2c1OC[C@H](N[C@H](C)c1ccc(F)cc1O)C2	185334468	DRKXQJFMCSPDFW-BXUZGUMPSA-N	317.360	3.194	10	20	DGCD	
CC(C)(C(=O)O)[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	135050847	ZWGMULXMXRFWQL-GFCCVEGCSA-N	311.809	3.368	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H](C)Cn3cccn3)cc2)CC1	138430589	QUNYNFVHYKVFLY-QGZVFWFLSA-N	312.461	3.298	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(C2CC2)n1	194871552	USTZTVZKGLLLRW-UHFFFAOYSA-N	315.442	3.359	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)[C@@H](CO)C(C)(C)C)c1O	134437580	QNIMVNWJHKRQDY-AWEZNQCLSA-N	313.825	3.087	10	20	DGCD	
COCc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1	192563585	DAERHALZZSUGBI-UHFFFAOYSA-N	300.358	3.203	10	20	DGCD	
CCOc1cccc(CNC[C@@H](C(C)C)N2CCCC2)c1O	236935224	JWMQMXWIKOUTPA-INIZCTEOSA-N	306.450	3.001	10	20	DGCD	
COc1cccc(CNCc2cccc(Br)c2O)c1	48797180	YDZGYOKHPKJKOX-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
Cc1cc(-c2nc(C3(N)CCCC3)no2)c(C)n1-c1ccccn1	261905387	ZAXLOXOWPLNJIS-UHFFFAOYSA-N	323.400	3.267	10	20	DGCD	
COC[C@@H](C)[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C	360458181	YBRSTJZBVMHIBL-OLZOCXBDSA-N	302.418	3.022	10	20	DGCD	
CCOc1cccc(CN2CCCCC[C@H]2C[C@@H](C)O)c1O	289814583	SZPQCVHWADAXMK-ZBFHGGJFSA-N	307.434	3.306	10	20	DGCD	
c1cnn([C@@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)c1	291365114	YTRBKZALIAPNHB-LJQANCHMSA-N	310.445	3.320	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CSC[C@@H]1C	807477750	XLCVZJNLUPGWBT-JSGCOSHPSA-N	308.447	3.065	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)c(C)n1	298030248	FKMMKZJDUQKFFK-UHFFFAOYSA-N	311.429	3.427	10	20	DGCD	
CC(=O)c1ccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	298690007	MQNIBWQDQAUNTJ-UHFFFAOYSA-N	324.424	3.156	10	20	DGCD	
Cc1coc(C)c1C(=O)NCc1cccc(Br)c1O	803213973	JRQSWDSWQOFWEC-UHFFFAOYSA-N	324.174	3.295	10	20	DGCD	
CO[C@H]1CC[C@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1	800462480	GUQNKADKTFXQDX-GJZGRUSLSA-N	314.385	3.213	10	20	DGCD	
O=C1COc2ccc(NCc3cc(Cl)c(F)cc3O)cc2N1	816537127	UJGDKQZCZGQRFM-UHFFFAOYSA-N	322.723	3.128	10	20	DGCD	
C[C@H]1CCC[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1	817935805	DWAYUDXANUSIMU-FZMZJTMJSA-N	315.442	3.235	10	20	DGCD	
COc1ccc2c(c1)CCCN2CN1C(=O)C(C)(C)[C@@H]1C1CC1	811757291	CNNYLRNENJCSDS-KRWDZBQOSA-N	314.429	3.052	10	20	DGCD	
Cc1cc(CN2CC[C@@H](O)[C@@H](C)C2)ccc1N1CCCCC1	828987794	LQKNTTXBBHQPHG-QFBILLFUSA-N	302.462	3.188	10	20	DGCD	
C[C@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O	724943320	NPUORPFEHXCHDU-QWHCGFSZSA-N	306.406	3.052	10	20	DGCD	
Cc1ccoc1CC(=O)NCc1ccc(N2CCCCC2)cc1	824261648	IPAOBQZWNVPLNA-UHFFFAOYSA-N	312.413	3.437	10	20	DGCD	
COc1cc(O)c(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cc1OC	824941588	PVIOLQCYPLBGTG-KBXCAEBGSA-N	303.402	3.030	10	20	DGCD	
Cc1cc(Cl)cc2c1N(C(=O)/C=C/c1cnn(C)c1)CCC2	735449572	IFLFCSABRVACIO-AATRIKPKSA-N	315.804	3.375	10	20	DGCD	
CCCN(C(=O)/C=C\c1cccnc1)c1cccc([N+](=O)[O-])c1	588617666	QCRLVMGHFWIAOC-HJWRWDBZSA-N	311.341	3.446	10	20	DGCD	
CCc1cccc(NC(=O)CNCc2c(O)cccc2Cl)c1	733327662	AQLLBKWCSHMMTM-UHFFFAOYSA-N	318.804	3.336	10	20	DGCD	
Cc1cc(C)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cn1	834903499	PWXYBWOSCZNAER-LBPRGKRZSA-N	301.346	3.163	10	20	DGCD	
CSc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1	588403789	PIRYVMRWBVOCMU-OQFOIZHKSA-N	301.367	3.472	10	20	DGCD	
CC[C@H](N[C@@H](C)CC(=O)NC)c1ccc(Cl)c(Cl)c1O	834898926	CECOXCIRNDDCKH-KWQFWETISA-N	319.232	3.264	10	20	DGCD	
CC(C)(C)OC(=O)CCCCN[C@H]1CCc2cccc(O)c21	834698333	YBMTYPXPZVTAGM-AWEZNQCLSA-N	305.418	3.481	10	20	DGCD	
CC(C)(CNCc1cc(Cl)c(F)cc1O)OCC1CC1	840960932	YDANCCKLKPIWAR-UHFFFAOYSA-N	301.789	3.480	10	20	DGCD	
CSCC1(CC(=O)NCc2ccc3c(c2)CCCN3C)CC1	844356368	HNPLIVXRIHBMDA-UHFFFAOYSA-N	318.486	3.219	10	20	DGCD	
CN(CCCCS(C)(=O)=O)c1ccc(-c2nccs2)cc1	846992694	LSRCLSDLUKLCCC-UHFFFAOYSA-N	324.471	3.071	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@H]2C2CC2)c1	840298386	SYBVDUZMZVXMPV-CJNGLKHVSA-N	318.417	3.026	10	20	DGCD	
CCCCCn1nc(C)cc1NC(=O)NCc1ccccc1O	748953306	CIMSNHAIWSFXPU-UHFFFAOYSA-N	316.405	3.409	10	20	DGCD	
COc1cccc(O)c1CN[C@@H]1CCOc2c(OC)cccc21	848575188	LOULBMAWZQBMLY-CQSZACIVSA-N	315.369	3.023	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CCO)c2ccccc2F)cc1F	842762039	AGOZFIYTFYUZRN-KRWDZBQOSA-N	320.383	3.244	10	20	DGCD	
O=C(N[C@H](c1ccccc1)C1(CO)CCC1)c1cc(O)cs1	855114827	MRCFFALJWIHELZ-OAHLLOKOSA-N	317.410	3.087	10	20	DGCD	
CC(C)c1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)on1	756574594	XUDOYRFNPCSIOV-SNVBAGLBSA-N	305.334	3.263	10	20	DGCD	
CCSC1(CN[C@H](C)c2cc(C(=O)OC)ccc2O)CC1	850552998	REKBYEQTJYGPPL-LLVKDONJSA-N	309.431	3.115	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[C@@H]3C2)cc1F	852084195	LWZURCBBQWZAGV-LSDHHAIUSA-N	319.424	3.223	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)CCc2ccco2)c1	858103471	UWHPLDCSUNGZLT-CYBMUJFWSA-N	302.374	3.114	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CC(=O)O)C(C)C)cc1F	756363167	UWTXTILYGBSCND-HNNXBMFYSA-N	310.413	3.261	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cnc2ccccc2n1	851720170	BPVQKNNHCGDUGS-UHFFFAOYSA-N	306.413	3.328	10	20	DGCD	
C/C=C/C[C@H](CO)NCc1cc(OC)cc(C(C)(C)C)c1O	850249580	DJRJGWFWPYZPBD-PSKZRQQASA-N	307.434	3.115	10	20	DGCD	
Cc1ccccc1OCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756483868	YFGAKVOHABQRBN-ZDUSSCGKSA-N	316.357	3.338	10	20	DGCD	
COc1ccc(C2(CNC(=O)c3cc(O)cs3)CCC2)cc1	753521762	KLECDPHXSJYIQX-UHFFFAOYSA-N	317.410	3.314	10	20	DGCD	
Cc1csc(CCCNCc2ccc3c(c2)CCCO3)n1	1119677224	DBYAUGHAOLJZST-UHFFFAOYSA-N	302.443	3.499	10	20	DGCD	
Oc1cc2c(cc1CNCc1cccc(C(F)F)c1)OCO2	1116722763	TTZSIPWBCFOVQU-UHFFFAOYSA-N	307.296	3.348	10	20	DGCD	
Cc1ccc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)c(O)c1	876983958	BAZHOMFSWXQLLH-KRWDZBQOSA-N	312.413	3.010	10	20	DGCD	
Cc1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c(O)c1	876811575	LIILZWLXWIVCGA-MAUKXSAKSA-N	300.446	3.149	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@@H](OCc2ccccn2)C1	877645484	MQCGAFFEJDGMBY-CQSZACIVSA-N	318.804	3.232	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)no1	874108109	OKIGOCWDIQFQFM-UHFFFAOYSA-N	321.808	3.445	10	20	DGCD	
Cc1ccc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)s1	779501216	VANIYKSBIUTLOF-UIJKISKDSA-N	303.383	3.358	10	20	DGCD	
C[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccc(N(C)C)cc1	773017401	GLFCJKDLFZKCCC-CYBMUJFWSA-N	320.396	3.187	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(C)(Cl)Cl)cc1F	777392476	NTZYWGCIAOHXJS-UHFFFAOYSA-N	321.223	3.482	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2ccccc2n1	779499942	JGVGFKJFDUIWHH-UXBLZVDNSA-N	306.321	3.298	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@H]1CCO[C@@H](c2ccncc2)C1	883136082	ULTGOXJRTQYQMS-GOEBONIOSA-N	320.339	3.075	10	20	DGCD	
COC(=O)N1CCC([C@@H](C)N[C@H](C)c2c(O)cccc2F)CC1	886594559	OYOTYWVEBNAOGQ-VXGBXAGGSA-N	324.396	3.049	10	20	DGCD	
C[C@H](NCc1cc(F)cc(F)c1O)[C@@H](O)c1cccc(F)c1	883027691	KQPRPHDSKWXKNP-BJOHPYRUSA-N	311.303	3.021	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC2(CCCC2)C1	783845548	HWMJFDLAILFRLP-FNORWQNLSA-N	301.386	3.294	10	20	DGCD	
Cc1cccc(C[C@H](CO)NCc2cc(Cl)cc(F)c2O)c1	786579193	MZPKUBSNYCPHEG-OAHLLOKOSA-N	323.795	3.186	10	20	DGCD	
COc1ccc(CN2CCC[C@H]2c2ccc[nH]2)c(O)c1OC	891404784	OAKKMWHOTTZMHQ-AWEZNQCLSA-N	302.374	3.075	10	20	DGCD	
COc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)c(O)c1OC	894735451	JMRXNFYJRLVVDH-ZBFHGGJFSA-N	303.402	3.030	10	20	DGCD	
COc1cc(C)cc(CNc2ccccc2C[S@@](C)=O)c1O	894469805	QGTQEUNVCGXGKZ-JOCHJYFZSA-N	319.426	3.200	10	20	DGCD	
CN(Cc1ccc(Br)o1)c1ccc2c(c1)OCO2	792174289	PYTAEHRMVJSYSR-UHFFFAOYSA-N	310.147	3.407	10	20	DGCD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@@H]1CCc2cccc(O)c21	701914406	FPVZLLLBCOQPSA-GXTWGEPZSA-N	320.433	3.225	10	20	DGCD	
CC[C@@H](Nc1ccc(NC(C)=O)cn1)c1ccc(F)cc1O	1322451270	GEEXJIKNPQBIQX-CQSZACIVSA-N	303.337	3.448	10	20	DGCD	
COC[C@H](C)n1ccc(NCc2ccc(N3CCCC3)cc2)n1	1255272793	LCEWAZTXOGNQTO-HNNXBMFYSA-N	314.433	3.303	10	20	DGCD	
CCn1ccnc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	1332869280	MBZOVSGCFXVOQZ-UHFFFAOYSA-N	322.412	3.241	10	20	DGCD	
COc1ccc(CN(C)[C@H]2CC[C@@H](SC)C2)c(O)c1OC	1262357187	BSCHMLKRCRXYGM-QWHCGFSZSA-N	311.447	3.125	10	20	DGCD	
C[C@@H]1CCCN1c1nnc(-c2sccc2O)n1CC1CC1	1346978078	YYILFZWGNBFMNP-SNVBAGLBSA-N	304.419	3.111	10	20	DGCD	
Cc1cnc(Cl)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1	1354414212	LYRBCNQRCKZWEH-UHFFFAOYSA-N	317.820	3.382	10	20	DGCD	
CCN(C)c1ccc(CN(C2CC2)C2(C(=O)O)CCC2)cc1	1605411098	XNYIRHIILGEDSJ-UHFFFAOYSA-N	302.418	3.114	10	20	DGCD	
CN(C)c1cc(C(=O)Oc2ccc(N)cc2)nc2ccccc12	1578422673	DKNUOZBDTISKMN-UHFFFAOYSA-N	307.353	3.102	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](CC=C(C)C)C(=O)O)ccc21	1776875717	CXCGSSRYJDIATL-QGZVFWFLSA-N	316.445	3.358	10	20	DGCD	
COCCC1(CNCc2ccc(C(=O)O)cc2O)CCCCC1	1777200784	XRTDQIYUJLMHDF-UHFFFAOYSA-N	321.417	3.167	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)C[C@H](C)O	153858580	HRJYCMFQSBNPMT-FZMZJTMJSA-N	320.458	3.292	10	20	DGCD	
CC[C@@H](COC)NCc1cc(Cl)cc(Br)c1O	708098521	JDRZHZCJPPBASQ-JTQLQIEISA-N	322.630	3.323	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H](NC(=O)OC(C)(C)C)C1CC1	877162556	IOVIOOGGXTWFDP-HNNXBMFYSA-N	320.433	3.094	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)cc1	108646625	RYSJWBKIHOBODU-UHFFFAOYSA-N	306.406	3.142	10	20	DGCD	
CCc1nc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)cs1	111895368	WTGUTZKYDJRVGX-LLVKDONJSA-N	319.430	3.314	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC([C@H]3CCCO3)CC2)c1	188289700	SZCXFRNCOYEUQU-GOSISDBHSA-N	305.418	3.182	10	20	DGCD	
Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C)c(O)c1O	182561142	GXACWTQXCSICMZ-UHFFFAOYSA-N	314.385	3.029	10	20	DGCD	
Cc1ccccc1CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186374849	APEVEUJRFRZRDZ-AWEZNQCLSA-N	313.397	3.086	10	20	DGCD	
Cc1ccc(O)c(CN2CCSC[C@H]2c2nccs2)c1	186662037	QQZYXUZHHAITLS-ZDUSSCGKSA-N	306.456	3.447	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)cn2)cc1	187934875	WCZFKJPCABFCEJ-UHFFFAOYSA-N	316.380	3.389	10	20	DGCD	
CN(C)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1Cl	37768854	NTDDMLBHQSUDFK-UHFFFAOYSA-N	303.793	3.169	10	20	DGCD	
C[C@@H](Cc1ccccc1F)C(=O)NCc1ccc(N(C)C)cc1	78041052	CUXUXXRYKFZFTC-AWEZNQCLSA-N	314.404	3.387	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(C)o1	185630368	BDKYTQICKQTWOK-WFASDCNBSA-N	305.374	3.341	10	20	DGCD	
CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(F)cc2O)c1	185020856	UQPHRLNAQBKULM-NSHDSACASA-N	302.349	3.341	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c1O	74209170	PQQAQMGJMLASFU-OUCADQQQSA-N	306.406	3.025	10	20	DGCD	
CCC[C@@H](C)NC(=O)[C@@H](C)N(CCC)Cc1ccccc1O	76074404	TVLNVRNFBVTWNR-HUUCEWRRSA-N	306.450	3.298	10	20	DGCD	
C[C@H](O)[C@](C)(CNCc1cc(F)ccc1O)Cc1ccccc1	191779916	LODLQQOSYBKLOF-LIRRHRJNSA-N	317.404	3.251	10	20	DGCD	
C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	264340005	WEZXDMDZPWSXMW-PBHICJAKSA-N	301.434	3.275	10	20	DGCD	
C[C@H](N[C@@H]1CCc2c(O)cccc21)c1cc([N+](=O)[O-])ccc1O	273469112	FGJVEUUEOGMTHC-ZUZCIYMTSA-N	314.341	3.344	10	20	DGCD	
CCc1nc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2)no1	361168473	NSTPNSPRVSSHAU-INIZCTEOSA-N	314.433	3.425	10	20	DGCD	
CCCC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	277482618	WSDABRWLSQKDKV-NSHDSACASA-N	306.189	3.432	10	20	DGCD	
CN(C)c1ccc(CN2CCC(OCC3CC3)CC2)cc1F	378344254	YSJWJBMDVCFKFN-UHFFFAOYSA-N	306.425	3.283	10	20	DGCD	
Oc1ccccc1CN(C[C@H]1CCSC1)C[C@H]1CCCO1	278392288	AIXXADAQSIIVRB-GDBMZVCRSA-N	307.459	3.126	10	20	DGCD	
Cc1ncc2c(n1)CC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C2	370671187	OFBSIWGFCBOHFC-CXAGYDPISA-N	310.445	3.059	10	20	DGCD	
C[C@@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C(C)(C)C1	380402775	RAZSPOUJRCHNKR-XOIDGJRKSA-N	304.346	3.317	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCSC1	283476062	WSVWVBCKYHTZSQ-CQSZACIVSA-N	322.474	3.457	10	20	DGCD	
CCOc1cccc(CN2CCC3(CCOCC3)CC2)c1O	285302151	VZJNZTRAJVPUFE-UHFFFAOYSA-N	305.418	3.184	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)CC1CC(F)(F)C1	296542206	NZXCIJJMXSWLDE-UHFFFAOYSA-N	310.388	3.000	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)CCCN)c2C)c1	295281211	SVADWEJDGCJBTE-AWEZNQCLSA-N	313.445	3.260	10	20	DGCD	
C[C@H](c1cc(F)ccc1O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1	296473748	NWKCNZQLWZXDSY-OLZOCXBDSA-N	322.424	3.206	10	20	DGCD	
O=C1CCCN1c1ccc(CN[C@@H]2CCc3cccc(O)c32)cc1	295933542	KKWSPTPARZSEHW-QGZVFWFLSA-N	322.408	3.296	10	20	DGCD	
CC[C@H](C)OCC(=O)NCc1cc(Cl)cc(Cl)c1O	807837292	KBHDCZYBCIOSEC-QMMMGPOBSA-N	306.189	3.130	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCC(=O)NC(C)(C)C)c1O	808705355	FIXBVLFDVZZJLW-LLVKDONJSA-N	312.841	3.309	10	20	DGCD	
Cc1cc(N)cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	817979907	FYYGKYXLOFBZJH-NSHDSACASA-N	301.346	3.042	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)C3CC(C)(C)C3)C2)cc1	819590601	LGSRRKJYRKJPGB-CQSZACIVSA-N	316.445	3.074	10	20	DGCD	
C[C@H](CSC(C)(C)C)NC[C@H](N)c1ccc(N(C)C)cc1	817944047	WZPYLNDFRNLWJP-CJNGLKHVSA-N	309.523	3.262	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H](c2cccnc2)C2CCC2)cc1	817943261	SXJZCELRPOIATI-UXHICEINSA-N	324.472	3.278	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@]3(CCCN(C)C3)C2)cc1	815145338	RUCZZNZJJSYSJX-LJQANCHMSA-N	301.478	3.060	10	20	DGCD	
CC[C@@H](N)CN[C@@H](C)c1cc(Br)cc(Cl)c1O	817979325	JMRUBEBPHQOYOJ-IONNQARKSA-N	321.646	3.196	10	20	DGCD	
O=C(CCCNCc1cc(-c2ccccc2)ccc1O)NC1CC1	725846205	XFOJIKJMHKQUOD-UHFFFAOYSA-N	324.424	3.208	10	20	DGCD	
CCOCc1cc(CNCc2ccnc(C)c2)ccc1OC	824595904	BFRIKZFJZWEIEV-UHFFFAOYSA-N	300.402	3.225	10	20	DGCD	
COCCc1ccc(OC[C@@H](C)NCc2ccccc2O)cc1	825185902	SVTDUOXUPJWYRV-OAHLLOKOSA-N	315.413	3.138	10	20	DGCD	
COc1cc(CN2CCC[C@@H](CCO)C2)c(O)c(C(C)(C)C)c1	824719161	CKWJMBGAWXZHQJ-AWEZNQCLSA-N	321.461	3.293	10	20	DGCD	
Cc1cc(CCN[C@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1	902731198	WHZXPVAEMFAKPI-OAHLLOKOSA-N	323.444	3.116	10	20	DGCD	
CO[C@@H](CNCc1ccc(Br)cc1O)CC(C)C	826131372	RZQZRBYICLOITF-CYBMUJFWSA-N	316.239	3.305	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2CCN(C(C)(C)C)C2)c1O	826869033	ZLBDPEYVBQXNLU-ZDUSSCGKSA-N	312.841	3.017	10	20	DGCD	
Cc1cnc(CN(Cc2ccco2)Cc2ccccc2O)cn1	732202477	RTMUWNJWMQNEBC-UHFFFAOYSA-N	309.369	3.286	10	20	DGCD	
C[C@@H](Cc1cnn(C)c1)N[C@H](C)c1cc2c(cc1O)CCCC2	834896297	JXXOACPWINZWKK-UONOGXRCSA-N	313.445	3.286	10	20	DGCD	
CCN(C)c1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1	747805063	NGYGNINRMZFQIQ-UHFFFAOYSA-N	312.200	3.055	10	20	DGCD	
Cc1nc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2C)no1	840912040	YXLYOJQYQJGMLY-QGZVFWFLSA-N	314.433	3.480	10	20	DGCD	
C[C@@H]1CC(C)(C)CN1C(=O)NCCCSc1nccs1	840324626	GHOXREXJUXPJMK-LLVKDONJSA-N	313.492	3.455	10	20	DGCD	
CCc1cccc(CNCCN(CC)CCC(F)(F)F)c1O	848905574	JVIBVUSVXOXDRD-UHFFFAOYSA-N	318.383	3.319	10	20	DGCD	
CCc1cccc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1O	848905292	GGHJGJPEXCQRGX-RYUDHWBXSA-N	302.422	3.437	10	20	DGCD	
CON(C[C@@H]1CCC[C@H](C)C1)C(=O)NCCc1ccc(N)cc1	841956247	ZSTCELOQWRADFL-GOEBONIOSA-N	319.449	3.211	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@@H]2CS[C@@H](C)C2)c1	840958062	IDCOUISFCWWZPA-ONGXEEELSA-N	316.264	3.447	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ccnc(Cl)c2)cc1	844399855	QIJBREYGCVQPBD-UHFFFAOYSA-N	319.836	3.312	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H]2COc3ccccc3C2)c1O	846143492	JBAVFOADPWQJKB-ZIAGYGMSSA-N	313.397	3.303	10	20	DGCD	
COCCOCCCCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756516179	IDFMMVCXTKQPAU-OCCSQVGLSA-N	311.397	3.112	10	20	DGCD	
Cc1cnc(NCc2ccc(N3CCC(O)CC3)cc2)s1	853955047	BXACFPUZZAAUST-UHFFFAOYSA-N	303.431	3.025	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2cn(C)cn2)cc1F	925014417	QFHUSZYFOPNKFJ-CYBMUJFWSA-N	304.413	3.256	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1CO	857061027	IDFUGAVWSRJIDI-SJLPKXTDSA-N	302.462	3.127	10	20	DGCD	
C[C@@H]1CCC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	850405862	IEFZHNOMWGEMSW-WBVHZDCISA-N	302.462	3.316	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)C2CCC2)cc1	859638853	SGRGVAQCSNDPIE-UHFFFAOYSA-N	324.424	3.460	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCC(C)(C)c2ccccc2)c1	858133936	CYNBUCZCCPDAEX-UHFFFAOYSA-N	312.413	3.478	10	20	DGCD	
O=C(NCc1ccccc1O)C(F)(F)c1c(F)cccc1F	757101176	PCCNDQMKXBPFJE-UHFFFAOYSA-N	313.250	3.079	10	20	DGCD	
CCOc1cc(NCc2ccc(N3CC=CC3)cc2)nc(C)n1	853364372	JCGOWJKKKAGWGI-UHFFFAOYSA-N	310.401	3.172	10	20	DGCD	
C[C@@H](NCC1(N(C)C)CCCCC1)c1cc([N+](=O)[O-])ccc1O	756358665	WLEHWWUDUXEWDP-CYBMUJFWSA-N	321.421	3.216	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2cccc(O)c2)c1	934941020	VDGQBASLCOBBCW-VXGBXAGGSA-N	315.369	3.087	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1ccccc1O	868423343	ZHIMRDAQXKACAE-MYFFOXHASA-N	322.408	3.338	10	20	DGCD	
COCCOc1ccc(F)cc1NCc1ccc(C)cc1O	876851493	KNSBGKUDTRHJBT-UHFFFAOYSA-N	305.349	3.477	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(F)F)cc1	773739523	BDNJGXCEVHEFCY-SNVBAGLBSA-N	321.323	3.396	10	20	DGCD	
CC[C@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O	775488061	GJYJDLJYWWVAMK-YJBOKZPZSA-N	317.404	3.423	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCCCC2(C)C)c1O	775036824	FZOHHVBHHDHMKX-ZDUSSCGKSA-N	308.378	3.367	10	20	DGCD	
CCC1(CC)NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	772120606	GYKDICXPQRAMEY-UHFFFAOYSA-N	316.188	3.191	10	20	DGCD	
Cc1ccc(CNCC2CCN(CC(F)(F)F)CC2)c(O)c1	877457692	ACFUGHCNWCMGTD-UHFFFAOYSA-N	316.367	3.065	10	20	DGCD	
CO[C@H]1CCC[C@@H]1CNCc1cccc(Br)c1O	774832147	JGTLXNSDBPSTSP-MFKMUULPSA-N	314.223	3.059	10	20	DGCD	
O=C(CCc1cccc(Cl)c1)NCc1ccc(O)c(O)c1	778916914	RSAGPYSOXCXCET-UHFFFAOYSA-N	305.761	3.000	10	20	DGCD	
C[C@@H](CCO)C1(CNCc2ccc(N(C)C)c(F)c2)CCC1	776256693	GJFJNXIVHQADLA-AWEZNQCLSA-N	308.441	3.170	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)CN1C	775987743	WFESPXFEXNVRAX-DLBZAZTESA-N	301.478	3.201	10	20	DGCD	
C[C@@H](NCc1cc(F)cc(F)c1O)[C@@H](O)c1cccc(F)c1	883027693	KQPRPHDSKWXKNP-RFAUZJTJSA-N	311.303	3.021	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1conc1C	888722742	PRMIUQBKSYUMPQ-GFCCVEGCSA-N	316.405	3.110	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCO[C@@H](CC(C)C)C2)c1O	894375391	KGRLFYJZQDNBOH-CVEARBPZSA-N	307.434	3.393	10	20	DGCD	
COc1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)c(O)c1OC	892621143	HRWBNYROJWMISK-SMDDNHRTSA-N	317.385	3.416	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(O)c1	792780447	PUHPJCMIOVMFRF-YWPYICTPSA-N	306.406	3.025	10	20	DGCD	
COc1ccc(CNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)c(O)c1	792876929	AWKKJVDWBRTGCG-MELADBBJSA-N	318.417	3.026	10	20	DGCD	
Oc1cc(Br)ccc1CNC1CCSCC1	691468485	UHQCKTJCWLPEES-UHFFFAOYSA-N	302.237	3.140	10	20	DGCD	
CCc1nn(C)cc1CNCc1cc(Cl)cc(Cl)c1O	93113102	PVNREAYBSMZEKH-UHFFFAOYSA-N	314.216	3.285	10	20	DGCD	
Nc1ccc(CN2CCNC[C@@H]2c2ccccc2Cl)cc1	1334753339	CWHVPVIXIAYWMA-QGZVFWFLSA-N	301.821	3.069	10	20	DGCD	
N[C@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1	1261370585	NRYGCVSNGGCQEP-SFHVURJKSA-N	307.441	3.177	10	20	DGCD	
C[C@H](Cc1ccc(NCc2cc(F)ccc2O)cc1)C(=O)O	1604228933	PJIWKFQCSZKYNF-LLVKDONJSA-N	303.333	3.407	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](CCC(=O)O)C2)cc1Cl	1594327012	MTBDBOWJQAOJFX-LBPRGKRZSA-N	311.809	3.431	10	20	DGCD	
CC[C@@H](NCc1ccc(Cl)c(C(=O)O)n1)c1ccccc1O	1595301400	ZDXYOECDIMXGHY-CYBMUJFWSA-N	320.776	3.380	10	20	DGCD	
CC(C)(C)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1	12019923	OBVHTLHDSMLLRG-UHFFFAOYSA-N	313.397	3.368	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3cc4c(cc3O)CCCC4)CC[C@@H]21	160434403	WSYMHDFXUPCKEP-MJGOQNOKSA-N	314.473	3.187	10	20	DGCD	
Cc1cccc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O	179926342	VOWNGJABMUENQF-CQSZACIVSA-N	320.433	3.047	10	20	DGCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cncs1	129949930	MOPDLHDABGLBMR-BJMVGYQFSA-N	315.423	3.476	10	20	DGCD	
COCC[C@@H](C)N[C@@H](C)c1cc(Br)ccc1O	185290205	QMHOHFNYMGLVFZ-ZJUUUORDSA-N	302.212	3.230	10	20	DGCD	
COc1ccc(N2CCN(Cc3cccc(Cl)n3)CC2)cc1	75594747	WUMXXJGLEWILSU-UHFFFAOYSA-N	317.820	3.066	10	20	DGCD	
C[C@H](NCC(F)(F)CO)c1ccc(N2CCCCCC2)cc1	184708576	LXBBUFQPMIXMBP-AWEZNQCLSA-N	312.404	3.345	10	20	DGCD	
CC1CCC2(CC1)OC[C@@H](CN[C@@H](C)c1ccccc1O)O2	183671815	VNJJPCCTWGPJGR-QRHJNKNDSA-N	305.418	3.365	10	20	DGCD	
COc1cc(F)cc(CN[C@@H](C)c2cc(OC)ccc2O)c1	186216636	XRWIHVDYWNTHSG-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
Nc1ccc(CC(=O)NCC2(c3cccc(Cl)c3)CC2)cc1	237899233	HPBPAKVXXRDHAN-UHFFFAOYSA-N	314.816	3.313	10	20	DGCD	
CC[C@H](N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1O	364345479	DCXLYIHURGBLGO-BZSNNMDCSA-N	318.461	3.076	10	20	DGCD	
C[C@H](N[C@H](C)c1cnn(C)c1)c1cc(Br)ccc1O	273578035	MCZIFSZRZKGJKO-ZJUUUORDSA-N	324.222	3.300	10	20	DGCD	
CN(C)c1ccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)cc1	278852530	XAGWHCZWHXVAAC-UHFFFAOYSA-N	324.428	3.196	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]3CCC[C@@H]32)c1O	278240742	NUADWDQMXDEXNV-AAEUAGOBSA-N	306.362	3.074	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](c3ccco3)C2)c1O	370169258	NMMFUEXIXGTQJW-LBPRGKRZSA-N	303.333	3.316	10	20	DGCD	
Cc1nc([C@@H]2CCCCN2Cc2cc(Cl)ccc2O)no1	372839450	RVKVURJHRMQGRJ-ZDUSSCGKSA-N	307.781	3.464	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@@H]2c2ccncc2)cc1OC	289972921	ZFXMYTSVEYKUFT-OAHLLOKOSA-N	314.385	3.142	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnc(C)cc1O	282455662	JEYBSQYMBFNRKC-UHFFFAOYSA-N	314.385	3.244	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@H](O)CC(C)(C)C2)c(O)c1	295233215	ODJSLMFYPBFAGZ-OAHLLOKOSA-N	307.434	3.164	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)CCC=C2	803089763	IKVZNIVYEKQSQV-CYBMUJFWSA-N	323.392	3.418	10	20	DGCD	
COCCCN1CCC(N[C@H](C)c2c(C)cc(C)cc2O)CC1	293807294	RJJIYEZSOMRZKV-MRXNPFEDSA-N	320.477	3.161	10	20	DGCD	
CCc1nnc(CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)s1	391877718	RUCJBTUSCRPERW-MNOVXSKESA-N	303.431	3.453	10	20	DGCD	
Cc1nn(C)c2nccc(NCCCSc3nccs3)c12	817119129	XEJFNEZYEKNCID-UHFFFAOYSA-N	319.459	3.328	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)nc1	813684258	MVEVXVLTNRZDID-UHFFFAOYSA-N	315.131	3.163	10	20	DGCD	
COc1cccc(CNC2(Cc3ccc(F)cc3)CC2)c1O	825017694	XIHVICRWBDIODS-UHFFFAOYSA-N	301.361	3.405	10	20	DGCD	
Oc1ccc(Cl)cc1CNCc1ccnc(N2CCCC2)c1	725845139	OPKPSQSNIVTABQ-UHFFFAOYSA-N	317.820	3.331	10	20	DGCD	
Cc1cc(CN[C@H](CCO)C(C)C)ccc1N1CCCCC1	828803005	ZSJGXVWNXBFGCM-GOSISDBHSA-N	304.478	3.482	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)[C@H](C)c2ccccc2)c1	828681885	HKAHINNRLDDOKV-TYILLQQXSA-N	315.413	3.216	10	20	DGCD	
CC(C)c1n[nH]c(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)n1	834871146	MBBOYADVMIVEOT-GXSJLCMTSA-N	304.369	3.111	10	20	DGCD	
Cc1cn2nc(NCc3ccc(N(C)C)cc3C)sc2n1	734482022	HEMLPCBDJTZKSD-UHFFFAOYSA-N	301.419	3.086	10	20	DGCD	
CCOc1cccc(CN[C@H](C)c2cc(OC)ccc2O)c1O	845972618	PWNBZQXAOQKTFN-GFCCVEGCSA-N	317.385	3.356	10	20	DGCD	
CCC[C@@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCO1	846472945	GYBKROWZLLHXRU-BXUZGUMPSA-N	311.809	3.257	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@H]2Cc2ccccc2)cc1	841962202	NEQSUVVUJZTHQA-IBGZPJMESA-N	323.440	3.228	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1cc2c(s1)CCOC2	846472031	FKSSFZCNXOUAJY-UHFFFAOYSA-N	323.801	3.110	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CO)c1ccc(F)cc1	840934543	SAAPRDFPPCPGFK-SFHVURJKSA-N	302.393	3.023	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](O)c2ccc(Cl)cc2)c1O	846136061	HRXWOYDXHVBXLM-NHYWBVRUSA-N	321.804	3.438	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1	740423840	UETVIPFQBJDFLA-GJZGRUSLSA-N	304.434	3.311	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1	843417149	PWXLXBHBKWIXPH-RHSMWYFYSA-N	305.418	3.182	10	20	DGCD	
CN(c1ccccc1)C1CCN(C(=O)Nc2ccc(N)cc2)CC1	841299076	FQOQXBMWVTZEDF-UHFFFAOYSA-N	324.428	3.402	10	20	DGCD	
CCc1cccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1O	848900913	QUDAEGAXVHTCJF-IBGZPJMESA-N	315.388	3.187	10	20	DGCD	
COc1cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c(O)cc1C	853572425	SDCHRPUMBKFPTG-QAPCUYQASA-N	319.445	3.490	10	20	DGCD	
CC1CC(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	857007785	USDCKZCDNGGOKK-UHFFFAOYSA-N	315.442	3.092	10	20	DGCD	
CCc1c(NC(=O)NCc2ccccc2O)cnn1CC(C)C	757904073	DWKMTNQHLFCDJF-UHFFFAOYSA-N	316.405	3.129	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1cccnc1)Cc1ccco1	757911553	BRTVWAPSPKRHML-UHFFFAOYSA-N	314.366	3.284	10	20	DGCD	
CCN(CCC1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1	760992166	QYGQYKPJQGNDSL-UHFFFAOYSA-N	307.413	3.223	10	20	DGCD	
Cn1[nH]cnc1=NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	767294618	FJWVAFCATGMLOJ-UHFFFAOYSA-N	316.449	3.150	10	20	DGCD	
CC[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1	866465792	VKIYWPRTXUYCPQ-LEWSCRJBSA-N	304.356	3.105	10	20	DGCD	
CN(C)c1cc(F)c(CN(C[C@@H]2CCOC2)C2CC2)cc1F	862218378	KSLXAHPMUYCUIE-LBPRGKRZSA-N	310.388	3.032	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1ncc(Cl)n1C	766267915	DDVFRADCTJKNTG-UHFFFAOYSA-N	305.809	3.425	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2cccnn2)c1C	768022342	XBTYOGTYHMCXLV-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
CCc1noc(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773021852	ULQPJHBDOZSUBI-LLVKDONJSA-N	301.390	3.102	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc3ncccc3c2)ccc1O	776747340	BOTQSZQOYGEGLJ-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
Fc1cc(CN2CCc3ccccc32)ccc1N1CCOCC1	779431936	UVPSWMPLBVRVHZ-UHFFFAOYSA-N	312.388	3.225	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)N[C@@H]2CC23CCC3)C2CC2)cc1	876425059	DJBPDPIPQAGIIZ-QGZVFWFLSA-N	313.445	3.369	10	20	DGCD	
COCC1(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1	777237161	HGFBERBNNJQTAJ-CYBMUJFWSA-N	324.852	3.006	10	20	DGCD	
COC(=O)[C@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)[C@H]1C	787245165	ZWOMSXYIKWKIQS-ZFWWWQNUSA-N	305.418	3.207	10	20	DGCD	
COc1cc(C)cc(CN2CC(Cc3ccsc3)C2)c1O	895379386	VLDIHXASECPWMD-UHFFFAOYSA-N	303.427	3.445	10	20	DGCD	
c1ccc([C@H](NCc2ccc3c(c2)CCO3)c2ncc[nH]2)cc1	783238893	UQLJTLXHMNVDMW-SFHVURJKSA-N	305.381	3.224	10	20	DGCD	
CCOC1CC(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	788967183	QJUGANXKCIVTSJ-CBCUQQMYSA-N	304.434	3.135	10	20	DGCD	
CC[C@@H](N[C@H](CO)c1ccccc1OC)c1ccc(C)cc1O	794812506	WSDYQUULWQFEKZ-IAGOWNOFSA-N	315.413	3.484	10	20	DGCD	
CC[C@@H](N[C@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1O	796959506	QPXCLMKEDKORHZ-FUHWJXTLSA-N	317.404	3.484	10	20	DGCD	
CC[C@@H](NCc1csc(N(C)C)n1)c1ccc(C)cc1O	794804279	ULKSEOURPKHLFB-CQSZACIVSA-N	305.447	3.464	10	20	DGCD	
Cc1nnc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccccc1	799927169	SMNOCZFPSCNRSV-UHFFFAOYSA-N	319.371	3.092	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1	792805522	IAMSZBZKXOCHQC-GFCCVEGCSA-N	316.367	3.382	10	20	DGCD	
CC(C)O[C@@H](COC(=O)c1cccc(O)c1O)c1ccccc1	795537332	XMQXPVBTWPSLAG-INIZCTEOSA-N	316.353	3.421	10	20	DGCD	
CO[C@H]1CCC[C@@H](CC(=O)NCc2ccc(N(C)C)cc2C)C1	793512172	AHNVGFVNRSQUEC-QAPCUYQASA-N	318.461	3.273	10	20	DGCD	
CCCN1C[C@H](CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)CC1=O	1325489290	KBCQTKRJTXRLIC-QLFBSQMISA-N	316.445	3.097	10	20	DGCD	
OCC[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)CC1	1331538996	JBJVGCSTBVQUOU-KRWDZBQOSA-N	302.462	3.271	10	20	DGCD	
CC(C)N1CC[C@H](N(C)Cc2ccc(N3CCCC3)cc2)C1	1261256840	WCVNDJIECUJMKN-IBGZPJMESA-N	301.478	3.201	10	20	DGCD	
COc1cc(F)c([C@@H](C)NCc2ccc(N)cc2)cc1OC	1352788140	DFAPHOBSGCWIAC-LLVKDONJSA-N	304.365	3.276	10	20	DGCD	
Cc1oc(CN(C)Cc2c(O)cccc2Cl)cc1C(=O)O	1608046131	OGGSYDBVOMXTJA-UHFFFAOYSA-N	309.749	3.277	10	20	DGCD	
Cc1cc(C)cc([C@@H](NCc2ccc(F)c(F)c2O)C(=O)O)c1	1607626239	VUISWRBCINTNKT-OAHLLOKOSA-N	321.323	3.203	10	20	DGCD	
CCCC[C@](C)(NCc1cc(F)c(N(C)C)cc1F)C(=O)O	1776768743	CUWJNGCTORDMAW-INIZCTEOSA-N	314.376	3.154	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)cc1O	154200192	HPHJXSMELNBQNP-UHFFFAOYSA-N	312.413	3.429	10	20	DGCD	
Cc1noc(C)c1CNCc1ccc(Br)cc1O	691462918	NLNFLJSAIHTMKX-UHFFFAOYSA-N	311.179	3.049	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2CCCCCn1cccn1	175029090	RKCHXYGUYWFPTC-UHFFFAOYSA-N	314.433	3.018	10	20	DGCD	
Cc1ccsc1C(=O)N1CCOc2cc(N(C)C)ccc21	173203102	GAOYBPFAOUKHQH-UHFFFAOYSA-N	302.399	3.162	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN(C[C@@H]2CCOC2)C2CC2)c1	123776982	FUESMJNXINTTJV-ZDUSSCGKSA-N	319.445	3.396	10	20	DGCD	
Cc1cnc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)s1	79081428	POFNHPVVSNLYGW-LLVKDONJSA-N	305.403	3.060	10	20	DGCD	
CCc1nc(NC(=O)/C=C/c2ccc(O)c(O)c2)sc1C	180679682	HJIGIPJOBICFRO-FNORWQNLSA-N	304.371	3.077	10	20	DGCD	
C[C@H](NCC[S@@](=O)C(C)(C)C)c1cc2c(cc1O)CCCC2	185475468	HJKDITBZTMCCCR-WHEQGISXSA-N	323.502	3.469	10	20	DGCD	
CCc1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)o1	130314482	KRLCUVXORVGLEX-KPKJPENVSA-N	320.395	3.231	10	20	DGCD	
COCc1ccccc1CN[C@H](C)c1cc(OC)ccc1O	193893721	DFIWVKCEVGOTPB-CYBMUJFWSA-N	301.386	3.398	10	20	DGCD	
COc1cccc(CNc2ccc3c(c2)CCCC(=O)N3)c1O	130400829	VAIZLEIWFHPOGL-UHFFFAOYSA-N	312.369	3.288	10	20	DGCD	
COc1cc(Cl)cc(CNCC2(O)CCC(C)CC2)c1O	229052509	BLHFSNPPOILWIT-UHFFFAOYSA-N	313.825	3.085	10	20	DGCD	
CN(CCCNCc1ccc2c(c1)CCO2)C1CCCCC1	237089708	RTTKNBTUBXVMDI-UHFFFAOYSA-N	302.462	3.366	10	20	DGCD	
COc1cccc(CN[C@H](COCC(C)C)c2ccco2)c1O	237237219	KMKUPDACWWZZPL-OAHLLOKOSA-N	319.401	3.497	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@@]2(C)CCO[C@H]2C2CC2)c1	364068499	SQHBRQOVTNJMOE-ZWKOTPCHSA-N	305.418	3.086	10	20	DGCD	
Cn1cc([C@@H]2CSCCN2Cc2c(O)cccc2Cl)cn1	276734373	CDZGKKMBISQJFT-AWEZNQCLSA-N	323.849	3.069	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CCCOC	272565978	QIUSTSDJGPGRNY-HNNXBMFYSA-N	306.450	3.164	10	20	DGCD	
C[C@@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(N(C)C)cc1	370670002	UPENJIGDRSYCHO-OAHLLOKOSA-N	321.428	3.184	10	20	DGCD	
CN(C)c1ccc(CNCc2ccn(C)c2)c(C(F)(F)F)c1	281028329	YGHJJPBPCBTMAN-UHFFFAOYSA-N	311.351	3.400	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCC(=O)N2CCCCCC2)c(O)c1	293724890	MQPGYQABEGPSSO-INIZCTEOSA-N	318.461	3.452	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SC[C@H]1CCNC(=O)CC1	294961984	KBZITEGSFFMLLI-CYBMUJFWSA-N	315.442	3.096	10	20	DGCD	
CC(C)CN(CCN(C)C)Cc1cc(Cl)cc(F)c1O	809729664	NSBDNIIQHCFGDW-UHFFFAOYSA-N	302.821	3.204	10	20	DGCD	
Cc1nn(C)cc1CNCc1cc(C)n(-c2ccccc2)c1C	391160325	SYXMSPNFFCZCSQ-UHFFFAOYSA-N	308.429	3.426	10	20	DGCD	
Cc1nc(C)c([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)s1	817938655	OYUOHGYPLIACFH-BDJLRTHQSA-N	318.490	3.177	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)[C@@H](C(=O)O)C(C)C)cc1	819164922	XPLUINFUFHZECB-PBHICJAKSA-N	306.450	3.368	10	20	DGCD	
CC[C@H](NCC1=CCNCC1)c1ccc(C(F)(F)F)cc1O	817967022	COGZYYSEATVHRW-AWEZNQCLSA-N	314.351	3.371	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)C[C@@H](O)Cc1ccccc1	816625115	RVMKQJHKIDYCGW-HNNXBMFYSA-N	323.795	3.220	10	20	DGCD	
Cc1cc(CN2C[C@H](N3CCCC3)C[C@@H]2C)ccc1N(C)C	815118518	WLGSIQPCIATWAS-FUHWJXTLSA-N	301.478	3.120	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2ccn3C)c1	729534969	GUDBOBJBJUHVCR-LBPRGKRZSA-N	324.380	3.384	10	20	DGCD	
CC[C@H](COCC(F)(F)F)NCc1cc(Cl)ccc1O	824554430	GATKPWGYVWFNME-LLVKDONJSA-N	311.731	3.493	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N(C)c1ccc([N+](=O)[O-])cc1	492716606	NXNFKDKIRAKAGP-FPLPWBNLSA-N	303.343	3.036	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCOC2)ccc1N(C)C	828910096	CNIIEXLQEQSRCI-IEBWSBKVSA-N	302.462	3.452	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C)n(C(C)C)n1	825874320	ZHRNCOWFUQWYML-UHFFFAOYSA-N	314.433	3.077	10	20	DGCD	
C[C@@H](OCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1O	827952256	LMWTWNAAXRZUNV-CHWSQXEVSA-N	317.360	3.314	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)C1(C(F)(F)F)CCCCC1	830559682	SHMUTFGQTMLMSS-UHFFFAOYSA-N	317.307	3.227	10	20	DGCD	
Nc1ccc(CC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	831133198	SSSNOMDGOBHQKT-OLZOCXBDSA-N	314.351	3.296	10	20	DGCD	
Cc1csc([C@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	832431896	XTJMZQRFZHSYIR-OLZOCXBDSA-N	317.458	3.498	10	20	DGCD	
COc1ccc(N(CC(=O)N2CCC[C@H](C)C2)C(C)C)cc1F	749151566	TXVBIVNURWUYLZ-AWEZNQCLSA-N	322.424	3.308	10	20	DGCD	
O=C(NCc1ccccc1O)NCC12CC3CC(CC(C3)C1)C2	748462733	HRTGCGCKENFKCM-UHFFFAOYSA-N	314.429	3.408	10	20	DGCD	
CC[C@H]1C[C@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C	745788826	ROYLHFLTOCMWDD-YOEHRIQHSA-N	315.461	3.399	10	20	DGCD	
C[C@H]1C[C@@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C	741082522	KXTPFPRMEOEGJV-KGLIPLIRSA-N	301.434	3.009	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@H]([C@H]2CCCNC2)C1	843126297	ICKNULNJBMIEQK-KBPBESRZSA-N	308.853	3.257	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H]2COc3c(C)cccc3C2)c1O	846174482	WVFYWXPZEHDURD-HIFRSBDPSA-N	313.397	3.364	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@](C)(O)C(C)C)cc1	743713089	RBMPGKADBZOIED-IBGZPJMESA-N	314.429	3.231	10	20	DGCD	
COc1cc(CN(C)[C@@H]2C[C@@H](OC)C23CCC3)c(O)cc1C	840143655	WERQOAUXDSAHEL-IAGOWNOFSA-N	305.418	3.099	10	20	DGCD	
Cc1ncc2c(n1)CC[C@@H](N[C@@H](C)c1ccc(Cl)cc1O)C2	841745733	SMXUNQUEEVZZFQ-IINYFYTJSA-N	317.820	3.352	10	20	DGCD	
Cc1noc(C)c1C(C)(C)C(=O)NCc1cc(Cl)ccc1O	846472572	AMKOVWBONYRILI-UHFFFAOYSA-N	322.792	3.244	10	20	DGCD	
CCOc1ccc(CN2CCC(OC3CCC3)CC2)c(O)c1	841888294	HHPXDBLRZANMMJ-UHFFFAOYSA-N	305.418	3.324	10	20	DGCD	
CCOc1cccc(CNCc2cccc(OC)c2C)c1O	850416497	JYKLHISXSDNJNM-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
Oc1cc2c(cc1CN1CCOCC3(CCC3)C1)CCCC2	758974375	PZVQLAQXIJOUJI-UHFFFAOYSA-N	301.430	3.274	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](C)N2CCCC[C@H]2C)c1	756411363	OSKCXZDGPLDQRL-ILXRZTDVSA-N	306.450	3.314	10	20	DGCD	
Cc1cccc(NCCN[C@H](C)c2cc(F)cc(F)c2O)n1	756744908	DPYDEROKZZCACE-LLVKDONJSA-N	307.344	3.137	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCS1	769447581	SNBWKBLCYAGOIF-LLVKDONJSA-N	316.810	3.281	10	20	DGCD	
CCC1CCC(N(C)Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768440886	UYJAMULCGUBTFO-AJUCZRQESA-N	305.418	3.219	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCC(F)(F)C2)c(C)n1-c1ccccn1	763869566	HDZWOEHTGYEMNH-CYBMUJFWSA-N	319.355	3.407	10	20	DGCD	
O=C(/C=C\c1ccco1)NCc1cccc(Br)c1O	765765391	RRZWNYQWPKCWFL-SREVYHEPSA-N	322.158	3.077	10	20	DGCD	
CC(C)CC(=O)N1CCCN(Cc2cc(Cl)ccc2O)CC1	877775181	UEPWIZKNTGVTAX-UHFFFAOYSA-N	324.852	3.126	10	20	DGCD	
CN(C(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccc(N)cc1	877077400	GQXZRZHOMYKJAO-IBGZPJMESA-N	323.440	3.286	10	20	DGCD	
COc1cccc([C@H](CNCc2c(C)cccc2O)OC)c1	877647171	BDBIWEZEWQHIKT-SFHVURJKSA-N	301.386	3.187	10	20	DGCD	
CCOc1ccc(CNCc2ccc(C)cc2O)cc1OC	876929516	ZMFOJLHNADFFQM-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
C[C@@H](NC(=O)Nc1cnn(C(C)(C)C)c1)c1ccccc1O	878828237	LGCPOLHTTSOCMD-LLVKDONJSA-N	302.378	3.226	10	20	DGCD	
CC(C)CC[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1116017133	HKBXLCWRVQQGDA-MRXNPFEDSA-N	321.484	3.492	10	20	DGCD	
COc1ccccc1OCCN[C@@H](C)c1c(O)cccc1F	886491896	VUZVEZLEMXXEIY-LBPRGKRZSA-N	305.349	3.270	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)COc2ccccc2)c(O)c1	776175410	YYASGGYEHVVVFP-AWEZNQCLSA-N	301.386	3.348	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCc2nc[nH]c2C12CCC2	895069331	WRCQUMRNKSJVOS-UHFFFAOYSA-N	303.793	3.206	10	20	DGCD	
COc1cc(C)cc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c1O	894993314	JCBQXVKQFMAFCO-IRXDYDNUSA-N	313.397	3.017	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1C(F)(F)F)CC1(O)CCC1	793075767	YTCLWJBWQHDETI-UHFFFAOYSA-N	316.367	3.118	10	20	DGCD	
CC[C@@H](C)N(CC(=O)OC)Cc1ccc(N2CCCCC2)cc1	798954794	DEXVNNDSRZFPJR-MRXNPFEDSA-N	318.461	3.450	10	20	DGCD	
COc1ccc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)cc1	1332650137	MZHUVSMVSTXPHJ-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	1348046699	INXWXHFXKINLDF-NWANDNLSSA-N	303.402	3.321	10	20	DGCD	
COc1ccc(N2CCC(NCCc3ccco3)CC2)cc1	155968707	DBZHYNOMJWFCQE-UHFFFAOYSA-N	300.402	3.089	10	20	DGCD	
CCCCS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	108403633	IQJDPGHYNBPQKH-UHFFFAOYSA-N	324.490	3.142	10	20	DGCD	
CC/C=C(/C)C(=O)NCc1ccc(N2CCSCC2)cc1	61406536	UOWNQCKHWVJDCP-CPSFFCFKSA-N	304.459	3.212	10	20	DGCD	
C[C@@H]1CN(C)[C@H](C)C[C@H]1NCc1ccc(N2CCCC2)cc1	177974477	JPAVXLSUMFIYAD-GPMSIDNRSA-N	301.478	3.105	10	20	DGCD	
C[C@@H](NC(=O)CCc1cccc(O)c1)c1ccc(N(C)C)cc1	1347175037	RUSHSEXPAIUBLC-CQSZACIVSA-N	312.413	3.268	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc([C@@H]2NC(=O)CN2CC)cc1	189894474	DLXYUZQMVCAVFX-HXUWFJFHSA-N	323.440	3.163	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccnn2C(C)(C)C)cc1	186471672	YBQHWSKPAFAMSM-UHFFFAOYSA-N	315.421	3.026	10	20	DGCD	
Oc1ccccc1CNC[C@H](O)c1ccc(C(F)(F)F)cc1	318262742	IQXYCHWDYOFJRU-HNNXBMFYSA-N	311.303	3.234	10	20	DGCD	
Cc1cc2occ(C(=O)NCc3ccc(O)c(O)c3)c2cc1C	186178954	UZTKACGQIPNLNV-UHFFFAOYSA-N	311.337	3.391	10	20	DGCD	
CCc1cccc(OC[C@@H](O)CNc2ccccc2OC)c1	32186255	UINPUZUVUGUBTM-HNNXBMFYSA-N	301.386	3.109	10	20	DGCD	
COCCN[C@@H](C)c1cc(Br)cc(Cl)c1O	134906310	RGTPNAQZPQZVPW-ZETCQYMHSA-N	308.603	3.105	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2nc(C3CC3)cs2)cc1	43648797	LHLDEMUJFQFQMB-UHFFFAOYSA-N	316.430	3.408	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2cnc(C)s2)c1	255613103	VDCTXGJFJPOAEP-ONRRBMGISA-N	318.398	3.056	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCc1cscn1	263861188	AQYLMGCUZBHCLE-UHFFFAOYSA-N	304.415	3.220	10	20	DGCD	
CC(C)COc1ccc(C(=O)NCCc2ccc(N)cc2)cc1	269152501	UDDRMJMGWHWPKK-UHFFFAOYSA-N	312.413	3.276	10	20	DGCD	
CCOC1CC(N(C)Cc2cccc(Br)c2O)C1	809774571	UUNULMBIPROHPI-UHFFFAOYSA-N	314.223	3.154	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1Cc1ccccc1	299135740	FYKRZMRZIYDNCW-GOSISDBHSA-N	324.424	3.015	10	20	DGCD	
CCOCc1cc(CN[C@@H](C2CC2)C(C)(C)CO)ccc1OC	290939284	PSIMIGWQTKVUDN-SFHVURJKSA-N	321.461	3.118	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1O	290402336	JNURCGBQFVWAEI-OAHLLOKOSA-N	315.417	3.468	10	20	DGCD	
C[C@@H](CCOCc1ccccc1)NC(=O)c1cc(O)cs1	807875563	MQNLPLJRQXOBID-LBPRGKRZSA-N	305.399	3.179	10	20	DGCD	
Cc1nn(C)c2nccc(NCc3ccc(N4CCCC4)cc3)c12	817120351	LKOORAZCNGDFSN-UHFFFAOYSA-N	321.428	3.489	10	20	DGCD	
C[C@H](N[C@@H]1CCCC[C@H]1CN)c1cc2c(cc1O)CCCC2	817960149	KYZSKWOMZHTCOU-QANKJYHBSA-N	302.462	3.439	10	20	DGCD	
CC[C@@H](N[C@@H](CN)C1CC1)c1cc(Cl)cc(Cl)c1O	817961365	XTUKCSVSHFUNTJ-OLZOCXBDSA-N	303.233	3.477	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)ccc2F)c1	728978435	HMGJCKAQMQLGNW-LLVKDONJSA-N	303.333	3.339	10	20	DGCD	
CC(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)=C1CCC1	825421052	DLTATTCKAXKUSD-HNNXBMFYSA-N	314.429	3.201	10	20	DGCD	
CO[C@H](C)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	726606632	DLAHMUKOMOWPRT-CQSZACIVSA-N	321.421	3.100	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1	822443618	YPCFVBHVATYUBG-TZMCWYRMSA-N	323.801	3.055	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1cc(C)c(C)cc1O	827751931	YYJWFRDNGAHHSQ-FUHWJXTLSA-N	305.418	3.221	10	20	DGCD	
COC[C@H]1CCN(Cc2ccc(N3CCCCC3)c(C)c2)C1	827872647	FHLZHYSMYZJGMQ-SFHVURJKSA-N	302.462	3.454	10	20	DGCD	
COc1ccc(N(C)CCn2cc(Cl)cn2)cc1Cl	838869948	ZCDGHDNKVPASSQ-UHFFFAOYSA-N	300.189	3.335	10	20	DGCD	
OC[C@H](CN[C@@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1	834802980	HPUAYENINLTAJJ-GOEBONIOSA-N	317.816	3.399	10	20	DGCD	
C[C@H]1C[C@@H](C)[C@@H](C(=O)O)[C@@H](C)N1Cc1ccc(N(C)C)cc1	903951316	TXJKDFFJSZOXSW-UMPJEAMMSA-N	304.434	3.072	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC2(C)CCCCC2)cc1F	734941734	FGEHSBBGFALZCH-UHFFFAOYSA-N	307.413	3.414	10	20	DGCD	
CCOCc1cc(CN[C@@H]2C[C@@H](OC)C23CCC3)ccc1OC	839183066	STBSOPXVTOGEOV-QZTJIDSGSA-N	319.445	3.279	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N(C2CC2)[C@H](C)C2CC2)cc1	739926683	JWTDTNVLDHMLTB-CQSZACIVSA-N	316.445	3.311	10	20	DGCD	
C[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCCO1	837653329	KFWFBZAEINCNOH-AWEZNQCLSA-N	318.200	3.274	10	20	DGCD	
CCO[C@@H](CC)C(=O)NCc1ccc(N2CCCCC2)cc1	742469113	YYUHGJHGVHMWBT-KRWDZBQOSA-N	304.434	3.108	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](C)c2cccc(Cl)c2)c1O	743332138	MKRTVIIEFMMEIT-NSHDSACASA-N	319.788	3.474	10	20	DGCD	
CCCC[C@H](COC)NC(=O)NCc1cc(Cl)ccc1O	845005293	JQEIFSHYJDTRCA-CYBMUJFWSA-N	314.813	3.050	10	20	DGCD	
C[C@H](NCc1nccc(C(F)(F)F)n1)c1ccc(F)cc1O	840869644	NIXHURPUZBDYMK-QMMMGPOBSA-N	315.270	3.191	10	20	DGCD	
O=C(NCc1ccccc1O)NC[C@@H]1CCCc2ccccc21	748458755	BONQHUARIKBUTO-HNNXBMFYSA-N	310.397	3.312	10	20	DGCD	
C[C@@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccc(N)cc1	841038908	UIDBXVJCBCUJSO-ZDUSSCGKSA-N	317.433	3.073	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)c1O	846143613	JWOGBGDGYNTWBL-FZKCQIBNSA-N	320.477	3.418	10	20	DGCD	
COc1ccc(F)c(CNCc2ccc3c(c2)CCCO3)c1	922271338	RKYAIECHBBLEHK-UHFFFAOYSA-N	301.361	3.449	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCS[C@@H]2C)c(C)n1-c1ccccn1	844115877	PPOJCPMYZAQDPT-UKRRQHHQSA-N	315.442	3.113	10	20	DGCD	
COc1ccc(CN[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1C	920182841	ZOCPVMZPGRCLAU-YQQAZPJKSA-N	304.478	3.460	10	20	DGCD	
CC(C)CC[C@@H](CO)NCc1cccc(Br)c1O	858241286	NZNJAHVLIQQNAU-LBPRGKRZSA-N	316.239	3.041	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3C[C@H]3C2)cc1	851987470	OALCUYGJOAMQPT-CVEARBPZSA-N	301.434	3.084	10	20	DGCD	
Cc1nn(C)cc1[C@@H](C)NCc1c(O)cccc1Br	858125694	KXTDOIVWDJSBLY-SECBINFHSA-N	324.222	3.047	10	20	DGCD	
O=C(O)[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccsc1	756363107	RSGFMVDLLWSACL-LBPRGKRZSA-N	315.753	3.162	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccccc1O)c1ccc(F)cc1F	752128841	GLBALMZIUUOKMG-NSHDSACASA-N	305.324	3.480	10	20	DGCD	
O=C(c1cc(O)cs1)N(CCc1ccc(F)cc1)C1CC1	763080652	XUNZQRXAKWUHSV-UHFFFAOYSA-N	305.374	3.440	10	20	DGCD	
CC[C@H](O)CN(Cc1ccccc1)Cc1c(O)cccc1OC	769498066	LGUHOFSHYWOMBH-INIZCTEOSA-N	315.413	3.174	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1C(F)(F)F)CC1(C)COC1	862479291	JUVQDMMLTJFKCD-UHFFFAOYSA-N	316.367	3.240	10	20	DGCD	
C[C@H](NC(=O)C1(c2ccccn2)CC1)c1ccc(N(C)C)cc1	867504573	YAFARTPUVDSZDZ-AWEZNQCLSA-N	309.413	3.057	10	20	DGCD	
CCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)[C@H](C)C1	1035876988	ZAFRLJNEXNYAFP-NVXWUHKLSA-N	318.461	3.130	10	20	DGCD	
Cc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)c(C)n1C1CC1	1119586033	WUKQFKXWNUZWIL-UHFFFAOYSA-N	314.341	3.096	10	20	DGCD	
CCOC(=O)CC[C@H]1CCCN(Cc2c(C)cccc2O)C1	876815126	VAEQPPDYVPWALR-OAHLLOKOSA-N	305.418	3.256	10	20	DGCD	
Cc1ccc(CNC2(c3noc(C)n3)CCCCC2)c(O)c1	877002054	OJKOIXHFJOXQMZ-UHFFFAOYSA-N	301.390	3.341	10	20	DGCD	
CC(C)COCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773147273	FCWKOZUSRQRFKB-HNNXBMFYSA-N	321.465	3.176	10	20	DGCD	
CCN(C)c1ccc(CN2CCC(C3(C)OCCO3)CC2)cc1	773777654	SOBHGTCOOHLQSY-UHFFFAOYSA-N	318.461	3.118	10	20	DGCD	
C[C@@H](NC(=O)CC1CCSCC1)c1ccc(N(C)C)cc1	773024680	NDQJBKOFEZGDES-CYBMUJFWSA-N	306.475	3.463	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cccs1	883288427	DWKGCJUMOSVFFN-OAHLLOKOSA-N	315.486	3.351	10	20	DGCD	
COC(=O)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccsc1	788400635	MGKCEINKKODTQA-LRDDRELGSA-N	318.442	3.379	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2(OC)CCC2)cc1	781571975	MOVIHUFZNHRJEI-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2Cl)c(O)c1O	780891851	AKGSSTQJXVSJGS-LLVKDONJSA-N	319.788	3.421	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2cncc(F)c2)c1O	783004623	AXOYWGXRTJBPBJ-VIFPVBQESA-N	306.312	3.119	10	20	DGCD	
CCC[C@H](NCc1ccc(OC)c(OC)c1O)c1ccccn1	892910481	CXBLICSUAPPUPN-AWEZNQCLSA-N	316.401	3.435	10	20	DGCD	
COc1cc(C)cc(CNC[C@@](C)(OC)c2ccccc2)c1O	894897500	FWBYUWHTWZBZBA-LJQANCHMSA-N	315.413	3.361	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CNCCO[C@H]1CCCCO1	894798672	FTSUERPARHWABS-IBGZPJMESA-N	318.461	3.310	10	20	DGCD	
O=C(Nc1cc(-c2ccccc2)ns1)c1cccc(O)c1O	790731078	YZJAXDIYJTYSIF-UHFFFAOYSA-N	312.350	3.474	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)C[C@@H]2CCCOC2)C2CC2)cc1	792985987	OJCCXJOYGRAUIF-INIZCTEOSA-N	316.445	3.060	10	20	DGCD	
Cc1ccc(-n2nc(C)cc2NC(=O)Cc2ccc(N)cc2)cc1	1326292770	KOQKPBVDNOHPCG-UHFFFAOYSA-N	320.396	3.253	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@H]1CCc2ccccc21	1324511908	AMHNZOHBARJAKX-VGZDNEPHSA-N	323.392	3.347	10	20	DGCD	
CN(C)[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)CC1	1320905419	HWNUVBKJSFLIBH-GOSISDBHSA-N	301.478	3.203	10	20	DGCD	
COC(=O)[C@@H]1CC[C@H](N[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1	1331985067	VMAXFNRSTOCVMV-MQYQWHSLSA-N	303.402	3.180	10	20	DGCD	
C[C@H](CO)N(Cc1ccccc1)Cc1cc(F)cc(F)c1O	1350309585	JXBGFLSHYQLRDH-GFCCVEGCSA-N	307.340	3.053	10	20	DGCD	
c1nc(NCc2ccc(N3CCCC3)cc2)c2ncsc2n1	1350432601	FESNFDNGVGAJIG-UHFFFAOYSA-N	311.414	3.299	10	20	DGCD	
Cc1cccc(N(CC(C)(C)C)C(=O)/C=C/c2cnn(C)c2)n1	1350181147	XIRCFTGQUXTHFV-MDZDMXLPSA-N	312.417	3.216	10	20	DGCD	
C[C@@H](NC(=O)[C@H](CN)C1CCCCCC1)c1ccccc1O	1522341583	HBSWUTZOJOUCIY-CZUORRHYSA-N	304.434	3.115	10	20	DGCD	
Nc1ccc(CCN[C@H]2CCC[C@@H](CCCC(=O)O)C2)cc1	1601216367	YEYJHNMHWNHNDR-RDJZCZTQSA-N	304.434	3.215	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)cc1Cl	1579637975	LIPXYWIRYSDGOU-UHOFOFEASA-N	308.853	3.220	10	20	DGCD	
COc1ccc(CN[C@H](C)CN(C)C(=O)[C@H](C)C(C)C)cc1C	1755606523	LGCDCHNQAJZFMU-HZPDHXFCSA-N	320.477	3.232	10	20	DGCD	
C[C@@H](NCCc1cccc(F)c1)c1cc(C(=O)O)ccc1O	1593273183	CWHMGOYETOTKED-LLVKDONJSA-N	303.333	3.123	10	20	DGCD	
C[C@H](c1cccnc1)N(C)Cc1ccc(N2CCOCC2)cc1	179196247	NFTBQXSZZOLUBB-MRXNPFEDSA-N	311.429	3.111	10	20	DGCD	
CC(C)[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCS1	173307438	GNHRFBVXVGRRCB-MRXNPFEDSA-N	321.490	3.036	10	20	DGCD	
CCOc1ccc(O)c(CN(C)Cc2ccc(O)c(OC)c2)c1	179944988	MWRPUPQMYKZBSD-UHFFFAOYSA-N	317.385	3.137	10	20	DGCD	
COC[C@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	112962241	UNTJWTOWHOGXDV-ZDUSSCGKSA-N	307.434	3.254	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1O	178408711	GWDIEBDVKRHNCX-CYBMUJFWSA-N	300.402	3.318	10	20	DGCD	
CN(c1ccc(CNC(=O)NC2CC2)cc1)C1CCCCC1	67003933	UJNFSTDDTHEXTK-UHFFFAOYSA-N	301.434	3.417	10	20	DGCD	
C[C@H](NCc1ccccc1O)c1nc(-c2cccc(F)c2)no1	174668184	RGQIFYAQXUTOIE-NSHDSACASA-N	313.332	3.432	10	20	DGCD	
Cc1csc(NC(=O)NCc2ccc(N3CCCC3)cc2)n1	43240389	UDVLEERSNMZILZ-UHFFFAOYSA-N	316.430	3.373	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC2CCC(OC)CC2)c1	89487168	WJYDOFZSWUDMOC-IYXRBSQSSA-N	321.417	3.173	10	20	DGCD	
C[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1	90802183	IETGWHRXZMDIKR-RDJZCZTQSA-N	310.445	3.077	10	20	DGCD	
Nc1ccc(CCNC(=O)C2(c3cccc(F)c3)CCC2)cc1	237930956	DCJDNEYSSIUZIY-UHFFFAOYSA-N	312.388	3.189	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	528829560	YBWVVNVXOZKWGW-WVZRYYJFSA-N	305.418	3.190	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3cncs3)cc2)CC1	264487246	RQJJQCAZYVUARB-UHFFFAOYSA-N	315.442	3.309	10	20	DGCD	
C[C@H](NCc1ccn(C)c1)c1ccc(Br)cc1O	273567896	JYDRPIHFZKZUGY-JTQLQIEISA-N	309.207	3.344	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCC(=O)[C@@H]1C	279639204	JAZKCDQHRGWHDK-GDBMZVCRSA-N	316.445	3.106	10	20	DGCD	
C[C@H](NCC(C)(C)OCCO)c1cc(Cl)c(Cl)cc1O	287421148	SGDHRERYJJVDPK-VIFPVBQESA-N	322.232	3.137	10	20	DGCD	
CN(C)CCCCC(=O)NCc1cc(Cl)cc(Cl)c1O	807837263	JECCKHWOKRLMHV-UHFFFAOYSA-N	319.232	3.047	10	20	DGCD	
CCOCCCCNC(=O)NCc1ccc(N(CC)CC)cc1	298969592	NXTLKRLMZIZGCC-UHFFFAOYSA-N	321.465	3.149	10	20	DGCD	
CCCCO[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C	471233787	LTEYYSMHSMBGAT-AWEZNQCLSA-N	302.418	3.308	10	20	DGCD	
Cc1c(NC(=O)c2cccc(O)c2O)cccc1-c1ncco1	816797329	BPTGZWSLMOZVBQ-UHFFFAOYSA-N	310.309	3.314	10	20	DGCD	
Cc1cccc(OC[C@@H](O)CNc2ccccc2OCCF)c1	819488165	KGYWQZFVSGYTFS-HNNXBMFYSA-N	319.376	3.195	10	20	DGCD	
Cc1cc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1N(C)C	815055756	MIEVLLJEYZSRRZ-WFASDCNBSA-N	316.367	3.213	10	20	DGCD	
CC[C@H](NCC1(C)COC1)c1ccc(C(F)(F)F)cc1O	810217964	NDOSDLDBVHDLQK-LBPRGKRZSA-N	303.324	3.488	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)[C@@]3(C)CCCO3)CC2)cc1	815573254	DGKNVPDKLBXRQQ-HNAYVOBHSA-N	318.461	3.211	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCSC[C@H]1c1ccccc1	827935493	YRDUIBRIYSWDIU-ZDUSSCGKSA-N	305.424	3.384	10	20	DGCD	
COc1cc(N(C)Cc2cncn2C(C)C)cc(OC)c1OC	822469649	BVFIENNGMCDRIE-UHFFFAOYSA-N	319.405	3.126	10	20	DGCD	
O=C(CCNCc1ccc(N2CCCC2)cc1)Nc1ccccc1	733330490	YAIXYGWINMIGGQ-UHFFFAOYSA-N	323.440	3.405	10	20	DGCD	
CC[C@H](C)C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O	901677113	ZHKIQWJMGDERHI-GRQQHNRBSA-N	304.434	3.245	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)CSC)cc1	736405586	OVSJEUURTFATPC-CQSZACIVSA-N	323.506	3.426	10	20	DGCD	
COc1ccc(N2CCN(C(=O)OC3CCCC3)CC2)cc1F	830826698	IEOAYQRKETZIDU-UHFFFAOYSA-N	322.380	3.036	10	20	DGCD	
CCCCCC[C@@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832274428	SZFJHDYMBHZLEX-QAPCUYQASA-N	319.493	3.475	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cccc(Cl)c2F)cc1	841044899	ZSDAYVCXPPWVTB-INIZCTEOSA-N	321.827	3.335	10	20	DGCD	
CCc1cccc(CN(C)C[C@@]2(O)CCc3ccccc32)c1O	848919232	IEPOPKXSLXYEPE-FQEVSTJZSA-N	311.425	3.220	10	20	DGCD	
CSCCCOC(=O)c1sc2nc(C)cc(C)c2c1N	744575812	CBUHYHCFNHMDTR-UHFFFAOYSA-N	310.444	3.405	10	20	DGCD	
CN(C)c1ccc(CN2CCC([C@H]3CCCNC3)CC2)cc1F	849349533	CDHXNRYSFGLNTF-KRWDZBQOSA-N	319.468	3.103	10	20	DGCD	
CCc1cccc(CN[C@H](C)[C@H](O)c2cccc(F)c2)c1O	848898845	ZFXRVTBWAMGMJH-PXAZEXFGSA-N	303.377	3.305	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)c1O	842887585	ZNZPSZVUQUXOHE-RISCZKNCSA-N	324.852	3.404	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2ccc(C)s2)cc1	844852576	QYRMUUSBYFEBQA-UHFFFAOYSA-N	318.442	3.274	10	20	DGCD	
C[C@@H](O)c1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1	858106970	VPDWXYNBRQVWFP-GFCCVEGCSA-N	320.383	3.374	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC2([C@H](C)O)CC2)c1C	856130628	GUNYVJAEBJSFEN-HNNXBMFYSA-N	312.413	3.046	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCCc3nc(C)ncc32)c1	756585974	OJQHYSQHIVQALT-BZNIZROVSA-N	313.401	3.227	10	20	DGCD	
Cc1noc(C)c1C[C@H](C)NCc1ccc2c(c1)CCCO2	921762886	QYKDJMREWUQIAX-LBPRGKRZSA-N	300.402	3.337	10	20	DGCD	
COc1ccc(CN2CC[C@H](Sc3nccs3)C2=O)cc1	853017000	YUXHIMDWBVUBJL-ZDUSSCGKSA-N	320.439	3.045	10	20	DGCD	
CC(C(=O)N1CCOc2cc(N(C)C)ccc21)=C1CCCC1	753625159	LCKFPBNFOHOXAV-UHFFFAOYSA-N	300.402	3.369	10	20	DGCD	
C[C@@H]1CSCCN1Cc1c(O)cccc1Br	862244773	FTOZWQBULGBNBO-SECBINFHSA-N	302.237	3.092	10	20	DGCD	
CN(C)c1cc(F)c(CNCCCC(C)(C)C(=O)O)cc1F	864505355	ISKIIYIYRWYZLP-UHFFFAOYSA-N	314.376	3.011	10	20	DGCD	
C[C@H](C(=O)NCCCSc1nccs1)c1cccc(O)c1	932686964	OBBDJKWLAJUTSR-NSHDSACASA-N	322.455	3.251	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1CC12CCCC2	765768299	IQGONQMOEIDWER-NSHDSACASA-N	324.218	3.351	10	20	DGCD	
COc1ccc(N(C[C@H]2CC3(CC3)C(=O)O2)C(C)C)cc1F	763721263	DJVXQNVFKXTZAJ-CYBMUJFWSA-N	307.365	3.145	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C(F)(F)F)O1	769497788	SCWKDSQNQIFSAW-PELKAZGASA-N	309.715	3.197	10	20	DGCD	
C[C@@H](c1ccco1)N(C)Cc1ccc(N2CCC(O)CC2)cc1	876571629	BFVRBMWSWIXECS-HNNXBMFYSA-N	314.429	3.434	10	20	DGCD	
COc1cc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)sn1	877592266	NCXAPHOQBDLEJT-ZDUSSCGKSA-N	319.474	3.247	10	20	DGCD	
Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(O)c2O)cc1C	776278662	DAQHKMMQRZGUFD-GFCCVEGCSA-N	314.337	3.143	10	20	DGCD	
CCc1cccc2c(CCNC(=O)c3cccc(O)c3O)c[nH]c12	776652009	NAEFBMQWVTXRPR-UHFFFAOYSA-N	324.380	3.114	10	20	DGCD	
C[C@@H](Nc1ccc(OC2COC2)cc1)c1c(O)cccc1F	886597224	ZOVSOQCRVCHZJX-LLVKDONJSA-N	303.333	3.482	10	20	DGCD	
COc1ccc(CCN[C@H](C)c2c(O)cccc2F)cc1OC	886487448	FDGSAPGXXBODDC-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
COCc1ccc(CNCc2cc(C)cc(OC)c2O)cc1	894162915	AWWXXGHKJCYREQ-UHFFFAOYSA-N	301.386	3.145	10	20	DGCD	
Cc1ccc(-n2c(C)cc(C(=O)CSCC(=O)O)c2C)cc1	1607720783	QJIRWEMWCPKVTJ-UHFFFAOYSA-N	317.410	3.403	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)CSC3CNC3)c2C)c1	1579746908	DRBSGATVUPWNPN-UHFFFAOYSA-N	314.454	3.290	10	20	DGCD	
CCCc1nc(C)c(CN[C@H](C)c2cc(C(=O)O)ccc2O)o1	1596083800	VJKAQWPNEDQAJW-SNVBAGLBSA-N	318.373	3.190	10	20	DGCD	
C[C@@H]1CCC[C@]1(NCc1ccc(N2CCCCC2)cc1)C(=O)O	1776639734	XJLBKZMKNPVIRN-DNVCBOLYSA-N	316.445	3.410	10	20	DGCD	
CCN1CCc2cc(CN[C@H](C(=O)O)c3ccccc3C)ccc21	1776884692	KPHXJTFACFSHDB-IBGZPJMESA-N	324.424	3.293	10	20	DGCD	
CN(C)c1ccc(CNc2nncn2Cc2ccccc2)cc1	158967989	ATFRGPXFDVWQEZ-UHFFFAOYSA-N	307.401	3.005	10	20	DGCD	
C[C@@H](Sc1nccs1)C(=O)c1ccc2c(c1)CC(=O)N2C	163267644	RKTKHMCXNXWRNE-SECBINFHSA-N	318.423	3.026	10	20	DGCD	
COCCOCCCN[C@H](C)c1ccc(N2CCCCC2)cc1	163446005	LVYYFFIQFQUNTF-QGZVFWFLSA-N	320.477	3.381	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1	152590434	HOINQCRYOPPYBA-LSDHHAIUSA-N	316.351	3.009	10	20	DGCD	
CC[C@@H](C)[C@@H](CNCc1cccc(Br)c1O)OC	381108993	BUAICGQWJJMSQK-ZWNOBZJWSA-N	316.239	3.305	10	20	DGCD	
Oc1ccccc1CN(CCc1ccncc1)C[C@@H]1CCCO1	112600310	MOGKVKPDJPIMBF-SFHVURJKSA-N	312.413	3.011	10	20	DGCD	
CCCN(Cc1ccc(-n2ccnc2)nc1)Cc1ccccc1O	177097062	DZLSXRWUXWWTFE-UHFFFAOYSA-N	322.412	3.385	10	20	DGCD	
COc1ccc(NC(=O)c2ccc(C)c(O)c2O)c2cccnc12	179451151	SHFBOTCWABHSOF-UHFFFAOYSA-N	324.336	3.215	10	20	DGCD	
CCN(CC)c1ccc(CNc2ncnc(N)c2Cl)cc1	302805939	WXAINKJUMYXGBP-UHFFFAOYSA-N	305.813	3.171	10	20	DGCD	
COc1ccc(S[C@H](C)C(=O)Nc2ccc(N)cc2)cc1	20566767	FPYHAWMXSGJJDM-LLVKDONJSA-N	302.399	3.397	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@H]3O)c2C)c1	178586604	ZNYQPKHVJPEDMY-QZTJIDSGSA-N	312.413	3.046	10	20	DGCD	
c1csc(SCCCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	121884585	XZTJKJQUMSVZNF-XQQFMLRXSA-N	310.488	3.173	10	20	DGCD	
O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cccc(O)c1O	185812008	SUZRUOXWUAIORX-UHFFFAOYSA-N	310.309	3.369	10	20	DGCD	
C[C@H](NC1CCSCC1)c1ccc(N2CCOCC2)c(F)c1	180513286	ZHXITANKOJKDLQ-ZDUSSCGKSA-N	324.465	3.209	10	20	DGCD	
C[C@H](NC[C@H]1COC2(CCCCC2)O1)c1cc(F)ccc1O	186230773	CAVVEUFUNNVVMQ-JSGCOSHPSA-N	309.381	3.258	10	20	DGCD	
COC(=O)N1CCC([C@H](C)N[C@H](C)c2ccc(C)cc2O)CC1	186752199	QLZDIYUIRKVCDL-UONOGXRCSA-N	320.433	3.218	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)Cc2cc(OC)ccc2O)C12CCC2	180749120	FXAXBWWGAZKLHM-DLBZAZTESA-N	305.418	3.180	10	20	DGCD	
COc1cccc(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1O	245556413	SBMASLCXTGGMMQ-HDJSIYSDSA-N	305.418	3.479	10	20	DGCD	
C[C@H](NC[C@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1O	281144227	ORYAGSFWMGDQNP-UWVGGRQHSA-N	300.305	3.386	10	20	DGCD	
COc1ccc(N2CCC(Nc3ccc(F)nc3)CC2)cc1	370084815	ZDVNFQWZSUSNML-UHFFFAOYSA-N	301.365	3.310	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CSC	283730667	XHIMRMXIRMYYTC-CYBMUJFWSA-N	310.463	3.455	10	20	DGCD	
COc1ccccc1CC(=O)NCc1c(C)c2ccccc2n1C	471236023	HWQGMOSAGPKOPB-UHFFFAOYSA-N	322.408	3.354	10	20	DGCD	
CC[C@@H]1CCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	386696471	MKCYITYKMPKTMG-XYLWRLHESA-N	304.346	3.319	10	20	DGCD	
CO[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1	801848956	DZYNCZYPYZCPER-SYJIQKIWSA-N	314.337	3.042	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2CF)cc1	296514073	ZPEWNOGYWAERNS-INIZCTEOSA-N	307.413	3.176	10	20	DGCD	
CCCCN(C)C[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1O	808732917	PAXWTPNVXVMLJS-RYUDHWBXSA-N	300.393	3.441	10	20	DGCD	
COc1ccc(O)c(CNCc2ccnc(Cl)c2Cl)c1	811479822	MWJVVRFPXSIYFR-UHFFFAOYSA-N	313.184	3.392	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCO[C@H]3C[C@@H]32)c1C	816896913	UUHYVYKPWJROFB-ROUUACIJSA-N	310.397	3.016	10	20	DGCD	
CCCCC[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC	816590355	XZGOKCIXYMEMFG-CYBMUJFWSA-N	317.788	3.396	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCOCc1ccccc1	816555341	BFWNLSUWBDUOJP-UHFFFAOYSA-N	309.768	3.491	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@H]2CNC[C@H]2C1)c1cc(Cl)ccc1O	817985294	BYIGQUJTXMWZDJ-DMEJVMROSA-N	308.853	3.474	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](CO)Cc2ccc(F)cc2)cc1Cl	825375983	TVWRICVWSGYVNA-OAHLLOKOSA-N	323.795	3.186	10	20	DGCD	
Cc1cc(C(=O)CN(C)CC2CC2)c(C)n1-c1ccc(F)cn1	827434776	LUAAWPBEVICAAK-UHFFFAOYSA-N	315.392	3.153	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@](C)(O)c2cccc(F)c2)c1	903308033	GITNIGJPWXEZJR-SCLBCKFNSA-N	303.377	3.398	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@@H](C)CCCCO)c1	824653843	INFBNRJMUMAZKY-NSHDSACASA-N	316.239	3.104	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c(O)c1	824859667	OGVXCSVRZIJUDI-DZGCQCFKSA-N	318.417	3.169	10	20	DGCD	
O=C(O[C@H]1CCCc2ccccc2C1=O)c1cc(O)cs1	732353053	KWUHMEYUZYGEKA-ZDUSSCGKSA-N	302.351	3.198	10	20	DGCD	
CC1(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)CC1	830626942	DTSNWDHTKQLAHA-UHFFFAOYSA-N	309.431	3.019	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc(Br)cc(C)c1O)[C@H](C)O	834888257	NZTVRUZGHUKVJU-KWBADKCTSA-N	316.239	3.273	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H]2CCN(C(C)C)C2)cc1F	740004808	WRUKIZKUDDLTKO-QGZVFWFLSA-N	321.484	3.492	10	20	DGCD	
C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Cl)cc1O	841756141	RQRBENSGYDYTOX-KDDOJWQBSA-N	305.752	3.245	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc(Cl)ccn1	743719831	WJJLPQTYDPLRIY-UHFFFAOYSA-N	316.788	3.249	10	20	DGCD	
Cc1cc(CN[C@H](C)[C@H](C)C(=O)O)ccc1N1CCCCC1	846228781	OTQDKNNAUDQAGD-LSDHHAIUSA-N	304.434	3.184	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)Cc2cccc(OC)n2)c1	845972499	QZQXSKOGOXFJRD-OLZOCXBDSA-N	316.401	3.086	10	20	DGCD	
CCOc1cc(C)ccc1NC(=O)NCc1ccccc1O	748446716	HSSRLEVNOKZWDI-UHFFFAOYSA-N	300.358	3.421	10	20	DGCD	
C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1O	756686942	UHBSMWOUNRKLIB-SECBINFHSA-N	308.284	3.429	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H](C)C2)cc1	859048461	KGMRSDRYPSZOMB-AWEZNQCLSA-N	324.424	3.318	10	20	DGCD	
CCc1nc([C@H](C)N[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)n[nH]1	756778236	NLBBEFSGYKHZIC-YWVKMMECSA-N	304.369	3.111	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@@H](C)S1	769140201	DNVCAWIFGXNUTC-DTORHVGOSA-N	316.810	3.280	10	20	DGCD	
COc1ccc(CN(C)Cc2c(O)cccc2OC)c(OC)c1	768169442	UVKLQLPTDNRMNT-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCOCC3(CCC3)C2)cc1F	862326229	LDXOJORHGWAKOF-UHFFFAOYSA-N	310.388	3.033	10	20	DGCD	
CC[C@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(Cl)c1O	775513988	PXZOSMLCYNSRIJ-XVKPBYJWSA-N	305.205	3.004	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2cc(F)cc(F)c2)c1O	774934386	IMHAZNWUTQSJRR-UHFFFAOYSA-N	310.256	3.199	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cccnc1C	875845013	BHFHWKQJNDZWEY-UHFFFAOYSA-N	313.401	3.217	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@H](C)O1	773623368	HUTYISRCBOIGKP-GRDNDAEWSA-N	319.449	3.023	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@H]1CCCCS1)c1ccc(N(C)C)cc1	773626112	MFXKRLTVMREBLA-CJNGLKHVSA-N	321.490	3.399	10	20	DGCD	
FC(F)Oc1ccc(CNC(=S)Nc2ccccc2)nc1	773194238	CDERXVPAQACKEJ-UHFFFAOYSA-N	309.341	3.170	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2)nc1)c1c(O)cccc1F	886501487	MQILCOGGTRNTPO-CYBMUJFWSA-N	315.392	3.377	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@H](COc2ccccc2)C1	780788942	DWHROFUTAQMBTE-HNNXBMFYSA-N	313.397	3.302	10	20	DGCD	
Cc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1	784352492	QMFZYJQNCCOPOL-UHFFFAOYSA-N	320.728	3.099	10	20	DGCD	
C[C@H]1CCCC[C@@H]1N(C)C(=O)COc1ccc(N(C)C)cc1	786876307	KWSWXNPTIQQANP-YOEHRIQHSA-N	304.434	3.169	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC=CO2)cc1	780310429	HOVYHURQGIXFAO-KRWDZBQOSA-N	317.433	3.025	10	20	DGCD	
COc1ccc(C)cc1CNCc1ccc(OC)c(OC)c1O	892505023	IRQIFHCGGVDDPV-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
CCN(CC1CCC1)C(=O)NCc1ccc(N(C)C)cc1C	793027600	SWGQVIZTCHIZSS-UHFFFAOYSA-N	303.450	3.393	10	20	DGCD	
COCCCCN(C)Cc1cc(Br)cc(C)c1O	397193570	MIESHEQDFBCLNK-UHFFFAOYSA-N	316.239	3.322	10	20	DGCD	
COC(=O)COc1ccc(N(C)CC2(OC)CCCCC2)cc1	792173380	FBFHWXKWHYHBRD-UHFFFAOYSA-N	321.417	3.024	10	20	DGCD	
COC(=O)[C@H](C)N(Cc1c(O)ccc(Cl)c1F)C1CCC1	792188323	VPXSZLYINSJXNJ-VIFPVBQESA-N	315.772	3.101	10	20	DGCD	
C[C@@H](CN1CCC[C@@H](C)C1)NCc1c(O)ccc(Cl)c1F	790956131	OHDKYFPGSCJGMT-NEPJUHHUSA-N	314.832	3.395	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N1[C@H](C)CCC[C@H]1C	797726049	YXBXWVYDEBVFBS-HUUCEWRRSA-N	316.445	3.237	10	20	DGCD	
C/C=C(/C)C(=O)N1CCC(NCc2ccc(OC)c(C)c2)CC1	990878989	AKYCWHAOWIMXME-RZNTYIFUSA-N	316.445	3.050	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H](C)[S@]1=O	1323981253	LDIYOIIELUWXLT-YBOAYWMSSA-N	320.502	3.018	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCC(F)F)cc1	1523726630	STRMVZALTIYVJK-UHFFFAOYSA-N	313.392	3.329	10	20	DGCD	
O=C(O)[C@@H](NCc1ccc(Cl)cc1O)c1ccc(F)cc1	1594842244	BGLYTVNAYOAPQC-AWEZNQCLSA-N	309.724	3.100	10	20	DGCD	
CN(C)c1ccc(OCCOCc2ccccc2)cc1C(=O)O	1598328434	LWLRENRZAHVAKY-UHFFFAOYSA-N	315.369	3.046	10	20	DGCD	
COc1ccc(CN[C@H](CCNC(=O)C2CC2)C(C)C)cc1C	1755547795	PHSOFXPSWRCXKH-QGZVFWFLSA-N	318.461	3.034	10	20	DGCD	
CN(C)c1ccc2c(c1)CN([C@H](C(=O)O)c1ccccc1)CCC2	1777041242	UAMLAODIGBMSJC-IBGZPJMESA-N	324.424	3.327	10	20	DGCD	
O=C(O)c1ccc(CNCc2ccc(CC3CC3)s2)c(O)c1	1777676022	UUEYFHBKRLFSEN-UHFFFAOYSA-N	317.410	3.394	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCC2(C3CC3)CCC2)cc1	162958525	HUOMSZKCDQSFSB-UHFFFAOYSA-N	301.434	3.132	10	20	DGCD	
COc1cc(O)c(CN2CC[C@@H](OCCC(C)C)C2)cc1OC	160373242	ZFHJIWRNIXSPFO-OAHLLOKOSA-N	323.433	3.046	10	20	DGCD	
CN1CC[C@@H]2[C@H](CCCN2Cc2cc3c(cc2O)CCCC3)C1	160453690	JUGXUYLLKPDOGL-IEBWSBKVSA-N	314.473	3.187	10	20	DGCD	
C[C@H]1CCN(C(=O)NCCCSc2nccs2)C[C@@H]1C	163409814	DQSUJOTXLUUEPD-RYUDHWBXSA-N	313.492	3.313	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1	107937956	CXTAFYQIGLYEDX-ZDUSSCGKSA-N	306.406	3.046	10	20	DGCD	
CCN(CC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C	112214716	JUPJVYSLWXYEMM-UHFFFAOYSA-N	301.434	3.011	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(F)cc1O)c1ccc(NC(N)=O)cc1	170789487	ROZCOMNOGGVIFA-WDEREUQCSA-N	317.364	3.434	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1OC	302816238	VQHXYQGHLKZCGO-UHFFFAOYSA-N	312.413	3.424	10	20	DGCD	
CC[C@H](NCC(=O)N(C)Cc1ccccc1)c1ccccc1O	183330133	COZBTXDJQYXLFH-KRWDZBQOSA-N	312.413	3.092	10	20	DGCD	
C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1	303034203	YBRAJDXEDPCICB-RHSMWYFYSA-N	315.461	3.447	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccs1	78091895	UDDJHGKAKIAKAD-NSHDSACASA-N	306.406	3.373	10	20	DGCD	
C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1O	184982493	BYBJDIFMPNMKNL-GZMMTYOYSA-N	317.216	3.018	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)nc1)N1CCSc2ncccc21	89916886	PZUKJXKYYZSJFW-GQCTYLIASA-N	317.801	3.282	10	20	DGCD	
OC[C@]1(c2ccccc2)CCN(Cc2cc(Cl)ccc2O)C1	368270087	RQCRBQXGBITCSH-SFHVURJKSA-N	317.816	3.182	10	20	DGCD	
C[C@H](N[C@H](C)CC[S@@](C)=O)c1ccc(N2CCCCC2)cc1	271534986	SLKVFRGTBFXOKU-ZMPRRUGASA-N	322.518	3.485	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCN3CCC[C@@H]3C2)cc1	378951312	HTXCXOPWJQOVRI-PKOBYXMFSA-N	301.478	3.249	10	20	DGCD	
CC[C@@H](NCCOc1ncccc1F)c1ccc(F)cc1O	286191214	QUXUPKSLGUQQEO-CQSZACIVSA-N	308.328	3.185	10	20	DGCD	
CC[C@H](NCC(=O)N(C)CC)c1cc(Cl)cc(Cl)c1O	287685911	MXAAQIWFNMHYIG-LBPRGKRZSA-N	319.232	3.218	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC(C2CCCCC2)C1	294381971	SCWLJABRXFDDIH-VQHVLOKHSA-N	301.386	3.150	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@H](CC)c1ccc(C)cc1O	293700190	LZBRVRQGFTYYSA-GDBMZVCRSA-N	306.450	3.294	10	20	DGCD	
Cc1cncc(CCC(=O)NCc2c(O)ccc3c2CCCC3)c1	293182169	AJZFMXGJADNYKT-UHFFFAOYSA-N	324.424	3.223	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]3C[C@@H]32)cc1F	806772554	SCPUKQIFPLOCQC-PBHICJAKSA-N	319.424	3.366	10	20	DGCD	
OC[C@H]1Cc2ccccc2N(Cc2c(O)ccc(Cl)c2F)C1	814169725	LTTKDVLFNKUPIA-NSHDSACASA-N	321.779	3.356	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3csc(C)n3)C2)cc1	818220358	JQJVKLXJWVMFHK-CQSZACIVSA-N	317.458	3.076	10	20	DGCD	
C[C@@H](N[C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O	815598354	SLMVEHWONKHMHN-KOLCDFICSA-N	303.324	3.223	10	20	DGCD	
COCCOc1ccccc1NC[C@H](O)CCc1ccccc1	819427820	WMRMJVOUEWKDNB-QGZVFWFLSA-N	315.413	3.117	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCN2C[C@H](C)O[C@H](C)C2)c(O)c1	815556474	WBJMNYLUBUNRJI-BBWFWOEESA-N	320.477	3.159	10	20	DGCD	
CC[C@@H]1C[C@H]1CNCc1cc(Br)cc(OC)c1O	824783181	GHXREJLREGHPQJ-ZJUUUORDSA-N	314.223	3.299	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)Cc2cccc(O)c2)c1O	729681242	YPUKDTNQMPDDKV-ZDUSSCGKSA-N	301.386	3.217	10	20	DGCD	
Cc1cc(CN[C@@H](C)Cn2cccn2)ccc1N1CCCCC1	827752131	KUJYIGCFXSGXQM-KRWDZBQOSA-N	312.461	3.360	10	20	DGCD	
CC[C@H](NC[C@](C)(O)c1cccc(F)c1)c1ccccc1O	903308616	JUHOJOPPLFIOBH-WMZOPIPTSA-N	303.377	3.480	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc(Br)c(F)cc1O)[C@H](C)O	834888224	NPWQBHLFDAOASN-UBJUHAIHSA-N	320.202	3.104	10	20	DGCD	
O=C(NC1(Cc2cccc(F)c2)CCC1)c1cc(O)cs1	832461018	MHXKSHLPRHIMHI-UHFFFAOYSA-N	305.374	3.488	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cncs1	742469135	ZICRZLYBNZRTHG-UHFFFAOYSA-N	301.415	3.063	10	20	DGCD	
CC(C)(C)n1nccc1NC(=O)NCc1cc(Cl)ccc1O	844636985	NZDOHTPKXJHWGF-UHFFFAOYSA-N	322.796	3.319	10	20	DGCD	
C[C@@H](Cc1ccccc1F)NC[C@@H](N)c1ccc(N(C)C)cc1	841044066	USOXDEZPXIABLY-IFXJQAMLSA-N	315.436	3.112	10	20	DGCD	
Cc1cc(C(=O)OCc2nccs2)c(C)n1-c1ccccn1	917953461	UPJCXYFORWEVQL-UHFFFAOYSA-N	313.382	3.303	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](c2cccs2)N(C)C)c1O	846135723	FUEFSGAORLYPPR-GXTWGEPZSA-N	320.458	3.416	10	20	DGCD	
CCc1cccc(CNC2CCN(C(=O)CC(C)C)CC2)c1O	848894012	DWPZHNGDKVAMSI-UHFFFAOYSA-N	318.461	3.081	10	20	DGCD	
COc1ccc(CC(C)(C)NC(=O)Nc2ccc(N)cc2)cc1	841296018	MRNQLCUDWHZXDH-UHFFFAOYSA-N	313.401	3.420	10	20	DGCD	
COc1cc(Cl)cc(CN2CCNc3ccccc32)c1O	843124896	OVJJPLGVORHZLX-UHFFFAOYSA-N	304.777	3.486	10	20	DGCD	
CN(C)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1	757718100	OPCFRMYFXWGYIE-UHFFFAOYSA-N	302.418	3.138	10	20	DGCD	
O=C(NCCCC1CCC1)NCc1ccc(N2CC=CC2)cc1	852138970	XSPCVYLKMWFNAN-UHFFFAOYSA-N	313.445	3.442	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1	850559231	YFNNXGSRUWZDKS-LSDHHAIUSA-N	318.461	3.307	10	20	DGCD	
CCn1ncc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)n1	858204974	PPDAHPBIQWARNJ-UHFFFAOYSA-N	323.444	3.304	10	20	DGCD	
C[C@@H](NCCC(=O)Nc1ccccn1)c1cc(Cl)ccc1O	756480588	SKWMXXHAWUTVRS-LLVKDONJSA-N	319.792	3.120	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@@H]2CCCC[C@@H]21	853411208	HUWMEEONJMKTTE-WMZOPIPTSA-N	313.445	3.371	10	20	DGCD	
C[C@H](NC[C@@H](O)[C@H](C)c1ccccc1)c1cc(F)ccc1O	850572131	BLNMGQLIYQCCLZ-FHSNZYRGSA-N	303.377	3.347	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@H]1CN1CCCCC1	768938366	YUHGXPIGOCRARZ-INIZCTEOSA-N	308.853	3.496	10	20	DGCD	
CCOC(=O)C1CCC(NCc2cccc(CC)c2O)CC1	877717331	IIIQXYANYHYUPB-UHFFFAOYSA-N	305.418	3.166	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C)Cc2cnn(C)c2)cc1C	873129013	DRDXRWNENOPMFR-HNNXBMFYSA-N	301.434	3.238	10	20	DGCD	
Cc1ccc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(O)c1	876719279	HKFIBJKCVMEZDP-OAHLLOKOSA-N	318.461	3.075	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1O	774963998	MOWITFDTXHGWTB-DGCLKSJQSA-N	308.378	3.367	10	20	DGCD	
COc1cccc(CNc2cc(C(F)(F)F)nc(C)n2)c1O	774524368	PHQUGYKIQJKQDN-UHFFFAOYSA-N	313.279	3.130	10	20	DGCD	
CC[C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)C1	775023791	MDIXZIKHQBMSCJ-AAEUAGOBSA-N	308.378	3.367	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	776154578	AQWAGEYOGKGVHZ-RCCFBDPRSA-N	302.462	3.354	10	20	DGCD	
CCC(CC)n1ccc(C(=O)N(C)Cc2ccccc2O)n1	770997187	VNNOAZZFFOMDNS-UHFFFAOYSA-N	301.390	3.222	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C3CC3)cs2)c1	1123768561	BLMBTUSRTJBYSW-SECBINFHSA-N	318.398	3.226	10	20	DGCD	
CON(Cc1ccccc1Cl)C(=O)c1ccc(C)c(O)c1O	794345073	CNMYYBGEAJENML-UHFFFAOYSA-N	321.760	3.263	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)c1c(Cl)ccc(F)c1F	790049512	GZXNKZPOCINYLF-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
OCC[C@@H](Cc1ccccc1)NCc1c(O)ccc(Cl)c1F	799350653	WQJFVYORIQGMNX-ZDUSSCGKSA-N	323.795	3.268	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C=C3CCCC3)CC2)cc1	1319869654	GVUYURLHNDEFDF-UHFFFAOYSA-N	314.429	3.234	10	20	DGCD	
C[C@H]1CCc2nc(CNCCc3ccc(N)cc3)sc2C1	1326073919	BFDTWRYEFSQJEL-LBPRGKRZSA-N	301.459	3.182	10	20	DGCD	
Cc1ccc(C2(CNC(=O)NCc3ccc(N)cc3)CC2)c(C)c1	1336876767	JTTJXFCBVLTPCJ-UHFFFAOYSA-N	323.440	3.417	10	20	DGCD	
Cc1cccc(NCCNCc2ccc(N3CCCC3)cc2)n1	1333720082	WJBBJQCAITXJHU-UHFFFAOYSA-N	310.445	3.192	10	20	DGCD	
C[C@](CNCc1c(O)cccc1Cl)(C(=O)O)c1ccccc1	1604185788	SONPDZQJQOZXIM-QGZVFWFLSA-N	319.788	3.178	10	20	DGCD	
CC[C@@H](C)[C@H](C)C(=O)N(C)CCNCc1ccc(OC)c(C)c1	1753245611	DYAYRUZNFFKIFP-ZBFHGGJFSA-N	320.477	3.234	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCSC[C@@H](C)C2)c1O	190426722	YQGGURCPEMMYRD-JTQLQIEISA-N	313.850	3.433	10	20	DGCD	
CO[C@@H]1CCN(Cc2ccc(Br)cc2O)[C@@H](C)C1	701177177	WVAPNVQTXUFZAE-GXFFZTMASA-N	314.223	3.154	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1	877731863	XOLBPBFRODTHHH-HDJSIYSDSA-N	320.433	3.094	10	20	DGCD	
CO[C@@H]1CCCC[C@H]1NCc1ccc(Br)cc1O	1330278236	FBMXJEHUAPDIGO-TZMCWYRMSA-N	314.223	3.202	10	20	DGCD	
CC[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1	172688534	QWWFODWDBYKNKP-MVGZEHJDSA-N	312.344	3.438	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cccc(C)c2F)c1	179999385	MZYSKJLLYNUONM-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
C[C@H](N(C)C(=O)NCc1ccc(N(C)C)c(F)c1)C1(C)CC1	176465535	OXIUGHHXRFTCTQ-LBPRGKRZSA-N	307.413	3.222	10	20	DGCD	
COc1ccc(N(CC(=O)Nc2nccs2)C(C)C)cc1F	101567469	IEVGMXPJPWFYGZ-UHFFFAOYSA-N	323.393	3.144	10	20	DGCD	
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(Cc1cc(Cl)c(C)cc1O)C2	1261677666	YFNNMPUBTDQTHF-OSAQELSMSA-N	323.820	3.128	10	20	DGCD	
CCCOc1ccccc1NC(=O)c1ccc(C)c(O)c1O	177667739	BZYAOFQPNOQTON-UHFFFAOYSA-N	301.342	3.447	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(Cl)c1	183449705	KNLUAPIBSNPKJX-NSHDSACASA-N	319.788	3.041	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cccc(F)c1C	189433495	VLWFXHFTGKXWSD-UHFFFAOYSA-N	309.362	3.203	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H]3OCCC[C@@H]3C2)c1O	184695827	RYDHCBMZDNAAAC-BXUZGUMPSA-N	311.809	3.055	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@H]2c2cnn(C)c2)c(O)c1	131926228	GOWKKAGBIULUFB-KRWDZBQOSA-N	315.417	3.252	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(C)nc1	80266189	SWCKYUHMDNFNFT-UHFFFAOYSA-N	311.429	3.047	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCCCO2)cc1F	87334491	DBFCWLFYTLPPQN-HNNXBMFYSA-N	322.424	3.247	10	20	DGCD	
CCS[C@@H](C)c1noc(CN(C)Cc2ccccc2O)n1	137278578	QJSXUVAARCCHMY-NSHDSACASA-N	307.419	3.221	10	20	DGCD	
O=[N+]([O-])c1ccccc1NCc1ccc(N2CCOCC2)cc1	42796607	DUAVFZJTNWYMBI-UHFFFAOYSA-N	313.357	3.044	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](COCC)C(C)C	191816595	QNAKXIYDKXSTNZ-INIZCTEOSA-N	322.449	3.375	10	20	DGCD	
CCOc1ccc(OCCCC(=O)Nc2ccc(N)cc2)cc1	269114806	HCSJGBDPNPHATI-UHFFFAOYSA-N	314.385	3.465	10	20	DGCD	
CCCN(C)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	264038143	WZNHEJCGTANZPE-UHFFFAOYSA-N	302.418	3.387	10	20	DGCD	
CCOc1ccc(CNCc2cc(C)cc(Cl)n2)c(O)c1	800285603	MWJBDBAHGXICDX-UHFFFAOYSA-N	306.793	3.438	10	20	DGCD	
O=C1NCc2c(NCc3c(O)ccc(Cl)c3F)cccc21	808419495	IONWYUOIODJNPC-UHFFFAOYSA-N	306.724	3.040	10	20	DGCD	
COc1ccc(C)cc1[C@H](C)NC(=O)NCc1ccccc1O	299498687	LEESIVMAHPHIAL-ZDUSSCGKSA-N	314.385	3.270	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)C3=CCCCC3)C2)cc1	819589467	RHZDXXGDVDBNKU-OAHLLOKOSA-N	314.429	3.138	10	20	DGCD	
Cc1ncoc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	816707914	HPOWSGOGSQVIBY-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
COc1ccc(CNc2cnc(-c3ccccc3)cn2)c(O)c1	813605072	ILYMJLOOORPICV-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
CN(C)c1ccc(OCC(=O)N[C@@H](c2ccccc2)C2CC2)cc1	810000245	GFWIGNPQWLWEAH-FQEVSTJZSA-N	324.424	3.399	10	20	DGCD	
C[C@H](NCc1ccc2ccccc2c1O)c1nnc2ccccn12	816531258	LLWGLIRMLGALGQ-ZDUSSCGKSA-N	318.380	3.439	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C2CCCCC2)cc1)C1CNC1	817897182	GQBLSVRHXYNYIH-HNNXBMFYSA-N	301.478	3.153	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2)c(O)c1	815571879	PEMQXWDXPRAWDY-STQMWFEESA-N	316.367	3.296	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H]2CCNC3(CCC3)C2)c2c(O)ccc(F)c21	817984883	BITYIFDGAIQULH-MBNYWOFBSA-N	304.409	3.344	10	20	DGCD	
Cc1ccc(F)c(CCNCc2cc([N+](=O)[O-])ccc2O)c1	824978705	YUYZGKKNABMCHV-UHFFFAOYSA-N	304.321	3.080	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CSCCC(C)C)c1	728981816	FCMJVHNEVQWAHF-LBPRGKRZSA-N	311.447	3.357	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1nccc2[nH]ccc12	821841958	HUASSNRBXKNGDT-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccn(CC)n1	824926053	ATVHQMZAYLORTK-UHFFFAOYSA-N	302.378	3.053	10	20	DGCD	
COC(=O)[C@@H]1CCN(Cc2ccc3ccccc3c2O)C[C@@H]1C	827538098	NOUWZXYWFSOLAK-XJKSGUPXSA-N	313.397	3.176	10	20	DGCD	
Cn1nc(C(F)(F)F)cc1CNCc1cc(Cl)ccc1O	826139414	AZKFTHSXBAQZGY-UHFFFAOYSA-N	319.714	3.088	10	20	DGCD	
C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1(Cl)CC1	903449001	VEJFYRUTGYKNGB-BBRMVZONSA-N	309.885	3.105	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccccc1O	827936926	GVJBVTJWEPYDJL-ASUYLVSUSA-N	307.393	3.474	10	20	DGCD	
C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NCc1ccc(N(C)C)c(F)c1	733325269	HKVPUOXERXMMLD-OAGGEKHMSA-N	321.484	3.348	10	20	DGCD	
CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(Cl)cc(Cl)c1O	731853117	CFEBGRSZGBDQMC-LBPRGKRZSA-N	315.200	3.072	10	20	DGCD	
C/C(=C/C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1	839917830	ICGHWDMQKCCGML-QKXCFHHRSA-N	300.446	3.465	10	20	DGCD	
Cc1csc([C@@H](NC(=O)c2cc(O)cs2)C(F)(F)F)n1	833141572	DMWUPOAHTHUGHY-MRVPVSSYSA-N	322.333	3.252	10	20	DGCD	
COc1ccc(N(CC2CC2)C[C@H]2CC3(CCC3)C(=O)O2)cc1	831587872	NVVIGVIWYDRMKX-QGZVFWFLSA-N	315.413	3.397	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cc(C(=O)O)ccc2F)c1	833733513	JJGDMFCEFLWXGO-JTQLQIEISA-N	319.332	3.089	10	20	DGCD	
COc1cccc(CNCc2c[nH]nc2-c2cccc(C)c2)c1O	733900870	NTKRFINYYKTXTM-UHFFFAOYSA-N	323.396	3.389	10	20	DGCD	
CC(C)(C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1	740908698	YPSMYWQOFPAHSE-UHFFFAOYSA-N	301.434	3.298	10	20	DGCD	
CCCN(CC(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1	746975584	JVYGOLXUBFQRHU-UHFFFAOYSA-N	309.429	3.469	10	20	DGCD	
C[C@@H]1CCC[C@@H](OCC(=O)NCc2cc(Cl)ccc2O)C1	846477936	XVUNOYNIOKVRTL-BXUZGUMPSA-N	311.809	3.257	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cc(C3CC3)nn2C)c2c(O)ccc(F)c21	927100736	JBLWBGWAHCOYNO-ZUZCIYMTSA-N	315.392	3.480	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](CNC)C2)cc1F	843044152	FNHXIQXGRQXBLP-INIZCTEOSA-N	307.457	3.103	10	20	DGCD	
COc1cccc([C@H](C)NCC2(CN(C)C)CCCC2)c1O	846161961	DDDLMPPUHLBAIQ-AWEZNQCLSA-N	306.450	3.173	10	20	DGCD	
CN1CCc2cc(/C=C\c3ncc(/C=C/C(=O)O)s3)ccc21	751534103	GYJFFFGSCQAJTP-UCZKPGLMSA-N	312.394	3.404	10	20	DGCD	
COCC[C@@H](C)CNCc1cc(OC)cc(C(C)(C)C)c1O	850324324	JRQHROBPFRUIBA-CYBMUJFWSA-N	309.450	3.461	10	20	DGCD	
CCn1nc(C)c(CN[C@@H](C)c2cc(F)cc(F)c2O)c1C	756535634	NTAOAKRXJIRIMH-VIFPVBQESA-N	309.360	3.354	10	20	DGCD	
COc1ccc([C@H](NCc2ccc(N(C)C)cc2)C2CC2)cn1	858343119	XVZCOUJKHQRBQT-LJQANCHMSA-N	311.429	3.397	10	20	DGCD	
CN(C)c1ccc(OCC(=O)N2CCCc3ccccc32)cc1	757701082	AKTPTKXSKSBBSX-UHFFFAOYSA-N	310.397	3.111	10	20	DGCD	
CCOc1ccc(CN[C@H]2COc3cc(F)ccc3C2)c(O)c1	850382161	OQXDXHVUKXOEQT-OAHLLOKOSA-N	317.360	3.023	10	20	DGCD	
COc1ccccc1OCCN[C@H](C)c1cc(F)ccc1O	756374200	YWAAHVPSUXUJJW-GFCCVEGCSA-N	305.349	3.270	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2C[C@@]23CCOC3)c(C)n1-c1ccccc1	863166275	WIKJDXYMJBUVRD-AZUAARDMSA-N	324.424	3.137	10	20	DGCD	
CCCN(Cc1cc(Br)ccc1O)CC(C)(C)O	769326241	GMEFLBNIRXMQFO-UHFFFAOYSA-N	316.239	3.138	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H]3C[C@H]3C2)c1	862218960	PGQODMGNXLMISS-WBVHZDCISA-N	322.408	3.389	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H]1CN1CCCCC1	768938368	YUHGXPIGOCRARZ-MRXNPFEDSA-N	308.853	3.496	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc2ccccn12	865027082	GQTJRWHTLMNKJT-UHFFFAOYSA-N	322.412	3.063	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@@H](C)S1	769140205	DNVCAWIFGXNUTC-RKDXNWHRSA-N	316.810	3.280	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H](O)Cc1cccc(Cl)c1	877811752	VZEHJPFADSNVEN-HNNXBMFYSA-N	305.805	3.047	10	20	DGCD	
C[C@@H]1CC[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1	877491526	LKOKYELJIHHUCE-WBVHZDCISA-N	302.462	3.174	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1	773802500	VOBBRSHYHXSQIZ-APWZRJJASA-N	312.461	3.422	10	20	DGCD	
CCOc1ccc(CNCc2cc(C)cc(OC)c2O)cc1	894202762	KRBLZVAGKURIDN-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
c1ccc2c3c([nH]c2c1)C[C@H](NCc1ccc2c(c1)CCO2)C3	799717653	IUVTYLOILFMYIH-OAHLLOKOSA-N	304.393	3.360	10	20	DGCD	
C[C@@H](Cc1ccccn1)NCc1c(O)cccc1Br	706835327	SYNGPCWQVJFKTO-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
COCC1(NCc2ccc(N(C)C)cc2C(F)(F)F)CC1	793020918	FCVAOBZJGNXYOH-UHFFFAOYSA-N	302.340	3.040	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CCN(CC2CC2)C1	1337784973	HKYTZVHPJUTFHF-FVQBIDKESA-N	300.446	3.323	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCC[C@H](F)C2)c(C)n1-c1ccccn1	1261499186	DPJJFPWBAZSBPJ-GJZGRUSLSA-N	315.392	3.500	10	20	DGCD	
COCn1ncc(C)c1CN(C)c1ccc(OC(C)C)cc1	1352022833	RIOKFJIZDVVYGE-UHFFFAOYSA-N	303.406	3.219	10	20	DGCD	
Cc1cccc2c1CCN(Cc1ccc(N(C)C)cc1)[C@H]2C(=O)O	1777458954	RYUOALDFBFFDKM-LJQANCHMSA-N	324.424	3.245	10	20	DGCD	
CC(C)C1(CNC(=O)NCCCSc2nccs2)CC1	154400780	UFUDSFXZSOAZSB-UHFFFAOYSA-N	313.492	3.361	10	20	DGCD	
CC(C)(C)C[C@@H](CO)NCc1c(O)cccc1Br	706808657	WUBGKQAXSNFBIM-JTQLQIEISA-N	316.239	3.041	10	20	DGCD	
Cc1cc(C(=O)O[C@@H]2CCSC2)c(C)n1-c1ccccn1	103827860	HPFHSHHGTDOIRI-CYBMUJFWSA-N	302.399	3.151	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(C(C)C)CC2)c1	176032216	JFJGNSYMLSQLMB-LBPRGKRZSA-N	306.406	3.197	10	20	DGCD	
Cc1ccc(O)c([C@H](C)Nc2ccc(N3CCOCC3)cn2)c1	186250960	LVBJJMBYPKXGKI-AWEZNQCLSA-N	313.401	3.105	10	20	DGCD	
Cc1cc(O)c(CNC(C)(C)C(=O)NCC(C)(C)C)cc1C	121199323	YLXVSKTUVKQKLY-UHFFFAOYSA-N	306.450	3.040	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)[C@H]1CCCO1	128802724	IFJYJRMRMWMMNW-DOTOQJQBSA-N	320.433	3.271	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@@H](C)c2ccc(F)cc2O)cc1	185027461	OQCCFVITZAVAPO-LBPRGKRZSA-N	316.376	3.132	10	20	DGCD	
CN(CCOCC(F)(F)C(F)(F)F)Cc1ccccc1O	189663231	RWWDABDLHVPSIY-UHFFFAOYSA-N	313.266	3.038	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)Nc2nccs2)cc1	191597019	CBALGTZRHASJJB-UHFFFAOYSA-N	305.403	3.005	10	20	DGCD	
c1ccc2c(c1)CCN(Cc1ccc(N3CCOCC3)cc1)CC2	93385329	NDMLLDATJCWYTB-UHFFFAOYSA-N	322.452	3.124	10	20	DGCD	
C[C@H](CC[S@@](C)=O)N[C@H](C)c1cc2c(cc1O)CCCC2	273486763	NHVYBQDZANUGEQ-SQHYZVFZSA-N	309.475	3.079	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@H](O)c2cc(F)cc(Cl)c2)c1	278302155	AAUYYZBSGCJJCS-MRXNPFEDSA-N	309.768	3.316	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H]2CCO[C@@H](C)C2)c1O	271794038	HLUOXRMNHCCOHL-GXFFZTMASA-N	314.223	3.120	10	20	DGCD	
Cc1onc(-c2cccnc2)c1C(=O)N1CCc2c(F)cccc21	376097621	ZSGKMYJEUPAIOZ-UHFFFAOYSA-N	323.327	3.387	10	20	DGCD	
CC[C@@H](N[C@@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1O	376861887	VKPWYYGIFNNLNK-BXUZGUMPSA-N	305.809	3.367	10	20	DGCD	
OC[C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H]1C(F)(F)F	289238479	DLWJZXKUAABADK-ONGXEEELSA-N	323.742	3.038	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2c2ncc[nH]2)c1O	375346509	ZLJFEJNDIMSIBE-LLVKDONJSA-N	322.752	3.014	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)nsc1C	293251271	IHPBXUSQOYNETH-UHFFFAOYSA-N	317.458	3.488	10	20	DGCD	
CC[C@H]1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O1	807835308	FJBNYQVQEKAOOS-JQWIXIFHSA-N	318.200	3.273	10	20	DGCD	
O=C(NCCn1ccc2cc(Cl)ccc21)c1cc(O)cs1	807665845	FQWSJJLGRFFHKU-UHFFFAOYSA-N	320.801	3.492	10	20	DGCD	
C[C@@H](NCCC[C@@H]1CCCN1)c1cc2c(cc1O)CCCC2	817979530	BQRGSTYEFBBFFS-RHSMWYFYSA-N	302.462	3.454	10	20	DGCD	
CC[C@@H](NC1CCNCC1)c1cc(Cl)cc(Cl)c1O	817936891	SBKGMKGNSWERBV-CYBMUJFWSA-N	303.233	3.492	10	20	DGCD	
CC[C@H](NCC(F)(F)CN)c1ccc(C(F)(F)F)cc1O	817968364	QPBCFFGKFZEDCE-JTQLQIEISA-N	312.282	3.046	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3cccs3)C2)cc1	818220411	JWWRBEHVTWDQDL-CQSZACIVSA-N	302.443	3.373	10	20	DGCD	
CC[C@@H]1CN(C)CCN1Cc1ccc(N2CCCCC2)cc1	816660703	MTJRXVYDVMKESV-GOSISDBHSA-N	301.478	3.203	10	20	DGCD	
CC[C@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C	727941324	QMSMMUVTSSCQAN-INIZCTEOSA-N	301.434	3.153	10	20	DGCD	
CCC[C@H](OC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	823196114	WMHHYRZXQZQZLT-SFHVURJKSA-N	318.461	3.354	10	20	DGCD	
COC(=O)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)c(C)c1	827684438	DQYAYKXYOZBRQP-SFHVURJKSA-N	316.445	3.123	10	20	DGCD	
COc1ccc(N(Cc2nc(C(F)F)no2)CC2CC2)cc1	823215638	KXQJIPMFNWXOCS-UHFFFAOYSA-N	309.316	3.432	10	20	DGCD	
CC[C@@H](N[C@H](C)CC(=O)NC)c1cc(Cl)cc(Cl)c1O	834901565	WASNRZSGGUGERC-PRHODGIISA-N	319.232	3.264	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CC[C@@H]3SCCS[C@H]31)CC2	834697181	HBUUCTSCBAYXJN-HLSYRSCKSA-N	307.484	3.349	10	20	DGCD	
C[C@@H](N)[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	843046674	YWAADUWUUYTZKT-APWZRJJASA-N	301.478	3.379	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1O	841765071	UPTNFXOHLFGIGP-SGMGOOAPSA-N	324.852	3.343	10	20	DGCD	
Cc1noc([C@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1	747322381	BNBMXENCCNYQJU-ZDUSSCGKSA-N	324.384	3.277	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2cnc[nH]2)c1C	747973699	DHSZCZMNTBRYDB-UHFFFAOYSA-N	308.385	3.056	10	20	DGCD	
CCCCN1CCCC[C@@H]1CNC(=O)Nc1ccc(N)cc1	841299453	DNZJDSOALLBMBI-MRXNPFEDSA-N	304.438	3.045	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@H](C)c2ccc(Cl)cc2O)cc1	841744504	OWYOKULIBXVCEK-DIFFPNOSSA-N	321.804	3.438	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc(CF)cc1	759588444	LMVSOUDWGNXAFT-VURMDHGXSA-N	302.301	3.324	10	20	DGCD	
OC[C@H](NCc1ccccc1O)c1ccccc1C(F)(F)F	922984534	LZSZQGWUKUARNH-AWEZNQCLSA-N	311.303	3.234	10	20	DGCD	
C[C@H](NC[C@@H](C1CC1)N(C)C)c1cc2c(cc1O)CCCC2	756434409	XALYFNUYNVKVDJ-UGSOOPFHSA-N	302.462	3.262	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(F)cc(F)c1O	756797142	OQIQPYCFPKRBSW-MRVPVSSYSA-N	320.295	3.174	10	20	DGCD	
C[C@@H](N[C@@H](CCO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O	756660181	KJIGIIVNAKOEEU-WBMJQRKESA-N	322.405	3.282	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)[C@H](O)c1cccc(F)c1	921818127	XQVGUZBRAIRZLR-YJYMSZOUSA-N	315.388	3.362	10	20	DGCD	
Cc1csc([C@@H](C)C(=O)NCc2cc(Cl)ccc2O)n1	855022909	MFINXDFTOJDEKO-VIFPVBQESA-N	310.806	3.230	10	20	DGCD	
CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C)c(O)c1O	768612862	XAJKABQTKBWBDL-OAHLLOKOSA-N	311.381	3.383	10	20	DGCD	
CC(=O)Nc1cccc(CNCCCSc2nccs2)c1	865468377	HAKDSWCZMNDSRV-UHFFFAOYSA-N	321.471	3.374	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCCN2CCCC2)cc1	760808387	JZRPIZNRBNHXHC-UHFFFAOYSA-N	303.494	3.451	10	20	DGCD	
CC[C@@H](NC[C@](C)(O)COC)c1ccc(Cl)c(Cl)c1O	775503123	BQGBGCUFKLIMNX-RISCZKNCSA-N	322.232	3.137	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@](O)(c3ccc(F)cc3)C2)c1	776767600	DWWIFYDVGGWMCX-LJQANCHMSA-N	315.388	3.242	10	20	DGCD	
Cc1cnn(-c2ccncc2NCc2ccc(N(C)C)cc2)c1	776253311	VWBRKFCNXHNCHD-UHFFFAOYSA-N	307.401	3.254	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1	773016272	AQJZAEZRZUDQSY-KSSFIOAISA-N	324.424	3.496	10	20	DGCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C1(F)CCCC1	772237673	POWJGUVLEDEZJS-UHFFFAOYSA-N	322.449	3.138	10	20	DGCD	
CNC(=O)c1ccc(CN(Cc2cccc(C)c2O)C2CC2)cc1	775648617	DYVWDSLOGNPFSM-UHFFFAOYSA-N	324.424	3.225	10	20	DGCD	
CCSc1cc(CNCc2cc(F)cc(F)c2O)ccn1	883092898	CMVGTSXMVCRRKY-UHFFFAOYSA-N	310.369	3.467	10	20	DGCD	
COc1ccc(CNc2cnc3c(c2)CCCC3)c(O)c1OC	893499296	BRILOGYXMWOVAO-UHFFFAOYSA-N	314.385	3.295	10	20	DGCD	
COc1ccccc1CNCc1cc(Cl)cc(OC)c1O	76274316	PBZPHRNWASTZJR-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
Cc1ccc(NCCNCc2cc(Cl)cc(F)c2O)nc1	897182202	WRCIEHJIXQKBDT-UHFFFAOYSA-N	309.772	3.090	10	20	DGCD	
CO[C@@H](C)CN(C)CC(=O)c1cc(C)n(-c2ccccc2)c1C	796641949	NHKCWOJAYJUPEB-HNNXBMFYSA-N	314.429	3.244	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3cc(C)ccn3)CC2)cc1	1206853750	ZLGQINTUYYEMTR-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nccc(Cl)c2F)c1	1320798671	RAOJNHHNIGJMMV-QMMMGPOBSA-N	324.739	3.079	10	20	DGCD	
CC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(N)cc1	1346738958	LHECNJPXFKYLIA-SFHVURJKSA-N	309.413	3.488	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@@H]1c1ccccc1	1347234918	RXEOMUFWMXYMRX-HZPDHXFCSA-N	311.381	3.298	10	20	DGCD	
O=C(O)c1cc(NCc2cccc(F)c2O)c2ncccc2c1	1608857181	QFBOUBQKJQKQFT-UHFFFAOYSA-N	312.300	3.390	10	20	DGCD	
CCCCN(C(=O)c1cccc2c1CCNC2)c1cccnc1	1577441803	GTAPRIZPSGQWFY-UHFFFAOYSA-N	309.413	3.174	10	20	DGCD	
CC[C@](NCc1cc(F)ccc1O)(C(=O)O)c1ccccc1	1595299335	PVRRJGRGAKCSDW-QGZVFWFLSA-N	303.333	3.011	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)c1ncccc1C(=O)O	1777071241	IPZSQOJCCWNVJB-UHFFFAOYSA-N	311.385	3.016	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CC[C@@](C)(C(=O)O)C2)cc1	1776861199	NTQQEUGXJSHIAL-MAUKXSAKSA-N	304.434	3.266	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1	153424851	DCOXYWUOXWMROR-MAEOIBBWSA-N	312.413	3.127	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccn(C)n2)c1C	55415448	CRVVSUKJECJNDE-UHFFFAOYSA-N	308.385	3.388	10	20	DGCD	
COC(=O)C[C@@H]1CCCN1Cc1cc(C(C)C)c(C)cc1O	178775505	LPRJSVRXGARMPO-HNNXBMFYSA-N	305.418	3.352	10	20	DGCD	
COc1ccc(N2CCN(C(=O)Nc3ccsc3)CC2)cc1	177706928	NCUBCDQXDMUGDI-UHFFFAOYSA-N	317.414	3.111	10	20	DGCD	
CCc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1	128512019	HKFGXQLRGDWZAZ-UHFFFAOYSA-N	300.358	3.024	10	20	DGCD	
Cc1ccc([C@@H](C)NC2CCN(CC(F)(F)F)CC2)c(O)c1	185291489	OXZRJDPAWXTCBX-GFCCVEGCSA-N	316.367	3.378	10	20	DGCD	
C[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1cc2c(cc1O)CCCC2	185217994	DJHKBUPALAPOAE-QWHCGFSZSA-N	318.461	3.225	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccn(-c3ccccc3)n2)c1	182390155	JTSLXMHBZAYVMD-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
CCC1(CC)[C@@H](NC(=O)N(C)Cc2ccccc2O)C[C@H]1OC	123734235	DMMBXMOJXWXWKO-JKSUJKDBSA-N	320.433	3.127	10	20	DGCD	
Cc1ccc(O)c(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1	127151545	KPWSEKDBMXQMCP-HNNXBMFYSA-N	322.412	3.474	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](c2cccs2)N(C)C)c1	192940849	FSJUNPIHUIHQTM-IUODEOHRSA-N	320.458	3.416	10	20	DGCD	
COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1O	237374657	AYSXOAPVQGLROX-UHFFFAOYSA-N	314.360	3.354	10	20	DGCD	
c1ccc2[nH]c(NCc3ccc(N4CCOCC4)cc3)nc2c1	270588806	SCOVGUWAYJMNDI-UHFFFAOYSA-N	308.385	3.012	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2cc(C)n(C)n2)cc1	282062853	GVAZUODFIFRAIH-HNNXBMFYSA-N	300.450	3.426	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)c1ccccc1	808095017	ORIKFQDKIJRORW-UHFFFAOYSA-N	318.413	3.472	10	20	DGCD	
CC[C@@H](NC[C@@](C)(O)COC)c1cc(Cl)cc(Cl)c1O	806139057	HTWGBWWTICEVMG-TZMCWYRMSA-N	322.232	3.137	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1F	800331570	YNSSFUHJAUJNCN-OGHNNQOOSA-N	322.424	3.102	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	383586748	BCYHOFXFRMFCGL-BVKQBWKVSA-N	304.346	3.317	10	20	DGCD	
O=C(Nc1c[nH]nc1-c1ccccc1F)c1cc(O)cs1	802626141	KYMSDQFOAJRKGD-UHFFFAOYSA-N	303.318	3.235	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCCNc2ncccn2)c1O	808701026	NYFCOQMENMDXIK-LBPRGKRZSA-N	320.824	3.297	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2cccnc2F)C2CC2)cc1	806423290	OIRCSWSVJLIVHI-UHFFFAOYSA-N	313.376	3.092	10	20	DGCD	
CCN(CC)c1ccc(CNCc2snnc2C)cc1F	291663483	FIMHPGPUEBUFRC-UHFFFAOYSA-N	308.426	3.122	10	20	DGCD	
CCCN(CCCN(C)C)Cc1cc(Cl)c(F)cc1O	816610833	ANQJRHGSWUUXHS-UHFFFAOYSA-N	302.821	3.348	10	20	DGCD	
CCn1nc(C)c(CNCc2cc(Cl)c(F)cc2O)c1C	816546015	RPWZEVMBROUEIS-UHFFFAOYSA-N	311.788	3.308	10	20	DGCD	
Oc1c(CN2C[C@@H](O)Cc3ccccc32)ccc2ccccc12	816593880	HNYNAUCXEWMGAK-KRWDZBQOSA-N	305.377	3.469	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3CCC[C@H]3[C@H]3CCCN3)ccc21	817901769	YHSDSKCOXUXYOW-IPMKNSEASA-N	313.489	3.079	10	20	DGCD	
OC[C@H](Cc1ccccc1)NCc1ccc2ccccc2c1O	816586131	ATNOSMZIROJNPA-SFHVURJKSA-N	307.393	3.239	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC2CCCCCC2)c1O	824790658	ZUEKVTIVWDYJHP-UHFFFAOYSA-N	308.378	3.369	10	20	DGCD	
C[C@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1O	724927925	YHOJPXKCGLTMBD-AAEUAGOBSA-N	324.396	3.191	10	20	DGCD	
C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1cc(Cl)ccc1O	903440636	RNLSVBIIMRVJFK-IGGJQXEISA-N	303.789	3.355	10	20	DGCD	
CC(C)(CN1CCCC1)NCc1cc(Cl)c(F)cc1O	825325664	GROVEBAHJGGGMB-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
CCc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1CC(C)C	827940367	CCUDVVXXPLPEKQ-CYBMUJFWSA-N	315.417	3.298	10	20	DGCD	
CC(C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1	588406810	YBKXHYCSVSMGEL-WMZJFQQLSA-N	315.344	3.302	10	20	DGCD	
CCC(CC)[C@H](CNCc1ccc(N(C)C)c(F)c1)N(C)C	733324145	JSOVTAPMSMXOON-SFHVURJKSA-N	309.473	3.348	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccoc2C(=O)O)cc1F	833654204	GUWFSIUKHPIELI-UHFFFAOYSA-N	320.364	3.253	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H](OC)C1CC1	838702051	RHMVSESWNKBYNZ-CXAGYDPISA-N	320.433	3.127	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCCC[C@@H]1[C@H](O)c1ccccc1	912101234	OSAMBYJWABVDRB-GDBMZVCRSA-N	317.410	3.182	10	20	DGCD	
CC[C@@H](C)CSCC(=O)N(C)Cc1ccc(N(C)C)cc1	840198090	KQXJGEMXZHQHNS-CQSZACIVSA-N	308.491	3.490	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@@]12CCCc1ccccc12	910950148	DETHFAQFAAKJDJ-FXAWDEMLSA-N	323.392	3.008	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](C)c2cc(Br)cc(F)c2O)CO1	842928901	KYZDMPUVNATART-MRTMQBJTSA-N	318.186	3.122	10	20	DGCD	
CO[C@](C)(C1CC1)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	840859946	QKKRFYJZESWWOB-GDLVEWKHSA-N	308.378	3.155	10	20	DGCD	
C[C@H](CC1CCCC1)C(=O)N(CC(=O)O)Cc1ccccc1O	911484351	BFCCSIYIEWMFRV-CYBMUJFWSA-N	319.401	3.022	10	20	DGCD	
CC(C)[C@H](C)SCC(=O)N(C)Cc1ccc(N(C)C)cc1	840201684	OURPHTKNERYCGH-AWEZNQCLSA-N	308.491	3.489	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CNCCC[C@H]1CCCN1	841071761	AQAJGALQSQJFNI-SFHVURJKSA-N	301.478	3.299	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H]2[C@@H]2CCCOC2)c1O	842612572	JVFAPCDLSDNEMI-ZBFHGGJFSA-N	305.418	3.100	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@H]1CCCN(CC2CC2)C1	853093306	IMIYNOUNYJMKMZ-CQSZACIVSA-N	308.853	3.257	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@H]2C2CC2)c1	858537120	MNUHMHNGXMUHKN-ZBFHGGJFSA-N	302.418	3.326	10	20	DGCD	
OC1CCN(c2ccc(CNc3nc4ccccc4o3)cc2)CC1	853954573	KHSNPWKZXWNDLG-UHFFFAOYSA-N	323.396	3.401	10	20	DGCD	
COCCCOc1cccc(NC(=O)c2cc(O)cs2)c1	751070460	UXXDMMUELSUMGJ-UHFFFAOYSA-N	307.371	3.121	10	20	DGCD	
Cc1cc(CNC(C)(C)C(=O)OC(C)(C)C)ccc1N(C)C	859961580	MRFIFQUEYHKIJE-UHFFFAOYSA-N	306.450	3.271	10	20	DGCD	
CO[C@@](C)(C1CC1)[C@H](C)NCc1cc(F)c(N(C)C)cc1F	858177293	OBSQOWVHXHHDSW-APPDUMDISA-N	312.404	3.324	10	20	DGCD	
CCCC(=O)N1CCC[C@H](CNCc2ccc(OC)c(C)c2)C1	1023805620	ULAAJLQPMVEKRD-QGZVFWFLSA-N	318.461	3.132	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1F	757851037	BKRIPFPZZZRIPY-XJKCOSOUSA-N	322.424	3.211	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1c1cccs1)[C@@H](O)CO2	768442096	OUXNDXDYGKQGSR-HIFRSBDPSA-N	317.410	3.217	10	20	DGCD	
Cc1cccc(O)c1CNC[C@]1(CO)C[C@@H]1c1ccc(F)cc1	877476484	FZIXITUIGSEABM-MJGOQNOKSA-N	315.388	3.096	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1	876817886	OIDYFSYLRREBGZ-AWEZNQCLSA-N	312.417	3.076	10	20	DGCD	
C[C@@H](NCC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccccc1O	879648120	ZAFJIQYJEYZTQL-HLLBOEOZSA-N	316.445	3.224	10	20	DGCD	
COc1cc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2cc1C	772176982	IQXOGDMDIQQPFS-UHFFFAOYSA-N	323.396	3.384	10	20	DGCD	
C[C@H](NC(=O)NC[C@@H]1CCCS1)c1ccc(N(C)C)cc1	773375806	MDMUKFQWLMEGGH-WFASDCNBSA-N	307.463	3.008	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C(=O)OC(C)(C)C)C(C)C)cc1C	776251347	BUHNBSVMEVQTDI-INIZCTEOSA-N	307.434	3.465	10	20	DGCD	
Cc1cnc([C@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)o1	771445569	WVZRXSISIJVBIX-HNNXBMFYSA-N	315.417	3.013	10	20	DGCD	
C[C@@H](CC(F)(F)F)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773447417	IVGPOZAINUGEFC-WDEREUQCSA-N	317.355	3.454	10	20	DGCD	
CCCC(=CC(=O)OCC(=O)c1ccc(O)c(O)c1)CCC	784504932	HJNBJAMPSOWMST-UHFFFAOYSA-N	306.358	3.350	10	20	DGCD	
COCCN(Cc1ccc(C)o1)Cc1cc(F)cc(F)c1O	894068185	QVJCTFFNTRETHT-UHFFFAOYSA-N	311.328	3.220	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)c1O	894366325	LPTNLNJYJQMNLF-ZBFHGGJFSA-N	307.434	3.393	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC4(CCO4)CC3)c2c1	799954837	DEEGPWFXCDDYLY-UHFFFAOYSA-N	313.397	3.309	10	20	DGCD	
O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc(O)cs1	798122354	WKOBOKFAQLEVTC-GZMMTYOYSA-N	313.300	3.157	10	20	DGCD	
C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@H](C2CC2)O1	794661318	ZCRXWSVQQYBNAG-BFUOFWGJSA-N	301.430	3.270	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](CCO)Cc2ccccc2)c1	799732427	YOETUJGNJQBMAD-GDBMZVCRSA-N	315.413	3.045	10	20	DGCD	
C[C@H]1C[C@H](NCc2cc(Br)cc(F)c2O)CS1	715768170	CACVMFSXYQUIKQ-XVKPBYJWSA-N	320.227	3.277	10	20	DGCD	
O=C(NC/C=C\C1CC1)NCc1c(O)ccc2c1CCCC2	1324734992	JIOUHOBEHOPEQX-ARJAWSKDSA-N	300.402	3.036	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N(CC1CC1)C1CCC1	1339459087	VYLPEWFWPOWCSF-UHFFFAOYSA-N	304.419	3.018	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCc2c(cccc2C(=O)O)C1	1607667405	GRTUOPUYDBKWSS-UHFFFAOYSA-N	324.424	3.318	10	20	DGCD	
Cc1cccc([C@@H](NCc2cccc(Cl)c2O)C(=O)O)c1	1594398040	PNVWJHCYJVBMSX-CQSZACIVSA-N	305.761	3.270	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	155815202	AMGJHNVOFOXYQL-UKRRQHHQSA-N	320.433	3.442	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@H]3CC=CCC3)CC2)cc1	55877440	NYECAFLHUQJJKF-INIZCTEOSA-N	314.429	3.090	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)CSC	179957754	HQLMTRBUJFNWSE-CQSZACIVSA-N	310.463	3.455	10	20	DGCD	
COc1ccc(N(Cc2nc([C@@H](C)OC)no2)C(C)C)cc1F	177668105	YOLBNODWLXFIPK-LLVKDONJSA-N	323.368	3.340	10	20	DGCD	
C[C@H]1CC[C@@H](CCC(=O)NCc2ccc(N3CCCC3)cc2)O1	175369324	PNWXEWALNCWDDG-YJBOKZPZSA-N	316.445	3.251	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1nccs1	174245787	CUESYLYUCTXTSG-UHFFFAOYSA-N	303.387	3.049	10	20	DGCD	
Cc1ccc(O)c(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1	127151770	KPWSEKDBMXQMCP-OAHLLOKOSA-N	322.412	3.474	10	20	DGCD	
C[C@H](N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccccc1O	183613125	YAPIDBDMKVXHEM-ZQIUZPCESA-N	310.397	3.237	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(F)cc2C#N)c1	182448042	LTGZORPNZDOSLA-LLVKDONJSA-N	300.333	3.262	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@@H]1CCO)c1cc2c(cc1O)CCCC2	188002176	MAUXOPCQMKRLOT-IYOUNJFTSA-N	303.446	3.473	10	20	DGCD	
C[C@H]1CC[C@@H](C)CN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	316493609	VYMBFOFIFQBEAV-OWVOXGNYSA-N	304.346	3.317	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccccc1	180826657	VICGHQFUCQZQKK-DDUKQJAGSA-N	309.365	3.331	10	20	DGCD	
Oc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1	325961321	RJXRTRHMNAAFMR-UHFFFAOYSA-N	317.352	3.133	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@H](C)c2ccc(F)cc2O)cc1	191593619	DRFZDYJUZUYPES-CZUORRHYSA-N	303.377	3.094	10	20	DGCD	
COCCOc1ccccc1CN(C)Cc1ccccc1O	91974555	KVMDVUMQEXAUOE-UHFFFAOYSA-N	301.386	3.049	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H](O)Cc1ccccc1)c1cc(F)ccc1O	248534327	ZRVABIVGMVORPY-JCGVRSQUSA-N	303.377	3.174	10	20	DGCD	
CCC[C@@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	264785059	UZPOHTRGXHSHHI-YCABEKBOSA-N	316.445	3.183	10	20	DGCD	
CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1	269628095	DGXMRWCJVABJFE-QGZVFWFLSA-N	316.357	3.163	10	20	DGCD	
CC[C@H](NCCOCC(F)(F)C(F)F)c1ccccc1O	276205180	JXQOARKHVGZSPH-NSHDSACASA-N	309.303	3.350	10	20	DGCD	
CNC(=O)[C@H]1CCCCN1Cc1cc(-c2ccccc2)ccc1O	271091340	WQFQHIFVBQURSX-GOSISDBHSA-N	324.424	3.160	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)C(C)(C)C)cc1F	277200696	GLLTUYYKOXNPDB-OAHLLOKOSA-N	310.413	3.261	10	20	DGCD	
CCOc1cccc(CN2CCCC[C@@H]2c2cc[nH]n2)c1O	289356177	JUWBVCLCQYYRDD-OAHLLOKOSA-N	301.390	3.241	10	20	DGCD	
CCn1ccnc1[C@@H]1CCCCN1Cc1cc(F)ccc1O	370703163	YVNJHXIWHMKFMN-HNNXBMFYSA-N	303.381	3.475	10	20	DGCD	
Cc1nn(C(C)C)cc1CN(C)Cc1ccc(N(C)C)cc1	281784951	XLAYDGFJASIAMG-UHFFFAOYSA-N	300.450	3.470	10	20	DGCD	
Cn1ncc(NC(=O)NCc2ccccc2O)c1-c1ccccc1	806776402	ITEZTYZPTCBEJS-UHFFFAOYSA-N	322.368	3.114	10	20	DGCD	
CCN(Cc1noc(C(C)C)n1)c1ccc(OC)c(OC)c1	299270344	JKEDHVBPULSHOC-UHFFFAOYSA-N	305.378	3.237	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)C[C@H](C)[S@]1=O	809700621	KRHNUBSMTWAHBF-QXATTWAWSA-N	322.518	3.264	10	20	DGCD	
COc1cccc(CN[C@H]2Cc3ccc(Cl)cc3C2)c1O	800287929	CWWRPWGFLIBEBM-HNNXBMFYSA-N	303.789	3.311	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1	290452489	MLXQQZYLPVEZGJ-INIZCTEOSA-N	315.417	3.468	10	20	DGCD	
Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](N)c1ccc(N(C)C)cc1	817938557	MZMAICANSUOCOG-UXHICEINSA-N	309.457	3.338	10	20	DGCD	
COc1cc(COc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1F	810001196	ZZPUJZZCUZXYIX-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ncc(C)o2)cc1	813798365	BRDQRDQGKIHWIT-UHFFFAOYSA-N	301.390	3.101	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)C3CC(C)(C)C3)C2)cc1	819590599	LGSRRKJYRKJPGB-AWEZNQCLSA-N	316.445	3.074	10	20	DGCD	
CCn1ccnc1[C@@H](C)NCc1ccc(Br)cc1O	826074522	CVJYTROLADMFBW-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
Oc1ccc(Br)cc1CN1CC(CC(F)F)C1	822520887	QZFZUPMYESMADL-UHFFFAOYSA-N	306.150	3.242	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1nccc2occc12	821842757	OBTQSVKOWHCYSG-UHFFFAOYSA-N	321.380	3.358	10	20	DGCD	
COc1ccc(CN[C@]2(C(=O)O)CCc3ccccc32)cc1C	901667059	WCXUXHVDKIKNQZ-LJQANCHMSA-N	311.381	3.020	10	20	DGCD	
COC[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	838558890	HQXBWCIHLRHLDL-RHSMWYFYSA-N	319.449	3.024	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(OC)c2C)c1	830540595	MEJSRUMCPFTBNF-LBPRGKRZSA-N	315.369	3.209	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc3n[nH]cc3c2)cc1	746589675	OYZSMFWAMXRZOF-UHFFFAOYSA-N	322.412	3.339	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1O	846161353	YAXRVQFVVYWUMS-MZTNWIODSA-N	317.429	3.399	10	20	DGCD	
CC[C@@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccccc1O	840881064	NLUJEESTJQLWQZ-WMLDXEAASA-N	303.377	3.348	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CN2[C@@H](C)CC[C@H]2C)cc1	746134257	OWRPMJCLPAIYFO-IYBDPMFKSA-N	317.477	3.022	10	20	DGCD	
CCc1cccc(CNCCn2c(C)nc3ccccc32)c1O	848891800	ZQXWOHDSEHIVCJ-UHFFFAOYSA-N	309.413	3.403	10	20	DGCD	
Nc1ccc(NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)cc1	841297087	NCLLNUSKRSJSCD-HNNXBMFYSA-N	303.406	3.272	10	20	DGCD	
CC[C@@H](CNC(=O)c1cc(O)cs1)Oc1ccccc1F	748859362	KEEISKZNQNAWDI-NSHDSACASA-N	309.362	3.180	10	20	DGCD	
CCc1cccc(CNCCc2cccc(OC)c2OC)c1O	848895782	XSWNKBZOHBCQPF-UHFFFAOYSA-N	315.413	3.304	10	20	DGCD	
CCCCS(=O)(=O)N(C)Cc1ccc(N(CC)CC)cc1	919725082	SZXZUHQDYFMMLX-UHFFFAOYSA-N	312.479	3.095	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C=C3CCCC3)CC2)cc1	917824239	OYHNMVCVZZDKER-UHFFFAOYSA-N	314.429	3.234	10	20	DGCD	
Fc1cc(CNCCCC(F)(F)F)ccc1N1CCOCC1	743495390	FCMDNDYKXOSBBO-UHFFFAOYSA-N	320.330	3.094	10	20	DGCD	
C[C@H](NCc1cnc2n1CCCC2)c1ccc(Cl)cc1O	841750677	ABDNZYKZXSYACC-NSHDSACASA-N	305.809	3.429	10	20	DGCD	
C[C@@H](NCCn1cnc2ccccc21)c1cc(F)cc(F)c1O	756481942	HBHIVBYAWCPNOH-LLVKDONJSA-N	317.339	3.371	10	20	DGCD	
CC(C)(C)CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856211432	PSQRVDFJSRNNNL-UHFFFAOYSA-N	318.461	3.090	10	20	DGCD	
CS[C@@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863166493	VHCXWYWKCWMEGZ-AWEZNQCLSA-N	302.443	3.462	10	20	DGCD	
C[C@@H](NC(=O)NCC(C)(C)c1ccccn1)c1ccccc1O	868661171	FXUIXXPWSQJQHN-CYBMUJFWSA-N	313.401	3.125	10	20	DGCD	
COc1cccc(CN2CCCO[C@@H](c3ccccc3)C2)c1O	769318307	UHLHTGASZNJMLF-GOSISDBHSA-N	313.397	3.364	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1	768286483	LGYLNBYOYBDTIP-RYUDHWBXSA-N	321.298	3.229	10	20	DGCD	
Cc1cc2ncc([C@H](C)NCc3ccc4c(c3)CCO4)c(C)n2n1	772447702	MHKKNXDKKOVCKK-ZDUSSCGKSA-N	322.412	3.132	10	20	DGCD	
COC[C@@H](NCc1ccc2c(c1)CCCN2C)C1CCCC1	783229855	JAPCDMJMCPVHMD-GOSISDBHSA-N	302.462	3.364	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](CC(F)(F)F)C(C)C)c(O)c1O	783870645	YFOWKQBUTYUALB-SNVBAGLBSA-N	305.296	3.113	10	20	DGCD	
COc1ccc(CN[C@@H](C)Cc2ccsc2)c(O)c1OC	892660832	WGOXYMFQJIWBRN-NSHDSACASA-N	307.415	3.192	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC(C)(C)C2)cc1F	788988852	HNLCZIAWFDTGBD-UHFFFAOYSA-N	307.413	3.223	10	20	DGCD	
COc1ccc(CNC(=O)Nc2c(C)cccc2F)c(O)c1	797639817	CSQRJJUUCMNKQC-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
Cc1ccn(-c2ccc(NCc3cc4c(cc3O)OCO4)cc2)n1	790651172	DASIFKLWWZNTQI-UHFFFAOYSA-N	323.352	3.227	10	20	DGCD	
CCc1nc([C@H](C)N[C@H]2C[C@H](C)c3c(C)ccc(O)c32)n[nH]1	1254728943	AIJDFSPXADFSHV-SRVKXCTJSA-N	300.406	3.280	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cccnc1N(C)C	1347131001	YAXRSUGVYBTVQH-UHFFFAOYSA-N	312.461	3.236	10	20	DGCD	
Cc1cccc(CCNCc2cc(F)c(N(C)C)cc2F)n1	1348271572	PLOCHVRTKOBRHZ-UHFFFAOYSA-N	305.372	3.067	10	20	DGCD	
CC(C)O[C@H]1C[C@@H](NCc2ccc(Br)cc2O)C1	1261677174	IRZYKHSHBHPIPK-BETUJISGSA-N	314.223	3.200	10	20	DGCD	
Cc1ccc(NC(=O)CSc2ncc(C(=O)O)s2)c(C)c1	1600449017	DERFROUOOPNBLM-UHFFFAOYSA-N	322.411	3.189	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)Cc2cc(OC)c(OC)cc2O)C1(C)C	160285230	MOEJHRSHFUTUID-SJORKVTESA-N	323.433	3.045	10	20	DGCD	
Cc1ccc(CNC(=O)COc2ccc(N3CCCC3)cc2)cc1	178191285	SZJIMFQTHDYURB-UHFFFAOYSA-N	324.424	3.290	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1ccc(OC(F)F)c(Cl)c1	171764702	BDJTXVPNPJGXJE-XBXARRHUSA-N	321.757	3.430	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]2C2CC2)cc1F	176036286	RQFVSOMQLCDTTM-GJZGRUSLSA-N	304.409	3.334	10	20	DGCD	
C[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1F	63255955	CIABXSKHXWTFQT-VIFPVBQESA-N	307.296	3.250	10	20	DGCD	
Cc1cnc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)s1	176361403	KBOCVRGVEABHDF-LBPRGKRZSA-N	318.446	3.078	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCO[C@]3(CCSC3)C2)c1	186136187	IXMSDKDPYGHRFX-CKEIUWERSA-N	307.459	3.406	10	20	DGCD	
CC(C)N(C)c1cccc(NC(=O)c2cccc(O)c2O)c1	188458460	APWPQFLRSVPTDW-UHFFFAOYSA-N	300.358	3.195	10	20	DGCD	
COCCOc1ccc(CN[C@@H](C)c2cc(F)ccc2O)cc1	185012637	YGEJTIZMTNTZBM-ZDUSSCGKSA-N	319.376	3.407	10	20	DGCD	
CCSCC[C@H](C)N(C)Cc1cc(OC)c(OC)cc1O	180670832	PNWKHMZQXDWBPR-LBPRGKRZSA-N	313.463	3.373	10	20	DGCD	
C[C@H](NCCc1cccnc1)c1ccc(Br)cc1O	184980590	UYEDXWSTLRFUGU-NSHDSACASA-N	321.218	3.443	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(F)cc2F)c1	131350402	PJZMOFOFXDMVMU-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
CC(C)c1ccccc1OCCNC(=O)c1cccc(O)c1O	193063909	KSDPQWVPBHQCJL-UHFFFAOYSA-N	315.369	3.030	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1C	246371662	OBEOGCUBYCVCNB-QFBILLFUSA-N	314.473	3.458	10	20	DGCD	
CC(C)[C@@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1	265954138	VDCKFFXPGVNQLH-SFHVURJKSA-N	313.445	3.393	10	20	DGCD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C	352136249	XAZFMBZDDKOTMM-GFCCVEGCSA-N	324.428	3.247	10	20	DGCD	
CSC[C@](C)(O)CNCc1cc(-c2ccccc2)ccc1O	265698050	PSACTCZCECXRKT-GOSISDBHSA-N	317.454	3.263	10	20	DGCD	
CCn1cnc2c(NCc3c(C)c4ccccc4n3C)ncnc21	530429866	SLHWNWRMTVKGAF-UHFFFAOYSA-N	320.400	3.258	10	20	DGCD	
O=C(CCC1CCC1)NCc1cccc(Br)c1O	277425140	DFUVIRSVNXCLJU-UHFFFAOYSA-N	312.207	3.351	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CC(C)C)C(=O)O)cc1F	277215346	HNQYNNRUJQIQGX-HNNXBMFYSA-N	310.413	3.261	10	20	DGCD	
CN(C)c1ccc(CNCCC(C)(C)O)c(C(F)(F)F)c1	279796465	CYYQGEGTGSABGC-UHFFFAOYSA-N	304.356	3.022	10	20	DGCD	
COc1cc(O)c(CNC(C)(C)c2ccccc2)cc1OC	271116601	WGCIAHWPJXCCAJ-UHFFFAOYSA-N	301.386	3.434	10	20	DGCD	
C[C@@H](N[C@H]1CCc2c[nH]nc2C1)c1ccc2ccccc2c1O	370399700	VMOXWRMDJRQKEL-DOMZBBRYSA-N	307.397	3.477	10	20	DGCD	
Cn1cc([C@H](NCc2cc(F)ccc2O)c2ccccc2)cn1	371811965	YWHZFDGMVDPKQO-GOSISDBHSA-N	311.360	3.144	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1ncnn1C(C)(C)C	283216703	SKVUPPYFAZLWGU-UHFFFAOYSA-N	302.422	3.151	10	20	DGCD	
Cc1ccc(CNCc2ccccc2O)c(-c2cnn(C)c2)c1	801720161	PTMUTTHXJOUGFT-UHFFFAOYSA-N	307.397	3.391	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@H](CO)c2ccccc2)cc1F	295076033	PTSFLDHQIRIICW-GOSISDBHSA-N	302.393	3.057	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(F)F	293516746	XSBYDVQPJFOEBL-UHFFFAOYSA-N	322.149	3.158	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@H](C)c2cc(C)ccc2O)s1	818357295	YLMVHZQZPDLTQN-MNOVXSKESA-N	320.414	3.356	10	20	DGCD	
CN1C(=O)/C(=C/c2cnn(CC(F)F)c2)c2cc(Cl)ccc21	814190374	GBTJABOGDLLJNK-UUILKARUSA-N	323.730	3.319	10	20	DGCD	
C[C@H]1C[C@H](O)CN1Cc1ccc(N(C)Cc2cccs2)cc1	824272026	PPWGOUOQCLGXJN-YOEHRIQHSA-N	316.470	3.340	10	20	DGCD	
COC(=O)c1coc(CN2CCCc3cc(OC)ccc32)c1	726596357	IHYNNJLOZHGPGQ-UHFFFAOYSA-N	301.342	3.028	10	20	DGCD	
COc1ccc(N(CC(=O)N2CCCCCC2)C(C)C)cc1F	725815366	DBZBPXHGMJLILR-UHFFFAOYSA-N	322.424	3.452	10	20	DGCD	
COc1cc(O)c(CNCc2cc(C)cc(C)c2)cc1OC	827094980	XTIHPFUCLMJYGU-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCc1nnc(-c3ccccc3)o1)CC2	834688670	DAITWPDBROLBPH-HNNXBMFYSA-N	321.380	3.262	10	20	DGCD	
C[C@]1(COC(=O)/C=C/c2ccc(O)c(O)c2)CC1(Cl)Cl	837588642	SQINNUYPKOUOTP-MASHWEEQSA-N	317.168	3.238	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)(C)C(F)F	839920819	FKCDNYKJDKTLPJ-GFCCVEGCSA-N	312.404	3.400	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2Cc3ccccc32)cc1	741907735	WMUBNLWZCQVTBP-LJQANCHMSA-N	308.425	3.489	10	20	DGCD	
Cc1cc(CN2CCC(C(=O)O)CC2)ccc1N1CCCCC1	846226383	LVCIDVCHPLNTGV-UHFFFAOYSA-N	316.445	3.282	10	20	DGCD	
C[C@@H](N)C[C@@H](C)NCc1ccc(OCc2ccccc2)cc1O	843129970	VUJTWOPRHYYCRJ-HUUCEWRRSA-N	314.429	3.187	10	20	DGCD	
C[C@@H]1C[C@H](NCCc2ccc(N)cc2)CCN1Cc1ccccc1	841037177	YYBGEDFZLWCHNS-DYESRHJHSA-N	323.484	3.454	10	20	DGCD	
CCc1cccc(CN[C@H]2COc3cc(OC)ccc3C2)c1O	848900774	QBVTVZAKJXELOE-MRXNPFEDSA-N	313.397	3.057	10	20	DGCD	
C[C@H](NC[C@@]1(C)CCOC1)c1ccc(Br)cc1O	756573356	JDKPPZKUIRXWIP-IINYFYTJSA-N	314.223	3.232	10	20	DGCD	
COc1ccccc1OCCN[C@H](C)c1cc(F)cc(F)c1O	756371476	JYICPCREKTUVBC-LLVKDONJSA-N	323.339	3.409	10	20	DGCD	
C[C@H](CCC(=O)O)CNCc1ccc(N2CCCCC2)cc1	756313027	TURHWANEZDKQQI-OAHLLOKOSA-N	304.434	3.267	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](c2ccccn2)C2CC2)c1O	932380837	WYURIBNFJKTMMK-QGZVFWFLSA-N	314.360	3.370	10	20	DGCD	
CC1CCN([C@H](C)CN[C@H](C)c2cc(F)cc(F)c2O)CC1	756504017	OPZGFTBMIGOZHY-CHWSQXEVSA-N	312.404	3.441	10	20	DGCD	
CC[C@@](C)(NC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F	933544003	LCSYLZRRDQWURG-CQSZACIVSA-N	317.355	3.283	10	20	DGCD	
Fc1cc(CN2CCC[C@H]2C2CC2)ccc1N1CCOCC1	769329475	LVTROELRDHIAQH-KRWDZBQOSA-N	304.409	3.037	10	20	DGCD	
CC(C)OCCCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	769463175	NSOGNSGWVUOOGJ-UHFFFAOYSA-N	316.785	3.201	10	20	DGCD	
COC(=O)C[C@@H]1CCCCN1Cc1cc2c(cc1O)CCCC2	768440049	NGSCRYQSULSLQA-KRWDZBQOSA-N	317.429	3.189	10	20	DGCD	
C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H](C)S1	769141826	MQEPCMWBCNMCSU-AOOOYVTPSA-N	316.264	3.481	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ncccc1OC	868109778	JTDPZTVBYULNNP-UHFFFAOYSA-N	314.385	3.238	10	20	DGCD	
CCCOc1ccc(CNC[C@H]2CC(=O)N(CCC)C2)cc1C	873132026	DJDRHZPWBPUEDE-QGZVFWFLSA-N	318.461	3.132	10	20	DGCD	
C[C@H](NC(=O)c1nccc(Cl)c1F)c1ccc(N(C)C)cc1	1116701608	CLTBKCJOQACQEM-JTQLQIEISA-N	321.783	3.431	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ccc(CO)cc1	877591156	APCJHUYMAVOEJI-INIZCTEOSA-N	312.457	3.274	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)Cc2c(O)cccc2OC)C12CCC2	770351752	KQPQYVYPOSCQHC-DLBZAZTESA-N	305.418	3.180	10	20	DGCD	
Cc1nc(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1	773020453	USZZRTCMZLFYJR-GFCCVEGCSA-N	317.458	3.328	10	20	DGCD	
COc1ccc(CNCc2cc(OC)c(O)cc2Cl)c(O)c1	877493661	NZVVMZUYRXTLIN-UHFFFAOYSA-N	323.776	3.058	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCCN2C(=O)C(C)(C)C)cc1C	1045284873	VSPYIPJGJOVVOI-INIZCTEOSA-N	318.461	3.130	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(OC)CCCCC1	772487914	HCSXIEUXGUYOIU-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccnc(C4CC4)c3)ccc21	783042863	IWWSVJZPFDQSCY-UHFFFAOYSA-N	321.424	3.271	10	20	DGCD	
CCC(C)(C)C(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1	969784535	UJVCWWWXXDEAKS-MRXNPFEDSA-N	318.461	3.130	10	20	DGCD	
COc1ccc2c(c1)CCCN2C[C@H]1COc2ccccc2O1	797720754	NHFJJQDCZSKBRO-INIZCTEOSA-N	311.381	3.288	10	20	DGCD	
Cc1cc(F)cc2c1CN(Cc1cc3c(cc1O)OCO3)CC2	799950300	KWWIAWIDGOKKKJ-UHFFFAOYSA-N	315.344	3.127	10	20	DGCD	
C[C@@H]1C[C@@H](CNCc2cccc(Br)c2O)[C@@H](C)O1	686514132	XMLMVTDIUWWHNG-FOGDFJRCSA-N	314.223	3.058	10	20	DGCD	
O=C(O)c1cnc(N2Cc3cccc(O)c3C2)c(C(F)(F)F)c1	1608975725	LMDCGWBFNUOCOB-UHFFFAOYSA-N	324.258	3.024	10	20	DGCD	
CN(C(=O)Cc1c[nH]c2nccc(Cl)c12)c1ccc(N)cc1	1578378185	JWVPIMAIRQGLOR-UHFFFAOYSA-N	314.776	3.004	10	20	DGCD	
CC[C@@H](N[C@H](C)c1cc(C(=O)O)ccc1O)c1ccncc1	1595278118	ACDFZNLUWSCKRP-IAQYHMDHSA-N	300.358	3.287	10	20	DGCD	
CC(C)NC(=O)CN[C@H](C)c1ccc(N2CCCCCC2)cc1	160975912	WWJBWSYFNLULIB-MRXNPFEDSA-N	317.477	3.242	10	20	DGCD	
COc1cccc(CNC(=O)NCC(C)(C)C2CCCC2)c1O	152024213	GBEMUDAQUXYCHO-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCCCn1ccnc1	45094642	JCBFIIDJMBAOAV-UHFFFAOYSA-N	314.216	3.466	10	20	DGCD	
C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)C)cc2F)C[C@H](C)O1	55530543	DGSGUJMEJYJETJ-STQMWFEESA-N	322.424	3.102	10	20	DGCD	
COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(Cl)ccc1O)N2	102418314	AIACIUAWQDZXCH-HNNXBMFYSA-N	318.760	3.251	10	20	DGCD	
O=C(CSc1nccs1)NCCCOC1CCCCC1	60741025	NOQNSFIKXGTIBI-UHFFFAOYSA-N	314.476	3.091	10	20	DGCD	
OC1(CNCc2ccc(N3CCCC3)cc2)CCCCCC1	315792717	AVRIMSRACVVWGF-UHFFFAOYSA-N	302.462	3.462	10	20	DGCD	
COc1ccccc1NC[C@H](O)COCc1ccccc1Cl	314552686	KUTXHDFRCLQSQY-AWEZNQCLSA-N	321.804	3.338	10	20	DGCD	
CCOC1CC(CCNCc2cc(Cl)cc(OC)c2O)C1	187978226	TZYMGBNYRQJLIG-UHFFFAOYSA-N	313.825	3.349	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	121851271	GPJAIWHJSQEFLH-QRVBRYPASA-N	314.473	3.498	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCc3c(O)cccc32)cc1	190021199	UVMAHRPWXQAXBG-SFHVURJKSA-N	324.424	3.195	10	20	DGCD	
O=C(NCCCOc1ccc(N2CCCC2)cc1)C1CCCC1	190100199	BTRWZDLDTXDHLN-UHFFFAOYSA-N	316.445	3.362	10	20	DGCD	
Cc1cccc(CNC[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1O	191779856	ZXIXMHNCZZBPLL-OXQOHEQNSA-N	313.441	3.420	10	20	DGCD	
Cc1cc([C@@](C)(O)CNCc2c(O)cccc2Cl)c(C)o1	266150778	KJVLVMBFHKNQEE-INIZCTEOSA-N	309.793	3.253	10	20	DGCD	
C/C=C(\C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	267544739	BQEZRPPCMXXLOB-ZTTPKUNYSA-N	320.408	3.022	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1CCCCN1Cc1ccccc1	269138810	LBLQKAUKVXKJDT-GOSISDBHSA-N	324.424	3.063	10	20	DGCD	
Cc1ccc([C@H](C)NCCCOC2CCOCC2)c(O)c1C	273467758	JDGGUFNMCACAQO-HNNXBMFYSA-N	307.434	3.245	10	20	DGCD	
OC[C@@]1(F)CCCN(Cc2cc(-c3ccccc3)ccc2O)C1	289379521	BRHKQNUOSUMIES-LJQANCHMSA-N	315.388	3.356	10	20	DGCD	
Cc1ccc(C(=O)Nc2cnn(C)c2-c2ccccc2)c(O)c1O	805457079	QTVWMYADLOMXHK-UHFFFAOYSA-N	323.352	3.059	10	20	DGCD	
COc1cccc(CNC/C=C\c2ccccc2[N+](=O)[O-])c1O	809739774	DVSPDLCYLRIBIT-YVMONPNESA-N	314.341	3.112	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1cc(Br)ccc1O)C(C)(C)O	295061466	RFRSNBGKTPCADX-TVQRCGJNSA-N	316.239	3.355	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCc2cccc(C(N)=O)c2)c(O)c1	294689530	ILRDJWADBNVZDO-AWEZNQCLSA-N	312.413	3.001	10	20	DGCD	
O=C1CN(Cc2ccccc2O)C(=O)N1C1CCCCCCC1	819165906	HBYHMWOWQXLNOS-UHFFFAOYSA-N	316.401	3.269	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1	817938564	NGKWQHKPIXQQLN-KPZWWZAWSA-N	319.399	3.381	10	20	DGCD	
CNc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2	816939191	WGSZYYBGZHGBPO-UHFFFAOYSA-N	310.397	3.243	10	20	DGCD	
COc1cc(CN2CCC(OC)CC2)c(O)c(C(C)(C)C)c1	813090622	QZERPDHRFNTTTR-UHFFFAOYSA-N	307.434	3.309	10	20	DGCD	
CCOC(=O)CCCN(Cc1ccc(N(C)C)cc1)C(C)C	726691952	QEXQYSBKCMZVMF-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](CCO)Cc2ccccc2)cc1Cl	825773481	IEWVQCAXGOTOEN-INIZCTEOSA-N	319.832	3.437	10	20	DGCD	
CC[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1cccc(Cl)c1O	834916439	YTHMCLPTDVPVSS-BYCMXARLSA-N	322.836	3.240	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(C)n2C)cc1F	731345768	JCTHIJMCVFTDOM-UHFFFAOYSA-N	317.408	3.249	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(O)cs1	732279092	WSURUDDCJDARQV-UHFFFAOYSA-N	316.426	3.374	10	20	DGCD	
CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(N2CCCCC2)cc1	834903652	KBFQZBUYLKTWSD-KFKAGJAMSA-N	318.461	3.131	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H](C2CCC2)C2CC2)cc1F	836686742	DKFGNMLKYZZVQJ-KRWDZBQOSA-N	319.424	3.270	10	20	DGCD	
CC(C)n1cc([C@H](C)NC(=O)N(C)Cc2ccccc2O)cn1	732892299	AKPXLVIZBLHYJS-ZDUSSCGKSA-N	316.405	3.072	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)CCCC(C)(C)C)cc1	832274417	SYCJELPFVQTVSQ-MRXNPFEDSA-N	305.466	3.085	10	20	DGCD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCCc2ccc(N)cc2)o1	841718997	YEEYSFMLSPMLRS-LRDDRELGSA-N	313.401	3.027	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)C[C@H](C)N)c1C	843504998	SUYZHJBCJOXFKO-KBPBESRZSA-N	313.445	3.258	10	20	DGCD	
CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C1(CC)CC	841299509	IDGWAYPJFFXOFR-LSDHHAIUSA-N	305.422	3.374	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@H](OC)[C@H](C)C3)c2c1	840127674	TXNRUTFDYMFGIM-YJYMSZOUSA-N	315.413	3.411	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(C(=O)O)CCC2)cc1F	841810759	LURDCTJWVVAGTI-UHFFFAOYSA-N	308.397	3.016	10	20	DGCD	
Nc1ccc(CCNC(=O)N(Cc2cccs2)C2CC2)cc1	841961584	FNNOUDSKXZHXRJ-UHFFFAOYSA-N	315.442	3.247	10	20	DGCD	
CN(C)c1ccc(CNc2cccc([C@H]3CCC(=O)N3)c2)cc1	840972054	GIBIIOFHWUIRBP-GOSISDBHSA-N	309.413	3.316	10	20	DGCD	
CCc1cccc(CN2C[C@H](NC(C)=O)Cc3ccccc32)c1O	848900058	AIFFRXIULPVIMH-GOSISDBHSA-N	324.424	3.022	10	20	DGCD	
COC(=O)[C@@H](CC1CCCCC1)NCc1cccc(OC)c1O	756145624	CFYBSMRCMIXVMF-OAHLLOKOSA-N	321.417	3.002	10	20	DGCD	
Oc1nc(Cl)cc(NCc2c(O)ccc3c2CCCC3)n1	858426914	WWFUKSIXGUUCGC-UHFFFAOYSA-N	305.765	3.032	10	20	DGCD	
CC[C@@H](COC)N[C@H](C)c1cc(Br)c(F)cc1O	756596157	YGKXGFZZMXOGMQ-BDAKNGLRSA-N	320.202	3.369	10	20	DGCD	
C[C@H](NCC[C@@H](O)COCc1ccccc1)c1ccccc1O	858594411	DFLPMRIWDHRCAL-DOTOQJQBSA-N	315.413	3.011	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@H]2CCCCN(C)C2)c2c(O)ccc(F)c21	858490663	LKSKNMYGRZHIGH-NFAWXSAZSA-N	306.425	3.401	10	20	DGCD	
CO/C(=C\c1ccccc1)C(=O)NCc1ccc(N(C)C)cc1C	857126532	DUNHPPXDVKXGQK-UYRXBGFRSA-N	324.424	3.365	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1	930206358	VTMYCMQJZKXJEP-OAHLLOKOSA-N	324.424	3.412	10	20	DGCD	
C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1O	756711861	MUBOJBPTUODVBV-PSLIRLAXSA-N	311.303	3.194	10	20	DGCD	
CCCCN(Cc1ccccc1O)C1CCN(C(C)=O)CC1	930350706	JGZHNCBGFFSLOU-UHFFFAOYSA-N	304.434	3.005	10	20	DGCD	
C[C@H](O)C[C@@H](C)N[C@H](C)c1cc(Br)cc(F)c1O	757659031	XGWXQKNRNPXZSQ-HRDYMLBCSA-N	320.202	3.104	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCNc2ncccn2)cc1	766515156	AOFMBLYAJKVAEQ-OAHLLOKOSA-N	313.449	3.086	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CC[C@@H]3SCCS[C@@H]31)CCO2	762620395	ZXVIXRLZXDBVQW-VNQPRFMTSA-N	307.484	3.091	10	20	DGCD	
COc1cccc(NCc2ccc(N3CCOCC3)cc2)c1F	769928842	BXAFPCVJQDPCQJ-UHFFFAOYSA-N	316.376	3.283	10	20	DGCD	
CCOc1ccc(N2CCN(CC3(COC)CCC3)CC2)cc1	1117696823	QVNQENIGHMWRAO-UHFFFAOYSA-N	318.461	3.024	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@@H](C)C3)CC2)cc1	776308198	HFCCSSWVPQNOBP-HZPDHXFCSA-N	316.445	3.170	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)CCC[C@H]2C)c1O	774905801	RVWQDDWSTQEEHM-VXGBXAGGSA-N	308.378	3.320	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(N(C)C)cc1	773009902	PXVKAVGKASMIRD-KBXCAEBGSA-N	314.429	3.145	10	20	DGCD	
Oc1ccccc1CN1CCc2c(ncn2-c2ccccc2)C1	779144427	YJCVVQZUELOEOY-UHFFFAOYSA-N	305.381	3.136	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](C)c2c(F)cccc2F)c(O)c1O	780877932	LGGNQRYHEQLURR-SECBINFHSA-N	307.296	3.175	10	20	DGCD	
COC(=O)[C@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccsc1	789301083	XQTAFSJHNASZMO-ZUZCIYMTSA-N	321.398	3.027	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)[C@H](OC)c2ccccc2)c1	786861286	UIMNOVUOKUGHEF-ACJLOTCBSA-N	301.386	3.267	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC1(C(F)(F)F)CCC1	788026194	ADXKRJDELUOLOZ-UHFFFAOYSA-N	302.296	3.019	10	20	DGCD	
COc1ccc(CN2CCC[C@@H]2c2cccnc2)c(O)c1OC	894449788	QBOHGWJWAXBULV-OAHLLOKOSA-N	314.385	3.142	10	20	DGCD	
COc1cc(Br)cc(CN[C@H]2CC[C@@H](C)C2)c1O	780579103	ZDSLEYZVHPIHME-SKDRFNHKSA-N	314.223	3.442	10	20	DGCD	
COc1cc(C)cc(CN(Cc2ccccc2)C[C@H](C)O)c1O	893995880	VEKOJWFVVYKLCD-HNNXBMFYSA-N	315.413	3.092	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1	799864679	UMQOLKYIZLSOSG-IIDMSEBBSA-N	318.461	3.305	10	20	DGCD	
CC[C@](C)(O)CNCc1ccc2c(c1)CCN2Cc1ccccc1	796287571	LZEDXTYBNQJIIV-NRFANRHFSA-N	324.468	3.500	10	20	DGCD	
CC[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(F)cc1O	796789656	OULDPADCDPLELM-INIZCTEOSA-N	322.424	3.363	10	20	DGCD	
CCOc1ccc(CN(CCOC)[C@H]2CC[C@H](C)C2)c(O)c1	792192992	PGBPNIHGGHHJQR-HOCLYGCPSA-N	307.434	3.428	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CCN(C(C)(C)C)C1=O	1326500857	JPLSQFZOZPHCPS-MGPQQGTHSA-N	316.445	3.238	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@]2(C)CCCC[C@@H]2O)cc1F	1331273133	VQRDPKLDDPQBNF-IRXDYDNUSA-N	312.404	3.062	10	20	DGCD	
C[C@@H](CNC(=O)NCc1ccc(N)cc1)Cc1cccs1	1335515988	YXQMXYXBXJQYID-GFCCVEGCSA-N	303.431	3.008	10	20	DGCD	
Nc1ccc(CNc2ccc(CCC(=O)N3CCCC3)cc2)cc1	1262488019	NEXWRPMXBILNRJ-UHFFFAOYSA-N	323.440	3.436	10	20	DGCD	
CC[C@H](NCc1ccc(Cl)c(C(=O)O)n1)c1ccccc1O	1595301402	ZDXYOECDIMXGHY-ZDUSSCGKSA-N	320.776	3.380	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCO[C@@H](C)[C@H]3C)c2c1	164144393	UEPZTZFAPDKDGX-OLZOCXBDSA-N	301.386	3.163	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1	152520684	MICSEMYFWPJJEC-KGLIPLIRSA-N	316.351	3.009	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@@H](CC)c1ccccc1O	156923405	LSRDTWKYEBNVKO-HNNXBMFYSA-N	301.434	3.491	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)OCc2ccccc2)c1O	90582894	CECACHQRDOXBMP-UHFFFAOYSA-N	303.333	3.298	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ncc(C)s2)c1	103503271	BTTYHTNNEVLLFQ-VIFPVBQESA-N	307.375	3.048	10	20	DGCD	
C[C@H]1CC[C@@H](CCC(=O)N(C)Cc2ccc(N(C)C)cc2)O1	175004121	PQEIRHKVPPEUPU-YOEHRIQHSA-N	304.434	3.059	10	20	DGCD	
COc1cc(C)c(CN(C)Cc2cc(F)ccc2O)cc1OC	179888660	GZVWDSHUMBBJGI-UHFFFAOYSA-N	319.376	3.489	10	20	DGCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1ccccc1CC	189422803	LHIQOHZIEJHCTI-UHFFFAOYSA-N	321.398	3.154	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1	184912515	PGFJTRQWEVZCGE-XHSDSOJGSA-N	320.477	3.239	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H]3OCCC[C@@H]3C2)c1	129151035	BJYYYHBNPXDUSD-CXAGYDPISA-N	319.445	3.396	10	20	DGCD	
CC[C@@H](CSC)NC(=O)NCc1c(O)ccc2c1CCCC2	181451311	DQPVQLRATWNHDM-ZDUSSCGKSA-N	322.474	3.212	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2CCCN(C)c3ccccc32)s1	78150004	MDGIEPQUDSPXOS-CMDGGOBGSA-N	313.426	3.338	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2ccc3c(c2)CCO3)c1	182413761	KWUDXKIQRPMKSN-CYBMUJFWSA-N	313.397	3.229	10	20	DGCD	
COc1ccc(N(CC(=O)NC2CC2)Cc2cccs2)cc1	72982620	GUEIGVFDFSGLGX-UHFFFAOYSA-N	316.426	3.042	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1c(F)cccc1F	189435149	RJYALEMQXWECTG-UHFFFAOYSA-N	313.325	3.034	10	20	DGCD	
Cc1noc2ncnc(NCc3c(O)ccc4c3CCCC4)c12	192467781	FPOORJVNQULSSV-UHFFFAOYSA-N	310.357	3.123	10	20	DGCD	
Cc1ccc(F)c(NC2=NN=C(c3cccn3C)CS2)c1	194549735	MSPAYYZPNABDAX-UHFFFAOYSA-N	302.378	3.392	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc2ccccc2cc1N	237168273	JWIAXZUPPIKCEY-UHFFFAOYSA-N	306.365	3.400	10	20	DGCD	
CC(C)c1nc(CCNC(=O)NCc2ccccc2O)cs1	263864102	VXBWDDXHJMZIES-UHFFFAOYSA-N	319.430	3.014	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	367974600	SWZUYCHNIKVBRX-XYJFISCASA-N	317.429	3.336	10	20	DGCD	
C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1O	276901126	JBMBRIBERQDIAX-XPTSAGLGSA-N	311.303	3.194	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)cc2)CCO1	273030696	YAVDGLALBGTPFQ-WMZOPIPTSA-N	318.461	3.210	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCOC2CCCC2)c1	273585165	NOXOVKIAMYYZNY-ZDUSSCGKSA-N	321.417	3.179	10	20	DGCD	
Oc1cccc2c1[C@H](NCCOc1ccc(Cl)cn1)CC2	296916198	PMGUTPXHAYUIJV-CYBMUJFWSA-N	304.777	3.097	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C(F)(F)C(F)F	801551290	KPFJGRCMKFBAQJ-UHFFFAOYSA-N	307.287	3.421	10	20	DGCD	
COC(=O)c1cnc(SCC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)s1	295351229	QTFXBOKKCXBBAN-LPEHRKFASA-N	311.428	3.027	10	20	DGCD	
CCN(CC)c1ccc(CN2CC3(CCNCC3)C[C@@H]2C)cc1	818431415	LPTINVMIAXSUEB-KRWDZBQOSA-N	315.505	3.497	10	20	DGCD	
C[C@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H]1C	817959595	HIVTZTMJCXOTLE-NWDGAFQWSA-N	315.442	3.187	10	20	DGCD	
C[C@H](Cc1cccs1)NC[C@H](N)c1ccc(N(C)C)cc1	817939069	YLZMUOQPXMPCND-DYVFJYSZSA-N	303.475	3.035	10	20	DGCD	
CC/C=C(\C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	726562988	UEPCMINRFZYDIK-LHHJGKSTSA-N	302.418	3.137	10	20	DGCD	
COc1ccc(N(CC(C)C)C[C@@H]2CCNC(=O)CC2)cc1	828206064	OUENDWKREDILNQ-HNNXBMFYSA-N	304.434	3.074	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCC(=O)C(C)(C)C)c1	825736966	OHXVAESDELQZBT-LBPRGKRZSA-N	321.417	3.364	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]3COC[C@@H]32)cc1	838226411	OHSNFHAMDZJOLQ-MJGOQNOKSA-N	324.424	3.345	10	20	DGCD	
CO[C@@H]1COCC[C@@H]1CN[C@H](C)c1ccc2ccccc2c1O	834880487	GFMYCZGXYFPQSW-DDUZABMNSA-N	315.413	3.248	10	20	DGCD	
CN(C)c1ccc(/C=C\CN2CCCC[C@H]2CCC(=O)O)cc1	901998807	YYZOBSGVJUYYRB-XFHJGTJQSA-N	316.445	3.485	10	20	DGCD	
C[C@H](N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc2ccccc2c1O	834913678	IRIMGHWCWWWQDH-JOQOYGCGSA-N	324.424	3.349	10	20	DGCD	
Cc1ccc(N2CC[C@H](N[C@H]3CCc4cccc(O)c43)C2=O)cc1	834668242	IXTNSKFOMBTWNA-IRXDYDNUSA-N	322.408	3.083	10	20	DGCD	
C[C@H](NC(=O)N[C@H]1CCC[C@@H]2C[C@H]12)c1ccc(N(C)C)cc1	838559786	QEGVYGRJTDYZOM-YVVXQTMVSA-N	301.434	3.301	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2Cc3ccccc3[C@@H]2OC)c1	840846510	IBOZGKJAUOAINC-LLSQANQASA-N	313.397	3.364	10	20	DGCD	
Cc1ccc(C[C@@H](CO)NCc2ccc(N(C)C)cc2C)cc1	840938920	JQNLTEBYIZMIGG-IBGZPJMESA-N	312.457	3.063	10	20	DGCD	
C[C@H]1CCCC[C@H]1NC(=S)NCc1ccc(N(C)C)c(F)c1	746685492	QRBAJJVJCKIYEY-SWLSCSKDSA-N	323.481	3.435	10	20	DGCD	
CO[C@H](CNCc1cccc(Br)c1O)CC(C)C	841888991	WEJHPQAKOGPEPX-LBPRGKRZSA-N	316.239	3.305	10	20	DGCD	
Cc1c(C(=O)NCc2cc(Cl)ccc2O)cnn1C(C)(C)C	846473151	PLFWGBISDLJKLB-UHFFFAOYSA-N	321.808	3.236	10	20	DGCD	
CC(C)[C@@H]1CN(Cc2c(O)ccc3ccncc23)CCCO1	840094001	DXEGJTCBHXERDV-SFHVURJKSA-N	300.402	3.187	10	20	DGCD	
C[C@H](SCc1ccccc1)C(=O)NCc1ccccc1O	748344991	FMDXYVYUVWKHMN-ZDUSSCGKSA-N	301.411	3.330	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2cccs2)c1	858135403	UBUVRTGEKGJXPV-LBPRGKRZSA-N	304.415	3.193	10	20	DGCD	
Cc1nc(NCc2ccc(N3CCC(O)CC3)cc2)sc1C	853955962	MKIKCJWSQDOWEP-UHFFFAOYSA-N	317.458	3.333	10	20	DGCD	
CCOCCOCCN[C@@H](C)c1ccc2ccccc2c1O	927087139	KUJDYUDOYCWUEO-AWEZNQCLSA-N	303.402	3.249	10	20	DGCD	
C[C@@H](NCCc1ccoc1)c1ccc(N2CCOCC2)c(F)c1	850532088	PTXHCYZDKYOTHV-CQSZACIVSA-N	318.392	3.149	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C	850558712	TXXRUSXEMGZFMP-CABCVRRESA-N	318.461	3.307	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@@H](C)c2cc(F)cc(F)c2O)cc1	756461539	UIBILNSCGGZCJT-MEDUHNTESA-N	307.340	3.363	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[C@@H]1CCOC1	760192112	FYIAHBGKJXYSHF-CABCVRRESA-N	320.433	3.129	10	20	DGCD	
O=C(CC(F)(F)C(F)(F)F)NCc1cc(Cl)ccc1O	869146803	LVKRAWWETFOFRM-UHFFFAOYSA-N	317.641	3.250	10	20	DGCD	
Cc1cc(CNC(=O)C2=CCOCC2)c(C)n1-c1ccccc1	863165502	BYIZJRVEGFQFHA-UHFFFAOYSA-N	310.397	3.057	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc(CN2CCOCC2)cc1	876838799	NESSYKKGWOWPDK-UHFFFAOYSA-N	312.413	3.145	10	20	DGCD	
CC(C)c1nc(CNC[C@@H](N)c2ccc(N(C)C)cc2)cs1	1118019623	QENWPBVABQWGJZ-MRXNPFEDSA-N	318.490	3.122	10	20	DGCD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C	772946161	HUKRFUHEOCOFRR-QFBILLFUSA-N	300.446	3.367	10	20	DGCD	
CC[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)N(CC)CC	775406613	YUIHIYMDNOBKQU-RHSMWYFYSA-N	305.466	3.050	10	20	DGCD	
CCN(C)c1ccc(CN(CCO)CCc2ccccc2)cc1	773753788	AGIBDULSYONOHO-UHFFFAOYSA-N	312.457	3.180	10	20	DGCD	
CO[C@H](CNCc1cc(F)cc(F)c1O)Cc1ccccc1	883132021	CSHIJIHAUNGCBH-HNNXBMFYSA-N	307.340	3.018	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCSC(C)(C)CC2)cc1	788542575	OLSSZLVGLKTKHW-UHFFFAOYSA-N	321.490	3.180	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)NCc2cc(F)cc(F)c2O)n[nH]1	883102169	IJCDXUHPEAMFDH-IUCAKERBSA-N	310.348	3.153	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2CC(C)(C)C2)c1	780873613	OUILSMILKGFQBO-LLVKDONJSA-N	306.406	3.197	10	20	DGCD	
COc1cc(C)cc(CN(C)CC[C@@H]2CCCCN2C)c1O	894053765	IMSITCGKNMAHTI-INIZCTEOSA-N	306.450	3.015	10	20	DGCD	
CCOc1ccc(N2CCN([C@@H](C)c3ncc(C)o3)CC2)cc1	1319753426	KEEATXGTDJJCFJ-HNNXBMFYSA-N	315.417	3.265	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@@H]([C@H]2CCOC2)C1	1319963777	PHSZJQMHUWRMAZ-MSOLQXFVSA-N	300.446	3.145	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[C@H](F)C1	1329235460	FNLVNMCUKLKRCL-JKSUJKDBSA-N	319.424	3.367	10	20	DGCD	
Cc1nc2ccc(NCc3ccc(N4CCCC4)cc3)cn2n1	1330842001	RUWNTMRVJRDFNT-UHFFFAOYSA-N	307.401	3.250	10	20	DGCD	
O=C(O)CCc1ccc(NCc2cc(F)c(F)cc2O)cc1	1602041055	SJFQEKWLBUKWQV-UHFFFAOYSA-N	307.296	3.300	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CC(c3ccccc3)C2)c([N+](=O)[O-])c1	1608661353	UHGORYUTEGFUEE-VQHVLOKHSA-N	324.336	3.296	10	20	DGCD	
O=C(O[C@H](C(=O)O)c1ccccc1Cl)c1cc(O)cs1	1602601766	BAGDVMMNDVYMMZ-NSHDSACASA-N	312.730	3.090	10	20	DGCD	
COc1cc(CNCCCCC(=O)O)c(O)c(C(C)(C)C)c1	1594058216	DYCAHHFPQVDQMN-UHFFFAOYSA-N	309.406	3.043	10	20	DGCD	
COc1ccc(N(Cc2ccccc2)Cc2nncn2C)cc1	160740128	DKQVADSVXCFJHH-UHFFFAOYSA-N	308.385	3.031	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1nccs1	157073694	PKQBNTTXSDQDNS-LBPRGKRZSA-N	319.430	3.088	10	20	DGCD	
C[C@@H](O)C[C@@H](C)NCc1cc(Cl)cc(Br)c1O	708097937	ATUDMRWGGNALMD-HTQZYQBOSA-N	322.630	3.057	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc(OC)c1O	170732305	UDNQVUVJLBQAML-UHFFFAOYSA-N	315.369	3.159	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1csc(NCC)n1	177136896	PQTBKYHZRUAXHV-UHFFFAOYSA-N	319.430	3.333	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccc(Cl)nc1	175025940	WZFXEZQAGLZVOY-UHFFFAOYSA-N	303.793	3.200	10	20	DGCD	
CN(C)c1ccc(CNC2CC(C)(C)NC(C)(C)C2)cc1F	113314604	AWOIOXPKXYJTQD-UHFFFAOYSA-N	307.457	3.291	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@@H](C)c2cc(F)ccc2O)cc1	185827270	OAIAEYVYEDYWBO-YVEFUNNKSA-N	319.376	3.314	10	20	DGCD	
Cc1cc(NCc2c(O)ccc3c2CCCC3)ncc1[N+](=O)[O-]	74767414	NHINRKADUQVTKR-UHFFFAOYSA-N	313.357	3.495	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@]3(CCSC3)C2)c1	186136329	OYHOBVWRQLINDC-OGHNNQOOSA-N	323.458	3.106	10	20	DGCD	
C[C@H](NCCc1cn2ccccc2n1)c1ccc(N(C)C)cc1	130585055	IFHHUCQXOUAPJL-HNNXBMFYSA-N	308.429	3.294	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)C2CCCCC2)c1	74261696	IHQGFXCNDQUPIY-LBPRGKRZSA-N	306.406	3.169	10	20	DGCD	
COC[C@@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@@H](C)O1	190218127	WSQFWLLCDDRWNI-ZBFHGGJFSA-N	321.461	3.234	10	20	DGCD	
Cc1c(CNc2nnc(-c3ccco3)o2)n(C)c2ccccc12	344198295	LKUDWAPUBLMBJD-UHFFFAOYSA-N	308.341	3.742	10	20	DGCD	
COCc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1	266557290	JCPFIFQMJPZEAL-JYRVWZFOSA-N	305.424	3.197	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCOC1	280748941	COHXQKIXPNGEDD-AAEUAGOBSA-N	316.367	3.286	10	20	DGCD	
CC(C)[C@H](Cn1cccn1)NCc1ccc(N2CCCC2)cc1	284261905	WHDHOCKGVIRXHX-IBGZPJMESA-N	312.461	3.298	10	20	DGCD	
CC[C@H](NC[C@@](C)(O)C(F)(F)F)c1cccc(Cl)c1O	287755856	QOMACJDKSGVESW-CMPLNLGQSA-N	311.731	3.400	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCOC[C@H]2CCOC2)c1O	808695535	OANOFMCZKVWLBA-STQMWFEESA-N	313.825	3.058	10	20	DGCD	
Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)co1	808121187	BPCDPZHMJACBLO-UHFFFAOYSA-N	301.390	3.100	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)NOCC3CC3)cc2)CC1	297471592	RUTYBTWJIRZKDC-UHFFFAOYSA-N	317.433	3.064	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccsn1	294481566	OASUCJHOIQXZMB-UHFFFAOYSA-N	303.431	3.260	10	20	DGCD	
CC[C@H](NCC1(OC)CCOCC1)c1cccc(Cl)c1O	806149462	SYPMAVCOYBFGJX-AWEZNQCLSA-N	313.825	3.282	10	20	DGCD	
CC(F)(F)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1	815835988	MJAZWXGMOGETHM-UHFFFAOYSA-N	307.296	3.140	10	20	DGCD	
COc1cccc2c(NCCc3ccc(O)c(O)c3)ccnc12	811811660	ZQHSSKSEAZNRJB-UHFFFAOYSA-N	310.353	3.309	10	20	DGCD	
CN1CCC[C@@]2(CCN(Cc3cc(Cl)c(F)cc3O)C2)C1	816641819	HGJZSUWQHPLVRW-MRXNPFEDSA-N	312.816	3.102	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC([C@H]2CCOC2)CC1	816567570	FSUSKLATAGPVKT-LBPRGKRZSA-N	313.800	3.433	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H]3C[C@H]4CC[C@H]3C4)C2)cc1	818220972	JWNIXIAWMIULCH-FPXQBCRKSA-N	300.446	3.300	10	20	DGCD	
CSC1(CN[C@@H](C)c2cc(F)ccc2O)CCN(C)CC1	810252051	HBALBVOBXKTMCY-LBPRGKRZSA-N	312.454	3.009	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C2CC2)s1	729306325	WSYQHAJUOTWKKK-UHFFFAOYSA-N	315.442	3.359	10	20	DGCD	
C[C@H]1C[C@@H]1c1ccc(CNCc2cc([N+](=O)[O-])ccc2O)o1	725847307	ZQHVJGXOARJMGG-HZMBPMFUSA-N	302.330	3.307	10	20	DGCD	
CNC(=O)CC[C@@H]1CCCCN1Cc1cc(Cl)c(C)cc1O	825892676	GQLPDJBXKRSSQQ-AWEZNQCLSA-N	324.852	3.235	10	20	DGCD	
Cc1sccc1C(=O)NCc1ccc2c(c1)CCCN2C	822867727	JBFFLVICADKDMB-UHFFFAOYSA-N	300.427	3.369	10	20	DGCD	
COc1cc(O)ccc1NS(=O)(=O)c1ccc(C2CC2)cc1	901703924	MEPUBCSNLXVXBT-UHFFFAOYSA-N	319.382	3.079	10	20	DGCD	
COc1cccc(CNCC(C)(C)Oc2ccccc2)c1O	734160988	JJOBCLCDKISLFK-UHFFFAOYSA-N	301.386	3.348	10	20	DGCD	
O[C@@H](CNc1ccccc1OCC1CC1)CC1(O)CCCCC1	905325379	QCGWEHHFLDTIER-MRXNPFEDSA-N	319.445	3.334	10	20	DGCD	
CC[C@@H](N[C@@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1O	834896561	LEFLXPKFCXJCJS-XHDPSFHLSA-N	307.825	3.451	10	20	DGCD	
COc1ccc(N(Cc2nc([C@@H](C)OC)no2)CC(C)C)cc1	747840888	ZVUOLHXRSXARJR-CYBMUJFWSA-N	319.405	3.448	10	20	DGCD	
CN1CCCc2cc(CNC(=O)/C=C\c3ccccc3)ccc21	746809281	RQSSRFLUUBAQAA-BENRWUELSA-N	306.409	3.399	10	20	DGCD	
CC(C)c1ncc(CNC[C@H](N)c2ccc(N(C)C)cc2)s1	841042112	HWNORQVSCXFPGS-INIZCTEOSA-N	318.490	3.122	10	20	DGCD	
CCOc1cccc(CN[C@@H](CO)CC2CCCCC2)c1O	841893866	PWRBPSKJMHMIBQ-MRXNPFEDSA-N	307.434	3.212	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1	743767948	NLWOXIGOEKKXGL-CYBMUJFWSA-N	303.406	3.473	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)CC1(C)COC1	743870974	JZJLQIMOMTZPBF-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
COc1cccc([C@H](C)NCCn2cnc3ccccc32)c1O	846142869	WRKOHBAKRNBOBK-ZDUSSCGKSA-N	311.385	3.101	10	20	DGCD	
COc1cccc([C@H](C)NCCCN2CCC(C)CC2)c1O	846136295	IEOVVQZSPXUKFQ-HNNXBMFYSA-N	306.450	3.173	10	20	DGCD	
COc1cc(Cl)cc(CNCC(C)(C)OCC2CC2)c1O	840960255	IYTPCZPOIXBVOP-UHFFFAOYSA-N	313.825	3.349	10	20	DGCD	
C[C@@H](CNC(=O)NCCc1ccc(N)cc1)Cc1cccs1	841836644	XSOIVCRNFQIXNH-CYBMUJFWSA-N	317.458	3.051	10	20	DGCD	
COc1cccc([C@H](C)NCc2cn3cc(C)ccc3n2)c1O	846147199	UTNGDGUNWWALTN-ZDUSSCGKSA-N	311.385	3.208	10	20	DGCD	
C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCCc1ccc(N)cc1	841869849	QZHHDHNQMKOXSG-IFXJQAMLSA-N	323.440	3.434	10	20	DGCD	
CCO[C@H](CCNC(=O)Nc1ccc(N)cc1)C1CCCC1	841298492	ALTCTZSXTUSODZ-MRXNPFEDSA-N	305.422	3.376	10	20	DGCD	
CC(C)c1cccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c1	853001193	MHEWDMAQVCDFMW-GHXNOFRVSA-N	321.423	3.096	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CC(C)(C)Sc3ccccc32)cn1	755630030	SHKFWINWJSYXBF-HJWRWDBZSA-N	313.426	3.351	10	20	DGCD	
C[C@@H]1CC[C@@](CNCc2ccc(N(C)C)cc2)(CC(=O)O)C1	756312509	QVHGZZXBKNOUNM-KDOFPFPSSA-N	304.434	3.123	10	20	DGCD	
CC(C)[C@H](N)CCNCc1ccc(N(C)C)cc1C(F)(F)F	853247375	NGIDFVPDYCYTOU-OAHLLOKOSA-N	317.399	3.234	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCCc3c2cnn3C)c2c(O)ccc(F)c21	756403763	QYQKQIFGOPJZOY-SWHYSGLUSA-N	315.392	3.480	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c2c(O)ccc(F)c21	756606029	KPZAEMYEKBGOKA-RCASKQETSA-N	305.393	3.483	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](C)CN2CCC(C)CC2)c1O	850543565	MHCVOBAGGMERJY-LSDHHAIUSA-N	306.450	3.172	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nncs1	930755186	YQVNJFLFGIBADS-ZDUSSCGKSA-N	303.431	3.382	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C(=O)O)[C@@H](C)C2)cc1F	863739236	JMFIKRRARSGYCG-DZGCQCFKSA-N	322.424	3.215	10	20	DGCD	
COCCOCc1ccc(NCc2cc(OC)ccc2O)cc1	862532103	PXLATSJHPYPDSI-UHFFFAOYSA-N	317.385	3.176	10	20	DGCD	
C[C@H](CCC1CC1)NC(=O)NCc1ccc2c(c1)CCCN2C	768967960	LIDISGWBTLVIDY-CQSZACIVSA-N	315.461	3.447	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@H](C)c1ccc(N(C)C)cc1	773009903	PXVKAVGKASMIRD-KDOFPFPSSA-N	314.429	3.145	10	20	DGCD	
CC[C@@H](NCc1ccccc1CC(=O)OC)c1ccccc1O	775416661	WCZOFVVIXXZBDY-QGZVFWFLSA-N	313.397	3.349	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@H](CO)CC2CCOCC2)c(O)c1	1117749720	AEIGXYVSJGKAAH-NVXWUHKLSA-N	321.461	3.085	10	20	DGCD	
CC[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCS1	773613050	OUMHCXIILIBUOL-CJNGLKHVSA-N	321.490	3.351	10	20	DGCD	
Cc1cc(CN(C)c2ccc(OCCN(C)C)cc2)sn1	877342691	PYCOLAHKFACPSU-UHFFFAOYSA-N	305.447	3.028	10	20	DGCD	
Cc1nc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2O)sc1C	879648455	PXCNXJZHDWYRFN-MNOVXSKESA-N	319.430	3.143	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@@H]1OC	775457009	FCZSKSBSFLXJCT-YOEHRIQHSA-N	320.433	3.129	10	20	DGCD	
C[C@@H](NC[C@@H](CO)Cc1ccccc1)c1c(O)cccc1F	886511325	QKPLTMOLYRFULZ-HIFRSBDPSA-N	303.377	3.033	10	20	DGCD	
CC[C@@H]1CCCCN1C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775834183	LFXOAGOETXMLMT-DOTOQJQBSA-N	317.477	3.194	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1ccoc1)c1ccc(N(C)C)cc1	773615336	WANXSHPIMSCSPY-ZDUSSCGKSA-N	301.390	3.248	10	20	DGCD	
CC[C@@H](NCC(=O)NC1CCCC1)c1cc(Cl)ccc1O	775521573	YTYSSWLCSLWPPX-CQSZACIVSA-N	310.825	3.145	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1c(C)nn(C)c1Cl	771618319	KBJKMTKCDVRPCP-UHFFFAOYSA-N	305.809	3.343	10	20	DGCD	
Nc1ccc(OCc2cn(CCCCc3ccccc3)nn2)cc1	881207412	QMLYLYASFBMDIB-UHFFFAOYSA-N	322.412	3.462	10	20	DGCD	
NC(=O)N1CCc2ccc(NCc3c(O)cccc3Cl)cc21	785572616	QHRIPWRQMCXTAO-UHFFFAOYSA-N	317.776	3.099	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(OC2CCCC2)nc1	782013172	GQRQUVWQWHINRJ-UHFFFAOYSA-N	312.369	3.039	10	20	DGCD	
Cc1ccc(NCc2ccc(N(C)C)cc2)cc1N1CCNC1=O	785553869	UNFRGDUICBJWML-UHFFFAOYSA-N	324.428	3.203	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(CC)on1	897682977	DIPFCAAYGSPTDW-UHFFFAOYSA-N	302.374	3.385	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1C	70333929	CPQZCMINMUFMNR-UHFFFAOYSA-N	311.790	3.463	10	20	DGCD	
Cc1cc(C(=O)OC[C@H]2CCO[C@@H]2C)c(C)n1-c1ccccn1	793418520	CDQVSCGXJNOBCS-HUUCEWRRSA-N	314.385	3.071	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1cnc(C(C)(C)C)nc1	793585326	YBVFLSXSSPKLIJ-UHFFFAOYSA-N	312.461	3.438	10	20	DGCD	
CO[C@H]1CCC[C@H](CC(=O)NCc2ccc(N(C)C)cc2C)C1	793512173	AHNVGFVNRSQUEC-YJBOKZPZSA-N	318.461	3.273	10	20	DGCD	
CC(C)c1noc(CCNCc2cc(Cl)c(F)cc2O)n1	1324336544	JIVDECVFIGFQGM-UHFFFAOYSA-N	313.760	3.023	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1CC[C@@](O)(C2CC2)C1	1321079050	BZYMYSPFAKNYFW-FQEVSTJZSA-N	309.409	3.406	10	20	DGCD	
CCN(CC)C1CCN(Cc2ccc(N(C)C)cc2C)CC1	1325583220	WYOPMKPRYUUBQV-UHFFFAOYSA-N	303.494	3.367	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1	1353538865	DZHSKLSARKIXAE-QGZVFWFLSA-N	313.376	3.455	10	20	DGCD	
CCN1CCc2cc(CN[C@@H]3C[C@H](C(=O)O)CC[C@H]3C)ccc21	1776877576	VLENRKIASSDKFB-KBRIMQKVSA-N	316.445	3.048	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](CC(=O)O)C(C)C)ccc21	1776875162	KSWBFYWJTMJEMO-INIZCTEOSA-N	304.434	3.048	10	20	DGCD	
CCc1[nH]nc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C	153734017	KKGKEEFDROOZGN-UHFFFAOYSA-N	323.400	3.335	10	20	DGCD	
CC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	57647179	PZEFUHVBHIEUQU-CYBMUJFWSA-N	307.413	3.223	10	20	DGCD	
Cc1ccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1	58515069	VUCUHWSFYHLASW-UHFFFAOYSA-N	315.392	3.200	10	20	DGCD	
CCC1(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)CCC1	177385751	XSXREPQJNKIMAS-LBPRGKRZSA-N	306.406	3.341	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCc1nc(C2CC2)cs1	123357473	RNIKLFBPULFJIX-UHFFFAOYSA-N	317.414	3.068	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COCC1CC1	60605302	PYXLPYDFTMQBQR-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
CCCCC[C@@H](C)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O	182406290	VVDWINXUYUOJAT-KGLIPLIRSA-N	322.449	3.136	10	20	DGCD	
C[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1	181123638	JSXWVHGZDIMWFP-XOVSCCBYSA-N	309.365	3.084	10	20	DGCD	
CN(C)c1ccc(CN[C@H](c2ccc(F)cc2)c2ncc[nH]2)cc1	187705692	WFLQJLYTSZCJQL-GOSISDBHSA-N	324.403	3.494	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCCN2C[C@@H](C)O[C@H](C)C2)c(O)c1	185206759	SFFWNLMLNYQFHO-BRWVUGGUSA-N	320.477	3.241	10	20	DGCD	
CCCC(=O)N(CC)Cc1cc(Br)ccc1O	75416998	ZWPJIHUCFSUILY-UHFFFAOYSA-N	300.196	3.303	10	20	DGCD	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2CC)cc1	189430126	JTHBAOUJJPBYEP-UHFFFAOYSA-N	321.398	3.154	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cn[nH]c3)c2C)cc1	127739281	OMCDQQZDMNNHGP-UHFFFAOYSA-N	310.357	3.078	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CC[C@H](C)C[C@H]2C)c1O	74209167	PQQAQMGJMLASFU-SCRDCRAPSA-N	306.406	3.025	10	20	DGCD	
C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1O	187700178	NSOTXMGQQLMIHF-JTQLQIEISA-N	322.311	3.472	10	20	DGCD	
COc1cccc(CNC(=O)Nc2c(C)cccc2C)c1O	78521960	MEORLZHCUWKZDA-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)c2ccsc2)c1	131084745	CKDPXXBOJTZJHY-MNOVXSKESA-N	305.399	3.443	10	20	DGCD	
CSC1(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1	194657653	UORVITRPVXLUNX-UHFFFAOYSA-N	315.442	3.115	10	20	DGCD	
COc1ccc(N(C)Cc2ncn(-c3ccccc3)n2)cc1F	92800890	BSNYTKZRCQBIAQ-UHFFFAOYSA-N	312.348	3.051	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2Cc3ccccc3NC2=O)c(O)c1C	528001798	PWUOJJHLIJFDGB-GUYCJALGSA-N	310.397	3.223	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cn2cccnc2n1	268549478	ARHAAFIMGDKDRB-UHFFFAOYSA-N	323.444	3.206	10	20	DGCD	
CS[C@@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	269818614	ISKOKTHEIZBHOK-AWEZNQCLSA-N	323.506	3.424	10	20	DGCD	
C[C@@H](N[C@H](C)c1nncn1C)c1ccc(Cl)c(Cl)c1O	273568649	KDSLJHUWDRDUCR-HTQZYQBOSA-N	315.204	3.239	10	20	DGCD	
CCCOc1ccc(CNCC[C@H]2CCO[C@@H](C)C2)c(O)c1	273028951	FWWPWYXNPXKFOC-GJZGRUSLSA-N	307.434	3.476	10	20	DGCD	
COc1ccc([C@H](O)CN[C@H](C)c2c(C)cc(C)cc2O)cc1	284113305	NLTAPMWYVQCQRN-RDTXWAMCSA-N	315.413	3.402	10	20	DGCD	
COCCOCc1ccc(CN(C)Cc2ccccc2O)cc1	288952558	AENXJNJSZJCSDM-UHFFFAOYSA-N	315.413	3.187	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCOC1	280748960	COHXQKIXPNGEDD-YPMHNXCESA-N	316.367	3.286	10	20	DGCD	
CCOc1nccnc1NCc1cc(Cl)cc(Cl)c1O	808088715	ARHGDBLAGWOGPZ-UHFFFAOYSA-N	314.172	3.500	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCN2CCSCC2)c1O	808695737	PKRYUDQJYDCVEB-GFCCVEGCSA-N	314.882	3.053	10	20	DGCD	
CCCN(CCO)C(=O)c1sccc1-n1c(C)ccc1C	298885975	NGBWGAUUSUQPQQ-UHFFFAOYSA-N	306.431	3.000	10	20	DGCD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1	800328538	OJZHBPOZCUVPRO-IIDMSEBBSA-N	316.445	3.107	10	20	DGCD	
CCc1nc([C@H](C)N[C@@H](C)c2cc(Cl)cc(C)c2O)n[nH]1	808710218	MWDCCOLTWNPQCY-UWVGGRQHSA-N	308.813	3.446	10	20	DGCD	
CCOc1ncc(C)cc1NC(=O)N(C)Cc1ccccc1O	297384955	LNKINFCIQADUTL-UHFFFAOYSA-N	315.373	3.158	10	20	DGCD	
C[C@@H]1CCCN(c2ccc(CN[C@@H]3CCOC3)cc2Cl)C1	800275424	CCKADQOTONICIZ-UKRRQHHQSA-N	308.853	3.455	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCc3cc(F)ccc32)cc1	817938969	WNRRDMUONLWSPB-RTBURBONSA-N	313.420	3.169	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCCC23CCCC3)cc1	817943309	UGXQBZACARFFNA-MSOLQXFVSA-N	301.478	3.455	10	20	DGCD	
COC1([C@H](C)N[C@@H](C)c2ccc(Cl)cc2O)CCOCC1	817588403	ORLMWRUALIYNEV-RYUDHWBXSA-N	313.825	3.280	10	20	DGCD	
C[C@H](NC(=O)Nc1ccn2ccnc2c1)c1ccc(N(C)C)cc1	810229074	RJBPJYOBQGPMTD-ZDUSSCGKSA-N	323.400	3.283	10	20	DGCD	
CC[C@H](CNCc1cc(Cl)c(F)cc1O)N1CCCC1	816534491	KOMCLJWQXABZTC-GFCCVEGCSA-N	300.805	3.149	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@H](CO)Cc2ccco2)c(O)c1	815589296	OGVBZJYNMGSILV-LSDHHAIUSA-N	303.402	3.104	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@H]2CCCNc3ccccc32)cc1	817944336	ZIAJYPZQWCDBEU-ICSRJNTNSA-N	324.472	3.289	10	20	DGCD	
CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1	588404683	NEWQVHVLYCDMLD-VURMDHGXSA-N	317.410	3.267	10	20	DGCD	
CCc1cccc2c1N(C(=O)c1cccc3c1CCNC3)CC2	662548740	KCJOVTYOYAGIMV-UHFFFAOYSA-N	306.409	3.098	10	20	DGCD	
COc1ccc(O)c(CNC(=S)N[C@H](C)c2ccccc2)c1	733905633	BQURKHLZJPMWBA-GFCCVEGCSA-N	316.426	3.126	10	20	DGCD	
O=C(O)[C@@H]1CCN(Cc2cc3oc4ccccc4c3cc2O)C1	739597951	IGZWTUZADKSYKT-LLVKDONJSA-N	311.337	3.198	10	20	DGCD	
CCOc1cccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O	839193413	UNFJPMNKYZBTIC-DLBZAZTESA-N	319.445	3.164	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1CCCN(C(C)C)C1	840932385	PXGHSDVMIUPFNL-QGZVFWFLSA-N	303.494	3.271	10	20	DGCD	
CCCCO[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C1(C)C	841299530	IJDUNLVHJGDMMC-LSDHHAIUSA-N	305.422	3.374	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1	841666346	AAILPXGBNCUTNH-LZLYRXPVSA-N	315.461	3.469	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC(C3CCCCC3)C2)cc1	841955737	LKYYQLZJUVFEJN-UHFFFAOYSA-N	301.434	3.033	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H](C(=O)O)C2)cc1F	843303650	CUARJOFHXIHCTF-HUUCEWRRSA-N	322.424	3.405	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1F	844357822	RCRGLYVPQJWSCC-VHDGCEQUSA-N	302.393	3.110	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](CO)[C@@H](C)c2ccccc2)c1O	846152964	WADIAJXSCKQOSC-ZQIUZPCESA-N	315.413	3.216	10	20	DGCD	
CC(C)Cn1cc(NC(=O)NCc2cc(Cl)ccc2O)cn1	844550335	WJDRQVCPJMPBQY-UHFFFAOYSA-N	322.796	3.220	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCCCO1	920348837	SNKYYOBUOFJLML-AWEZNQCLSA-N	318.442	3.455	10	20	DGCD	
Cc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)c(O)c1O	751530554	NQTFDPLWQTYLQX-UHFFFAOYSA-N	311.790	3.393	10	20	DGCD	
CC[C@@H](C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1	851641315	KCVBGHHZBQKSDA-GFCCVEGCSA-N	317.458	3.482	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc3c(c2)C(=O)NCC3)c(O)c1C	757660868	JWEPTNRIYQTPRD-CQSZACIVSA-N	324.424	3.146	10	20	DGCD	
CCO[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1	858835211	CWXBCHWWCPKEOJ-GOSISDBHSA-N	316.445	3.108	10	20	DGCD	
CC(C)(C)[C@@H](CC(=O)O)NCc1c(O)ccc(Cl)c1F	756360705	IVJCOXUDBDQJPL-LLVKDONJSA-N	303.761	3.164	10	20	DGCD	
COCC1(CCNCc2cc(F)c(N(C)C)cc2F)CCC1	858169489	WVTMPWJFFVZTND-UHFFFAOYSA-N	312.404	3.327	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1	858418364	RDPSPAJQWSMQSL-JCNLHEQBSA-N	310.397	3.446	10	20	DGCD	
C[C@H](NC1CC(C(F)F)C1)c1ccc(N2CCOCC2)cc1	768687200	LZKCAKLSJCPYBC-GRTSSRMGSA-N	310.388	3.218	10	20	DGCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CC=CCC1	769381121	LDEUYNWKPVERER-ZDUSSCGKSA-N	323.820	3.377	10	20	DGCD	
CCOc1cccc(CNc2ccccc2C[S@@](C)=O)c1O	762790268	CWRULXLCZPRPIG-JOCHJYFZSA-N	319.426	3.282	10	20	DGCD	
Cc1ccc(CN2CCC(Oc3ncccc3F)CC2)c(O)c1	877482500	BEXRNVFQWSLXSA-UHFFFAOYSA-N	316.376	3.278	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H]2CCO)cc1	779283727	JLSVQHODOIQPFB-KRWDZBQOSA-N	312.413	3.081	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)c2ccccc2)c1O	774942997	SKPHCVIUPOWGTD-GFCCVEGCSA-N	316.357	3.202	10	20	DGCD	
C[C@@H]1CC[C@@H](CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)O1	773019482	MBVQLWBVRSATIY-CPUCHLNUSA-N	304.434	3.278	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(C(C)C)C1=O)c1cc(Cl)ccc1O	775524336	NSYSIIJJPYAWLF-ZIAGYGMSSA-N	310.825	3.096	10	20	DGCD	
Cc1ccc(CNC[C@H](O)c2cc(F)cc(Cl)c2)c(O)c1	877482453	JBZFPTYPSUVLAN-INIZCTEOSA-N	309.768	3.316	10	20	DGCD	
CCC1(CNCc2ccc(N3CCC(O)CC3)cc2)CCC1	877079365	COBFMBZMOUDWIO-UHFFFAOYSA-N	302.462	3.318	10	20	DGCD	
CCc1onc(C)c1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775688907	SFLULNJQVJLXBJ-LLVKDONJSA-N	316.405	3.494	10	20	DGCD	
C[C@H]1CCCC[C@@H]1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773744864	FLUGWYMZKOMURS-GZBFAFLISA-N	305.418	3.361	10	20	DGCD	
CC[C@@H](CSC)NC(=O)NCc1ccc(N(CC)CC)cc1	774681636	AIAYLMLQZFWZPQ-HNNXBMFYSA-N	323.506	3.474	10	20	DGCD	
CC[C@@]1(C)CCCN(c2nnc(-c3sccc3O)n2C)C1	1121273778	KUGULHLWOPJRQX-HNNXBMFYSA-N	306.435	3.266	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@H](C)c1c(O)cccc1F	886587934	IMETYTWDLLCPTI-CHWSQXEVSA-N	307.365	3.423	10	20	DGCD	
CCOc1ccc(CN(CCO)Cc2ccc(C)cc2)c(O)c1	783603384	RMJWDEHTCVVSKJ-UHFFFAOYSA-N	315.413	3.094	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)C[C@H](C)O)c2C)c1	783628483	KQGSCEWDMOLVCE-HIFRSBDPSA-N	314.429	3.292	10	20	DGCD	
COc1cc(O)c(CN[C@H](CC(F)(F)F)C(C)C)cc1OC	783740675	KNTPLFSTHOHVTL-LLVKDONJSA-N	321.339	3.476	10	20	DGCD	
Cn1nccc1[C@@H]1CCC[C@H](NCc2ccc3c(c2)CCO3)C1	790486110	LFHZEFAGEIWCTL-WBVHZDCISA-N	311.429	3.171	10	20	DGCD	
CC[C@@H]1C[C@H](C)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1319707752	XSRWGKHNYBYMFY-DOTOQJQBSA-N	319.468	3.198	10	20	DGCD	
COc1cc(C(F)(F)F)nc(NCc2cc(C)ccc2O)n1	1351353762	SZRZZGYPZJKEOR-UHFFFAOYSA-N	313.279	3.130	10	20	DGCD	
COc1cccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)c1	176374	RLBRMSLPHMHLMC-BOPFTXTBSA-N	322.364	3.106	10	20	DGCD	
O=C(O)[C@H]1CCCCCN1Cc1cc(Cl)cc(F)c1O	1610741883	IWYAGRPEWWBUBV-GFCCVEGCSA-N	301.745	3.014	10	20	DGCD	
CCN1CCCc2cc(CNCCC[C@H](C)C(=O)O)ccc21	1776875449	CCLXHABLXTZCMA-AWEZNQCLSA-N	304.434	3.050	10	20	DGCD	
CCS[C@H]1CCCCN(Cc2cc3c(cc2O)OCO3)C1	153114407	MBYLSTAEUCVRJZ-ZDUSSCGKSA-N	309.431	3.229	10	20	DGCD	
C[C@H](NCc1ccc(Br)cc1O)[C@@H]1CCCOC1	691487989	JQYCZHBJKQUJPL-CMPLNLGQSA-N	314.223	3.059	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H]1CCN(Cc3ccccc3)C1)CC2	383936769	CYFVMAOFPWUYRU-HKUYNNGSSA-N	322.452	3.491	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc(C2CC2)on1	178293763	XQOMCZJBICUZQD-UHFFFAOYSA-N	312.369	3.066	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(C)c(C)s2)c1	171720469	NLTIYACZPQZBGX-SECBINFHSA-N	321.402	3.357	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1nccc(C)c1[N+](=O)[O-]	301298576	QANVEAVDJBLDMK-UHFFFAOYSA-N	300.362	3.285	10	20	DGCD	
c1ccc(-c2nnc3ccc(Sc4nccs4)nn23)cc1	60381314	SCYUCZNBLNDRPM-UHFFFAOYSA-N	311.395	3.399	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1	72622209	WTSJIVZLKPUVGG-OAHLLOKOSA-N	315.369	3.115	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)COc2ccccc2)cc1Cl	121894549	GJOPNIOAGOYBKB-AWEZNQCLSA-N	321.804	3.225	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CCC(F)(F)F)ccc21	79812298	DUQWDGNGCBMBJB-UHFFFAOYSA-N	300.324	3.028	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O	185442389	YOQRUPFEDFUTGJ-DGCLKSJQSA-N	324.396	3.191	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CC[C@@H](CN2CCCC2)C1	131343921	VQNWOJGJEKOSIJ-INIZCTEOSA-N	310.441	3.463	10	20	DGCD	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NCc2ccccc2O)C1	382452242	GIPKYDQFHHVTMQ-HIFRSBDPSA-N	320.433	3.175	10	20	DGCD	
C[C@H]1CCC[C@](CNCc2ccc3c(c2)CCO3)(N(C)C)C1	237702138	MZGNJJGDOXKLQM-KXBFYZLASA-N	302.462	3.222	10	20	DGCD	
Cc1ccc(O)c(CN(C)Cc2ccc([S@](C)=O)cc2)c1	93712976	DCEJCGDTHFPRFB-OAQYLSRUSA-N	303.427	3.070	10	20	DGCD	
COc1cccc([C@@H](CNCc2ccc(OC)c(C)c2)OC)c1	527738377	ITAAYECCZJRFST-LJQANCHMSA-N	315.413	3.490	10	20	DGCD	
CC(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	264645298	FTDUMCCETHKGGR-UHFFFAOYSA-N	310.397	3.227	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC([C@H]3CCOC3)C2)cc1	366846214	OCBWULQRYDWKOD-KRWDZBQOSA-N	324.424	3.203	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c2n[nH]cc2c1	264018761	XKCJCZYNJJJNGM-UHFFFAOYSA-N	322.412	3.210	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)cn1	279066344	LJGJOJALNHPAAI-ZDUSSCGKSA-N	313.401	3.213	10	20	DGCD	
Cc1ccc([C@@H](C)NCCc2cn3c(n2)SCC3)c(O)c1C	274375214	LPVCIXYGBFHTNH-CYBMUJFWSA-N	317.458	3.205	10	20	DGCD	
COCCC1(CN[C@H](C)c2cc(C(=O)OC)ccc2O)CCC1	273556269	GXAQBDABHVNFIY-CYBMUJFWSA-N	321.417	3.036	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1	284505191	MHGRKIPUNDKYKA-GOSISDBHSA-N	322.408	3.129	10	20	DGCD	
COc1cccc(CN(C)Cc2ccccc2N(C)C)c1O	290234165	TYBRUDQDIVPXKQ-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)[C@H](O)c1ccc(F)cc1	297909326	WPBWQKXIZKDYIH-GYOIFBIXSA-N	301.361	3.230	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCCO[C@@H]2CCOC2)c1O	808702136	SGUGSJUTNZIMRS-TZMCWYRMSA-N	313.825	3.200	10	20	DGCD	
Cc1ccc(N2C(=O)/C(=C/c3cn(C)cn3)SC2=S)cc1	800791728	FDLYMFKCIVXZBU-QPEQYQDCSA-N	315.423	3.134	10	20	DGCD	
CCN1CCC(CCNCc2cc(Cl)c(F)cc2O)CC1	816554049	NPUPWGOMTJQIJD-UHFFFAOYSA-N	314.832	3.396	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CC[C@@H](Oc2ccncc2)C1	816593848	GURQCLIRZONQCQ-CYBMUJFWSA-N	322.767	3.233	10	20	DGCD	
CNC(=O)Cc1ccc(NCc2cc(Cl)c(F)cc2O)cc1	816522879	SETTYUKAYDIRLJ-UHFFFAOYSA-N	322.767	3.085	10	20	DGCD	
COCC[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	725850850	GDBBCRGQYADUGV-AWEZNQCLSA-N	321.421	3.100	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)c2ccccc2O)nn1[C@H](C)C1CC1	827941891	ZKZWTIKCYXSIOD-CHWSQXEVSA-N	313.401	3.359	10	20	DGCD	
O=C1CC[C@H](CN(Cc2ccccc2O)C2CCCC2)CCN1	827813692	YLZJBMZKHHRIII-HNNXBMFYSA-N	316.445	3.053	10	20	DGCD	
Cc1cnccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1	823729393	FMIJDTWJORZIPJ-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cc(OCC)ccc1O	827752138	ZGZVYPZLKOQJLL-WMZOPIPTSA-N	321.417	3.002	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(Cc3ccsc3)CC2)c1	732556662	VFTQEMFIZPRPQA-UHFFFAOYSA-N	316.470	3.388	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2nn(C)cc2Cl)cc1	834881812	BLDRDUOCQZCEMS-GFCCVEGCSA-N	306.841	3.380	10	20	DGCD	
CCc1cccc(CN[C@H](CCOC)Cc2ccco2)c1O	848903017	WYHYJWFAQJEMNJ-MRXNPFEDSA-N	303.402	3.285	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)COC(C)C	840302919	VVSYXVIRFALZRI-UHFFFAOYSA-N	321.465	3.064	10	20	DGCD	
COCC1CCC(NCc2c(O)ccc(Cl)c2F)CC1	840963029	POYQJSSYXNSNMD-UHFFFAOYSA-N	301.789	3.480	10	20	DGCD	
CCOc1cccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1O	840956307	MZDRRYOQHOLTIV-IAGOWNOFSA-N	313.397	3.099	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CS[C@H](C)C1	840416761	MSSSTGBABKMUAF-UKRRQHHQSA-N	321.490	3.178	10	20	DGCD	
CN(Cc1ncnn1CCF)c1ccc(-c2nccs2)cc1	846990866	CSXXYMPXFJTYRL-UHFFFAOYSA-N	317.393	3.008	10	20	DGCD	
CCc1cccc(CNC[C@H](c2ccc(F)cc2)N(C)C)c1O	848894440	LUBGZMHVESIEAI-GOSISDBHSA-N	316.420	3.486	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@@]2(CCCN2)C1	841105261	DOYILXSAFCVFAP-AWEZNQCLSA-N	301.217	3.027	10	20	DGCD	
C[C@@H](NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1O	841743837	KKAHPJCUSYNBAP-LLVKDONJSA-N	320.824	3.214	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](Cc2ccccc2)OC)c1O	846170995	QELUIJLZQXRHIE-ZBFHGGJFSA-N	315.413	3.309	10	20	DGCD	
O=C(O)[C@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1	756332019	DIJCMAMXAXQEFC-CQSZACIVSA-N	309.724	3.100	10	20	DGCD	
COCC[C@@H](C)N[C@@H](C)c1cc(Br)c(F)cc1O	756528744	WOVKGYLXFVFGGF-BDAKNGLRSA-N	320.202	3.369	10	20	DGCD	
CCN(Cc1noc(C2CCC2)n1)c1ccc(OC)c(OC)c1	859176254	UVQQSJYAMPVKFM-UHFFFAOYSA-N	317.389	3.381	10	20	DGCD	
COC[C@@H](C)CC(=O)Nc1c(-c2ccccn2)nc2ccccn12	755380878	IXOXLZOFJZEPPZ-ZDUSSCGKSA-N	324.384	3.007	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1	862760342	QMGXCSJJXDJZBM-UKRRQHHQSA-N	317.335	3.399	10	20	DGCD	
CCSc1ccccc1C(=O)N1CCS[C@@H]2COCC[C@@H]21	769343912	MBVHIGSHVFPAED-DZGCQCFKSA-N	323.483	3.145	10	20	DGCD	
COCCN(Cc1ccccc1)Cc1c(O)cccc1OC	768159355	BMQCQJGJEIJVFR-UHFFFAOYSA-N	301.386	3.049	10	20	DGCD	
CC(C)(C)c1cnc(SCC2CCS(=O)(=O)CC2)s1	767210104	UTHDTQMMMFYDAY-UHFFFAOYSA-N	319.517	3.358	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cc1	763926533	SOFHBDLLOCNCTP-GOEBONIOSA-N	316.445	3.154	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]1c1cccc(F)c1	779526686	XFUSJHFMMNFRNN-ZQMJAJRESA-N	313.328	3.224	10	20	DGCD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C2	779475544	KODZOJHFGSKBLR-FAQVLDFUSA-N	315.413	3.442	10	20	DGCD	
C[C@H](NCCc1cncn1C)c1ccc(N2CCCCC2)cc1	788257781	QIQZAIQBCFBNBC-INIZCTEOSA-N	312.461	3.304	10	20	DGCD	
CN(C)c1ccc([C@H](CNCc2cccs2)N(C)C)cc1	898450380	BGPYKPGJOQPVIK-KRWDZBQOSA-N	303.475	3.207	10	20	DGCD	
CCCN(Cc1ccc(OC)c(OC)c1O)CC(F)(F)F	891711762	BKMXKLVYUOYFAI-UHFFFAOYSA-N	307.312	3.184	10	20	DGCD	
CCC(CC)[C@H](O)CNCc1c(O)cccc1Br	706830327	PYBCLKMROBSBJL-CQSZACIVSA-N	316.239	3.041	10	20	DGCD	
COC(=O)C1(CNCc2c(O)ccc(Cl)c2F)CCCC1	792174242	OSYGJLNGOPHAPV-UHFFFAOYSA-N	315.772	3.008	10	20	DGCD	
C[C@H](c1ncc(Br)cn1)N(C)Cc1ccccc1O	798194732	AEVUWEHVHZXNFS-SNVBAGLBSA-N	322.206	3.138	10	20	DGCD	
O=C(NCCC1=CCN(c2cccc(F)n2)CC1)C1CCCC1	1089803200	BMBKVLJIQLFZRU-UHFFFAOYSA-N	317.408	3.054	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@@H](C)C(C)(C)C)cc1C	1161006150	FKWJNZGOGCQUOO-OAHLLOKOSA-N	320.477	3.282	10	20	DGCD	
COc1cc(C)cc(CN2CCC([C@H]3CCCCO3)CC2)c1O	1338168682	XKUVHHIUROLMKT-QGZVFWFLSA-N	319.445	3.490	10	20	DGCD	
Cc1ccc(CN(C)c2ccc(OCC(=O)O)cc2)cc1F	1610500702	OWYIGTYOFMYRQB-UHFFFAOYSA-N	303.333	3.234	10	20	DGCD	
C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C(=O)O	1610392369	JOMPFJRXWAXNGW-CXAGYDPISA-N	311.381	3.212	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](CC(C)(C)C)C(=O)O)c1O	1599420687	OZNFDLFGOIYEKP-LLVKDONJSA-N	315.797	3.033	10	20	DGCD	
O=C1N=C(NC2CCCCC2)S/C1=C\c1cccc(O)c1	7209209	UNMSTVMGGTVYIH-UVTDQMKNSA-N	302.399	3.285	10	20	DGCD	
CC[C@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O	156781036	NNRFVIFKOUESMJ-JLJPHGGASA-N	307.459	3.488	10	20	DGCD	
COC(=O)c1ccnc(Sc2ncc(C(C)(C)C)s2)n1	1262686570	NOYQWQNMHIIRMZ-UHFFFAOYSA-N	309.416	3.168	10	20	DGCD	
C[C@H](NC[C@H](c1cccc(F)c1)N(C)C)c1ccccc1O	183371544	PBGGBFNWVPBAJG-SUMWQHHRSA-N	302.393	3.485	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c(O)c1O	185824628	GEVDIUNUQKQSPJ-NSHDSACASA-N	323.348	3.127	10	20	DGCD	
CN(Cc1cccs1)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	314385626	UZTZMXUVBSCVCJ-FNORWQNLSA-N	318.354	3.391	10	20	DGCD	
COc1ccc(OC)c(CCN[C@H](C)c2ccc(F)cc2O)c1	185186548	UTEZSDUKVBPERZ-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cc(C#N)ccc2F)c1	182315256	VBYBSJZUEWSOHN-NSHDSACASA-N	300.333	3.262	10	20	DGCD	
CCOCc1cc(CNCC2(CCO)CCCC2)ccc1OC	72925729	DJAYLCWSGJMGPB-UHFFFAOYSA-N	321.461	3.264	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N(CCN(C)C)c1ccccc1	186341491	YFBPQIWPBIZKJC-MDZDMXLPSA-N	315.442	3.060	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cc(C)c([N+](=O)[O-])cn1	80605567	GYWOWLUOYVCQRH-UHFFFAOYSA-N	300.362	3.285	10	20	DGCD	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NCc2ccccc2O)C1	382452239	GIPKYDQFHHVTMQ-DZGCQCFKSA-N	320.433	3.175	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC2CCOCC2)c1	195437821	YLMKKUNMRJOIRH-UHFFFAOYSA-N	312.413	3.311	10	20	DGCD	
CCc1cnccc1C(=O)NCc1c(C)c2ccccc2n1C	348661634	OZCXSRSOJNNRPC-UHFFFAOYSA-N	307.397	3.374	10	20	DGCD	
CC/C=C(\C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	269849091	TVSHGTMIMHNTCP-KAMPRCONSA-N	303.402	3.256	10	20	DGCD	
CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1O	278369215	BYUNYPIBLQJQHP-RKDXNWHRSA-N	319.232	3.216	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(NC(N)=O)cc2)c(O)c1C	273425697	TZHSJEQHBZFMME-ZDUSSCGKSA-N	313.401	3.350	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2nccn2C)cc1F	272882779	YBJWNFOLMFDBNG-UHFFFAOYSA-N	304.413	3.037	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc(F)ccc2O)cc1[N+](=O)[O-]	273596479	QWXVJDMCNWVVLW-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
CC[C@@H](NC1CCC2(CC1)OCCO2)c1ccc(C)cc1O	280161121	QQRZMHFJIUYUFT-MRXNPFEDSA-N	305.418	3.427	10	20	DGCD	
C[C@@H](O)CCCNCc1ccc(N(C)C)cc1C(F)(F)F	280533090	IPWRAGYRHAPHJH-LLVKDONJSA-N	304.356	3.022	10	20	DGCD	
COc1cccc(CN[C@H]2CCc3c(cccc3OC)C2)c1O	289538060	WOCGCCSVPKUAJV-HNNXBMFYSA-N	313.397	3.057	10	20	DGCD	
CC[C@H](NCCOCCOC)c1cc(Cl)cc(Cl)c1O	287531039	DPZHVYCUVCGXCO-ZDUSSCGKSA-N	322.232	3.403	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@H](C)C1	282429593	HISVPVZASAKHTR-CABCVRRESA-N	305.418	3.336	10	20	DGCD	
CC(C)c1occc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	280759888	HYRYXCICEHYPNQ-NSHDSACASA-N	303.358	3.175	10	20	DGCD	
CC[C@@H](NCCCO[C@@H]1CCOC1)c1cccc(Cl)c1O	287677331	MLKVMVIBZGABNX-IUODEOHRSA-N	313.825	3.282	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCOCc3ccccc32)c1O	280296309	FLYIERARCRXXKL-UHFFFAOYSA-N	315.344	3.271	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CCCCC2(F)F)c1	295110230	LMRGIIGYHBFCRT-LLVKDONJSA-N	300.305	3.216	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	808094982	MPQWNQDYPQRNPC-MELADBBJSA-N	308.418	3.320	10	20	DGCD	
Cc1nccnc1CCN[C@H](C)c1cc2c(cc1O)CCCC2	295007783	MLUBSHYAFPUOJD-CYBMUJFWSA-N	311.429	3.263	10	20	DGCD	
COc1cc(Cl)cc(C(=O)NCc2ccc(N(C)C)cc2)c1	814255139	XTRKGENFVQTWCP-UHFFFAOYSA-N	318.804	3.345	10	20	DGCD	
COc1cccc(CNc2cc(C)c([N+](=O)[O-])cc2F)c1O	812457786	UPRMVPRYDKTESF-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
COC(=O)N1CCC(CN[C@H](C)c2c(C)cc(C)cc2O)CC1	815626087	VIOJCGSAOQYNJF-CQSZACIVSA-N	320.433	3.138	10	20	DGCD	
CC(C)[C@]1(CO)CCCN(Cc2cc(Cl)c(F)cc2O)C1	816662580	SBRIQYCSUSYCKH-MRXNPFEDSA-N	315.816	3.415	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)c3cc(C)on3)C2)cc1	818342097	LMIXMTMVZRARMC-LSDHHAIUSA-N	315.417	3.169	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2c[nH]c3ccccc23)c1	728983554	BFPNQPBRIYPGFI-LBPRGKRZSA-N	324.380	3.302	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(N)c(C)c2)cc1	827340480	BRVSZGAJRJZXOV-UHFFFAOYSA-N	311.429	3.353	10	20	DGCD	
CCN(CC)c1ccc(CN(CC(F)F)C[C@@H](C)O)cc1F	825099470	ZZHHBLJQRCPNNK-GFCCVEGCSA-N	318.383	3.120	10	20	DGCD	
COc1ccc(O)c(CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1	839192785	TUJZQTCYVGOGHR-JKSUJKDBSA-N	307.434	3.473	10	20	DGCD	
CC[C@@H](COC)NC(=O)N(C)Cc1ccc(N(CC)CC)cc1	738502071	AKKGYOHAAJOPCM-INIZCTEOSA-N	321.465	3.099	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@@H]2CCc3cccc(O)c32)cc1C	834910137	FRFVTJLHHOOLIW-QZTJIDSGSA-N	311.425	3.190	10	20	DGCD	
Cc1cc(C)c(C(=O)COC(=O)c2cc(O)cs2)cc1C	731911887	MWSXUCTZXDJUKO-UHFFFAOYSA-N	304.367	3.419	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@@H]1C1CC1	839922690	YICSTAPOCHTQRB-VHSSKADRSA-N	300.446	3.154	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(Cl)cc1	839791234	DESXRPYGRFBRLU-OTVXOJSOSA-N	318.804	3.001	10	20	DGCD	
Cc1cc(O)c(CN2CCc3ccccc3[C@@H]2C(=O)O)cc1C	833747243	UIIQGXYXKAMKRO-GOSISDBHSA-N	311.381	3.193	10	20	DGCD	
Cc1ncc(CNCc2cc(Br)cc(C)c2O)o1	839168360	AADVDXVJDSJQQR-UHFFFAOYSA-N	311.179	3.049	10	20	DGCD	
C/C(=C\C(=O)N1CCCc2c(C)ccc(F)c21)c1cnccn1	839281953	GTEDPWMTPXMWKN-JLHYYAGUSA-N	311.360	3.307	10	20	DGCD	
CCCOc1ncccc1CN[C@@H](C)c1cccc(OC)c1O	846143474	IVUNVDTVPDIXFE-ZDUSSCGKSA-N	316.401	3.435	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)c1scnc1C1CCCC1	910947514	GIHGTSQYKIVVNU-UHFFFAOYSA-N	318.398	3.142	10	20	DGCD	
CCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccc(OC)c(C)c1	1004662355	ZDNNDAKPBJQVRZ-DOTOQJQBSA-N	318.461	3.273	10	20	DGCD	
CCCNCCNCc1ccc(OCc2ccccc2)cc1O	841047285	ZBGMVOUQGAKYRM-UHFFFAOYSA-N	314.429	3.060	10	20	DGCD	
CN(C)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1	743717677	RFOOUHRQXKITQN-UHFFFAOYSA-N	324.424	3.267	10	20	DGCD	
CCCC(O)(CCC)CC(=O)N[C@@H](C)c1cc(OC)ccc1O	749238546	CTGJREWPINMXKN-ZDUSSCGKSA-N	323.433	3.299	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(C)CCNCC2)cc1F	841058377	WQNLIDPYODENES-UHFFFAOYSA-N	307.457	3.151	10	20	DGCD	
CCOc1ccc(O)c(CN2CCNCc3c(C)cccc32)c1	841089023	GGOFXUQHMVAEOU-UHFFFAOYSA-N	312.413	3.209	10	20	DGCD	
CCOCCN[C@H](C)c1cc(Br)cc(Cl)c1O	756416553	HUOIJOODFJWYCG-MRVPVSSYSA-N	322.630	3.495	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC2CCC(C)(C)CC2)c1	759434959	GPXPGRVLQBJLCM-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)[C@H]2CCCC[C@H]2C)cc1F	757852641	PVWODBAQPSVSOU-CJNGLKHVSA-N	322.424	3.308	10	20	DGCD	
COCC1(N[C@@H](C)c2cc(Br)c(F)cc2O)CC1	756851782	VEOYNWPPYIVIPE-QMMMGPOBSA-N	318.186	3.123	10	20	DGCD	
C[C@H](NCCOC1CCC1)c1cc(Br)ccc1O	756838061	LAFAHZVYZWSWHN-JTQLQIEISA-N	314.223	3.374	10	20	DGCD	
Cc1c(N)cccc1NC(=O)NCCCSc1nccs1	859728594	ZQOCMQYXRREEQG-UHFFFAOYSA-N	322.459	3.338	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1cccc3c1OC(F)(F)O3)CC2	850572140	BMULZUNLEWULNL-LBPRGKRZSA-N	319.307	3.491	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@H](O)c2ccsc2)c2c(O)ccc(F)c21	756592056	IHKNTTLZWRIHSS-LQJRIPTKSA-N	307.390	3.464	10	20	DGCD	
C[C@H](c1ccccc1)N(CCc1cnn[nH]1)Cc1ccccc1O	851880371	XDZAWJJEOPYVTB-OAHLLOKOSA-N	322.412	3.316	10	20	DGCD	
COc1ccccc1OCCN[C@H](C)c1cc(C)ccc1O	756374144	XZYQHXCMEFKKAD-CQSZACIVSA-N	301.386	3.439	10	20	DGCD	
CCc1cccc(CNC[C@@H](C)CNC(=O)OC(C)(C)C)c1O	697909846	YKQCMCXGYOCSKN-CYBMUJFWSA-N	322.449	3.205	10	20	DGCD	
COc1cc(Cl)c(CNCc2ccccc2O)cc1OC	865441409	CYNNYIFFGDIETP-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
COc1ccc(N2CCC(NCc3ccc(O)cc3)CC2)cc1	765618820	HDXZFPLYVLBQPY-UHFFFAOYSA-N	312.413	3.159	10	20	DGCD	
Cc1cc(CN2C(=O)CN(C3CC3)C2=O)c(C)n1-c1ccccc1	863532960	OBAWSZQXXXBQEG-UHFFFAOYSA-N	323.396	3.021	10	20	DGCD	
COc1cccc(CNCc2ccc(N3CCCC3)cc2)c1O	1117581581	INGOFUJSSOLIJV-UHFFFAOYSA-N	312.413	3.291	10	20	DGCD	
C[C@H](NC(=O)N1C[C@H]2[C@@H](C1)C2(C)C)c1ccc(N(C)C)cc1	773613300	PRULPGMOHPGZML-VBNZEHGJSA-N	301.434	3.111	10	20	DGCD	
C[C@@H](NC(=O)CCCc1ccccn1)c1ccc(N(C)C)cc1	773016721	ATRQLBMCFUGKMD-OAHLLOKOSA-N	311.429	3.348	10	20	DGCD	
CC(C)C[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1	775652774	SLCBNAQRIPZJEN-HXUWFJFHSA-N	315.505	3.449	10	20	DGCD	
CC[C@H]1CN(c2nnc(-c3sccc3O)n2CC)CCS1	1121763853	MQQPZIFFBPGCMC-JTQLQIEISA-N	324.475	3.064	10	20	DGCD	
C[C@H](NC(=O)N1CC[C@H](C2CC2)C1)c1ccc(N(C)C)cc1	773615373	WLPPVQAHXLSCGE-BBRMVZONSA-N	301.434	3.255	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@@H](OC)C(F)(F)F)cc1	777007447	MMMQDERJPJWJEO-SMDDNHRTSA-N	304.356	3.371	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@H](C)c2c(O)cccc2F)cc1	886596250	ABBIVEPGLHWQPX-HIFRSBDPSA-N	303.377	3.094	10	20	DGCD	
C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CO1	784312010	HYHIZAHAUVXPPJ-NVXWUHKLSA-N	316.445	3.060	10	20	DGCD	
C[C@@H]1COC[C@@H]1NCc1ccc(OCc2ccccc2)cc1O	896737353	RRYAZBNSYZBJSG-KDOFPFPSSA-N	313.397	3.096	10	20	DGCD	
CCOc1ccc(CN2CCC[C@]2(CO)CC(C)C)c(O)c1	789593770	VTVDUVXZFDVKIS-GOSISDBHSA-N	307.434	3.164	10	20	DGCD	
CCN(CCCN1CCCCC1)c1ccc(OC)c(OC)c1	781897995	FHYXAAJPAGPMFQ-UHFFFAOYSA-N	306.450	3.406	10	20	DGCD	
COc1cc(C)cc(CNCCCCN2CCCC[C@H]2C)c1O	894180757	PXBASOIOENSFLX-MRXNPFEDSA-N	320.477	3.453	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCCC[C@@H]2O)c(C(F)(F)F)c1	793091133	AUCBUACFKSMUQJ-GJZGRUSLSA-N	316.367	3.165	10	20	DGCD	
COc1cc(C)cc(CNCc2ccnc(SC)c2)c1O	894416569	UYRFJBIFNVTYFS-UHFFFAOYSA-N	304.415	3.116	10	20	DGCD	
CNC(=S)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799898857	WZRMPKKQDZYXTO-LLVKDONJSA-N	311.882	3.170	10	20	DGCD	
O=C1CCN1c1cccc(NCc2c(O)cccc2Cl)c1	790496907	QTYBOTUGBYGZCH-UHFFFAOYSA-N	302.761	3.394	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2C[C@H](O)C2(C)C)c(C(F)(F)F)c1	793095092	YJHHJBVLCKBTGO-KGLIPLIRSA-N	316.367	3.020	10	20	DGCD	
CCN(Cc1ccc(N)cc1)Cc1ccc(OC)cc1OC	1334774781	NUYJIECKPSIPST-UHFFFAOYSA-N	300.402	3.308	10	20	DGCD	
CCOc1ccc(CN(C)C(=O)NCc2ccc(N)cc2)cc1	1346739442	QSDXSMPCIHKRFF-UHFFFAOYSA-N	313.401	3.009	10	20	DGCD	
CN(Cc1cc(Cl)cc(Cl)c1O)C[C@H]1CCCN1C	211709936	HKFUMWARCFCAMN-GFCCVEGCSA-N	303.233	3.225	10	20	DGCD	
O=C(O)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1O)CC2	1602421401	FNKBSGBXRIWELL-UHFFFAOYSA-N	317.772	3.302	10	20	DGCD	
Nc1ccc(CCNC(=O)c2ccc(F)c(Cl)c2F)cc1	1580443550	PIHHYUUSOUSTLF-UHFFFAOYSA-N	310.731	3.173	10	20	DGCD	
Cc1cccc([C@H](NCc2cccc(Cl)c2O)C(=O)O)c1	1594398039	PNVWJHCYJVBMSX-AWEZNQCLSA-N	305.761	3.270	10	20	DGCD	
C[C@H](NCCc1cccc(F)c1)c1cc(C(=O)O)ccc1O	1593273185	CWHMGOYETOTKED-NSHDSACASA-N	303.333	3.123	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)CC(C)(C)OC)CC2)cc1	157401085	ZIGVBVPHBOUQNW-OAHLLOKOSA-N	320.477	3.457	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](C)Cc2ccc(F)cc2)c1O	105650999	QNSUQRHDOPBLHI-GFCCVEGCSA-N	317.360	3.035	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ccccn3c2)c1	118785839	IVMNYZWEKXPMRQ-GFCCVEGCSA-N	310.353	3.145	10	20	DGCD	
C[C@@H](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	183426700	HOWWJFPBKPAZOJ-UONOGXRCSA-N	313.397	3.339	10	20	DGCD	
CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(F)c(F)c1O	187754945	DDANUTCSZLZXBW-BXKDBHETSA-N	322.359	3.010	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C2CCCC2)C2CC2)cc1F	121682014	JQODOZZYCDAVIB-UHFFFAOYSA-N	320.408	3.204	10	20	DGCD	
CC(C)[C@@H]1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	317336491	FQALECBWGJGRKY-RYWCDNDXSA-N	304.346	3.175	10	20	DGCD	
CN(CC(=O)NCC1CC1)c1ccc(OCc2ccccc2)cc1	189643733	AOFZQWZXROZMQC-UHFFFAOYSA-N	324.424	3.228	10	20	DGCD	
C[C@H](NCCC1(C)OCCO1)c1cc2c(cc1O)CCCC2	183895780	QVTZRCOAWNRMTJ-ZDUSSCGKSA-N	305.418	3.075	10	20	DGCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1F	120094493	JXVDXUQSZNNVHH-VIFPVBQESA-N	308.284	3.429	10	20	DGCD	
C/C=C/C[C@H](CO)N[C@H](C)c1ccc(Br)cc1O	186510101	VLFYEHOPFGMVLU-ISBNUJHVSA-N	314.223	3.132	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)ccc21	181628427	VVSMCLAXZLIYNQ-QRQLOZEOSA-N	314.473	3.362	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1ncnn1CC(C)C	182817217	PSKILLVCCJTONV-UHFFFAOYSA-N	302.422	3.052	10	20	DGCD	
COCc1ccc([C@H]2CCCN2Cc2cc(OC)ccc2O)o1	137072874	STWWLMMIXFCRSA-MRXNPFEDSA-N	317.385	3.477	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Oc1cnn(C)c1	192884901	MZNNWJOCPWJGQX-UHFFFAOYSA-N	301.371	3.108	10	20	DGCD	
CC[C@H](NC[C@](C)(O)CC)c1cc(Br)ccc1O	87011732	KUFFPFOGWGXKSY-GXTWGEPZSA-N	316.239	3.356	10	20	DGCD	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(N)cc1	236826982	XJZILQVTJRHRAO-SFHVURJKSA-N	321.380	3.172	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)cc1	93637865	FNVMYWQYDMOFKN-NRFANRHFSA-N	322.452	3.427	10	20	DGCD	
COc1cccc([C@H](CNCc2cc(C)ccc2O)OC)c1	527736331	KSVAEIHOLINAOM-SFHVURJKSA-N	301.386	3.187	10	20	DGCD	
COc1cc(F)cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	273459252	HSXGBFGYDUWUKM-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
Cc1ccc([C@H](C)NCc2cccc(C(=O)NC3CC3)c2)c(O)c1	273624136	ZXMYCHGFQSLCKK-AWEZNQCLSA-N	324.424	3.444	10	20	DGCD	
C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1O	273533096	WSTCRAXBSGXLMK-WCQYABFASA-N	311.809	3.382	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(Cl)nc2)c1	273435605	WVMQXAIFLNPQFK-SNVBAGLBSA-N	320.776	3.078	10	20	DGCD	
COc1ccc(O)c(CN[C@@H]2COc3c(Cl)cccc32)c1	362033758	VHHROUVGMSMSCN-CQSZACIVSA-N	305.761	3.278	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2cccc([N+](=O)[O-])c2)c1	273516690	SPANMGQDCXYVSB-GFCCVEGCSA-N	316.357	3.202	10	20	DGCD	
CC[C@H](N[C@@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1O	287724841	OSZUXXUOGSQDHH-RISCZKNCSA-N	310.825	3.096	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(C)nc(O)c1	282495139	MWQWCIJQUTYJSA-UHFFFAOYSA-N	314.385	3.244	10	20	DGCD	
CC1CC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	805188811	NEVCTSWZFFFQEV-UHFFFAOYSA-N	303.189	3.297	10	20	DGCD	
CCn1cnnc1NC(=O)c1sccc1-n1c(C)ccc1C	803530222	GCZMQISATAHNAN-UHFFFAOYSA-N	315.402	3.019	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H]2COc3ccccc32)c1O	290071076	FWGLLSUOKNHFFL-GFCCVEGCSA-N	319.788	3.320	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)[C@H](C)CC	297985353	CCTKCVHZCBOCFS-RHSMWYFYSA-N	322.449	3.375	10	20	DGCD	
CCOc1ccc(N(C)Cc2nn(C)cc2Br)cc1	814624172	NQVWYMSARFITIB-UHFFFAOYSA-N	324.222	3.218	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](C)C3CC3)C2)cc1	819582096	HQLDJOURHGBCPZ-GJZGRUSLSA-N	316.445	3.074	10	20	DGCD	
C[C@@H](NCCC1CC(O)C1)c1cccc(C(F)(F)F)c1O	815621117	LWMKJHDZHPQQCV-KPPDAEKUSA-N	303.324	3.223	10	20	DGCD	
C[C@H](NC1CCNCC1)c1ccc(N2CCCCCC2)cc1	817935064	FKNLIOPRXUOHHR-INIZCTEOSA-N	301.478	3.470	10	20	DGCD	
COCCOC[C@H]1CCN(Cc2ccc3ccccc3c2O)C1	816516379	CXNGSOKNJQPNPK-HNNXBMFYSA-N	315.413	3.030	10	20	DGCD	
CC(C)(C)C(C)(C)CN1C(=O)CN(Cc2ccccc2O)C1=O	819169996	RAYZKYVBFISHEK-UHFFFAOYSA-N	318.417	3.229	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)c2n[nH]c(C(C)C)n2)cc1Cl	825396786	XTOJUDWWLFYQFR-JTQLQIEISA-N	308.813	3.446	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1C[C@@H](C2CC2)[C@H]1C1CC1	824940916	FQKSRBFYTKDPEL-VQTJNVASSA-N	312.457	3.144	10	20	DGCD	
Cc1cc(O)c(CN(C)[C@@H](C)C(=O)NC(C)(C)C)cc1Cl	825556336	QEFZWQVYICWSQZ-NSHDSACASA-N	312.841	3.089	10	20	DGCD	
CCC(C)(C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	824685485	FKKXRCHXKQTUMQ-AWEZNQCLSA-N	319.449	3.009	10	20	DGCD	
CCN(C(=O)CN[C@H](C)c1ccc(F)cc1O)c1ccccc1	903197484	PIQMDZHPYQQDCB-CYBMUJFWSA-N	316.376	3.235	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H](C)Cc2cnn(C)c2)cc1	834897779	VQRHHMYXZDQGCS-CABCVRRESA-N	300.450	3.158	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)C(=O)OC(C)(C)C)cc1F	740007020	QUHXMMGREAQJRW-ZDUSSCGKSA-N	324.440	3.492	10	20	DGCD	
CCc1cccc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O	848885306	SOJNEBKXEKSFQO-ZDUSSCGKSA-N	322.449	3.300	10	20	DGCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C(C)(C)C1	746755393	PRQWBUAZMWTNSO-GFCCVEGCSA-N	307.413	3.222	10	20	DGCD	
CCN(CC(=O)N(C1CC1)[C@@H](C)C1CC1)c1ccc(OC)cc1	746108000	UVEOQPXCBVINEI-AWEZNQCLSA-N	316.445	3.311	10	20	DGCD	
C[C@H](N)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	843052160	IRIUQYXCGPZYNF-INIZCTEOSA-N	301.478	3.236	10	20	DGCD	
COC[C@]1(C)CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	840105991	HGSNXVWNLZPVJD-GOSISDBHSA-N	307.434	3.254	10	20	DGCD	
COc1ccc(CNCCc2cn3c(C)cccc3n2)cc1C	842782595	PLZGXYXCAKSZDL-UHFFFAOYSA-N	309.413	3.292	10	20	DGCD	
CO[C@@](C)(C1CC1)[C@H](C)NCc1cc(Cl)cc(F)c1O	840961020	PKBJIANFXWJULI-BJOHPYRUSA-N	301.789	3.478	10	20	DGCD	
CCc1cccc(CNCc2ccnc(OC(F)F)c2)c1O	848911700	YEBPYIVSOLUKBM-UHFFFAOYSA-N	308.328	3.241	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCO[C@]2(CCSC2)C1	840937485	VAKJYIAFYXZKFC-FUHWJXTLSA-N	320.502	3.205	10	20	DGCD	
C[C@@H](NCC(C)(C)OCC1CC1)c1cc([N+](=O)[O-])ccc1O	840877410	WJOUFKWSBNTNBY-LLVKDONJSA-N	308.378	3.156	10	20	DGCD	
CN(C)c1ccc(CNc2ncc3c(n2)CCCC3)cc1F	840251989	SPGPENSHDJUHTI-UHFFFAOYSA-N	300.381	3.173	10	20	DGCD	
CCN(Cc1cc(Cl)cc(C(C)=O)c1O)C[C@H]1CCOC1	750046906	IDTFCHDYJPDUPO-GFCCVEGCSA-N	311.809	3.107	10	20	DGCD	
CCC[C@@H](OCC)C(=O)NCc1ccc(N2CCCCC2)cc1	858835780	KQLLMEOMJJFMFL-GOSISDBHSA-N	318.461	3.498	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cccc(CCO)c2)cc1F	858174243	QAYYNNCONIZQOF-UHFFFAOYSA-N	306.356	3.178	10	20	DGCD	
CCC1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)COC1	755083776	OSJXVPYUBFDIQZ-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccccc2O)cc1	751150501	GPNTWYQQKVVUEC-ZDUSSCGKSA-N	319.426	3.384	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc3c2OCO3)c1	757659863	SNGSNICTRREWHZ-SNVBAGLBSA-N	315.325	3.081	10	20	DGCD	
CCN(CCNC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1	759788054	ZJIPKFFVERRLIS-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc(C(F)(F)F)[nH]2)SC1=S	864087070	OSHIFFHGLYKHIH-FNORWQNLSA-N	306.334	3.255	10	20	DGCD	
COc1cccc(O)c1CN1CCO[C@H](c2ccccc2C)C1	769446015	KPCFKMBHQGBDJD-IBGZPJMESA-N	313.397	3.283	10	20	DGCD	
CCN(CC)C[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	768466746	WAGCSHAJXUTMCU-INIZCTEOSA-N	316.489	3.435	10	20	DGCD	
C[C@@H](c1ccccc1)N(CC[N+](=O)[O-])Cc1ccccc1O	1119767837	ADAKBAIMOYTPIH-AWEZNQCLSA-N	300.358	3.232	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]cc1C1CC1	878986857	YUAYFUAEGQXJCU-UHFFFAOYSA-N	310.397	3.407	10	20	DGCD	
COCC1(N[C@H](C)c2cc(Br)cc(C)c2O)CC1	779048689	ZQCLCCNZONSGAR-SNVBAGLBSA-N	314.223	3.293	10	20	DGCD	
C[C@@H](N[C@H](C)c1nnnn1C1CCCCC1)c1ccccc1O	879648806	ALHNYWBWHKSHDM-CHWSQXEVSA-N	315.421	3.296	10	20	DGCD	
c1cc2c(cc1CNC[C@@H]1COC3(CCCCCC3)O1)CCO2	776959997	XBGANUZIPJYYJU-QGZVFWFLSA-N	317.429	3.177	10	20	DGCD	
COc1ccc(O)c(CN(Cc2ccccc2)Cc2cc[nH]n2)c1	775675901	DYJJUGATFUMYQL-UHFFFAOYSA-N	323.396	3.326	10	20	DGCD	
C[C@H](NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1O	1116584529	HMOQJMNUVXJAQL-ZDUSSCGKSA-N	302.393	3.491	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1C[C@@H](C)Oc2c(F)cccc21	775414862	MJOWPTMNMIOFFE-KTRBRXNASA-N	312.344	3.356	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](CC(C)C)C2)c1O	774887190	PJFYKMJHDUWALH-GFCCVEGCSA-N	308.378	3.177	10	20	DGCD	
C[C@H](NCCOc1ncccc1Cl)c1c(O)cccc1F	886552346	ZPVOEIRWHVEUQW-JTQLQIEISA-N	310.756	3.309	10	20	DGCD	
Cc1cnccc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	777638650	XAGXWMRNZBCXTL-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CCC2(CCCC2)O1	784286758	NCOIGHFRWZYGPO-YVARQFDVSA-N	318.369	3.146	10	20	DGCD	
CC[C@](C)(CO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796284538	LLHKAFOPFBDIFR-OAQYLSRUSA-N	324.468	3.500	10	20	DGCD	
CC[C@H](NCCCNc1ncccn1)c1ccc(C)cc1O	794810623	MIQNUYYHLQYRFE-HNNXBMFYSA-N	300.406	3.034	10	20	DGCD	
CCOc1ccc(N2CCN(CC3CC(OCC)C3)CC2)cc1	1323546065	MJYQSBFPTLQIDQ-UHFFFAOYSA-N	318.461	3.022	10	20	DGCD	
O=C(O)CN(Cc1cc(Cl)cc(F)c1O)C1CCCC1	1602057474	DXUUIJHGLMGUCV-UHFFFAOYSA-N	301.745	3.014	10	20	DGCD	
Cc1cc(C)cc([C@H](O)CSc2ncc(C(=O)O)s2)c1	1607624592	CBMGEYGNGNFAQX-LLVKDONJSA-N	309.412	3.284	10	20	DGCD	
CC(C)c1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](N)C2)c1	1575858862	SSLCGYIBCFGZDE-KGLIPLIRSA-N	316.367	3.227	10	20	DGCD	
C[C@H](C(=O)O)[C@@H](NCc1cc(F)cc(F)c1O)c1ccccc1	1776223462	VQDGKVXRANHZSL-ZUZCIYMTSA-N	321.323	3.222	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1	157618082	OCTJQJSZAAKNMS-FZKQIMNGSA-N	302.393	3.276	10	20	DGCD	
CCC[C@H](O)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	154804640	ZNQQWNMIYRITDX-INIZCTEOSA-N	318.392	3.124	10	20	DGCD	
Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1-c1ccc(F)cc1	41998120	RXGDMACZAXFXKV-UHFFFAOYSA-N	312.348	3.219	10	20	DGCD	
CCc1ccc(CCC(=O)NCc2cccc(OC)c2O)cc1	68488533	AUBRDMMYHMGCPE-UHFFFAOYSA-N	313.397	3.212	10	20	DGCD	
CC(=O)Nc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1	113321762	RFVSTILCTHMESL-UHFFFAOYSA-N	315.392	3.140	10	20	DGCD	
C[C@@H](NCc1nncn1C)c1ccc(N2CCCCCC2)cc1	152332439	IXHRFYQLSOHQJD-OAHLLOKOSA-N	313.449	3.046	10	20	DGCD	
C[C@H](NCc1nncn1-c1ccccc1)c1ccc(N(C)C)cc1	152642497	XESVLEMQZOHSAN-HNNXBMFYSA-N	321.428	3.184	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@]3(C)CCOC3)c2C)c1	157621313	CETVDXYARBKWEX-LJQANCHMSA-N	312.413	3.311	10	20	DGCD	
CCCn1ncc(C(=O)N(C)Cc2ccccc2O)c1C1CC1	158077907	OLVYQGWVSKLXSK-UHFFFAOYSA-N	313.401	3.148	10	20	DGCD	
Cc1cc(C(=O)N(C)[C@H](C)CO)c(C)n1-c1cccc(Cl)c1	160526729	JYJKUSJPZHHUHI-GFCCVEGCSA-N	320.820	3.200	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc2ccccc2c1O)C(=O)NC(C)(C)C	181234559	NJWFXNYZLJONKR-OLZOCXBDSA-N	314.429	3.499	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c(O)c1O	182577279	BLKTYJNOMLLVJT-ZFWWWQNUSA-N	311.381	3.424	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](C)N2CCC[C@H](C)C2)c1	185024011	LTINEIPKWMNXIG-KKUMJFAQSA-N	306.450	3.172	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1O	185639415	TWYFLIYVLBGTQU-AMIZOPFISA-N	322.257	3.218	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H]2CCCO[C@H]2CC(C)C)c1O	186397623	DIYXDWXXJITXSD-SJORKVTESA-N	323.408	3.417	10	20	DGCD	
CCC(C)(C)CNC(=O)NCc1ccc(N2CC=CC2)cc1	190467922	FCLRJBQFLHAGER-UHFFFAOYSA-N	301.434	3.298	10	20	DGCD	
C[C@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1O	191183562	ACXLZIHDMWEBJO-GWCFXTLKSA-N	310.344	3.217	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)c1ccc2c(c1)CCCC2	192718346	ROTOOVRRKWTRCI-UHFFFAOYSA-N	303.383	3.072	10	20	DGCD	
C[C@H](NC[C@H]1CCC[C@@H](O)C1)c1cc2c(cc1O)CCCC2	248531340	XWFKHFQTLDZSAN-GRDNDAEWSA-N	303.446	3.473	10	20	DGCD	
CCOc1ccc(O)c(CN2CCOC[C@@H](C3CCC3)C2)c1	292802122	NRPGJYJAQPNBHQ-INIZCTEOSA-N	305.418	3.039	10	20	DGCD	
CCOc1cccc(CN2CC(C)(C)[C@@H]2c2nccn2C)c1O	294785785	LPEROBJNFWACKN-INIZCTEOSA-N	315.417	3.108	10	20	DGCD	
Cc1cc(C(=O)NCCC(C)(C)CO)c(C)n1-c1ccccc1	295304445	BRCJJVXBTPJVQL-UHFFFAOYSA-N	314.429	3.233	10	20	DGCD	
CC[C@H](C)[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)OC	296660273	ZRWRJBDZXFBWCL-FRQCXROJSA-N	320.477	3.235	10	20	DGCD	
COc1ccccc1C[C@H](C)CC(=O)NCc1ccc(N)cc1	296818417	AJQKDZAINJWFDM-AWEZNQCLSA-N	312.413	3.163	10	20	DGCD	
CCCc1noc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1	298703194	IEANOZXTAAAYIL-UHFFFAOYSA-N	316.449	3.499	10	20	DGCD	
C[C@H](NCC1(CO)CC1)c1ccc(N2CCCCC2)c(F)c1	305117067	FWFSAZHBFNZKSA-AWEZNQCLSA-N	306.425	3.239	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CCC[C@H](C2CC2)C1	368144511	ZTDFJDSZFGHWOK-SFHVURJKSA-N	300.446	3.145	10	20	DGCD	
C[C@@H]1SCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])[C@@H]1C	387761607	FRTXAECPWWMUOT-MRUFAENASA-N	322.386	3.023	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1cccc(O)c1	588535308	SHCFVFIDCMPYTM-XFXZXTDPSA-N	310.397	3.130	10	20	DGCD	
Oc1ccc(Br)cc1CNCC1SCCS1	692888201	IBXNUQSQQZUBOC-UHFFFAOYSA-N	320.277	3.050	10	20	DGCD	
O=C(NCCCn1ccc2ccccc21)c1cc(O)cs1	731865258	MPVGQLWPVRYCFN-UHFFFAOYSA-N	300.383	3.229	10	20	DGCD	
CN(Cc1cnc(-c2ccccc2)nc1)Cc1ccccc1O	732202691	CLEGOPZHZHOKHE-UHFFFAOYSA-N	305.381	3.481	10	20	DGCD	
COc1cccc(C2CCN(C(=O)c3cc(O)cs3)CC2)c1	732279389	LLPRXZFFWXIJGQ-UHFFFAOYSA-N	317.410	3.482	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)COC2(C)CCC2)cc1F	746166307	CGRZIUKDYPXALI-UHFFFAOYSA-N	322.424	3.247	10	20	DGCD	
C[C@H](N[C@H]1CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1	765765018	BWDSYVXHLVHPFM-HOCLYGCPSA-N	305.441	3.171	10	20	DGCD	
CCC[C@@H]1[C@H](C)CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768465572	ISCJFYYHZFJIRK-VMGRFDJRSA-N	305.418	3.219	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H]3[C@H](CCCN3C)C2)cc1	770350974	HJPYXURMEHTWAI-UYAOXDASSA-N	315.505	3.449	10	20	DGCD	
CCc1nn(C)cc1CN(Cc1ccc(N(C)C)cc1)C(C)C	775652260	WNHZTDBAOGTBOO-UHFFFAOYSA-N	314.477	3.459	10	20	DGCD	
CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776244456	JKNCGHGCYLYRTB-WMLDXEAASA-N	319.449	3.024	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(-n3cncn3)cn2)cc1	790244910	OMBOGNPRSGBBPK-UHFFFAOYSA-N	322.416	3.121	10	20	DGCD	
C[C@@H](NCc1cnc2n1CCCC2)c1cc(F)cc(F)c1O	793567504	YPFWNJXJBYGZPJ-SNVBAGLBSA-N	307.344	3.054	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1c(F)ccc(O)c1F	798183043	DZFLQAUEODOBQV-UHFFFAOYSA-N	306.356	3.368	10	20	DGCD	
CO[C@@H](C)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	809718794	YPFNVMSXBYRJHA-AWEZNQCLSA-N	321.421	3.052	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCSC1	811528752	GIMFFXIODOSEDX-QMMMGPOBSA-N	320.241	3.458	10	20	DGCD	
CSC[C@H](CCO)N[C@@H](C)c1cccc(C(F)(F)F)c1O	815582815	PRTPLFXOPVXKEZ-UWVGGRQHSA-N	323.380	3.176	10	20	DGCD	
C[C@H](O)C[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1O	816594943	UDHVTCIPOQMTHF-JQWIXIFHSA-N	301.789	3.310	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccnc(Cl)c1F	824171450	CQVYNMYCLHESLZ-UHFFFAOYSA-N	321.783	3.339	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1cccc(OCC)c1O	827750607	KZPVVAOEGIROML-MAUKXSAKSA-N	321.417	3.002	10	20	DGCD	
C[C@H](C(=O)N[C@H](C)c1ccccc1O)c1ccc2c(c1)OCO2	827946218	AQRPSPVSDNTKGY-NWDGAFQWSA-N	313.353	3.102	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCOc1ncccc1Cl)CC2	834680930	PFSDZBZRFFXBIP-ZDUSSCGKSA-N	304.777	3.097	10	20	DGCD	
C[C@@H]1CC[C@H](CN[C@H](C)c2cc(Br)ccc2O)O1	834915202	PAUSEWDTMXMLIE-CKYFFXLPSA-N	314.223	3.373	10	20	DGCD	
O=C(NCCCSc1nccs1)N[C@H]1CCC[C@@H]2C[C@H]12	838514579	RPPRXPVOQYAZIM-WOPDTQHZSA-N	311.476	3.113	10	20	DGCD	
CC[C@H](NC[C@H](CO)c1ccc(OC)cc1)c1ccccc1O	839184895	MGXAUILXSDWXTB-QAPCUYQASA-N	315.413	3.218	10	20	DGCD	
COc1cc2c(c(OC)c1)N(CCCn1ccnc1C)CCC2	839654801	AKJZDXOHPAFGAF-UHFFFAOYSA-N	315.417	3.052	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CCCC1	840238221	VSWIAMDYBYWDKF-AWEZNQCLSA-N	303.450	3.234	10	20	DGCD	
CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1	840760920	KTFLDGNOMRMKQL-INIZCTEOSA-N	310.388	3.080	10	20	DGCD	
CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(N(C)C)c(F)c1	840955906	AIBHUKZUJXWJCM-MJGOQNOKSA-N	314.404	3.294	10	20	DGCD	
O=C(O)C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	840996956	CKVPVKFFMNDTCD-QGZVFWFLSA-N	316.445	3.364	10	20	DGCD	
C[C@@H](N[C@H]1CCN(CC(F)F)C1)c1ccc(Cl)cc1O	841763097	URXBLBIFPOZPKF-KOLCDFICSA-N	304.768	3.036	10	20	DGCD	
CC[C@@H](N[C@H](C)c1ccccc1O)C(=O)NCc1cccs1	842907925	IJPOVEKZYUSWRF-IUODEOHRSA-N	318.442	3.199	10	20	DGCD	
CN(Cc1cccc(Cl)c1O)C[C@@]1(O)CCc2ccccc21	843422913	YNORCXJHXOQYRT-SFHVURJKSA-N	317.816	3.311	10	20	DGCD	
CCc1cccc(CNCc2ccc(OCCOC)cc2)c1O	848892558	AKKHYOWHLJEDSE-UHFFFAOYSA-N	315.413	3.270	10	20	DGCD	
COc1cc(CN[C@@H](CO)C2CCCC2)c(O)c(C(C)(C)C)c1	850308375	YLSFCCDVVWJGHE-KRWDZBQOSA-N	321.461	3.339	10	20	DGCD	
CC1CCN(C[C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	850542951	DIEZKVGGCXKTMY-UONOGXRCSA-N	321.421	3.071	10	20	DGCD	
CCC[C@@H]1CCC[C@@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	852792693	ZSTXDVYGZKCBHK-JLSDUUJJSA-N	317.477	3.085	10	20	DGCD	
C[C@H](CN(C(=O)c1cc(O)cs1)[C@@H](C)CO)c1ccccc1	854475948	YMZQAUXKFOXZAJ-OLZOCXBDSA-N	319.426	3.080	10	20	DGCD	
O=C(N[C@H](c1cccs1)C1(CO)CCC1)c1cc(O)cs1	855117996	LDTFVGCSMKRKAE-CYBMUJFWSA-N	323.439	3.149	10	20	DGCD	
CC(=O)C1(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CC1	863159669	BBBFKGXZCCJXKJ-UHFFFAOYSA-N	324.424	3.388	10	20	DGCD	
C[C@H](N[C@H]1C[C@@H](CO)C1)c1ccc(N2CCCCCC2)cc1	866414291	CJQWZLNEODACKC-XYJFISCASA-N	302.462	3.489	10	20	DGCD	
CC[C@H](N[C@H](C)[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1	866465793	VKIYWPRTXUYCPQ-SWHYSGLUSA-N	304.356	3.105	10	20	DGCD	
COc1ccc(CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)c(O)c1OC	892203091	QEOZLTWSKRPIIB-RDTXWAMCSA-N	323.433	3.045	10	20	DGCD	
CC[C@H]1c2ccccc2CN1Cc1cc2c(cc1O)OC[C@H]2O	902666449	PYJODNOCLBSDGL-FUHWJXTLSA-N	311.381	3.285	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c[nH]nc12	919749471	ZQCKQMWCVOGUPZ-UHFFFAOYSA-N	306.369	3.415	10	20	DGCD	
CCOc1ccc(O)c(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c1	1322140678	NWVYSNKBGQVTAD-UHFFFAOYSA-N	317.433	3.444	10	20	DGCD	
CC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2O)nc1	1327869028	QEKGNKBPZVUYBT-UHFFFAOYSA-N	309.728	3.150	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@H](C2CC2)C(F)(F)F)cc1F	1329729713	AHJVSYPUOJYVRL-CYBMUJFWSA-N	308.294	3.461	10	20	DGCD	
OCC[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)CC1	1331538997	JBJVGCSTBVQUOU-QGZVFWFLSA-N	302.462	3.271	10	20	DGCD	
CCc1ccc2c(c1)CCN2C(=O)c1ccccc1CCNC	1343084491	ZFVJMHNBPHWKOV-UHFFFAOYSA-N	308.425	3.214	10	20	DGCD	
CC[C@H](C)n1nccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O	1346695966	OSZZJZJSKPYJQJ-RYUDHWBXSA-N	317.389	3.059	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@@H](C)CN)c2C)c1	1579576761	LRGJRSGOQPLDFI-AWEZNQCLSA-N	313.445	3.036	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(C(=O)O)nc2)cc1F	1596288562	OVCNMTDQKBNSRO-UHFFFAOYSA-N	317.364	3.377	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccc(C(=O)O)o2)C2CC2)cc1	1610104774	HGPKLILKPCNZPE-UHFFFAOYSA-N	314.385	3.208	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CSc3ccccc32)cc1	118195708	LXWVXWAAOCDINV-MRXNPFEDSA-N	312.438	3.258	10	20	DGCD	
COc1ccc(N2CCCN(c3ncc(C)s3)CC2)cc1	302823423	FRNKXCSURVQIAL-UHFFFAOYSA-N	303.431	3.177	10	20	DGCD	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(C)Cc1ccccc1O	66046897	ZWNHAKJPIQWOBP-LLVKDONJSA-N	321.323	3.096	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)C[C@H]2C)cc1	179547647	MMBPZBSXESNPTN-RDTXWAMCSA-N	316.445	3.154	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)CSC)cc1	172492026	VNBPBOIAUAYRFA-CYBMUJFWSA-N	309.479	3.084	10	20	DGCD	
Cc1cc(CNC(=O)c2sccc2-n2c(C)ccc2C)on1	61623199	FEMWDBSBPVMDSQ-UHFFFAOYSA-N	315.398	3.382	10	20	DGCD	
Oc1c(Br)cccc1CN[C@@H]1CCCSC1	129238131	GFAFSLNWTZBNOK-SNVBAGLBSA-N	302.237	3.140	10	20	DGCD	
CC(C)CNCc1ccc(N2CCOCC2)cc1C(F)(F)F	120813193	YZUGRNOVXQQDDH-UHFFFAOYSA-N	316.367	3.288	10	20	DGCD	
CCOCCN[C@@H](CC)c1cc(Br)ccc1O	36229076	BOSAKSPCCWQRAM-LBPRGKRZSA-N	302.212	3.232	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]2CCCC[C@@H]21	180894771	NRCLHUWCRNHVPV-SUMGSTKGSA-N	301.386	3.292	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2nncn2-c2ccccc2)c(O)c1	185000059	DBIPTYBIEAARMQ-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCN2CCCC[C@@H]12	315573668	PVBWQJMHXDPRAG-WCVJEAGWSA-N	300.446	3.465	10	20	DGCD	
CCCN(CCNCc1ccccc1O)C(=O)OC(C)(C)C	159274211	HNKWUYCBJAHLJG-UHFFFAOYSA-N	308.422	3.129	10	20	DGCD	
C[C@@H](NC[C@H](CO)c1ccccc1)c1ccc(F)c(F)c1O	187748122	IPZQRMZOZMTSEF-DGCLKSJQSA-N	307.340	3.097	10	20	DGCD	
Cc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1N(C)C	79673142	HMKDWGVHJAQWPF-UHFFFAOYSA-N	313.401	3.431	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(F)ccc1O)c1ccc2[nH]c(=O)[nH]c2c1	321328306	JBNHCRWPDACELV-VHSXEESVSA-N	315.348	3.113	10	20	DGCD	
COc1ccc([C@H](C)CCNC(=O)Cc2ccc(N)cc2)cc1	237239414	BPXHJAHECKUFLW-CQSZACIVSA-N	312.413	3.130	10	20	DGCD	
CC1(NCc2ccc(N3CCOCC3)c(F)c2)CCCCC1	236775184	NCSNKYUBBMFQBE-UHFFFAOYSA-N	306.425	3.475	10	20	DGCD	
C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(N2CCCCC2)cc1	268864335	SZEMEHCQXDLYGB-IUODEOHRSA-N	316.367	3.251	10	20	DGCD	
CC(C)(CNC(=O)c1c(F)ccc(O)c1O)c1cccs1	276662266	YFAQPZRRLLFMSX-UHFFFAOYSA-N	309.362	3.006	10	20	DGCD	
Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccccc1F	377295395	IAMBPRDEMPAXFT-UHFFFAOYSA-N	311.316	3.461	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)COCC(F)(F)F)c1	273585110	NNIAIAGTRDNOHR-NXEZZACHSA-N	307.312	3.019	10	20	DGCD	
CC1(C)CC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	284438824	RUOQMQQFHLUYRB-KRWDZBQOSA-N	306.425	3.065	10	20	DGCD	
CCCN[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	294718909	HXTUYKHXGPWNFD-MRXNPFEDSA-N	317.477	3.023	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC[C@@H]3C[C@H]4C=C[C@H]3C4)C2)cc1	818219411	FIUHEMAIYRXHNL-MHORFTMASA-N	312.457	3.323	10	20	DGCD	
COc1ccc(O)c(CNc2cc(OC)c([N+](=O)[O-])cc2F)c1	811806483	ZISUKDABSLGBHA-UHFFFAOYSA-N	322.292	3.069	10	20	DGCD	
COc1ccc(N(C)Cc2c(F)ccc(O)c2F)cc1OC	816569626	RSHWOOOQPBDEEH-UHFFFAOYSA-N	309.312	3.324	10	20	DGCD	
C[C@H](NCC(C)(F)F)c1ccc(N2CCOCC2)cc1Cl	815644943	QQTCPAVMMTZNHT-NSHDSACASA-N	318.795	3.482	10	20	DGCD	
Cc1cc(CN2CC[C@H](N3CCCC3)[C@@H]2C)ccc1N(C)C	815118666	QYRMEVIPPBEJTF-LPHOPBHVSA-N	301.478	3.120	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](CO)Cc2ccccc2)cc1Cl	825138457	MKGDIIPELFIOED-OAHLLOKOSA-N	319.832	3.295	10	20	DGCD	
CCc1c(C(=O)N[C@H](C)c2ccccc2O)[nH]c(C)c1C(C)=O	827930953	WGGJILIEQDHZNJ-SNVBAGLBSA-N	314.385	3.285	10	20	DGCD	
CCN(C)c1ccc(Cn2cc(CN(C)C(C)(C)C)nn2)cc1	905803823	UJHLCUPQCINJPX-UHFFFAOYSA-N	315.465	3.013	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc2cccnc12	734359722	KXZAROFVLSPXSE-UHFFFAOYSA-N	323.352	3.010	10	20	DGCD	
COc1cc2c(c(OC)c1)N(C[C@@H](O)c1ccccc1)CCC2	839657038	ZDHDSLSANAOAJW-QGZVFWFLSA-N	313.397	3.190	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)s2)cc1OC	832378276	IENGXHHZORLIJO-UHFFFAOYSA-N	307.371	3.100	10	20	DGCD	
CCn1cc(Cl)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1	905449407	VTWNNKOHLSZNLS-UHFFFAOYSA-N	319.836	3.500	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N(Cc1cccs1)C1CC1	588403675	UXHHKKUICUKWEM-YWEYNIOJSA-N	315.394	3.364	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(C)(C)C)n[nH]1	734468334	VAGXSDFRRKGPQH-UHFFFAOYSA-N	314.433	3.012	10	20	DGCD	
CCOc1cc2c(cc1NC(=O)c1cc(O)cs1)O[C@@H](C)C2	732266532	FSNMFKFVMMZSOK-VIFPVBQESA-N	319.382	3.428	10	20	DGCD	
C[C@@H]1CCN(CCNCc2cc(-c3ccccc3)ccc2O)C1	744450211	WNCAQIIFVZGKFR-MRXNPFEDSA-N	310.441	3.491	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@](C)(O)c2ccc(F)cc2)c1O	846156230	CVBFDYJXEMLEHF-KPZWWZAWSA-N	319.376	3.098	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(SC)n2)c1	843830487	HFHZIYZBFAJZOS-JTQLQIEISA-N	318.398	3.009	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)CSCCO)c1C	917400146	GWPZLIHSBGPTCF-UHFFFAOYSA-N	303.427	3.311	10	20	DGCD	
C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](c2ccsc2)O1	841300911	WORJLHXRMQEWGS-NHYWBVRUSA-N	317.414	3.324	10	20	DGCD	
O=C(NCCCSc1nccs1)N[C@@H]1CCCC[C@H]1F	840325386	VIPIPVMDOMLYTC-GHMZBOCLSA-N	317.455	3.205	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CCC(=O)O)c2ccccc2)cc1	841804857	HITSHURZMAYZSM-SFHVURJKSA-N	312.413	3.448	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@H](N[C@H](C)c2cc(OC)ccc2O)[C@H]1C	845970879	FAVAKLZURJCDSF-ZWUHOBOKSA-N	321.417	3.029	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](CCO)c2ccccc2)c1O	846146949	SYKQNQUHPWQDLP-ZBFHGGJFSA-N	315.413	3.218	10	20	DGCD	
CSc1ccc(NC(=O)N(C)Cc2ccccc2O)nc1	752822443	NFTDGQOAOQHAEB-UHFFFAOYSA-N	303.387	3.173	10	20	DGCD	
CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)O1	756934161	OOEOVRGOSJGFDL-RHSMWYFYSA-N	322.424	3.246	10	20	DGCD	
Cn1cc([C@H](NCc2cc(Cl)ccc2O)C(F)(F)F)cn1	858164740	WXKDFHZRWWDZDL-LBPRGKRZSA-N	319.714	3.172	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cccc(N(C)C)n2)c2c(O)ccc(F)c21	756770273	VTVSXOOMLYOEDW-BXUZGUMPSA-N	315.392	3.330	10	20	DGCD	
COc1cccc(COC(=O)NCc2ccc(N(C)C)cc2)c1	858883808	WFXUZCIGYCRBHQ-UHFFFAOYSA-N	314.385	3.188	10	20	DGCD	
Nc1ncc(CN2CCCc3cc(OC(F)F)ccc32)s1	761222243	NVVJNFXGQQXBHM-UHFFFAOYSA-N	311.357	3.280	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1	763477291	FSEFLHOTVZKHBC-GOEBONIOSA-N	316.445	3.106	10	20	DGCD	
CN(C)c1ccc(CNCc2cccnc2Br)cc1	865404480	MJEBSNCPTJWTTA-UHFFFAOYSA-N	320.234	3.200	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]2CC(=O)OC)cc1	769481488	BERHQZWQBHKWLY-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)CCS1	862346852	ZVTXBWZWMGCEMF-LLVKDONJSA-N	300.418	3.358	10	20	DGCD	
Oc1cccc(Br)c1CN[C@H]1CCCc2c[nH]nc21	1118855161	AWLPTKOIGCPHLI-LBPRGKRZSA-N	322.206	3.045	10	20	DGCD	
CC(=O)N1CCN(Cc2ccc(C)cc2O)CC12CCCCC2	876804678	ROFJQLIZGIVJTF-UHFFFAOYSA-N	316.445	3.068	10	20	DGCD	
COCCOCc1cccc(NCc2c(C)cccc2O)c1	876822880	PGNZSDODTDDCNT-UHFFFAOYSA-N	301.386	3.476	10	20	DGCD	
C[C@H](N[C@H]1CCn2ccnc2C1)c1ccc2ccccc2c1O	779061705	MKQKFBRFEWURGK-ZFWWWQNUSA-N	307.397	3.408	10	20	DGCD	
COc1ccc(C(=O)N(C)C)cc1NCc1c(C)cccc1O	876849434	QZGUFQJXRNUANT-UHFFFAOYSA-N	314.385	3.023	10	20	DGCD	
CCCOc1ccc(CNCCc2nnc3ccccn23)cc1C	873009960	XULCLMWCPIPCSY-UHFFFAOYSA-N	324.428	3.159	10	20	DGCD	
CC1(C)C[C@@H](NCc2ccc(N3CCSCC3)cc2)CCO1	872024893	FFZZEAJOIQUCON-INIZCTEOSA-N	320.502	3.287	10	20	DGCD	
COc1cc(C)cc(CNCc2ccc(C(C)(C)O)cc2)c1O	1119445557	NJGUJSFOISWYOO-UHFFFAOYSA-N	315.413	3.226	10	20	DGCD	
COc1cc(C)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1	780269098	PQCPIJYZGVNXMA-UHFFFAOYSA-N	312.413	3.342	10	20	DGCD	
CC[C@H](CNCc1ccc(OC)c(OC)c1O)CC(F)(F)F	894906625	RSBUEUBSKDHBNM-JTQLQIEISA-N	321.339	3.478	10	20	DGCD	
C[C@@H](NCCNC(=O)c1ccc(Cl)cc1)c1ccccc1O	783504771	KROLCOLFVPZQDF-GFCCVEGCSA-N	318.804	3.126	10	20	DGCD	
COc1ccc(CNCC2(OC)CCC(C)CC2)c(O)c1OC	894158559	GRBLCUWDSBBOPI-UHFFFAOYSA-N	323.433	3.094	10	20	DGCD	
C[C@H](O)C[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1O	790934592	NRZXYHORKYGJCC-GWCFXTLKSA-N	301.789	3.310	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCc1cccc2c1OCCO2	790965741	YTBMUVWWGKBZHK-UHFFFAOYSA-N	323.751	3.246	10	20	DGCD	
CO[C@]1(C)CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	794650144	OUGYMXGHRWYINP-GOSISDBHSA-N	307.434	3.396	10	20	DGCD	
CN1CCN(Cc2cc(Cl)cc(Cl)c2O)C(C)(C)C1	769446875	OIAPVSXJGZIFIQ-UHFFFAOYSA-N	303.233	3.225	10	20	DGCD	
CCCN(Cc1noc(C2CCC2)n1)Cc1ccccc1O	1329224853	KBJICBCZVFOHRC-UHFFFAOYSA-N	301.390	3.455	10	20	DGCD	
CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)NCc1ccc(N)cc1	1337018324	KDDCLLPEEIOFLQ-CVEARBPZSA-N	319.449	3.004	10	20	DGCD	
CC1=CCN(c2nnc(-c3sccc3O)n2CC2CC2)CC1	1518347705	XSDNVJDCSKRJKN-UHFFFAOYSA-N	316.430	3.279	10	20	DGCD	
Cc1cc(Cl)nc(CN[C@H](C)c2cc(C(=O)O)ccc2O)c1	1600220167	LNLGHXDDWFFWDU-SNVBAGLBSA-N	320.776	3.298	10	20	DGCD	
C[C@@]1(NCc2cc(Cl)c(F)cc2O)CCCC[C@H]1C(=O)O	1609823238	IAFZLOCVZZNKPZ-ZUZCIYMTSA-N	315.772	3.308	10	20	DGCD	
CCNCc1cccc(NC(=O)N2Cc3cccc(O)c3C2)c1	1577876015	FWNJBADDTKJFTP-UHFFFAOYSA-N	311.385	3.049	10	20	DGCD	
COc1ccc(CN[C@H](C)CCNC(=O)[C@@H](C)C(C)C)cc1C	1753014066	DIYSXDLHYXMHGG-CVEARBPZSA-N	320.477	3.280	10	20	DGCD	
CN(C)c1ccc(OCc2ncccc2Cl)cc1C(=O)O	1598330004	DJNPFCNYXXOGPI-UHFFFAOYSA-N	306.749	3.078	10	20	DGCD	
CCN1CCc2cc(CNC[C@@H](C(=O)O)c3ccccc3)ccc21	1776877452	KEDQUGZETVPFLD-GOSISDBHSA-N	324.424	3.027	10	20	DGCD	
CN(Cc1noc(-c2ccsc2)n1)Cc1ccccc1O	160876640	KNZWXCNGMFOSCV-UHFFFAOYSA-N	301.371	3.136	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc([S@](C)=O)cc1	155187191	OQVAQMAIVJGPAN-JOCHJYFZSA-N	316.470	3.122	10	20	DGCD	
COc1csc(C(=O)NCCCSc2nccs2)c1	176826224	RXCJBETXBJJHQH-UHFFFAOYSA-N	314.457	3.125	10	20	DGCD	
CC[C@H](N[C@@H](C)COC)c1cc(Br)ccc1O	19904826	QMQMBBCPZUBVPU-CABZTGNLSA-N	302.212	3.230	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)C3CCCCC3)C2)cc1	62574829	VTWKQTAIQPFODN-OAHLLOKOSA-N	316.445	3.218	10	20	DGCD	
Cc1cccnc1[C@H](NC(=O)c1ccc(C)c(O)c1O)C(C)C	179501090	IQSMHGPMJCPXSR-CQSZACIVSA-N	314.385	3.237	10	20	DGCD	
CCN(CC(C)(C)O)C(=O)c1ccc(-n2c(C)ccc2C)cc1	176602693	KGNIQTNANWPQCT-UHFFFAOYSA-N	314.429	3.327	10	20	DGCD	
CCOc1ccccc1COC(=O)c1ccc(C)c(O)c1O	110529024	LPJWFQFSWKXIBL-UHFFFAOYSA-N	302.326	3.162	10	20	DGCD	
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cncs1	129949694	LEALMVIXINBAKT-UITAMQMPSA-N	315.785	3.451	10	20	DGCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCOC	78353865	QGYSDCQKGWAQCL-UHFFFAOYSA-N	306.387	3.037	10	20	DGCD	
C[C@H](CN[C@@H](C)c1cc(Br)ccc1O)C[C@@H](C)O	185520693	CEUCTEXSVRSCHD-AXFHLTTASA-N	316.239	3.212	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2cnn(Cc3ccncc3)c2)c1	186389464	LESDUXZYFOJZBW-CYBMUJFWSA-N	324.384	3.214	10	20	DGCD	
C[C@H](NCc1cccc(C(N)=O)c1)c1ccc2ccccc2c1O	192700554	LMQOOHQFTVFWCT-ZDUSSCGKSA-N	320.392	3.495	10	20	DGCD	
CC1CCN(C(=O)CN(C)c2ccc(OC(C)C)cc2)CC1	191581199	XXZLHPNBPRWSPU-UHFFFAOYSA-N	304.434	3.169	10	20	DGCD	
Cc1cc(C(=O)NCC(C)(C)N)c(C)n1-c1cccc(Cl)c1	237579838	GFZKRTIIWIRXKN-UHFFFAOYSA-N	319.836	3.215	10	20	DGCD	
CCOC(=O)CC[C@H]1CCCN(Cc2cc(C)ccc2O)C1	92093942	MZNCVYJXOVAPLB-OAHLLOKOSA-N	305.418	3.256	10	20	DGCD	
Cc1cccc([C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)c1	273114613	BMKMXAFSXXASCR-DBWMJRBXSA-N	323.392	3.436	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCO[C@@H](C(C)C)C2)c1	273482392	MFKGBYUPMIJIIT-DXCKQFNASA-N	321.417	3.033	10	20	DGCD	
CC(C)N1CCC(N(C)Cc2ccc(N(C)C)c(F)c2)CC1	271038554	LKJRAXYDYHZEAM-UHFFFAOYSA-N	307.457	3.196	10	20	DGCD	
CCn1ccnc1[C@H]1CCCCN1Cc1cc(OC)ccc1O	281188447	RYPFJMXFJBYULA-MRXNPFEDSA-N	315.417	3.344	10	20	DGCD	
CCN(CCOC)c1cccc(CSc2nccs2)n1	809956392	LZWGQVDBVGLWKM-UHFFFAOYSA-N	309.460	3.303	10	20	DGCD	
CCCCN(C)C[C@@H](C)NCc1cc(Cl)cc(OC)c1O	811511229	FXNUPEGWJPTBGH-GFCCVEGCSA-N	314.857	3.264	10	20	DGCD	
CCCN1C[C@H](CN[C@@H](CC)c2cc(Cl)ccc2O)CC1=O	817588166	CJQJOYMHHUHWDT-WFASDCNBSA-N	324.852	3.345	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@](CO)(C(C)C)C2)cc1	815232210	TXNQZNSPNCJMPZ-LJQANCHMSA-N	304.478	3.373	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC1=NC[C@H](C)S1	819767403	SYWWAOMICKKJNP-NSHDSACASA-N	319.455	3.377	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1O	828554958	INVVUMKCAGJONS-IEBWSBKVSA-N	302.462	3.188	10	20	DGCD	
C[C@@H](NC(=O)[C@H](C)c1ccc2c(c1)OCO2)c1ccccc1O	827946219	AQRPSPVSDNTKGY-VXGBXAGGSA-N	313.353	3.102	10	20	DGCD	
C[C@@](O)(CN[C@H]1CCc2cccc(O)c21)c1cccc(F)c1	903312297	YQVFQDALIQHCSE-MAUKXSAKSA-N	301.361	3.016	10	20	DGCD	
Cc1ccc2c(COC(=O)c3cc(O)cs3)cc(=O)oc2c1	731911974	OZOUDNVMTBQMTN-UHFFFAOYSA-N	316.334	3.226	10	20	DGCD	
CC[C@@H]1C[C@H]1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	834882991	FQTTYRIJOAONTO-FMKPAKJESA-N	306.425	3.359	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1coc2cc(F)ccc12	748298613	VNCNAJFOVCKUSZ-UHFFFAOYSA-N	313.328	3.479	10	20	DGCD	
CCN(Cc1ccccc1C)C(=O)NCCc1ccc(N)cc1	841961663	GMIMTBSDZQWCLY-UHFFFAOYSA-N	311.429	3.351	10	20	DGCD	
CCOc1ccc(CN2CCNCc3c(C)cccc32)c(O)c1	841088944	DXKIOLMBQCSLIO-UHFFFAOYSA-N	312.413	3.209	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2cc(Cl)ccc2O)[C@H]1SC	846055788	NTWNHZIEDBZFKJ-MRVWCRGKSA-N	301.839	3.044	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CS[C@H](C)C3)CC2)cc1	840856987	SXGJEFSRLVQKLW-UKRRQHHQSA-N	306.475	3.148	10	20	DGCD	
NCCN(Cc1ccccc1)Cc1cc(Cl)cc(F)c1O	843059002	BWRRACPVAKUFDH-UHFFFAOYSA-N	308.784	3.146	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1C[C@H]1C1CCC1	845266862	HOMIOLTVIWLASF-FZMZJTMJSA-N	308.809	3.281	10	20	DGCD	
Cc1ccc(C(C)(C)NCc2cc([N+](=O)[O-])ccc2O)cn1	759186904	VWLJMXBVYLCRSX-UHFFFAOYSA-N	301.346	3.029	10	20	DGCD	
COc1cc(CN[C@@H](CO)CC(C)C)c(O)c(C(C)(C)C)c1	850072287	RHRXAQADJMAOFL-CQSZACIVSA-N	309.450	3.195	10	20	DGCD	
CCC[C@@H](O)CC(=O)N(C)Cc1ccc(N(CC)CC)cc1	750097310	UQVIABOEVQTGIQ-QGZVFWFLSA-N	306.450	3.042	10	20	DGCD	
C[C@H](NCCc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1O	756361440	ZGVFBOHBDHCRJZ-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(O)c1	931152635	VDTCZRXYGLFSTL-CQSZACIVSA-N	324.424	3.195	10	20	DGCD	
COc1cccc([C@H](C)NC(=O)NCc2cc(C)ccc2O)c1	858149616	PYIWNQXURHCHFF-ZDUSSCGKSA-N	314.385	3.270	10	20	DGCD	
CN(Cc1ccoc1)C(=O)NCCCSc1nccs1	759601957	RDJGVXNFZOMJLA-UHFFFAOYSA-N	311.432	3.060	10	20	DGCD	
CCn1cnnc1CCN[C@H](C)c1ccc2ccccc2c1O	756732786	LYGCBQHMCIYAKI-CYBMUJFWSA-N	310.401	3.050	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCSC2)cc1F	762176551	CDLNSYQFRLYWBX-CYBMUJFWSA-N	310.438	3.041	10	20	DGCD	
CC1CCC(NC(=O)[C@H](C)N[C@H](C)c2ccccc2O)CC1	879649733	TXJZJNACSMVBOR-FUUBYGMNSA-N	304.434	3.126	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2Cc3cccc(O)c3C2)c1O	763480560	NYEGESAOXIUJLU-ZDUSSCGKSA-N	319.788	3.017	10	20	DGCD	
Cc1cc(O)c(CNCCn2ccc(C(F)(F)F)n2)cc1C	873157679	GIMHZOBBOYQFTP-UHFFFAOYSA-N	313.323	3.014	10	20	DGCD	
COc1c(C)cc(C(=O)NCc2ccc(N(C)C)cc2)cc1C	773203249	LPOMOUMVMWSDNG-UHFFFAOYSA-N	312.413	3.308	10	20	DGCD	
CC(C)CCc1nnc(NCc2ccc(N(C)C)c(F)c2)o1	777515774	MOVZDDMRMFNKSY-UHFFFAOYSA-N	306.385	3.475	10	20	DGCD	
Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ccc(N(C)C)cc1	770967348	PLVIZOLSHOKBAA-UHFFFAOYSA-N	300.362	3.001	10	20	DGCD	
CCN(C)c1ccc(CN2CCCCC[C@H]2C(=O)OC)cc1	773834910	VJROVEVRIJTQOH-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
CCOC(CCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21)OCC	786971687	XRUYYUXVAWTDDA-AAEUAGOBSA-N	311.397	3.458	10	20	DGCD	
Cc1cccc(-c2cn(Cc3ccc(N(C)C)c(C)c3)nn2)n1	881379107	YJZNUYJSQIXELY-UHFFFAOYSA-N	307.401	3.071	10	20	DGCD	
CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(O)cs2)ccn1	898617089	BBNURBOEISQVTP-UHFFFAOYSA-N	320.370	3.056	10	20	DGCD	
COc1ccc(CN(Cc2ccc(C)o2)C2CC2)c(O)c1OC	891594683	NYXBZSAKIPKTCT-UHFFFAOYSA-N	317.385	3.475	10	20	DGCD	
CCN(CC)c1ncc(CN(C)c2ccc3c(c2)OCO3)s1	780778828	SZIUJZNYIBVHMC-UHFFFAOYSA-N	319.430	3.354	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CCC2(CCCC2)O1	784286756	NCOIGHFRWZYGPO-SDQPKGBYSA-N	318.369	3.146	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@H](N2CCCC2)C1	792167291	KJNIBSLMHXWTCM-LBPRGKRZSA-N	312.816	3.245	10	20	DGCD	
COCCC1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1	793166240	FWUZTMSERXBAJZ-AWEZNQCLSA-N	319.449	3.072	10	20	DGCD	
COc1cc(Cl)ccc1COC(=O)c1cccc(O)c1O	795595896	XKPRFSHCFHHPCT-UHFFFAOYSA-N	308.717	3.117	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@H]2CCC[C@H](C)C2)c(O)c1	792903725	KWMYDKYGPLIPLQ-STQMWFEESA-N	306.406	3.026	10	20	DGCD	
CC(C)(C)c1csc(NC(=O)c2c(F)ccc(O)c2O)n1	790070206	LBTNCQBCTWFHGY-UHFFFAOYSA-N	310.350	3.243	10	20	DGCD	
COc1ccc(CN[C@@H]2CCC[C@H](NC(=O)C(C)C)C2)cc1C	980921091	GZOMYRXVOKJTMQ-SJORKVTESA-N	318.461	3.177	10	20	DGCD	
COc1ccc(CNCCCNC(=O)C(C)(C)C2CC2)cc1C	1164373349	MDZULRMGOXDYHS-UHFFFAOYSA-N	318.461	3.036	10	20	DGCD	
CC[C@H](C)C[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1339509754	MSSAJYJAAOAFCR-JKSUJKDBSA-N	321.484	3.492	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2CC(=O)O)cc1F	1610339687	ZWZWGXOSAXVTJZ-UHFFFAOYSA-N	303.333	3.098	10	20	DGCD	
COc1cccc(CNc2ccc(Br)nc2)c1O	226665452	HLGQNCUOQDCQMP-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
COc1ccc(N(C)Cc2cccc(C(=O)O)c2)cc1OC	1594101207	KLFIEAJVTOEARP-UHFFFAOYSA-N	301.342	3.038	10	20	DGCD	
CC[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccccc1O	156961540	BQBFSUMMKRRSSK-SJLPKXTDSA-N	303.377	3.480	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	159005608	BRKQTIBWPQBOFZ-GHMZBOCLSA-N	317.307	3.083	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@@H]1C[C@H](O)c1ccco1	180271219	ZNMDLUJMBGSTGE-ZBFHGGJFSA-N	305.349	3.212	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@H](C)c2ccccc2)c1O	73498052	HWEVMPYPSGVZAY-ZDUSSCGKSA-N	314.385	3.004	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@H](C)c2ccc(C)cc2O)cc1	185826685	VNABEYRIMMENOO-RDTXWAMCSA-N	315.413	3.484	10	20	DGCD	
O=C(C1CCN(Cc2cccc(Cl)c2O)CC1)C(F)(F)F	187654561	RGMWIYRHVNWTDJ-UHFFFAOYSA-N	321.726	3.389	10	20	DGCD	
C[C@H](NCCCO[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2	185704957	JEKUMYOJWRXXTJ-WMLDXEAASA-N	319.445	3.117	10	20	DGCD	
CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C)cc2O)C1	185657775	FJASGGPQGYOTMG-FQSKDFRHSA-N	309.475	3.431	10	20	DGCD	
C/C(=C/C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	132510876	XBMYPPFAYZWJBW-OWBHPGMISA-N	316.470	3.212	10	20	DGCD	
Cc1c(CNC(=O)c2cc(C(C)C)n(C)n2)n(C)c2ccccc12	348632275	DMPIIKJTNKSGAC-UHFFFAOYSA-N	324.428	3.274	10	20	DGCD	
CS[C@@H](C)CCC(=O)N1CCOc2cc(N(C)C)ccc21	358400851	DHMOZXIWCJVZSG-LBPRGKRZSA-N	308.447	3.010	10	20	DGCD	
Cc1n[nH]cc1CN[C@H](C)c1cc(Br)ccc1O	273515484	SNAFOIGHPOVSJS-SECBINFHSA-N	310.195	3.037	10	20	DGCD	
CC[C@H](NCCCNC(C)=O)c1cc(Cl)cc(Cl)c1O	287897946	ZKNSJXDCDKCGKU-ZDUSSCGKSA-N	319.232	3.266	10	20	DGCD	
CSCCCNC(=O)NCc1c(C)c2ccccc2n1C	471907897	BBHVFPDPKSPPMZ-UHFFFAOYSA-N	305.447	3.039	10	20	DGCD	
COc1ccccc1O[C@@H]1CCCN(Cc2ccccc2O)C1	809711371	VOZSLGKPDUQUGK-MRXNPFEDSA-N	313.397	3.444	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2NCc1cc(Cl)c(F)cc1O	816550548	UQNPOYOTOCBQRP-AWEZNQCLSA-N	321.783	3.450	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCC1(F)F	811512128	DQEWURZJJPLOBU-CQSZACIVSA-N	310.388	3.000	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCOC[C@H](C2CCC2)C1	814178412	PCWIOJBGPPAYEK-CYBMUJFWSA-N	313.800	3.433	10	20	DGCD	
C[C@H](C1CCCCC1)N1C(=O)CN(Cc2ccccc2O)C1=O	819166618	ZFBCTNMZVHKRIQ-CYBMUJFWSA-N	316.401	3.125	10	20	DGCD	
CNC(=O)c1ccc(C)c(NCc2cc(Cl)c(F)cc2O)c1	816525552	YPQCJGQUCIWDRF-UHFFFAOYSA-N	322.767	3.465	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccsc2)c1	728985323	WMCKTUUZQJFAEP-LLVKDONJSA-N	305.399	3.272	10	20	DGCD	
Cc1cccc([C@@H](O)CNCc2cc(Cl)c(C)cc2O)c1	825346758	GFIODMBSFYYPHD-KRWDZBQOSA-N	305.805	3.486	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C(=O)O)c1cccs1	901599584	XEOOIUZMTBQQGR-HNNXBMFYSA-N	304.415	3.038	10	20	DGCD	
CCN(C(=O)CN[C@H](C)c1cc(C)ccc1O)c1ccccc1	903196948	ISQXNRVZZHHWMY-OAHLLOKOSA-N	312.413	3.404	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@@H](C(=O)O)c1ccccc1	833694541	LSYUAIDQHRVMQW-CQSZACIVSA-N	323.751	3.442	10	20	DGCD	
CC1(C)C[C@@H](C(=O)NCc2ccccc2O)c2ccccc2O1	839612487	PXBMSQKIKXQFFP-OAHLLOKOSA-N	311.381	3.353	10	20	DGCD	
CCc1noc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1	917075468	WMMQIHXDSPYHAO-UHFFFAOYSA-N	302.422	3.109	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc(N2CCCC2)c1	830141488	VJLNNSSLXFRZMR-UHFFFAOYSA-N	310.397	3.265	10	20	DGCD	
CSC[C@H](C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840306167	RXAPULXOLJEIIU-KGLIPLIRSA-N	323.506	3.043	10	20	DGCD	
CC[C@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccccc1O	840881067	NLUJEESTJQLWQZ-YOEHRIQHSA-N	303.377	3.348	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@H]2CCN[C@H](C)C2)cc1	841004129	MQZJWIZUXTXGJJ-AEFFLSMTSA-N	303.494	3.353	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1nccn1C	840894452	RNZAYKYOJDFWHE-LSDHHAIUSA-N	300.450	3.076	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@H]([C@@H]2CCCNC2)C1	843126108	GOBXQBFZQUKBRU-KGLIPLIRSA-N	308.853	3.257	10	20	DGCD	
CCOc1cccc(CNCCCC(=O)OC(C)(C)C)c1O	744450330	REZXLZYSBSCXDM-UHFFFAOYSA-N	309.406	3.002	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=S)NC1CCC1	840868505	GLLIHPQCNDHRQN-CYBMUJFWSA-N	305.491	3.009	10	20	DGCD	
CC(C)c1nc(CCNC(=O)Nc2ccc(N)cc2)cs1	841301293	JKRDBTVWQUIONE-UHFFFAOYSA-N	304.419	3.213	10	20	DGCD	
COCCN(Cc1c(O)ccc2ccncc12)C1CCCC1	747790989	GILOPGXBBUVCKB-UHFFFAOYSA-N	300.402	3.331	10	20	DGCD	
C[C@@H]1Cc2cc(CNCc3cc(F)cc(F)c3O)ccc2O1	922702178	WVVDZGUCFIOMTD-SNVBAGLBSA-N	305.324	3.284	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccco1	751308282	UYYKUASEXANUMZ-UHFFFAOYSA-N	304.309	3.242	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1F	757851034	BKRIPFPZZZRIPY-WOSRLPQWSA-N	322.424	3.211	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1O	858479075	IFBSTKXROTUVLQ-KOLCDFICSA-N	320.330	3.051	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCc2ccc(F)cc2C)c1	858289618	OTTABJZWALFCRT-UHFFFAOYSA-N	316.376	3.190	10	20	DGCD	
CCc1nocc1CN1CCCc2cc(OC)cc(OC)c21	852171779	AIRRQQRBKKAJJD-UHFFFAOYSA-N	302.374	3.207	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCc2ccc(C)cc2)c1	756710483	CPPQWOYNPZBCSI-CQSZACIVSA-N	313.397	3.381	10	20	DGCD	
COc1cc(Cl)c(F)c(C(=O)N(C)Cc2ccccc2O)c1	857466925	LUGYUBKGFNSLFC-UHFFFAOYSA-N	323.751	3.466	10	20	DGCD	
COc1cc(C)cc(CN2CCOC(C3CC3)(C3CC3)C2)c1O	853582362	LQWPHMIHLCODNP-UHFFFAOYSA-N	317.429	3.100	10	20	DGCD	
CCc1nn(C)c(CC)c1CN(C)c1ccc(OC)c(OC)c1	761221490	ONNWMCXRFKXXPI-UHFFFAOYSA-N	317.433	3.199	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)c2ccccc2O1	765650379	LQIQOJBNMYRKMC-INIZCTEOSA-N	324.424	3.311	10	20	DGCD	
COc1ccc(CN(C)c2ccc(OCCN(C)C)cc2)cc1	761220566	GVAVKTOATFXHMB-UHFFFAOYSA-N	314.429	3.272	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC(F)(F)C1	763587633	DQDXKIFYDKSEAE-AWEZNQCLSA-N	323.387	3.274	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2cc(F)ccc2C)c1O	774935580	PLIFSLVQGWUDKO-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
COCCOc1ccc(CNCc2ccc(C)cc2O)cc1	876928576	JNEPPIQAQXGIMB-UHFFFAOYSA-N	301.386	3.016	10	20	DGCD	
COc1ncc(/C=C\C(=O)N2CC[C@@H](C)c3ccccc32)cn1	775799708	MBBGXKOLGYKTLY-MEJMFZKBSA-N	309.369	3.039	10	20	DGCD	
CCCCCCN(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773014883	MNPOLYWJPCGECR-INIZCTEOSA-N	319.493	3.442	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(O)c(F)c1)c1ccc(N(C)C)cc1	775412203	UXKUQIYTJOYAGH-LLVKDONJSA-N	302.349	3.088	10	20	DGCD	
C[C@H](N[C@H](C)C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1	774484980	UGSJXXFSQJTSKU-LSDHHAIUSA-N	317.477	3.241	10	20	DGCD	
CC(C)[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1	775652577	NFRIEHWVLJZWLI-LJQANCHMSA-N	301.478	3.059	10	20	DGCD	
CN(C)c1ccc(CNCC[C@](C)(O)c2ccccc2)cc1F	778215150	RDDNYQIPQRBMQP-IBGZPJMESA-N	316.420	3.279	10	20	DGCD	
C[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1	776339898	RDCSYQVMZYITJE-GDBMZVCRSA-N	318.486	3.292	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@@H]1CCCc2c1cnn2C	775732230	MKDYLLBLHRJVML-CQSZACIVSA-N	323.799	3.428	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1N(C)C	776163454	BKMZXOQMMFEQAI-NXHRZFHOSA-N	300.446	3.108	10	20	DGCD	
Cc1cc(C)cc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1	789974390	YOQRJXWTXJOGIV-LLVKDONJSA-N	303.333	3.345	10	20	DGCD	
C[C@@H](NCc1cccc(N2CCOC2=O)c1)c1ccccc1O	783504909	OUDMKQRRPGJGHB-CYBMUJFWSA-N	312.369	3.200	10	20	DGCD	
CCCOc1cc(OC)ccc1C(=O)NCc1ccccc1O	789815753	GLHMGTFGWRAHJC-UHFFFAOYSA-N	315.369	3.120	10	20	DGCD	
COc1ccc(O)c(CN2CCc3ccc(OC)cc3CC2)c1	784679561	KYVYYHOMJNFFFZ-UHFFFAOYSA-N	313.397	3.010	10	20	DGCD	
C[C@H](N[C@H]1CC[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1	798005704	YRGNKTKLZZVZNC-KYNGSXCRSA-N	300.446	3.362	10	20	DGCD	
c1ccc(CN2CCc3cc(CNCc4cc[nH]n4)ccc32)cc1	796286506	DZAVFCHFWZVGHR-UHFFFAOYSA-N	318.424	3.262	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCCC[C@H]1c1cc[nH]n1	795666929	JRQBOHQKBDZWPM-KRWDZBQOSA-N	308.385	3.391	10	20	DGCD	
Cn1cnc2cc(CNCc3ccc(N4CCCC4)cc3)ccc21	1332236197	CEPKIYJDLXSIPN-UHFFFAOYSA-N	320.440	3.463	10	20	DGCD	
COc1cccc(O)c1CN1Cc2ccc(O)cc2C2(CC2)C1	1330081802	QYHFKRNWSUEPEF-UHFFFAOYSA-N	311.381	3.154	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NC/C=C/C2CC2)C2CC2)cc1	1348061407	DVKUAKHNYXSCEO-ONEGZZNKSA-N	313.445	3.393	10	20	DGCD	
O=C(O)c1cnc(SCc2cnc3ccccc3n2)s1	1602534426	AJUPSSYTALEWFO-UHFFFAOYSA-N	303.368	3.077	10	20	DGCD	
O=C(O)[C@H]1C[C@H]2CC[C@H]1N(Cc1ccc3ccccc3c1O)C2	1601790803	FNSAYESWKGXQML-OAUYIBNBSA-N	311.381	3.231	10	20	DGCD	
CC[C@H](N[C@H](CC)[C@@H](C)O)c1cc(Br)ccc1O	386737622	XGZHESWKNOOCHL-WQAKAFBOSA-N	316.239	3.355	10	20	DGCD	
Oc1cccc(Br)c1CN[C@@H]1C[C@H]1C(F)(F)F	865755544	ZHHBCMZZCHTWQE-VXNVDRBHSA-N	310.113	3.195	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(-c2ccccc2)no1	53916206	PCUVCVKYSGBBOS-UHFFFAOYSA-N	308.337	3.319	10	20	DGCD	
CCc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1O	171937753	VDBKGQUYBWMJPF-AWEZNQCLSA-N	312.413	3.414	10	20	DGCD	
CCCN(Cc1ccccc1O)c1ncc(Br)cn1	301748526	HGPQFHWUPSHPEQ-UHFFFAOYSA-N	322.206	3.361	10	20	DGCD	
Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)c1	187616969	OADNKPDWKWPJAV-ZDUSSCGKSA-N	314.385	3.467	10	20	DGCD	
C[C@H](NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1O	183432552	DDXLYPKNEYERAD-GUYCJALGSA-N	302.393	3.485	10	20	DGCD	
Cc1cc(Br)cc(CN2CCCO[C@@H](C)C2)c1O	124587686	FAZXQVLMORVKFC-NSHDSACASA-N	314.223	3.074	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2ccccc2OC)c1	184861449	PKBYEWSTTJIHEA-ZDUSSCGKSA-N	301.386	3.303	10	20	DGCD	
CSCCN[C@@H](C)c1cc(Br)c(F)cc1O	134907993	GRYDWOVCUFXEQV-ZETCQYMHSA-N	308.216	3.307	10	20	DGCD	
CCOc1cccc(CNCc2ccc(N(C)C)cc2)c1O	236947802	DMPVXRBEVXEMPL-UHFFFAOYSA-N	300.402	3.147	10	20	DGCD	
C[C@@H](N[C@@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1	90036403	OZOUYRPVIHVJCB-GDBMZVCRSA-N	304.409	3.422	10	20	DGCD	
CC1(C)CC[C@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)O1	248567618	JSVVYAQRKGQHRZ-IAGOWNOFSA-N	319.445	3.331	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1	246794336	RVSRLBJDMCPUOF-WFGGJUAMSA-N	318.417	3.025	10	20	DGCD	
Cc1cnn(C)c1CN(C)Cc1ccc(N2CCCCC2)cc1	289150583	QEIVVDOSCRZZFQ-UHFFFAOYSA-N	312.461	3.351	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCOC1	280748953	COHXQKIXPNGEDD-WCQYABFASA-N	316.367	3.286	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCC1(OC)CCC1	297168566	AWGPEDNOXQALJX-UHFFFAOYSA-N	320.433	3.273	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCC2(C(=O)N(C)C)CCCC2)c(O)c1	293812339	RRFWDDVMPPKTDA-OAHLLOKOSA-N	318.461	3.308	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@H]2CCc3cccc(O)c32)cc1	296865840	NTEGVVCYVKQPAQ-SJORKVTESA-N	313.397	3.101	10	20	DGCD	
CCc1cc(CN(C)CCOCCOC)c(O)c(C(C)(C)C)c1	808237289	JQQKJENQIHHXNC-UHFFFAOYSA-N	323.477	3.347	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1c(C)ccnc1C	806537277	IPWHENFKUPRELK-UHFFFAOYSA-N	312.417	3.395	10	20	DGCD	
Oc1ccc(CCNc2cnc(-c3ccccc3)cn2)cc1O	813593168	ZCOMAQHTEUHYAE-UHFFFAOYSA-N	307.353	3.209	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@H](C3CC3)C2)c1O	822539404	IFFOZFMZYINBAO-GXTWGEPZSA-N	320.389	3.367	10	20	DGCD	
Cc1cc(CN[C@H](C)[C@H]2CCOC2)ccc1N1CCCCC1	828846623	MCLSRYKJBRBYRV-AEFFLSMTSA-N	302.462	3.500	10	20	DGCD	
Cn1cc(/C=C\C(=O)N(Cc2cscn2)c2ccccc2)cn1	731178261	OHSZOMVFWFTQIF-FPLPWBNLSA-N	324.409	3.123	10	20	DGCD	
COc1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)c1F	588619305	ZGWAXUQXXKWQPW-JLHYYAGUSA-N	320.389	3.291	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3C[C@H]3[C@@H]3C[C@H]3C)CC2)cc1	903253651	LMKOHPIBORYSTD-CODKJTEISA-N	300.446	3.298	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(N(C)C(=O)O)cc2)c1	833733868	UKWQDKVRCRTWBK-UHFFFAOYSA-N	302.330	3.127	10	20	DGCD	
CCN1C(=O)/C(=C\c2cnc3ccc(Cl)cn23)SC1=S	737444718	SPBKYEPUGXBZGA-BJMVGYQFSA-N	323.830	3.209	10	20	DGCD	
Cc1ccc(-c2cc(NC(=O)c3cc(O)cs3)n[nH]2)s1	731872321	DPZNCDZIGCOOPH-UHFFFAOYSA-N	305.384	3.466	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1	746980884	AXCKVNNOGCNOIX-HNNXBMFYSA-N	315.461	3.401	10	20	DGCD	
CCC1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	746978612	WYCQDFDYHSBGIM-UHFFFAOYSA-N	307.413	3.223	10	20	DGCD	
COc1ccc(CNCc2ccc(N(C)C)cc2C)c(F)c1	840939551	VLFXYIBADORDEY-UHFFFAOYSA-N	302.393	3.499	10	20	DGCD	
Cc1ccc(CN(C)c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])o1	920961132	UYAFUSYEZNZGRH-VMPITWQZSA-N	316.313	3.230	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(F)cc2F)c1	756494484	FKSRZVJERYWICG-SNVBAGLBSA-N	321.323	3.308	10	20	DGCD	
CCC(CC)[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)N(C)C	756398394	DPECSNKTHWFWJP-BLLLJJGKSA-N	323.437	3.317	10	20	DGCD	
CSC1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	868515797	SQGMNXYSMCDYNY-ZDUSSCGKSA-N	321.490	3.351	10	20	DGCD	
CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@@H](C)O	863940954	RFODZNXTXFGOQG-QAPCUYQASA-N	314.429	3.117	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC2(C3CC3)CC2)cc1	761636059	DEYDSVXVNBWTIZ-UHFFFAOYSA-N	301.434	3.275	10	20	DGCD	
COc1cc(F)cc(OC)c1CNCc1ccc2c(c1)CCO2	865441753	XQYKGCBMYCWKLY-UHFFFAOYSA-N	317.360	3.068	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(F)c2)cc1	765545940	UZSRCRDBNOFOKA-UHFFFAOYSA-N	306.768	3.475	10	20	DGCD	
Cc1ccc(CNc2ccc(CN3CCCC3=O)cc2)c(O)c1	876821166	BLESYPFSXHFMBB-UHFFFAOYSA-N	310.397	3.435	10	20	DGCD	
C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	779000407	VIIZHNZFPLBWCK-CKEIUWERSA-N	306.425	3.369	10	20	DGCD	
CCc1ccccc1NC(=O)CN(C)Cc1ccc(C)cc1O	876540333	XQYNCBHRRODYIF-UHFFFAOYSA-N	312.413	3.334	10	20	DGCD	
CCCc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)n2ncnc2n1	772300056	YTBSBHYBTMNHRN-ZDUSSCGKSA-N	324.432	3.316	10	20	DGCD	
CCN(CC)C[C@H]1CCN(Cc2ccc(N(C)CC)cc2)C1	773754265	LNRHVJZNFJPIJT-GOSISDBHSA-N	303.494	3.306	10	20	DGCD	
CCOC(=O)CC1CCN(Cc2ccc(N(C)CC)cc2)CC1	773729423	CMOGHPNMBFRYDN-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CCCOc1ccc(CNCCCO[C@@H]2CCOC2)cc1C	873075000	PLZYOMXYZYHCPD-QGZVFWFLSA-N	307.434	3.069	10	20	DGCD	
CSc1cncc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1	770113562	SPJQYSPVJHRYLW-UHFFFAOYSA-N	314.458	3.434	10	20	DGCD	
CC[C@@H](NCc1ccc(C(N)=O)cc1)c1cc(Cl)ccc1O	775482902	GDZLGXWEOYWOIG-OAHLLOKOSA-N	318.804	3.385	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@H]3CCCN3c3ccccc32)c(O)c1O	780937842	GVFUICNCQPJNKW-CYBMUJFWSA-N	324.380	3.035	10	20	DGCD	
CN(Cc1ncc[nH]1)Cc1ccc(N(C)C)cc1C(F)(F)F	894586729	TZNXVJPNOYCPSB-UHFFFAOYSA-N	312.339	3.127	10	20	DGCD	
C[C@H](CN(C)C(=O)OC(C)(C)C)NCc1ccc(N(C)C)cc1	701919191	JBWJJGFFVQDNHT-CQSZACIVSA-N	321.465	3.098	10	20	DGCD	
COC[C@@H]1CCCCN1Cc1c(O)cccc1Br	707130135	YUIOAMLORCMJFY-NSHDSACASA-N	314.223	3.156	10	20	DGCD	
CCN(Cc1ccc(Br)cc1O)C[C@@H]1CCCO1	691678147	OJQWADPQZNQTRX-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCC[C@H]3CCOC3)sc2n1	1325446913	NIPANAARTSLVTL-LLVKDONJSA-N	320.414	3.079	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccc(OCCO)cc2)cc1F	1331270257	DPJVXKWQKIUUOU-UHFFFAOYSA-N	322.355	3.014	10	20	DGCD	
N[C@@H]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]12	228535421	KPPIOEMCUDJPDM-MRCXROJRSA-N	315.244	3.258	10	20	DGCD	
COc1cc(CNCCCNC(C)C)c(O)c(C(C)(C)C)c1	1579153024	OWOKHCXUQOMGAK-UHFFFAOYSA-N	308.466	3.176	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC(C)(C)CC(=O)O)cc1	1596289551	LXOPXOLBINTRPZ-UHFFFAOYSA-N	320.433	3.040	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(F)c1F	115280561	AFPFPNKJZHQPGY-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
COc1ccc2ccc(O)c(CN3C[C@@H](C)OC[C@@H]3C)c2c1	26666617	BRBIVJKQPFIOQF-QWHCGFSZSA-N	301.386	3.163	10	20	DGCD	
COc1ccc(N(CC(=O)c2cccn2C)C(C)C)cc1F	171668514	OSFYDXIBCWXSRL-UHFFFAOYSA-N	304.365	3.271	10	20	DGCD	
NC(=O)CC[C@@H]1CCCN(Cc2c(O)ccc3ccccc23)C1	66080668	GFNSENKXGVXBAU-AWEZNQCLSA-N	312.413	3.023	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1cc(C)c([N+](=O)[O-])cn1	301783303	UGHXACGFPTUCEY-UHFFFAOYSA-N	314.389	3.391	10	20	DGCD	
COC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1C	302389823	JBUJZVNXIGBHFU-GFCCVEGCSA-N	313.401	3.416	10	20	DGCD	
CC(C)CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C	171883471	DAYXHQGAFFESQP-UHFFFAOYSA-N	319.493	3.077	10	20	DGCD	
CCN(Cc1ccccc1O)[C@H]1CCN(c2ccccc2)C1=O	179574448	KILPYDIEGXBXFU-KRWDZBQOSA-N	310.397	3.020	10	20	DGCD	
CCOc1cccc(CNc2cccc([S@@](C)=O)c2)c1O	121793960	ZQOJSUKOHZMCDI-NRFANRHFSA-N	305.399	3.140	10	20	DGCD	
C[C@H](NCc1cccc(N2CCCC2=O)c1)c1ccccc1O	183417694	NERFMRXFNMYSPZ-AWEZNQCLSA-N	310.397	3.370	10	20	DGCD	
CCOC(=O)CCC(=O)CSc1ncc(C(C)(C)C)s1	188077073	WQPFLKBFZQSSQJ-UHFFFAOYSA-N	315.460	3.445	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)CCO)c(C)n1-c1ccc(Cl)cc1	121351105	DWRSCERWOTYPPQ-NSHDSACASA-N	320.820	3.248	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@](C)(O)c2ccc(F)cc2)c1	186189808	RZMZDNBRABRPQU-KZULUSFZSA-N	319.376	3.098	10	20	DGCD	
Cc1ccc([C@@H](C)NCCc2ccc3c(c2)OCCO3)c(O)c1	192902459	VCDFDXVICOPTTA-CQSZACIVSA-N	313.397	3.365	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@H]2CCc3cccc(O)c32)cc1	324044484	UVAMAIRBKIKIHJ-HNNXBMFYSA-N	312.369	3.077	10	20	DGCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccccc1F	192155414	DMGAXNONOLOMSS-UHFFFAOYSA-N	313.375	3.054	10	20	DGCD	
Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3cnn(C)c3)S2)c1	96855704	VZPQWOOSWMUFME-AUWJEWJLSA-N	312.398	3.119	10	20	DGCD	
COc1cccc(CNCc2cc(-c3ccccc3)on2)c1O	237391872	KSIJDUBSOHCABD-UHFFFAOYSA-N	310.353	3.346	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NC2CC(F)(F)C2)C2CC2)cc1	277129023	SDFSRHAISMMNOO-UHFFFAOYSA-N	323.387	3.224	10	20	DGCD	
C[C@@H](NC[C@@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1O	281144226	ORYAGSFWMGDQNP-NXEZZACHSA-N	300.305	3.386	10	20	DGCD	
C[C@@H](CCCO)NCc1ccc(N(C)C)cc1C(F)(F)F	280287169	NGANXQUWRXCLCU-NSHDSACASA-N	304.356	3.022	10	20	DGCD	
CC[C@@H](C)N1CC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	285880208	GFWWUFOTNBDSOU-SSDOTTSWSA-N	316.188	3.143	10	20	DGCD	
C[C@H](CCO)CCNCc1ccc(N(C)C)cc1C(F)(F)F	294683844	BHQHMEOWQUPIIJ-LBPRGKRZSA-N	318.383	3.270	10	20	DGCD	
C[C@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1C(=O)c1cccc(O)c1O	295297018	GSNQRVHDFSRKLB-AEJSXWLSSA-N	317.307	3.289	10	20	DGCD	
COCC1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCC1	803741514	WFVLLAMVZWSERW-UHFFFAOYSA-N	312.413	3.393	10	20	DGCD	
C[C@H](NC[C@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1O	290251035	JWVQVIFKPIKEJD-RYUDHWBXSA-N	314.341	3.127	10	20	DGCD	
C[C@H](NCC1CCNCC1)c1ccc(N2CCCCC2)c(F)c1	817941718	VWWFBNUFXLVYRA-HNNXBMFYSA-N	319.468	3.466	10	20	DGCD	
CCCN(CC)C[C@H](C)NCc1cc(Cl)cc(OC)c1O	811520238	LSVDZPDHLFZGBJ-LBPRGKRZSA-N	314.857	3.264	10	20	DGCD	
Cc1cc(O)c(CNC[C@](C)(O)c2ccc(F)cc2)cc1Cl	825396059	OKOXOCICECRSGP-KRWDZBQOSA-N	323.795	3.490	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](O)CNCc1cccc(Cl)c1O	827733790	OHOJNGWSMLSTKV-BLLLJJGKSA-N	305.805	3.300	10	20	DGCD	
Cc1cccc(CO[C@@H](C)C(=O)N[C@H](C)c2ccccc2O)c1	827955753	DRDDISKNWIRBGU-CABCVRRESA-N	313.397	3.483	10	20	DGCD	
C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(C)C	734532394	LQFWEFGUXCGWTF-GFCCVEGCSA-N	309.429	3.373	10	20	DGCD	
CCN(CCc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1	588403302	DNEKITPPFJRGHM-LUAWRHEFSA-N	311.381	3.202	10	20	DGCD	
CO[C@](C)(C1CC1)[C@H](C)NCc1cc(F)cc(C(C)=O)c1O	839641616	WRYLGORCBXYRMB-GTNSWQLSSA-N	309.381	3.027	10	20	DGCD	
C[C@@H]1CCc2sc(C(=O)NCc3ccc(N)cc3)cc2C1	837303553	XNAAHQYTUXXTGK-LLVKDONJSA-N	300.427	3.385	10	20	DGCD	
CCc1ncc(C(=O)NCCCSc2nccs2)s1	733975195	ZTDUBZPVFPVIAY-UHFFFAOYSA-N	313.473	3.074	10	20	DGCD	
CCOc1ccc(O)c(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c1	830085386	VRXSHUOWUWSTFA-KCXAZCMYSA-N	319.401	3.009	10	20	DGCD	
COC(=O)Nc1cccc(OCc2cc(C(=O)O)oc2C)c1	831210362	OZECTBPIUBQYOZ-UHFFFAOYSA-N	305.286	3.044	10	20	DGCD	
O=C(NCCc1ccc(Cl)s1)NCc1ccccc1O	748461512	MDYYUCSMIVBECU-UHFFFAOYSA-N	310.806	3.149	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@H](c3ccccc3)C2)cc1	841955624	IKSSCCHGPPPPEM-SFHVURJKSA-N	323.440	3.401	10	20	DGCD	
COc1ccc(CNC[C@](C)(C(=O)O)c2ccccc2)cc1C	844940513	WDYZVXBZNCTTMD-IBGZPJMESA-N	313.397	3.136	10	20	DGCD	
Cc1cnc([C@@H](NC(=O)Nc2ccc(N)cc2)C2CC2)s1	841299542	IPHRXISFVQUGOA-ZDUSSCGKSA-N	302.403	3.307	10	20	DGCD	
COc1ccc(CN[C@H](C(=O)O)[C@H](C)c2ccccc2)cc1C	849230540	IEHKPQMIRVPRKA-KDOFPFPSSA-N	313.397	3.350	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@]3(CCSC3)C2)c1O	840141472	BYSINTHHSFHQQS-QGZVFWFLSA-N	307.459	3.428	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](Cn2ccnc2)C(C)(C)C)c1O	846144940	ODWLNABXYFYLIZ-CZUORRHYSA-N	317.433	3.363	10	20	DGCD	
COc1cccc([C@@H](C)NCCOc2cccc(F)c2)c1O	846148070	ZHKSVOWZYWCTLA-GFCCVEGCSA-N	305.349	3.270	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@H](NCc2cc(Cl)ccc2O)[C@@H]1C	846055201	JWEXOJPMPAUULT-SUNKGSAMSA-N	311.809	3.113	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3cnc[nH]3)c2C)c1	749537601	DMFSQUJADLEUEO-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2cccnc2Cl)cc1	844399138	HKLQXVFQGQGHSB-UHFFFAOYSA-N	319.836	3.312	10	20	DGCD	
CC(C)N(CCOC[C@H]1CCCO1)Cc1ccc(N(C)C)cc1	741389292	ZDSLFQKQNOPYDU-LJQANCHMSA-N	320.477	3.159	10	20	DGCD	
C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(C(F)(F)F)c1O	846190499	QNMJKFAVMQBFBY-ZFWZSOMGSA-N	301.308	3.382	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1F	757852643	PVWODBAQPSVSOU-CZUORRHYSA-N	322.424	3.308	10	20	DGCD	
COC(=O)CC1(NCc2cc(Cl)ccc2O)CCCCC1	756132920	SGCFFBGQEYDMEU-UHFFFAOYSA-N	311.809	3.401	10	20	DGCD	
CC(C)(C)CNC(=O)CN(Cc1ccccc1O)C1CCCC1	859138386	DQWJGTFUVDFWDI-UHFFFAOYSA-N	318.461	3.299	10	20	DGCD	
COc1cc(CNC[C@H]2CCCCO2)c(O)c(C(C)(C)C)c1	850077720	PYFLAQXFUXCGTK-CQSZACIVSA-N	307.434	3.357	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1cccc3c1OC(F)(F)O3)CC2	850572139	BMULZUNLEWULNL-GFCCVEGCSA-N	319.307	3.491	10	20	DGCD	
CCO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CC1	858663342	SEKOXYUHAYCKAA-SFHVURJKSA-N	318.461	3.305	10	20	DGCD	
COc1cc(F)cc(OC)c1CNCc1cc(C)ccc1O	865640700	NMVNADHJKRQIRG-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
CCOc1ccc(CN[C@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1	763533070	YYADCPKSIFBOFW-YOEHRIQHSA-N	307.434	3.474	10	20	DGCD	
CCc1cc(CNC2CCN(c3ccc(OC)cc3)CC2)on1	766135613	MGVDOQXMDWMHFQ-UHFFFAOYSA-N	315.417	3.004	10	20	DGCD	
CCOc1ccc(CNc2nnc([C@H]3CCCO3)s2)c(O)c1	865295269	BAAQKUTXTYIBHM-CYBMUJFWSA-N	321.402	3.106	10	20	DGCD	
COc1ccc2c(c1)CCCN2CN1C(=O)[C@H]2CCCCC[C@H]21	766341052	JYRCOOCTGCRGHN-FUHWJXTLSA-N	314.429	3.196	10	20	DGCD	
COc1cc(Br)cc(CN2C[C@@H](C)C[C@H]2C)c1O	769471427	UHPUGHQVPKIPNE-VHSXEESVSA-N	314.223	3.394	10	20	DGCD	
Cc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)sn1	876987152	QLZRQPVYKRGUMG-CQSZACIVSA-N	317.458	3.139	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(Cc3cccc(F)c3)CC2)c1	768251565	OTXQXRLZTWACLL-UHFFFAOYSA-N	314.404	3.158	10	20	DGCD	
Cc1ccc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(O)c1	876512513	QLKWRJYKJZRXEO-OAHLLOKOSA-N	322.412	3.474	10	20	DGCD	
COc1cc(CNCc2cccc(OC)c2O)c(Cl)cc1O	877526936	WJUVOCRTUWUGHI-UHFFFAOYSA-N	323.776	3.058	10	20	DGCD	
C[C@H](NS(=O)(=O)CC1CCCCC1)c1ccc(N(C)C)cc1	773089062	QZFAHXBSXUIIHS-AWEZNQCLSA-N	324.490	3.313	10	20	DGCD	
COC(=O)Nc1ccc(CCNCc2c(C)cccc2O)cc1	877062142	YXAPZBZKQFPFLS-UHFFFAOYSA-N	314.385	3.211	10	20	DGCD	
COC(=O)c1sccc1CN[C@H](C)c1ccc(N(C)C)cc1	775829241	XTSXEGFPVFTGTD-GFCCVEGCSA-N	318.442	3.452	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1ccncc1)c1ccc(N(C)C)cc1	776248919	LJLNLCBMZLSUKL-CQSZACIVSA-N	312.417	3.050	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCN(C2CCCCC2)CC1	775647932	IDFGJOWHAWRATA-UHFFFAOYSA-N	308.853	3.496	10	20	DGCD	
C[C@](O)(CNCc1cc(Cl)cc(F)c1O)c1ccccc1	776175482	RRRLMRCAGZTKMI-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
Cc1nccn1CCOC(=O)c1ccc(-n2c(C)ccc2C)cc1	771873030	ABQBDEDSZZFPCJ-UHFFFAOYSA-N	323.396	3.456	10	20	DGCD	
CCc1cccc(CN(C)[C@H](c2ccccc2)c2nc[nH]n2)c1O	894960601	AQODOUWBXCRPLD-QGZVFWFLSA-N	322.412	3.294	10	20	DGCD	
COc1cc(C)cc(CN(C)CCCCN2CCCCC2)c1O	895682201	CTVQBPGLEUDLML-UHFFFAOYSA-N	320.477	3.407	10	20	DGCD	
CC[C@@](C)(NCc1ccc(OC)c(OC)c1O)c1nccs1	892991499	MKPWDAPUFPDBQT-MRXNPFEDSA-N	322.430	3.281	10	20	DGCD	
CCCC1(CNC(=O)NCc2ccc(OC)cc2O)CCC1	792999051	YOASPGXIRDGJOF-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CO)C(C)(C)C)c(C(F)(F)F)c1	793186327	NYUPALRADWTFCA-AWEZNQCLSA-N	318.383	3.268	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cnc3n2CCCC3)c2c(O)ccc(F)c21	793566235	SPQDRZPCXPHACJ-RISCZKNCSA-N	315.392	3.402	10	20	DGCD	
O=C(NCCCSc1ccccc1)c1cccc(O)c1O	790473232	SVQQPAMWCVGJJY-UHFFFAOYSA-N	303.383	3.010	10	20	DGCD	
COc1ccc2c(c1NC(=O)NCc1ccccc1O)CCC2	792459143	YVZHJAVSRIEHFD-UHFFFAOYSA-N	312.369	3.211	10	20	DGCD	
C[C@@H]1C[C@H](CNCc2ccc(Br)cc2O)[C@@H](C)O1	686514696	GZMZHENHHKLJQD-CKYFFXLPSA-N	314.223	3.058	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@@]3(CCO[C@H]3C)C2)cc1C(C)C	794661305	HDJYCBQYZMVQGV-KXBFYZLASA-N	319.445	3.204	10	20	DGCD	
CCC[C@H](CC)C(=O)NCCCNCc1ccc(OC)c(C)c1	1169435176	RRGIJXVGWSAAMV-KRWDZBQOSA-N	320.477	3.426	10	20	DGCD	
CCc1cccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c1	1323016550	RIEOGRDKNDWKLZ-UHFFFAOYSA-N	312.369	3.053	10	20	DGCD	
CC/C(C)=C/C(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1	1182405119	BCRITJFSCBWPOQ-IDKBZEPQSA-N	316.445	3.050	10	20	DGCD	
CN1CC[C@H]2[C@H](CCCN2Cc2ccc(N3CCCC3)cc2)C1	1261186396	FWKYBICKVSEDPM-QUCCMNQESA-N	313.489	3.203	10	20	DGCD	
C[C@H]1CCC[C@H](OCC(=O)Nc2c(Cl)ccc3nonc23)C1	1342950597	HLIMKWBZXMECBR-UWVGGRQHSA-N	323.780	3.410	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NC/C=C\C2CC2)C2CC2)cc1	1348061406	DVKUAKHNYXSCEO-ARJAWSKDSA-N	313.445	3.393	10	20	DGCD	
CN(C(=O)c1cc(-c2cnn(C)c2)ccc1F)c1ccc(N)cc1	1578387567	OHYYTRLANZQJQO-UHFFFAOYSA-N	324.359	3.085	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)c1ccc(C(=O)O)cn1	1777071247	MCUZRMPIRVYSHS-UHFFFAOYSA-N	311.385	3.016	10	20	DGCD	
O=C(O)C[C@H](NCc1cc(F)cc(F)c1O)C1CCCCC1	1777648369	VMUXTNRXRGNUIR-AWEZNQCLSA-N	313.344	3.184	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1cccc(F)c1	159143297	PVRARITVWCEPKC-NSHDSACASA-N	303.333	3.047	10	20	DGCD	
COc1cccc(CNCc2ccc(Br)cc2)c1O	42352284	VKNCOCYCFKAJFP-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccccc2Cl)c1	114512524	NOXAKJCPRGTYMW-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
COc1ccc(N2CCN(CC=C(Cl)Cl)CC2)cc1	851714355	PNVQWPZHJBBMRY-UHFFFAOYSA-N	301.217	3.136	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)cc2F)c1	175263471	DKOGPPBMYWHXGI-LLVKDONJSA-N	303.333	3.339	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)c3cccc(C)c3)C2)cc1	62574866	TYQSWMFWOZEHAM-INIZCTEOSA-N	324.424	3.260	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2F)cc1F	121693598	FLOZNWWRNPXVFO-OAHLLOKOSA-N	311.303	3.282	10	20	DGCD	
Cc1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cs1	72952780	FMUPWKWGLSGMPP-INIZCTEOSA-N	318.442	3.338	10	20	DGCD	
OCCCN(Cc1cc(F)ccc1O)[C@@H]1CCc2ccccc21	180153377	XLXCDPGXZLUBEH-GOSISDBHSA-N	315.388	3.403	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)Nc3ccon3)cc2)CC1	183601700	IGPFYYQMJNXNPP-UHFFFAOYSA-N	314.389	3.233	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)c1	185183939	UNQKZDKGQYJESV-LSDHHAIUSA-N	312.413	3.056	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1O	186190342	WNSXCOUTFNGOIM-PIGZYNQJSA-N	307.340	3.229	10	20	DGCD	
CSCC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C	133673775	JYBQIYDZXRYHAU-CYBMUJFWSA-N	309.479	3.002	10	20	DGCD	
O=C1N[C@H](c2cccc(Br)c2O)Nc2ccccc21	48622093	RKNNWEQEMYSHGH-CYBMUJFWSA-N	319.158	3.009	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C3(C)CCCC3)CC2)cc1F	84815600	WNYLZYSUOPKUMQ-UHFFFAOYSA-N	320.408	3.063	10	20	DGCD	
CCCN(Cc1ccc(C(=O)OCC)o1)c1ccc(CN)cc1	194981461	BMLHWIOVSOIKOK-UHFFFAOYSA-N	316.401	3.332	10	20	DGCD	
O=[N+]([O-])c1cnc(NCCCSc2nccs2)s1	192454314	GWBLBXPTCBWEDE-UHFFFAOYSA-N	302.406	3.102	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@H](CN3CCCC3)C2)c(O)c1	93597915	UVEPABHFFXGBBC-INIZCTEOSA-N	318.461	3.099	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)C12CCCC2	236899380	OYUMKYPDAJTNEJ-QZTJIDSGSA-N	301.430	3.449	10	20	DGCD	
Cc1cc(C(=O)N(C)CC[C@@H](C)O)c(C)n1-c1ccc(F)cc1	267233477	RVJRVXFGQAOAJB-CYBMUJFWSA-N	318.392	3.076	10	20	DGCD	
COC1(CNC(=O)N(C)Cc2ccccc2O)CCC(C)CC1	279767103	JSLWKKMXHAEESZ-UHFFFAOYSA-N	320.433	3.129	10	20	DGCD	
CCOc1ccc(O)c(CN2CCO[C@H](c3ccccc3)C2)c1	271046490	QVHKEHSDFGRCEQ-IBGZPJMESA-N	313.397	3.364	10	20	DGCD	
Oc1ccccc1CN(Cc1ccc(F)cn1)C[C@@H]1CCCO1	276198327	JCVLUEPMWGHOLX-KRWDZBQOSA-N	316.376	3.108	10	20	DGCD	
C[C@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O	287136574	RYJCBBNPAVCNFL-GUYCJALGSA-N	302.393	3.485	10	20	DGCD	
CCOC(=O)C[C@@H](Sc1ncc(C(C)(C)C)s1)C(C)=O	286450193	INYBLYSNTJKZFI-SNVBAGLBSA-N	315.460	3.444	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]3C)ccc21	641243541	QTCAJFIVEPHCGU-GFCCVEGCSA-N	300.402	3.139	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(C)C1)c1cc(Cl)cc(Cl)c1O	806137096	GVSXAQAOJQKATQ-GXFFZTMASA-N	303.233	3.444	10	20	DGCD	
COC(=O)[C@H](C)N(Cc1cc(Cl)c(F)cc1O)C1CCC1	816591236	YEUJZLYLDDEESE-VIFPVBQESA-N	315.772	3.101	10	20	DGCD	
Cc1ccc2c(c1)CC[C@H]2NC[C@H](N)c1ccc(N(C)C)cc1	817938558	MZMAICANSUOCOG-VQTJNVASSA-N	309.457	3.338	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H](CC(F)(F)F)C1)OCO2	817365391	OTDOCYIIBDDRRD-SNVBAGLBSA-N	317.307	3.285	10	20	DGCD	
COc1ccsc1[C@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817943865	WEHKLBRCWVTNDS-SWLSCSKDSA-N	319.474	3.173	10	20	DGCD	
CC(C)n1cc(C(C)(C)NCc2cc(Cl)ccc2O)nn1	817420181	PCUATRHPRBLITO-UHFFFAOYSA-N	308.813	3.243	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1	728985037	VEECFWALNZGPAG-XUXIUFHCSA-N	303.402	3.404	10	20	DGCD	
Cc1cc(O)c(CNCc2cccc3c2OCCO3)cc1Cl	825038086	QDOVKPAEIFZQFZ-UHFFFAOYSA-N	319.788	3.415	10	20	DGCD	
COc1cc(O)c(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1OC	824941590	PVIOLQCYPLBGTG-KSSFIOAISA-N	303.402	3.030	10	20	DGCD	
Cc1cccc2c1O[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C2	828860844	IPDFAPYIGPLDIL-KBXCAEBGSA-N	324.424	3.242	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@@H](Cc3nc(C)no3)C2)c1	902584565	MXIVBNDBZQPPLB-HNNXBMFYSA-N	315.417	3.155	10	20	DGCD	
CO[C@@H]1COCC[C@H]1CN[C@@H](C)c1cc(Cl)cc(C)c1O	834880788	QUPWUFYQTCFZAS-SLEUVZQESA-N	313.825	3.056	10	20	DGCD	
CCCCCCN(C)CC(=O)NCc1ccc(N(C)C)cc1C	734558383	RXDZTOZFOFDMDK-UHFFFAOYSA-N	319.493	3.189	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc3nonc3c2)c2c(O)ccc(F)c21	903323241	DICBIDUZHWYMGZ-LKFCYVNXSA-N	313.332	3.406	10	20	DGCD	
CC[C@@H](O)[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	900029233	SZPCXBWEBTUIHF-MAUKXSAKSA-N	318.461	3.042	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1[C@H]2CCC[C@H]21	839920467	PSEJPQXOXMDTAH-ZSGPHXLJSA-N	300.446	3.154	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN[C@H]1CCCN2CCCC[C@@H]12	848927826	OIOMPURRZWRXIO-GJZGRUSLSA-N	312.816	3.291	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCCCC1	840931657	YJQZABCJZYQWEG-OAHLLOKOSA-N	303.450	3.188	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC(F)F	849332780	INFYIUCKBTWDGF-UHFFFAOYSA-N	311.376	3.083	10	20	DGCD	
CCN(C(C)=O)c1ccc(NCc2c(O)cccc2Cl)cn1	849347062	PIDCATZCMQFTJQ-UHFFFAOYSA-N	319.792	3.426	10	20	DGCD	
CCN(C)c1ccc(CNCc2cc(Cl)ccc2O)cn1	846055582	NITNAEDAFHGHRD-UHFFFAOYSA-N	305.809	3.187	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H](C(C)(C)C(=O)O)C2)cc1	846284802	ORDKVRCLXSIVCQ-INIZCTEOSA-N	318.461	3.466	10	20	DGCD	
CCCNC(=O)CCCN(Cc1ccc(N(C)C)cc1)C1CC1	846776102	JPEWEEYFSRPCOG-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1C	850417193	PBBWFWQHRMJSCX-AWEZNQCLSA-N	322.449	3.354	10	20	DGCD	
O=C(NCCC1CCC1)NCc1ccc(N2CCCC2)cc1	755125269	BDYIIYPAZIKNRS-UHFFFAOYSA-N	301.434	3.276	10	20	DGCD	
C[C@@H](Nc1cccc2c1oc(=O)n2C)c1cc(F)ccc1O	756855628	LMMWSEOGJMLVAC-SECBINFHSA-N	302.305	3.149	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccnc(N(C)C)c2)C2CC2)cc1	754009301	AYJDJKJCSCBSPY-UHFFFAOYSA-N	324.472	3.378	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C(F)F)c1	865027128	HVRVTMLANSIMOT-UHFFFAOYSA-N	322.359	3.007	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H]3[C@@H](CCCN3C)C2)cc1	770350964	HJPYXURMEHTWAI-AZUAARDMSA-N	315.505	3.449	10	20	DGCD	
Cc1cc(C)c(NC(=O)CNCc2ccc(C)cc2O)c(C)c1	877142756	VPDSJDNGGOKQIT-UHFFFAOYSA-N	312.413	3.354	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1	776309744	MLFKJLXIRCKSLS-VYDXJSESSA-N	316.445	3.137	10	20	DGCD	
CO[C@@]1(C)C[C@H](NCc2cc(Cl)cc(F)c2O)C1(C)C	776220066	JTZKJLUIMBELTR-WFASDCNBSA-N	301.789	3.478	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c2n[nH]cc2c1	775412431	XZOVVNBQMCJECH-ZDUSSCGKSA-N	322.412	3.428	10	20	DGCD	
CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776250596	WBUNSRXRRUWJPP-SQWLQELKSA-N	319.449	3.023	10	20	DGCD	
COC(=O)c1cc(Sc2ncc(C(C)(C)C)s2)ncn1	882090207	PUIDBWSWQGYCED-UHFFFAOYSA-N	309.416	3.168	10	20	DGCD	
CC[C@@H](N[C@H](C)CCCO)c1cc(Br)ccc1O	94942161	NHSOQRQQGJKQRB-ZWNOBZJWSA-N	316.239	3.356	10	20	DGCD	
COc1ccc(CNCc2cc(C)cc(OC)c2O)c(OC)c1	894194759	DPVMYYABMFEPRY-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
CCCN1C(=O)N(Cc2ccc(N(CC)CC)cc2)C(=O)[C@H]1C	794771744	JSVZGMWQDCCOHH-CQSZACIVSA-N	317.433	3.096	10	20	DGCD	
COc1ccc(N2CCN(c3ccnc(C)c3Cl)CC2)cc1	798386075	MCRUMOYEHNCOLG-UHFFFAOYSA-N	317.820	3.379	10	20	DGCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(F)cc1F	70333933	XIJYDNRIDITSOK-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
CCOc1ccc(O)c(CNCc2cccc([N+](=O)[O-])c2C)c1	790998780	KHSJCIPNVXDXGP-UHFFFAOYSA-N	316.357	3.297	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@H](N2CCCC2)C1	133941706	GQLWMSJRJUNRDV-ZDUSSCGKSA-N	315.244	3.369	10	20	DGCD	
C[C@H](N[C@H](C)CC(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1O	1337801402	SCWZGNBWXBDJML-MNOVXSKESA-N	324.377	3.071	10	20	DGCD	
COc1cc(F)cc(NCc2ccc(OC)c(OC)c2O)c1	1342879139	DRVAKCWTUWVMCO-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
C[C@@H](Cc1cccs1)N[C@H](C)c1cc(C(=O)O)ccc1O	1592902828	ORKYNMDQICQBDR-WDEREUQCSA-N	305.399	3.434	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)C(C)(C)CC)c(C)c1	1776856088	LCTKDFCOPXSTBP-MRXNPFEDSA-N	306.450	3.430	10	20	DGCD	
CC(C)Oc1cccc(CNCc2ccc(C(=O)O)cc2O)c1	1776361561	YWLLQGCBQRNHTA-UHFFFAOYSA-N	315.369	3.167	10	20	DGCD	
CCN(C)c1ccc(CNCc2cccc(C(=O)O)c2)c(C)c1	1776856488	FMGGDJSERSKILG-UHFFFAOYSA-N	312.413	3.439	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCC(=O)N2CCCCC2)cc1	163500493	LCQDSSXMJNJOGJ-MRXNPFEDSA-N	317.477	3.196	10	20	DGCD	
CC(C)(C)OC(=O)NC1(CN[C@H]2CCc3cccc(O)c32)CC1	903238726	URFJZDVAUQELOW-ZDUSSCGKSA-N	318.417	3.026	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(c2ccccc2)CC1	115279732	XVPBOAATKBIHFQ-UHFFFAOYSA-N	308.425	3.409	10	20	DGCD	
CC(C)CCOCCN[C@H](C)c1ccc(N2CCOCC2)cc1	119515175	WXHDSOVQPJBNKY-QGZVFWFLSA-N	320.477	3.237	10	20	DGCD	
O=C(N[C@@H]1CCOC1)N(Cc1ccccc1O)C1CCCCC1	179152340	WUQYXLSGVDIXKY-OAHLLOKOSA-N	318.417	3.025	10	20	DGCD	
C[C@@H](CNCc1ccc(N2CCCCC2)cc1)Cn1ccnc1	67500812	ZTTXHFFFSPYWHI-KRWDZBQOSA-N	312.461	3.299	10	20	DGCD	
CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1O	179570290	WNSVMLGMMWJULK-UHFFFAOYSA-N	312.413	3.116	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc2[nH]nc(C)c2c1	66096300	DTTVWHVJLKFJPT-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@H]2CCC[C@H]2C1	121504483	KDJVETJNFOKAFQ-IRXDYDNUSA-N	311.429	3.004	10	20	DGCD	
CC(C)c1nnc(NCc2ccc(N3CCOCC3)cc2)s1	301674276	GQOCGULOPUVOIM-UHFFFAOYSA-N	318.446	3.110	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC3CCOCC3)c2C)c1	64997568	BJSJEKHUBKDKRM-UHFFFAOYSA-N	312.413	3.311	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1ccccc1)c1ccc(F)c(F)c1O	187720124	YMWMBMGAXJWPAZ-PIGZYNQJSA-N	307.340	3.229	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cccc(CN(C)C)c2)c1	184936867	NKWAQTGIKILHSK-AWEZNQCLSA-N	314.429	3.313	10	20	DGCD	
CCN(CC)c1ccc(CNCCN2CCC(C)CC2)cc1	315741504	LTRGGCNOIUJAOO-UHFFFAOYSA-N	303.494	3.354	10	20	DGCD	
C[C@@H](NCCc1nnc(-c2ccccc2)o1)c1ccccc1O	183625191	PXMZBRHKBCHNCK-CYBMUJFWSA-N	309.369	3.336	10	20	DGCD	
C[C@H](NC[C@H]1COc2ccccc2O1)c1ccc(N(C)C)cc1	319751318	UPTCBLVBCWTYEY-YOEHRIQHSA-N	312.413	3.243	10	20	DGCD	
C[C@H]1CCc2c(sc(NC(=O)CC(C)(C)C(=O)O)c2C#N)C1	316143244	VHAJSPDMBQOFJV-VIFPVBQESA-N	320.414	3.184	10	20	DGCD	
CC[C@H](CO)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	124099817	FAQKLIIONLQWFH-CQSZACIVSA-N	320.820	3.248	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCc1ccc2[nH]ccc2c1	181301547	DAJUSQQHELEEAU-UHFFFAOYSA-N	308.381	3.465	10	20	DGCD	
C[C@@H](NC[C@@H]1CSCCS1)c1ccc(F)c(F)c1O	187752761	XCRRPUDTBBABCZ-RKDXNWHRSA-N	305.415	3.170	10	20	DGCD	
CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)C1(C)C	185791579	UVJNNKZMMMWQJU-CABCVRRESA-N	321.417	3.154	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCN2CCC(C)CC2)c1	192936810	PKIWZWBOBZBLJD-OAHLLOKOSA-N	306.450	3.173	10	20	DGCD	
O=C(Nc1ccncn1)N(Cc1ccco1)Cc1ccccc1O	194120133	HIPDYJWNFGYQJT-UHFFFAOYSA-N	324.340	3.010	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccoc1Cl	192435565	GWIIGFITAMVGAC-UHFFFAOYSA-N	305.761	3.447	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccc(N)cc1	382663016	JGJZGOUOXQMWJW-KRWDZBQOSA-N	309.457	3.365	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2CC[C@H](F)C2)n(C)c2ccccc12	346291972	AALXANBOSVRYPM-QWHCGFSZSA-N	303.381	3.177	10	20	DGCD	
COc1cccc([C@H](CNCc2ccc3c(c2)CCO3)OC)c1	527739698	SPJLKWXKIXLSII-IBGZPJMESA-N	313.397	3.107	10	20	DGCD	
Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1	278916124	JYXHWADYQHVJAZ-DZGCQCFKSA-N	311.381	3.424	10	20	DGCD	
C[C@@H](NC1CCN(C2CCC2)CC1)c1ccc(F)c(F)c1O	276854492	BKAFASQAGRGBFN-LLVKDONJSA-N	310.388	3.338	10	20	DGCD	
C[C@H](CO)CCCN[C@H](C)c1cc(Br)ccc1O	273545446	ZGSZOZNNZUTZMU-WDEREUQCSA-N	316.239	3.214	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1O	286080780	LNOVCNOFXXNVIF-GDBMZVCRSA-N	315.392	3.246	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C)[C@@H](O)c2ccccc2)c(O)c1	288557531	MAMYWGZFIRJZCJ-IFXJQAMLSA-N	315.413	3.393	10	20	DGCD	
CCOc1cccc(CNc2ccc(OC(F)F)nc2)c1O	801739671	RJOQETSXWUTAJW-UHFFFAOYSA-N	310.300	3.399	10	20	DGCD	
Cc1c(CNC(=O)c2cccc(N(C)C)c2)n(C)c2ccccc12	471232523	ZBZOXFOMEDHWAV-UHFFFAOYSA-N	321.424	3.483	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(C)c(C)c1O)C(C)C	296538092	QWFSSASGDMZKRG-HOCLYGCPSA-N	306.450	3.163	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNC[C@H](O)C2CC2)cc1	296140452	VDSVMZVOBCEDAG-SFHVURJKSA-N	316.470	3.245	10	20	DGCD	
CC[C@]1(CNCc2cc(F)ccc2O)OCCc2ccccc21	811509936	MQDYSFMITJQNOG-LJQANCHMSA-N	315.388	3.499	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C(C)C)C2(CO)CCC2)cc1	815255208	SEZGJXOGBJFCCE-GOSISDBHSA-N	304.478	3.420	10	20	DGCD	
Cc1cccc(CN2CCCN3c4ccccc4C[C@@H]3C2)c1O	811513588	XLCMVFWGANEPAV-GOSISDBHSA-N	308.425	3.338	10	20	DGCD	
Cc1ccc(C[C@@H](CO)NCc2cc(Cl)c(F)cc2O)cc1	816588259	JOPNYNMUZNVYRO-AWEZNQCLSA-N	323.795	3.186	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccsn1	822818492	FASUCNXXWRIXLC-UHFFFAOYSA-N	301.415	3.063	10	20	DGCD	
CCOc1cccc(CN[C@H](C)COc2ccccc2)c1O	728782305	JEQAXQSGOQLLAZ-CQSZACIVSA-N	301.386	3.348	10	20	DGCD	
CCC/C=C/C(=O)NC1CCN(c2ccc(OC)cc2)CC1	729359932	MPDIGDGZFLQKGE-AATRIKPKSA-N	302.418	3.137	10	20	DGCD	
Cc1ccc(C(=O)OCc2ccc(OC(F)F)cc2)c(O)c1O	727004848	WLAFBJSRXMXMTN-UHFFFAOYSA-N	324.279	3.365	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C)[C@](C)(C(=O)O)C2)cc1F	901542142	GZLPCOOBOCDYLK-FZKQIMNGSA-N	322.424	3.215	10	20	DGCD	
Cc1noc(C)c1C(C)(C)C(=O)N[C@H](C)c1ccccc1O	827946575	MRJZSFZFEUZZLH-SNVBAGLBSA-N	302.374	3.152	10	20	DGCD	
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(O)cs1	731870361	WXJJGUGZNOXJEF-UHFFFAOYSA-N	316.382	3.363	10	20	DGCD	
COC[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	733705398	WPBFKVDYNADISI-GFCCVEGCSA-N	305.349	3.425	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(CC)cnc1O	830147166	POHNEVUPSBUUIZ-UHFFFAOYSA-N	314.385	3.108	10	20	DGCD	
CC(C)[C@H](C)NC(=O)CN(Cc1ccccc1O)C1CCCC1	731848080	QTSWZTRWMVFWDG-HNNXBMFYSA-N	318.461	3.298	10	20	DGCD	
CC[C@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	738568022	HOJULRQHMFHONX-NSHDSACASA-N	308.333	3.417	10	20	DGCD	
CN(CCOc1ccccc1)Cc1c(O)ccc2ccncc12	834915677	RPNXYWWHUAGFQP-UHFFFAOYSA-N	308.381	3.451	10	20	DGCD	
NCc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1	841303699	FFVGVZGPJYRSPN-UHFFFAOYSA-N	324.428	3.067	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](N3CC=CC3)C2)cc1C(C)C	742163820	WLEVWAFLNOYJRK-KRWDZBQOSA-N	300.446	3.270	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CC[C@H](C)O1	743293416	YSNWNTFJLZCCAH-YJBOKZPZSA-N	318.461	3.449	10	20	DGCD	
CC(C)N(CCOC[C@@H]1CCCO1)Cc1ccc(N(C)C)cc1	741389291	ZDSLFQKQNOPYDU-IBGZPJMESA-N	320.477	3.159	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CCNC2)cc1	841045395	TVCINUKAZMBEEW-LJQANCHMSA-N	309.457	3.165	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccccc2Cl)cc1	841044156	UFBDXHVOMOCQFD-KRWDZBQOSA-N	303.837	3.196	10	20	DGCD	
Cc1ccc(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)o1	915201744	UKTAJPOBUWJHSR-UHFFFAOYSA-N	323.396	3.363	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](c3cccnc3)C2)c1O	843419993	XWAFZJRQUHGMLQ-ZDUSSCGKSA-N	318.804	3.439	10	20	DGCD	
C[C@H](CNCc1ccc(N(C)Cc2cccs2)cc1)C(=O)O	848640976	XGMHRPUNRKIEFW-CYBMUJFWSA-N	318.442	3.195	10	20	DGCD	
CCN(Cc1nc(COC(C)C)no1)c1ccc(OC)cc1	929903382	BZYFVQXEEBYQIU-UHFFFAOYSA-N	305.378	3.030	10	20	DGCD	
C[C@@H](NCC[C@@H](C)N1CCCCC1)c1cc([N+](=O)[O-])ccc1O	757659433	XUINIBASHUJOIU-ZIAGYGMSSA-N	321.421	3.216	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)Cc2cc(C)cc(OC)c2O)C1(C)C	754740983	KDUIFSRJUWFRKM-HOTGVXAUSA-N	307.434	3.345	10	20	DGCD	
C[C@H]1CCC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	850405861	IEFZHNOMWGEMSW-RDJZCZTQSA-N	302.462	3.316	10	20	DGCD	
C[C@H]1C[C@@H](NCCOCC(F)(F)F)c2c(O)ccc(F)c21	756467947	AXBNFMOACGVLGA-WCBMZHEXSA-N	307.287	3.248	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCc1nc2c(s1)CCC2	922471589	WVFRTKHEBBGODO-UHFFFAOYSA-N	312.797	3.420	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)c(O)c1O	751534360	FLTFJFCYJGWNHR-UHFFFAOYSA-N	301.342	3.446	10	20	DGCD	
CC1CCN(c2ccc(CNc3cnc(F)cn3)cc2)CC1	853300226	GDXLRZFKTDNCNS-UHFFFAOYSA-N	300.381	3.464	10	20	DGCD	
C[C@H](N[C@@H]1CCSC1)c1cc(Br)c(F)cc1O	756734145	UXXAKLGRPUTGIZ-JGVFFNPUSA-N	320.227	3.450	10	20	DGCD	
COc1ccc(N2CCC(NCCc3ccoc3)CC2)cc1	850377020	SSRKMVJDYSLSDH-UHFFFAOYSA-N	300.402	3.089	10	20	DGCD	
Cc1cc(Br)cc(CN[C@]2(C)CCO[C@@H]2C)c1O	753577380	USAOUTTUXMMXGA-QMTHXVAHSA-N	314.223	3.120	10	20	DGCD	
CCOc1ccc(CNCCC2CCC(OC)CC2)c(O)c1	757983596	AMWYLLXQAJDSCI-UHFFFAOYSA-N	307.434	3.476	10	20	DGCD	
C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(F)cc(F)c1O	768237337	JOXGOCVYOZOOOZ-LLAGZRPASA-N	309.356	3.279	10	20	DGCD	
COCc1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1	765656008	FIBDSFNPSATWGZ-UHFFFAOYSA-N	312.413	3.298	10	20	DGCD	
CCC(=O)NCC1(NCc2ccc(OC)c(C)c2)CCCCC1	1115370300	MRCMWJMCIVDSAY-UHFFFAOYSA-N	318.461	3.322	10	20	DGCD	
CC1(NCc2ccc(N3CCC(O)CC3)cc2)CCCCC1	876897624	FTIQAGBWNJSVOW-UHFFFAOYSA-N	302.462	3.460	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1ccoc1)c1ccc(N(C)C)cc1	773615333	WANXSHPIMSCSPY-CYBMUJFWSA-N	301.390	3.248	10	20	DGCD	
CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(F)c1O	778523597	BMHANCUCZUSBFF-OAHLLOKOSA-N	306.381	3.075	10	20	DGCD	
CC(C)c1ncncc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773008276	MWHKCKKKNBPZEN-ZDUSSCGKSA-N	312.417	3.157	10	20	DGCD	
OC1CCN(c2ccc(CNc3ccc4nc[nH]c4c3)cc2)CC1	883114498	XUCCLZQHPBYPPC-UHFFFAOYSA-N	322.412	3.136	10	20	DGCD	
CNC(=O)N(C)c1ccc(NCc2ccc(N(C)C)cc2)cc1	883314149	XEWKENQWMDFOSV-UHFFFAOYSA-N	312.417	3.140	10	20	DGCD	
COc1cc(C)cc(CNc2ccccc2C[S@](C)=O)c1O	894469806	QGTQEUNVCGXGKZ-QFIPXVFZSA-N	319.426	3.200	10	20	DGCD	
O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(O)c1O	790571163	CTOLZLRQIZVSKF-UHFFFAOYSA-N	312.369	3.340	10	20	DGCD	
COc1ccc(CNCCc2ccc(F)cc2C)c(O)c1OC	893162267	JJJSHIHKQMGNQM-UHFFFAOYSA-N	319.376	3.189	10	20	DGCD	
Cc1ccc(CN(C[C@@H](C)O)c2ccc3c(c2)OCCO3)s1	799132767	LXERSHLSINRRSJ-GFCCVEGCSA-N	319.426	3.215	10	20	DGCD	
CC[C@H](NC1CCN(CC(F)F)CC1)c1ccc(F)cc1O	796737124	KIMMMFRSRSBPPT-AWEZNQCLSA-N	316.367	3.302	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCc1cn2ccsc2n1	790959478	XHGZQONVYUNUOK-UHFFFAOYSA-N	311.769	3.184	10	20	DGCD	
CN(C)C(=O)c1cccc(NCc2c(O)ccc(Cl)c2F)c1	790976278	ITACKRYXNOVYKH-UHFFFAOYSA-N	322.767	3.499	10	20	DGCD	
CC[C@@H](C)n1ncc(NC(=O)NCc2ccccc2O)c1C	792477467	AXBLFWIZLJYSOI-LLVKDONJSA-N	302.378	3.190	10	20	DGCD	
CCOC1(C(=O)NCc2ccc(N(CC)CC)cc2)CCCC1	790279509	QXBXEUVJJWKJPO-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
Cc1cccc(CN2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1O	793239173	DDFITOOVZJNTST-BGYRXZFFSA-N	322.452	3.264	10	20	DGCD	
CC[C@@]1(C)C[C@H]1C(=O)NCCCNCc1ccc(OC)c(C)c1	1169766461	RHPSRGGBUICJCT-LPHOPBHVSA-N	318.461	3.036	10	20	DGCD	
CC/C=C(/C)C(=O)N1CCN(c2ccc(OCC)cc2)CC1	1319603546	JYMLBIGDTHUXLZ-UUASQNMZSA-N	302.418	3.090	10	20	DGCD	
CC[C@@H](C)C[C@H](CO)NCc1ccc(Br)cc1O	1327841617	OVQNUQKYIZEDDE-ZWNOBZJWSA-N	316.239	3.041	10	20	DGCD	
Cc1cc(-c2nnc(Cn3cccn3)o2)c(C)n1-c1ccccc1	1322283039	HUEFLOFRBWRUEQ-UHFFFAOYSA-N	319.368	3.389	10	20	DGCD	
CC[C@H](NC[C@H](C)CNC)c1cc(Br)ccc1O	1348853220	SLEDVYVNJFFRNM-MFKMUULPSA-N	315.255	3.051	10	20	DGCD	
CN(C)c1ccc(OCCc2ccccc2F)cc1C(=O)O	1598328514	QATVRVVIPQOQLW-UHFFFAOYSA-N	303.333	3.211	10	20	DGCD	
Cc1cc(O)c(CNc2cccc(-c3ncn(C)n3)c2)cc1C	153515120	LNAUSJDVNRODQU-UHFFFAOYSA-N	308.385	3.417	10	20	DGCD	
COc1cccc(CNC(=O)c2cccc3ccc(C)nc23)c1O	156157050	GMUICCJGJCITIH-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
Oc1ccc(Br)cc1CNCCC[C@H]1CCOC1	402337557	VMTGOXHSEYJBNJ-NSHDSACASA-N	314.223	3.061	10	20	DGCD	
CCOc1cccc(CN[C@H](C)c2nc(C(C)(C)C)no2)c1O	174662931	WILKPEFQJKEELE-LLVKDONJSA-N	319.405	3.322	10	20	DGCD	
CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc2c(c1)OCO2	179572867	RSZNFOYTYQNEGS-XVNBXDOJSA-N	316.744	3.140	10	20	DGCD	
C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1	31731396	RRSKXKFLGWKHER-RHSMWYFYSA-N	303.450	3.473	10	20	DGCD	
CC(C)NC(=O)c1ccc(NCc2cc(F)ccc2O)cc1	317879908	YUPMRDXVJLHPQX-UHFFFAOYSA-N	302.349	3.282	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](c2ccccc2)C1	180722293	IEFPCAXRDKFKFM-MNDMWVCDSA-N	309.365	3.127	10	20	DGCD	
NCc1ccc2c(c1)CCCN2C[C@@H]1CCOc2ccccc21	322470717	KVPLEDKWFMMJMX-KRWDZBQOSA-N	308.425	3.464	10	20	DGCD	
CC[C@@H]1CO[C@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1O	48915880	PHOSUMITCAMHFP-QMTHXVAHSA-N	311.809	3.248	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@H](C)c2cc(F)ccc2O)cc1	191585661	HERLZNQUANFHEM-CJNGLKHVSA-N	303.377	3.094	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC(F)(F)C[C@H]2C)c1O	528769773	SRDXWEYTLKDFAW-SECBINFHSA-N	301.308	3.354	10	20	DGCD	
C[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccccc1O	272872663	PALOAFCBKDSXPS-ZDUSSCGKSA-N	310.397	3.135	10	20	DGCD	
CC(C)=CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	360187214	KMTYLBLYUBRPGZ-UHFFFAOYSA-N	324.371	3.339	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccn(C)c1CC	289859908	QZCJGIBEMUZRBM-UHFFFAOYSA-N	300.402	3.346	10	20	DGCD	
COc1cccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1O	290617034	XALJGZJMEUELAM-AWEZNQCLSA-N	301.390	3.078	10	20	DGCD	
OC[C@H]1Cc2ccccc2N(Cc2cc(Cl)c(F)cc2O)C1	816617017	MALGINHXYWGYKQ-NSHDSACASA-N	321.779	3.356	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H](O)CCC(C)C)CC2)cc1	819001767	DURKMRJQDLUCEA-GOSISDBHSA-N	320.477	3.051	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@H](N)C1)c1cccc(C(F)(F)F)c1O	817970390	UKPWNVZTZZOBQW-DCAQKATOSA-N	302.340	3.332	10	20	DGCD	
CC[C@@H](NCc1cc2ccccc2n(C)c1=O)c1ccccc1O	813881033	KSQLMBURHLVHIG-QGZVFWFLSA-N	322.408	3.485	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CN(C)c1ccccc1	727168020	HFNSBPKIYKFLTP-UHFFFAOYSA-N	312.413	3.267	10	20	DGCD	
COc1ccc(OC)c([C@@H](C)NCCc2ccc(N)cc2)c1	817956338	WQXUPAPQDDTUCX-CYBMUJFWSA-N	300.402	3.179	10	20	DGCD	
COc1ccc(OC)c(NC(=S)NNc2cccc(C)c2)c1	726435316	OXRLFJYAFCSTNZ-UHFFFAOYSA-N	317.414	3.326	10	20	DGCD	
C[C@@H](NCc1cnn(CC2CCC2)c1)c1ccc(F)cc1O	903240552	UEOYFGODNYMADU-GFCCVEGCSA-N	303.381	3.379	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](C3OCCO3)C2)cc1C(C)C	905695331	NQHOPWUUROQYFM-CQSZACIVSA-N	305.418	3.019	10	20	DGCD	
Cc1cc(C(=O)O[C@H]2CCCCC2=O)c(C)n1-c1ccccn1	914905182	FSSBUOHXBFDHLX-INIZCTEOSA-N	312.369	3.158	10	20	DGCD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(O)cc2O)o1	910952244	UHLVCKFLFUGNMT-IAQYHMDHSA-N	315.369	3.063	10	20	DGCD	
CC[C@@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)O1	756916351	LWNYURVRYYSAPX-QZTJIDSGSA-N	318.461	3.447	10	20	DGCD	
COc1cc(CNc2nncn2C2CC2)c(O)c(C(C)(C)C)c1	922659027	JHNCKTCIUMMHCJ-UHFFFAOYSA-N	316.405	3.237	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)c2c(C)noc2C)c1O	750057441	MZODQETUKOZZEH-UHFFFAOYSA-N	308.765	3.489	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2nc3c(s2)CCC3)c1	926932337	UWRHBQAOOWUMLO-NSHDSACASA-N	318.442	3.239	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCC2CCC(F)(F)CC2)c1	858427490	IMBFOCLDLMVPRU-UHFFFAOYSA-N	312.360	3.325	10	20	DGCD	
COCC1(NCc2cc(OC)cc(C(C)(C)C)c2O)CCC1	850289299	DZGOZVSOWYZZHY-UHFFFAOYSA-N	307.434	3.357	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(N2CCCCC2)cc1)C(C)C	768927657	UNSPSADIWVCZKL-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
C[C@@H](NC(=O)CCc1nccs1)c1ccc(N(C)C)cc1	773022568	VSXNFOGTGKWLFQ-GFCCVEGCSA-N	303.431	3.019	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H]3[C@H](CCCN3C)C2)cc1	770350972	HJPYXURMEHTWAI-QUCCMNQESA-N	315.505	3.449	10	20	DGCD	
C[C@H]1CN(CCCCN[C@@H](C)c2c(O)cccc2F)C[C@@H](C)O1	886548269	ZTWKNQGPTHKFPL-ZNMIVQPWSA-N	324.440	3.071	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](Cc2ccccc2)OC)c1O	894874729	VYUBDNPOLJXFKY-KRWDZBQOSA-N	315.413	3.057	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNc2cnn(C3CCC3)c2)c1O	897876220	OHKWMGTULYWTIB-UHFFFAOYSA-N	322.752	3.487	10	20	DGCD	
COc1cc(C)cc(CN2CCC=C(c3ccncc3)C2)c1O	795737182	ZRVNIJNKEKOGDL-UHFFFAOYSA-N	310.397	3.394	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2coc3ccccc23)cc1	794618723	MOCUVXPBNAUGDU-UHFFFAOYSA-N	308.381	3.358	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCCN3CCC[C@H]3C2)c1	1318223419	WPJZBRFRHXOECF-INIZCTEOSA-N	318.461	3.065	10	20	DGCD	
COc1ccc(C2(C(=O)NCc3ccc(N)cc3)CCC2)cc1	1343567978	VKJAQLUTJXVYHR-UHFFFAOYSA-N	310.397	3.016	10	20	DGCD	
CCCN(Cc1cc(Cl)c(F)cc1O)C1CCNCC1	1577526878	ICOREBCCBHVXLW-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
CCc1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)s1	150280509	JZLDLBHXJXGBGZ-UHFFFAOYSA-N	315.442	3.236	10	20	DGCD	
O=C(CC1CCSCC1)NCc1c(O)ccc2c1CCCC2	161215646	BWSAKVCJPHASLY-UHFFFAOYSA-N	319.470	3.421	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H](C)c2c(F)cccc2F)c1	158446529	MQMISDXERNCTEO-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1	4541474	QRYFCIJCYOPOJM-UHFFFAOYSA-N	322.364	3.462	10	20	DGCD	
CCc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	54285095	AZKKZUBVFGIKDG-UHFFFAOYSA-N	324.424	3.016	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H](Cc3ccccc3)C1)OCO2	172916064	AIGXYBYJOLKLHS-HNNXBMFYSA-N	311.381	3.186	10	20	DGCD	
COc1cc(C(=O)N(C)Cc2ccccc2O)ccc1Cl	129603775	BPNCHONKUPKGLW-UHFFFAOYSA-N	305.761	3.326	10	20	DGCD	
C[C@@H](NC[C@H](O)Cc1ccccc1)c1cc(Cl)ccc1O	185370034	LHLKRFOSIZHFOS-IUODEOHRSA-N	305.805	3.300	10	20	DGCD	
C[C@H](NC[C@@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2	184997634	VMYULVXJILNGIL-GJZGRUSLSA-N	314.473	3.406	10	20	DGCD	
CC(=O)Nc1cccc(CN[C@@H](C)c2cc(F)ccc2O)c1	185021294	CAQXYSCMJIGEGA-NSHDSACASA-N	302.349	3.341	10	20	DGCD	
CC1CCC2(CC1)OC[C@H](CN[C@H](C)c1ccccc1O)O2	183671831	VNJJPCCTWGPJGR-DGSCNEQVSA-N	305.418	3.365	10	20	DGCD	
CCOC(=O)C1CCC(NCc2cccc(OCC)c2O)CC1	321351828	YCMSQARBKSTVIN-UHFFFAOYSA-N	321.417	3.002	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)OCC(F)(F)F	191821064	BRFRHIJTRLLUGJ-UHFFFAOYSA-N	302.296	3.075	10	20	DGCD	
CCO[C@H](CNCc1cc([N+](=O)[O-])ccc1O)c1ccccc1	194461570	QKALXKOHOYHOOB-QGZVFWFLSA-N	316.357	3.168	10	20	DGCD	
C[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	47036093	JCXYGTZWFHFQAT-ZBFHGGJFSA-N	303.450	3.473	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1nc(C(C)(C)C)no1	237443631	HSBHMBMBRYOOIJ-LLVKDONJSA-N	301.390	3.153	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1Cc2ccccc2O1	248084594	DKBMBNLLUPQSFQ-LJQANCHMSA-N	324.424	3.105	10	20	DGCD	
Cc1c(CNC(=O)N[C@H]2CC[C@@H](F)C2)n(C)c2ccccc12	346291970	AALXANBOSVRYPM-OLZOCXBDSA-N	303.381	3.177	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC2(c3ccccc3)CC2)cc1	263827342	SZGMPYQXCODHDU-UHFFFAOYSA-N	309.413	3.241	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1F	273417937	RFQQTNWRSMRKAA-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC[S@@]1=O	277334956	CQUXPTYIWGNZKZ-HOGDKLEQSA-N	322.257	3.042	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@]2(C)CCCS2)c1	273610413	VQWDXPTZMNEXCJ-MEDUHNTESA-N	309.431	3.115	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(F)n1	272831951	FQZRALJLLUYQNI-UHFFFAOYSA-N	315.392	3.338	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccccc1O	274984507	ZSLBBEXZTHPNQX-FMKPAKJESA-N	304.434	3.080	10	20	DGCD	
COC(=O)c1csc([C@@H](C)NCc2ccc(N(C)C)cc2)c1	285488004	BXLZEHOCKWGAIW-GFCCVEGCSA-N	318.442	3.452	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(F)cn1	282510724	OLIBJCMIWSOQPT-UHFFFAOYSA-N	302.349	3.369	10	20	DGCD	
CC[C@H](NC[C@H](COC)OC)c1cc(Cl)cc(Cl)c1O	287885181	YQSCOFXIGFNFNR-MFKMUULPSA-N	322.232	3.401	10	20	DGCD	
CCCN(Cc1cnc([C@@H](C)O)s1)c1ccc(CN)cc1	289799728	SGWIMTZCHFHONK-GFCCVEGCSA-N	305.447	3.072	10	20	DGCD	
CO[C@@](C)(C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	291646342	FBCKMYDHVYXUFB-LJQANCHMSA-N	316.445	3.059	10	20	DGCD	
C[C@@H](NC[C@H](N)C1CC1)c1ccc(N2CCCCC2)c(F)c1	817965611	SCYGDSOZGTYXLM-DYVFJYSZSA-N	305.441	3.204	10	20	DGCD	
Cc1cc([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)oc1C	817941877	LHYQUQDMFGWJEB-GUYCJALGSA-N	301.434	3.313	10	20	DGCD	
CCC(CC)(CC(=O)OC)NCc1cc(Cl)c(F)cc1O	816554973	PEKHVAWHOXGAHL-UHFFFAOYSA-N	317.788	3.396	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[C@@H](OC)C1	814640630	MRSODCQPKXBDNC-SJLPKXTDSA-N	318.461	3.306	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](N3CCCC3)[C@H]2C)cc1	815118168	LALUBYPZQTYZKZ-VQIMIIECSA-N	301.478	3.201	10	20	DGCD	
C[C@H](NCc1cnn(CC(F)F)c1)c1ccc(N(C)C)cc1	814296471	BQAVUZOPUMBZJR-LBPRGKRZSA-N	308.376	3.065	10	20	DGCD	
COc1ccc(N2CCC(Nc3ccc(Cl)nn3)CC2)cc1	819915467	GZFZHKQXTKZVQE-UHFFFAOYSA-N	318.808	3.220	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@H](C)[S@@]1=O	825886829	QQVPFVHTYVVBCR-SCLGINMFSA-N	315.866	3.085	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc(O)c(F)c1)c1ccc(N(C)C)cc1	828861887	RGPTYEVCQOGXGN-LBPRGKRZSA-N	316.376	3.017	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1ccc(OCC)cc1O	827750527	IPDSLTVUSLSLKQ-FUHWJXTLSA-N	321.417	3.002	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1O	827923775	ZUTHCGCJTFVUAX-GFCCVEGCSA-N	313.353	3.045	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C\c2cnccc2C)cc1F	492532734	MBJVMBVNJHIBNW-DAXSKMNVSA-N	300.333	3.214	10	20	DGCD	
C[S@](=O)[C@H]1CCC[C@H](NCc2ccc3ccccc3c2O)C1	826910314	FAQMZXHRGSWXDX-WCJKSRRJSA-N	317.454	3.325	10	20	DGCD	
CCn1c(COC(=O)c2cc(O)cs2)nc2c(F)cccc21	732352985	JOWVKLNJNZAJRU-UHFFFAOYSA-N	320.345	3.319	10	20	DGCD	
COc1ccc(O)c(CNCc2occc2Br)c1	735320899	CDPXPHWBXNMDKK-UHFFFAOYSA-N	312.163	3.046	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(C2CC2)nc1	838781860	UCCUGMUSQJWFQV-UHFFFAOYSA-N	310.445	3.442	10	20	DGCD	
CC(C)CN(Cc1cnn(C)c1)Cc1cc(Cl)ccc1O	835076751	LHHZNCDRLIGDGB-UHFFFAOYSA-N	307.825	3.437	10	20	DGCD	
O=C(Nc1nc(Cc2ccccc2)ns1)c1cc(O)cs1	732290129	PVZIOAOPEHGGAZ-UHFFFAOYSA-N	317.395	3.148	10	20	DGCD	
CO[C@H]1c2ccccc2C[C@H]1NCc1cccc(Cl)c1O	840956046	IBGNGHNASOMPTH-WBVHZDCISA-N	303.789	3.448	10	20	DGCD	
CCN(CC(=O)NC1CCC(C)CC1)c1ccc(OC)cc1	746108746	AFJAUHPKSQEPTC-UHFFFAOYSA-N	304.434	3.216	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CO1	842929687	RATPUXZZPKSVER-MGPQQGTHSA-N	324.852	3.005	10	20	DGCD	
Nc1ccc(NC(=O)N2CCCN(c3ccccc3)CC2)cc1	841301356	MCTRCSCACDHQHI-UHFFFAOYSA-N	310.401	3.013	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](CCO)C2CCCCC2)c1O	846143947	BHUMHSUQSKNHBI-CZUORRHYSA-N	307.434	3.383	10	20	DGCD	
CCC(CC)n1nccc1-c1nc(Cc2ccc(N)cc2)no1	843159973	TWVOXUKLXIJENV-UHFFFAOYSA-N	311.389	3.467	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cccc(N2CCC2=O)c1	840941400	VZNCWQRNYRYTGG-UHFFFAOYSA-N	309.413	3.410	10	20	DGCD	
COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2F)cc1OC	747528401	KWENRLTZMHKFHU-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](CCN)C2)cc1F	843112648	KHNWYVMKXDSBNA-OAHLLOKOSA-N	307.457	3.233	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=S)NC1(C)CC1	840868036	AZUBPNVPCPPVIT-CYBMUJFWSA-N	305.491	3.009	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CCCO2)cc1	844304247	IITAZYNGTXBTSD-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2nnc(C3CC3)s2)cc1F	858179830	VBULXAIWDDZNMZ-UHFFFAOYSA-N	324.400	3.050	10	20	DGCD	
C[C@]1(Cc2ccccc2)CCCN1C(=O)Cc1ccc(N)cc1	852899289	GLOJZGFELNCTBK-HXUWFJFHSA-N	308.425	3.435	10	20	DGCD	
CC(C)[C@H](CN[C@H](C)c1cc(F)cc(F)c1O)N1CCCC1	756398188	CUJBYOIOEBKIDN-WBMJQRKESA-N	312.404	3.441	10	20	DGCD	
C[C@H](C[C@@H](O)c1ccco1)N[C@H](C)c1cc(F)cc(F)c1O	756677178	PZVGMFOMHLEBCX-GPCCPHFNSA-N	311.328	3.426	10	20	DGCD	
CC(C)C[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	752214826	ZCQFAXLUVCEBOC-AWEZNQCLSA-N	303.450	3.303	10	20	DGCD	
CC(C)CN1CCC(NCc2ccc3c(c2)CCCO3)CC1	921519875	QDBJJJWWTQTVOC-UHFFFAOYSA-N	302.462	3.222	10	20	DGCD	
CN(Cc1cnn(Cc2ccccc2)c1)c1ccc2c(c1)OCO2	757099177	JQEZXVMSICUSOO-UHFFFAOYSA-N	321.380	3.297	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)cn1	756380246	FQGRODMLDPITKY-GWCFXTLKSA-N	302.349	3.273	10	20	DGCD	
CC(C)(C)OC1CC(CCNC(=O)NCc2ccccc2O)C1	763476051	LCIOMWQZHQGMRJ-UHFFFAOYSA-N	320.433	3.175	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@@]2(N(C)C)CCSC2)cc1	766438411	LEFNUDOJFFBEFW-YJBOKZPZSA-N	321.534	3.231	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1	860240516	AXRQEXINMWODND-ZHDFWETCSA-N	323.392	3.164	10	20	DGCD	
CCN(CC)[C@@H](CNCc1c(C)cccc1O)c1ccco1	876988284	BEDHUAYKUGCFHW-INIZCTEOSA-N	302.418	3.466	10	20	DGCD	
C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1ccc(F)cc1O	1116589421	WMBUTUINXSJBGK-LLVKDONJSA-N	302.349	3.122	10	20	DGCD	
OC1CCN(c2ccc(CNCC3=CCCCC3)cc2)CC1	877556047	JTIFJHCWCBVJEY-UHFFFAOYSA-N	300.446	3.238	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)C2CCCCC2)c1O	775022886	HMOFQOFRJGGCPY-LLVKDONJSA-N	308.378	3.367	10	20	DGCD	
c1cc2c(cc1CNC[C@H]1COC3(CCCCCC3)O1)CCO2	776959996	XBGANUZIPJYYJU-KRWDZBQOSA-N	317.429	3.177	10	20	DGCD	
CCCCCCN(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773014884	MNPOLYWJPCGECR-MRXNPFEDSA-N	319.493	3.442	10	20	DGCD	
COC(=O)COc1ccc(N(C)C/C=C\c2ccccc2)cc1	784561823	TWTOXLLVEXHMOK-TWGQIWQCSA-N	311.381	3.388	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cscc2C)c1	787340580	HLWRJPBSEOBGSH-LLVKDONJSA-N	320.414	3.331	10	20	DGCD	
CN(C)c1ccc([C@@H](CNCc2cccs2)N(C)C)cc1	898450381	BGPYKPGJOQPVIK-QGZVFWFLSA-N	303.475	3.207	10	20	DGCD	
CC[C@@H](C)n1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C	791582963	KOLJSAPDPSUTDK-LXSSAFMLSA-N	315.373	3.226	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@@H]1C[C@@H](C)c3c(C)ccc(O)c31)C2	1325341357	VHKKEMWUOWGOBU-ISTRZQFTSA-N	323.440	3.494	10	20	DGCD	
CC[C@H](NCC[C@@H](C)NC)c1ccc(C(F)(F)F)cc1O	1326037083	VRKHMTMTANBJCL-MFKMUULPSA-N	304.356	3.450	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cnc(N(C)C)s1	1254375433	RMDURTNBKLNMNY-UHFFFAOYSA-N	303.431	3.171	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C)cs1	1331106637	QDXKJSNJEOHQMQ-UHFFFAOYSA-N	303.431	3.180	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C[C@@H]3C=CCC3)CC2)cc1	1338308833	FBISWPRCYUSAQI-OAHLLOKOSA-N	314.429	3.137	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccccc1-c1ccnn1C	1608038888	HRQPYYJVIYAYBD-UHFFFAOYSA-N	312.325	3.266	10	20	DGCD	
Cc1ccc(CN(CC(=O)O)Cc2cc(Cl)ccc2O)o1	1600410953	SLZKPUKBYXZOBO-UHFFFAOYSA-N	309.749	3.034	10	20	DGCD	
CCC[C@](C)(NCc1ccc(N2CCCCC2)cc1)C(=O)O	1595560080	SGDONYJEOLIWMP-SFHVURJKSA-N	304.434	3.410	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cc(C(=O)O)co1	1593297888	BPMNDRCSUKLKGM-CYBMUJFWSA-N	314.385	3.429	10	20	DGCD	
CCN1CCCc2cc(CNCc3occc3C(=O)O)ccc21	1776875646	NHYFGFSKHNKQTN-UHFFFAOYSA-N	314.385	3.040	10	20	DGCD	
C[C@@]1(C(=O)O)CCCC[C@H]1NCc1ccc2c(c1)CCCO2	1776503353	FPPDFAJDTVEFSJ-SJLPKXTDSA-N	303.402	3.135	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCOC3(CCC3)C2)c1O	154364745	XBRAJYRPNDKULK-UHFFFAOYSA-N	309.793	3.003	10	20	DGCD	
CCN(Cc1ccc(OC)cc1)Cc1cccc(OC)c1O	154672175	XWUAGCKGFFQTGE-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
Cc1nc(C)c(Br)c(N(C)Cc2ccccc2O)n1	853462235	NEDVTNHLWMFXTG-UHFFFAOYSA-N	322.206	3.198	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cccnc2Cl)c1	103503260	HJTUVLWGBURBSS-VIFPVBQESA-N	321.764	3.332	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCc2c(Cl)cccc21	119104094	JOSKQRXHGPVSEK-SNAWJCMRSA-N	302.736	3.477	10	20	DGCD	
CCC(CC)CS(=O)(=O)NCc1ccc(N2CCCC2)cc1	172088777	WYLMNNGHNFLQND-UHFFFAOYSA-N	324.490	3.142	10	20	DGCD	
CC[C@H]1CO[C@H](CC)CN1Cc1cc(F)cc(C(C)=O)c1O	403837168	CAEWWYBDAOAVNB-LSDHHAIUSA-N	309.381	3.123	10	20	DGCD	
COC(=O)CCN(Cc1cc(C(C)(C)C)cc(O)c1O)C(C)C	112959529	JWVVQZAOYNLLIU-UHFFFAOYSA-N	323.433	3.169	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(Cl)c1	151873818	ITMCTLMUYZSYEQ-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@](C)(O)c2ccc(F)cc2)c(O)c1	186189986	OEWXSSDMQOSDGD-ACJLOTCBSA-N	303.377	3.398	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](c2ccco2)N2CCCC2)cc1	72670514	YFNYGFHKNJXXHC-GOSISDBHSA-N	313.445	3.272	10	20	DGCD	
C[C@H](NCCc1nn(C)c2ccccc12)c1cc(F)ccc1O	186478526	SGXYKLWAJXZIAW-LBPRGKRZSA-N	313.376	3.311	10	20	DGCD	
Cc1cnc(NCCCSc2nccs2)c([N+](=O)[O-])c1	78663137	OKUCHXYCGUIIQQ-UHFFFAOYSA-N	310.404	3.349	10	20	DGCD	
CN(Cc1cc(C(C)(C)C)cc(O)c1O)CC1(N(C)C)CCC1	189797637	FSHJUDUHTFCDNY-UHFFFAOYSA-N	320.477	3.311	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCc2ccccc21)c1cc(F)ccc1O	186166135	FLUYDYBYOUISHH-SGTLLEGYSA-N	301.361	3.016	10	20	DGCD	
COc1ccc(N(Cc2ccco2)CC(OC)OC)cc1F	136795072	DKYULRVICQWWJH-UHFFFAOYSA-N	309.337	3.053	10	20	DGCD	
COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(O)c1O	193015065	YUXFEZLWPPAHTE-CQSZACIVSA-N	313.353	3.084	10	20	DGCD	
Cc1csc(N2CCN(Cc3cc(Cl)ccc3O)CC2)n1	133846168	MWRORJXPQFTDQR-UHFFFAOYSA-N	323.849	3.133	10	20	DGCD	
COC[C@@H](C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	195698573	YRBFJYGWXHZMPQ-ZDUSSCGKSA-N	300.402	3.106	10	20	DGCD	
C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1ccc(N)cc1	237565988	SISMIKNDQSUXRA-HXPMCKFVSA-N	312.388	3.390	10	20	DGCD	
CC[C@@H](COC)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	266912415	ZVOMWRKYMCOQCI-INIZCTEOSA-N	321.465	3.098	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C12CCC(CC1)C2	356017520	WXPYYNUUJNOUCU-UHFFFAOYSA-N	300.402	3.058	10	20	DGCD	
CN(C)c1ccc(CNCc2nnc(C(C)(C)C)s2)cc1	268174030	HBRKOUOPXCJVRT-UHFFFAOYSA-N	304.463	3.191	10	20	DGCD	
CCOCc1cc(CN[C@H](COCC)C(C)C)ccc1OC	276680514	LMEYRWHIRYIQHW-QGZVFWFLSA-N	309.450	3.382	10	20	DGCD	
C[C@@H](N[C@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1	283376167	OJHGVBVBWSVBLX-WBMJQRKESA-N	324.465	3.207	10	20	DGCD	
C[C@H](O)CN(C)Cc1ccc(N(C)Cc2cccs2)cc1	295940445	GGNXFMNIPOCHKT-AWEZNQCLSA-N	304.459	3.197	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCOCC23CC3)cc1	801743702	SXKKVNOUPJLDMG-UHFFFAOYSA-N	310.397	3.099	10	20	DGCD	
COc1ccc(CNC(=O)Cc2coc3ccccc23)c(O)c1	803292444	PUNCYHJYGOIMPY-UHFFFAOYSA-N	311.337	3.006	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ncccc2F)cc1	819974982	XKVURZREVCNVBV-UHFFFAOYSA-N	315.392	3.339	10	20	DGCD	
COC[C@H]1CCCCN(Cc2cc(Cl)c(F)cc2O)C1	816571073	RHUWHJJJOSAXBK-NSHDSACASA-N	301.789	3.433	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@@H]2CCCc3ccccc32)cc1	817938531	MMOZDKDCAJXQLR-VQTJNVASSA-N	309.457	3.420	10	20	DGCD	
C[C@H]1C[C@H](C)N(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817950216	WMUUANKRCBFGQX-RYUDHWBXSA-N	315.442	3.187	10	20	DGCD	
CC1(C)CCCC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	819168620	SFSKMDADBDTLIQ-OAHLLOKOSA-N	316.401	3.125	10	20	DGCD	
COC[C@H](O)CNc1cc2oc3ccccc3c2cc1OC	819399765	XEAFGFFTXHKJOA-LLVKDONJSA-N	301.342	3.014	10	20	DGCD	
CN(CCOc1ccccc1F)Cc1ccc(N(C)C)cc1	726981098	NBABHWFOMVZWNW-UHFFFAOYSA-N	302.393	3.403	10	20	DGCD	
COc1ccc(N(Cc2nc(C3CC3)nn2C)CC(C)C)cc1	828048628	DFQLANBOWOJJMH-UHFFFAOYSA-N	314.433	3.364	10	20	DGCD	
Cc1cccc2c1O[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C2	828860846	IPDFAPYIGPLDIL-KSSFIOAISA-N	324.424	3.242	10	20	DGCD	
C[C@@H]1C(=O)CC[C@H](C(=O)N[C@H](C)c2ccccc2O)C1(C)C	827940486	DPGVMFGVVPHELE-YRGRVCCFSA-N	303.402	3.211	10	20	DGCD	
C[C@@H]1C[C@@H](NC2C[C@@H]3CC[C@H](C2)N3C)c2c(O)ccc(F)c21	834891805	JLWKUFLMGFCRAN-ZWOWXGAWSA-N	304.409	3.294	10	20	DGCD	
CC1(C)C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1	732822394	DRSRAMFIJSXXEX-HNNXBMFYSA-N	301.434	3.132	10	20	DGCD	
CC(=O)c1cc(F)cc(Cn2cnc3c2C[C@@H](C)[C@H](C)C3)c1O	830919317	ZLVPASHDTSZCBX-GHMZBOCLSA-N	316.376	3.350	10	20	DGCD	
CC(C)N1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	914581413	CXEQFDSPVRHUMV-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
COc1cccc(CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1O	839191784	JLEULXPCJTYJDT-LSDHHAIUSA-N	307.434	3.473	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H](CO)Cc2ccccc21	590049637	XLWWQYUPNNQILR-KKTNHOPESA-N	324.380	3.279	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(CN)cc2)c2c(O)ccc(F)c21	843344081	PPXZWBMDYRJPLI-NHYWBVRUSA-N	300.377	3.328	10	20	DGCD	
Cc1ccccc1[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1	841301061	YPDKNQKDVYKQGY-KRWDZBQOSA-N	311.385	3.183	10	20	DGCD	
NCc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1	841323081	XKIYBSAOUAFUSW-UHFFFAOYSA-N	324.428	3.067	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1cn(C)nc1C	840895341	XEUKTUVSURVOHA-LSDHHAIUSA-N	314.477	3.385	10	20	DGCD	
COCc1ccc(CN[C@H](C)c2cccc(OC)c2O)cc1	846138266	JFDXCCFVVSZIBY-CYBMUJFWSA-N	301.386	3.398	10	20	DGCD	
CCOc1cccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1O	840956306	MZDRRYOQHOLTIV-DLBZAZTESA-N	313.397	3.099	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CC(C)C1	840315634	ZTCUUYQLVDLNDD-UGWHAMFMSA-N	303.450	3.090	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H]2COc3cc(F)ccc3C2)c1O	850537796	URUTYAHVLZHPSE-RISCZKNCSA-N	317.360	3.194	10	20	DGCD	
C[C@H]1CC[C@H](C)C1NCc1ccc(N2CCC(O)CC2)c(F)c1	924762310	ZNBPQFNCPVAQKV-KBPBESRZSA-N	320.452	3.311	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](O)CNCc1c(O)ccc(Cl)c1F	850412445	XYYUFJZNHHOSAB-BDJLRTHQSA-N	323.795	3.439	10	20	DGCD	
C[C@H](Cc1ccsc1)NC(=O)N[C@H](C)c1ccccc1O	868127193	ZLPXODAROSYODK-VXGBXAGGSA-N	304.415	3.445	10	20	DGCD	
O=C(/C=C/c1ccc2ccccc2n1)NCc1ccccc1O	769363169	PHOOHEDCNPFETH-VAWYXSNFSA-N	304.349	3.270	10	20	DGCD	
COc1cccc(CN2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)c1O	768913686	PGUJOTPLZKHFEI-UXLLHSPISA-N	318.461	3.238	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H](CO)Cc2ccco2)cc1	768841644	MHYXOCNXVITZTC-CVEARBPZSA-N	316.445	3.238	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cnc(C2CC2)o1	878986781	XQRCIQDELZVDTG-UHFFFAOYSA-N	312.369	3.066	10	20	DGCD	
Cc1ccc(CNc2cccc(-c3nnnn3C3CC3)c2)c(O)c1	876839414	VHVJUNHUXFPVNY-UHFFFAOYSA-N	321.384	3.301	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)c1O	775059032	HIUFGHFKWORFNK-NQBHXWOUSA-N	308.378	3.223	10	20	DGCD	
C[C@H](NCCCn1cncn1)c1cc(Cl)c(Cl)cc1O	774300270	ZHOYWOFQJMPYPR-VIFPVBQESA-N	315.204	3.031	10	20	DGCD	
CCn1nc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C	773007406	IOCJFKXOMLHJLO-GFCCVEGCSA-N	314.433	3.077	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C	776126290	AWGXRMBSORLITC-WMLDXEAASA-N	315.461	3.399	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	773990689	WGCZPKVYECJCSA-ZWLSGLHFSA-N	315.442	3.408	10	20	DGCD	
C[C@@H](Nc1ccc2nnc(C3CC3)n2n1)c1ccc(N(C)C)cc1	772298019	PTVPOEXCORMMAE-GFCCVEGCSA-N	322.416	3.241	10	20	DGCD	
C[C@H](NC[C@H](O)[C@@H](C)c1ccccc1)c1c(O)cccc1F	886640100	RJJGCBZDOOJLRJ-DCGLDWPTSA-N	303.377	3.347	10	20	DGCD	
CC(=O)CC(C)(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	788534383	OVQVCWNIRSCIDY-CQSZACIVSA-N	304.434	3.325	10	20	DGCD	
COc1ccc(CNCCCSCC(C)C)c(O)c1OC	893245205	JAIQNRBELRWJRZ-UHFFFAOYSA-N	313.463	3.278	10	20	DGCD	
Cc1nc(C)c(CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1	895485274	OSAAFSJVFWREMF-UHFFFAOYSA-N	317.458	3.027	10	20	DGCD	
CC1=NO[C@H](CNCc2ccc(N(C)C)cc2C(F)(F)F)C1	895305604	UTAKKBZEMJJOCB-ZDUSSCGKSA-N	315.339	3.026	10	20	DGCD	
COC/C=C/C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	791338926	FOSGEFHGWDBFNX-RMKNXTFCSA-N	316.445	3.274	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1csc(NC(C)=O)n1	796316671	GMMWGRPTIRHXRB-UHFFFAOYSA-N	317.414	3.063	10	20	DGCD	
Nc1ccc(NC(=O)NC2CC(OCc3ccccc3)C2)cc1	716304175	AHZPFWJXYKBYKR-UHFFFAOYSA-N	311.385	3.138	10	20	DGCD	
COc1ccc(N(CC(=O)OC(C)C)Cc2ccco2)cc1F	1319604121	RTZXSTFBPKVFNK-UHFFFAOYSA-N	321.348	3.386	10	20	DGCD	
c1ccc2c(c1)CNCCN2Cc1ccc(N2CCCC2)cc1	1325318322	DTWYFSYDBOBFJD-UHFFFAOYSA-N	307.441	3.397	10	20	DGCD	
CN1CCN(c2ccc(CNCCCC(C)(C)C)cc2F)CC1	1322012425	LJNJRSNNJZXEJR-UHFFFAOYSA-N	321.484	3.493	10	20	DGCD	
Cc1nnc(O)c(CN[C@@H](C)c2cc(Cl)ccc2O)c1C	1320132395	WYDQMNJSGFWYQZ-JTQLQIEISA-N	307.781	3.009	10	20	DGCD	
Nc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1	1335287832	BXRIYVYYEMEQRS-AWEZNQCLSA-N	324.350	3.321	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@H]2Cc2ccccc2)c(O)c1OC	1336735883	PKZFAMQGIQARFP-HZPDHXFCSA-N	313.397	3.130	10	20	DGCD	
CCON(CC1CCCCC1)C(=O)NCc1ccc(N)cc1	1346739756	UQCYZBCQNMTDKE-UHFFFAOYSA-N	305.422	3.312	10	20	DGCD	
CC[C@@](NCc1ccc(F)c(F)c1O)(C(=O)O)c1ccccc1	1605099555	GSQVSUWJXJREBF-KRWDZBQOSA-N	321.323	3.150	10	20	DGCD	
CC(C)CC1(C(=O)O)CCN(Cc2ccc(N(C)C)cc2)CC1	1776320832	HZRSELKZGMQHNO-UHFFFAOYSA-N	318.461	3.466	10	20	DGCD	
Cc1ccc(CNCc2cccc(Br)c2O)cn1	60942083	CDCLSCFDAAIEST-UHFFFAOYSA-N	307.191	3.148	10	20	DGCD	
C[C@@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O	183631391	LKKIGOQOWIENGB-WBVHZDCISA-N	324.424	3.092	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC[C@H]3C[C@@H](C)O)c2c1	305274156	ZRMUCZXKQQXOJR-HIFRSBDPSA-N	315.413	3.289	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(F)cc1O	123464536	XLKQSHWCZBEHBM-UHFFFAOYSA-N	300.333	3.384	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@]3(CCSC3)C2)c1	186136202	IXMSDKDPYGHRFX-JJRVBVJISA-N	307.459	3.406	10	20	DGCD	
COCCOc1ccc(CN[C@H](C)c2ccc(F)cc2O)cc1	185012238	MIDPYEBLZDDPCM-CYBMUJFWSA-N	319.376	3.407	10	20	DGCD	
CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1	189405307	UNHKTURJVCAMSN-CVEARBPZSA-N	317.477	3.194	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)c2ccncc2)c1	132757574	WPYBWKCATNBLKQ-OLZOCXBDSA-N	314.385	3.167	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCc2ccccc21)c1ccc(F)cc1O	186165576	RWGBWUAYAHZEGV-KZULUSFZSA-N	301.361	3.016	10	20	DGCD	
Nc1ccc(CC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1	194122767	MPYVRKMLGBGESD-UHFFFAOYSA-N	324.302	3.026	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1ccccc1-n1cccn1	47539342	NQCDORHDTVBFOS-UHFFFAOYSA-N	322.368	3.242	10	20	DGCD	
CCO[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1	140398108	IWVLPACCZRIYKZ-GOSISDBHSA-N	312.413	3.147	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCOC2(CCC2)C1	93640292	YEYRNPIVWODLNN-UHFFFAOYSA-N	302.201	3.454	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H](O)Cc1ccccc1)c1ccc(F)cc1O	248488791	HAHLJPCXWLSRIU-AHIWAGSCSA-N	303.377	3.174	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCSC1	267286714	HZSMDEPKHOERDL-OAHLLOKOSA-N	321.490	3.180	10	20	DGCD	
COC[C@H](CN[C@@H](C)c1ccc(N2CCCCCC2)cc1)OC	272699688	RTMVZLNDPAEKRP-LPHOPBHVSA-N	320.477	3.379	10	20	DGCD	
COc1ccc(O)c(CNCCc2nc3c(C)cccc3o2)c1	271829598	OQGAIGXFBJZSSJ-UHFFFAOYSA-N	312.369	3.183	10	20	DGCD	
C[C@H](NCCc1cnn(C)c1)c1cc(Cl)c(Cl)cc1O	278220483	IWWANVVHRCHFGT-VIFPVBQESA-N	314.216	3.326	10	20	DGCD	
Cc1nc2c(C(=O)N(C)Cc3ccc(N(C)C)cc3)cccc2o1	280557693	BGOOETHMJPNHMV-UHFFFAOYSA-N	323.396	3.474	10	20	DGCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)c2ccccc2O1	297795169	MXXJMVMJVLVHMT-IUODEOHRSA-N	312.369	3.104	10	20	DGCD	
CCCCOCC(=O)NCc1cc(Cl)cc(Cl)c1O	807835897	BQWVTJUBDVFTNH-UHFFFAOYSA-N	306.189	3.132	10	20	DGCD	
Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1	298863572	TZIMADHDPFCYSU-UHFFFAOYSA-N	314.389	3.246	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@]2(C)CCCO)c1O	290301375	BHOFAPFJPDXNKK-INIZCTEOSA-N	313.825	3.181	10	20	DGCD	
C[S@@](=O)Cc1ccc(CNCc2cccc(Cl)c2O)cc1	809718387	JFVVZYCUTSOPIG-OAQYLSRUSA-N	323.845	3.214	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)OCCC(C)C)c1	728981832	FLWWOTSJYGFYBE-STQMWFEESA-N	309.406	3.029	10	20	DGCD	
Oc1ccccc1CNCCNc1ccc(-c2ccccc2)nn1	725851637	VFQWPQALXOKWAT-UHFFFAOYSA-N	320.396	3.051	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nccc3ccccc23)c1	728982169	JGZADIDYEAOCFS-GFCCVEGCSA-N	322.364	3.440	10	20	DGCD	
CCC[C@@H](C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	822580157	QXBYJLAZPYHJQZ-CABCVRRESA-N	319.449	3.009	10	20	DGCD	
Cc1cc(CNCc2cc(Br)cc(C)c2O)ccn1	824596134	FWASOSBUDMDWPZ-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
COCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1	837541160	GGPGDRFEDYIAQZ-CQSZACIVSA-N	304.434	3.137	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)C(C)(C)C)CC2)cc1	734391781	MJCGFFWDNOPMCC-AWEZNQCLSA-N	318.461	3.462	10	20	DGCD	
O=C1OCCN1Cc1cccc(N[C@@H]2CCc3cccc(O)c32)c1	834709147	CLEUGBSSBSFCQB-MRXNPFEDSA-N	324.380	3.444	10	20	DGCD	
Cc1cccc(C)c1NC(=S)NCc1cc(N(C)C)ccn1	905618852	PIYWRWWEQWZNOL-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
CC[C@@H]1CCC[C@H]1CNC(=O)NCc1cc(OC)ccc1O	838474315	IDZGXJCEDARDDE-OLZOCXBDSA-N	306.406	3.026	10	20	DGCD	
COc1cccnc1CN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	834907236	ZEGVESPXNOMAIY-ZYHUDNBSSA-N	302.349	3.273	10	20	DGCD	
C[C@@H]1CN(CN2CCCc3cc(OC(F)F)ccc32)C(=O)[C@@H]1C	840037962	ZJBAXZBBECGTOK-VXGBXAGGSA-N	324.371	3.113	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ncc(C(=O)O)s2)cc1C	843305865	IALVPVCJOZGWKU-SNVBAGLBSA-N	306.387	3.009	10	20	DGCD	
Cc1noc(CN(C)Cc2cc(Cl)cc(Cl)c2O)n1	848927807	OBYVMIQGXRFDPP-UHFFFAOYSA-N	302.161	3.022	10	20	DGCD	
Cc1nnsc1CN1CCCc2cc(OC(F)F)ccc21	844305149	OYHWYFNHNUBFID-UHFFFAOYSA-N	311.357	3.401	10	20	DGCD	
C[C@H]1CCCC[C@@H]1OCC(=O)NCc1cc(Cl)ccc1O	846476348	NQZPGTBSSPIVNT-NHYWBVRUSA-N	311.809	3.257	10	20	DGCD	
COCCCN(CCOC)Cc1cc(C(C)C)c(C)cc1O	921054781	JVYWZQJETSBGOE-UHFFFAOYSA-N	309.450	3.309	10	20	DGCD	
C[C@H](NC1COC(C)(C)OC1)c1cc2c(cc1O)CCCC2	757698279	OONNBBUKGYFCBV-LBPRGKRZSA-N	305.418	3.073	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@H]2CCOC(C)(C)C2)cc1F	858175554	PVZLDTKOTQCTSD-LBPRGKRZSA-N	312.404	3.326	10	20	DGCD	
Cc1cc(C(=O)N(C)CC(C)(C)N)c(C)n1-c1ccc(F)cc1	852898849	QATJSJCIPVJBQV-UHFFFAOYSA-N	317.408	3.043	10	20	DGCD	
CCC[C@@H](OCC)C(=O)NCc1ccc(N(CC)CC)cc1	858604450	GTGZPUTZTOKDLG-QGZVFWFLSA-N	306.450	3.354	10	20	DGCD	
CCn1ncc(C(=O)NCc2ccccc2O)c1-c1ccccc1	756859713	CKFCTETYNMWBET-UHFFFAOYSA-N	321.380	3.206	10	20	DGCD	
CC[C@H]1CC(=O)N(CN(Cc2ccc(N(C)C)cc2)C(C)C)C1	755913328	NRTNJVSBGGBLLM-INIZCTEOSA-N	317.477	3.179	10	20	DGCD	
C[C@H]1CCSCCN1Cc1cc(F)c(N(C)C)cc1F	862343561	SMOQNXLAGNQCBS-NSHDSACASA-N	300.418	3.358	10	20	DGCD	
Cc1nnc(NCc2c(O)cccc2Br)n1C1CC1	865293505	ZPABOSLEYLVJDH-UHFFFAOYSA-N	323.194	3.002	10	20	DGCD	
CC[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1O	866463919	QGKVOQONCOGANG-VIRWGQHYSA-N	311.731	3.398	10	20	DGCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccccc1O	769362838	KNBMYMKUYVNVDZ-UWWQBHOKSA-N	319.445	3.486	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCC(=O)CC2)c1	765419673	HQDCPEGFVXIVFR-UHFFFAOYSA-N	310.397	3.208	10	20	DGCD	
Oc1ccccc1CNc1ccc2nnc(-c3ccsc3)n2n1	775460679	VBWOURXDQVCDAC-UHFFFAOYSA-N	323.381	3.171	10	20	DGCD	
CC(C)C1(C)CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	777561208	GWJDGKQOPLMLBG-MRXNPFEDSA-N	305.418	3.076	10	20	DGCD	
CCN(CC)CCOCCN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21	1116588334	CTMRUIDLZNSIHS-HZPDHXFCSA-N	320.477	3.197	10	20	DGCD	
C[C@H](NC(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)c1ccc(N(C)C)cc1	776170964	QXKTVJOYBLLWGZ-LLLJDESDSA-N	313.445	3.157	10	20	DGCD	
Cc1noc(C2CC2)c1NC(=O)N[C@H](C)c1ccccc1O	1122027813	JYCFTIBRHNKBPE-SECBINFHSA-N	301.346	3.449	10	20	DGCD	
CC[C@H](N[C@@H](CO)C[C@H]1CCCO1)c1cc(Cl)ccc1O	886669604	BBOOXUVWNSAPSZ-NFAWXSAZSA-N	313.825	3.016	10	20	DGCD	
COc1ccc(CNCc2ccccc2OCC(F)F)c(O)c1	894634200	CZYTXRLJVXGNSB-UHFFFAOYSA-N	323.339	3.335	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1O	894359498	QGULUTZZVLXAKY-QGTPRVQTSA-N	317.429	3.147	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)c(O)c1OC	894213032	FDKGSXXDRXHBCU-WKILWMFISA-N	313.397	3.445	10	20	DGCD	
CC[C@H](NCCCOC[C@@H]1CCOC1)c1ccc(F)cc1O	796781036	UMSNEMUVUNFOBU-BBRMVZONSA-N	311.397	3.015	10	20	DGCD	
CC(C)[C@H]1CN(Cc2c(O)cccc2Br)CCO1	708999828	HWLHVMYWXBENJM-CQSZACIVSA-N	314.223	3.012	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)c1O	1318781115	XUHYIAVNHUQMDA-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c1OCC2	1335225354	YYMQZDJCOXGHON-UHFFFAOYSA-N	308.381	3.474	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H](C(C)(C)C(=O)O)C2)c(O)c1	1605690659	MXVGHUYWIPCSOL-AWEZNQCLSA-N	321.417	3.114	10	20	DGCD	
Cc1cc(CN[C@@H](C(=O)O)C(C)C)ccc1N1CCCCC1	1574329488	DILQTOLURSYARM-QGZVFWFLSA-N	304.434	3.184	10	20	DGCD	
CC1(C)C[C@H](NCc2cc(Br)ccc2O)CCO1	160466349	YRVZEKCUALRCGB-GFCCVEGCSA-N	314.223	3.202	10	20	DGCD	
CCOc1cccc(CN(CCN(C)C)C2CCCC2)c1O	154617556	VEPNBCHGWVLNMY-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
C[C@H]1CN(c2ccc(CNc3ccccn3)cc2F)C[C@@H](C)O1	52457073	HNYKDXBOFGFTHW-OKILXGFUSA-N	315.392	3.446	10	20	DGCD	
C[C@H]1[C@@H](NCc2cc(F)ccc2O)CCN1Cc1ccccc1	309849987	ZTJAVIMYEJJSHB-KSSFIOAISA-N	314.404	3.284	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CC[C@H]3CCCCO3)ccc21	110259184	FQCICYYXIPECHC-QGZVFWFLSA-N	316.445	3.035	10	20	DGCD	
COc1cccc(CNC(=O)C[C@H]2CCc3ccccc32)c1O	115712023	WNFNFIZBDWFZKP-CQSZACIVSA-N	311.381	3.137	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1SCCc2ccccc21	175504853	AMNNJDMOGHHZLY-KRWDZBQOSA-N	313.422	3.381	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC2CCN(C3CC3)CC2)cc1	119660158	GVDLYTHQAFXURI-HNNXBMFYSA-N	301.478	3.420	10	20	DGCD	
C[C@H](NCCc1nc2c(F)cccc2n1C)c1ccccc1O	183605077	FJGKQEPGSLEOTK-LBPRGKRZSA-N	313.376	3.311	10	20	DGCD	
Cc1cc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)o1	180715356	DGPAWKHTPNBZKL-ZRQQLDRUSA-N	301.342	3.198	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2)[nH]1	182534157	RKUXFIGILMFVRY-UHFFFAOYSA-N	308.337	3.023	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC23CCCCC3)c1	180565154	AXIJARABQDEPPR-LRDDRELGSA-N	318.417	3.484	10	20	DGCD	
Cc1cccc(C[C@@H](CO)N[C@H](C)c2ccc(N(C)C)cc2)c1	191606161	JDRJLHPNSRDGQT-APWZRJJASA-N	312.457	3.315	10	20	DGCD	
C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CCC1	131199913	BAZPJYQLBOSRGA-GFCCVEGCSA-N	302.418	3.259	10	20	DGCD	
COC(=O)[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	93440924	QMRGEGOQTJRQBL-GOSISDBHSA-N	316.445	3.204	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1	93102474	XNEMTEWYTHSQPI-INIZCTEOSA-N	304.434	3.059	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc(OCC(C)(C)O)cc2)c1	269442376	JRLHZCUNHXBSNO-UHFFFAOYSA-N	301.386	3.462	10	20	DGCD	
Cc1onc(-c2cccnc2)c1C(=O)N(C)Cc1ccccc1O	367532718	DEPQOYYAXCQKIB-UHFFFAOYSA-N	323.352	3.023	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](CO)Cc2ccc(F)cc2)c1	273437599	XNPCJOZMIJQNEX-HOCLYGCPSA-N	317.404	3.342	10	20	DGCD	
COc1cccc(CN(C)C[C@H]2OCCc3ccccc32)c1O	271133996	LLUWGIGYLMUZLO-GOSISDBHSA-N	313.397	3.147	10	20	DGCD	
CCC1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1	277871505	OJHRKTWYKQTLAJ-UHFFFAOYSA-N	322.792	3.000	10	20	DGCD	
CCCN(Cc1cc(Cl)cc(OC)c1O)CC(C)(C)O	273755810	ODISJKAAJHGMTJ-UHFFFAOYSA-N	301.814	3.037	10	20	DGCD	
CC(C)N1C[C@@H](N[C@@H](C)c2ccc3ccccc3c2O)CC1=O	273449187	FOSOMCYAKPMEMF-ZFWWWQNUSA-N	312.413	3.205	10	20	DGCD	
Cn1ccnc1[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	373230617	NQUGLRLGNCMCIM-GFCCVEGCSA-N	305.809	3.159	10	20	DGCD	
CN(C)c1ccc(CN(Cc2cnn(C)c2)Cc2ccco2)cc1	289910701	UZJNFNMRMDZZCA-UHFFFAOYSA-N	324.428	3.282	10	20	DGCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)C1(c2ccccc2)CC1	808516563	MOUHAUGODAQHDE-NSHDSACASA-N	316.378	3.300	10	20	DGCD	
Cc1nccn1CCNC(=O)c1cc(C)n(-c2ccccc2)c1C	299495822	QCRJMTBKKSIWER-UHFFFAOYSA-N	322.412	3.029	10	20	DGCD	
Cc1c(N[C@H](C)c2ccccc2O)cnn1C1CCOCC1	296633473	BODHGGUUWSSXND-GFCCVEGCSA-N	301.390	3.422	10	20	DGCD	
CC[C@H](N[C@@H](C)c1ccc(Br)cc1O)C(C)(C)O	295100903	VZHKWNUCRUNTDR-ZANVPECISA-N	316.239	3.355	10	20	DGCD	
C[C@@](O)(CN[C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1	296877230	OBRHNVPBDITBLP-CRAIPNDOSA-N	301.361	3.016	10	20	DGCD	
C[C@]1(CNCc2cc(F)ccc2O)OCCc2sccc21	291528375	JVAIGNDHANISEA-MRXNPFEDSA-N	307.390	3.171	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2C)SC1=S	806554449	UFUDOWOABJGVBP-WQLSENKSSA-N	323.439	3.233	10	20	DGCD	
CC[C@H](N[C@H]1CCN(C)C1)c1ccc(C(F)(F)F)cc1O	810215630	ISIHBVNEWHNGDW-AAEUAGOBSA-N	302.340	3.156	10	20	DGCD	
CC[C@@H](N[C@H](CN)C1CC1)c1cc(Cl)cc(Cl)c1O	817961364	XTUKCSVSHFUNTJ-CHWSQXEVSA-N	303.233	3.477	10	20	DGCD	
Cc1cc(CNC(C)(C)C(=O)NCC(C)(C)C)ccc1N(C)C	815080850	KLASNRIMLSWKMI-UHFFFAOYSA-N	319.493	3.092	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@H]2CCCc3sccc32)cc1	817938750	RHCNELAYAHIGIU-IRXDYDNUSA-N	315.486	3.481	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CCc2cccnc21)c1ccc(N(C)C)cc1	819931750	SWKUQYISBQHNHK-GUYCJALGSA-N	309.413	3.055	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)CC3CCCC3)C2)cc1	819578484	NBMALTXXBIHNNN-MRXNPFEDSA-N	316.445	3.218	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2scnc2Cl)c1	728983363	YQPLVAFYDNSBNM-ZETCQYMHSA-N	312.778	3.002	10	20	DGCD	
CCOc1cccc(CN[C@H](C(C)C)[C@H](CO)C(C)C)c1O	824844854	DVHCTGNKAKXHAK-NVXWUHKLSA-N	309.450	3.170	10	20	DGCD	
COc1ccc(N(CCC(C)C)C[C@H]2CCNC(=O)CC2)cc1	829352252	AQWDZRBAJZGXRV-MRXNPFEDSA-N	318.461	3.464	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CC[C@@H](C(=O)O)CC2)cc1F	904056815	PHGFWHZGQBWOAY-GASCZTMLSA-N	322.424	3.405	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N(C)[C@@H](C)CC(C)C)cc1	739922948	ABQRHOHJLBZBGO-HNNXBMFYSA-N	306.450	3.415	10	20	DGCD	
CC(C)Oc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1	662809093	DQGBTOQVICWMIA-UHFFFAOYSA-N	324.424	3.396	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CCCCC1(F)F	837586924	HLLGGHHFQBFQCP-HWPRWLFBSA-N	312.312	3.480	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1O	838729713	ISSFOMMQBVQYPO-HZSPNIEDSA-N	320.433	3.415	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)c2cc(C)c(C(=O)O)o2)c1	833733971	XDRUYMJIRQMTRK-QWRGUYRKSA-N	319.357	3.412	10	20	DGCD	
COc1cccc([C@@H](C)NCC2(CN(C)C)CCCC2)c1O	846161962	DDDLMPPUHLBAIQ-CQSZACIVSA-N	306.450	3.173	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H]1OCCc2sccc21	841299298	IUNDGNQFWVRFSY-ZUZCIYMTSA-N	317.414	3.154	10	20	DGCD	
CCOc1ccc(CN[C@H](COC)Cc2ccccc2)c(O)c1	747100511	JAFZFXBPVNTKFO-KRWDZBQOSA-N	315.413	3.138	10	20	DGCD	
CCC/C=C\C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	752151506	JCYFEULXWFXJBE-QNYYUSOESA-N	303.402	3.256	10	20	DGCD	
COc1cc(CNCC[C@H](C)CCO)c(O)c(C(C)(C)C)c1	850312295	HLJBJNKORJFNAJ-ZDUSSCGKSA-N	309.450	3.197	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@@H]3CC=CCC3)cc2)CC1	850405636	XKCOBBLZFKYOMT-MRXNPFEDSA-N	300.446	3.094	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H](O)CCc1ccccc1	753596039	QWLQTHZPHZUBAP-HNNXBMFYSA-N	323.795	3.268	10	20	DGCD	
C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O	756775698	RGPVJCJTWNIDQQ-XHDPSFHLSA-N	323.795	3.439	10	20	DGCD	
CCC(=CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)CC	856212706	SLZVZVQNMQJRJB-UHFFFAOYSA-N	316.445	3.010	10	20	DGCD	
C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1O	756536937	XINVFMYAPQVYJR-SNVBAGLBSA-N	322.311	3.472	10	20	DGCD	
CC[C@@H](O)CCCN[C@@H](C)c1ccc(Br)cc1O	756734024	UPPBHURMPKVLJX-CMPLNLGQSA-N	316.239	3.356	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2Cc3ccccc3NC2=O)cc1	858527489	HRNYCEWFGBQXBK-LIRRHRJNSA-N	323.440	3.357	10	20	DGCD	
CCOc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])c(O)c1	768338069	YLGGLWZXDUSPBC-UHFFFAOYSA-N	316.357	3.331	10	20	DGCD	
CN(Cc1nccs1)Cc1c(O)cccc1Br	862247919	OFBZKWXWRIKTMM-UHFFFAOYSA-N	313.220	3.243	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(CN(C)C)CC2)cc1	768301741	KGBOXNKKLWLMSD-UHFFFAOYSA-N	303.494	3.306	10	20	DGCD	
CCC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1	760300138	PHHGPBUXJANTPI-UHFFFAOYSA-N	310.397	3.275	10	20	DGCD	
CCc1nc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)s1	779308954	GIQZECVYISDYOU-FNORWQNLSA-N	304.371	3.077	10	20	DGCD	
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1O	770035730	SEQLLEJBQZXXAU-UHFFFAOYSA-N	314.341	3.156	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC=C(c3ccccc3)C2)cc1	776966225	NCDXNEWSGKWMSP-UHFFFAOYSA-N	321.424	3.361	10	20	DGCD	
Cc1cnc(Cl)c(C(=O)NCc2ccc(N(C)C)cc2C)c1	878863749	DRHZCDGQMJVWFM-UHFFFAOYSA-N	317.820	3.348	10	20	DGCD	
C[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	776309742	MLFKJLXIRCKSLS-INMHGKMJSA-N	316.445	3.137	10	20	DGCD	
C[C@@H]1CCCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	888589578	MFZRCIDAUUMQEW-CYBMUJFWSA-N	321.384	3.413	10	20	DGCD	
COc1ccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	772996343	DERNHIUDJSREHA-CQSZACIVSA-N	312.413	3.181	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCOC1	780713247	BJTIOAKPKQXCDL-NVXWUHKLSA-N	320.502	3.145	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(O)c1O	780893181	OXEFHCKQMLUGAB-XIKOKIGWSA-N	303.402	3.447	10	20	DGCD	
COc1ccc(CNC(=O)/C=C\SCc2ccco2)c(O)c1	794378522	USXFZMKMADHKSP-VURMDHGXSA-N	319.382	3.057	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2C)c(O)c1	792918530	UFKTYSXEGJMAJT-STQMWFEESA-N	306.406	3.026	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H](C)CCC(C)(C)C)c(O)c1	792951255	PZYYJQYCLWXDHV-LBPRGKRZSA-N	308.422	3.415	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@@H](N2CCCC2)C1	1319933536	VDRNKBXEKVBQHN-HXUWFJFHSA-N	313.489	3.347	10	20	DGCD	
Cc1cc(-c2nnc([C@H]3CCO[C@H]3C)o2)c(C)n1-c1ccccn1	1327071488	NHCWQFQHUQINAP-KBPBESRZSA-N	324.384	3.432	10	20	DGCD	
CO[C@@H]1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	1337237836	RVYZFQPBLRVBSH-CMPLNLGQSA-N	318.200	3.130	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc([C@H]2C[C@@H]2C(C)(C)C)n1C	1339571733	PKORYGTUOCNCSF-KBPBESRZSA-N	314.433	3.307	10	20	DGCD	
CC1(C)C[C@]1(C(=O)NCc1cccc(O)c1O)c1ccccc1	1263896219	RZHBOGZILXWNNT-LJQANCHMSA-N	311.381	3.082	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CC[C@H](CF)C1	1347667187	BYZGJUOJJIMXQW-LLVKDONJSA-N	324.425	3.164	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnoc1C(C)C	1527715818	LVUSOMLUSSQPMX-UHFFFAOYSA-N	301.390	3.102	10	20	DGCD	
C[C@H](N[C@H](c1ccncc1)C1CC1)c1cc(C(=O)O)ccc1O	1604325564	OSJGAPULICLYIQ-GTNSWQLSSA-N	312.369	3.287	10	20	DGCD	
Cc1cc(Sc2ncc(C(=O)O)s2)c([N+](=O)[O-])s1	1600303518	ORFLKAOYPMPDIR-UHFFFAOYSA-N	302.358	3.271	10	20	DGCD	
COc1ccc(N[C@@H](C)c2cc(C(=O)O)ccc2O)cc1F	1607275829	NOXVKXFQKDRYBO-VIFPVBQESA-N	305.305	3.411	10	20	DGCD	
Cc1cc(C)c(COc2ccc(N(C)C)c(C(=O)O)c2)c(C)n1	1607620082	QQCQMQHLGVNMQG-UHFFFAOYSA-N	314.385	3.350	10	20	DGCD	
CC/C=C(/C)C(=O)N(CC)CCNCc1ccc(OC)c(C)c1	1754036631	XTINLPQWXSRCJI-NVNXTCNLSA-N	318.461	3.298	10	20	DGCD	
C[C@@H](NCc1ccc(F)cc1F)c1cc(C(=O)O)ccc1O	1593299297	RBWOSPULSOGHFX-SECBINFHSA-N	307.296	3.219	10	20	DGCD	
CN(C)c1cc(F)c(/C=C/c2ncc(C(=O)O)s2)cc1F	1777038101	XACXBWVGUFQLHP-ONEGZZNKSA-N	310.325	3.356	10	20	DGCD	
CCN1CCCc2cc(CNCC3(C(=O)O)CCCC3)ccc21	1776875576	RBEWZHHZSSXAQJ-UHFFFAOYSA-N	316.445	3.194	10	20	DGCD	
O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(O)c(F)c1	158761315	OOXGLKAQLJAKTC-NTEUORMPSA-N	320.389	3.424	10	20	DGCD	
CC[C@H](NC[C@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1	152430717	YDUAXUQRACYFKK-BEFAXECRSA-N	301.478	3.278	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCN2CCC[C@H]2C1	252667789	NYMJNZBFCOPNNC-STQMWFEESA-N	315.244	3.415	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2OC)c1	103503320	DVYPDWVMBOGQEZ-NSHDSACASA-N	316.357	3.292	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)/C=C(/C)C3CC3)CC2)cc1	102382177	AXWRSDVCCYDIAQ-YPKPFQOOSA-N	314.429	3.137	10	20	DGCD	
COCCOc1cccc(NCc2cccc(OC)c2O)c1	119753669	ZFVBCGXIESYCHB-UHFFFAOYSA-N	303.358	3.038	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc[nH]c1=S	115489809	CCZUQTKZGUWSGL-UHFFFAOYSA-N	301.415	3.049	10	20	DGCD	
CC(C)CONC(=O)N(Cc1ccco1)Cc1ccccc1O	121147015	RKAIVTMPMPHRST-UHFFFAOYSA-N	318.373	3.285	10	20	DGCD	
CCN(Cc1cc(Br)cc(OC)c1O)C(C)C	126349221	DYBRVMBQWKBDMX-UHFFFAOYSA-N	302.212	3.394	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)[C@H](c1ccccc1)N(C)C	185678876	VOVAQOYIVXMHTK-FOIQADDNSA-N	310.441	3.403	10	20	DGCD	
CCN(CC1CCC1)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	317760683	BDNJUTYLWARNRP-CLFYSBASSA-N	304.346	3.319	10	20	DGCD	
Cc1cnccc1NCc1ccc(N2CCC(O)CC2)c(F)c1	191979295	VRJUAYJPCMHPCV-UHFFFAOYSA-N	315.392	3.102	10	20	DGCD	
CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(O)c1O	266214911	OHLGMMZJYMQGTG-MRXNPFEDSA-N	318.417	3.031	10	20	DGCD	
Cc1c(CNC(=O)c2cccc3[nH]ncc23)n(C)c2ccccc12	352111852	NTIXPUTZIRULBZ-UHFFFAOYSA-N	318.380	3.293	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(-n2ccnn2)c1	806138204	XADOZTCDECPWJH-CQSZACIVSA-N	320.396	3.053	10	20	DGCD	
C[C@H](NC1CCC(N)CC1)c1cccc(C(F)(F)F)c1O	817947769	QLPFVOKKEGMYNF-WHXUTIOJSA-N	302.340	3.332	10	20	DGCD	
CO[C@](C)(C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1	812575839	ORBITKYFJODUBS-AWEZNQCLSA-N	318.200	3.130	10	20	DGCD	
CN(Cc1c(O)ccc(Cl)c1F)C[C@H](O)Cc1ccccc1	816624645	BXCGQOFSONQMDH-CYBMUJFWSA-N	323.795	3.220	10	20	DGCD	
Cc1ccoc1CN(C)Cc1ccc(N2CCOCC2)c(F)c1	814174844	KSASZPOEYSXRLR-UHFFFAOYSA-N	318.392	3.196	10	20	DGCD	
Cc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C)o1	816682238	SEJYYNDCNRXGRF-UHFFFAOYSA-N	315.156	3.234	10	20	DGCD	
Cc1nsc(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	814125325	YIGDDYIXRZURSV-SNVBAGLBSA-N	303.431	3.317	10	20	DGCD	
CCCCCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819579774	CSTLOYBCGKOLBA-OAHLLOKOSA-N	304.434	3.218	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2[C@H]2CCCOC2)ccc1N(C)C	828910098	CNIIEXLQEQSRCI-PKOBYXMFSA-N	302.462	3.452	10	20	DGCD	
Cc1cc(O)c(CN2CCN(C3CCC3)CC2)cc1C(C)C	733297618	MBGKUXNVANISRJ-UHFFFAOYSA-N	302.462	3.494	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2C[C@H]3CCCCN3C2=O)c1O	834914551	NPSBBVOZUPXANK-LNSITVRQSA-N	322.836	3.158	10	20	DGCD	
CCC1(CN[C@H](C)c2cc(Br)ccc2O)COC1	834898476	DPCIGFQGYVAOGE-SNVBAGLBSA-N	314.223	3.232	10	20	DGCD	
CC[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1	916617642	QXOODBUNMKFCBR-CQSZACIVSA-N	314.337	3.018	10	20	DGCD	
COc1cc(CN2CCC[C@H](OC3CCC3)C2)c(O)cc1C	848497626	NVLPFCAKFNUBIO-INIZCTEOSA-N	305.418	3.243	10	20	DGCD	
CO[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC(C)C	841583997	WTZJLOYXDMMTOS-RHSMWYFYSA-N	321.465	3.174	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc(Cl)s2)cc1	841044333	WDUWMBLBHLOXLT-AWEZNQCLSA-N	309.866	3.257	10	20	DGCD	
C[C@H](N[C@@H]1CCN(CC(F)F)C1)c1cc2c(cc1O)CCCC2	841766026	XWNSYJWUKSTNOS-SWLSCSKDSA-N	324.415	3.261	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@H](N)C2)c(C(F)(F)F)c1	841057303	IYDSSUUDBAEDGS-QWHCGFSZSA-N	315.383	3.131	10	20	DGCD	
CN(CC1(c2ccccc2)CC1)C(=O)NCCc1ccc(N)cc1	841957379	AMJLDWAYUMISGS-UHFFFAOYSA-N	323.440	3.185	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCc3cc(CN)ccc32)c1	843057455	MREQCNLQBIXYFT-UHFFFAOYSA-N	312.413	3.202	10	20	DGCD	
C[C@@H](NCCc1cnccn1)c1ccc(Cl)c(Cl)c1O	756788927	ZDSUPVLVKPWLEK-SECBINFHSA-N	312.200	3.382	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1cc(F)cc(F)c1O	757614586	VLXLRJZIIVGJPB-VIFPVBQESA-N	318.323	3.129	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2cn(-c3ccccc3)nn2)c(O)c1C	756741490	FTJNUSDHKUXAEY-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
CCC[C@@H](OCC)C(=O)N(CC)Cc1ccc(N(C)C)cc1	858825950	AYFBFQUCSIPLGM-QGZVFWFLSA-N	306.450	3.306	10	20	DGCD	
C[C@H](NCC1CCN(CC2CC2)CC1)c1ccc(F)cc1O	850583756	OTVWAHNWVVKFLT-ZDUSSCGKSA-N	306.425	3.304	10	20	DGCD	
CCOc1ccccc1CNC(=O)N[C@H](C)c1ccccc1O	868129355	XCXVQFWCZPQXCX-CYBMUJFWSA-N	314.385	3.351	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)CCOc2ccccc2)c1	862760227	OBDKQBKWNWRABP-OAHLLOKOSA-N	313.397	3.422	10	20	DGCD	
COc1ccc2c(c1)CCCN2CN1C(=O)[C@@H]2CCCCC[C@@H]21	766341050	JYRCOOCTGCRGHN-AEFFLSMTSA-N	314.429	3.196	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C	769469633	BWQKSDHFBSWOHL-HOCLYGCPSA-N	307.457	3.196	10	20	DGCD	
CCOCCC1(C(=O)NCc2cc(C)ccc2O)CCCC1	862757987	LDLOIQPVKQEWAC-UHFFFAOYSA-N	305.418	3.304	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC3(CCSCC3)CC2)cc1	868162441	HETZEUUKEYVPPL-UHFFFAOYSA-N	305.447	3.410	10	20	DGCD	
COC(=O)[C@@H]1CCCN1Cc1cc(-c2ccccc2)ccc1O	768232117	YDYNPANDMUOBQV-KRWDZBQOSA-N	311.381	3.197	10	20	DGCD	
CC[C@@H](CSC)N(C)Cc1ccc(N2CCC(O)CC2)cc1	877531909	ROBPSGBQKDDEEQ-INIZCTEOSA-N	322.518	3.221	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCCc1cccs1	770290844	JYXVBKDTKRZMQH-UHFFFAOYSA-N	304.415	3.228	10	20	DGCD	
CCc1cccc2c1N(C(=O)/C=C/c1ccc(O)c(O)c1)CC2	779506031	MQCGZTSIPJZVCJ-VQHVLOKHSA-N	309.365	3.263	10	20	DGCD	
CC1CCC(C)(NCc2ccc(N3CCN(C)CC3)cc2)CC1	771842257	GAHCZOGCGFHDGI-UHFFFAOYSA-N	315.505	3.497	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)c(O)c1O	780904086	YADITMJOZXWMPZ-GWCFXTLKSA-N	301.342	3.053	10	20	DGCD	
CCN(C(=O)/C=C/c1cnccc1C)c1ccccc1C(=O)OC	784005815	AFZXTKXWQBSILS-MDZDMXLPSA-N	324.380	3.243	10	20	DGCD	
CO[C@H]1Cc2ccc(NCc3cc([N+](=O)[O-])ccc3O)cc2C1	784631061	UGGMZMREBIUVSI-INIZCTEOSA-N	314.341	3.026	10	20	DGCD	
O=C(O)c1ccc(CNCc2ccc(N3CCCC3)cc2)cc1	76273273	BOUUSSCMYQNIEI-UHFFFAOYSA-N	310.397	3.275	10	20	DGCD	
COc1ccc2c(c1)N(C(=O)/C=C\c1cnccc1C)C[C@H](C)O2	784049834	RNSWJEIXZCIEGW-ZBKLQPJUSA-N	324.380	3.226	10	20	DGCD	
O=C1/C(=C/c2cccc3c2OCC3)SC(=S)N1C1CCC1	899260327	CTWMBUSDUFUIBN-LCYFTJDESA-N	317.435	3.375	10	20	DGCD	
COc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)cc1C	794365427	MIQRCIHCUJARLI-FNORWQNLSA-N	313.353	3.375	10	20	DGCD	
Nc1ccc(NC(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cc1	1325637829	AFWQVJKWOKKAIH-UHFFFAOYSA-N	309.369	3.054	10	20	DGCD	
O=C(O)c1cnc(SCc2csc([N+](=O)[O-])c2)s1	1602534961	QIHUJPVSURKQAY-UHFFFAOYSA-N	302.358	3.103	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1Cc2ccc(C(=O)O)cc2C1	1607667847	VWAZNJGQHBVIDN-UHFFFAOYSA-N	310.397	3.275	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C(=O)O)C1(OC)CCC1	1595747670	IKHOXPXDCFFCLI-MRXNPFEDSA-N	321.417	3.017	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)C2CCCCC2)cc1	1596194814	RYYOCXWVBGRVGE-QGZVFWFLSA-N	304.434	3.266	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CC[C@H](CC(=O)O)C2)cc1	1596194824	SRIAVVNWBUEXNR-IJEWVQPXSA-N	304.434	3.437	10	20	DGCD	
CCN(C)c1ccc(CNCc2ccccc2C(=O)O)c(C)c1	1776856494	FUNRXXMZTAPVKS-UHFFFAOYSA-N	312.413	3.439	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC2CCC3(CC2)OCCO3)cc1	161739864	OYUGBDNEKZVABF-OAHLLOKOSA-N	318.461	3.479	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCN3CCC[C@@H]3C2)cc1F	152081016	DTVWEKWOXPOSFW-DLBZAZTESA-N	319.468	3.388	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCCO3)cc2)CC1	153534563	YDGVOADPBHPNIK-SFHVURJKSA-N	316.445	3.108	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(C)c1F	156049518	RYHVNTVTQBJJRT-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
Cc1cc(C)n(CCCN[C@@H](C)c2ccc(N(C)C)cc2)n1	156352330	PFAPIIFFYFWOJI-INIZCTEOSA-N	300.450	3.307	10	20	DGCD	
Cc1nnc(CCNCc2cc(Cl)cc(Cl)c2O)s1	289679712	CKETWXMFUARPFY-UHFFFAOYSA-N	318.229	3.191	10	20	DGCD	
CC[C@H](N[C@H]1COC[C@@H]1C)c1cc(Br)ccc1O	699863969	KNKSUZIHAIFGSD-XDTLVQLUSA-N	314.223	3.230	10	20	DGCD	
Oc1ccc(Br)cc1CN[C@@H]1C[C@H]1C(F)(F)F	865753387	LMSWSUGAJBAAAY-RKDXNWHRSA-N	310.113	3.195	10	20	DGCD	
COc1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)c(O)c1	54683030	RRSMONZHNLBBGF-OAHLLOKOSA-N	318.760	3.251	10	20	DGCD	
COC(=O)C[C@H]1CCCN1Cc1cc(C(C)C)c(C)cc1O	178775494	LPRJSVRXGARMPO-OAHLLOKOSA-N	305.418	3.352	10	20	DGCD	
CN(C)c1ccc(CNCCC(=O)Nc2ccccc2)cc1F	113346461	IEWTYJORBIUXLB-UHFFFAOYSA-N	315.392	3.010	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCSC[C@@H]2C)cc1	172357412	GXZZLNJCNWONPL-AWEZNQCLSA-N	321.490	3.180	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCCCc2ccccc2)cc1	31726758	XAONBTYKUQEUGL-UHFFFAOYSA-N	311.429	3.185	10	20	DGCD	
Cc1cnccc1CNC(=O)c1cc(C)n(-c2ccccn2)c1C	188857452	JORAAEJZJBZMRT-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
C[C@@H](NC[C@H]1COc2ccccc2O1)c1ccc(N(C)C)cc1	319751309	UPTCBLVBCWTYEY-PBHICJAKSA-N	312.413	3.243	10	20	DGCD	
Cc1cccc(CN2CCN([C@@H](C)c3nccs3)CC2)c1O	185611323	VFCYXUYDMBNNNV-AWEZNQCLSA-N	317.458	3.036	10	20	DGCD	
Cc1cc(O)c(CNCCc2nn(C)c3ccccc23)cc1C	187390923	DMTJPVLPDJSDLJ-UHFFFAOYSA-N	309.413	3.228	10	20	DGCD	
CC(C)(C)C[C@H](O)CNCc1cccc(Br)c1O	227372434	BYJXEYRZLRAUBP-NSHDSACASA-N	316.239	3.041	10	20	DGCD	
CCCNC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1	144117719	AHOPTNFWLJHIPQ-UHFFFAOYSA-N	312.413	3.228	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cc1	268850631	PMZQNXPOMUJZMW-VOBQZIQPSA-N	310.441	3.452	10	20	DGCD	
Oc1ccccc1CN(C[C@@H]1CCSC1)C[C@@H]1CCCO1	278392290	AIXXADAQSIIVRB-HOCLYGCPSA-N	307.459	3.126	10	20	DGCD	
C[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1O	276997207	YRAWUODMFQJFGU-RNCFNFMXSA-N	307.344	3.132	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCO[C@@H](C)C2)cc1	271321005	YRPOXUKYSRUIMB-DOTOQJQBSA-N	312.413	3.391	10	20	DGCD	
CC[C@H](C)[C@@H](NCc1ccc(N(CC)CC)c(F)c1)C(=O)O	277242785	JHKXRRXNCYETOB-BLLLJJGKSA-N	310.413	3.261	10	20	DGCD	
C[C@@H](NCC1([S@](C)=O)CC1)c1cc(Cl)c(Cl)cc1O	282464062	VTNMDWSXHBWEAS-YLVJLNSGSA-N	322.257	3.261	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)c1	800519784	VNNNTAZDOCPPBC-GHMZBOCLSA-N	313.344	3.404	10	20	DGCD	
CN1CCC([C@@H]2CCN(Cc3ccc(N(C)C)c(F)c3)C2)CC1	809755583	LUDAATLAWSKXET-QGZVFWFLSA-N	319.468	3.055	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)NC(C)(C)C	801599238	GPQQOWIUVPNLKG-CQSZACIVSA-N	306.450	3.298	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@H](C[C@H]2CCOC2)C1	809758537	PJIYNRGKYJAHJC-HUUCEWRRSA-N	305.418	3.039	10	20	DGCD	
CCC/C(C)=C/C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819583108	SUUDJUQJZWHKAK-STTHAQSSSA-N	316.445	3.384	10	20	DGCD	
CON1CCC(N[C@@H](C)c2ccc3ccccc3c2O)CC1	817587511	GEDQHTOZMFFTPC-ZDUSSCGKSA-N	300.402	3.222	10	20	DGCD	
CN1CCN(c2ccc(CNCCC(C)(C)C3CC3)cc2)CC1	815163506	OUGHMCFXUVBPBV-UHFFFAOYSA-N	315.505	3.354	10	20	DGCD	
CO[C@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1	818536576	NUJMZMYWZADUSD-GOSISDBHSA-N	312.413	3.249	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ccc2c(c1)oc(=O)n2C	816565322	KZICSPHNWUJFRB-UHFFFAOYSA-N	324.380	3.093	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cccnc1Cl	817941941	LUNGQRWIAAOAGU-WBMJQRKESA-N	318.852	3.152	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NC[C@H](N)C(C)C)c1O	817958757	MHATWOARCQPWCF-GWCFXTLKSA-N	315.255	3.097	10	20	DGCD	
O=C1NCc2c(NCc3cc(Cl)c(F)cc3O)cccc21	816609398	AMBKHDVXIGTULL-UHFFFAOYSA-N	306.724	3.040	10	20	DGCD	
Cc1csc([C@@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)n1	824669845	RCAQAOGQLRYILF-NSHDSACASA-N	321.421	3.077	10	20	DGCD	
COCC1(CN[C@@H](C)c2cc(C(=O)OC)ccc2O)CCCC1	834905087	FICVSZGXWLGBOG-ZDUSSCGKSA-N	321.417	3.036	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](O)C(C)(C)C	735836908	NPVMZBHNZFGDDM-KRWDZBQOSA-N	318.461	3.042	10	20	DGCD	
C[C@H](N[C@H](CO)CCF)c1ccc(N2CCCCCC2)cc1	846207983	DIJNNGDRLVECFA-RDJZCZTQSA-N	308.441	3.438	10	20	DGCD	
COC(=O)C1(c2csc(-c3ccc(N(C)C)cc3)n2)CC1	846760026	ZGGSMFAWWACLAS-UHFFFAOYSA-N	302.399	3.081	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCSC1	742778688	RIIHHRREWASHJE-LBPRGKRZSA-N	306.456	3.391	10	20	DGCD	
CCc1ccc(CC(=O)NCc2ccc(N(C)C)cc2C)cc1	741567721	UIRQAQXAKQVVHW-UHFFFAOYSA-N	310.441	3.482	10	20	DGCD	
COc1ccc([C@H](O)CN[C@H](C)c2ccc(Cl)cc2O)cc1	841744508	OWYOKULIBXVCEK-PIGZYNQJSA-N	321.804	3.438	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCCCN2C(C)C)c1	756763122	YZRYWCLGIPQEHA-GJZGRUSLSA-N	306.450	3.314	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)c1	858305211	SJLMZIRLHLUTOP-YQVWRLOYSA-N	322.408	3.086	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1(C)C	759209644	OYHHNDJEZMFDTC-CQSZACIVSA-N	303.450	3.330	10	20	DGCD	
CC(C)Oc1ccc(NC(=S)NCc2ncccc2F)cc1	752766664	OXEXEFFSFOOPQT-UHFFFAOYSA-N	319.405	3.495	10	20	DGCD	
COC[C@H](N[C@@H]1CCc2cccc(O)c21)c1cccc(OC)c1	850512786	BACIKKPNOQVUCH-SJORKVTESA-N	313.397	3.365	10	20	DGCD	
CC1(C)CC(NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	852921967	PIWDDBBLOMIPRD-UHFFFAOYSA-N	315.442	3.235	10	20	DGCD	
CSCCCN1C(=O)/C(=C\c2ccc(C)cn2)SC1=S	761784949	GHAOHGLVTNKKJS-XYOKQWHBSA-N	324.496	3.344	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2oc3c(c2C)C(=O)CCC3)c1	862759171	AIUFWURKBILAKH-UHFFFAOYSA-N	313.353	3.051	10	20	DGCD	
COc1cc(Cl)cc(CNCc2cc(C)ccc2O)c1O	862476252	NNTYXWKKJHCDQQ-UHFFFAOYSA-N	307.777	3.358	10	20	DGCD	
C[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccc(N(C)C)cc1	766435915	CPSSGRNPTBGDQX-OAHLLOKOSA-N	317.477	3.194	10	20	DGCD	
CC[C@@H](N[C@H]1CC(=O)N(C(C)C)C1)c1cc(Cl)ccc1O	775524532	BKJSYWLGYAPUNR-GXTWGEPZSA-N	310.825	3.096	10	20	DGCD	
CC[C@@H](NC1(COC)CC1)c1cc(Br)ccc1O	775541064	UHQINZXQZKTLLQ-GFCCVEGCSA-N	314.223	3.374	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCC2)c1ccccc1O	1119154322	JYYNWKKVBDUZRM-CYBMUJFWSA-N	310.397	3.441	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc(N2CCN(C)CC2)cc1	876837360	DJEQLVUJUJWYBE-UHFFFAOYSA-N	311.429	3.065	10	20	DGCD	
CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(F)c1O	778523595	BMHANCUCZUSBFF-HNNXBMFYSA-N	306.381	3.075	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(Cl)c1O	775645975	CWSKQGOYZXDAML-UHFFFAOYSA-N	318.804	3.384	10	20	DGCD	
COC(=O)[C@@H]1CCCCCN1Cc1cc(Cl)cc(F)c1O	781527331	MKXHLSMIGNLGOK-ZDUSSCGKSA-N	315.772	3.102	10	20	DGCD	
COc1cc(C)cc(CNC(C)(C)[C@@H](O)c2ccccc2)c1O	895660973	BFDMHMCYMSIIJY-SFHVURJKSA-N	315.413	3.311	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)c1ccccc1	792945363	AGZHIAFLOSIYHH-MRXNPFEDSA-N	314.385	3.351	10	20	DGCD	
CC[C@@H](NC[C@]1(O)CCc2ccccc21)c1ccc(F)cc1O	796841341	SDYRSYRVOVXJRB-IEBWSBKVSA-N	315.388	3.406	10	20	DGCD	
CC(C)N(Cc1cccs1)C(=O)NCc1ccc(N)cc1	1335738084	WBFRVBYPHFWZAB-UHFFFAOYSA-N	303.431	3.451	10	20	DGCD	
O=C(O)c1ccc2c(c1)CN(Cc1c(O)ccc(Cl)c1F)C2	1602421410	GDTCMIKIKHPJTM-UHFFFAOYSA-N	321.735	3.399	10	20	DGCD	
CCN(C)c1ccc(CN[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)O)c(C)c1	1776856480	UQCGMUSIIVLLPZ-JFTQMJAMSA-N	316.445	3.040	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2c(Br)cnn2C)c(O)c1	693433323	ZGAUINNGQIIQSB-SNVBAGLBSA-N	324.222	3.047	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN[C@@H]1CCCC12OCCO2	715596912	AQHPDZAVWWJEMC-GOSISDBHSA-N	316.445	3.062	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C)s2)c1	103510478	CCIAHXSOZAVGCA-NSHDSACASA-N	320.414	3.331	10	20	DGCD	
CCCOc1ccc(CNC(=O)CSc2nccs2)cc1	55410690	DATJLOGTWHJIOJ-UHFFFAOYSA-N	322.455	3.340	10	20	DGCD	
Cc1ocnc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	108295979	MNUJWLLHYNTJGW-UHFFFAOYSA-N	313.401	3.149	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)cn1C	53662268	OZFRIHAJHGILKC-UHFFFAOYSA-N	319.836	3.407	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1c[nH]c2ccccc12	115280442	GBUHQKWOICWTBM-UHFFFAOYSA-N	321.424	3.401	10	20	DGCD	
Cc1cccc(C(=O)NCCCSc2nccs2)c1O	127061523	RPFQMVRLDCGPJA-UHFFFAOYSA-N	308.428	3.069	10	20	DGCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1cccc(OC(F)F)c1	186940789	HZSGBTQQHPETQL-VIFPVBQESA-N	323.295	3.190	10	20	DGCD	
C[C@H]1CCC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1	31731399	RRSKXKFLGWKHER-WMLDXEAASA-N	303.450	3.473	10	20	DGCD	
COc1ccccc1NC[C@@H](O)COc1ccc(C)cc1C	32186303	QLJBKZSNBJGDMM-OAHLLOKOSA-N	301.386	3.164	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)c1	74747852	MTDSIAKGNKEBHK-JTQLQIEISA-N	303.318	3.186	10	20	DGCD	
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(O)c1O	184770664	CZWWVKLFGJXTTH-UHFFFAOYSA-N	313.231	3.249	10	20	DGCD	
C[C@@H]1CCC[C@@]1(C)C(=O)N1CCOc2cc(N(C)C)ccc21	410533574	JTOZOGCYDJPVFD-FZKQIMNGSA-N	302.418	3.304	10	20	DGCD	
C[C@@H]1CCc2c(C(=O)NCCc3ccc(N)cc3)csc2C1	237437483	BGHPGGZFPDZRLT-GFCCVEGCSA-N	314.454	3.428	10	20	DGCD	
Fc1cc(CN2CCC3(CCCC3)C2)ccc1N1CCOCC1	93336614	PLCUZZHSIFRSLM-UHFFFAOYSA-N	318.436	3.428	10	20	DGCD	
Nc1ccc(CCNC(=O)C[C@H]2CCc3ccccc3C2)cc1	262570707	CXXXXFUPHPIZIN-INIZCTEOSA-N	308.425	3.123	10	20	DGCD	
COCCCOc1ccc(CNCc2cc(C)ccc2O)cc1	285368472	AVIQYYBMRWKSDV-UHFFFAOYSA-N	315.413	3.406	10	20	DGCD	
CN(Cc1ccccc1O)C[C@H](O)Cc1cccc(Cl)c1	287750728	LRDAEMVLKRKVPV-MRXNPFEDSA-N	305.805	3.081	10	20	DGCD	
c1ccc(-n2nncc2COc2ccc(N3CCCC3)cc2)cc1	808260825	WILABTRSLAEOJX-UHFFFAOYSA-N	320.396	3.447	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F	807139267	AVONNNLMCMUHRE-ZJUUUORDSA-N	303.328	3.064	10	20	DGCD	
C[C@@H](NCCN(C)C)c1cc(Br)cc(Cl)c1O	806171492	LDFQTOKYPMAUDJ-MRVPVSSYSA-N	321.646	3.020	10	20	DGCD	
Oc1cc2c(cc1CNC[C@@H]1CCCCC(F)(F)C1)OCO2	291669243	GCOFHDZXGFPMAO-LLVKDONJSA-N	313.344	3.426	10	20	DGCD	
CCOCCN(CC)Cc1ccc(N2CCC(OC)CC2)cc1	299337286	KZEWJANICYLTTD-UHFFFAOYSA-N	320.477	3.160	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@@H]2CCc3cc(F)ccc32)cc1	817938968	WNRRDMUONLWSPB-RBUKOAKNSA-N	313.420	3.169	10	20	DGCD	
COC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	812881977	IPUSUDXFZRNCPS-HZPDHXFCSA-N	320.477	3.408	10	20	DGCD	
COC[C@@H](CC(C)C)NC[C@H]1CCN(c2ccc(OC)cc2)C1	818345243	SKNWILWCOVQIEH-IAGOWNOFSA-N	320.477	3.172	10	20	DGCD	
C[C@H](NCC[C@@H]1CCNC1)c1cccc(C(F)(F)F)c1O	817954827	KVMUXBJIKFOINV-QWRGUYRKSA-N	302.340	3.061	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCCCC(=O)C2)c1	813489250	UCNVTBKZULUWMO-OLZOCXBDSA-N	319.401	3.118	10	20	DGCD	
CN(CCCNC(=S)Nc1cccc(O)c1)c1ccccc1	726433206	BKDUORDWSJNUFG-UHFFFAOYSA-N	315.442	3.205	10	20	DGCD	
CC/C(C)=C\C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	822786213	NHJOKWINKBESGV-PLFFATQSSA-N	302.418	3.057	10	20	DGCD	
Cc1ccc(O)c(CNc2c(Br)c(C)nn2C)c1	902230664	JXTHEECWKPDYGG-UHFFFAOYSA-N	310.195	3.117	10	20	DGCD	
Cc1cc(C)cc(NNC(=S)Nc2ccc3c(c2)OCO3)c1	735234674	JOOFKJPTLIASEW-UHFFFAOYSA-N	315.398	3.346	10	20	DGCD	
Cc1cc(Br)cc(CN2CC(C(F)F)C2)c1O	839141636	UPJPWJXNTSSTNA-UHFFFAOYSA-N	306.150	3.160	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2c(c1)CCOC2)c1ccc(N(C)C)cc1	832436877	SARYIHGJESMUJW-CQSZACIVSA-N	324.424	3.316	10	20	DGCD	
CCC[C@H](C)C[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	904003554	JKJYBSYOKQCOFK-ZANVPECISA-N	301.333	3.040	10	20	DGCD	
C[C@H](NC(=O)[C@@H](C)C1CCC1)c1ccc(N2CCOCC2)cc1	837367902	LFGSPXLYKIYNQB-GJZGRUSLSA-N	316.445	3.137	10	20	DGCD	
CC(C)(C)OC(=O)CCCCN[C@@H]1CCc2cccc(O)c21	834698335	YBMTYPXPZVTAGM-CQSZACIVSA-N	305.418	3.481	10	20	DGCD	
COCC1CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1	911964788	GWWWHBZYSHEECM-UHFFFAOYSA-N	312.413	3.121	10	20	DGCD	
CC[C@@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O	846204990	DLAOZFHNUAIMKF-IAQYHMDHSA-N	322.836	3.097	10	20	DGCD	
CCOc1cccc(CNCc2cccc3c2CCCN3)c1O	841084340	XXASYXBOHDNDDA-UHFFFAOYSA-N	312.413	3.439	10	20	DGCD	
C[C@@H](CC(F)(F)F)NC(=O)NCc1cc(Cl)ccc1O	846713087	DIZPLNJSYINISU-ZETCQYMHSA-N	310.703	3.186	10	20	DGCD	
C[C@H](C1CCCCC1)N(C)C(=O)NCCc1ccc(N)cc1	841957463	BNWSPMAGAKXKDH-CQSZACIVSA-N	303.450	3.422	10	20	DGCD	
COc1cc(CNCCc2ccc(N)cc2)ccc1OC(C)C	841037775	XGJBJIKULQWLDD-UHFFFAOYSA-N	314.429	3.397	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2ccoc2Cl)cc1	844854744	DSLIGLFCEOOVDK-UHFFFAOYSA-N	322.792	3.150	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cc3ccccc3o2)cc1	841043946	RQJSAQXTBANUKZ-SFHVURJKSA-N	309.413	3.288	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H]2CCN(C(C)C)C2)cc1F	740004806	WRUKIZKUDDLTKO-KRWDZBQOSA-N	321.484	3.492	10	20	DGCD	
CN(CC1CCC(F)(F)CC1)c1ccc(OCC(=O)O)cc1	846280498	YKWUWJUIIMOZTN-UHFFFAOYSA-N	313.344	3.412	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCCO[C@H]1CCCCO1	922234523	YKALLIJUJSWYDJ-AWEZNQCLSA-N	317.788	3.208	10	20	DGCD	
CC(=O)NCc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1	757606148	YQPUKEUIOGVBMW-NSHDSACASA-N	302.349	3.341	10	20	DGCD	
C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1cc2c(cc1O)OCO2	751605003	NTJJEGMGRFCIRP-CJNGLKHVSA-N	311.381	3.499	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)c(O)c1O	855636169	IRODPXFCICWXHD-CQSZACIVSA-N	303.402	3.449	10	20	DGCD	
C[C@@H](NCCOC[C@H]1CCOC1)c1ccc2ccccc2c1O	756562080	FTZAGCLPUXMWPZ-CABCVRRESA-N	315.413	3.249	10	20	DGCD	
COc1ccnc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c1	924862638	QWYJRDQAJCGKLM-LBPRGKRZSA-N	303.381	3.146	10	20	DGCD	
COc1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1F	857547756	SEHPLDXLZOVNNS-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
COc1cccc([C@H](C)NCC2(O)CCC(C)(C)CC2)c1O	850551396	HRYXKKKVYQJRTH-ZDUSSCGKSA-N	307.434	3.383	10	20	DGCD	
CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cc(Br)cc(F)c1O	850569739	AKTMIAGCRCSJMT-CQOUMUIBSA-N	318.186	3.122	10	20	DGCD	
CCC1CCC(N(CCO)Cc2cc(OC)ccc2O)CC1	754153498	JEWUDEFBDNDDNJ-UHFFFAOYSA-N	307.434	3.164	10	20	DGCD	
NC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F	863646019	FTUBLRIYCZKJLP-PWSUYJOCSA-N	322.758	3.005	10	20	DGCD	
CCN(CC)c1ccc(CN2CCOCC23CCC3)cc1F	769451402	MDGMGWJWMMNXEG-UHFFFAOYSA-N	306.425	3.427	10	20	DGCD	
COC(=O)c1occc1CN1CCCCc2cc(OC)ccc21	766267291	AYHGQKNPMNATIO-UHFFFAOYSA-N	315.369	3.418	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CC(C2CC2)C2CC2)c1	1115990062	OOBHDVYLOCFJMZ-NSHDSACASA-N	303.402	3.404	10	20	DGCD	
CC[C@@H](NCCOC[C@@H]1CCOC1)c1cc(Cl)ccc1O	775504477	YJXOQAUKSBBOSM-IUODEOHRSA-N	313.825	3.139	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCO[C@H](c2ccco2)C1	775734418	OWMCBBBRDVZHRK-AWEZNQCLSA-N	311.740	3.351	10	20	DGCD	
CC[C@@H](N[C@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1O	775513251	OXYMZPRANKHPLS-GXTWGEPZSA-N	305.809	3.367	10	20	DGCD	
COc1cccc([C@@H](CNCc2cc(F)cc(F)c2O)OC)c1	883184656	BNLOWNGTAGFKBS-MRXNPFEDSA-N	323.339	3.156	10	20	DGCD	
CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(O)c1O	776347261	AGBFWNDORVVNDK-HNNXBMFYSA-N	317.360	3.234	10	20	DGCD	
COc1cc([C@@H](C)NCc2ccc3c(c2)CCCN3C)ccn1	788585882	XGRVHMDHFSSYOC-CQSZACIVSA-N	311.429	3.323	10	20	DGCD	
CSC1(C(=O)NCCCSc2nccs2)CCC1	787349506	NEKGIWMIGVMZOZ-UHFFFAOYSA-N	302.490	3.027	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCN(c2cccs2)CC1	894058060	QPOQYIYKNXKBBV-UHFFFAOYSA-N	310.369	3.054	10	20	DGCD	
O=C(NCCCSc1nccs1)c1ccnc(C2CC2)c1	783577651	WGWDJKAGEHCWJF-UHFFFAOYSA-N	319.455	3.328	10	20	DGCD	
COc1ccc(CNCc2c(C)nn(C(C)C)c2C)c(O)c1	894186388	VSMFZLYGWONFED-UHFFFAOYSA-N	303.406	3.085	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC(F)(F)C1	794928656	YRBBDINLOCTGHT-AWEZNQCLSA-N	308.372	3.338	10	20	DGCD	
CCOc1ccc(O)c(CN(CCOC)[C@H]2CC[C@@H](C)C2)c1	792193717	YXNQRLQVCUCZRG-ZBFHGGJFSA-N	307.434	3.428	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@H]1CCN1Cc1ccccc1	708435962	HJLPMZXYLRGHAW-MRXNPFEDSA-N	318.367	3.035	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCC1CCC2(CC1)OCCO2	795932314	CJWKZOYYDFNTDX-UHFFFAOYSA-N	318.461	3.084	10	20	DGCD	
COc1ccc(CNCCCNC(=O)CCC(C)C)cc1C	1154460585	YTESUSDGBDEKSS-UHFFFAOYSA-N	306.450	3.036	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2CO)cc1	1322613475	GPZCXLXTQIKYAO-SFHVURJKSA-N	312.413	3.081	10	20	DGCD	
CSC1CCC(CNC(=O)NCCc2ccc(N)cc2)CC1	1338626633	MFJQCUKCHOFTAM-UHFFFAOYSA-N	321.490	3.032	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCCCN2)cc1	1332507802	UTEJEYHKBOHWGA-SFHVURJKSA-N	317.477	3.023	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCNc3ccccc32)cc1	1263093198	SECUBKHNBWDONM-INIZCTEOSA-N	323.440	3.358	10	20	DGCD	
Cc1ccccc1NC(=O)CCSc1ncc(C(=O)O)s1	1607885489	PDZGSMAYTYXBCX-UHFFFAOYSA-N	322.411	3.271	10	20	DGCD	
C[C@@H](NCc1ccccc1CC(=O)O)c1cc(F)ccc1O	1604346533	JOMKLVYMHRJGCN-LLVKDONJSA-N	303.333	3.009	10	20	DGCD	
Cc1c(NC(=O)NCc2ccc(N)cc2)cnn1-c1ccccc1	1579542583	ZGWRJIXXLHBQNV-UHFFFAOYSA-N	321.384	3.085	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ncccc2CN)cc1	1579673929	IJOOHMXYHSFDFJ-UHFFFAOYSA-N	320.396	3.200	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H](C)c2nccs2)c1O	230935865	MGACHUNJQJBBDD-SECBINFHSA-N	312.822	3.404	10	20	DGCD	
CCN1CCCc2cc(CNC[C@@H](C)CCC(=O)O)ccc21	1776876152	YIQJTNJKFHYTDB-AWEZNQCLSA-N	304.434	3.050	10	20	DGCD	
CCN(C)c1ccc(CNC[C@@H](CC2CC2)C(=O)O)c(C)c1	1776856354	OBPHZADPBDVGEI-MRXNPFEDSA-N	304.434	3.042	10	20	DGCD	
COc1ccc(OCCSc2nccs2)c([N+](=O)[O-])c1	150918884	CTCJMCXBVGOJQM-UHFFFAOYSA-N	312.372	3.231	10	20	DGCD	
C[C@](O)(CNCc1c(O)cccc1Cl)c1ccc(F)cc1	157813913	GBUYODSDLAIBOB-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C=CCCC1	157980401	VMXFCLUJMNRUHC-MRXNPFEDSA-N	301.434	3.393	10	20	DGCD	
CC[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H](C)O1	707140243	OONJAKYWLBGTQH-WDEREUQCSA-N	314.223	3.154	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C(C)(C)c2ccccc2C)c1	178374948	DNWAWJVMEMQHCF-UHFFFAOYSA-N	313.397	3.303	10	20	DGCD	
CCCCOCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	119632874	HXOIDFPEBHDZHM-HNNXBMFYSA-N	324.440	3.130	10	20	DGCD	
CC[C@@H](NCCCOC)c1cc(Br)ccc1O	20142517	FYEKROIHRYDJGM-GFCCVEGCSA-N	302.212	3.232	10	20	DGCD	
Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccccc3O)C2=O)cc1	179875688	UMNDPUDODBTSCB-WMLDXEAASA-N	310.397	3.157	10	20	DGCD	
CC(C)OCCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	178191977	KPHKJHPDJCYZEE-HNNXBMFYSA-N	324.440	3.128	10	20	DGCD	
C[C@H](CNC(=O)N(C)Cc1ccccc1O)Oc1ccccc1	73221696	QIDANALPHMDNBE-CQSZACIVSA-N	314.385	3.001	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1C	128346054	YGHCBCRHEIGYCY-HZPDHXFCSA-N	313.445	3.250	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccccc2O)CCN1C(=O)OC(C)(C)C	219453035	VGUDSNVLLNDVRW-HIFRSBDPSA-N	320.433	3.270	10	20	DGCD	
Cc1cc2c(NCc3ccc(N4CCCC4)cc3)nccn2n1	185752263	XDJVEISCDRQJQM-UHFFFAOYSA-N	307.401	3.250	10	20	DGCD	
Cc1sc2ncnc(NCCc3ccc(O)c(O)c3)c2c1C	78715624	GQRXFXYUTJQMRA-UHFFFAOYSA-N	315.398	3.374	10	20	DGCD	
CSCCCCCCNC(=O)NCc1ccc(N(C)C)cc1	182369645	DOAIOSUBHAMEMQ-UHFFFAOYSA-N	323.506	3.475	10	20	DGCD	
COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(N)cc1	321515593	NJEXKMLBPFVUES-CYBMUJFWSA-N	313.401	3.372	10	20	DGCD	
CO[C@@H]1CCC[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1	279669101	HLOPVKRXWMBZEU-DZGCQCFKSA-N	322.424	3.103	10	20	DGCD	
C[C@H](NC[C@]1(CO)C[C@@H]1c1ccccc1)c1cc(F)ccc1O	289846537	QEWVNDGLWGECRD-IRWQIABSSA-N	315.388	3.348	10	20	DGCD	
COc1cccc(CNC[C@@]2(C)OCCc3sccc32)c1O	289972029	YYOFOVFJNIILCV-QGZVFWFLSA-N	319.426	3.040	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCOC[C@H]2CCOC2)c1O	808695531	OANOFMCZKVWLBA-OLZOCXBDSA-N	313.825	3.058	10	20	DGCD	
Cc1nc(C2(NCc3ccc(N(C)C)c(C)c3)CCCC2)no1	292902466	WCWZKVIVDWRHGU-UHFFFAOYSA-N	314.433	3.312	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1ccc(OCC3CC3)nc1)CC2	297958186	ZDNPQASEVGXUJH-MRXNPFEDSA-N	310.397	3.353	10	20	DGCD	
CN(C)[C@@H](CN[C@H]1CCc2cccc(O)c21)c1cccc(F)c1	295883039	HUWAXRVTNDZLGR-IRXDYDNUSA-N	314.404	3.411	10	20	DGCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)C1=CCCCC1	295197878	MMHGIDUNGCNBEJ-UHFFFAOYSA-N	311.403	3.379	10	20	DGCD	
CCc1nnc(CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)s1	391877721	RUCJBTUSCRPERW-WDEREUQCSA-N	303.431	3.453	10	20	DGCD	
OC[C@@H](Cc1ccccc1)NCc1ccc2ccccc2c1O	816571356	ATNOSMZIROJNPA-GOSISDBHSA-N	307.393	3.239	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1C)c1cccc(C(F)(F)F)c1O	815565880	CLCKPBDKPBIRTR-GHMZBOCLSA-N	302.340	3.156	10	20	DGCD	
COC(=O)c1csc([C@H](C)NCCc2ccc(N)cc2)c1	817957411	MBRGWCFFENXPFY-NSHDSACASA-N	304.415	3.010	10	20	DGCD	
Cc1cccc(CN[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1O	825111365	MWUVMARTYLILNV-HUUCEWRRSA-N	324.424	3.157	10	20	DGCD	
CC[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1	727940143	YQZAEZAYUUDABM-MRXNPFEDSA-N	301.434	3.371	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)C1(C2CCCCC2)CC1	907057535	PDMKTYUOXSOHGD-UHFFFAOYSA-N	303.402	3.117	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1	824838637	QOXJVDAJZJSKOR-HBJVGIJOSA-N	312.196	3.084	10	20	DGCD	
CN(C)c1ccc(CN(C)S(=O)(=O)CCC2CCCC2)cc1	829768463	VYTLSXUJXOALIT-UHFFFAOYSA-N	324.490	3.095	10	20	DGCD	
CO[C@@](C)(C1CC1)[C@H](C)NCc1cc(F)cc(C(C)=O)c1O	839641607	WRYLGORCBXYRMB-APPDUMDISA-N	309.381	3.027	10	20	DGCD	
Cc1cc(CN2C[C@H](C)[C@@H](C(=O)O)C2)c(O)c(C(C)(C)C)c1	832882526	KABYNORWQPVXBG-JSGCOSHPSA-N	305.418	3.151	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](F)C(F)(F)F	839922240	SJTGRBODORAACP-GWCFXTLKSA-N	320.330	3.009	10	20	DGCD	
CCN(CC)[C@H](CNC(=O)c1cc(O)cs1)c1ccsc1	731869246	DMRBIJGFRBPTIZ-CYBMUJFWSA-N	324.471	3.328	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCc3ccccc32)c1	734016427	QAJFKXAANIKATP-KRWDZBQOSA-N	311.381	3.137	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)[C@@H](C(=O)O)c1ccccc1	833694154	BQYONMASPAVBAN-OAHLLOKOSA-N	305.761	3.303	10	20	DGCD	
CN(C[C@@H]1CC2(CC2)C(=O)O1)c1ccc(-c2nccs2)cc1	846992452	JWZNCGQDCNVWEY-AWEZNQCLSA-N	314.410	3.342	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@H]2CO[C@@H](C)C2)c1O	842930714	ZOBZFXQAQMPVIH-JBLDHEPKSA-N	314.223	3.291	10	20	DGCD	
CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(CC)c2O)C1	848884652	JCPWEKHDXGKBEJ-QGZVFWFLSA-N	318.461	3.083	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1	841836441	OZVXQYBLRLJHRJ-IAGOWNOFSA-N	301.434	3.079	10	20	DGCD	
c1cc(OCC2CC2)ncc1CNCc1ccc2c(c1)CCCO2	921631781	LIAXMFQOBWBIBQ-UHFFFAOYSA-N	324.424	3.485	10	20	DGCD	
COc1ccc2c(c1)OC[C@H](N[C@H](C)c1cc(C)ccc1O)C2	756774967	MYWPOXDSPDBRFV-UKRRQHHQSA-N	313.397	3.364	10	20	DGCD	
CC(C)[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)N1CCCC1	756397923	ANYLJJXAMUZNDC-CJNGLKHVSA-N	321.421	3.071	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)c1	858248185	UADQWZCMCUTUKU-MJGOQNOKSA-N	310.397	3.230	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C)[C@@H](CO)C2)cc1F	857061897	WIQPMBMSOPGPBK-GOEBONIOSA-N	308.441	3.122	10	20	DGCD	
COC(=O)c1cnc(SCCC2SCCS2)s1	853020504	GFBATXTZFMVZAK-UHFFFAOYSA-N	307.487	3.218	10	20	DGCD	
CN(Cc1ccccc1O)Cc1ccc(F)c(F)c1N(C)C	862228755	WXDFXBKWTVRIFW-UHFFFAOYSA-N	306.356	3.368	10	20	DGCD	
CN(CCc1ccncc1)Cc1cc(F)c(N(C)C)cc1F	862324428	MFSQDUOUPAFURW-UHFFFAOYSA-N	305.372	3.100	10	20	DGCD	
CN(Cc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)OCO2	769765147	NRSRDUZTNCVZLS-UHFFFAOYSA-N	310.275	3.466	10	20	DGCD	
CC(C)c1nocc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	860950934	VVCKAVMSJAFIGC-LBPRGKRZSA-N	301.390	3.355	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](CCO)C(F)(F)F	1119376002	KOKDQJGUHRCBOM-JFGNBEQYSA-N	303.324	3.152	10	20	DGCD	
COc1cc(Cl)cc(CNCc2ccnc(SC)c2)c1O	761215829	JEEASWCRFGCYAD-UHFFFAOYSA-N	324.833	3.461	10	20	DGCD	
CCc1nc(CN(C)Cc2cc(OC)c(C)cc2O)cs1	768442135	JIPURXFYRGOIRB-UHFFFAOYSA-N	306.431	3.360	10	20	DGCD	
CCN(CC)C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775723348	FQXGJQXNTHDTDU-LBPRGKRZSA-N	314.832	3.348	10	20	DGCD	
Cc1cccc(O)c1CN(C)Cc1nccn1CC(F)(F)F	876685334	OZWNBWQCDBYUIE-UHFFFAOYSA-N	313.323	3.091	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(Cl)c2O)c1	775780874	UYMZEHXVJDYNKN-SECBINFHSA-N	321.760	3.251	10	20	DGCD	
COc1ccc(N2CCN([C@H](C)c3ncc(C)o3)CC2)cc1F	771447904	OUDGWIGETHMFLM-CYBMUJFWSA-N	319.380	3.014	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN[C@H]1CCn2ccnc2C1	778188745	INGMDFADSUHGQH-SFHVURJKSA-N	319.408	3.360	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CCCSC1)c1ccc(N(C)C)cc1	773627569	OZPGDCYQLYBPJD-OCCSQVGLSA-N	307.463	3.008	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1ccccn1)c1ccc(N(C)C)cc1	776237806	ISQLPCXCPWFEMY-AWEZNQCLSA-N	312.417	3.050	10	20	DGCD	
CCCCn1cc(CNCc2ccc(OCC)cc2O)c(C)n1	773410783	WECSPKQUZSWRHA-UHFFFAOYSA-N	317.433	3.386	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2conc2C)cc1	888750606	BHSZNAMMJKIJME-UHFFFAOYSA-N	302.378	3.151	10	20	DGCD	
CN(Cc1cnnn1C)c1ccc(OCc2ccccc2)cc1	783715137	HNXSANBQZGUXOA-UHFFFAOYSA-N	308.385	3.031	10	20	DGCD	
COc1ccc2c(c1)CCCN2CCOCC(F)(F)C(F)F	787163222	ULLAKHAGZBUIQP-UHFFFAOYSA-N	321.314	3.365	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1OC	893622745	HGJGURMTMRYLHM-GJZGRUSLSA-N	323.433	3.091	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c1O	797541622	HMJILZNEKUFLIQ-IHRRRGAJSA-N	320.433	3.272	10	20	DGCD	
CN1[C@H]2CC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)CC2	245846994	CIPMDPLUFAYVBR-STQMWFEESA-N	315.244	3.368	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1	192680158	HDAINPULHMFXTC-CHWSQXEVSA-N	308.422	3.264	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1OC(F)F	790524861	CUOMGRCRMFPWIB-SECBINFHSA-N	323.295	3.190	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCOc1ncccc1F	1325357713	WMHNUIKLDNEYDF-JSGCOSHPSA-N	316.376	3.452	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)c3ccsc3)CC2)cc1	1324299076	TWFMIIBNZKXISN-UHFFFAOYSA-N	316.426	3.109	10	20	DGCD	
C[C@H](NC/C=C/C1CC1)c1ccc(N2CCOCC2)c(F)c1	1347669230	VPMNSPYDSCEFDZ-HSWBROFVSA-N	304.409	3.279	10	20	DGCD	
CCN1CCN(c2ccc(NCc3ccc(N)cc3)c(C)c2)CC1	1356083511	QPBZIWXHIHQLPH-UHFFFAOYSA-N	324.472	3.331	10	20	DGCD	
C[C@H](NCCc1c[nH]c2ccccc12)c1cc(C(=O)O)ccc1O	1593276198	XYSVYPMSCQVHTP-LBPRGKRZSA-N	324.380	3.465	10	20	DGCD	
COc1ccc(N2CCC(NCCOCCC(C)C)CC2)cc1	119541188	DAEFAVACOPOFGL-UHFFFAOYSA-N	320.477	3.316	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2C)c1	103506190	HZJBEQANPNSTMK-TYNCELHUSA-N	306.406	3.340	10	20	DGCD	
CCc1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1	65105888	QDHPRJHGIAADOR-UHFFFAOYSA-N	303.431	3.044	10	20	DGCD	
C=Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1	185285628	CXTZTBXXUOGMLE-UHFFFAOYSA-N	308.381	3.435	10	20	DGCD	
CCOc1cccc(CNc2ccc(Cn3cncn3)cc2)c1O	121292565	GVZUPELCISJSFA-UHFFFAOYSA-N	324.384	3.043	10	20	DGCD	
COC(=O)c1ccc(CN[C@H](C)c2cc(OC)ccc2O)cc1	182315413	KUKWALXSQLSYIN-GFCCVEGCSA-N	315.369	3.038	10	20	DGCD	
CCCCNC(=O)C1CCN(Cc2cc(C)c(C)cc2O)CC1	42095076	WCTHDDIFUIOTHS-UHFFFAOYSA-N	318.461	3.137	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@]3(CCOC3)C2)cc1F	93820232	DDMWTPOTXPIJDX-GOSISDBHSA-N	306.425	3.284	10	20	DGCD	
CC(C)[C@H](CNCc1ccccc1O)CNC(=O)OC(C)(C)C	230950814	CMCIGFGVXKKAHH-OAHLLOKOSA-N	322.449	3.279	10	20	DGCD	
Cc1ccc(-c2nc(/C=C3\SC(=S)NC3=O)co2)cc1	255119946	JMROUNREERKKMK-WDZFZDKYSA-N	302.380	3.139	10	20	DGCD	
Cc1c(CN[C@@H]2CCCc3nn(C)cc32)n(C)c2ccccc12	358993283	AVDRKSSNYHZLMS-MRXNPFEDSA-N	308.429	3.387	10	20	DGCD	
CCCSc1nsc(NC(=O)NCc2ccccc2O)n1	268565460	FRTLDHOYHHPYLY-UHFFFAOYSA-N	324.431	3.068	10	20	DGCD	
CCCOc1ccc(CCC(=O)NCc2ccccc2O)cc1	266528873	JTFCEKFEASDZAX-UHFFFAOYSA-N	313.397	3.430	10	20	DGCD	
Cc1ccc([C@@H](C)NCCc2cn3c(n2)CCCC3)c(O)c1C	368477330	FQFKSRLZPMPEOX-OAHLLOKOSA-N	313.445	3.435	10	20	DGCD	
COc1ccc(CNCc2nc3cc(C)ccc3n2C)cc1C	274419189	KSBKYYPNWKMAMB-UHFFFAOYSA-N	309.413	3.489	10	20	DGCD	
Cc1c(CNc2ncn(CC(F)(F)F)n2)n(C)c2ccccc12	287631731	ITDCMFWYMQDWRU-UHFFFAOYSA-N	323.322	3.253	10	20	DGCD	
Cc1c(CNc2nnc([C@@H]3CCCO3)o2)n(C)c2ccccc12	287703516	MZHBGYQFWPURAK-HNNXBMFYSA-N	312.373	3.333	10	20	DGCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1F)c1ccc(N(C)C)cc1	809777919	IONCBZAUBQDPJK-SNVBAGLBSA-N	320.339	3.227	10	20	DGCD	
CC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccccc1O	804577678	HRUJFBHBPLJVSK-UHFFFAOYSA-N	300.314	3.139	10	20	DGCD	
CCCOc1ccc(CCC(=O)NCc2ccc(N)cc2)cc1	297197993	MMIXCAKZKCQGMW-UHFFFAOYSA-N	312.413	3.307	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1O	815583038	VNHUGXZMNCUXPU-HOTUBEGUSA-N	323.380	3.174	10	20	DGCD	
CC[C@@H](NC[C@@H](N)C1CC1)c1ccc(Cl)c(Cl)c1O	817964487	AGVVBOARGCIGBL-VXGBXAGGSA-N	303.233	3.477	10	20	DGCD	
CCN(C(=O)c1cc(C)n(-c2cccc(C)c2)c1C)[C@@H](C)CO	818634109	JDGPKNLUFDMFHK-HNNXBMFYSA-N	314.429	3.245	10	20	DGCD	
Cc1cccc2c1OC[C@H](N[C@@H](C)c1ccc(F)cc1O)C2	810259514	KLSOKKBRPXQNFJ-SWLSCSKDSA-N	301.361	3.494	10	20	DGCD	
CCOc1cccc(CNC[C@]2(C)CC2(Cl)Cl)c1O	824765715	OWCNFNOGCPNZGI-ZDUSSCGKSA-N	304.217	3.464	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1	827377152	QRDFGOCOOOXMFI-RDTXWAMCSA-N	305.418	3.182	10	20	DGCD	
CN(C)c1ccc(/C=C/CN2CCC[C@H](CCC(=O)O)C2)cc1	901553528	LPVSYZJUXMKJHH-NJELEJDNSA-N	316.445	3.343	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(F)(F)c1ccccc1	734407338	OGMVIKIZGBLDEH-UHFFFAOYSA-N	318.367	3.469	10	20	DGCD	
Cc1cccc([C@H](NCc2ccc3c(c2)CCCO3)C(=O)O)c1	904264706	OCDFGTFAXWWOIC-SFHVURJKSA-N	311.381	3.236	10	20	DGCD	
C[C@H](NC[C@H](O)C1CCC1)c1cccc(C(F)(F)F)c1O	834906677	RTMNJWGRXZEFAJ-ZANVPECISA-N	303.324	3.223	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@H]1CN1CCCC1	738103936	HVOCOXQWBCMIJY-INIZCTEOSA-N	311.429	3.001	10	20	DGCD	
C[C@@H](NCCC1(CO)CC1)c1ccc(N2CCCCC2)cc1	834895703	CQTKVYDACORLCL-MRXNPFEDSA-N	302.462	3.490	10	20	DGCD	
Cc1nc(CCCC(=O)NCc2cc(Cl)ccc2O)cs1	846475757	IISHHQTURGRTSF-UHFFFAOYSA-N	324.833	3.450	10	20	DGCD	
CCc1nn(C)c(Cl)c1CNCc1cc(Cl)ccc1O	846057184	DFNJXHSNHVTPAA-UHFFFAOYSA-N	314.216	3.285	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@@H](C)c1ccc(Cl)cc1O	841743723	BXVMOUWPITUZFV-LBPRGKRZSA-N	312.841	3.345	10	20	DGCD	
Cc1oc(C(C)C)nc1C(=O)NCc1cc(Cl)ccc1O	846477959	WHJVBJNPBJZIOW-UHFFFAOYSA-N	308.765	3.395	10	20	DGCD	
COc1cc(CN2CC3(CCOCC3)C[C@@H]2C)c(O)cc1C	842637791	FOBDUEVNSHFGAD-AWEZNQCLSA-N	305.418	3.100	10	20	DGCD	
CN(C)c1ccc(CNC2(C)CCNCC2)c(C(F)(F)F)c1	841064765	JBKNTSNMRIPCBG-UHFFFAOYSA-N	315.383	3.003	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1nccs1	757701288	YHVJVTKXBFPCGZ-UWVGGRQHSA-N	307.375	3.211	10	20	DGCD	
Cc1nccn1CCCCNCc1cc(F)c(N(C)C)cc1F	858145490	WEFAFWJMRAFBPZ-UHFFFAOYSA-N	322.403	3.106	10	20	DGCD	
CCC[C@@H](O)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C	863166164	VCCDHGXPFOQWTI-GOSISDBHSA-N	314.429	3.261	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]2C[C@H](C)O)cc1F	769450175	BNBMONLTGRYSIF-HOCLYGCPSA-N	308.441	3.407	10	20	DGCD	
CCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccc(OC)c(C)c1	1036477210	LAZFIZAFCCYHNO-YOEHRIQHSA-N	318.461	3.130	10	20	DGCD	
C[C@H](NC(=O)C[C@@H]1CSCCS1)c1ccc(N(C)C)cc1	773001601	VOCSCLOIEOMCQD-SWLSCSKDSA-N	324.515	3.169	10	20	DGCD	
Cc1ccc(CNc2cc(N3CCNC3=O)ccc2C)c(O)c1	877483682	PEUUGXLPRHMECU-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3CCOC(C)(C)C3)C2)cc1	872079646	JVOMEQFHABNARE-HZPDHXFCSA-N	318.461	3.069	10	20	DGCD	
C[C@H](NC(=O)N[C@H]1CCCSC1)c1ccc(N(C)C)cc1	773627567	OZPGDCYQLYBPJD-JSGCOSHPSA-N	307.463	3.008	10	20	DGCD	
CSC(C)(C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773347421	VNDFAUHZGPCAFU-LBPRGKRZSA-N	309.479	3.254	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3CC=CCC3)cc2)CC1	778661975	VCULJGLEKOMHDT-UHFFFAOYSA-N	313.445	3.394	10	20	DGCD	
Cc1ccc(C)c(C2=NO[C@@H](C(=O)N(C)c3ccc(N)cc3)C2)c1	884442051	VKDVTWBXHHQTQX-GOSISDBHSA-N	323.396	3.042	10	20	DGCD	
COC1CCC(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	781036601	VIYYDVJMNRDWTK-BZOOQXSSSA-N	304.434	3.135	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)C12CCC2	799733217	CHVRINIGLCUYKA-IRXDYDNUSA-N	306.425	3.329	10	20	DGCD	
CC(C)Cc1nnc(NCc2ccc(N3CCCC3)cc2)o1	1319870477	KDSSYJPIJMOEEY-UHFFFAOYSA-N	300.406	3.480	10	20	DGCD	
NC[C@H](NCc1ccc(N2CCCC2)cc1)C1CCCCC1	1261370938	ZFIVEHNTPPNZCB-IBGZPJMESA-N	301.478	3.284	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)[C@H]2CCc3ccccc32)cc1	1777039632	BSIGSLHNALGMPC-RBUKOAKNSA-N	324.424	3.025	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@@H](C(=O)O)C3(CCCC3)C2)cc1	1776855684	XEGDLHWKGWIDCX-KRWDZBQOSA-N	316.445	3.220	10	20	DGCD	
CN(C)c1ccc(CNC2(C(=O)O)CCC(C)(C)CC2)cc1	1777040014	YVLYZYLXZCFEHV-UHFFFAOYSA-N	304.434	3.266	10	20	DGCD	
CN(Cc1ccccc1)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	13189822	STABBELCRUIZJV-CSKARUKUSA-N	312.325	3.329	10	20	DGCD	
Cc1cc(C)cc(NC(=S)NNc2ccc(C(=O)O)cc2)c1	7521976	IADZTRCGQLNIRV-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
CCn1nc(C)c(CNCc2ccc(N(C)C)cc2C)c1C	115629193	QDQBUPJQMCVPHJ-UHFFFAOYSA-N	300.450	3.184	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1F	174536611	SBZWRSJTBCZDBE-XKQJLSEDSA-N	306.425	3.185	10	20	DGCD	
C[C@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(N(C)C)cc1	126257877	RTZOZYXKXMQUMR-ZDUSSCGKSA-N	315.392	3.181	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1	186355034	WZEHTVZGWQUYOY-GLFJAGTFSA-N	317.429	3.399	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1	319788010	MQYJQLLRGOQPQC-RYUDHWBXSA-N	311.385	3.282	10	20	DGCD	
FC(F)Oc1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1	78512987	FVMBANHVFKRFQA-LBPRGKRZSA-N	320.343	3.159	10	20	DGCD	
C[C@@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1O	187828010	QPBFPMJBRLWMGG-VDODNRGGSA-N	309.356	3.279	10	20	DGCD	
O=C([C@H]1CC=CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	71798972	NUZAYUFCUMOLRC-RDJZCZTQSA-N	315.413	3.256	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C[S@](C)=O)c2ccccc2)cc1C	182107673	VVDVMTDZKVEYRT-JTSKRJEESA-N	317.454	3.218	10	20	DGCD	
Cc1cc(F)ccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	190922640	HFXREGQFFJWNGE-LLVKDONJSA-N	318.348	3.298	10	20	DGCD	
CNCCN(C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	237344920	GBNLCSMIHBOOQF-UHFFFAOYSA-N	319.836	3.039	10	20	DGCD	
CCOc1cccc(CNC[C@@]2(N(C)C)CCC[C@@H](C)C2)c1O	236939786	LTAJYMVNPMWJKJ-DNVCBOLYSA-N	320.477	3.391	10	20	DGCD	
CCOc1ccc(O)c(CN(C)CCOCc2ccccc2)c1	91937098	ONAWSTJHIXIKEG-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
C[C@@H](Cn1cccn1)N[C@@H](C)c1cc(Br)ccc1O	273545500	ZHSJGCKUEKWUSO-QWRGUYRKSA-N	324.222	3.091	10	20	DGCD	
NC(=O)CC1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1	271056783	ANAJVUPAAAZWJC-UHFFFAOYSA-N	324.424	3.147	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](CO)Cc2ccc(F)cc2)c(O)c1	273386987	JSVCRSXJYIQCBU-GOEBONIOSA-N	317.404	3.342	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCN1C1CCCC1	377058311	WABITVSAVDXUHU-KRWDZBQOSA-N	316.445	3.148	10	20	DGCD	
C[C@H](NCC1([S@](C)=O)CCC1)c1cc2c(cc1O)CCCC2	280874137	AKRGKDLLYNGSLY-XMHCIUCPSA-N	321.486	3.223	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCOc2cccnc2)c1O	808696002	MTSVZSLLFRUMMV-GFCCVEGCSA-N	306.793	3.479	10	20	DGCD	
CCCCNC(=O)OC[C@@H]1CCCCN1Cc1ccccc1O	809690620	AQLSPRMHHGTYDY-INIZCTEOSA-N	320.433	3.273	10	20	DGCD	
CN(C(=O)COc1ccc2c(c1)CCCC2)c1ccc(N)cc1	390708294	HVNHWAOIKWJNIJ-UHFFFAOYSA-N	310.397	3.189	10	20	DGCD	
C[C@H](O)CCN(C)Cc1ccc2c(c1)CCN2Cc1ccccc1	809578775	QMVPGHJYEGPZPZ-KRWDZBQOSA-N	324.468	3.452	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@H]3CN(C)CC[C@H]32)c(O)c1	290400445	JJUAJSPHJCFYOK-MAUKXSAKSA-N	318.461	3.097	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@@H](C4CC4)C3)cc2)CC1	809786798	LFNDMBJHFQCFGF-LJQANCHMSA-N	313.489	3.060	10	20	DGCD	
CCN(Cc1cc(C)cc(Br)c1O)C[C@@H](C)OC	812808168	ADBTZZWLISIJKX-LLVKDONJSA-N	316.239	3.320	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@H](O)c1ccccc1F	816537877	WWEIIIFAROOLGQ-HNNXBMFYSA-N	313.731	3.147	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1Cl	825291292	IQVQMOZQRVWABZ-OCCSQVGLSA-N	324.852	3.091	10	20	DGCD	
Cc1cc(CN(CCCO)C2CC2)ccc1N1CCCCC1	827851582	FTAGESYCPAUXEA-UHFFFAOYSA-N	302.462	3.332	10	20	DGCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCF)cc1	824778227	QMSFIYPAAZBPIY-QGZVFWFLSA-N	322.424	3.010	10	20	DGCD	
CCOc1cccc(CN(C)C[C@@](C)(O)c2ccccc2)c1O	822516779	PSRGGNGYAHAQLS-LJQANCHMSA-N	315.413	3.130	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC2(Cc3ccc(F)cc3)CC2)c1	825016957	JYOGJBOIAFHFER-UHFFFAOYSA-N	316.332	3.304	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(C)(C)F	822094332	NPSRYYPEBSXHQI-UHFFFAOYSA-N	309.429	3.422	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(C(C)C)cc2O)c1	734017624	RNPXPBXCQZRZQV-UHFFFAOYSA-N	315.369	3.160	10	20	DGCD	
C[C@H](NCc1cnn(CC2CCC2)c1)c1ccc(F)cc1O	903240553	UEOYFGODNYMADU-LBPRGKRZSA-N	303.381	3.379	10	20	DGCD	
Cc1cc(C)cc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)c1	588407171	MNPDVINMDYYORO-XQRVVYSFSA-N	311.381	3.087	10	20	DGCD	
C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C	746718475	JBVXVWWINDTGSJ-RHSMWYFYSA-N	315.461	3.447	10	20	DGCD	
CCC[C@H](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1	748604878	OFQCVOGYTQGHNR-HNNXBMFYSA-N	304.434	3.170	10	20	DGCD	
CC(C)Cn1nccc1CNCCCSc1nccs1	842683511	MCPYKINMIGLJLB-UHFFFAOYSA-N	310.492	3.268	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC[C@]1(C)N	843488441	ZTNCHNNXCZCEFZ-MJGOQNOKSA-N	317.477	3.009	10	20	DGCD	
Cc1cc(CCNC(=O)[C@H]2CCC(=O)C2)c(C)n1-c1ccccc1	843758572	UGRSLBBMVLVCQM-KRWDZBQOSA-N	324.424	3.122	10	20	DGCD	
CC[C@@H](C)Oc1cc(CNC(=O)Nc2ccc(N)cc2)ccn1	841296597	VYUSUTSOKZVVTJ-GFCCVEGCSA-N	314.389	3.163	10	20	DGCD	
CCCCNC(=O)[C@H]1CCCN(Cc2cccc(CC)c2O)C1	848884650	JCPWEKHDXGKBEJ-KRWDZBQOSA-N	318.461	3.083	10	20	DGCD	
CCc1cccc(CN[C@H](c2cccnc2)C(C)(C)CO)c1O	848914108	IGOHGGBPFKYHCL-GOSISDBHSA-N	314.429	3.199	10	20	DGCD	
Cn1cc(/C=C(\Cl)c2nc3cc(Cl)ccc3n2C)nn1	741467184	LBCZWIDZEWUEIR-POHAHGRESA-N	308.172	3.092	10	20	DGCD	
Cc1ncc(CNCCc2cc(C)n(-c3ccccc3)c2C)n1C	850014658	MXHQGBXVTFZHSN-UHFFFAOYSA-N	322.456	3.468	10	20	DGCD	
COc1cc(CNCC2(N(C)C)CCC2)c(O)c(C(C)(C)C)c1	850266998	KBULOOAOWANCQI-UHFFFAOYSA-N	320.477	3.272	10	20	DGCD	
COc1cc(CNC[C@@H](C)C[C@@H](C)O)c(O)c(C(C)(C)C)c1	850153124	AJWPYVDRQUSLLA-QWHCGFSZSA-N	309.450	3.195	10	20	DGCD	
C[C@@H](NCC[C@@H](O)COCc1ccccc1)c1ccccc1O	858594414	DFLPMRIWDHRCAL-NVXWUHKLSA-N	315.413	3.011	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCCO[C@H]2CC(C)C)c1	858373120	YSVLIROVKIFPOJ-RDJZCZTQSA-N	320.433	3.094	10	20	DGCD	
Cc1csc([C@H](C)CNC(=O)N[C@H](C)c2ccccc2O)n1	868496106	CUWWOBWAMPZLAP-ZYHUDNBSSA-N	319.430	3.321	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H](n3ccnc3)C1)CCCC2	768449428	ZGKONDHLQPWTLW-SFHVURJKSA-N	311.429	3.305	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2ccc(OCC3CC3)cc2)c1	862758575	DHTKSXUMAHUPHA-UHFFFAOYSA-N	311.381	3.419	10	20	DGCD	
C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1	768892826	MKKSHSFEYQEZKF-OAHLLOKOSA-N	316.420	3.275	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCc2ccc(O)c(F)c2)c1	862757187	KPTAFAKJKMTLHS-UHFFFAOYSA-N	317.360	3.184	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC(Oc2cccc(F)c2)CC1	862426287	CTTLLKKHGZYMKD-UHFFFAOYSA-N	321.373	3.276	10	20	DGCD	
CCN1CCN(C(=O)/C=C/c2cnccc2C)c2ccccc21	1116537861	AHRCMULRTFGCPN-CMDGGOBGSA-N	307.397	3.276	10	20	DGCD	
C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1ccccc1O	769686883	KFXXZXAAMXTIAA-STQMWFEESA-N	308.422	3.174	10	20	DGCD	
CCOc1ccc(CN2CCCN(C(C)(C)C)CC2)c(O)c1	769184636	CDSWCQSNDWGXHY-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)N[C@H]2CC23CCC3)C2CC2)cc1	876425058	DJBPDPIPQAGIIZ-KRWDZBQOSA-N	313.445	3.369	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1O	773262203	OIZHEZOGFOTEFZ-CVEARBPZSA-N	319.445	3.348	10	20	DGCD	
COC[C@@H](NCc1ccc(C)cc1O)c1cccc(OC)c1	877626710	YLYDLLZBPXZWGJ-QGZVFWFLSA-N	301.386	3.187	10	20	DGCD	
CC1(C)[C@H](C(=O)NCc2cccc(O)c2O)[C@H]1c1ccccc1	1123979021	ZMSOFEIJMKOUAF-CVEARBPZSA-N	311.381	3.154	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H]1CCO[C@H]1C	771036515	LFOPQRSTCQUUPV-JSGCOSHPSA-N	305.399	3.490	10	20	DGCD	
CCOC[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C	788834732	YCHKGLAAEASJPN-WMLDXEAASA-N	321.465	3.174	10	20	DGCD	
COc1cccc2c1OCC[C@@H]2NCc1cc(F)cc(F)c1O	882996872	LWHMCRPDQXTNON-AWEZNQCLSA-N	321.323	3.292	10	20	DGCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)[C@@]1(C)CCCO1	788541037	BDLOFLCMZZAGSM-MAUKXSAKSA-N	320.502	3.287	10	20	DGCD	
C[C@@H](Nc1nccnc1Cl)c1ccc(N2CCOCC2)cc1	892025019	JLGJULYLUQIGKE-GFCCVEGCSA-N	318.808	3.140	10	20	DGCD	
COc1cc(C)cc(CN(CCCO)Cc2ccccc2)c1O	894004133	YLZXJOHNEXGEEL-UHFFFAOYSA-N	315.413	3.094	10	20	DGCD	
COc1ccc(NCc2ccc(OC)c(OC)c2O)cc1OC	892259616	YODKNYLGQOUYOC-UHFFFAOYSA-N	319.357	3.039	10	20	DGCD	
C[C@H](NCCC[C@@H](C)O)c1cc(Br)c(F)cc1O	788603767	DRZCYNAUPRZOPQ-BDAKNGLRSA-N	320.202	3.105	10	20	DGCD	
CCCCC1(C(=O)NCCNCc2ccc(OC)c(C)c2)CC1	1133362827	XIARZDQAUFDRBP-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
COC[C@H]1CCCN(Cc2c(O)cccc2Br)C1	707147016	RUYURMBDRVLICL-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
CN1CCN(c2ccc(CNc3ncccc3Cl)cc2)CC1	795805432	FWBCAEXDLKXHHY-UHFFFAOYSA-N	316.836	3.099	10	20	DGCD	
CN(C)c1ccc(CN(Cc2cccnc2N(C)C)C2CC2)cc1	1323652888	RCQRDWWLGBRATR-UHFFFAOYSA-N	324.472	3.378	10	20	DGCD	
Nc1ccc(CN2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1	1336117997	UJVCCYSJIDEEKG-LJQANCHMSA-N	323.440	3.053	10	20	DGCD	
C[C@H](Sc1ncc(Cl)s1)C(=O)NCc1ccco1	1261599441	XTHQSRSPCNLHHS-ZETCQYMHSA-N	302.808	3.187	10	20	DGCD	
C[C@@H]1CN(C)CC[C@@H]1N(C)Cc1ccc(N2CCCC2)cc1	1343352644	BZTIGDVKMLVCCY-APWZRJJASA-N	301.478	3.059	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccc(N(C)C)nc1	1342388632	AVLONFOVPBQYDZ-ZFWWWQNUSA-N	311.429	3.500	10	20	DGCD	
Cc1cccc2nc(CSc3ncc(C(=O)O)s3)cn12	1600559791	BMRKPPFBQUUASY-UHFFFAOYSA-N	305.384	3.090	10	20	DGCD	
CN(Cc1ccccc1Cl)c1ccc(OCC(=O)O)cc1	1606168074	DNNTYHMTYHJIRI-UHFFFAOYSA-N	305.761	3.440	10	20	DGCD	
CC[C@](C)(C(=O)O)N(Cc1ccc(F)c(F)c1O)CC1CC1	1594787336	APJIFYYFYFUPCZ-MRXNPFEDSA-N	313.344	3.136	10	20	DGCD	
O=C(O)[C@@H]1CN(Cc2ccc(Cl)cc2O)Cc2ccccc21	1594951835	PQHHVZLPOHJAHY-OAHLLOKOSA-N	317.772	3.230	10	20	DGCD	
O=C(O)[C@@H]1C[C@@H](N[C@H]2CCc3cccc(O)c32)c2ccccc21	1594900419	OBDKHNXVUHCFJQ-OWCLPIDISA-N	309.365	3.282	10	20	DGCD	
CC(C)CC[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1776323375	YELFNULPJMXUTF-NSHDSACASA-N	303.761	3.164	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)C2(C)CC2)cc1F	1776860446	GNTHIPMFEGBBGV-HNNXBMFYSA-N	308.397	3.015	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1ccc(Br)cc1F	6339253	BLWXZMMHLGQUMO-BAQGIRSFSA-N	318.192	3.077	10	20	DGCD	
COc1ccccc1CN(C)Cc1cc(OC)c(OC)cc1O	159481043	TVDCPGIKYZPCGH-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
Oc1cccc(Br)c1CNC[C@@H]1CCCSC1	706821280	ATMMVIRVLZBDNV-JTQLQIEISA-N	316.264	3.388	10	20	DGCD	
Cc1cccc(CN[C@@H](C)CCNC(=O)OC(C)(C)C)c1O	793602395	WQQSLHAYFDDBNK-ZDUSSCGKSA-N	308.422	3.094	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCc1csnn1	1342619841	CDZVIWMPCDSLSX-UHFFFAOYSA-N	319.411	3.364	10	20	DGCD	
C[C@@](O)(CNCc1cc(F)ccc1O)c1ccccc1Cl	184960329	XZOXHBMAIAWVOX-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCOC1)c1ccc(Br)cc1O	185090252	QSYHMVJZDHNJHY-MNOVXSKESA-N	314.223	3.232	10	20	DGCD	
C[C@H](NCCN1CCc2sccc2C1)c1cc(F)ccc1O	185105670	PRHOVNCVRMMISX-LBPRGKRZSA-N	320.433	3.302	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2csc([C@H](C)OC)n2)c1	182393102	XVPMLCAXGDENGD-QWRGUYRKSA-N	322.430	3.416	10	20	DGCD	
Cc1noc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1	127016865	XMKJRLHGYBPNDH-UHFFFAOYSA-N	313.279	3.229	10	20	DGCD	
CCc1nc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cs1	181069873	QIZDOBPHOOTVPW-BREXMAIKSA-N	318.398	3.007	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	134787581	PBZSVVNTXDSMDX-KVPRVUCYSA-N	303.402	3.009	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@](C)(Cc2ccccc2)[C@H](C)O)c1	191713147	CDHRLTUVOSIRGO-OXJNMPFZSA-N	313.441	3.420	10	20	DGCD	
CCCN(Cc1c(C)nn(C)c1Cl)c1ccc(CN)cc1	194977466	CTTFASNEVVBSEU-UHFFFAOYSA-N	306.841	3.257	10	20	DGCD	
CN(C)c1ccc(CNCc2nc(-c3ccccc3)c[nH]2)cc1	194224656	DHEFLIUTTHWKIM-UHFFFAOYSA-N	306.413	3.433	10	20	DGCD	
Cc1ccc([C@H](C)Nc2ccc(OCCC(N)=O)cc2)c(O)c1	192716834	LPXVDTLTVMZQEY-ZDUSSCGKSA-N	314.385	3.128	10	20	DGCD	
COc1cc(CN2CCC([C@H]3CCCO3)CC2)c(O)cc1C	190171482	LGBIYEHZHHSZIE-QGZVFWFLSA-N	305.418	3.100	10	20	DGCD	
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(N)cc3)cc2)n1	237690960	VTKSRGGZLCPMKC-UHFFFAOYSA-N	306.369	3.324	10	20	DGCD	
Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)s1	608250318	RTIBNXJRFHLWKI-UHFFFAOYSA-N	316.426	3.470	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2Cc3ccccc3NC2=O)c(O)c1C	528001793	PWUOJJHLIJFDGB-DYVFJYSZSA-N	310.397	3.223	10	20	DGCD	
CC(C)c1cc(NC(=O)NCc2ccc(N(C)C)cc2)no1	266393374	NNAWXNVRFPGVKV-UHFFFAOYSA-N	302.378	3.186	10	20	DGCD	
CC(=O)CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	267813222	FZIKOLRGRKTGBH-UHFFFAOYSA-N	302.418	3.005	10	20	DGCD	
Cc1ccccc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C	274770060	IMMANXKUHXLZDA-UHFFFAOYSA-N	305.399	3.427	10	20	DGCD	
COc1ccc([C@H](OC)[C@H](C)NCc2ccccc2O)cc1	271539109	PFHBEBZOBYJCCA-SCLBCKFNSA-N	301.386	3.267	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccncc1	273588301	OKANEGXOUXJABF-XHDPSFHLSA-N	301.346	3.497	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H]1CCN(C(C)C)C1=O	282476239	OIAXVYGWUYQABP-INIZCTEOSA-N	304.434	3.004	10	20	DGCD	
OC[C@]1(NCc2cc(Cl)ccc2O)CCCc2ccccc21	374147101	HGPXWSFOBZTAEQ-GOSISDBHSA-N	317.816	3.359	10	20	DGCD	
Cc1cc(C(=O)N2CC[C@@H](C3CC3)C2)c(C)n1-c1ccccn1	378320256	UNWWWBYAESLOCA-MRXNPFEDSA-N	309.413	3.361	10	20	DGCD	
C[C@H]1CCCN(c2ccc(CN[C@H](C)CCO)cc2Cl)C1	800493771	QHKOPPKWJMSAJJ-UONOGXRCSA-N	310.869	3.437	10	20	DGCD	
CCCCN(CCCO)Cc1cccc(Br)c1O	809752310	PEVKGHOYTRNDNO-UHFFFAOYSA-N	316.239	3.139	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](O)Cc2cccc(F)c2)c(O)c1	297250537	JFUXZUCXEZRODB-XJKSGUPXSA-N	303.377	3.094	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)c1ccccc1	808094523	RXGYRNIRJAPTIY-ZDUSSCGKSA-N	304.386	3.298	10	20	DGCD	
C[C@@H](Nc1ccc(COCCO)cc1)c1ccc(N(C)C)cc1	818362301	UTXMVSMHCGQSMB-OAHLLOKOSA-N	314.429	3.435	10	20	DGCD	
CCOC(=O)[C@@H]1CCCN(Cc2ccc3ccccc3c2O)C1	816477887	NCVOJOUTVPHDMC-MRXNPFEDSA-N	313.397	3.321	10	20	DGCD	
COCC1(C)CCN(Cc2cc(Cl)c(F)cc2O)CC1	816565580	UHLUKHONEHJSCE-UHFFFAOYSA-N	301.789	3.433	10	20	DGCD	
Cc1ccccc1CCC(=O)NCc1ccc(N(C)C)c(F)c1	728820143	AQHSHRXRIVKHRS-UHFFFAOYSA-N	314.404	3.449	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H](OC(C)C)C2)c1O	828850705	OTKUVBJKIVMHNA-CQSZACIVSA-N	311.809	3.248	10	20	DGCD	
CC(=O)NC1CCC(N(C)Cc2cc(Cl)c(C)cc2O)CC1	825497116	CNBWPCQYIVGZAN-UHFFFAOYSA-N	324.852	3.233	10	20	DGCD	
C[C@@H](NCc1nnc(C2CC2)s1)c1ccc(N(C)C)cc1	828959598	NSBUCAMSBMSFQM-LLVKDONJSA-N	302.447	3.332	10	20	DGCD	
COc1cc(CN(C)C2(CO)CCC2)c(O)c(C(C)(C)C)c1	827904151	VITRCXZAUJNHAE-UHFFFAOYSA-N	307.434	3.045	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]2CC(=O)O)cc1F	902005744	ALLWTDNXQLWOLO-AWEZNQCLSA-N	308.397	3.111	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCc3ccccc32)c1	734016428	QAJFKXAANIKATP-QGZVFWFLSA-N	311.381	3.137	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCCCOC(C)C)sc2n1	733418123	JRKYBGDDBXVHFK-UHFFFAOYSA-N	322.430	3.467	10	20	DGCD	
CC[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccccc1O	839540998	QDILYQPEJPKNPS-NVXWUHKLSA-N	310.397	3.386	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccn(CC)n2)cc1F	840955701	VFPUFIWDRPISJX-UHFFFAOYSA-N	304.413	3.178	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](CO)CC2CCCC2)c1O	846166843	DMPVKISMFKRAMG-DZGCQCFKSA-N	307.434	3.240	10	20	DGCD	
COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc(N)cc1)CCC2	848940566	PJIJGMYSQNGSHU-KRWDZBQOSA-N	310.397	3.014	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1O	846161348	YAXRVQFVVYWUMS-GGBBIFEXSA-N	317.429	3.399	10	20	DGCD	
CS[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccccc1O	845336265	MICCVNJZKDYHMP-UKRRQHHQSA-N	308.447	3.208	10	20	DGCD	
Cc1nn(C(C)C)cc1C(=O)NCCCSc1nccs1	847487296	ATELOZPLOOUQCM-UHFFFAOYSA-N	324.475	3.141	10	20	DGCD	
CC[C@@]1(C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	758802081	IYPFTWYUMJDDGG-IBGZPJMESA-N	313.445	3.394	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CC1CC1	858626204	ULPBUKLWQNJVRN-UHFFFAOYSA-N	310.397	3.389	10	20	DGCD	
COc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1C	754834074	OBGCPVDONDFZHS-KBAYOESNSA-N	301.430	3.441	10	20	DGCD	
Cc1cc(CNC(=O)NOC(C)C)c(C)n1-c1ccccc1	858906185	KCSFIEVZFKYSFO-UHFFFAOYSA-N	301.390	3.233	10	20	DGCD	
COc1cc(O)c(CN2CC[C@@H]2c2ccc(F)cc2)cc1OC	853544805	KGOXJOVSISFWGY-OAHLLOKOSA-N	317.360	3.496	10	20	DGCD	
C1=CCN(c2ccc(CNc3ncnc4ccncc34)cc2)C1	752634283	FIGJMVOKVLDGCT-UHFFFAOYSA-N	303.369	3.013	10	20	DGCD	
C[C@H](NC[C@H]1CCCO1)c1cc(Br)c(F)cc1O	756354389	AAWFCEJQEUXFDM-DTWKUNHWSA-N	318.186	3.123	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCO[C@H](CC(C)C)C2)c1	858349698	NJAPWAYAPRJBRK-JKSUJKDBSA-N	320.433	3.094	10	20	DGCD	
CCCN(CC(=O)c1cc(C)n(C)c1C)Cc1ccccc1O	754642654	XOVNVONVPJVULO-UHFFFAOYSA-N	314.429	3.442	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1O	868165220	ZYEJTECMRHLWQG-LYRGGWFBSA-N	314.360	3.448	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H](C1CC1)C(F)(F)F)c1ccccc1O	868617088	DSMWSNTWGUIEGI-PELKAZGASA-N	302.296	3.093	10	20	DGCD	
COC(=O)c1cnc(S[C@@H]2Cc3ccccc3[C@@H]2OC)s1	863339281	BAXCOKWVENMYIO-YPMHNXCESA-N	321.423	3.334	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)Cc2cc(OC)c(C)cc2O)C12CCC2	768461934	HQVFRXNYLMAXRV-ZWKOTPCHSA-N	319.445	3.489	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	760156784	GPJAIWHJSQEFLH-IPMKNSEASA-N	314.473	3.498	10	20	DGCD	
COC(=O)c1ccc2c(c1)CN(Cc1cc(C)ccc1O)CC2	779598458	APNOCPNWNXDVLY-UHFFFAOYSA-N	311.381	3.046	10	20	DGCD	
CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cc(O)cs1	776251053	OZZMDRGUCGGESY-LKFCYVNXSA-N	309.362	3.099	10	20	DGCD	
COc1ccccc1O[C@@H](C)CNCc1c(C)cccc1O	877073507	LXYUKNWGPLPMCL-AWEZNQCLSA-N	301.386	3.266	10	20	DGCD	
C[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1ccc(N(C)C)cc1	773622651	HAONAVGMFNJMHW-CABCVRRESA-N	301.434	3.469	10	20	DGCD	
O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(O)c1O	776351193	UXLHSLSCYJCCSA-HOCLYGCPSA-N	311.381	3.239	10	20	DGCD	
Cc1ccc(C(=O)NC2CCN(Cc3ccccc3O)CC2)cc1	877672755	MMIGCJNPUUZGEV-UHFFFAOYSA-N	324.424	3.095	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2cc(OC)ccc2O)C12CCCC2	776224583	UKBWLULIUNRRQB-IAGOWNOFSA-N	305.418	3.228	10	20	DGCD	
CCC(CC)[C@@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)OC	779535975	GHGOJVLBGUQDIK-NBEHIINDSA-N	321.417	3.069	10	20	DGCD	
CCC1(CC)[C@@H](OC)C[C@H]1N(C)Cc1cccc(OC)c1O	770353765	ULPQTLAUAJYDLQ-CVEARBPZSA-N	307.434	3.426	10	20	DGCD	
CCC1(CC)CN(CN(C)Cc2ccc(N(C)C)cc2)C(=O)O1	778568057	WNAWWXUCVDLVBL-UHFFFAOYSA-N	319.449	3.153	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC1CCN(C2CCCC2)CC1	883028688	RQVOELBJNUZHBJ-UHFFFAOYSA-N	310.388	3.167	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC2(CCC2)[C@H]1C1CCOCC1	895056745	ASXRCOXTMLUZSO-QGZVFWFLSA-N	323.383	3.452	10	20	DGCD	
COc1cc(O)c(CN(CC2CCC2)CC2CC2)cc1OC	793391424	YGSHMWXQHJFVJT-UHFFFAOYSA-N	305.418	3.422	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCc1nc2c(s1)CCC2	896287471	MPCGKMBKRKUCDQ-UHFFFAOYSA-N	312.797	3.420	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@@H](c3ccnn3C)C2)cc1	790482734	CFLWSXHJUBNEDZ-IAGOWNOFSA-N	312.461	3.302	10	20	DGCD	
CCN1C[C@H](C)N(Cc2ccc(N3CCCC3)cc2)C[C@H]1C	1319713254	VLSSJPSWGVDVJA-SJORKVTESA-N	301.478	3.201	10	20	DGCD	
C[C@](Cc1ccccc1)(NC(=O)NCc1ccc(N)cc1)C1CC1	1337019777	UQSYIUADIMNLHR-HXUWFJFHSA-N	323.440	3.479	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC(c2ccncc2)CC1	1262111312	BZTDXALVJRTPON-UHFFFAOYSA-N	304.340	3.445	10	20	DGCD	
C[C@H](NCc1nc(C2CC2)cs1)c1cc(C(=O)O)ccc1O	1604348419	GFOSOGDXHGQLDT-VIFPVBQESA-N	318.398	3.275	10	20	DGCD	
Cc1sc([C@@H]2CCCN2Cc2ccccc2O)nc1C(=O)O	1600882405	DKQPQWHOZUNBJB-LBPRGKRZSA-N	318.398	3.192	10	20	DGCD	
COc1ccc(CN[C@@H]2CCC[C@H](CCCC(=O)O)C2)c(O)c1	1610335782	LMPLJTYEBMCRDS-UKRRQHHQSA-N	321.417	3.304	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN(C2CC2)C1	44684727	FOTXROZRYPWLMY-LLVKDONJSA-N	301.217	3.025	10	20	DGCD	
Cc1cccc(CCNCc2cc(Br)ccc2O)n1	280543488	JKUYWDCMIGQXGP-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)ccc2C)c1	104124928	IYCOVDQQRQZHQC-LLVKDONJSA-N	303.333	3.339	10	20	DGCD	
COCCOCCN1CCCc2cc(OC(F)(F)F)ccc21	175581195	IEXSMPHMZNQOOT-UHFFFAOYSA-N	319.323	3.001	10	20	DGCD	
CC(C)OCCCC(=O)NCc1c(O)ccc2c1CCCC2	183655100	UBPQSHZXXMLLLJ-UHFFFAOYSA-N	305.418	3.092	10	20	DGCD	
CC[C@H](O)CCN[C@@H](C)c1cc(Br)cc(C)c1O	187308707	PKLIZWJANLRICO-JQWIXIFHSA-N	316.239	3.275	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccsc1	183210484	BJVOJIBGOMXZMJ-UHFFFAOYSA-N	303.387	3.245	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc2ccccc2c1O)c1nnnn1C1CC1	189146797	OVLFKEPSQDVXGK-NEPJUHHUSA-N	323.400	3.279	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@H]1CC2(CCC2)C(=O)O1	192049431	LJXBPTJSVGCWLH-OAHLLOKOSA-N	303.402	3.090	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@H](c2ccn[nH]2)C1	191256100	FCOXRRBXMZOCPV-JTQLQIEISA-N	309.772	3.287	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	262139173	MFZZSFPOBNLRFO-QWHCGFSZSA-N	314.351	3.296	10	20	DGCD	
CC1(C2CCN(Cc3cccc(Cl)c3O)CC2)OCCO1	271753091	WDVLHWXERVMAGF-UHFFFAOYSA-N	311.809	3.021	10	20	DGCD	
CCN(C[C@H]1CC2(CCC2)C(=O)O1)c1ccc(OC)c(OC)c1	277010911	POVFGYBIPSKQPA-CQSZACIVSA-N	319.401	3.016	10	20	DGCD	
COc1cc(O)c(CNC2CC(c3ccccc3)C2)cc1OC	271879937	PEWIKIGJALVVMV-UHFFFAOYSA-N	313.397	3.445	10	20	DGCD	
C[C@@H](Cn1ccnc1)N[C@H](C)c1ccc(Br)cc1O	273301164	BNHIOTSIZWRLKU-WDEREUQCSA-N	324.222	3.091	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccc(F)c(F)c1	373853317	XQQMJXJUJYBXMA-AWEZNQCLSA-N	319.307	3.353	10	20	DGCD	
c1nc([C@H]2CCCN2Cc2ccc(N3CCCCC3)cc2)no1	371376417	YKDLFUHBEWMARD-QGZVFWFLSA-N	312.417	3.397	10	20	DGCD	
COc1ccc(N(CCC(C)C)Cc2nnc(C)n2C)cc1	280547090	QECMGRPUXQHXLB-UHFFFAOYSA-N	302.422	3.185	10	20	DGCD	
CC[C@H](NC[C@H](O)c1ccc(OC)cc1)c1ccc(F)cc1O	285811592	VVSITTMKXJSASW-WMZOPIPTSA-N	319.376	3.314	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2CCC(F)(F)C2)c1O	281852397	YKWZQEXXNZZMBT-QMMMGPOBSA-N	320.723	3.479	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(F)(F)F)CCC1	294582440	YBLWFIXHPFDGIK-UHFFFAOYSA-N	314.351	3.444	10	20	DGCD	
C[C@H](C(=O)NCc1ccccc1O)[C@H]1OCCc2sccc21	293675146	KJUXENIBWBQVPY-MEDUHNTESA-N	317.410	3.020	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cccnn1	801636040	AFSODHQSZZSVJF-UHFFFAOYSA-N	300.362	3.016	10	20	DGCD	
COc1ccc(COCCN[C@@H]2CCc3cccc(O)c32)cc1	296822934	MFRSRMUIIBZOKF-QGZVFWFLSA-N	313.397	3.195	10	20	DGCD	
O=S(=O)(CCc1cccs1)Nc1ccc(O)c(Cl)c1	811694990	VQUHDOBEOZUICG-UHFFFAOYSA-N	317.819	3.092	10	20	DGCD	
CCC(CC)(CNCc1cc(Cl)cc(F)c1O)C(=O)O	818630015	XQKLMSKZWCZKFL-UHFFFAOYSA-N	303.761	3.165	10	20	DGCD	
COC[C@H](NC(=O)c1cc(O)cs1)c1cccc(Cl)c1	811582726	IGRBFDUXYWXYLL-LBPRGKRZSA-N	311.790	3.225	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2cn(-c3ccccc3)nn2)c(O)c1	815596552	XOQKQNKCLNVQEV-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
CCN1CC[C@H](CN[C@H](C)c2cccc(C(F)(F)F)c2O)C1	815560718	NYFNUEYFTAZFIK-VXGBXAGGSA-N	316.367	3.403	10	20	DGCD	
C[C@H]1CN(c2cccc(F)c2)CCN1Cc1ccccc1O	814178351	MZDYZQBOQGIRAV-AWEZNQCLSA-N	300.377	3.242	10	20	DGCD	
C[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccc(F)cc1O	815632321	JXMBLJMNMWZQGJ-MRVPVSSYSA-N	307.300	3.334	10	20	DGCD	
O=C(O)CCN(Cc1ccc(N2CCCCC2)cc1)CC1CC1	901613144	PXVAYOBSBBISGV-UHFFFAOYSA-N	316.445	3.364	10	20	DGCD	
COc1cccc(CNc2ccc(CN(C)C)c(C)c2)c1O	839188377	GACFPKFCQASEOX-UHFFFAOYSA-N	300.402	3.383	10	20	DGCD	
C[C@H](CC1CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1	839143855	CYYPZPMQSBZEOL-GFCCVEGCSA-N	310.388	3.080	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CN(C2CC2)C[C@H]1C	840893873	NNWVPLKOMUJRQN-GQIGUUNPSA-N	315.505	3.064	10	20	DGCD	
CNCCCN(Cc1cccs1)c1ccc2c(c1)OCCO2	843357725	OLMYYYGQHXKPBS-UHFFFAOYSA-N	318.442	3.135	10	20	DGCD	
Cc1ccc(O)c(CN(Cc2ccccc2)[C@@H]2CCCNC2)c1	843052925	OYMKUZRKUDRVIO-LJQANCHMSA-N	310.441	3.455	10	20	DGCD	
CC(C)NC(=O)[C@@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1O	840889247	FRMJOAALPSYFBA-RKDXNWHRSA-N	319.232	3.263	10	20	DGCD	
Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccc3O)cc2)n1	748354172	GIVHANDGKXFEDO-UHFFFAOYSA-N	321.380	3.125	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CS[C@H](C)C1	840417349	IBPMHDXUQBOFIH-TZMCWYRMSA-N	308.447	3.208	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@@H]2C[C@H]12)c1ccc(N2CCOCC2)cc1	840818044	GIEFTOGEIWLNRF-FXECBMLZSA-N	300.446	3.362	10	20	DGCD	
COc1ccccc1NC[C@H](O)COc1c(C)ccc(C)c1C	844153532	WPFAZNYMGTXYAA-INIZCTEOSA-N	315.413	3.472	10	20	DGCD	
CCc1cccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1O	848882730	ZOIVFNPSCSPKSS-GOSISDBHSA-N	324.424	3.018	10	20	DGCD	
C[C@H](NCC1CC2(C1)OCCO2)c1cc2c(cc1O)CCCC2	927005288	ZCYUTOZRLRZRHG-ZDUSSCGKSA-N	317.429	3.075	10	20	DGCD	
COCCOC[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1O	756731515	BZGKGOXSVXDJOA-KGLIPLIRSA-N	303.402	3.248	10	20	DGCD	
C[C@@H](NCCOc1ccccc1F)c1cc([N+](=O)[O-])ccc1O	756372108	OEKXGJFJPMXVPC-LLVKDONJSA-N	320.320	3.169	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCCc2ccccc21)c1cc(F)ccc1O	756561605	FQOAMSYGNNAMGC-BFUOFWGJSA-N	315.388	3.406	10	20	DGCD	
C[C@@H](Nc1cnn(C(C)(C)C)c1)c1cc([N+](=O)[O-])ccc1O	756855909	OMCVESIXICKULQ-SNVBAGLBSA-N	304.350	3.425	10	20	DGCD	
COc1ccc(O)c(CNCc2cc(F)c(N(C)C)cc2F)c1	858137157	HUZGEYOMHDFWFZ-UHFFFAOYSA-N	322.355	3.035	10	20	DGCD	
C[C@H](NCC1CCN(CC2CC2)CC1)c1cc(F)ccc1O	850582830	LMMXXFFVXLJVBJ-ZDUSSCGKSA-N	306.425	3.304	10	20	DGCD	
COC[C@@H](C)N[C@H](C)c1cc(Br)cc(Cl)c1O	756343399	YTFOSITWSBKGNJ-HTQZYQBOSA-N	322.630	3.494	10	20	DGCD	
C[C@H](NC(=O)c1cnn(C2CCC2)c1)c1ccc(N(C)C)cc1	935464406	LXFMOYNZAYXCMK-ZDUSSCGKSA-N	312.417	3.165	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cnn(C2CCC2)c1	930205880	PMJMZAVQPQPYKD-UHFFFAOYSA-N	324.428	3.138	10	20	DGCD	
Cc1cc(CNC(=O)COCC2CC2)c(C)n1-c1ccccc1	863166487	UYDCVJLOHFXVPE-UHFFFAOYSA-N	312.413	3.137	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCC(C)(C)C2)c1	768765683	FTOXGGKOBUSMGO-VXGBXAGGSA-N	306.406	3.340	10	20	DGCD	
CCC(CC)C(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1	768337127	ATCBMEHTFDZGEH-UHFFFAOYSA-N	324.852	3.126	10	20	DGCD	
Cc1ccc(CNCc2ccc(C)nc2N2CCCC2)c(O)c1	877188795	IYNAZZXEDASSPK-UHFFFAOYSA-N	311.429	3.294	10	20	DGCD	
Cc1nc(C2(NCc3cccc(C)c3O)CCCCC2)no1	776156512	KZHRFEWVGVQAAP-UHFFFAOYSA-N	301.390	3.341	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccnn1CC	776018771	GBEHHQZRCYJGDF-UHFFFAOYSA-N	302.378	3.053	10	20	DGCD	
COc1cc(C)cc(CNCC[C@](C)(O)c2ccccc2)c1O	894502608	CEVCGXHEBQDQTR-IBGZPJMESA-N	315.413	3.097	10	20	DGCD	
Cc1nscc1C(=O)NCc1ccc(N2CCCCC2)cc1	781325025	QDCOFSMQQDWNFB-UHFFFAOYSA-N	315.442	3.372	10	20	DGCD	
Cc1cccc(C[C@@H](CO)N[C@H](C)c2cc(F)cc(F)c2O)c1	786574816	GHFLOTRIPIAMNS-DOMZBBRYSA-N	321.367	3.233	10	20	DGCD	
CCOC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cn1	790241607	ZKGNKFXEBVUWFN-UHFFFAOYSA-N	324.739	3.369	10	20	DGCD	
CCCN(CC1CCC2(CC1)OCCO2)c1ccc(CN)cc1	795981507	NHXBEWYVMJBBMI-UHFFFAOYSA-N	318.461	3.295	10	20	DGCD	
C[C@H](N[C@H]1CSC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1	797063262	AWIFBLGOGRXKME-WWGRRREGSA-N	324.465	3.064	10	20	DGCD	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N)cc1	1336290788	RQRFFWSMFWVCLR-LBPRGKRZSA-N	315.339	3.141	10	20	DGCD	
CC[C@H](C)n1nccc1C(=O)NCc1cc(Cl)ccc1O	1352324634	ACPOJCYIQAWNEZ-JTQLQIEISA-N	307.781	3.143	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C(=O)O)c1ccc(F)cc1	1605187129	OLZADCVCGFUURF-QGZVFWFLSA-N	316.376	3.116	10	20	DGCD	
Cc1cc(Br)cc(NC(=O)c2cccc(O)c2O)c1	229418135	VJEPBJOYNDKYPO-UHFFFAOYSA-N	322.158	3.421	10	20	DGCD	
CC(=O)Nc1ccc(N[C@@H](C)c2cc(C(=O)O)ccc2O)cc1	1589199499	OQGDXRJOYONOTI-JTQLQIEISA-N	314.341	3.222	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H](C)[C@@H]3C[C@H]3C(=O)O)cc2)CC1	1594434225	HMJGOMTZLCZBBR-FHLIZLRMSA-N	316.445	3.122	10	20	DGCD	
CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	158923717	LDMXTEZXACIGPK-INIZCTEOSA-N	317.410	3.285	10	20	DGCD	
CC[C@@H](C)[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	151514718	DVBBGNIFMFYAKM-ZIAGYGMSSA-N	308.441	3.311	10	20	DGCD	
C[C@H]1SCC[C@@H]1NCc1cccc(Br)c1O	309783729	NNFCAUUVYBYZOY-KCJUWKMLSA-N	302.237	3.138	10	20	DGCD	
CC[C@H](N[C@@H](CC)[C@@H](C)O)c1cc(Br)ccc1O	386737621	XGZHESWKNOOCHL-ICCXJUOJSA-N	316.239	3.355	10	20	DGCD	
CCc1nc(NC(=O)NCc2cc(OC)ccc2O)sc1C	174349722	RGQXSEZSGWUANY-UHFFFAOYSA-N	321.402	3.050	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1F	108968718	JUIZLMWVJKODQJ-GFCCVEGCSA-N	318.367	3.451	10	20	DGCD	
C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	173024699	RVFYVBUIMCTLQI-JMSVASOKSA-N	324.371	3.029	10	20	DGCD	
c1ccc2c(c1)CC[C@@H]2CNCc1ccc(N2CCOCC2)cc1	111390637	XEUOBUKTAWUZTR-LJQANCHMSA-N	322.452	3.343	10	20	DGCD	
CCOC(=O)C[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1O	1343973480	VVGMSMQBTKKLPD-NSHDSACASA-N	315.772	3.102	10	20	DGCD	
O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(O)c1O	186801254	HIHQWTJDRQSTRY-GFCCVEGCSA-N	319.357	3.204	10	20	DGCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@@H]1c1ccccc1	185737806	LWIFLQVGEYJTTD-ZFWWWQNUSA-N	311.381	3.364	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C2CC2)CC1	123820825	DZQFDWSVMQRNAE-UHFFFAOYSA-N	301.434	3.050	10	20	DGCD	
C[C@@H](N[C@@H]1CCCOCC1)c1ccc(Br)cc1O	186234860	LERUSRYUCMLIRS-ZYHUDNBSSA-N	314.223	3.374	10	20	DGCD	
C[C@H](Nc1cnn(CC(F)F)c1)c1ccc(F)c(F)c1O	187867786	QXDQAMBZQONAOP-ZETCQYMHSA-N	303.259	3.305	10	20	DGCD	
CCOc1cc(F)ccc1NC(=O)c1ccc(C)c(O)c1O	182123423	LVHYVTQDPFAEOD-UHFFFAOYSA-N	305.305	3.196	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1O	192927382	HVTZQUXOSHRFJN-AWEZNQCLSA-N	310.397	3.370	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cn(C(C)(C)C)nn1	191156475	YJXVUDQUTOHKIZ-UHFFFAOYSA-N	315.465	3.121	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2ncccc2F)c1O	528832462	VUSJMUFLYGVSGS-VIFPVBQESA-N	306.312	3.119	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](C)c2ccc(Br)cc2O)CCO1	273522848	UQJAPYAGIBGWEF-CKYFFXLPSA-N	314.223	3.373	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](CO)Cc2ccc(F)cc2)c(O)c1	273386990	JSVCRSXJYIQCBU-HOCLYGCPSA-N	317.404	3.342	10	20	DGCD	
C[C@H](NCCc1ccncc1)c1cc(Br)ccc1O	273364227	AZTMYZBHISKHMS-NSHDSACASA-N	321.218	3.443	10	20	DGCD	
CC[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(F)cc1O	285977021	HLMUUMNZGMDINM-ZUOKHONESA-N	301.427	3.119	10	20	DGCD	
COc1ccc(CN[C@H](C)c2noc(COC(C)C)n2)cc1C	290838459	ICEYVHUEIAWLLQ-CYBMUJFWSA-N	319.405	3.162	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc(C(C)C)oc2C)c1	802783532	VHOPJDSPOVJSSA-UHFFFAOYSA-N	303.358	3.356	10	20	DGCD	
CCN(Cc1nc(CC(C)C)no1)c1ccc(OC)c(OC)c1	299295512	WDQOEERZDBPNNJ-UHFFFAOYSA-N	319.405	3.312	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCCC(=O)C(C)(C)C)cc1	294550774	VTIRIEBJBIFEQX-UHFFFAOYSA-N	304.434	3.154	10	20	DGCD	
CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1ccc(N(C)C)cc1	808023752	XIYRQKNTFRUKFU-LLVKDONJSA-N	317.393	3.359	10	20	DGCD	
CC1=CC[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	294299673	PWUBEEGWPZPQGV-INIZCTEOSA-N	318.436	3.375	10	20	DGCD	
CCC[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	812504060	KEMOEKAXEZVVRC-DJIMGWMZSA-N	317.429	3.336	10	20	DGCD	
Cc1ccc(O)c(CN2CCCN3c4ccccc4C[C@@H]3C2)c1	811513386	VHMVBAIUHKXYTK-GOSISDBHSA-N	308.425	3.338	10	20	DGCD	
C[C@@H](Cc1cccs1)NC[C@H](N)c1ccc(N(C)C)cc1	817939070	YLZMUOQPXMPCND-GUYCJALGSA-N	303.475	3.035	10	20	DGCD	
COc1ccncc1CN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	815629237	XSXQTWKWHNJKTA-ZWNOBZJWSA-N	302.349	3.273	10	20	DGCD	
CCN(CC1CC1)C(=O)c1csc(Cc2ccc(N)cc2)n1	817938612	OKPNOBONUUBRGP-UHFFFAOYSA-N	315.442	3.188	10	20	DGCD	
CCCCN(C)C[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	810245211	UVGCPXRGMUKAOK-CHWSQXEVSA-N	309.410	3.071	10	20	DGCD	
Cc1cc(O)c(CNC(C)(C)c2cn(C(C)C)nn2)cc1C	817420566	VVZPUVIJJXCWMF-UHFFFAOYSA-N	302.422	3.206	10	20	DGCD	
CCC[C@@H](CC)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	824712193	VURUVYRQZWQFFR-MRXNPFEDSA-N	318.461	3.090	10	20	DGCD	
Cc1cccc([C@@H](CC(=O)O)NCc2ccc3c(c2)CCO3)c1	904043098	PMRIWJSWRKWFCC-QGZVFWFLSA-N	311.381	3.236	10	20	DGCD	
CCO[C@@H](C)c1noc(CN2CCCc3cc(OC)ccc32)n1	736620129	BDQGAKWCPZHRSY-LBPRGKRZSA-N	317.389	3.129	10	20	DGCD	
CN(C)c1ccc(CN(CCOCC(F)(F)F)C2CC2)cc1	919770502	GVFIGBFFVZPUKK-UHFFFAOYSA-N	316.367	3.296	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](CCO)c2ccccc2F)cc1C	842763959	PLEBAYCJCVFSJK-KRWDZBQOSA-N	303.377	3.361	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)CCN(C)C)c1C	747999319	LDMCAXBPXGCEFK-UHFFFAOYSA-N	313.445	3.036	10	20	DGCD	
COc1cccc(CNCc2cnccc2C(C)(C)C)c1O	840957660	FECJDNNFZDDZAS-UHFFFAOYSA-N	300.402	3.383	10	20	DGCD	
CC[C@H](Oc1ccccc1F)C(=O)NCc1ccccc1O	748300162	PDUWEOIFGLHUGQ-HNNXBMFYSA-N	303.333	3.005	10	20	DGCD	
Cc1ccc(O)c(CN(CC(=O)OC(C)(C)C)C2CCC2)c1	848928065	VDARYARBWMMMLU-UHFFFAOYSA-N	305.418	3.397	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCN1Cc2ccccc2C1	840928997	KCHPJFOVNNJDLI-UHFFFAOYSA-N	309.457	3.166	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CC[C@@H](C)O1	743415570	GHVXUIPWQCIRPW-RHSMWYFYSA-N	304.434	3.025	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1	840949587	YPOKIXQIHNRRMH-OALUTQOASA-N	300.446	3.204	10	20	DGCD	
C[C@@H](NCc1cc(C2CC2)n(C)n1)c1cc(F)cc(F)c1O	927108381	NQCGNBADVMUBTG-SECBINFHSA-N	307.344	3.132	10	20	DGCD	
CC[C@@H](N)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	843483434	CSTVSIPDWZCKAJ-RHSMWYFYSA-N	312.413	3.219	10	20	DGCD	
C[C@H](NCc1csc(N(C)C)n1)c1cc(Cl)ccc1O	756638019	QHENLTXGQUJKMZ-VIFPVBQESA-N	311.838	3.419	10	20	DGCD	
CNC(=O)CC1(CNCc2c(O)cccc2Cl)CCCCC1	850400047	YDRIMHHLELLQIQ-UHFFFAOYSA-N	324.852	3.222	10	20	DGCD	
Cn1cnc2cc(NCc3ccc(O[C@H]4CCOC4)cc3)ccc21	850217672	INEKQEPFJYLDSH-KRWDZBQOSA-N	323.396	3.353	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(N(C)C)cc1	850501856	QGNIKMGAKRHTHE-IRYHUZONSA-N	308.491	3.093	10	20	DGCD	
CC1(c2ccccc2)CN(Cc2ccc(N3CCOCC3)cc2)C1	857058981	XDAMAZLTROARLX-UHFFFAOYSA-N	322.452	3.297	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)c1	858363382	IRDOIHCNGXJQQV-JKSUJKDBSA-N	320.433	3.092	10	20	DGCD	
COC(=O)c1cc(CSc2nccs2)cc(C(=O)OC)c1	766288240	FNHMXVRVHSWOPC-UHFFFAOYSA-N	323.395	3.009	10	20	DGCD	
Oc1ccccc1CN(Cc1ccco1)C[C@@H]1CCCOC1	768542184	OHHMBKMNSDTTGB-HNNXBMFYSA-N	301.386	3.414	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@@]2(N(C)C)CCSC2)cc1	766438409	LEFNUDOJFFBEFW-QAPCUYQASA-N	321.534	3.231	10	20	DGCD	
CC[C@H](NCCCN1CCCCC1=O)c1ccc(N(C)C)cc1	765846827	ZSMMVSUARNSMLU-SFHVURJKSA-N	317.477	3.196	10	20	DGCD	
C[C@H](CO)N(Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1	1116445638	QEBWZANQGVFAIE-OAHLLOKOSA-N	316.420	3.275	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc(N2C(=O)CCCC2=O)cc1	876846106	NHBVLHUTPOLZJB-UHFFFAOYSA-N	324.380	3.356	10	20	DGCD	
CC[C@H](N[C@@H](C)COCCOC)c1cc(Cl)ccc1O	775528377	XSNXIMFZBSTHIQ-FZMZJTMJSA-N	301.814	3.138	10	20	DGCD	
CCCOc1ccc(CNC2(CO)CCSCC2)cc1C	873130248	BVKOCRAECUIKCC-UHFFFAOYSA-N	309.475	3.132	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)CC1CCSCC1	876551438	RXPQCSXRDIUBRR-UHFFFAOYSA-N	320.502	3.098	10	20	DGCD	
Cc1cccc(CN2CC[C@@]3(CC(=O)c4ccccc4O3)C2)c1O	877589938	UEHMUSXCDJLBCH-HXUWFJFHSA-N	323.392	3.311	10	20	DGCD	
CC(=O)c1cc(F)cc(Cn2cc(/C=C\C(C)C)nn2)c1O	880996030	MHYIYGVETAYCRJ-PLNGDYQASA-N	303.337	3.043	10	20	DGCD	
CCNc1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	776270101	PWOYXCAUXJILPK-LLVKDONJSA-N	318.446	3.132	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1ccc2c(c1)OCCCO2	882906924	DCOGBJIGNWBTPJ-UHFFFAOYSA-N	307.296	3.444	10	20	DGCD	
COc1cc(O)c(CNCc2cccc3cc[nH]c23)cc1OC	786578100	HIISTQWHHZHYQP-UHFFFAOYSA-N	312.369	3.181	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@@H](C)c2c(O)cccc2F)cc1	886504147	SSHOLHXAGRJENJ-LBPRGKRZSA-N	316.376	3.132	10	20	DGCD	
COc1ccc(CNC(=O)CCCCc2ccccc2)c(O)c1	897629474	PCVACVSGAYAJDB-UHFFFAOYSA-N	313.397	3.430	10	20	DGCD	
CO[C@H](C1CC1)[C@H](C)NCc1c(O)cccc1Br	706881085	LXTYEQUPPVIWNJ-XPTSAGLGSA-N	314.223	3.058	10	20	DGCD	
Oc1cccc(Br)c1CNCC1SCCS1	706825355	VAJZESZWBFLTAI-UHFFFAOYSA-N	320.277	3.050	10	20	DGCD	
CNC(=O)Nc1cc(NCc2cc(C)ccc2O)ccc1F	796471745	PODGSUROWIYTCQ-UHFFFAOYSA-N	303.337	3.203	10	20	DGCD	
CC[C@@H](C)[C@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	792989106	YYZCTWVMNYGRAF-KDOFPFPSSA-N	318.461	3.305	10	20	DGCD	
Cc1ccc([C@H](C)NCCC(=O)N2CCC[C@H](C)C2)c(O)c1C	1320132233	IYIXZYATUNYZMZ-BBRMVZONSA-N	318.461	3.308	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3ncccc3C)C2)cc1	1345659978	HMBHEFGWPQNXCJ-MRXNPFEDSA-N	311.429	3.015	10	20	DGCD	
CC(C)c1nnsc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1353646301	ZTEPNDSFUPVOMT-LLVKDONJSA-N	318.446	3.219	10	20	DGCD	
COc1ccc(O)c(CNCc2cc(C(=O)O)ccc2Cl)c1	1607277870	YWINXODMDQSMSJ-UHFFFAOYSA-N	321.760	3.042	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H](C)c2ncc(C(=O)O)s2)c(O)c1	1610490631	IVUSDTSHSROQRM-NXEZZACHSA-N	306.387	3.267	10	20	DGCD	
Cc1ccc(C)c(NC(=S)NNc2cccc(C(=O)O)c2)c1	1610495511	ICWGGXPUAKDJEI-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1	158979409	SEMOTBKHJARHPW-UHFFFAOYSA-N	311.259	3.047	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC1CCC1	152051232	DQXVPTQDYXPDID-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccnc3ccccc23)SC1=S	5541074	YOIDSDYCVAACPS-UKTHLTGXSA-N	300.408	3.456	10	20	DGCD	
COc1ccc(O)c(CNCc2ccc(Br)cc2)c1	42352887	UCXVUMIRKFBUMN-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
COc1ccc(N2CCC(NC3CCSCC3)CC2)cc1	102432760	YKBDZLFYVDMXQH-UHFFFAOYSA-N	306.475	3.149	10	20	DGCD	
CN(CC(C)(C)C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	108711690	GFBXSBADJBWCCO-JXMROGBWSA-N	316.445	3.041	10	20	DGCD	
CC[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1	172698048	VGYXKOZKFWTIIL-GJZGRUSLSA-N	301.434	3.297	10	20	DGCD	
CO[C@@H](C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	67299329	LYFDFEPXIAMZSW-AWEZNQCLSA-N	304.434	3.107	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](C)Cn2ccnc2)cc1	67500719	BOPMCXGCIFKKLT-MRXNPFEDSA-N	300.450	3.155	10	20	DGCD	
COc1ccc(N(C)Cc2cccc(C(=O)N(C)C)c2)cc1F	121706675	NLVTVEALOBRNNV-UHFFFAOYSA-N	316.376	3.173	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cc(C)c(F)cc2F)ccc1O	182478881	NPQYJSLZTLEAEZ-UHFFFAOYSA-N	313.325	3.088	10	20	DGCD	
Nc1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc1	37555024	IRPOYVXKDNGZEA-UHFFFAOYSA-N	308.303	3.147	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)nc1	125333622	UWKKKOLWZUBTLP-UHFFFAOYSA-N	315.348	3.127	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@H](C)c2ccc(C)cc2O)cc1	185027703	SUEFNXOXTCAFHQ-CQSZACIVSA-N	312.413	3.301	10	20	DGCD	
COc1ccc([C@@H](C)N(C)Cc2cc3c(cc2O)OCO3)cc1	125833092	WBBBJEBOUPLDCA-GFCCVEGCSA-N	315.369	3.323	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2cccc(F)c2O1	185605386	YOWCZKLZISCYBC-MVIFTORASA-N	316.307	3.187	10	20	DGCD	
CCc1oc2ccccc2c1C(=O)NCc1ccc(O)c(O)c1	182510461	KEPYAYUXFVUQDU-UHFFFAOYSA-N	311.337	3.336	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2CCO[C@]3(CCSC3)C2)c1	186136224	IXMSDKDPYGHRFX-JKIFEVAISA-N	307.459	3.406	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc(C)ccc1O	185350523	YHNCRXRWUDNDHA-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
CO[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1	183247944	GEIIFPPOSGRCOX-LJQANCHMSA-N	324.424	3.291	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(F)cc1F	211998720	NJGIXZUBZKZRJB-MDWZMJQESA-N	308.353	3.421	10	20	DGCD	
CCc1cc(N(C)Cc2ccccc2O)nc(-c2ccncc2)n1	89635497	BZUYKEHOOCBBSS-UHFFFAOYSA-N	320.396	3.443	10	20	DGCD	
CCOc1ccc(N[C@H](C)c2cc(OC)ccc2O)cc1CO	193535035	STHSUCVQKNVPEP-GFCCVEGCSA-N	317.385	3.465	10	20	DGCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cccnc1	92739794	OKPWAXJNYVDHMK-HNNXBMFYSA-N	313.470	3.486	10	20	DGCD	
Nc1ccc(CC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1	237904482	VPCJXLBTOSMEKU-YLJYHZDGSA-N	324.424	3.095	10	20	DGCD	
CCc1nn(C)cc1NCc1cccc(Br)c1O	91070077	RJVBFZHFTUKFPD-UHFFFAOYSA-N	310.195	3.063	10	20	DGCD	
C[C@@H](CCN[C@@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	297126994	YUWSGZFQOUBFCK-GXTWGEPZSA-N	320.433	3.272	10	20	DGCD	
Cc1ccc2nc(CNCc3ccc(N(C)C)c(F)c3)cn2c1	264965593	PJVPCDLDZJNBPM-UHFFFAOYSA-N	312.392	3.138	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1	262359848	WFZXGJOHMWGKFC-KBPBESRZSA-N	314.351	3.296	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1	273463302	IMZFUKAJVSFDHZ-YJBOKZPZSA-N	324.424	3.152	10	20	DGCD	
CC[C@@H](NCCCC(=O)N(CC)CC)c1ccc(F)cc1O	285887351	ZVWYSKGYVCVVPF-OAHLLOKOSA-N	310.413	3.221	10	20	DGCD	
C[C@@H](NCc1ncccc1N(C)C)c1cc(Cl)ccc1O	289719034	JLWYUBCPEMSURU-LLVKDONJSA-N	305.809	3.357	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc1	289946475	UPUBXWLFXFXOPS-GFCCVEGCSA-N	306.303	3.049	10	20	DGCD	
CC[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(F)cc1O	286013621	JJTKDRYUHSQHNP-ZDUSSCGKSA-N	312.385	3.097	10	20	DGCD	
O=C(N[C@@H]1CCCc2sccc21)c1c(F)ccc(O)c1O	296432731	YOYVTNYXVHVPKV-SNVBAGLBSA-N	307.346	3.106	10	20	DGCD	
COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1ccccc1O	299498685	LEESIVMAHPHIAL-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCC2([S@](C)=O)CCC2)c1O	808719334	VYRSZQBDOMUZQE-GIPWTMENSA-N	315.866	3.306	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CC2(CCC2)[C@@H]1c1ccccc1	294199725	ORMRNJQYNKBCOQ-KRWDZBQOSA-N	309.365	3.465	10	20	DGCD	
CSC1(CN[C@H](C)c2ccc(N(C)C)cc2)CCN(C)CC1	810253227	ONNRCWCSWZFCBD-OAHLLOKOSA-N	321.534	3.231	10	20	DGCD	
COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(N)cc2)c1	818556264	GIYYMMMGHYNMJQ-GDBMZVCRSA-N	312.369	3.028	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2C[C@@H](C)n3ccnc32)c1O	825016328	ATFLSYAIIHGHHT-SKDRFNHKSA-N	307.781	3.046	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N=S(C)(C)=O)c1	825153233	BPBODSFHXFWLBR-UHFFFAOYSA-N	304.415	3.270	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](O)CNCc1cc(Cl)cc(F)c1O	827733921	RAWDONDLZSAAJH-BZNIZROVSA-N	323.795	3.439	10	20	DGCD	
CN(C)c1ccc(NC(=O)NCc2ccccc2O)cc1Cl	738936482	SVNAZMVQQBRIRQ-UHFFFAOYSA-N	319.792	3.433	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1CCCN(C)c2ccccc21	588518745	ODYKKJNIRFKCRK-HJWRWDBZSA-N	313.426	3.338	10	20	DGCD	
CCN1C(=O)/C(=C/c2cnc3ccc(Cl)cn23)SC1=S	737444721	SPBKYEPUGXBZGA-YHYXMXQVSA-N	323.830	3.209	10	20	DGCD	
COCCC1(C)CN(Cc2cccc(Br)c2O)C1	839143027	NTNCSZXWEXBBLS-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
CO[C@@H]1C[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C12CCC2	832208424	ACAMHAJXFAAOEN-HZPDHXFCSA-N	321.392	3.123	10	20	DGCD	
COc1ccc(CNC(=O)C2(C3CCCCC3)CC2)c(O)c1	907925172	DWQYOMGIAKFBLS-UHFFFAOYSA-N	303.402	3.378	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCCN(CC2CCCCC2)CC1	731870708	UTFXJQYWJZULAD-UHFFFAOYSA-N	322.474	3.182	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc2ccc(Cl)cc2[nH]1	748347187	YXNNWTVNQWUOJB-UHFFFAOYSA-N	300.745	3.457	10	20	DGCD	
CCOCc1cc(CN[C@@H](CC)[C@@H](O)C(C)C)ccc1OC	840966494	GNSVIJDSUHPCMM-WMZOPIPTSA-N	309.450	3.117	10	20	DGCD	
Nc1ccc(Cc2noc(C3C[C@@H]4CCC[C@H](C3)C4=O)n2)cc1	843161968	RUXVMQVYHVQNFL-PBWFPOADSA-N	311.385	3.105	10	20	DGCD	
Cc1ccc2c(c1)[C@H](NC(=O)NCCc1ccc(N)cc1)CCC2	841906915	JFDUDDSYSOPRET-LJQANCHMSA-N	323.440	3.497	10	20	DGCD	
O=C(CC(C1CCC1)C1CCC1)NCc1ccc(O)cc1O	910942632	GSUIYNBJRVFIGU-UHFFFAOYSA-N	303.402	3.321	10	20	DGCD	
COc1ccc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)cn1	840974950	ADUDIDPOVHNCNQ-HNNXBMFYSA-N	313.445	3.185	10	20	DGCD	
CCC[C@@H](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1	748604880	OFQCVOGYTQGHNR-OAHLLOKOSA-N	304.434	3.170	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCSC2)cc1	743691886	UYEZLSGKQDBHDC-OAHLLOKOSA-N	321.490	3.180	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)N[C@H](C)c1cccc(OC)c1O	846169323	GVBVYNFMRPNJKT-MNOVXSKESA-N	321.339	3.409	10	20	DGCD	
CC1CCC(=CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1	843297687	JQWRZFRZASMXBN-IBYPIGCZSA-N	315.461	3.005	10	20	DGCD	
Oc1c(Cl)cccc1CN1C[C@@H](O)C[C@H]1c1ccccc1	840958112	NOCJKOSOCYOZGS-HOCLYGCPSA-N	303.789	3.354	10	20	DGCD	
CCC[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OCC	858368911	PJAHNARWBGURRE-PBHICJAKSA-N	321.465	3.318	10	20	DGCD	
C[C@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)c2nccn21	858171764	CQDCJOPLTZEZDX-HZMBPMFUSA-N	306.360	3.023	10	20	DGCD	
C[C@H](NCCOc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1O	756447402	VWQWAZQBOVVNNK-NSHDSACASA-N	320.320	3.169	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2C=CCC2)cc1F	852083453	FUGJAJMAJVPANF-AWEZNQCLSA-N	305.397	3.190	10	20	DGCD	
CC(C)N(C)CC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	768926808	OAUMTROPTJPPDS-UHFFFAOYSA-N	321.484	3.444	10	20	DGCD	
Oc1cccc(Br)c1CNc1nnc(C2CC2)o1	865289812	FKUGRZDVTWTEPQ-UHFFFAOYSA-N	310.151	3.027	10	20	DGCD	
CCC1CCC(N(C)Cc2cc3c(cc2O)OC[C@H]3O)CC1	768440888	UYJAMULCGUBTFO-MKTAYPAQSA-N	305.418	3.219	10	20	DGCD	
CN1C(=O)/C(=C\c2nc3ccc(F)cc3s2)SC1=S	760989083	KQECHPLVHPJFRY-WEVVVXLNSA-N	310.400	3.266	10	20	DGCD	
C[C@@H](NC(=O)NCC1(C2CC2)CC1)c1ccc(N(C)C)cc1	773412634	AYIMGDWIDJPYNO-CYBMUJFWSA-N	301.434	3.303	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3cc(Cl)cc(F)c3O)CC[C@H]21	775742537	UUFGYCYROOJSLP-IAQYHMDHSA-N	312.816	3.101	10	20	DGCD	
CC(C)(NCc1cc(F)ccc1O)C(=O)Nc1ccccc1	779078038	NEPFDHHJBRHFTH-UHFFFAOYSA-N	302.349	3.038	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1C	775669175	TVXKLQOKJXQTTE-IRXDYDNUSA-N	301.478	3.059	10	20	DGCD	
Cc1cc(N(C)C)ccc1[C@H]1NC(=O)c2cc(F)c(F)cc2N1	877859730	IFMSWBSHDLVAAY-MRXNPFEDSA-N	317.339	3.193	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1ccc(F)cc1)c1c(O)cccc1F	886556937	NOHHCYSUANTGTP-DIFFPNOSSA-N	307.340	3.229	10	20	DGCD	
OCC[C@H](NCc1cc(F)cc(F)c1O)c1ccccc1F	883152630	BMISGFLYNUAKEF-HNNXBMFYSA-N	311.303	3.023	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)COC2(C)CCC2)cc1	772973652	BWLAHQUZXYORBJ-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
C[C@@](O)(CCNCc1cc(F)cc(F)c1O)c1ccccc1	883093734	FQONXOBTYJVRAF-QGZVFWFLSA-N	307.340	3.058	10	20	DGCD	
O=C(O)CCCN1CCCc2cc(OC(F)(F)F)ccc21	783728182	ANOSNRCREUWVIO-UHFFFAOYSA-N	303.280	3.203	10	20	DGCD	
COc1ccc(CN[C@H](c2ccccn2)C2CC2)c(O)c1OC	896609480	OHDWFUCNRXNJTK-INIZCTEOSA-N	314.385	3.045	10	20	DGCD	
NCCCN(Cc1ccccc1)Cc1cc(F)cc(F)c1O	708501487	GQVWHSPSUSFZOZ-UHFFFAOYSA-N	306.356	3.021	10	20	DGCD	
Oc1cc(Br)ccc1CNCCCOCC1CC1	691476253	JIEPRPOFIXQSLC-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
Cc1cc(-c2nnc([C@@H]3CCO[C@H]3C)o2)c(C)n1-c1ccccn1	1327071502	NHCWQFQHUQINAP-UONOGXRCSA-N	324.384	3.432	10	20	DGCD	
CCOC(=O)c1cnc(SCCC(=O)OC(C)(C)C)s1	1330663981	DJQWURNYAIXBAO-UHFFFAOYSA-N	317.432	3.144	10	20	DGCD	
C[C@@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1(F)F	1518875701	TYLIRRZXFDNXSK-ABAIWWIYSA-N	308.372	3.145	10	20	DGCD	
C[C@@H](NC(=O)[C@@H](CN)C1CCCCCC1)c1ccccc1O	1522341581	HBSWUTZOJOUCIY-CJNGLKHVSA-N	304.434	3.115	10	20	DGCD	
CCCC[C@H](N)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	1577400690	FEBVXASCKYVQKJ-KRWDZBQOSA-N	305.466	3.009	10	20	DGCD	
CN(CC[C@H]1CC1(Cl)Cl)c1ccc(OCC(=O)O)cc1	1598470718	QVOFIYYDBJSMOS-JTQLQIEISA-N	318.200	3.170	10	20	DGCD	
COC(=O)c1ccc(OCc2cc(C(=O)O)oc2C)c(Cl)c1	1598985769	OSIUGGQTEAYUII-UHFFFAOYSA-N	324.716	3.305	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C[C@H]3CC[C@H](C)C3)CC2)cc1	164248435	OCVOKZANSQNNET-HOTGVXAUSA-N	316.445	3.170	10	20	DGCD	
Oc1cccc(Cl)c1CNCCOC1CCSCC1	898442802	SCFILIBSIHPWKE-UHFFFAOYSA-N	301.839	3.047	10	20	DGCD	
CCn1c(C)nnc1CN(c1ccc(OC)cc1)[C@H](C)C1CC1	171937961	KKALVKITCZLVBT-CYBMUJFWSA-N	314.433	3.420	10	20	DGCD	
CC[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1	178182196	QPSQYJHJTSKGLK-SFHVURJKSA-N	311.429	3.092	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F	113418799	RDPNOCRWRLVFNI-LSDHHAIUSA-N	317.335	3.433	10	20	DGCD	
Cc1ccn(-c2ccc(N[C@H](C)c3ccc(N(C)C)cc3)nn2)n1	302393112	JUBSVTGVDLLBSV-CQSZACIVSA-N	322.416	3.210	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1F	174536585	SBZWRSJTBCZDBE-XYPHTWIQSA-N	306.425	3.185	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(F)c(F)cc2F)cc1	123952842	CHHMZUNXRVHHHX-UHFFFAOYSA-N	308.303	3.100	10	20	DGCD	
CC[C@@H](C)[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	182370187	UMRLELCZKKBZPK-HUUCEWRRSA-N	304.434	3.026	10	20	DGCD	
CCN(Cc1cc(Br)cc(OC)c1O)C1CC1	180100277	ZNQWJBDLYUITFK-UHFFFAOYSA-N	300.196	3.148	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C)c1nc(C)cc(O)n1	192607297	YGEGFORKTZDCPI-CYBMUJFWSA-N	301.390	3.169	10	20	DGCD	
CC(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1C	193703558	XALUHQHAAIMXFX-UHFFFAOYSA-N	310.397	3.194	10	20	DGCD	
C[C@@H]1[C@H](C(=O)NCc2cccc(Br)c2O)[C@@H]1C1CC1	529170894	MAPQNCOENCBMRG-HJIKLVIJSA-N	324.218	3.063	10	20	DGCD	
CC[C@H](NC1CCN(c2cc(C)n[nH]2)CC1)c1ccccc1O	275873295	JYPNXNNDZVTCCJ-INIZCTEOSA-N	314.433	3.133	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2c(C)c3ccccc3n2C)[C@@H]1SC	459506326	PQSHFBGKJMHIOC-OLMNPRSZSA-N	318.486	3.485	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)CCc2ccco2)c1O	278912452	SQSBQJTYDXKLNS-LLVKDONJSA-N	320.345	3.013	10	20	DGCD	
CCc1nc([C@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)n[nH]1	273542172	YPKKJHVBSZNZBR-NEPJUHHUSA-N	314.433	3.363	10	20	DGCD	
CC[C@@H](NCCc1nnc(C)s1)c1ccc(N(C)C)cc1	289714586	JGDQKYJXUSDTJK-OAHLLOKOSA-N	304.463	3.196	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1F	287729725	PBFYTKJCQPCQDW-BXUZGUMPSA-N	320.330	3.091	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(C2CCC2)c1	282880339	VJTNLJFEPYLYIQ-UHFFFAOYSA-N	311.381	3.338	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN2CC[C@H](CO)C2)cc1	294984638	XROHHVOCDKQQMG-INIZCTEOSA-N	316.470	3.199	10	20	DGCD	
C[C@@H](NC[C@@H]1COc2ccccc21)c1cc(F)cc(F)c1O	808727580	JJLNVZNBXKPGBU-GHMZBOCLSA-N	305.324	3.497	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)Nc2ccccn2)C2CC2)cc1	299188573	GPHRGPVCFLTPRW-UHFFFAOYSA-N	310.401	3.344	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@]1(C)CC1(F)F	817458242	WKFSYWFGZNUQBP-MLGOLLRUSA-N	310.388	3.154	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csc(C)c1C	819761403	PHICTNSAYIISMG-UHFFFAOYSA-N	310.415	3.486	10	20	DGCD	
CCOc1cccc(CN(C)[C@H]2C[C@H](OC)C23CCC3)c1O	825104256	SCXGJLZVQBKGLU-HOTGVXAUSA-N	305.418	3.180	10	20	DGCD	
C/C(=C/C(=O)NCCCSc1nccs1)c1ccco1	827475147	TXVVKRPSEBOBPQ-KHPPLWFESA-N	308.428	3.438	10	20	DGCD	
O=[N+]([O-])c1cc(CN2CC[C@H]3C[C@H]3C2)ccc1N1CCCCC1	827507011	RBJFPPPUDLILIG-HOTGVXAUSA-N	315.417	3.427	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1	733757617	OQVAICVUZGRGGQ-KZNAEPCWSA-N	316.445	3.059	10	20	DGCD	
C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1O	834907554	WNLZAQQURBQKHG-HRDYMLBCSA-N	317.216	3.004	10	20	DGCD	
Cc1ccc(-n2c(C)cc(C(=O)CSCCO)c2C)cc1	747836779	KCFOIFFUBNRYDU-UHFFFAOYSA-N	303.427	3.311	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)nc1C	840783594	LJLRQZUZLBZWCF-LBPRGKRZSA-N	301.346	3.163	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](CO)Cc1ccccc1	840931088	RXNQTYYMELVZSZ-SFHVURJKSA-N	312.457	3.002	10	20	DGCD	
CO[C@H]1C[C@@H](N(C)Cc2c(O)ccc3ccncc23)C12CCC2	840138059	CKOSAQLZHKUSFY-MSOLQXFVSA-N	312.413	3.330	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)N2CCC[C@@H](C)C2)cc1	747682434	KPTYSXQABRRCDA-OAHLLOKOSA-N	304.434	3.170	10	20	DGCD	
CCNCc1cccc(NCc2cc(OC)c(OC)cc2O)c1	841043226	OFNVCMRWEMUOBC-UHFFFAOYSA-N	316.401	3.131	10	20	DGCD	
O=C(Cc1cccnc1)N(Cc1ccco1)Cc1ccccc1O	743430131	CNZCSANFRBOHQE-UHFFFAOYSA-N	322.364	3.152	10	20	DGCD	
COc1cccc([C@@H](C)NCc2nn(C)c3ccccc23)c1O	846162434	HHWFOBGLFPOWFW-GFCCVEGCSA-N	311.385	3.138	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1CCSc2ccccc21	748458688	AXGSPLWGRPSUSQ-CQSZACIVSA-N	314.410	3.429	10	20	DGCD	
COc1cccc(F)c1C(=O)NCc1ccc(N(C)C)cc1C	746273294	WNTFYONZFNAMRU-UHFFFAOYSA-N	316.376	3.139	10	20	DGCD	
CCOC(=O)c1cccc(N(CC)C(=O)/C=C/c2cccnc2)c1	917874858	UHXCYKFCQPLHHU-ZHACJKMWSA-N	324.380	3.325	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H]([C@@H]3CCOC3)C2)c1	749799943	PZUYCYIFTWIBMD-UONOGXRCSA-N	319.445	3.254	10	20	DGCD	
CO[C@H](CC(C)C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	841347373	RNIFJVHNQJQGAL-CRAIPNDOSA-N	320.477	3.169	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C12CCC2	841298167	MZMJLFLQKAETNH-CABCVRRESA-N	303.406	3.080	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CCC[C@H](N)C3)cc2)CC1	848717975	DUXCKLHLJRMUTH-ROUUACIJSA-N	301.478	3.282	10	20	DGCD	
CCOC(=O)c1nc(CN(CC)c2ccc(OC)cc2)cs1	746109469	PVVULNJDDNNNBG-UHFFFAOYSA-N	320.414	3.355	10	20	DGCD	
COC(=O)COc1c(C)cc(CNc2ccc(N)cc2)cc1C	841040578	UJBZFBRMYNHZBH-UHFFFAOYSA-N	314.385	3.050	10	20	DGCD	
COc1ccc(COCCN(C)c2ccc(OC)c(F)c2)cc1	757853155	SXTHJYVKOPOLPB-UHFFFAOYSA-N	319.376	3.496	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CC3(CCCC3)c3ccccc32)cn1	751311050	FCLRZBKCOMULBN-HJWRWDBZSA-N	307.397	3.292	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccc3c(c2)OCCO3)cc1F	858102018	OBVAIEIGFFQUMJ-UHFFFAOYSA-N	320.339	3.414	10	20	DGCD	
COC[C@H](Cc1ccccc1)N[C@@H](C)c1cc(OC)ccc1O	756634594	AZUIFRGJPKRFOL-HOCLYGCPSA-N	315.413	3.309	10	20	DGCD	
O=[N+]([O-])c1ccc(NCc2cccc(Br)c2O)nc1	764935365	SCNUSYZRHARIAR-UHFFFAOYSA-N	324.134	3.070	10	20	DGCD	
C[C@@H](N[C@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1O	760049499	GLTOZTSXLBTOGS-RQJHMYQMSA-N	314.159	3.366	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H]2CCc3cc(O)ccc3C2)c1	767729937	WZLIVKXXHZXOLY-INIZCTEOSA-N	313.397	3.144	10	20	DGCD	
C[C@@H]1c2c(F)cccc2CCN1Cc1cc2c(cc1O)OCO2	769423849	IBOKQAVLIHJZQB-LLVKDONJSA-N	315.344	3.379	10	20	DGCD	
CC(C)CN(Cc1cc2c(cc1O)OC[C@H]2O)CC(C)(C)C	768461784	DOSPEHZXQBGNRG-MRXNPFEDSA-N	307.434	3.322	10	20	DGCD	
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N[C@H](C)c1ccccc1O	879648720	ASEAHWLHCRWWMA-RRFJBIMHSA-N	324.424	3.409	10	20	DGCD	
Cc1nc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)s1	773016819	CAMYPVXWEOQJBT-LLVKDONJSA-N	317.458	3.246	10	20	DGCD	
CN1CCN(c2ccc(CN3CC[C@H]3c3ccccc3)cc2)CC1	775634735	VUINDJRUAJNPIC-NRFANRHFSA-N	321.468	3.385	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCc2ccc(O)cc21)c1ccccc1O	875744252	YXMNXRJQFKXCFC-BDJLRTHQSA-N	312.369	3.146	10	20	DGCD	
Cc1cccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773089714	UREPQWYQKMDNCG-CQSZACIVSA-N	318.442	3.101	10	20	DGCD	
C[C@@H](N[C@@H](CCO)c1ccccc1F)c1c(O)cccc1F	886630307	ZNLQOIUMQPZPQV-ABAIWWIYSA-N	307.340	3.445	10	20	DGCD	
CCSCC[C@H](C)N(C)Cc1ccc(OC)c(OC)c1O	892204186	WFXTZHGMTNGIPD-LBPRGKRZSA-N	313.463	3.373	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(F)cc(F)c2O)cc1O	893974265	RFPSTRQITUAOJT-UHFFFAOYSA-N	309.312	3.017	10	20	DGCD	
Cc1ccc(C(=O)N2CCCc3sccc3C2)c(O)c1O	780934704	ZFWNZJKNNIPAKX-UHFFFAOYSA-N	303.383	3.056	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@@H](NCc2ccc(N(C)C)cc2C)[C@@H]1C	792977619	MMRXBNAEWWNXAE-RVKKMQEKSA-N	318.461	3.128	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1	708135323	ZQTNQWDJWSXBRY-QMMMGPOBSA-N	320.614	3.029	10	20	DGCD	
COc1ccc(O)c(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)c1	799719887	CDGVURVHXIPNSJ-ZDUSSCGKSA-N	308.381	3.139	10	20	DGCD	
COc1ccc(CNc2cncc(-c3ccccc3)n2)c(O)c1	795284326	KSJIPSZTTRFYIZ-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
C[C@@H]1O[C@H](C)C[C@H]1CNCc1cccc(Br)c1O	686514136	XMLMVTDIUWWHNG-SCVCMEIPSA-N	314.223	3.058	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc2n[nH]cc2c1)c1ccc(N(C)C)cc1	793855974	NLIREEIJVNHXOQ-CYBMUJFWSA-N	322.412	3.049	10	20	DGCD	
CCn1cccc(CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)c1=O	1326722210	WMIOJSBRFGEBGV-DZGCQCFKSA-N	312.413	3.220	10	20	DGCD	
COc1ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)c(O)c1OC	1351948530	MWYCGVVEMFCRQO-UONOGXRCSA-N	305.418	3.422	10	20	DGCD	
Cc1cc(CNCc2cc(Cl)cc(C)c2O)oc1C(=O)O	1600209559	ONFXLHLUXXLHMF-UHFFFAOYSA-N	309.749	3.243	10	20	DGCD	
N[C@@H]1CC[C@H](CN(Cc2ccco2)Cc2ccccc2O)C1	1580387583	NVGHHIRJMGHREV-GOEBONIOSA-N	300.402	3.115	10	20	DGCD	
CC(C)n1cc([C@H](C)N[C@@H](C)c2cc(C(=O)O)ccc2O)cn1	1593197405	JVPVOMOMWSTOBB-RYUDHWBXSA-N	317.389	3.280	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccc(CC(=O)O)cc2)cc1F	1777038254	BJIBLJMLOLLFNT-UHFFFAOYSA-N	320.339	3.270	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(F)cc2F)cc1	18174745	CKPCLRZBQIHSBM-UHFFFAOYSA-N	305.328	3.353	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1nccs1	157073855	PKQBNTTXSDQDNS-GFCCVEGCSA-N	319.430	3.088	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@H](C)C2)c1	103512967	MACLEXOCICBACQ-AVGNSLFASA-N	306.406	3.340	10	20	DGCD	
C[C@H]1[C@H](C)CCN1C(=O)NCc1ccc(N2CCCC2)cc1	178562507	CWYZXHYYTOIFNT-CABCVRRESA-N	301.434	3.227	10	20	DGCD	
COCCCOC1CCN(Cc2cc(C)c(C)cc2O)CC1	172914230	GHQMIOVUELWVPF-UHFFFAOYSA-N	307.434	3.027	10	20	DGCD	
CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C)c(O)c2O)C1	179525992	XQVIIBDPAPVKJH-NWDGAFQWSA-N	309.431	3.152	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])c(C)n1	301644726	HLUCGKSHHKWMBF-UHFFFAOYSA-N	300.362	3.285	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(F)cc1O	185350567	YXQFBZDFCINDKU-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@H](Nc3ccccc3)C2)c1	180488986	FGVQMQDADHOHTF-KRWDZBQOSA-N	312.413	3.477	10	20	DGCD	
CCOC[C@@H](NCc1cccc(Br)c1O)C(C)C	188869102	VUKISLAXCIGOHA-CYBMUJFWSA-N	316.239	3.305	10	20	DGCD	
CCCCc1nnc(NC(=O)N(C)Cc2ccccc2O)s1	47350721	UDGAIGDISMXKPW-UHFFFAOYSA-N	320.418	3.250	10	20	DGCD	
COC[C@@H]1CCCN(Cc2cccc(Br)c2O)C1	93337821	VIHSOTJCGBHHMO-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
Cc1onc(-c2cccnc2)c1C(=O)N1CCc2cccc(F)c21	355014649	JTMDSRQAXNGEQY-UHFFFAOYSA-N	323.327	3.387	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1	367701480	LBGHDDBRBPSHSX-ZDUSSCGKSA-N	323.742	3.325	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1c(C)ccn1C	282565511	UPXWNGDUVYIFGA-UHFFFAOYSA-N	300.402	3.482	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc(C3CC3)cc2)ccc1O	295971803	NNLJXYCQNFXJFU-UHFFFAOYSA-N	303.383	3.379	10	20	DGCD	
C[C@@H](NCC(C)(C)c1ccccn1)c1cc([N+](=O)[O-])ccc1O	296225405	ABMJDIFZJIRVMB-GFCCVEGCSA-N	315.373	3.324	10	20	DGCD	
C[C@H](O)CCNCc1ccc(N(C)Cc2cccs2)cc1	295592203	FGXIRPZACWHDBC-AWEZNQCLSA-N	304.459	3.245	10	20	DGCD	
O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cccc(O)c1O	819255279	XAIGKNPYJSMDIJ-XYPYZODXSA-N	317.772	3.427	10	20	DGCD	
CC(C)(C)c1n[nH]cc1C(=O)NCCCSc1nccs1	815590751	HZBGZUUKHIFTEW-UHFFFAOYSA-N	324.475	3.076	10	20	DGCD	
C[C@@H](NC[C@H]1NCCc2ccccc21)c1cc(F)ccc1O	817973372	DSHGVEVXCYEIFZ-SJKOYZFVSA-N	300.377	3.069	10	20	DGCD	
C[C@H](Cn1ccnc1)NCc1cc(-c2ccccc2)ccc1O	725847038	BGLXTMRFFXWTJA-OAHLLOKOSA-N	307.397	3.434	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](n3cccn3)C2)cc1F	812780380	CDBDXFZPBTXBFA-MRXNPFEDSA-N	316.424	3.315	10	20	DGCD	
COC(=O)[C@H]1CC12CCN(Cc1cc(Cl)c(C)cc1O)CC2	824819260	MWTDRGPGHRQIJY-CYBMUJFWSA-N	323.820	3.129	10	20	DGCD	
C[C@@H](NC(=O)[C@@](C)(O)[C@H](C)c1ccccc1)c1ccccc1O	827937220	OYRSUZGSENLSFC-LPMFXHHGSA-N	313.397	3.124	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1)c1ccc(N(C)C)cc1	839727727	DAUWPPYXTHEVHM-ZNZDAUKMSA-N	324.424	3.439	10	20	DGCD	
CCCCOCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	735632602	VLQZUVGREQJEGG-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
Cc1ccnc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	836406415	RLLKLCRQKMIGLH-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)COC1CCCC1	839917076	YPLLLTJGMJCSTL-OAHLLOKOSA-N	318.461	3.067	10	20	DGCD	
CCOc1ccc(O)c(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c1	830085389	VRXSHUOWUWSTFA-WQVCFCJDSA-N	319.401	3.009	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1C[C@@H](O)C[C@H]1c1ccccc1	840956715	CSLURHRDQUVURS-HOCLYGCPSA-N	321.779	3.493	10	20	DGCD	
COc1ccc([C@@H](CO)CN[C@@H](C)c2ccc(C)cc2O)cc1	840808812	MRILIEHZFBJMII-GOEBONIOSA-N	315.413	3.136	10	20	DGCD	
C[C@H](N[C@@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O	841764589	GWVNHXHJSIHCKP-GXSJLCMTSA-N	304.768	3.036	10	20	DGCD	
O=C(NCC1(c2ccccc2F)CCC1)c1cc(O)cs1	846655286	PNXLRHDRZKJGKM-UHFFFAOYSA-N	305.374	3.445	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1cc(C)n(C)n1	840894177	PMRBZZJMHGIMHV-HOCLYGCPSA-N	314.477	3.385	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCc3ccccc3NC2=O)c(O)c1	848559196	QLOVLAPNQUDHAC-CXAGYDPISA-N	310.397	3.305	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCCC(F)(F)C2)c1O	846014659	RSWILIJFXNOJPR-UHFFFAOYSA-N	306.696	3.185	10	20	DGCD	
Cc1cccc(C)c1NC(=O)CNCc1ccc2c(c1)CCCO2	921483905	ZABIZCBDCHZZFP-UHFFFAOYSA-N	324.424	3.357	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1C[C@H](O)C[C@H]1c1ccccc1	840958372	QEHOVOQHHRAPAK-DOMZBBRYSA-N	321.779	3.493	10	20	DGCD	
COC(=O)/C(C)=C\CN(C)c1ccc(-c2nccs2)cc1	846995821	PSMPHRSRDYTJMP-WQLSENKSSA-N	302.399	3.366	10	20	DGCD	
Cc1nc(CCNCc2ccc3c(c2)CCCO3)sc1C	921851262	MSOGRVUSLPHWIC-UHFFFAOYSA-N	302.443	3.417	10	20	DGCD	
C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1cc([N+](=O)[O-])ccc1O	757629702	FSKGFSNVQRZTEW-IINYFYTJSA-N	308.378	3.297	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1cc([N+](=O)[O-])ccc1O	756517146	WBYRNNFQJHRIIO-LLVKDONJSA-N	314.341	3.086	10	20	DGCD	
FC(F)(F)COCCCNCc1ccc2c(c1)CCCO2	921525546	TYPXRRMBAYTTES-UHFFFAOYSA-N	303.324	3.070	10	20	DGCD	
CCN(CCNCc1ccc(N(C)C)cc1)CCC(F)(F)F	755218989	BVNCIYZGKIVJRD-UHFFFAOYSA-N	317.399	3.117	10	20	DGCD	
C[C@H](Cn1cccn1)N[C@H](C)c1ccc(Br)cc1O	756671256	FXZAPFUSBOUYFN-GHMZBOCLSA-N	324.222	3.091	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)OC(C)(C)C	756659160	OCZPBJNHGVTXEP-GXFFZTMASA-N	324.377	3.071	10	20	DGCD	
C[C@@H](NCC(F)(F)Br)c1ccc(N(C)C)cc1	851950292	NIRWCCZUISUCRR-SECBINFHSA-N	307.182	3.391	10	20	DGCD	
C[C@H](Cc1cnccn1)N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756495861	SQQSVZFFSGZCMC-GYSYKLTISA-N	301.365	3.090	10	20	DGCD	
Cc1cc(C(=O)CN(C)Cc2cnc[nH]2)c(C)n1-c1ccccc1	852284727	RRJWQIPVMZGJKF-UHFFFAOYSA-N	322.412	3.132	10	20	DGCD	
COC(=O)N(C)CCN[C@H](C)c1ccc(Cl)c(Cl)c1O	850548000	MFXLVPASEUNERJ-MRVPVSSYSA-N	321.204	3.048	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1	860240515	AXRQEXINMWODND-NDCLTGCFSA-N	323.392	3.164	10	20	DGCD	
CN(C)c1cc(F)c(CN(C)[C@@H](CO)c2ccccc2)cc1F	862384429	YXQDEMFGCVBMOK-SFHVURJKSA-N	320.383	3.196	10	20	DGCD	
Cc1conc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	864949350	JBISOEWCHYKKQM-UHFFFAOYSA-N	301.390	3.100	10	20	DGCD	
CCOc1cccc(CN2CCOc3cc(F)ccc3C2)c1O	862551718	YDYGOXUAXDMFOT-UHFFFAOYSA-N	317.360	3.325	10	20	DGCD	
C[C@H]1CC(F)(F)CCN1C(=O)NCc1ccc(N(C)C)cc1	863506580	DOBDDYBRMDABFU-LBPRGKRZSA-N	311.376	3.082	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C)C1)c1ccc(N2CCCCCC2)cc1	765769482	KUJGFBGWBMYCOX-FUHWJXTLSA-N	301.478	3.422	10	20	DGCD	
COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2O)cc1	879648601	VRJUHOXNCRRVID-OLZOCXBDSA-N	314.385	3.079	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)Cc2cccc(O)c2)c(O)c1	776174998	UPTPQIQERDPLJB-ZDUSSCGKSA-N	301.386	3.217	10	20	DGCD	
Cc1ccc2nc(CN3CCOc4cc(N(C)C)ccc43)cn2c1	774758173	AIQAAHOLSGSVNO-UHFFFAOYSA-N	322.412	3.108	10	20	DGCD	
C[C@H](NCCCOC(C)(C)C)c1ccc(N2CCOCC2)cc1	775258237	VBGIGYCXQADBPO-INIZCTEOSA-N	320.477	3.379	10	20	DGCD	
CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)c1cc(Cl)ccc1O	775496612	KNDDVHKJZNWWDG-ZWNOBZJWSA-N	312.841	3.390	10	20	DGCD	
CC[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1	773017140	UJHMQONJNASWMZ-UKPHBRMFSA-N	304.434	3.135	10	20	DGCD	
Cc1ccc(CCNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1	773196856	GNYGTGPSASZSOJ-AWEZNQCLSA-N	315.417	3.257	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1CCOc2c(Cl)cccc21	784073194	JQLFOPWAEAOACV-WAYWQWQTSA-N	314.772	3.482	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]2CCC[C@H]1C2	893053402	MRIGHVCJGNBKTL-YOEHRIQHSA-N	301.434	3.145	10	20	DGCD	
CC[C@@H](NCc1cn(C)cn1)c1ccc(C(F)(F)F)cc1O	898043722	YYZIACAIHJHULR-CYBMUJFWSA-N	313.323	3.385	10	20	DGCD	
CC[C@H](COCC(F)(F)F)NCc1cc(C)cc(OC)c1O	894874891	YPRJGNZVDQOGEB-GFCCVEGCSA-N	321.339	3.156	10	20	DGCD	
CCOCCCNCc1ccc(N(C)C)cc1C(F)(F)F	792893468	BVAFLBBWMOYEEP-UHFFFAOYSA-N	304.356	3.288	10	20	DGCD	
CCC1=C(C(=O)NCc2ccc(N(C)C)cc2C)CCCO1	790648788	RTXGLQQOAOZMPI-UHFFFAOYSA-N	302.418	3.152	10	20	DGCD	
COc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]2C)c(O)c1OC	894140236	BAHIXMHHTCAAGH-KOLCDFICSA-N	319.323	3.182	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3cccc(F)c3o2)c(O)c1	794390580	MCFWBWSMWZNRCK-UHFFFAOYSA-N	315.300	3.216	10	20	DGCD	
C[C@H]1C[C@@H](CNCc2ccc(Br)cc2O)CCO1	691488046	KJBCAAHHWIRDAZ-QWRGUYRKSA-N	314.223	3.059	10	20	DGCD	
Cn1cc(-c2ccc(CNCc3ccc4c(c3)CCO4)cc2)cn1	1326828336	QPNDOTPLWXFWQP-UHFFFAOYSA-N	319.408	3.312	10	20	DGCD	
Cc1ncc2c(n1)CC[C@@H](NCc1ccc(N3CCCC3)cc1)C2	1251723975	GIXHGRKZFAGYEQ-GOSISDBHSA-N	322.456	3.032	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1Cc2ccccc2[C@H]1N	1336077222	HZMQZVOXDMFSHC-DKIXSGTJSA-N	308.425	3.463	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1	1343318125	JATQNBBIERVNBV-UHFFFAOYSA-N	318.461	3.416	10	20	DGCD	
COc1ccc(F)c(CN[C@@H](C)c2cc(C(=O)O)ccc2O)c1	1599581582	VGUKCOMJNHBSBX-JTQLQIEISA-N	319.332	3.089	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c[nH]c2ccccc12	18150454	MQHMMNCZFRVLBA-UHFFFAOYSA-N	321.424	3.435	10	20	DGCD	
Nc1ccc(CC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1	158800249	TYVCMYFRLSITRQ-MRXNPFEDSA-N	312.388	3.042	10	20	DGCD	
COc1ccc(OCCCC(=O)Nc2ccc(N)cc2)cc1	20327194	LKMKNLBJBDHAIJ-UHFFFAOYSA-N	300.358	3.075	10	20	DGCD	
CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C)c(O)c1	170699459	RRQSUHBJLMCZSN-KRWDZBQOSA-N	312.369	3.377	10	20	DGCD	
COc1cccc(CNC(=O)c2cc(C)c3ccccc3n2)c1O	105651232	PVLIVYPQJAZXGN-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
C[C@H](N[C@H](C)c1ccncc1)c1ccc(N2CCOCC2)cc1	174007955	SEXPYJUXNPIKLN-JKSUJKDBSA-N	311.429	3.330	10	20	DGCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1ccccn1	177724190	WWGXKQQDDSXHDR-LLVKDONJSA-N	322.459	3.081	10	20	DGCD	
CC(C)[C@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	172229941	TXUGYWVUWSOMKU-GOEBONIOSA-N	305.418	3.192	10	20	DGCD	
CCC1(CC)[C@@H](N(C)C(=O)c2ccc(C)c(O)c2O)C[C@H]1OC	182825009	LBYYUVCEAFQYKR-UONOGXRCSA-N	321.417	3.072	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ccc(OC3COC3)cc2)c1	188655809	SIOVIHNANSDWAO-LBPRGKRZSA-N	315.369	3.352	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1NC	319980011	DIOFJMHKNLXOJN-UHFFFAOYSA-N	311.429	3.457	10	20	DGCD	
C[C@H]1CC[C@@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)C1	132482546	FOMLPAOJANRBLM-UONOGXRCSA-N	302.418	3.304	10	20	DGCD	
Cc1ccc(C[C@H](C)NCc2cc3c(cc2O)OCO3)s1	80228379	KXXAJUZSUXHFJF-JTQLQIEISA-N	305.399	3.212	10	20	DGCD	
COC[C@@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@@H](C)O1	190219216	MQJZEDXUZGUWAE-ZBFHGGJFSA-N	307.434	3.060	10	20	DGCD	
Cc1ccc(C)c(SCC(=O)NCCc2ccc(N)cc2)c1	237659100	JNBQNJOIHZZBJO-UHFFFAOYSA-N	314.454	3.337	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N(Cc1ccco1)c1ccccn1	255758461	YVRGRXUMFUHLSZ-SREVYHEPSA-N	323.327	3.455	10	20	DGCD	
Cc1cccc(CNC(=O)NCc2c(C)c3ccccc3n2C)n1	527456534	SOBNHEUALWYHTQ-UHFFFAOYSA-N	322.412	3.190	10	20	DGCD	
C[C@H](NCc1ccn(C)c1)c1cc(Br)ccc1O	273370067	CGFGKKUGHZIVLL-JTQLQIEISA-N	309.207	3.344	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1	363859965	SVYLAVFDNZMQOT-XYZKALLWSA-N	305.418	3.255	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3ccc(N)cc3)cc2)CC1	272717126	MARMYXUYMMWVCT-UHFFFAOYSA-N	323.440	3.435	10	20	DGCD	
Cc1ccn(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	275824072	QPYZBIDHUHYIHR-UHFFFAOYSA-N	311.429	3.204	10	20	DGCD	
C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccccc1O	272874285	PKWAPZYIANDPDX-LBPRGKRZSA-N	305.399	3.110	10	20	DGCD	
Cc1cc(Br)cc(CNC[C@@H]2CCSC2)c1O	280591729	XORMHQOHTSZUJG-JTQLQIEISA-N	316.264	3.306	10	20	DGCD	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1	385955714	WCHUAEUDIBBASL-LLVKDONJSA-N	301.312	3.464	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCSC(C)C	287945862	GJCNSNXAFNALPV-UHFFFAOYSA-N	310.463	3.455	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](Cc2ccccc2)OC)c1	294715935	FAXYHOVQYQINGA-PBHICJAKSA-N	315.413	3.309	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)CC2	296883264	OFXLXUWDLKAWPN-GOEBONIOSA-N	321.779	3.495	10	20	DGCD	
CCCCN(Cc1ccccc1O)c1cc(C)nc(COC)n1	800887563	XMRZMINBQODCKH-UHFFFAOYSA-N	315.417	3.444	10	20	DGCD	
COCCOc1ccc(CN[C@H]2CCc3cccc(O)c32)cc1	295986910	NOPHAJKFHMOOJH-KRWDZBQOSA-N	313.397	3.195	10	20	DGCD	
CCc1ccc([C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)cc1	294408376	FDTMLKKLHDEUSH-OAHLLOKOSA-N	311.381	3.290	10	20	DGCD	
O=C(NCc1ccccc1O)NC[C@H]1CCCCC(F)(F)C1	291931888	SKEHSRSZWWBRQM-LBPRGKRZSA-N	312.360	3.407	10	20	DGCD	
CC[C@H](NCc1cnn(C)c1)c1ccc(C(F)(F)F)cc1O	810212413	ARLVHNAXJOOXBY-ZDUSSCGKSA-N	313.323	3.385	10	20	DGCD	
C=Cc1ccc(CCNC(=O)N(C)Cc2ccccc2O)cc1	813201233	RFMBNVUYXQWQHC-UHFFFAOYSA-N	310.397	3.419	10	20	DGCD	
Oc1ccccc1[C@@H](CCc1ccccc1)N[C@H]1CCCNC1	817942111	WTVRFSKNTMIUPH-PKOBYXMFSA-N	310.441	3.408	10	20	DGCD	
Cc1ccc([C@H](C)N2C(=O)CN(Cc3ccccc3O)C2=O)cc1	819165955	IOUKUXBBEDFUTN-AWEZNQCLSA-N	324.380	3.226	10	20	DGCD	
OC[C@@H]1CN(Cc2cc(F)ccc2O)CC[C@@H]1c1ccccc1	827197258	YFKDAQZHBXMEPO-FUHWJXTLSA-N	315.388	3.129	10	20	DGCD	
Nc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c(O)c1	827593559	DNAROGDUZKBPRT-UHFFFAOYSA-N	311.385	3.217	10	20	DGCD	
CS[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1	824683844	XKEHJTKLJLDREA-GFCCVEGCSA-N	316.264	3.400	10	20	DGCD	
Oc1c(Cl)cccc1CNCc1cccnc1N1CCCC1	826899916	ZIRQHWRYYONAKH-UHFFFAOYSA-N	317.820	3.331	10	20	DGCD	
CC[C@H](N[C@@H]1Cc2ccccc2[C@H]1N)c1ccc(F)cc1O	902433322	JGXNXFRGSTYCEN-LZLYRXPVSA-N	300.377	3.197	10	20	DGCD	
COc1cc(Br)cc(CNC[C@H]2CC2(C)C)c1O	732821187	WGQMUHDVIFIZPS-SNVBAGLBSA-N	314.223	3.299	10	20	DGCD	
CC[C@@H](CO)N(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	833337474	PWNICJJTSRYJND-INIZCTEOSA-N	314.429	3.245	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCOC(C)(C)C2)c1	834913051	YXQVEDUPUMRXLJ-OLZOCXBDSA-N	321.417	3.035	10	20	DGCD	
O=C(NC[C@@H]1SCCc2ccccc21)c1cc(O)cs1	749543153	AUPYMPSFNFPKDW-AWEZNQCLSA-N	305.424	3.214	10	20	DGCD	
COC(=O)c1csc(COc2ccc(N3CCCC3)cc2)n1	842033981	LMAMIVRDOMLXNF-UHFFFAOYSA-N	318.398	3.109	10	20	DGCD	
COc1cccc([C@@H](C)NCC[C@H](C)N2CCCCC2)c1O	846166099	SENLVUPPUOGSDF-LSDHHAIUSA-N	306.450	3.316	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@](C)(O)C(C)C	743713732	VACQHQPSQUWLMN-QGZVFWFLSA-N	320.458	3.292	10	20	DGCD	
CCOc1ccc(O)c(CNCCc2ncc(C)cc2C)c1	848564492	NOIOUZQVIGBMIU-UHFFFAOYSA-N	300.402	3.135	10	20	DGCD	
C[C@H](NCC[C@@]1(O)CCCOC1)c1ccc2ccccc2c1O	846211920	ISAONSJKMQOKHG-LIRRHRJNSA-N	315.413	3.128	10	20	DGCD	
C[C@@H](NC[C@H](O)COc1ccccc1)c1ccc(Cl)cc1O	841745513	ZDZOSOKRIWXNIH-OCCSQVGLSA-N	321.804	3.136	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](O)c2cccc(C)c2)c1O	846156602	NHSIUHCISVCJGD-CJNGLKHVSA-N	301.386	3.093	10	20	DGCD	
CCOc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c(O)c1	840956103	AWWBLKDFEPLMET-WMZOPIPTSA-N	313.397	3.099	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]([C@H]3CCCNC3)C2)c1O	843127250	PBTIIIGFNADPBC-HOTGVXAUSA-N	318.461	3.003	10	20	DGCD	
C[C@@H](CCCC(F)(F)F)NC(=O)/C=C\c1ccc(O)c(O)c1	757647140	OIGNTXBRAPDXGN-BXKUYDPTSA-N	317.307	3.348	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@]2(O)CCc3ccccc32)c(O)c1C	756771522	XPELVJRYZAVPQN-YWZLYKJASA-N	311.425	3.494	10	20	DGCD	
COc1cc(CNC[C@H](OC)C(C)C)c(O)c(C(C)(C)C)c1	850167429	FWZLCVCAUNOUNK-INIZCTEOSA-N	309.450	3.459	10	20	DGCD	
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@H](C)c1ccccc1O	868516447	IIOXAAYWRDRPBI-KMFMINBZSA-N	320.433	3.346	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC)cc2)c(F)c1	864031864	UCHTZIOKXJUJLK-UHFFFAOYSA-N	303.333	3.257	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCCC2)cc1)[C@H](O)C(F)(F)F	1116425119	TYNGBRSIEAQIFB-GJZGRUSLSA-N	316.367	3.078	10	20	DGCD	
CCC[C@@H](O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C	762423269	IBJVSCQZGUQOLQ-MRXNPFEDSA-N	314.429	3.293	10	20	DGCD	
COc1ccc(CNCC(C)(C)SC)cc1Cn1cccn1	873066432	WHWBNSLWBRQFOL-UHFFFAOYSA-N	319.474	3.171	10	20	DGCD	
CO[C@@H](CN(C)c1ccc(OC(C)C)cc1)C1CCOCC1	877477812	HRHUQNFJWINBHC-SFHVURJKSA-N	307.434	3.352	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccccc1O	875401560	BXQOJAITHZMJRW-PSVFENSKSA-N	322.408	3.481	10	20	DGCD	
CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc(O)cs1	771417363	HWDMHZFXUASBNA-XPTSAGLGSA-N	309.362	3.099	10	20	DGCD	
CC[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1O	775487697	NVFQUCUOSGHKMQ-GDBMZVCRSA-N	318.804	3.313	10	20	DGCD	
CN(CC[C@H]1CCCCN1C)Cc1cc(Cl)cc(F)c1O	775717053	QKLGDDRDWJNDTD-CQSZACIVSA-N	314.832	3.491	10	20	DGCD	
Cc1ccc2c(CCNC(=O)c3ccc(C)c(O)c3O)c[nH]c2c1	780916973	NSJRIMOFTLFROD-UHFFFAOYSA-N	324.380	3.168	10	20	DGCD	
C[C@H](COCC1CCCCC1)NC(=O)NCc1ccc(N)cc1	1120559967	AJDGTRRNCCIJEE-CQSZACIVSA-N	319.449	3.053	10	20	DGCD	
CN(Cc1cc2ccccc2o1)C(=O)c1c(F)ccc(O)c1O	789988960	CQFUJHGKPVLVEO-UHFFFAOYSA-N	315.300	3.255	10	20	DGCD	
CCOC(=O)[C@H](C)N(Cc1cc(Cl)cc(F)c1O)C1CC1	787440572	IWLUNSAKZGBATP-VIFPVBQESA-N	315.772	3.101	10	20	DGCD	
CN1C[C@H]2CN(Cc3cc(-c4ccccc4)ccc3O)C[C@H]2C1	787305723	NUJQOAYIPXOYRP-KDURUIRLSA-N	308.425	3.053	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1c[nH]nc1-c1cccnc1	780766090	DTTJOBVLGXISNL-UHFFFAOYSA-N	320.396	3.433	10	20	DGCD	
CC[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1O	794818596	VRGOKIYMONDCNP-WMZOPIPTSA-N	317.404	3.484	10	20	DGCD	
CCN(CCO)C(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1317789261	QNNCFNGKRRJFIP-UHFFFAOYSA-N	320.820	3.202	10	20	DGCD	
COC(=O)CN(Cc1cc(Cl)cc(Cl)c1O)CC(C)C	1254019123	QUKQEWVJKYEISY-UHFFFAOYSA-N	320.216	3.330	10	20	DGCD	
O=C(O)[C@@H]1CCCCCN1Cc1cc(Cl)c(F)cc1O	1601817642	VZGKOPOPNADEMC-LBPRGKRZSA-N	301.745	3.014	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1ccc(C(=O)O)[nH]1	1599628886	ZHICNCAPQQOBMS-UHFFFAOYSA-N	300.358	3.064	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@]3(C)CCOC3)c2C)c1	157621476	CETVDXYARBKWEX-IBGZPJMESA-N	312.413	3.311	10	20	DGCD	
CO[C@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1	115281431	QWHSWDYKULLWIG-SFHVURJKSA-N	312.413	3.065	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C)ccc2C)c1	114564254	QYWIYQUNBAIHNG-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
COc1ccc(O)c(CN(C)CCOc2ccccc2F)c1	179620482	QDKPZDOZFKGPPY-UHFFFAOYSA-N	305.349	3.051	10	20	DGCD	
Cc1ccc([N+](=O)[O-])c(NCCCSc2nccs2)n1	125953131	GWFFUXLGVGTRHF-UHFFFAOYSA-N	310.404	3.349	10	20	DGCD	
NC(=O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cc1	120138544	UFPKBEXTWUMONH-UHFFFAOYSA-N	309.413	3.388	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2ccncc2)cc1	31728842	ITUVGFGOTHALGO-SFHVURJKSA-N	324.428	3.194	10	20	DGCD	
Cc1cccc(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21	188905774	FWBOAEVWSRVMHC-UHFFFAOYSA-N	310.397	3.409	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)nc(Cl)c2)c1	132321253	JIJKCRBLNVLIRR-JTQLQIEISA-N	320.776	3.249	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccnc1	48068124	OHEKXUOUFIXSKJ-HNNXBMFYSA-N	324.428	3.242	10	20	DGCD	
COc1ccccc1OCCN(C)Cc1cc(C)ccc1O	91900159	FZRBCRMLKVHXOJ-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
CCCN(CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1ccccc1O	246166473	BSZIVUABQAQARJ-HZPDHXFCSA-N	318.461	3.109	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	273502019	QGNFCWKFVCEKRI-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
C[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1O	276979723	VQEPXGAVOQTMHA-RHSMWYFYSA-N	316.445	3.367	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCO1	282378659	CORLXKPZGTWDHX-INIZCTEOSA-N	305.418	3.480	10	20	DGCD	
CC[C@@H](NCCCn1nc(C)cc1C)c1ccc(F)cc1O	285494253	CFHFOUKCWAIAPP-MRXNPFEDSA-N	305.397	3.476	10	20	DGCD	
COc1ccc2oc(CNCc3cccc(OC)c3O)cc2c1	809739248	CHYFAUHLPBOONJ-UHFFFAOYSA-N	313.353	3.445	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3CCC34CCC4)C2)cc1	818342100	LOUYAKKCLVVXTL-CRAIPNDOSA-N	300.446	3.444	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](C2CCCC2)C1	817636844	TZYPLKDCBOFVJW-LYASGUKUSA-N	301.386	3.150	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H](F)C(F)(F)F	811529662	PDRDXAAGMLVTPL-MRVPVSSYSA-N	320.069	3.216	10	20	DGCD	
OC[C@H](NCc1cc(Cl)c(F)cc1O)C1CCCCC1	816554274	UAAQGMINRCWFOW-AWEZNQCLSA-N	301.789	3.216	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2C[C@H]3C=C[C@H]2CC3)c1O	817409416	BJMAPIDENWUYDJ-OBJOEFQTSA-N	318.373	3.001	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1	827166667	JXKVYQSXUNHRNV-LSDHHAIUSA-N	317.335	3.399	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]1c1ccccc1	827316432	AWXPPPKCIXAOFU-HZPDHXFCSA-N	311.381	3.298	10	20	DGCD	
CC[C@@H]1C[C@@H](NC2CCN(c3ccc(OC)cc3)CC2)CCO1	823757190	IPGZCAOENTUNEK-FUHWJXTLSA-N	318.461	3.211	10	20	DGCD	
c1cc([C@@H]2C[C@H](NCc3ccc4c(c3)CCO4)CCO2)ccn1	824948268	QBORXCSUZYSEEH-MJGOQNOKSA-N	310.397	3.026	10	20	DGCD	
Cc1cc(Cl)cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1O	588407647	VTLGUDLQPLBHGS-HYXAFXHYSA-N	319.744	3.417	10	20	DGCD	
CC[C@H](C)Oc1cc(/C=C2/SC(=S)NC2=O)ccc1OC	749452883	QMZOPILILVUZPV-ITTMYVLYSA-N	323.439	3.361	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCN(C)[C@@H](C)C1	840892567	BANNPEGDYXNGQR-XYJFISCASA-N	303.494	3.064	10	20	DGCD	
C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccoc1	840761418	WOURSINOAPCNOT-LBPRGKRZSA-N	322.355	3.245	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)c1O	846143617	JWOGBGDGYNTWBL-QXSJWSMHSA-N	320.477	3.418	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H]2CCCN(C(C)C)C2)c1O	846143238	CWAYKMOVKWXOHJ-LSDHHAIUSA-N	306.450	3.172	10	20	DGCD	
C[C@H](NCc1csc(N(C)C)n1)c1ccc(Cl)cc1O	841753960	GRUUHANNJCLKHR-VIFPVBQESA-N	311.838	3.419	10	20	DGCD	
CC[C@@H](NC(=O)NCc1cc(OC)ccc1O)[C@H]1CC1(C)C	842180489	OZWDDMXACJLVGU-ZIAGYGMSSA-N	306.406	3.025	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]([C@@H]2CCNC2)C1	843125282	QRYGGMYOOSYJNT-VXGBXAGGSA-N	312.816	3.006	10	20	DGCD	
C[C@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O	846205957	LUSXQWLAYNPKGT-KBPBESRZSA-N	324.424	3.207	10	20	DGCD	
CCc1cccc(CNC[C@@](C)(O)c2cc(C)oc2C)c1O	848897614	KJHHVKLWGVVDEO-GOSISDBHSA-N	303.402	3.162	10	20	DGCD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)NCCc2ccc(N)cc2)o1	841718996	YEEYSFMLSPMLRS-BLLLJJGKSA-N	313.401	3.027	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H]3[C@@H](N)CCC[C@H]3C2)cc1	843057390	CXGVBKWHQQDRJB-UHOSZYNNSA-N	301.478	3.092	10	20	DGCD	
C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1	754549449	DACPOXFMTFJSRR-NSHDSACASA-N	319.360	3.447	10	20	DGCD	
CCOc1ccc(O)c(CNCc2cc(COC)cs2)c1	850377821	PDVRPQLRLAIWJN-UHFFFAOYSA-N	307.415	3.289	10	20	DGCD	
COc1cc(CNC[C@H]2CCCC[C@@H]2O)c(O)c(C(C)(C)C)c1	850155268	RNHAMUBHVBFVAG-DYVFJYSZSA-N	321.461	3.339	10	20	DGCD	
C[C@H](Nc1cccc2c1OCO2)c1cc([N+](=O)[O-])ccc1O	757656483	ALTXNYSKQABKNY-VIFPVBQESA-N	302.286	3.202	10	20	DGCD	
CN(CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2	756654863	ZGEUWQSYLGTYJS-UHFFFAOYSA-N	300.314	3.002	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2nnc(C)n2C)c1	753130077	NZADCICBWAFEKV-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
CC[C@H](NCc1cc(Br)cc(OC)c1O)C1CC1	850382345	SGIHSRZVCUKVDD-LBPRGKRZSA-N	314.223	3.442	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@]1(C)CCOc2ccccc21	934705408	ZXXMBJJLPDIRMH-IBGZPJMESA-N	311.381	3.091	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2CCO[C@H]2C)c(C)n1-c1ccccc1	863165738	MLSGPVJVYBPAKV-YJBOKZPZSA-N	312.413	3.135	10	20	DGCD	
CC(C)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1	768320250	RRSDGSOVWOQJKW-KRWDZBQOSA-N	306.425	3.283	10	20	DGCD	
Cc1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c(O)c1	876811574	LIILZWLXWIVCGA-CRAIPNDOSA-N	300.446	3.149	10	20	DGCD	
C[C@H](NC(=O)NCc1cccs1)c1ccc(N(C)C)cc1	773113007	NQCCNYNYGBAHMP-LBPRGKRZSA-N	303.431	3.375	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cnn(C(F)F)c1	772483787	STYWWOGTNCXZKP-UHFFFAOYSA-N	324.331	3.428	10	20	DGCD	
Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	773017579	FNAXRRBUZUSUIH-SNVBAGLBSA-N	303.431	3.317	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCC[C@@H](C)C2)c1O	774972871	DKJZKVSJNQYGLJ-VXGBXAGGSA-N	308.378	3.225	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F	886526374	LHOPDKCAWGOSDP-VXGBXAGGSA-N	324.396	3.191	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C	776126288	AWGXRMBSORLITC-RHSMWYFYSA-N	315.461	3.399	10	20	DGCD	
CCOc1ccc(N(C)CCCCCS(=O)(=O)CC)cc1	789327780	UHDMOOCMCXSUNZ-UHFFFAOYSA-N	313.463	3.127	10	20	DGCD	
C[C@H](NCC(C)(C)CCO)c1cccc(C(F)(F)F)c1O	788608329	FJKRGUNSECQKGB-JTQLQIEISA-N	305.340	3.470	10	20	DGCD	
COC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H]1C	787421493	SGNGOPDWTUHEML-YJBOKZPZSA-N	316.445	3.060	10	20	DGCD	
C[C@H](N[C@@H]1CCCC[C@H]1O)c1cccc(C(F)(F)F)c1O	788607660	LYFYOKCYXBNCON-ZWKOPEQDSA-N	303.324	3.365	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@@H](C)NC(=O)CC(C)C)cc1C	1133591355	VQVISDJWQAWAKI-HZPDHXFCSA-N	320.477	3.423	10	20	DGCD	
COc1cc(C)cc(CNCCC2CCN(C(C)C)CC2)c1O	895447591	YQRUANXEASLWLB-UHFFFAOYSA-N	320.477	3.309	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl	793612065	IZIKSCIWSROINQ-UONOGXRCSA-N	316.228	3.417	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC(F)(F)C1	794928657	YRBBDINLOCTGHT-CQSZACIVSA-N	308.372	3.338	10	20	DGCD	
CCN(CC)c1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1	793394374	FHQCPIUHEGMGBD-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
COc1ccc(CNCc2cc3ccccc3nc2OC)c(O)c1	793386237	JGYHYJBNHCTRAX-UHFFFAOYSA-N	324.380	3.247	10	20	DGCD	
CC[C@@H](C)[C@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792977525	XZKRAIHRLKSZSQ-IAQYHMDHSA-N	318.383	3.268	10	20	DGCD	
CC[C@@H](NC[C@@H](CO)CC1CCOCC1)c1ccc(C)cc1O	1322454775	FKJGBCQFCXLRLC-FUHWJXTLSA-N	321.461	3.167	10	20	DGCD	
CCC(=O)CNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1254997436	RJYUEYDBPDIHIF-UHFFFAOYSA-N	318.804	3.456	10	20	DGCD	
CO[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	1336439863	WRKAQJPDWHUOTA-ZWKOTPCHSA-N	318.461	3.305	10	20	DGCD	
CCc1ncoc1C(=O)NCc1ccc(N(CC)CC)cc1	1262603556	MSABKABWQWZNPZ-UHFFFAOYSA-N	301.390	3.013	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21)C(C)C	1344437764	JANMFPYTEUAZDB-IYOUNJFTSA-N	318.461	3.341	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cccc(F)c1C(C)=O	1605881036	AEWUJSYCTIQIIJ-UHFFFAOYSA-N	306.289	3.461	10	20	DGCD	
O=C(O)CC[C@H](NCc1ccc(F)c(F)c1O)c1ccccc1	1601972993	SMKAUABEVGRENU-AWEZNQCLSA-N	321.323	3.366	10	20	DGCD	
CC(F)(F)c1ccccc1CNCc1ccc(C(=O)O)cc1O	1776447862	OZBVLAVXCVASIA-UHFFFAOYSA-N	321.323	3.492	10	20	DGCD	
CN(C)c1ccc(CN[C@H](C(=O)O)[C@@H]2CCc3ccccc32)cc1	1777039630	BSIGSLHNALGMPC-MOPGFXCFSA-N	324.424	3.025	10	20	DGCD	
O=C(CCc1ccc(Cl)s1)NCc1ccc(O)c(O)c1	159132988	OMUUNGVEYARBDR-UHFFFAOYSA-N	311.790	3.062	10	20	DGCD	
Oc1c(Br)cccc1CN[C@H]1CCc2cccnc21	894571594	SUFKUNYXNSTMPS-ZDUSSCGKSA-N	319.202	3.327	10	20	DGCD	
CCCCCCN(C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O	111608338	GRJCTEGBRYNFEJ-AWEZNQCLSA-N	322.449	3.090	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(NC(N)=O)cc1)c1cc(F)ccc1O	176985397	MPBLSABUNJLDLM-MNOVXSKESA-N	317.364	3.434	10	20	DGCD	
Cc1ccc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1	69913456	VQNKREDBCRBWMP-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
COc1cc(N(C)Cc2cccc(C)c2O)cc(OC)c1OC	180755908	VVIIFAGZZXWWLX-UHFFFAOYSA-N	317.385	3.363	10	20	DGCD	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc3ccccc3c1O)CC2	185317773	DGFQQSVSVKMFHR-DOMZBBRYSA-N	322.412	3.111	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCCN(CC(C)C)C2)c1	186142528	IZIKNLMRWCXNOZ-JKSUJKDBSA-N	320.477	3.419	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@H](c3cccc(F)c3)C2)cc1	92975471	WJFXPQYKYIQVOE-IBGZPJMESA-N	314.404	3.465	10	20	DGCD	
CCCOc1ccc(CN2CC[C@H](CN(C)CCC)C2)c(O)c1	93742340	BQSPBLJIZBMYDX-MRXNPFEDSA-N	320.477	3.345	10	20	DGCD	
Oc1cccc(Cl)c1CNC1CCN(CC(F)(F)F)CC1	264996354	YKEKHVPAUVNMSZ-UHFFFAOYSA-N	322.758	3.162	10	20	DGCD	
Cc1nc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cs1	264659546	YNLQKNRGNDAHLV-CYBMUJFWSA-N	317.458	3.139	10	20	DGCD	
CCc1nc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cs1	273620531	YUNWEUUMELXAKC-SNVBAGLBSA-N	321.402	3.213	10	20	DGCD	
CN(Cc1cnc([C@@H]2CCCO2)s1)Cc1ccccc1O	271120242	HGBHQNNTGGXGCZ-HNNXBMFYSA-N	304.415	3.332	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCc3nc(O)ccc32)c1	273621462	ZDWWRKJKRFTZKZ-IAQYHMDHSA-N	314.385	3.230	10	20	DGCD	
CC[C@H](NC1CCN(CC2CC2)CC1)c1ccc(F)cc1O	286342025	YIYFAZODUJSCAP-KRWDZBQOSA-N	306.425	3.446	10	20	DGCD	
Cc1cccc(CNc2cnn(C3CCOCC3)c2C)c1O	295146954	QRHSSLNFWRSKQT-UHFFFAOYSA-N	301.390	3.169	10	20	DGCD	
CCCN1CCC[C@H]1CNCc1cc(Cl)cc(OC)c1O	809716542	WMGPRTCHLSXOBA-AWEZNQCLSA-N	312.841	3.018	10	20	DGCD	
CCOc1cc(CNCc2ccccc2O)cc(Cl)c1O	298564432	WIFFLEJZZKQWNJ-UHFFFAOYSA-N	307.777	3.440	10	20	DGCD	
C[C@@H](NCc1cc(Cl)cc(F)c1O)[C@H](O)c1ccccc1	809786742	JYBKEOMHBUEHND-BMIGLBTASA-N	309.768	3.396	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CC[C@@H]3C3CC3)cc2F)CC1	806133285	KUABYQHDDRENSP-AEFFLSMTSA-N	318.436	3.065	10	20	DGCD	
COc1ccc(N(C[C@@H](O)c2cccnc2)[C@@H](C)C2CC2)cc1	294951326	MOIKPYOLIOQISP-IFXJQAMLSA-N	312.413	3.429	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C	815057649	WHZDQAACGPYWBQ-WMZOPIPTSA-N	303.494	3.366	10	20	DGCD	
CC[C@@H](NCc1nn(CC)nc1C)c1cccc(Cl)c1O	818347191	YBOQQXLAGJNSEO-CYBMUJFWSA-N	308.813	3.206	10	20	DGCD	
C[C@@H](C1CCCCC1)N1C(=O)CN(Cc2ccccc2O)C1=O	819166621	ZFBCTNMZVHKRIQ-ZDUSSCGKSA-N	316.401	3.125	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)nc1)N1CCOCc2ccccc21	492703466	IJDWPEIDGFDTDB-SOFGYWHQSA-N	314.772	3.312	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NOCC1CCC1	824111770	MLGFGRWZJVRIDQ-CQSZACIVSA-N	319.449	3.023	10	20	DGCD	
O=C(Nc1cccnc1N1CCCCC1)c1cc(O)cs1	823159317	QQVOLMREMKJEEX-UHFFFAOYSA-N	303.387	3.091	10	20	DGCD	
CCn1ccnc1CN(Cc1ccco1)Cc1ccccc1O	732202526	VBBNCJCLNLDHHS-UHFFFAOYSA-N	311.385	3.404	10	20	DGCD	
CC[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1	836244272	QIOKRLTUUAFTLO-CVEARBPZSA-N	301.434	3.132	10	20	DGCD	
CCC(C)(C)OCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	836406081	PRBXCSCSOUFDPC-AWEZNQCLSA-N	321.465	3.318	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@H]1CCCCO1	839918929	DRLGOHQBMHFOJN-MAUKXSAKSA-N	318.461	3.067	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc(N(C)CC)cc1)C(C)C	834878512	DVCFFXRINCWGED-QAPCUYQASA-N	319.493	3.296	10	20	DGCD	
CCC1(NCC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1	830777913	GFBKDPVCIRHXPE-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
Oc1cccc2c1[C@H](NCCc1nnc(-c3ccccc3)o1)CC2	834688671	DAITWPDBROLBPH-OAHLLOKOSA-N	321.380	3.262	10	20	DGCD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1	841788207	DPELOVWKVPZHPZ-NVXWUHKLSA-N	303.450	3.325	10	20	DGCD	
CCCN(Cc1c(O)ccc(Cl)c1F)C1CCNCC1	843045383	WBLBJYLFZCIFGI-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
Cc1cccc(C)c1OC[C@H](C)NC(=O)Nc1ccc(N)cc1	841301490	RAYFWXHXPODQLP-AWEZNQCLSA-N	313.401	3.475	10	20	DGCD	
CO[C@H](CNCc1cc(Br)ccc1O)CC(C)C	841888052	CVXFLGZSJRCZDK-ZDUSSCGKSA-N	316.239	3.305	10	20	DGCD	
CCN(CCNCc1cc(C)c(C)cc1O)CCC(F)(F)F	755220758	QIGILHJBOXHFHS-UHFFFAOYSA-N	318.383	3.373	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCSC(F)(F)F)c1	756443007	RQVDYVTXOZLHMN-QMMMGPOBSA-N	323.336	3.082	10	20	DGCD	
CCOCCN[C@@H](C)c1cc(Br)cc(Cl)c1O	756416554	HUOIJOODFJWYCG-QMMMGPOBSA-N	322.630	3.495	10	20	DGCD	
C[C@@H]1Cc2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc2O1	854271959	XBSNJTISZVWNHS-CYBMUJFWSA-N	310.397	3.006	10	20	DGCD	
C[C@@H]1C[C@@H](NCCOCC(F)(F)F)c2c(O)ccc(F)c21	756467944	AXBNFMOACGVLGA-PSASIEDQSA-N	307.287	3.248	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCCc2ccccc21)c1ccc(F)cc1O	756561749	HQGDEZHMVSVLLW-YJYMSZOUSA-N	315.388	3.406	10	20	DGCD	
Cc1cccc([C@@H](O)CN[C@H](C)c2cc(F)cc(F)c2O)c1	756762750	RAHWXZPBWGQJSC-BZNIZROVSA-N	307.340	3.363	10	20	DGCD	
CCOc1ccc(CN(CCCN)c2cccc(F)c2)c(O)c1	753590388	MWSSGNUFEJWMCB-UHFFFAOYSA-N	318.392	3.285	10	20	DGCD	
CC(C)Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)s1	934943210	GMAGQKNWEWVECL-UHFFFAOYSA-N	305.399	3.288	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C(F)(F)F)O1	769497561	QZAPBZQQNISMCA-QMTHXVAHSA-N	320.330	3.043	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]2CN2CCCCC2)c(O)c1	768936445	DEBVAHXTRPBUBC-KRWDZBQOSA-N	318.461	3.241	10	20	DGCD	
CCCN1C(=O)N(Cc2ccc(N(C)C)cc2C)C(=O)[C@H]1CC	761359771	VAJYLPOHHYONSW-MRXNPFEDSA-N	317.433	3.014	10	20	DGCD	
CO[C@@H](C)C(=O)Nc1cccc(NCc2c(C)cccc2O)c1	876823601	NTMGOYXKOIXRTI-ZDUSSCGKSA-N	314.385	3.286	10	20	DGCD	
CN(CC1CC1)C[C@@H]1CCN(Cc2cccc(Cl)c2O)C1	775725981	NOGIVDPSFGBICA-AWEZNQCLSA-N	308.853	3.209	10	20	DGCD	
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)NCc1ccccc1O	770827624	FXSKQVXMPZOGDS-MAZHCROVSA-N	320.433	3.031	10	20	DGCD	
CC(C)(O)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	877795850	XVJYBFLGVGQZOQ-LLVKDONJSA-N	301.789	3.168	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCCC[C@H]1C	773744867	FLUGWYMZKOMURS-UMVBOHGHSA-N	305.418	3.361	10	20	DGCD	
CC[C@H](NCCOc1ncccc1F)c1ccc(N(C)C)cc1	773083689	NKMDJQLGMOCCAY-KRWDZBQOSA-N	317.408	3.406	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(Cc2ccccc2)CCC1	779532350	NLNNBASZVUSCKJ-NTMALXAHSA-N	323.392	3.393	10	20	DGCD	
C[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1c(O)cccc1F	886632850	HRXXXQSEOOIPJQ-ABAIWWIYSA-N	314.360	3.135	10	20	DGCD	
COC1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	780347645	OGIBNERVWDTLJU-UHFFFAOYSA-N	316.445	3.108	10	20	DGCD	
COc1ccc(CNC2CCC(OC(C)C)CC2)c(O)c1OC	893182678	PDGOWDVCPGFCHZ-UHFFFAOYSA-N	323.433	3.235	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC2(CCOCC2)[C@H]1C1CC1	894862852	IYYYQWODHPMBMB-MRXNPFEDSA-N	309.356	3.061	10	20	DGCD	
CC[C@@H](NCc1cc(C)cc(OC)c1O)[C@H](O)c1ccccc1	895476122	FUCLOIPIKOYTCY-SJLPKXTDSA-N	315.413	3.311	10	20	DGCD	
CC(C)c1ncc(CN(C)Cc2cc(F)cc(F)c2O)cn1	894660384	NMGPSGNVPYZQSK-UHFFFAOYSA-N	307.344	3.216	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@H]2CCCC2(C)C)cc1C	1132544044	OWMAHORZPFMFNK-MRXNPFEDSA-N	318.461	3.036	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCC1(O)CCCCCC1	790966606	MVXQTMJAZDNOMD-UHFFFAOYSA-N	301.789	3.360	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](C)c2cccc(Cl)c2)c(O)c1	794387709	KDLFJZXHWHPDIR-LLVKDONJSA-N	319.788	3.474	10	20	DGCD	
O=C(NC/C=C/C1CC1)NCc1c(O)ccc2c1CCCC2	1324734993	JIOUHOBEHOPEQX-ONEGZZNKSA-N	300.402	3.036	10	20	DGCD	
CN(C)[C@H]1CCCC[C@H]1NCc1c(O)ccc(Cl)c1F	1338928169	CCFZCXNOVOOZOM-OLZOCXBDSA-N	300.805	3.147	10	20	DGCD	
O=C(C1CCN(Cc2cc(F)cc(F)c2O)CC1)C(F)(F)F	1334358300	JMRUVHSNGASOAL-UHFFFAOYSA-N	323.261	3.014	10	20	DGCD	
C[C@@H](NC(=O)NCCCc1ccsc1)c1ccccc1O	1341745934	YQOINUPPLJIGES-GFCCVEGCSA-N	304.415	3.447	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1	1261377031	GEXAFTDNHBNLQK-JKSUJKDBSA-N	301.434	3.033	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)[C@@H](Cc2ccccc2)C(=O)O)c1	1600464648	HIGUMJXUHQMHIJ-WMLDXEAASA-N	313.397	3.122	10	20	DGCD	
C[C@H](N[C@H](C)COc1ccccc1)c1cc(C(=O)O)ccc1O	1592782806	MBPSHKDUXAPRPV-OLZOCXBDSA-N	315.369	3.209	10	20	DGCD	
CN(Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1	154468067	HRVRHNXMEICZLG-UHFFFAOYSA-N	314.404	3.294	10	20	DGCD	
CC(=O)OC1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1	156850479	UVEGCTIZKMYXDE-UHFFFAOYSA-N	305.418	3.352	10	20	DGCD	
CC[C@@H](NCc1cnn(C)c1)c1cc(Br)ccc1O	41158858	AOHFEXPHHNLQIL-CYBMUJFWSA-N	324.222	3.129	10	20	DGCD	
Oc1ccc(Br)cc1CNCCC[C@@H]1CCOC1	402337552	VMTGOXHSEYJBNJ-LLVKDONJSA-N	314.223	3.061	10	20	DGCD	
C[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccc(F)cc2O1	173519990	PQFXSKJCVJFPDK-DGXRNCNBSA-N	316.307	3.187	10	20	DGCD	
CCCCN(C)CC1CCN(Cc2cc(OC)ccc2O)CC1	179685208	RYGLLKSNJUJXTG-UHFFFAOYSA-N	320.477	3.345	10	20	DGCD	
Cc1ccc(O)c(CN2CCO[C@H](c3ccc(F)cc3)C2)c1	179429425	AIQPCNSPOAJBAU-SFHVURJKSA-N	301.361	3.413	10	20	DGCD	
COc1cccc(CNCc2cn(-c3ccccc3)nc2C)c1O	114217021	QVBFWWSUVHGKJU-UHFFFAOYSA-N	323.396	3.185	10	20	DGCD	
COc1ccc(N(C)CCOc2cccc(F)c2)cc1OC	63617380	QUFUCZNKXNKZJV-UHFFFAOYSA-N	305.349	3.358	10	20	DGCD	
CC(C)(C)Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)[nH]n1	180812972	VXPOGWBZAGVRRN-FNORWQNLSA-N	315.373	3.061	10	20	DGCD	
COC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCCC1	184839470	WVFYQAQBOTVZKA-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CN(CCCN(C)Cc1ccccc1O)Cc1ccccc1O	77284302	CPEVUSCRQYVXCK-UHFFFAOYSA-N	314.429	3.052	10	20	DGCD	
C=Cc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	191866458	IGIVVZLUGNMTGP-UHFFFAOYSA-N	322.408	3.301	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCc1ccc(F)c(F)c1	190359375	DANLOJAEYQFXPJ-UHFFFAOYSA-N	320.339	3.055	10	20	DGCD	
C[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	47036094	JCXYGTZWFHFQAT-HOCLYGCPSA-N	303.450	3.473	10	20	DGCD	
C[C@H](Nc1ncccc1F)c1ccc(N2CCOCC2)cc1	84484954	CTNLAFPUDQPOFR-ZDUSSCGKSA-N	301.365	3.230	10	20	DGCD	
CCOC(=O)CC[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1	92073520	GRIIZLRZZOMALO-INIZCTEOSA-N	318.461	3.308	10	20	DGCD	
C[C@H](NC[C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O	273427528	UQCMOPPVOFCQLN-GXTWGEPZSA-N	321.367	3.172	10	20	DGCD	
CCOCc1cc(CNC[C@@H]2CCCSC2)ccc1OC	288357192	CQFKIGQEIPMRIU-HNNXBMFYSA-N	309.475	3.465	10	20	DGCD	
CSCCCN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C	281184629	CIDVQGYRYUJFJW-UHFFFAOYSA-N	317.458	3.314	10	20	DGCD	
CC(C)CC(=O)N1CCC(N[C@H]2CCc3cccc(O)c32)CC1	297613703	IPOACQGZUGFTJN-INIZCTEOSA-N	316.445	3.006	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]3CN(C)CC[C@H]32)cc1	809767351	INHYXCFYTYQDRW-AZUAARDMSA-N	315.505	3.449	10	20	DGCD	
COC(=O)CCC[C@@H]1CCC[C@@H](NCCc2ccc(N)cc2)C1	817957865	PZYCOVLFKFHBMK-FUHWJXTLSA-N	318.461	3.303	10	20	DGCD	
CCCN(CC)C[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1O	810262305	OJCSKVUDFYVQDN-NEPJUHHUSA-N	300.393	3.441	10	20	DGCD	
CCN(CCOc1ccccc1C)C(=O)c1cc(O)cs1	817769844	VYMJXMGNGYXGIO-UHFFFAOYSA-N	305.399	3.303	10	20	DGCD	
C[C@H](O)C[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1O	816594942	UDHVTCIPOQMTHF-CMPLNLGQSA-N	301.789	3.310	10	20	DGCD	
OCCOCc1ccc(NCc2c(O)cccc2Cl)cc1	818233415	MBXNUKDEHANVAU-UHFFFAOYSA-N	307.777	3.167	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3cccc(F)c3)C2)cc1	818221396	RTAHJJVACLBLEH-MRXNPFEDSA-N	314.404	3.450	10	20	DGCD	
CCC[C@@H](CC)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	823776140	KVAHRPLWHOUILC-HZPDHXFCSA-N	318.461	3.464	10	20	DGCD	
C[C@@H](NC(=O)CCc1ncc(C(C)(C)C)o1)c1ccccc1O	827941679	VXWBYZBCCFGZLR-GFCCVEGCSA-N	316.401	3.488	10	20	DGCD	
Cc1cc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1	903449641	YYANMBCZEXWNKR-KBXCAEBGSA-N	316.449	3.003	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N(C)C3CC(C)(C)C3)ccc21	838031526	JFWLVDFZNVXBIK-UHFFFAOYSA-N	315.461	3.399	10	20	DGCD	
COc1cc(Cl)cc(CNCCc2ccc(C)cn2)c1O	835064604	GHQAEWYNEOKRPG-UHFFFAOYSA-N	306.793	3.090	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O	831322634	XJMSASLOJFWCBS-XYPHTWIQSA-N	321.392	3.027	10	20	DGCD	
O=C(CSC1CC1)NCc1cc(Cl)cc(Cl)c1O	832059813	RQJYJEWBYJWOMQ-UHFFFAOYSA-N	306.214	3.211	10	20	DGCD	
CC[C@H](C)[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OC	836407462	ZXMRPXJRTDCKKJ-JJRVBVJISA-N	321.465	3.174	10	20	DGCD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1ccc(O)cc1O	910957613	SWSZZOZIRIKSFW-HNNXBMFYSA-N	313.397	3.291	10	20	DGCD	
C[C@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	840878952	AHRPAUOPAYETQO-AAEUAGOBSA-N	307.340	3.097	10	20	DGCD	
CCCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(N)cc1	843386821	NMLFSQCUDMOTOY-UHFFFAOYSA-N	300.377	3.389	10	20	DGCD	
CC[C@@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O	846206272	OYXNBHSREYCYJM-XHDPSFHLSA-N	322.836	3.097	10	20	DGCD	
Nc1ccc(NC(=O)N2CCOC3(CCCCCC3)C2)cc1	841297852	IYRBPGWIZOKILE-UHFFFAOYSA-N	303.406	3.226	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](O)[C@@H](C)c2ccccc2)c1O	850571767	AFCMEQVGFSMWCF-ZQIUZPCESA-N	315.413	3.216	10	20	DGCD	
O=C(NCc1ccccc1O)c1cncc(-c2ccccc2)c1	758279594	MOKICULWVJNZSP-UHFFFAOYSA-N	304.349	3.384	10	20	DGCD	
CCCC[C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856213534	POCHTNQLLIKXMI-HNNXBMFYSA-N	318.461	3.090	10	20	DGCD	
CCCc1ccc(C(=O)NCc2cccc(OC)c2O)s1	866763166	IKLZZZHKNGRSHN-UHFFFAOYSA-N	305.399	3.345	10	20	DGCD	
COc1cccc(-c2n[nH]cc2CN(C)Cc2ccccc2O)c1	768872299	GSLXLKBSHMWMMH-UHFFFAOYSA-N	323.396	3.423	10	20	DGCD	
CN=[S@](C)(=O)c1cccc(NCc2cccc(C)c2O)c1	864014234	NEQYAVXQJBSPHZ-OAQYLSRUSA-N	304.415	3.399	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(CCO)CC2)cc1F	768237391	QTSYEGNDFQIOQD-UHFFFAOYSA-N	308.441	3.266	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C3CC3)C2)cc1	763480257	ZZQJJDRYRWVWKJ-QGZVFWFLSA-N	315.461	3.474	10	20	DGCD	
CC[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1O	775522679	XNLIHDSFQGZFPA-IRXDYDNUSA-N	316.445	3.367	10	20	DGCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CC1(C)C	877643126	ADRUNLPGENJQON-INIZCTEOSA-N	302.462	3.126	10	20	DGCD	
CC[C@H](C)n1nc(C(=O)NCc2ccc(N(C)C)cc2)cc1C	777903799	CSPBQGSRZNKHDH-ZDUSSCGKSA-N	314.433	3.159	10	20	DGCD	
CC(=O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21	878088384	NPDVVDWZLUOFLE-UHFFFAOYSA-N	318.417	3.053	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(N(C)C)cc1	776268652	FDCVQZZKGQCQPD-CQSZACIVSA-N	311.429	3.310	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCOC[C@H]2C)cc1	773141974	VEQGOAYZJMBSSM-MRXNPFEDSA-N	312.413	3.345	10	20	DGCD	
COc1cccc([C@@H](CNCc2ccc(C)cc2O)N(C)C)c1	876886031	SYQJEPPWJGDINI-GOSISDBHSA-N	314.429	3.102	10	20	DGCD	
CCOc1ccc(CN(C)Cc2cc(Cl)cn2C)c(O)c1	770304964	ODRNLVQGVCZCRL-UHFFFAOYSA-N	308.809	3.415	10	20	DGCD	
C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(N(C)C)cc1	773017969	JPUCFKKZOUEVBP-AWEZNQCLSA-N	322.408	3.406	10	20	DGCD	
C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)c1c(O)cccc1F	886547544	NBKJJMXDPSHKNI-HEHGZKQESA-N	303.377	3.347	10	20	DGCD	
COC(=O)CCc1cccc(NCc2cc(OC)ccc2O)c1	786580088	XPZLYQCQLMDZGM-UHFFFAOYSA-N	315.369	3.119	10	20	DGCD	
C[C@@H](NC[C@H](O)CCc1ccccc1)c1c(O)cccc1F	886588706	XSCIHDKLIHXGKH-UKRRQHHQSA-N	303.377	3.176	10	20	DGCD	
CC(C)[C@@H](NCc1cc(F)ccc1O)[C@H](O)c1ccccc1	789778213	GNZDGCZSYGOTEJ-QZTJIDSGSA-N	303.377	3.379	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC2CN(C(=O)OC(C)(C)C)C2)c(O)c1	788627825	MXRFHKSWSGANFG-CYBMUJFWSA-N	320.433	3.279	10	20	DGCD	
Oc1c(Br)cccc1CNc1cccc2c1OCO2	782382294	USAJZOWVLKWBML-UHFFFAOYSA-N	322.158	3.496	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2cc(C)cc(OC)c2O)C12CCC2	894267604	BAMJZJKHQFVESI-HOTGVXAUSA-N	305.418	3.147	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@]3(CCN(C)C3)C2)cc1C(C)C	793743189	HTTUDJNKGCXELA-IBGZPJMESA-N	302.462	3.352	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN1Cc1ccccc1)c1ccc(F)cc1O	716177298	MYURXIFNKRWCPQ-PBHICJAKSA-N	314.404	3.456	10	20	DGCD	
COC1(CC(=O)NCc2ccc(N3CCCCC3)cc2)CCC1	790523100	JMRNGWFCBJCYMG-UHFFFAOYSA-N	316.445	3.252	10	20	DGCD	
CCN(C)c1ccc(Cn2cc(C(=O)C(C)(C)C)nn2)cc1	1262027199	VQFMMXKBRBOKBP-UHFFFAOYSA-N	300.406	3.011	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCOC1CCOCC1	1342407973	KVBGZHYUFAHFFO-ZBFHGGJFSA-N	319.445	3.424	10	20	DGCD	
Cc1noc(C)c1CCC(=O)Nc1c(Cl)ccc2nonc12	1261140204	LEBSFDDWTQLZAV-UHFFFAOYSA-N	320.736	3.052	10	20	DGCD	
COc1cc(CN(CC(=O)O)CC(C)C)c(O)c(C(C)(C)C)c1	1599406022	RACJOHTVGVHYDS-UHFFFAOYSA-N	323.433	3.241	10	20	DGCD	
O=C(O)[C@@H]1CN(Cc2cccc(Cl)c2O)Cc2ccccc21	1594951297	FUHHOAIZIUMEJI-CQSZACIVSA-N	317.772	3.230	10	20	DGCD	
COc1ccc(CN[C@@H](CC(=O)O)c2ccc(C)o2)cc1C	1777363012	KNDVYOHTIBTGSX-AWEZNQCLSA-N	303.358	3.211	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)cc1	163625337	VCDANFXPEDOFOH-KGLIPLIRSA-N	305.466	3.097	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccccc2C(C)=O)c1	153938705	OXUGHDZLLNAIAP-LLVKDONJSA-N	313.353	3.094	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)c3cncs3)CC2)cc1	157390678	VQUNMZBJSMMHCG-ZDUSSCGKSA-N	317.458	3.471	10	20	DGCD	
Cc1ccc(O)c(CN[C@@]2(C)CCN(Cc3ccccc3)C2)c1	406135050	MTVSYSMLQPTYDF-FQEVSTJZSA-N	310.441	3.455	10	20	DGCD	
CCC[C@@H]1CN(Cc2ccc(Br)cc2O)CCO1	709022280	UWASKAPDQDUIEZ-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1CCc2cccc(O)c21	389854502	YNSWJNCBMVAJPH-LZQZEXGQSA-N	322.452	3.490	10	20	DGCD	
O=C1CCc2cc([N+](=O)[O-])c(Sc3nccs3)cc2N1	170639888	GOWFMEIXQMHVPC-UHFFFAOYSA-N	307.356	3.087	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCOC(C)(C)C3)c2c1	29546675	IHUCFRYZOXPIKY-UHFFFAOYSA-N	301.386	3.165	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC2CCOCC2)c1C	64997575	LSAFXTWSORMLHY-UHFFFAOYSA-N	312.413	3.311	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccn(C)n3)c2C)cc1	69897342	DKIIEJRZIQXXGL-UHFFFAOYSA-N	324.384	3.089	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)COC(C)(C)C)cc1F	181728850	RMWCCUHVWVZPBE-UHFFFAOYSA-N	310.413	3.103	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1CCCO1	46784462	LXGSDIAXJYMHPQ-SFHVURJKSA-N	316.445	3.204	10	20	DGCD	
C[C@@H]1CC[C@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)C1	132481948	FOMLPAOJANRBLM-KGLIPLIRSA-N	302.418	3.304	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC1CC(OCC)C1	190640411	MOHWRVRHIHLJEY-UHFFFAOYSA-N	305.418	3.336	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c(O)c1	93585848	UEOLBHNXZRYZMN-APWZRJJASA-N	319.445	3.308	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1nc(C(C)(C)C)no1	237589494	HSBHMBMBRYOOIJ-NSHDSACASA-N	301.390	3.153	10	20	DGCD	
O=C(CN1CCOCC1)Nc1ccc(N=Nc2ccccc2)cc1	254597951	QXJPOQLVKPVYJS-UHFFFAOYSA-N	324.384	3.373	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCCO1	269326711	BIKJYHSQZCUSPK-QGZVFWFLSA-N	304.434	3.059	10	20	DGCD	
COc1ccc(O)c(CN[C@H]2COc3c(Cl)cccc32)c1	362033756	VHHROUVGMSMSCN-AWEZNQCLSA-N	305.761	3.278	10	20	DGCD	
CCC(O)(CC)CCNCc1cc(Cl)cc(OC)c1O	276377672	LACGQYQWKPTNMO-UHFFFAOYSA-N	301.814	3.085	10	20	DGCD	
CCOCc1cc(CNCC2(C)CCN(C)CC2)ccc1OC	272505072	GZGHUOQIDYNXFZ-UHFFFAOYSA-N	320.477	3.053	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@]3(C)[C@@H](C2)C3(Cl)Cl)c1	284267096	GRTAHIVDFASVKA-ZIAGYGMSSA-N	316.228	3.417	10	20	DGCD	
C[C@H](N[C@@H]1CCc2c[nH]nc2C1)c1cc2c(cc1O)CCCC2	370397819	OHHSYNIFKDYKCA-BLLLJJGKSA-N	311.429	3.202	10	20	DGCD	
C[C@H](CO)CCCNCc1ccc(N(C)C)cc1C(F)(F)F	280164072	FUFMHRFNUSBHHL-LBPRGKRZSA-N	318.383	3.270	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1	290452491	MLXQQZYLPVEZGJ-MRXNPFEDSA-N	315.417	3.468	10	20	DGCD	
C[C@H](CN[C@H](C)c1ccc(Br)cc1O)CN(C)C	293714115	PBZZJOZPAABSEJ-GHMZBOCLSA-N	315.255	3.003	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C1CCSCC1	807839093	WSSYGYKLDRKTNQ-UHFFFAOYSA-N	320.241	3.458	10	20	DGCD	
Cc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(C)o1	293492801	YGZSSQQUKPXIKF-UHFFFAOYSA-N	315.417	3.408	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC(CF)CC2)c1O	294910559	ADIGDQQDUWRACN-UHFFFAOYSA-N	302.733	3.135	10	20	DGCD	
CC[C@H](NCCN1CCC1)c1ccc(C(F)(F)F)cc1O	810227332	BZOIGTKUWMNTEG-ZDUSSCGKSA-N	302.340	3.157	10	20	DGCD	
C[C@@H](CCCN)N[C@H](C)c1cc(Br)c(F)cc1O	817977931	RSJUTCAHTCRBAE-DTWKUNHWSA-N	319.218	3.072	10	20	DGCD	
CC(C)N(C(=O)COc1ccc(N(C)C)cc1)C1CCCC1	810000886	QFULJLWKBWIJIG-UHFFFAOYSA-N	304.434	3.311	10	20	DGCD	
CC[C@H](NCc1ccc2c(c1)CNC2)c1ccc(F)cc1O	817969739	ZBLOJKWNRWOGPM-KRWDZBQOSA-N	300.377	3.375	10	20	DGCD	
Cc1ccc2c(c1)/C(=C/c1cn3cc(C)ccc3n1)C(=O)N2C	811700209	IKQQXAJMQFQSNG-SXGWCWSVSA-N	303.365	3.468	10	20	DGCD	
Cc1cc(NC(=O)N(C)Cc2ccccc2O)nn1C(C)C	817359350	QPJHJMCZDGYCJV-UHFFFAOYSA-N	302.378	3.142	10	20	DGCD	
CC[C@@H](CCO)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	815587448	JWNPCQSVCALHQA-QWRGUYRKSA-N	305.340	3.470	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)N(C)CC(F)F)c2C)cc1	728871219	RLNIKQLHRDBBNF-UHFFFAOYSA-N	322.355	3.440	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)Nc3cc[nH]n3)c2C)cc1	726528875	JQJMXTMICJPYRF-UHFFFAOYSA-N	310.357	3.078	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O	824723079	ZYGCZFHAPFBVLG-NILFDRSVSA-N	313.800	3.310	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H]2CCCC2(C)C)c(O)c1	836492085	CQJKMXHNTYMOHL-ZDUSSCGKSA-N	306.406	3.026	10	20	DGCD	
C[C@@H]1CC[C@@H](CN[C@H](C)c2cc(Br)ccc2O)O1	834915205	PAUSEWDTMXMLIE-FOGDFJRCSA-N	314.223	3.373	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCCOC(C)C	839920695	SJRHPYJWUMAJHR-INIZCTEOSA-N	320.477	3.313	10	20	DGCD	
COCCN(CCCc1ccccc1)C(=O)c1cc(O)cs1	732278722	UCOKFEDWMDDVII-UHFFFAOYSA-N	319.426	3.175	10	20	DGCD	
Cc1ccc(CCCCC(=O)NCc2ccc(O)cc2O)cc1	910954514	KUPFKAYPHFMVPQ-UHFFFAOYSA-N	313.397	3.435	10	20	DGCD	
Cc1sc(-c2ccco2)nc1C(=O)NCc1ccccc1O	748347160	XJVCPXUFRNRSNJ-UHFFFAOYSA-N	314.366	3.347	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O	840120448	LLUDUPCSLAMMKR-OLMNPRSZSA-N	312.413	3.066	10	20	DGCD	
Cc1ccc([C@H](C)C(=O)NCCCSc2nccs2)o1	742669559	PPCCIBOJZMPOTB-NSHDSACASA-N	310.444	3.447	10	20	DGCD	
C[C@@H](NC(=O)N[C@H](c1ccccn1)C1CC1)c1ccccc1O	925570500	JSQPJCPACWXGCT-PXAZEXFGSA-N	311.385	3.299	10	20	DGCD	
C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1O	756382912	GTARAGMUOIZKLS-BJOHPYRUSA-N	311.303	3.194	10	20	DGCD	
C[C@H]1CN(c2ccc(CNC[C@@H]3C[C@H]3C)cc2F)C[C@@H](C)O1	754131003	TWYOMMJYZXIZON-NYTXWWLZSA-N	306.425	3.185	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](C)SC)cc1	752218450	VBQWQSHJJXHQLW-CQSZACIVSA-N	323.506	3.426	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCOC(C)(C)C	852553763	WYMWVHCTRDOCEN-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)Cc2ccccc21	758374492	CNZJVAWISJZMLH-UHFFFAOYSA-N	311.381	3.414	10	20	DGCD	
CCOc1ccc([C@H]2NC(=O)c3cc(Cl)ccc3N2)c(O)c1	920408193	ZACSFOWEVVIDST-OAHLLOKOSA-N	318.760	3.298	10	20	DGCD	
CO[C@H]1C[C@H](N[C@H](C)c2cc(Br)cc(C)c2O)C1	858583994	KDWALLYVNWSBTA-YUSALJHKSA-N	314.223	3.291	10	20	DGCD	
COc1ccc(CN[C@H]2CCN(C3CCCCC3)C2=O)cc1C	765266959	NFQQKEAIZZBYSN-KRWDZBQOSA-N	316.445	3.027	10	20	DGCD	
C[C@H](CN[C@@H](C)c1ccc(Cl)cc1O)CC1(C)OCCO1	866427019	GWNDAMQUVFWDAG-RYUDHWBXSA-N	313.825	3.485	10	20	DGCD	
C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1	762267395	JIBCDWJYLDAORG-NSHDSACASA-N	319.788	3.214	10	20	DGCD	
COc1cccc(NC(=O)CCN[C@H](C)c2ccccc2O)c1	879648472	QMCIKJTZNCMNLF-CYBMUJFWSA-N	314.385	3.080	10	20	DGCD	
Cc1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)sc1C	770104679	ZPRFXBLFGFMKLV-UHFFFAOYSA-N	303.431	3.098	10	20	DGCD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	772997350	HFUURJSFCOSREN-NWDGAFQWSA-N	314.433	3.073	10	20	DGCD	
Cc1ccc(C2=NO[C@@H](CNCc3cccc(C)c3O)C2)cc1	1119516276	SWHUWDZHMNNXEI-QGZVFWFLSA-N	310.397	3.292	10	20	DGCD	
C[C@@H](NC(=O)COc1ccccc1F)c1ccc(N(C)C)cc1	773001571	VAPIHZPPJNNWEF-CYBMUJFWSA-N	316.376	3.148	10	20	DGCD	
C[C@@H](NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1	774252608	VLZPGRHKKQAGOK-RPCCPQHDSA-N	317.502	3.466	10	20	DGCD	
C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(N(C)C)cc1	775407046	QWVTYTCKPJWHSR-SNVBAGLBSA-N	320.339	3.227	10	20	DGCD	
COCCN(Cc1ccco1)Cc1cc(Cl)cc(F)c1O	775656589	KTBIRNWROYRYIJ-UHFFFAOYSA-N	313.756	3.426	10	20	DGCD	
C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1c(O)cccc1F	886547885	SZDWDYZZULCIBA-RNCFNFMXSA-N	311.303	3.194	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2c(O)ccc(Cl)c2F)C[C@@H]1C	792164632	AVSOHJBHSCFREJ-RYUDHWBXSA-N	314.832	3.489	10	20	DGCD	
CCc1occc1C(=O)NCc1cccc(Br)c1O	797759879	PJHUFGGEGHDFLJ-UHFFFAOYSA-N	324.174	3.240	10	20	DGCD	
C[C@@H]1[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)CCC[C@H]1C	797763326	RKJYIEZLLHQVPG-BAWJPVEYSA-N	303.402	3.300	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccc(C(N)=O)cc1	1337786144	VDEVLGNCGBMLCT-SWLSCSKDSA-N	310.397	3.138	10	20	DGCD	
O=C(O)[C@@H](NCc1ccc(N2CCCCC2)cc1)C1CCC1	1331995897	PVAIPDYVMVZURW-KRWDZBQOSA-N	302.418	3.020	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H](C2CC2)O1	1344378771	VNAFIBIGFBOXDB-DNVCBOLYSA-N	300.446	3.286	10	20	DGCD	
CN(C[C@@H]1CC1(C)C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1606096243	GMGUFALIBFBKLP-HWPRWLFBSA-N	304.346	3.175	10	20	DGCD	
C/C(=C\c1cccnc1)C(=O)N1CCCc2cc(C(=O)O)ccc21	1588488806	SSDRVHNWTGKWNB-JLHYYAGUSA-N	322.364	3.163	10	20	DGCD	
CN(CCCSc1ncc(C(=O)O)s1)c1ccccc1	1598482831	FCSFTHGMJUIDMI-UHFFFAOYSA-N	308.428	3.460	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1ccccc1OC(F)(F)F	209431820	FOXHEOVIHRNVRL-VMPITWQZSA-N	305.302	3.074	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1	178849181	ISNDMQXQPPFCDA-CQSZACIVSA-N	307.434	3.309	10	20	DGCD	
O=[N+]([O-])c1cnc(Sc2nccs2)c(Br)c1	301544865	OZJCGMMPJIHVDI-UHFFFAOYSA-N	318.177	3.360	10	20	DGCD	
CC(C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	129461007	PSPABKVZPJIXKF-UHFFFAOYSA-N	302.340	3.040	10	20	DGCD	
COc1cccc(CNc2ccc(C)c(NC(C)=O)c2)c1O	122552111	CCHFKAAUXRGENH-UHFFFAOYSA-N	300.358	3.280	10	20	DGCD	
CC(C)(NCc1cccc(Cl)c1O)C(=O)NCC1CCCC1	182660542	SDAGSKIVMTYKCD-UHFFFAOYSA-N	324.852	3.220	10	20	DGCD	
C[C@@H](NCCCOC1CCOCC1)c1cc(Cl)ccc1O	186074127	KIEZICFFSIKTPY-GFCCVEGCSA-N	313.825	3.282	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1	180717869	RWRJCFTWODZKIQ-YOEHRIQHSA-N	317.385	3.082	10	20	DGCD	
COc1ccc(OCCN[C@@H](C)c2ccc(F)cc2O)cc1	184903605	RGSIVJOGINHYFX-LBPRGKRZSA-N	305.349	3.270	10	20	DGCD	
C[C@@H](C1CC1)n1cc(NC(=O)N(C)Cc2ccccc2O)cn1	189812158	NEQBRECZANJMKO-LBPRGKRZSA-N	314.389	3.224	10	20	DGCD	
C[C@@H](NCc1cccc(N2CCCC2=O)c1)c1ccccc1O	183417715	NERFMRXFNMYSPZ-CQSZACIVSA-N	310.397	3.370	10	20	DGCD	
CCN(CC)c1ccc(CNC2C[C@@H]3CC[C@H](C2)N3C)cc1	192696832	XJNWSTVQXMXQTI-JLYLLQBASA-N	301.478	3.248	10	20	DGCD	
COc1cccc([C@H](CN[C@@H](C)c2ccccc2O)N(C)C)c1	192865290	WWAOJVLAYLKEOP-KSSFIOAISA-N	314.429	3.354	10	20	DGCD	
CCOc1cccc(CN2CCN(C)CC23CCCCC3)c1O	93872001	ICUIMDPFAZMJQC-UHFFFAOYSA-N	318.461	3.241	10	20	DGCD	
Cn1cc(C(=O)NCc2ccccc2O)c(C2CCCCC2)n1	269114336	DAHMTFXNTGEJKQ-UHFFFAOYSA-N	313.401	3.103	10	20	DGCD	
Cc1c(CNCc2cnccc2N(C)C)n(C)c2ccccc12	355120446	JWGXWAVBHSZEMZ-UHFFFAOYSA-N	308.429	3.238	10	20	DGCD	
CC[C@H](NCc1nnc2n1CCCCC2)c1ccc(C)cc1O	279921120	AEBAJKICNVKYFP-HNNXBMFYSA-N	314.433	3.259	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccccc2Cn2cncn2)c(O)c1	273376961	HIXWYZRBSDWBMR-OAHLLOKOSA-N	322.412	3.191	10	20	DGCD	
CCc1nc([C@@H]2CCCCN2Cc2cccc(C)c2O)no1	378442585	KEVBSHQDRRDFLN-AWEZNQCLSA-N	301.390	3.373	10	20	DGCD	
CC[C@H](N[C@H](C)[C@@H](CO)SC)c1cccc(Cl)c1O	287880041	YJJFFURRLZCOOZ-JIMOISOXSA-N	303.855	3.199	10	20	DGCD	
COc1cc(Cl)cc(CN(C)CCCn2ccnc2C)c1O	290461510	NBJUTVNSQKXDLS-UHFFFAOYSA-N	323.824	3.081	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](CC)OC	291464329	MIABBAOEPVEZHJ-OAHLLOKOSA-N	308.422	3.129	10	20	DGCD	
CC[C@H](N[C@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1O	810222621	XHECYHRRJIUHFZ-QWHCGFSZSA-N	305.340	3.469	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c1	814301499	VGFGTUHUFGMZJU-NNUKFRKNSA-N	316.332	3.475	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H](C)[C@H]3CCCN3)cc2)CC1	817902526	SKKMUDPIIZVUAM-QFBILLFUSA-N	301.478	3.153	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC[C@H](O)c1ccccc1	819373082	AZELOEUXZWBFLE-JXFKEZNVSA-N	312.457	3.315	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@H](O)Cc1ccc(F)cc1	815055381	YTBFCAOFMLZIBF-GOSISDBHSA-N	317.404	3.347	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cc(Br)ccc2O)c2nccn21	825017447	RSQARMQUBYRPTN-BXKDBHETSA-N	322.206	3.147	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C(C)=C3CCC3)CC2)cc1	825373641	OJOMHGIEXCRIQR-UHFFFAOYSA-N	314.429	3.234	10	20	DGCD	
COc1cccc(CNC(=O)C2[C@H]3CCCCCC[C@H]23)c1O	830541356	WQDOJYTXWGTDGZ-KBPBESRZSA-N	303.402	3.233	10	20	DGCD	
C[C@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1c(O)cccc1F	903238109	DWJRNXIRLKEGAJ-NSHDSACASA-N	324.396	3.239	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C1/COc2ccc(F)cc21	918156377	OUNUMIRGQFNTLT-OWBHPGMISA-N	318.373	3.045	10	20	DGCD	
COc1cccc(O)c1CNCCc1nc2ccccc2s1	746404092	JOKBYFNPAQDZCG-UHFFFAOYSA-N	314.410	3.343	10	20	DGCD	
CCC(CC)[C@@H](CCNC(=O)NCc1ccccc1O)OC	747403218	IEIOGLSNRSVDJQ-MRXNPFEDSA-N	308.422	3.033	10	20	DGCD	
C[C@@H](CN)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	843487359	DLUZQVODOMNEBJ-LSDHHAIUSA-N	312.413	3.077	10	20	DGCD	
C[C@@H]1CCC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2	743590335	FQJOVMULGYPRNW-WBMJQRKESA-N	302.418	3.259	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2ccc(O)nn2)c(C)n1-c1ccccc1	858542037	HQNDOOLWFIRFLN-AWEZNQCLSA-N	322.412	3.441	10	20	DGCD	
C[C@H](NCCC(C)(C)N)c1cc(Br)c(F)cc1O	925738274	PSFAWKYVZGQQLW-QMMMGPOBSA-N	319.218	3.072	10	20	DGCD	
CCOCCOCCN[C@H](C)c1cccc(C(F)(F)F)c1O	927086117	DACMPHZCTXXVEE-LLVKDONJSA-N	321.339	3.115	10	20	DGCD	
CN(Cc1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCO2	756653482	KLNPCDTWTVRVAQ-UHFFFAOYSA-N	307.353	3.237	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@H]2CN2CCCCC2)c1	754731793	GUMSHGBUSFJDFV-SFHVURJKSA-N	302.462	3.459	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C2(c3ccc(N(C)C)cc3)CC2)c1	862755438	SMILYEHNLJNRFK-UHFFFAOYSA-N	324.424	3.115	10	20	DGCD	
CC[C@@H](NCCCSc1nccs1)C1CCOCC1	766074648	YVEPQKMHLRXMQQ-CYBMUJFWSA-N	300.493	3.420	10	20	DGCD	
COc1cc(CN2CCC[C@H]2c2cc(C)on2)c(O)cc1C	768441369	KFLXVAGMHVFHRO-HNNXBMFYSA-N	302.374	3.343	10	20	DGCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](c2ccccc2)C1=O	761580440	UEKSSSAIWOXGRX-SUMWQHHRSA-N	323.396	3.107	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(Cc3ccsc3)CC2)c1	768208484	RABCVRVLXOPFLZ-UHFFFAOYSA-N	302.443	3.080	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](CO)C(C)C)c1C	778407762	ROIBAUAQQASONK-QGZVFWFLSA-N	314.429	3.149	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1C[C@H](C)Oc2c(F)cccc21	775414863	MJOWPTMNMIOFFE-YBJDMEARSA-N	312.344	3.356	10	20	DGCD	
CCCC[C@@H](COC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773305968	LSSGIPWECQPHIX-ZBFHGGJFSA-N	321.465	3.318	10	20	DGCD	
Oc1ccc2c(c1)CC[C@H](NCc1cccc(Cl)c1O)C2	775173452	RSTFQGWDEGLSRS-AWEZNQCLSA-N	303.789	3.398	10	20	DGCD	
C[C@@H](NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1	774252603	VLZPGRHKKQAGOK-RMRKRWHISA-N	317.502	3.466	10	20	DGCD	
Cc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)c(O)c1	876901727	ISTAIUWCCKYXEK-UHFFFAOYSA-N	319.788	3.415	10	20	DGCD	
C[C@@H](NC1CCN(C(=O)CC(C)(C)C)CC1)c1ccccc1O	877756590	WIULXFSVRMOWLA-CQSZACIVSA-N	318.461	3.470	10	20	DGCD	
CC[C@H](NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccc(N(C)C)cc1	873264788	ROYKYXUMTWFEGF-RUENVJTFSA-N	301.478	3.324	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1C[C@H]1C1CCCCC1	779486381	WQDCPFNMKZABGD-RJXMKIDGSA-N	301.386	3.196	10	20	DGCD	
COc1ccc(CNCCCc2ccccc2)c(O)c1OC	892423609	SOVHFCYWSQSRSW-UHFFFAOYSA-N	301.386	3.132	10	20	DGCD	
CC1CCN(c2ccc(CNCC[C@@H]3CCOC3)cc2)CC1	783623167	HWGSFFFELYCXIQ-GOSISDBHSA-N	302.462	3.439	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1CCN1Cc1ccccc1	708435961	HJLPMZXYLRGHAW-INIZCTEOSA-N	318.367	3.035	10	20	DGCD	
C[C@@H]1OCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1C	792822272	JNLWGFJDSIMINB-RYUDHWBXSA-N	316.367	3.381	10	20	DGCD	
C[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1	798393728	YEVYUYRIRWFJRI-TZMCWYRMSA-N	307.413	3.127	10	20	DGCD	
Cc1cc2cc(CNCc3cc([N+](=O)[O-])ccc3O)ccc2[nH]1	796528011	NMOBJTSPRAZFGW-UHFFFAOYSA-N	311.341	3.380	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCCO)c1	1322260982	JFOXQNZEYTWJOJ-UHFFFAOYSA-N	320.820	3.250	10	20	DGCD	
CCS[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N)cc1	1353492863	ONPHGNQJDDUFPI-CABCVRRESA-N	307.463	3.132	10	20	DGCD	
C[C@]1(NCc2c(O)ccc(Cl)c2F)CCCC[C@@H]1C(=O)O	1594059980	IUQZAIGSKXSYIL-BMIGLBTASA-N	315.772	3.308	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)NC1CCCC1	5263727	UHBDEXUFPCJTHX-UHFFFAOYSA-N	315.442	3.238	10	20	DGCD	
C[C@@H](Cc1cnn(C)c1)NCc1cc(Cl)cc(Cl)c1O	809775979	NKOOXTHTSIOPOH-VIFPVBQESA-N	314.216	3.153	10	20	DGCD	
CN(C)c1ccc(CNCc2cncc(Br)c2)cc1	157845443	AQABPCCAJHDEPX-UHFFFAOYSA-N	320.234	3.200	10	20	DGCD	
CO[C@@H]1C[C@@H](NCc2c(O)cccc2Br)C1(C)C	706885042	PGKODIZBHILMFK-CHWSQXEVSA-N	314.223	3.058	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCc2ccccc2F)cc1	8172228	OUNKDRMCRDMJFB-UHFFFAOYSA-N	300.377	3.141	10	20	DGCD	
COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1	115640353	RSMXVIDNUDEFQK-UHFFFAOYSA-N	313.401	3.391	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1ncc(C)cc1[N+](=O)[O-]	301784567	UPAONUARGGZZDM-UHFFFAOYSA-N	314.389	3.391	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(F)ccc1O)c1ccc(NC(N)=O)cc1	176985414	MPBLSABUNJLDLM-WDEREUQCSA-N	317.364	3.434	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@](C)(CO)C2CCCCC2)c1O	79763193	PKKCBGUKVRKSFG-SFHVURJKSA-N	323.408	3.155	10	20	DGCD	
Cc1cc(F)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21	125398048	RCEBKQZQYYIPNL-UHFFFAOYSA-N	314.360	3.239	10	20	DGCD	
CCc1ccccc1CC(=O)N[C@H](C)c1cc(OC)ccc1O	188909536	SBSAKLJUPMQIKE-CYBMUJFWSA-N	313.397	3.383	10	20	DGCD	
COc1cccc(SCC(=O)N(C)Cc2ccccc2O)c1	136948481	UKSDOFWQFFJYOX-UHFFFAOYSA-N	317.410	3.152	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2scnc2C(C)(C)C)c1	80097440	CXAGYEITAGUMKS-UHFFFAOYSA-N	320.414	3.085	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCc2ccc3c(c2)OCCO3)c1	192743359	IVFQKCNUUWSKLM-CQSZACIVSA-N	313.397	3.365	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@H]2CCCc3c2cnn3C)c1	93864282	NWHXSLRPZAOTEY-INIZCTEOSA-N	315.417	3.034	10	20	DGCD	
CN(Cc1nccs1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	93582300	VYISDQRHHYKSLQ-UHFFFAOYSA-N	313.766	3.042	10	20	DGCD	
O=S(=O)(c1ccc(Sc2nccs2)cc1)C(F)F	92621822	WFGRHTZBDWFZFL-UHFFFAOYSA-N	307.368	3.291	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc3cn(C)nc3c2)c1	527966957	WJPZDWFIUPJXJW-GFCCVEGCSA-N	311.385	3.138	10	20	DGCD	
COc1ccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)cc1C	265234403	JIGISXVPZWCSDF-KRWDZBQOSA-N	324.424	3.178	10	20	DGCD	
CCc1ocnc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	265701632	KJCNBDCGPHXUOQ-UHFFFAOYSA-N	315.417	3.354	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1n1ccnc1	271265729	LTOQGRRFMNFXFV-KDOFPFPSSA-N	316.424	3.171	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(-n3cncn3)cc2)c(O)c1C	273570615	KNELLEVKZBJYNB-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
CC(C)CCNC(=O)NCc1cccc(Br)c1O	277756895	ODIKYRRBFVSPAL-UHFFFAOYSA-N	315.211	3.000	10	20	DGCD	
CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1O	287643173	KYHFFAYWNOVYQD-BXUZGUMPSA-N	320.824	3.001	10	20	DGCD	
CC[C@@H](NCc1ncn(C)n1)c1cc(Cl)cc(Cl)c1O	287762203	QXMVWXILCXSADQ-LLVKDONJSA-N	315.204	3.068	10	20	DGCD	
CC[C@H](C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	298838225	AGNQUATXRHXYGX-IHRRRGAJSA-N	322.424	3.102	10	20	DGCD	
CC[C@H](N[C@H]1CCN(C)C1)c1cc(Cl)cc(Cl)c1O	806137095	GVSXAQAOJQKATQ-GWCFXTLKSA-N	303.233	3.444	10	20	DGCD	
CN1CC[C@@H]2[C@H](CCCN2Cc2c(O)ccc(Cl)c2F)C1	809767489	MTDJHSJZKAGEMF-BXUZGUMPSA-N	312.816	3.101	10	20	DGCD	
C[C@@H]1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1	807839266	KFBWYVRBDHSHNA-BDAKNGLRSA-N	318.200	3.130	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccccc2OC2CC2)cc1	806317264	CXMWBFAKXWRYCT-UHFFFAOYSA-N	310.397	3.224	10	20	DGCD	
C[C@H]1CCCN(c2ccc(CN[C@@H]3CCOC3)cc2Cl)C1	800275422	CCKADQOTONICIZ-DZGCQCFKSA-N	308.853	3.455	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3nc[nH]c3C2)cc1	816651979	VQISXPVQHMKUID-UHFFFAOYSA-N	320.396	3.016	10	20	DGCD	
CN(Cc1ccccc1O)c1ccnc2c([N+](=O)[O-])cccc12	814364770	NXDFGQNAYLSBIO-UHFFFAOYSA-N	309.325	3.485	10	20	DGCD	
C[C@H](N[C@H]1CC[C@@H](CN)C1)c1ccc(Cl)c(Cl)c1O	817982231	PRISUSHKAPYJHC-AEJSXWLSSA-N	303.233	3.477	10	20	DGCD	
OC[C@@H](CNCc1cc(Cl)c(F)cc1O)Cc1ccccc1	816538188	IZQPKMSWQUFAAF-CYBMUJFWSA-N	323.795	3.126	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H]1CCCNC1)c1cc2c(cc1O)CCCC2	817947192	MKBZCNHCTBEGND-JKIFEVAISA-N	302.462	3.310	10	20	DGCD	
CCc1nc(C)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)s1	728983430	ZTGZDEJFVQWGMQ-SECBINFHSA-N	320.414	3.219	10	20	DGCD	
COc1ccc(N(Cc2ccco2)C[C@@H]2C[C@H]2C(=O)O)cc1F	903893561	GCXBZESFMCMWIR-SMDDNHRTSA-N	319.332	3.155	10	20	DGCD	
O=C(/C=C\c1cccnc1)N(Cc1ncc[nH]1)c1cccc(F)c1	492074864	XSYVMGJUCCRFKI-SREVYHEPSA-N	322.343	3.190	10	20	DGCD	
CCc1cccc(CN(C)[C@@H](CO)c2ccc(OC)cc2)c1O	848887339	UAEQPOKHUHCJFY-SFHVURJKSA-N	315.413	3.129	10	20	DGCD	
CCOc1ccc(NC(=O)CN(C)c2ccc(OC)cc2)cc1	844353354	SXSLBGYQSSMWQL-UHFFFAOYSA-N	314.385	3.169	10	20	DGCD	
CN1CCCc2cc(CNC(=O)/C=C/c3ccccc3)ccc21	746809282	RQSSRFLUUBAQAA-ZRDIBKRKSA-N	306.409	3.399	10	20	DGCD	
CC[C@@H](C)N(CC(=O)O)Cc1ccc(N(CC)CC)c(F)c1	840997109	UFHZEJKEADEOMZ-CYBMUJFWSA-N	310.413	3.357	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(O)c1C	746889594	AZQSSRNIXBQCOG-UHFFFAOYSA-N	316.376	3.144	10	20	DGCD	
CCCCCCO[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	840415752	HVJXUUWVQUVINZ-KGLIPLIRSA-N	323.433	3.130	10	20	DGCD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841788086	RHAJDQMFVVBAQF-WBVHZDCISA-N	303.450	3.469	10	20	DGCD	
COc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c(C)c1	743337285	SQMYMLYDYQLJSO-GFCCVEGCSA-N	315.369	3.209	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC1CC1	840490266	YSOQZUAQYUXOME-CQSZACIVSA-N	303.450	3.043	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC(F)(F)C1	845064299	HBXJQTMNZLWBDA-JTQLQIEISA-N	304.724	3.033	10	20	DGCD	
CCN(CC(=O)NCc1sccc1C)c1ccc(OC)cc1	746107854	RZYHBELXUISNBF-UHFFFAOYSA-N	318.442	3.208	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]([C@@H]3CCCNC3)C2)cc1F	843127463	REZKLNYHIVVWPN-SJORKVTESA-N	319.468	3.103	10	20	DGCD	
CN(CC[C@H]1CCNC1)Cc1ccc(N2CCCCC2)cc1	844221348	WVEJGPFYVSEFEA-QGZVFWFLSA-N	301.478	3.108	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1	745819502	DXSIMCAQQYGRHD-UMVBOHGHSA-N	318.417	3.169	10	20	DGCD	
CCOCCOCCN[C@@H](C)c1ccc(N2CCCCC2)cc1	927090392	PODMSBNTXHIXFH-KRWDZBQOSA-N	320.477	3.381	10	20	DGCD	
CCOC(=O)/C=C/CN(Cc1ccco1)Cc1ccccc1O	929969319	LWFIEGZYFQOMDJ-BJMVGYQFSA-N	315.369	3.107	10	20	DGCD	
COc1ccc(N2CCN(Cc3cc(C)cc(C)n3)CC2)cc1	929152949	KEQYWSJXHHWDHQ-UHFFFAOYSA-N	311.429	3.029	10	20	DGCD	
COc1ccc(N2CCC(NCCCOC(C)(C)C)CC2)cc1	850368525	CBRGPUVVLIWPOQ-UHFFFAOYSA-N	320.477	3.459	10	20	DGCD	
C[C@H](N[C@@H]1CCCc2c1cnn2C)c1cc(F)cc(F)c1O	756402717	OFJXHUCIQTWUCA-LKFCYVNXSA-N	307.344	3.132	10	20	DGCD	
C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1cc([N+](=O)[O-])ccc1O	850544607	YSLZWTUQKILWHL-HWPZZCPQSA-N	314.341	3.344	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)CCc2ccccc2)cc1OC	754019043	OLUCDAYULVFZIG-QGZVFWFLSA-N	315.413	3.134	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCOC3(CCOCC3)C2)c(O)c1	756765792	RBPUWQBWIMVGIV-LSDHHAIUSA-N	305.418	3.079	10	20	DGCD	
C[C@@H](NC[C@H](O)c1c(F)cccc1F)c1ccc(F)cc1O	756741915	YRMCJZUPSGTUNE-PSLIRLAXSA-N	311.303	3.194	10	20	DGCD	
CC[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1	851640486	VZYAMUJMLQVWHH-KRWDZBQOSA-N	300.377	3.088	10	20	DGCD	
COc1ccc(N(C)CC2CCC3(CC2)OCCO3)cc1OC	753706000	QYCASGUAUSJMDH-UHFFFAOYSA-N	321.417	3.073	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2sc(C)nc2C)c1	757242955	RDOVLRGKBMPGNG-QMMMGPOBSA-N	321.402	3.357	10	20	DGCD	
C[C@H](NC[C@@H](O)c1c(F)cccc1F)c1cc(F)ccc1O	756741844	XQDLROJHZYSICU-BJOHPYRUSA-N	311.303	3.194	10	20	DGCD	
C[C@H]1C[C@@H](NCCOc2ncccc2F)c2c(O)ccc(F)c21	756761889	RQZOUXDYTWPEIJ-GXFFZTMASA-N	320.339	3.282	10	20	DGCD	
COc1ccc(N2CCN(Cc3cccc(C)c3)CC2)cc1F	753856606	IJNZEZICUXRBEX-UHFFFAOYSA-N	314.404	3.465	10	20	DGCD	
C[C@@H](NC(=O)NCCCOC(C)(C)C)c1ccc(N(C)C)cc1	852261145	LRDVOHVCVVXYGW-CQSZACIVSA-N	321.465	3.318	10	20	DGCD	
Fc1ccc(NC(=S)NCc2ncccc2F)cc1Cl	752767058	YCTYAXTVTRVTIB-UHFFFAOYSA-N	313.760	3.500	10	20	DGCD	
CCOc1cccc(CNCc2cc(COC)cs2)c1O	850377887	MTALAPUVPMUXAZ-UHFFFAOYSA-N	307.415	3.289	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2c2ncc[nH]2)cc1F	862325994	IDHVTCZQOUKRCZ-CQSZACIVSA-N	306.360	3.091	10	20	DGCD	
CCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@H](CC)C1	1037758912	KZOHLNFUYNBICD-SJORKVTESA-N	318.461	3.130	10	20	DGCD	
C[C@H]1[C@H](C)CCCN1Cc1ccc(N2CCOCC2)c(F)c1	769224883	ZXWJNWSBZKEYFD-CABCVRRESA-N	306.425	3.283	10	20	DGCD	
COC(=O)[C@H](NCc1ccc(C)cc1O)c1ccc(F)c(C)c1	877427353	JVJYUCCSWLCSEN-QGZVFWFLSA-N	317.360	3.152	10	20	DGCD	
CCCNC(=O)c1cccc(CNCc2ccc(C)cc2O)c1	876940045	OYGCQSNIRTYXHI-UHFFFAOYSA-N	312.413	3.130	10	20	DGCD	
Cc1ccc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(O)c1	876818803	YEOPNWXYROTBNI-OAHLLOKOSA-N	312.417	3.076	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)C[C@@H]2CCCC(=O)N2)cc1	876945428	YLGQLVRUKWIVAO-WBVHZDCISA-N	317.477	3.070	10	20	DGCD	
CCC1(CC)[C@H](NC(=O)NCc2ccccc2O)[C@H](C)[C@H]1OC	770827610	FXSKQVXMPZOGDS-APHBMKBZSA-N	320.433	3.031	10	20	DGCD	
COc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1	775434559	KGUIPXYVQPWSIE-GFCCVEGCSA-N	314.389	3.039	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCC[C@H](C)C2)c1O	774972869	DKJZKVSJNQYGLJ-RYUDHWBXSA-N	308.378	3.225	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1-c1cn[nH]c1	784469652	UGHOFVSHIWDXDA-VURMDHGXSA-N	321.336	3.140	10	20	DGCD	
CC1(NCc2cc([N+](=O)[O-])ccc2O)CCC(F)(F)CC1	784622282	YALDDSIQDQVGNF-UHFFFAOYSA-N	300.305	3.358	10	20	DGCD	
COc1ccc(CNCCc2ccc(C)c(C)c2)c(O)c1OC	895360543	IPAXKSRMGNMGLO-UHFFFAOYSA-N	315.413	3.359	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccnc(COC)n2)cc1F	892431378	PPGKFFCWCCFSLJ-UHFFFAOYSA-N	318.396	3.220	10	20	DGCD	
CC[C@@H](NCC1([S@@](C)=O)CCC1)c1cc(Cl)ccc1O	798005573	WVUGTWNRQDMJPA-ZUOKHONESA-N	315.866	3.388	10	20	DGCD	
Cc1c(NCc2c(O)ccc(Cl)c2F)cccc1C(N)=O	1326281388	YJZSGVXRDAITBK-UHFFFAOYSA-N	308.740	3.204	10	20	DGCD	
CC[C@H](C)N(CC(=O)OC)Cc1ccc(N2CCCC2)cc1	1321186484	BAIRUTMQNGQTSR-HNNXBMFYSA-N	304.434	3.060	10	20	DGCD	
CN(Cc1cccc(Br)c1O)C[C@H]1CCCOC1	156030013	KYGAUPPDKCTSQZ-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
CCc1nc(CCN[C@@H](C)c2cc(C(=O)O)ccc2O)cs1	1605851544	HSRXZILQCLNRSJ-JTQLQIEISA-N	320.414	3.003	10	20	DGCD	
C[C@H](NC[C@H](C)N1CCCC[C@@H]1C)c1cc(C(=O)O)ccc1O	1604331807	GSHIPBVKXDIYGF-IHRRRGAJSA-N	320.433	3.004	10	20	DGCD	
Cc1cccc2ncnc(Sc3ncc(C(=O)O)s3)c12	1607870140	LBTPKAVXLFISRP-UHFFFAOYSA-N	303.368	3.244	10	20	DGCD	
CC(C)Oc1ccc(C(=O)O)cc1NC(=O)c1cc(O)cs1	1591771762	FMMDAVKCAGQKCC-UHFFFAOYSA-N	321.354	3.191	10	20	DGCD	
CC(=O)Nc1ccccc1CN(C)Cc1ccc(N(C)C)cc1	155223992	DXRVBJBYAKBLGW-UHFFFAOYSA-N	311.429	3.343	10	20	DGCD	
CNC(=O)c1ccc(OC)c(NCc2cc(Cl)ccc2O)c1	118942577	AFUIGRSAWPJOEK-UHFFFAOYSA-N	320.776	3.026	10	20	DGCD	
Cc1ccc(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1	28333567	MKFGMFQNVHVVHN-UHFFFAOYSA-N	322.408	3.094	10	20	DGCD	
COc1ccc(CCCC(=O)N(C)Cc2ccccc2O)cc1	61621654	VVRWUECRPGDWSR-UHFFFAOYSA-N	313.397	3.382	10	20	DGCD	
COc1cccc(CN2CCC(OCCC(C)C)CC2)c1O	121618355	LNRNHFOVSLMAID-UHFFFAOYSA-N	307.434	3.428	10	20	DGCD	
CC1(C)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CCS1	317540781	JHOBXDQXZZTFGN-GQCTYLIASA-N	322.386	3.024	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)CCO)c(C)n1-c1cccc(Cl)c1	123365078	DERVVLRGSANVFU-NSHDSACASA-N	320.820	3.248	10	20	DGCD	
CCOc1cccc(CN(C)CCOc2ccc(F)cc2)c1O	121473862	JTURTLRCWOYRQI-UHFFFAOYSA-N	319.376	3.441	10	20	DGCD	
C[C@@H](NC1CCN(C)CC1)c1ccc(Cl)c(Cl)c1O	184897637	LASSWPWYBXYFJT-SECBINFHSA-N	303.233	3.444	10	20	DGCD	
CC[C@@H](O)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	124554539	AYWAZFHWTRVVHE-MRXNPFEDSA-N	318.392	3.124	10	20	DGCD	
COc1ccc(CNCc2ccccc2O)c(Cl)c1OC	134451497	VURPQTWMGGCYSW-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCc1nccn1C	194103056	DSKQWMISSVRMFZ-UHFFFAOYSA-N	315.398	3.246	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3nc[nH]c3C)c2C)c1	266975875	NUSDMGCHZIPJOI-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC12CCCC2	353886078	DYQMMFUBTZWHTJ-CQSZACIVSA-N	300.402	3.058	10	20	DGCD	
C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1	269150911	RCENSDZWYLOXIA-ZDUSSCGKSA-N	300.377	3.260	10	20	DGCD	
Cc1c(CNC(=O)[C@]2(C)CCCCO2)n(C)c2ccccc12	457764942	MOBWNGMUHPCWJL-SFHVURJKSA-N	300.402	3.062	10	20	DGCD	
C[C@@H](NCc1cccc(N(C)C)c1)c1cc([N+](=O)[O-])ccc1O	273370058	CFSYYWZQBTYGJU-GFCCVEGCSA-N	315.373	3.217	10	20	DGCD	
C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1O	273467102	DYVZOYUDAIGQAS-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)cn1	272984671	ZGDAFGBTSBRPQO-UHFFFAOYSA-N	315.392	3.338	10	20	DGCD	
C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccccc1O	272874281	PKWAPZYIANDPDX-GFCCVEGCSA-N	305.399	3.110	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1OC	274325324	DQZOZBWFXOQXLW-IAGOWNOFSA-N	323.433	3.091	10	20	DGCD	
COc1ccc(OC)c(CN[C@@H](C)c2ccc(F)cc2O)c1	273400663	MXKDTQXIKFVJSM-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1c(C)nn(C)c1C	282362324	BMMJKJLNXYYSNQ-UHFFFAOYSA-N	315.417	3.185	10	20	DGCD	
CC[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(C)cc1O	282902601	WUIORZFRLINYIJ-CQSZACIVSA-N	302.422	3.288	10	20	DGCD	
CC[C@H](N[C@@H](C)[C@H](CO)SC)c1cccc(Cl)c1O	287880053	YJJFFURRLZCOOZ-XDTLVQLUSA-N	303.855	3.199	10	20	DGCD	
CCOCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800050278	RLSXVPYDEBXKJT-ZDUSSCGKSA-N	324.852	3.229	10	20	DGCD	
CC(C)[C@H](CO)CN[C@@H](C)c1ccc(Br)cc1O	806169798	RDXQIXHPSAMCQN-QWRGUYRKSA-N	316.239	3.070	10	20	DGCD	
C[C@@H](CN(C)C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	806169948	MQMHBKHHMNOSLU-GJZGRUSLSA-N	307.457	3.417	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCCN1)c1ccc(Cl)c(Cl)c1O	817949373	JWVDKHVQLMCGHJ-ZJUUUORDSA-N	303.233	3.492	10	20	DGCD	
COc1cc(Cl)cc(CN2CC3(CCNCC3)C[C@@H]2C)c1O	818431790	TVWNUPURBKUSJF-LBPRGKRZSA-N	324.852	3.018	10	20	DGCD	
Cc1cc(NCCc2ccc(O)c(O)c2)c(F)cc1[N+](=O)[O-]	812461471	WNHOOOUSDXXNOS-UHFFFAOYSA-N	306.293	3.108	10	20	DGCD	
Cc1cc(O)c(CN2CCC(=O)Nc3cc(F)ccc32)cc1C	811508553	WHZJRBVVRIOKJA-UHFFFAOYSA-N	314.360	3.497	10	20	DGCD	
CCOc1ccc(O)c(CNc2ccc(F)c(NC(N)=O)c2)c1	814301138	VDHUCMTYYYQKSR-UHFFFAOYSA-N	319.336	3.033	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@@H]2CNC[C@H]2C1)c1cc2c(cc1O)CCCC2	817987534	UCMQDCTWTFDFDN-OKDNKWQNSA-N	314.473	3.310	10	20	DGCD	
Cc1cc(CN(C)[C@@H]2CCCc3c2cnn3C)ccc1N(C)C	815074244	NEQMWYOBLKLCNY-GOSISDBHSA-N	312.461	3.304	10	20	DGCD	
C[C@@H](NC(=O)c1sccc1CN(C)C)c1ccccc1O	827937140	LWMOSTGALDYTIR-LLVKDONJSA-N	304.415	3.006	10	20	DGCD	
CCN(C(=O)/C=C/c1cncc(C)c1)c1ccccc1C(=O)O	829591190	OXWDINDGOVLTIW-CMDGGOBGSA-N	310.353	3.155	10	20	DGCD	
CC[C@H](N[C@@H]1CCO[C@H](c2nccn2C)C1)c1ccccc1O	825328131	YMYXRSXRPADSSO-KMFMINBZSA-N	315.417	3.087	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C\c2cncc(F)c2)cn1	823430370	MDESDDBHZWOMLD-WAYWQWQTSA-N	316.380	3.140	10	20	DGCD	
O=C(O)CN(Cc1cccc(F)c1)Cc1cc(Cl)ccc1O	739796520	OEIRWVNFIXCHQV-UHFFFAOYSA-N	323.751	3.272	10	20	DGCD	
CC[C@@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(N(C)C)cc1	903062827	XPEPAWJOHXAIOO-IAGOWNOFSA-N	315.465	3.319	10	20	DGCD	
C[C@@H]1C[C@H](c2cccnc2)N(C(=O)/C=C\c2ccc(O)c(O)c2)C1	588449296	UEYZXSBWAZRAHW-TZDXQJPWSA-N	324.380	3.116	10	20	DGCD	
CCc1oc(C(=O)O)cc1CN(C)c1ccc(OC)c(F)c1	830363271	QBLAGTLGWAVHRW-UHFFFAOYSA-N	307.321	3.324	10	20	DGCD	
COc1ccc(N(C)CC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1	844353561	YOIQGXHKBQIRAA-UHFFFAOYSA-N	314.385	3.162	10	20	DGCD	
CN(C)c1ccc(CNCC(C)(C)c2cccnc2)cc1F	840975803	RFQZCAZKTJVKFP-UHFFFAOYSA-N	301.409	3.354	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CCC[C@@H](N)C3)cc2)CC1	848717974	DUXCKLHLJRMUTH-QZTJIDSGSA-N	301.478	3.282	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1nnc(C(C)(C)C)s1	840936777	GEOGCQMYXZROMO-UHFFFAOYSA-N	318.490	3.500	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H](c2ccccc2)C2CC2)cc1	841668789	CVYBXTOUMPBUAL-SFHVURJKSA-N	309.413	3.262	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@](C)(O)C2CCCCC2)c1O	846165032	KMHVMJGNBXMZJJ-ACJLOTCBSA-N	307.434	3.383	10	20	DGCD	
COC1([C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCC1	840970004	OBYLWNBVWUMHDX-SECBINFHSA-N	314.769	3.001	10	20	DGCD	
CC[C@@H](C)n1nc(NC(=O)NCCc2ccc(N)cc2)cc1C	841174126	UNGSDYLPFMXGLV-GFCCVEGCSA-N	315.421	3.109	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2[C@H](C)O)ccc1N1CCCCC1	852558045	FDYPDFCUUPOCAH-QFBILLFUSA-N	302.462	3.331	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cc(F)ccc2OC)c1	756857700	QBJVOWVXWDITIC-SNVBAGLBSA-N	319.332	3.500	10	20	DGCD	
Cc1ccc(F)c(NC(=S)NCc2cccc(N(C)C)n2)c1	754692550	PBVOIEAWKMEJHC-UHFFFAOYSA-N	318.421	3.082	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC(C(C)C)C2)cc1	753573330	SRMIPRJLPVAVDW-UHFFFAOYSA-N	303.450	3.330	10	20	DGCD	
O=C(c1cc(O)cs1)N1C[C@@H]2CCCCN2c2ccccc21	854665985	KNBVXBFXSRYBND-LBPRGKRZSA-N	314.410	3.473	10	20	DGCD	
Cc1ccc(C(=O)NCCCn2ccc3ccccc32)c(O)c1O	751532800	GOVBJJBQBDNUBD-UHFFFAOYSA-N	324.380	3.181	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2c(C)cc(C)nc2OC)c1	756536195	RFUSVSXEOTXFOI-ZDUSSCGKSA-N	316.401	3.272	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1	766583955	LTTCTHFPCFIHFI-DOXZYTNZSA-N	301.478	3.276	10	20	DGCD	
COc1ccc(CCNCc2c(O)cccc2Cl)c(OC)c1	776112086	DAEDNONIHBMZLW-UHFFFAOYSA-N	321.804	3.395	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2C[C@H]2C(F)(F)F)c(C)n1-c1ccccn1	871206851	OJRBVLYDRNWIME-CHWSQXEVSA-N	323.318	3.170	10	20	DGCD	
CCC1(CO)CCN(Cc2cc(Cl)cc(F)c2O)CC1	775713421	NGAZZUMQECZCRG-UHFFFAOYSA-N	301.789	3.169	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@H](O)CC1(O)CCCCC1	878152798	YQNNRPZGDSPSDD-QGZVFWFLSA-N	321.461	3.050	10	20	DGCD	
Cc1ccc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1	876728604	QNSYPAYGQCINTF-ZDUSSCGKSA-N	308.422	3.046	10	20	DGCD	
CN1CCN(c2ccc(CN3CC[C@@H]3c3ccccc3)cc2)CC1	775634736	VUINDJRUAJNPIC-OAQYLSRUSA-N	321.468	3.385	10	20	DGCD	
CC[C@H](C)[C@@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792977526	XZKRAIHRLKSZSQ-NHYWBVRUSA-N	318.383	3.268	10	20	DGCD	
CCC[C@@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792972780	CQEPVDOTMKZBNU-CYBMUJFWSA-N	304.356	3.022	10	20	DGCD	
COCC[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F	792951987	NDZXLSPUXVHGOY-LLVKDONJSA-N	304.356	3.286	10	20	DGCD	
Cc1cc(C(=O)OC[C@@H]2CCO[C@H]2C)c(C)n1-c1ccccn1	793418519	CDQVSCGXJNOBCS-GJZGRUSLSA-N	314.385	3.071	10	20	DGCD	
C[C@H]1[C@@H](NCc2ccc3c(c2)CCCN3C)CC[C@@H]1CC(=O)O	1609840461	KNIBMKVNZBNJMW-UNEWFSDZSA-N	316.445	3.048	10	20	DGCD	
C[C@@H]1C[C@H](CN(C)Cc2ccc(N3CCCC3)cc2)CCN1	1576597020	CRJNNKMACDDRAZ-SJLPKXTDSA-N	301.478	3.107	10	20	DGCD	
COc1ccc(CNCC[C@@H](C)NC(=O)[C@@H](C)C(C)C)cc1C	1754007461	MYBUVYWZLVIRII-CVEARBPZSA-N	320.477	3.280	10	20	DGCD	
CCN1CCCc2cc(CNCC(C)(C)CC(=O)O)ccc21	1776876078	QSDPZSWBIYLVBM-UHFFFAOYSA-N	304.434	3.050	10	20	DGCD	
C[C@H](NCc1csc(N(C)C)n1)c1ccc(N(C)C)cc1	157056718	XAJSTRIXKZDOAU-LBPRGKRZSA-N	304.463	3.126	10	20	DGCD	
COc1ncccc1CNCc1cc(Cl)cc(Cl)c1O	37650371	RFKJQXZARIKILU-UHFFFAOYSA-N	313.184	3.392	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NOCCC(F)(F)F	119690500	BBSLBCINOKDYTG-UHFFFAOYSA-N	320.311	3.198	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCCc2cc(F)ccc21	104278128	AWGJMUIYEXALAZ-ZZXKWVIFSA-N	300.308	3.352	10	20	DGCD	
Cc1ccc(N2C(=O)/C(=C\c3cnn(C)c3)SC2=S)cc1	21957179	BWFXDMSEAAOFEP-NTUHNPAUSA-N	315.423	3.134	10	20	DGCD	
COC(=O)[C@H](C)CN(Cc1ccc(N2CCCC2)cc1)C1CC1	1342502429	GJWLNDXBMNXFHI-OAHLLOKOSA-N	316.445	3.060	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cccc2c1OCCO2	171342851	MUXUWRSGPIJTFI-UHFFFAOYSA-N	312.413	3.156	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1CCN(C2CC2)c2ccc(F)cc21	185267680	WYIUGLYCCDGEPD-FPYGCLRLSA-N	323.371	3.250	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC[C@H](N2CCCC2)CC1	129218009	KMCIJSFRJILOGK-AWEZNQCLSA-N	308.853	3.496	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(s1)CCC2	183483293	HNZFYEVOAVQASI-SNVBAGLBSA-N	317.410	3.009	10	20	DGCD	
C[C@H](NC[C@H](CO)c1ccccc1)c1ccc(F)c(F)c1O	187748103	IPZQRMZOZMTSEF-WCQYABFASA-N	307.340	3.097	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC(N2CCCCC2)CC1	132477313	MHXLXFBWLHPTMT-UHFFFAOYSA-N	308.853	3.496	10	20	DGCD	
CCCN(Cc1ccc(C(=O)OC)o1)Cc1ccccc1O	75829198	RCWXQRGSKJIYHO-UHFFFAOYSA-N	303.358	3.184	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@]1(O)CCC[C@H](C(F)(F)F)C1	188807580	YNZCGZBFNFYOAI-FZMZJTMJSA-N	321.314	3.105	10	20	DGCD	
CC(C)CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	42905744	ISNSAYQFFGJDQS-MRXNPFEDSA-N	320.433	3.129	10	20	DGCD	
COc1cc(Cl)cc(CNCCc2ccc(O)cc2)c1O	228672503	ABJJNVMHFTUTIR-UHFFFAOYSA-N	307.777	3.092	10	20	DGCD	
CN(C)Cc1cccc(NC(=O)N(C)Cc2ccccc2O)c1	47505638	CCXTWMJSIYGIBY-UHFFFAOYSA-N	313.401	3.118	10	20	DGCD	
C[C@H]1CCCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	424706955	ZSMVFJOIAOMXBX-DZGCQCFKSA-N	302.418	3.304	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(C1CC1)C1CC1	92704029	XGZOUGVEVVJIDT-UHFFFAOYSA-N	300.446	3.144	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)cc1)NCCc1ccc(O)c(O)c1	255658038	CTIJJPLBUABFMW-YWEYNIOJSA-N	317.772	3.123	10	20	DGCD	
COc1cc(C)ccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273588433	OMPZDZOYLFHYMB-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
CN(CCCN(C)Cc1cc(F)ccc1O)Cc1ccco1	289913103	VEEBBYIVNSYFTB-UHFFFAOYSA-N	306.381	3.078	10	20	DGCD	
CC[C@H](NCCCOC[C@H]1CCCO1)c1ccc(C)cc1O	280028728	HYFPYDXDIDBHFQ-WBVHZDCISA-N	307.434	3.327	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ncnn2C(C)(C)C)c2c(O)ccc(F)c21	800500072	PPHKPLPTQWVXOE-PWSUYJOCSA-N	318.396	3.216	10	20	DGCD	
CCN(CC)Cc1ccc(C(=O)NCc2ccccc2O)cc1	299555492	MBQSEMWJCNYZKS-UHFFFAOYSA-N	312.413	3.164	10	20	DGCD	
Cc1cccc(CN(CCc2ccccc2)CCN(C)C)c1O	809730525	RBIDXDJCYIVFMI-UHFFFAOYSA-N	312.457	3.307	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@]2(O)CCc3ccccc32)c(O)c1	815598639	ZDEYYNTZNNDXAT-FOIQADDNSA-N	311.425	3.494	10	20	DGCD	
CC[C@@H](c1ccccc1)N1C(=O)CN(Cc2ccccc2O)C1=O	819166363	VAMMTAIEMLCQOG-INIZCTEOSA-N	324.380	3.308	10	20	DGCD	
Cc1cnn([C@H]2CCN(Cc3cc4c(cc3O)CCCC4)C2)c1	811799558	WUCPVIQXKGEYPC-SFHVURJKSA-N	311.429	3.223	10	20	DGCD	
CCn1ccnc1CN(Cc1ccc(N(C)C)cc1)C(C)C	730081410	ROCQJCMBVLMDHW-UHFFFAOYSA-N	300.450	3.380	10	20	DGCD	
CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(N2CCCCC2)cc1	834903650	KBFQZBUYLKTWSD-ATZDWAIDSA-N	318.461	3.131	10	20	DGCD	
O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cc(O)cs1	732290785	AYPTULDOSPMILM-HNNXBMFYSA-N	313.378	3.070	10	20	DGCD	
CCC1(CN[C@H](C)c2ccc(Br)cc2O)COC1	834898220	AFMNUCKKIBUNSP-SNVBAGLBSA-N	314.223	3.232	10	20	DGCD	
CC[C@@H]1OCC[C@H]1NCc1cc(C)cc(Br)c1O	839191275	GIYMSAGUNPAUKF-OLZOCXBDSA-N	314.223	3.120	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cnc(C)cc2C)c1	834904362	XJEJSJMVNQPAEZ-CYBMUJFWSA-N	314.385	3.041	10	20	DGCD	
Nc1ccc(CNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1	837302766	FWRDYZFXTPXDPE-UYAOXDASSA-N	306.409	3.179	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(C(C)C)[nH]n2)cc1	918111609	RBQFVVGXRIIDRT-UHFFFAOYSA-N	314.433	3.309	10	20	DGCD	
Cc1cnccc1CC(=O)NCc1ccc(N2CCCCC2)cc1	848225159	DESSVCCCEUOHIB-UHFFFAOYSA-N	323.440	3.239	10	20	DGCD	
CC(=O)Nc1cccc(NC(=S)NNc2ccccc2C)c1	913139677	VHESXPDCOBJDGG-UHFFFAOYSA-N	314.414	3.267	10	20	DGCD	
Cc1ccc(O)c(CN2CCCCN2C(=O)OC(C)(C)C)c1	846069547	JGRISFBTUGHWTF-UHFFFAOYSA-N	306.406	3.449	10	20	DGCD	
CCN1CCC(CCNCc2ccc(N(C)C)cc2C)CC1	840933558	HUZFMLPHIQHJIR-UHFFFAOYSA-N	303.494	3.273	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]([C@H]3CCNC3)C2)cc1	843125731	GKKMLMPQVDXSSV-RBUKOAKNSA-N	315.505	3.354	10	20	DGCD	
C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](c2ccsc2)O1	841300912	WORJLHXRMQEWGS-XHDPSFHLSA-N	317.414	3.324	10	20	DGCD	
Cc1nc(C)c(CCNCc2ccc3c(c2)CCCO3)s1	921716349	MHSAWYLEKSEKBB-UHFFFAOYSA-N	302.443	3.417	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCOCC2CCOCC2)c(O)c1C	756602803	FODNKNYDLMABIX-MRXNPFEDSA-N	321.461	3.493	10	20	DGCD	
CCN(CC)CCOCCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	757675117	ZYBJTKDQRPVOJV-HIFRSBDPSA-N	324.440	3.028	10	20	DGCD	
CNC(=O)CC1(CN[C@@H]2CCc3cccc(O)c32)CCCCC1	850553953	ABXAUPYXVXSYQL-OAHLLOKOSA-N	316.445	3.056	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1nc(Cl)cs1	857548164	GNOAJTFZTJGHIR-UHFFFAOYSA-N	303.170	3.086	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cc(F)ccc2OC)c1	756857698	QBJVOWVXWDITIC-JTQLQIEISA-N	319.332	3.500	10	20	DGCD	
CN(C)c1ccc(CN(c2cc(Cl)nc(O)n2)C2CC2)cc1	858357203	GBEYLYLZUHWBFF-UHFFFAOYSA-N	318.808	3.071	10	20	DGCD	
CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1(C)C	756788829	DBHIUPVRDSPCRE-ANGCBRKESA-N	308.378	3.011	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)C[C@@H]3CCOC3)CC2)cc1	766583231	RYHUVCCYLMUPHV-CVEARBPZSA-N	318.461	3.069	10	20	DGCD	
CCN1CCN(c2ccc(CN[C@H](C)C3CCC3)cc2F)CC1	765853420	RVIGVFNJDLXURC-OAHLLOKOSA-N	319.468	3.246	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](CC)N(CC)CC	764228229	WDWRFZYSXSOPBE-MRXNPFEDSA-N	306.450	3.251	10	20	DGCD	
CCOc1ccc(CN2CCN(C3CCCCC3)CC2)c(O)c1	768241536	SKZVRCUPKYUWAU-UHFFFAOYSA-N	318.461	3.241	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](C)[C@@H]2C)cc1	765982727	IKQAILGMDONVMP-JKSUJKDBSA-N	312.413	3.344	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCc3cc(O)ccc3C2)cc1F	767729863	WJTGXVIBWZHPNI-MRXNPFEDSA-N	314.404	3.244	10	20	DGCD	
COc1cccc(O)c1CNCCC1CC(OC(C)(C)C)C1	762462304	VQGYIXIKIHOWTE-UHFFFAOYSA-N	307.434	3.474	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cc2c(s1)CCNC2	873202521	YDSCARGONNVIEE-UHFFFAOYSA-N	315.486	3.092	10	20	DGCD	
COc1ccccc1C1(C(=O)N(C)c2ccc(N)cc2)CCC1	1119242721	GODREPCZGFRMAO-UHFFFAOYSA-N	310.397	3.362	10	20	DGCD	
CC[C@@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O	775488058	GJYJDLJYWWVAMK-MAUKXSAKSA-N	317.404	3.423	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)Nc1c(Cl)ccc2nonc12	1120344207	MCESSSZDIFVNTJ-DAFODLJHSA-N	318.695	3.062	10	20	DGCD	
Cc1ccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1O	775412560	YNNUGTKPDVOOPZ-CQSZACIVSA-N	312.413	3.187	10	20	DGCD	
CCN(C)c1ccc(CN(C)CCCn2ccnc2C)cc1	773809627	STCTYDPHWYGBIF-UHFFFAOYSA-N	300.450	3.170	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(=O)CC[C@H]1C	885095718	SQBVSPAXVVUECS-LLVKDONJSA-N	316.426	3.349	10	20	DGCD	
C[C@H]1CCC[C@H](Cn2cc(COc3ccc(N)cc3)nn2)C1	881326145	XUSRELDOFTVWGS-KBPBESRZSA-N	300.406	3.266	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3ccc(F)cc3)C2)cc1	76361089	DZGNCUZVZCFQRN-INIZCTEOSA-N	314.404	3.450	10	20	DGCD	
COCC[C@H](Cc1ccco1)NCc1ccc(N(C)C)c(F)c1	784624766	HGWBSUZHDBCKJT-OAHLLOKOSA-N	320.408	3.222	10	20	DGCD	
CC(C)(C)C[C@H](CO)NCc1ccc(Br)cc1O	691395516	MUIXGWRYACLCQK-GFCCVEGCSA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCc2csnn2)cc1	1318594948	JIDJLNNBEIKMBF-UHFFFAOYSA-N	313.382	3.303	10	20	DGCD	
CSc1ccc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)cc1	1320059433	MTPIYEYIBABKAU-UHFFFAOYSA-N	324.409	3.470	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(C)c3ccccc3n2)c(O)c1	1256369009	ASBUOAARBINOLX-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
Cc1cccnc1[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O	1342961756	XQNAPQJIBUWMGK-LLVKDONJSA-N	319.792	3.309	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3ncccc3C)C2)cc1	1345659969	HMBHEFGWPQNXCJ-INIZCTEOSA-N	311.429	3.015	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCc2ccc(C(=O)O)cc2C1	1600236334	DZLYWASNPWVVQO-UHFFFAOYSA-N	324.424	3.318	10	20	DGCD	
C[C@H]1C[C@@H](CN(C)Cc2ccc(N3CCCC3)cc2)CCN1	1576597022	CRJNNKMACDDRAZ-WMZOPIPTSA-N	301.478	3.107	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@H]3CCCC[C@@]3(C(=O)O)C2)cc1	1776856109	QDTMOPUOVTXSML-VQIMIIECSA-N	316.445	3.220	10	20	DGCD	
Cc1cc2cc(C(=O)NCc3ccc(O)c(O)c3)oc2cc1C	158960117	NETNJLFWGVZOPC-UHFFFAOYSA-N	311.337	3.391	10	20	DGCD	
C[C@H](CCc1ccccc1F)C(=O)NCc1ccc(O)c(O)c1	158995667	CGMDLRNBCQZFJE-GFCCVEGCSA-N	317.360	3.122	10	20	DGCD	
CC(C)(C)c1cnc(SCCn2cc([N+](=O)[O-])cn2)s1	164338752	UYFJWEPHOLCSSS-UHFFFAOYSA-N	312.420	3.338	10	20	DGCD	
Nc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1	323776930	BVOYVBLDOQNOLL-UHFFFAOYSA-N	324.428	3.009	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1	106958318	GOPSSCVXUCGGGX-UHFFFAOYSA-N	310.401	3.315	10	20	DGCD	
CC(C)CN(C(=O)COc1ccc(N2CCCC2)cc1)C1CC1	178196150	PCSDSBOOTNUNKI-UHFFFAOYSA-N	316.445	3.313	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCOc2ccccc21	115281312	NIHHIEGHWXIFIS-SFHVURJKSA-N	324.424	3.244	10	20	DGCD	
CCc1noc(C)c1CN(C)c1cc(OC)c(OC)c(OC)c1	119389498	WYRDRDJYDGBWMQ-UHFFFAOYSA-N	320.389	3.208	10	20	DGCD	
Cc1ccc(Cl)cc1NC(=O)NCc1ccc(O)c(O)c1	119504364	RNYMNKWQXYEREE-UHFFFAOYSA-N	306.749	3.381	10	20	DGCD	
CCn1nccc1/C=C1\SC(Nc2ccccc2C)=NC1=O	178864463	BLNBIPYRDNZHNS-UVTDQMKNSA-N	312.398	3.294	10	20	DGCD	
COc1cc(O)c(CNC2(c3ccccc3F)CC2)cc1OC	182400063	BVQIUKKVNXNCBO-UHFFFAOYSA-N	317.360	3.327	10	20	DGCD	
CCOc1ccc(O)c(CN2CC[C@H](CN3CCCCC3)C2)c1	93683800	ITGHMGFQCNJGEB-MRXNPFEDSA-N	318.461	3.099	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1O	248558372	AGXZVKZOZAVQQP-OUCADQQQSA-N	306.406	3.025	10	20	DGCD	
COC1(CC(=O)NCc2c(C)c3ccccc3n2C)CCC1	348658481	DWGLZDUHFJQMII-UHFFFAOYSA-N	300.402	3.062	10	20	DGCD	
CS[C@@H](CO)[C@H](C)NCc1cc(-c2ccccc2)ccc1O	265738634	DFSQVMVKXALOTF-UGSOOPFHSA-N	317.454	3.261	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cc(OC)ccc2O)n[nH]1	277223584	LMUYZDXPLXFUND-SDDRHHMPSA-N	318.421	3.444	10	20	DGCD	
Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3cccc(C)c3O)n2)c1	279141614	ZFQQVPKXVFYFSU-CYBMUJFWSA-N	323.400	3.040	10	20	DGCD	
C[C@@H](NCc1cnc2n1CCCC2)c1cc(Cl)ccc1O	375273256	YUNKWZLMLPCCGJ-LLVKDONJSA-N	305.809	3.429	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)[C@H]1CCCO1	278838955	PKECFUCEGVMFMS-SOVGHPHASA-N	319.445	3.116	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cncc(C(F)(F)F)c1	809613176	MYINQIFBDIJYNO-UHFFFAOYSA-N	310.275	3.078	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)c3ccccn3)C2)cc1	818342162	MTNOLWYJYDTTHG-CVEARBPZSA-N	311.429	3.267	10	20	DGCD	
COC1([C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)CCOCC1	817589066	SZFTUFLLJYPQOB-LSDHHAIUSA-N	307.434	3.244	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1)c1ccc(N2CCCCCC2)cc1	817951229	CBMNVYOILCSFQR-FUHWJXTLSA-N	301.478	3.470	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](CO)C2CCCCC2)cc1F	815150810	PAGHLMUUOQSWBI-INIZCTEOSA-N	308.441	3.170	10	20	DGCD	
COc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)cc1C	810165606	XCQBHISVEHDIET-AZUAARDMSA-N	311.425	3.259	10	20	DGCD	
CC[C@H](C)[C@@](C)(O)CNCc1ccc(Br)cc1O	825265926	GCBFIUPIPZCORJ-HZMBPMFUSA-N	316.239	3.041	10	20	DGCD	
C[C@H](CC1CCC1)NCc1cc(F)c(N2CCOCC2)c(F)c1	839146099	WKRIYEYBZDQUCL-CYBMUJFWSA-N	324.415	3.470	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2ccccc2CC1	836921947	JUOXYFNYVXCGRJ-NTMALXAHSA-N	323.392	3.129	10	20	DGCD	
O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(O)cs1	732277528	JQWFQISGTDXCLQ-CZUORRHYSA-N	317.410	3.351	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2oc(C)nc2C)cc1	746104837	FHWBVRVNRJGEBI-UHFFFAOYSA-N	315.417	3.410	10	20	DGCD	
O=C(O)CN(Cc1ccc(N2CCCCC2)cc1)C1CCC1	848641148	YZIYQAWBMYEUJG-UHFFFAOYSA-N	302.418	3.116	10	20	DGCD	
CC(C)(C)OC1CC(CCNC(=O)Nc2ccc(N)cc2)C1	841297795	VJNLFUBOHKIPOG-UHFFFAOYSA-N	305.422	3.374	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@H]2c2ccsc2)cc1	841963345	ZEMRURSGGKVJRP-INIZCTEOSA-N	315.442	3.420	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@@H](CN)C2)cc1	843048387	QBOUFWWLPGKUBG-FQEVSTJZSA-N	323.484	3.494	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCCC[C@H]1[C@@H]1CCCN1	843047980	GDXYAKHFROVLAG-OALUTQOASA-N	301.478	3.168	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H]2CCCc3nc(C)ncc32)c1O	846146922	SWYNDLIWUMWJJY-IAQYHMDHSA-N	313.401	3.227	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)ns2)c1	749231861	DQKXMNHDUPBGLP-VIFPVBQESA-N	307.375	3.048	10	20	DGCD	
C[C@H](NCC1(N(C)C)CC1)c1cccc(C(F)(F)F)c1O	841763964	TZPMCKCRICZBBK-JTQLQIEISA-N	302.340	3.156	10	20	DGCD	
COc1ccc(CNC[C@H](CO)c2ccc(F)cc2)cc1C	840963113	LDISTTUHSRUUJI-MRXNPFEDSA-N	303.377	3.008	10	20	DGCD	
NC1(CNCc2ccc(N3CCCCC3)cc2)CCCCC1	841039611	WJKUHQQHQUYBPJ-UHFFFAOYSA-N	301.478	3.428	10	20	DGCD	
O=C(NCCC(F)(F)F)NCc1ccc(N2CCCC2)cc1	743552858	TWSKSCYLOVRPSZ-UHFFFAOYSA-N	315.339	3.038	10	20	DGCD	
C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O	921076531	ZHQYXJUBJCWAOD-ZDUSSCGKSA-N	301.361	3.369	10	20	DGCD	
Cc1ccccc1[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F	858147917	DQCUQHBMZRLLQA-QGZVFWFLSA-N	320.383	3.162	10	20	DGCD	
CC(C)Cc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	755701907	YYADFYHCRXJBBA-AQTBWJFISA-N	320.392	3.347	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2cnc(C3CC3)o2)cc1	862325454	BYCANRUZKYKCOK-UHFFFAOYSA-N	315.417	3.129	10	20	DGCD	
CC(C)Oc1ccc(N(C)C(=O)c2cccc(O)c2O)cc1	760677210	IPLBIEFZCSPOEL-UHFFFAOYSA-N	301.342	3.162	10	20	DGCD	
CN1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCCC2)cc1	1115862244	KEWFZKHSAITUGM-SFHVURJKSA-N	307.397	3.483	10	20	DGCD	
COc1cccc(O)c1CN1CCN(C2CCC(C)CC2)CC1	769421601	CYEFXPAIAVIFIQ-UHFFFAOYSA-N	318.461	3.097	10	20	DGCD	
CCC[C@@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)CCO1	779916578	UMHDURKBNNKSRZ-MAUKXSAKSA-N	318.461	3.273	10	20	DGCD	
CCc1ccccc1NC(=O)CN(C)Cc1cccc(C)c1O	775643188	OCBVHVBLSPTCPW-UHFFFAOYSA-N	312.413	3.334	10	20	DGCD	
CC(C)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	777301271	IZBAEMUAFLVSSQ-INIZCTEOSA-N	321.465	3.316	10	20	DGCD	
CCCCOc1ccc(NCc2cc3c(cc2O)OCO3)cn1	775351739	ULIONSVUNOONGZ-UHFFFAOYSA-N	316.357	3.307	10	20	DGCD	
C=C/C=C\CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	883267562	KFIFTNFXPCBDHC-FOSCPCJNSA-N	304.409	3.445	10	20	DGCD	
CCOc1ccc(CN[C@H]2CCCO[C@H]2CC(C)C)c(O)c1	775371638	OPBCTTPEDSRACZ-WMZOPIPTSA-N	307.434	3.474	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1ccc(N2CCCC2)cn1	882908381	PAEVYXJXCHFLGL-UHFFFAOYSA-N	305.328	3.278	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@H]1C[C@@H](O)c1ccco1	894096674	WEBMHVWOZDPGJI-DZGCQCFKSA-N	323.339	3.352	10	20	DGCD	
C[C@@H](O)C[C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1F	790934285	JTQPVNNUOFFOIO-MNOVXSKESA-N	301.789	3.310	10	20	DGCD	
CCc1ccc([C@H](O)CN[C@@H](C)c2ccc(F)cc2O)cc1	797020622	WEKIMLZBYKITKQ-KPZWWZAWSA-N	303.377	3.478	10	20	DGCD	
Cn1nccc1[C@H]1CCC[C@H](NCc2ccc3c(c2)CCO3)C1	790486108	LFHZEFAGEIWCTL-RDJZCZTQSA-N	311.429	3.171	10	20	DGCD	
CCOC[C@H]1CCN(Cc2cc(Br)ccc2O)C1	93838581	RTMICBHYVJAWLB-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
CCC[C@H](C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089817076	HUHFXLGVYBAEPQ-AWEZNQCLSA-N	319.424	3.300	10	20	DGCD	
CCCC(=O)NCCC1=CCN(c2ccnc(C(C)C)n2)CC1	1089804614	PDUBYIFSMGANKM-UHFFFAOYSA-N	316.449	3.043	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC1CCC1	1345746130	APUHWQDIRJFSHA-OAHLLOKOSA-N	317.477	3.434	10	20	DGCD	
O=C(O)c1ccc(CNCc2cc(Cl)cc(Cl)c2O)[nH]1	1602348863	YSLCZHDGWYRRSC-UHFFFAOYSA-N	315.156	3.015	10	20	DGCD	
CCN(C)c1ccc(CN2CCc3cc(C(=O)O)ccc3C2)cc1	1596194337	IXMDKIWKTIIKGN-UHFFFAOYSA-N	324.424	3.399	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@@H]2CCN(C3CC3)C2)cc1	152401400	OIAZLITVAMVKEV-HOTGVXAUSA-N	301.478	3.278	10	20	DGCD	
CN(C)C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1	179634707	BRBFHSPJFJBGFV-JTQLQIEISA-N	303.233	3.083	10	20	DGCD	
CCC[C@]1(NCc2cccc(Br)c2O)CCOC1	378723738	AGCWJXSDIQKKED-AWEZNQCLSA-N	314.223	3.204	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1)Cc1cccc(C)c1O	179666734	IYKYNLZAQQDARE-UHFFFAOYSA-N	313.397	3.266	10	20	DGCD	
CC[C@H](CSC)NC(=O)N(CC)Cc1ccc(N(C)C)cc1	179978620	WQYQZXJIHLYPHW-OAHLLOKOSA-N	323.506	3.426	10	20	DGCD	
CC[C@H](Oc1ccccc1F)C(=O)N(C)Cc1ccccc1O	175345748	FRWXWXSOYOCLNT-INIZCTEOSA-N	317.360	3.347	10	20	DGCD	
CC(C)[C@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	172229930	TXUGYWVUWSOMKU-HOCLYGCPSA-N	305.418	3.192	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@](C)(O)c2ccco2)cc1	174529917	DTTOPBWGCBYTGM-SFHVURJKSA-N	302.418	3.123	10	20	DGCD	
CCC(CC)(CN[C@H](C)c1cc(OC)ccc1O)C(=O)OC	183877406	GTDQMRFMDKCVCU-GFCCVEGCSA-N	309.406	3.031	10	20	DGCD	
COc1ccc(O)c([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1	124723200	SXBANVHOZHWXBO-OAHLLOKOSA-N	318.760	3.251	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc3nc(C)ccc3c2)c1O	121772329	RZOHEWNUFOVLQW-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
COc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2O)cc1	186837357	MGUIFNOJNQLEGI-OAHLLOKOSA-N	313.353	3.084	10	20	DGCD	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(O)c1O	188154321	CIBUXQAOXMXLKX-VIFPVBQESA-N	307.296	3.209	10	20	DGCD	
C[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(N(C)C)cc1	182134342	IJPODYSRBKVMHX-CRAIPNDOSA-N	318.461	3.479	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCCCCC1	46984410	MFDLTZFKNPHVLT-UHFFFAOYSA-N	301.434	3.372	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1n1ccnc1	91960336	PZHIOQPXSALXDU-DOMZBBRYSA-N	305.809	3.325	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2cccc(F)c2)c1	255868057	OYVMKAMKKBGULV-PWWFUAJNSA-N	315.344	3.431	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@@H](C)CCO)c2C)c1	268900439	UEVYRGRUSJLDDJ-AWEZNQCLSA-N	314.429	3.151	10	20	DGCD	
C[C@@H](CC[S@](C)=O)NCc1cc(-c2ccccc2)ccc1O	268408183	GMIGBLMRJGAGBC-FPTDNZKUSA-N	317.454	3.306	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cn(C)nc1C(F)F	274435776	ABMCEEMLGNZTAT-UHFFFAOYSA-N	322.403	3.446	10	20	DGCD	
COc1cccc(CN[C@@H](C)[C@H](OC)c2ccc(F)cc2)c1O	271331572	FQGDJBSWUDWAKD-SGTLLEGYSA-N	319.376	3.406	10	20	DGCD	
CCOc1cccc(CNCC[C@@H](O)c2ccccc2)c1O	289467435	PACCNGGHCIFMRQ-MRXNPFEDSA-N	301.386	3.004	10	20	DGCD	
CC[C@@H](NC[C@H]1CCc2nccn2C1)c1ccc(F)cc1O	287675877	VZPUOQPYEZOQOV-IUODEOHRSA-N	303.381	3.031	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC2(CCOCC2)[C@H]1C1CC1	293560540	GAVDREBGPQNDPS-MRXNPFEDSA-N	307.821	3.437	10	20	DGCD	
C[C@H](NC(=O)c1ccnc2ccncc12)c1ccc(N(C)C)cc1	807274208	LETMCMSMQFMHAA-ZDUSSCGKSA-N	320.396	3.187	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)CCC=C(C)C)c1O	298001969	DDRHPFVVONFECW-CYBMUJFWSA-N	306.406	3.335	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1C[C@H]2CC[C@H]1C2	298610416	GSEKVHDHNFMPEX-RZLSGREXSA-N	302.418	3.358	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](C(C)C)C2(CO)CCC2)c1O	293138651	STKZHKNQPUFVMG-KRWDZBQOSA-N	323.408	3.011	10	20	DGCD	
COc1cccc(O)c1CN(C)Cc1ccc(CN(C)C)cc1	809739122	YCVZXYQEINPFDC-UHFFFAOYSA-N	314.429	3.094	10	20	DGCD	
CC[C@@H](NCC(C)(C)CO)c1ccc(C(F)(F)F)cc1O	810228039	PVIXYPPFPJBYCS-GFCCVEGCSA-N	305.340	3.470	10	20	DGCD	
COCCOc1ccc([C@H](C)NCCc2ccc(N)cc2)cc1	817956240	UQVDXXSGECYRDN-HNNXBMFYSA-N	314.429	3.187	10	20	DGCD	
C[C@H]1COCCN1c1ccc(NCc2cc(F)ccc2O)cc1	817406507	UKPOGXJGQQDKOD-ZDUSSCGKSA-N	316.376	3.369	10	20	DGCD	
C[C@@H](NCc1cnn(CC2CCC2)c1)c1cc(F)ccc1O	903240493	SORNDAZCNYMRMX-GFCCVEGCSA-N	303.381	3.379	10	20	DGCD	
CC[C@@H](N[C@H]1CCCN(CC)C1=O)c1cccc(Cl)c1O	903388224	LYQLPJZYPUJOLT-KGLIPLIRSA-N	310.825	3.097	10	20	DGCD	
O=C(O)CSCc1cccc(NC(=O)c2cc(O)cs2)c1	739871905	RYTTUUHNVHOCGS-UHFFFAOYSA-N	323.395	3.024	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@H]2CC(C)C)c1	838754098	FGYCPMMJHMIVOB-YWPYICTPSA-N	306.406	3.196	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccnc1C	839919960	YHSASCYWVYBRMP-AWEZNQCLSA-N	311.429	3.125	10	20	DGCD	
Cc1nccn1-c1ccc(CN[C@@H]2CCc3cccc(O)c32)cn1	834523464	UQKCVOUYCXXSTE-MRXNPFEDSA-N	320.396	3.058	10	20	DGCD	
CC[C@@](C)(O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C	743759189	QDMITCNMJDFVQD-LJQANCHMSA-N	314.429	3.293	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cccc(N2CCCC2)c1	748460855	RJULIIKOIOKLPL-UHFFFAOYSA-N	311.385	3.314	10	20	DGCD	
CCOc1ccc(O)c(CNCc2cccc3c2CCCN3)c1	841082996	LIPAFMSLDAXOJF-UHFFFAOYSA-N	312.413	3.439	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](C3CCC3)C2)cc1F	840280321	HUJGYQBXRDXDBA-OAHLLOKOSA-N	319.424	3.223	10	20	DGCD	
CCOCC(C)(C)CNCc1cc(F)c(N(C)C)cc1F	858165645	WLKCSKVHYKQULR-UHFFFAOYSA-N	300.393	3.183	10	20	DGCD	
Cc1occc1-c1nnc(NCc2ccc(N(C)C)c(F)c2)o1	758440200	CMGRANDZASCRQV-UHFFFAOYSA-N	316.336	3.455	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2CCCN(CC3CC3)C2)cc1F	853093593	ORMKFUFZSUYROP-KRWDZBQOSA-N	319.468	3.103	10	20	DGCD	
CC[C@H](C)[C@H](NC(=O)NCc1cc(C)ccc1O)C(F)(F)F	861021519	DJUKOKLAVVZGRK-GWCFXTLKSA-N	318.339	3.477	10	20	DGCD	
CC(C)OC1CC(N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	769994766	ITAXIZFNHXYWRB-LSJNQWAISA-N	318.461	3.130	10	20	DGCD	
C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(N2CCCCC2)cc1	760035566	BAXSQMHUTMHSKL-UKRRQHHQSA-N	312.404	3.344	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC(F)(F)C1	763627593	OXJAHOXFGRVLSL-AWEZNQCLSA-N	321.371	3.050	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cnn(CC(C)C)c2C)c1	860846413	RBHCBGIMURLECI-UHFFFAOYSA-N	316.405	3.183	10	20	DGCD	
NC[C@@H]1CN(Cc2cccc(Cl)c2O)CC[C@@H]1C(F)(F)F	863645975	OZHJDYCLPVBECJ-MNOVXSKESA-N	322.758	3.005	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(Cl)no2)cc1	873862612	UYSJGGRMQSODBX-UHFFFAOYSA-N	321.808	3.446	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)N1c2ccccc2C[C@H]1C	879648719	ASEAHWLHCRWWMA-RBSFLKMASA-N	324.424	3.409	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(C)C1)c1ccc(Cl)c(Cl)c1O	775498452	KFJRHAHIUBKLOO-SKDRFNHKSA-N	303.233	3.444	10	20	DGCD	
C[C@H](NC[C@H]1C[C@H](N)C1)c1ccc(N2CCCCC2)c(F)c1	873258785	UTXUJTDITMFRRX-DZKIICNBSA-N	305.441	3.204	10	20	DGCD	
COc1cc2c(cc1OC)CN(Cc1ccc(C)cc1O)CC2	876531463	GUKXPQQIMXTZFO-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2cc[nH]c2n1	779494992	BTAGEAISLOFAQM-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(COC)ncn2)cc1F	782147452	RNPLEKPJYXZWEK-UHFFFAOYSA-N	318.396	3.220	10	20	DGCD	
CN(C)c1ccc(CN2CCC(Nc3ccccn3)CC2)cc1	785764754	GJGNRYRBZVRVFA-UHFFFAOYSA-N	310.445	3.224	10	20	DGCD	
O=C(COC(=O)C1CCCCCCC1)c1ccc(O)c(O)c1	783840001	YQRXHEUXWRJBLJ-UHFFFAOYSA-N	306.358	3.184	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@H](C[C@H]2CCOC2)C1	894779604	JOMOWKGADABWTD-CHWSQXEVSA-N	311.372	3.309	10	20	DGCD	
CN(Cc1cc(Cl)cc(Br)c1O)CC(C)(C)O	894026191	JOJIMADLBWFEIN-UHFFFAOYSA-N	322.630	3.011	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC=C(Cl)C1	893135130	KXYADPWXQJQINK-UHFFFAOYSA-N	317.820	3.101	10	20	DGCD	
CC(C)n1cnc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	798994281	DMCUEQMNSNAMQA-CYBMUJFWSA-N	300.406	3.021	10	20	DGCD	
COc1cc(Cl)cc(CNCCc2cccc(C)n2)c1O	793203713	XSQZCXOPJIYAMQ-UHFFFAOYSA-N	306.793	3.090	10	20	DGCD	
CC(C)[C@@]1(CO)CCN(Cc2cc(Cl)cc(F)c2O)C1	1325929361	ZGZAQXAIAOTKEB-HNNXBMFYSA-N	301.789	3.025	10	20	DGCD	
CN(C)c1ccc(OCc2cccc(Cl)n2)cc1C(=O)O	1606060483	LNIYWZBIFAZXGY-UHFFFAOYSA-N	306.749	3.078	10	20	DGCD	
Cc1cc([C@H](NCc2cccc(C)c2O)C(=O)O)ccc1F	1600150395	SMYBMCNKIDUUEM-HNNXBMFYSA-N	303.333	3.064	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNc2nc3cccc(F)c3o2)cc1	1578424730	SWTPUGPOEHHDQW-CQSZACIVSA-N	314.364	3.145	10	20	DGCD	
C[C@H](N[C@H](C)c1ncc(C(=O)O)s1)c1c(O)cccc1F	1593194870	AIVNDPZWMLTJSR-JGVFFNPUSA-N	310.350	3.098	10	20	DGCD	
Cc1ccc(C(=O)N2CCN(C3CC3)c3ccccc32)c(O)c1O	187542543	OQBMEHWWVRORSO-UHFFFAOYSA-N	324.380	3.035	10	20	DGCD	
COCC[C@H](C)N[C@@H](C)c1cc(Br)ccc1O	185290188	QMHOHFNYMGLVFZ-UWVGGRQHSA-N	302.212	3.230	10	20	DGCD	
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OC	33447507	KNYKRCKTTKOVCO-UKTHLTGXSA-N	323.439	3.315	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCO[C@]3(CCSC3)C2)c1	186136358	OYHOBVWRQLINDC-GDZNZVCISA-N	323.458	3.106	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1F	182544112	NGMZYYCRNHDMHB-SNVBAGLBSA-N	321.323	3.186	10	20	DGCD	
CC(C)c1cnc(NC(=O)/C=C/c2ccc(O)c(O)c2)s1	180819061	SNTAHGCJBFTINK-GQCTYLIASA-N	304.371	3.330	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccoc1Cl	192324401	QUCBROJMTZMWCT-UHFFFAOYSA-N	306.749	3.038	10	20	DGCD	
CC(C)(CNCc1cc2c(cc1O)OCO2)c1cccs1	83601845	ZDDLXNVLPBTYNT-UHFFFAOYSA-N	305.399	3.250	10	20	DGCD	
COc1cc(Cl)cc(CNC2CCN(C(C)C)CC2)c1O	228670186	OWAKEJNACBHQRV-UHFFFAOYSA-N	312.841	3.017	10	20	DGCD	
CN(Cc1cc(Br)ccc1O)[C@@H]1CCSC1	130478705	OQXYYUBRWNSPTH-LLVKDONJSA-N	302.237	3.092	10	20	DGCD	
COc1cccc(CNC(=O)c2scnc2C(C)(C)C)c1O	80091896	NFOSMGNVROGMRM-UHFFFAOYSA-N	320.414	3.085	10	20	DGCD	
CCOc1cccc(CN2CCOC[C@H]2c2ccc(C)o2)c1O	93459818	RHHWDQIHDBOKOI-HNNXBMFYSA-N	317.385	3.266	10	20	DGCD	
CC(C)CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	248290820	SQTVOSNXDREZDI-INIZCTEOSA-N	305.418	3.336	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2cccs2)c1	255364006	NDLFVEXVCGNJMH-JYKYSHPRSA-N	303.383	3.353	10	20	DGCD	
CC[C@@H](NCc1ccc(OC)c(O)c1)c1ccc(F)cc1O	286341810	YHLGYIXMZXOMFR-CQSZACIVSA-N	305.349	3.486	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CN(C)Cc3ccccc32)c1	370376192	XDDZTXHKNZYWNC-UGSOOPFHSA-N	312.413	3.238	10	20	DGCD	
C[C@H](NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(F)ccc1O	289846532	QEWVNDGLWGECRD-BOFPYLFWSA-N	315.388	3.348	10	20	DGCD	
CC(C)[C@@H](CO)CN[C@H](C)c1cc(Br)ccc1O	806169819	RIJBKTBYGAJJID-GHMZBOCLSA-N	316.239	3.070	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1O	296402549	UUSDDFDLEDMGQK-APHBMKBZSA-N	323.820	3.151	10	20	DGCD	
COc1cc(C)c(CNCc2cccc(OC)c2O)cc1OC	809740237	QQCGACIGPNIVBK-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)c1ccc([S@](C)=O)cc1	296687918	HABPPUIKYWXPSW-IEBOFQNGSA-N	315.438	3.468	10	20	DGCD	
Cc1nc(C2(NCc3ccc4c(c3)CCO4)CCCCC2)no1	299669552	ZXTPPDDVIUHONI-UHFFFAOYSA-N	313.401	3.262	10	20	DGCD	
CSC[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O	807835318	FRXVADFYULFSRR-SSDOTTSWSA-N	308.230	3.314	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)[C@@H](C)CC	297985357	CCTKCVHZCBOCFS-WMLDXEAASA-N	322.449	3.375	10	20	DGCD	
C[C@@H](NC[C@@H]1COc2ccccc21)c1ccc(F)c(F)c1O	290165756	DMYMPRKNLQDJCW-GHMZBOCLSA-N	305.324	3.497	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCC(=O)NC2CCCC2)c1O	808705799	SGDIMIPNCAKWAV-NSHDSACASA-N	310.825	3.063	10	20	DGCD	
Oc1c(CN2CCC(Cn3cncn3)CC2)ccc2ccccc12	816574705	PSHRLHAACZCSEI-UHFFFAOYSA-N	322.412	3.049	10	20	DGCD	
CC[C@H](O)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	817012228	FAAFTCOFWHKPGI-HNNXBMFYSA-N	320.820	3.248	10	20	DGCD	
C[C@H](NC[C@@H]1C[C@H](F)CN1)c1cc(Cl)c(Cl)cc1O	817976427	LVMYDRWOLIGJHY-CIUDSAMLSA-N	307.196	3.050	10	20	DGCD	
CC(C)C[C@@H](O)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	815572258	YLFYJAMSPZONJC-WDEREUQCSA-N	305.340	3.469	10	20	DGCD	
OC[C@@]1(NCc2cc(Cl)c(F)cc2O)CCc2ccccc21	816558630	HHRTZGKXIHIDIS-KRWDZBQOSA-N	321.779	3.108	10	20	DGCD	
C[C@@H](NC[C@@]1(C)CCCNC1)c1cc2c(cc1O)CCCC2	817965672	BQRHIQSZRXCSAI-KUHUBIRLSA-N	302.462	3.311	10	20	DGCD	
C[C@H](NCCc1ccc(N)cc1)c1ccc(Br)nc1	817956972	GRMNKZZSWVGUQK-NSHDSACASA-N	320.234	3.320	10	20	DGCD	
CCOc1ccc(CN2CC(C)(C)[C@H]2c2nccn2C)c(O)c1	824620411	NLNHZNDLFUELPB-MRXNPFEDSA-N	315.417	3.108	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1CCc2cc(F)ccc21	726240177	UEMNTAYTRZBYMT-OAHLLOKOSA-N	300.333	3.018	10	20	DGCD	
CNC(=O)c1ccc(CN2CCCc3cc(OC)ccc32)cc1	731354381	KKVZNAQEXFCOPU-UHFFFAOYSA-N	310.397	3.008	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc(C(C)=O)s1	839621705	LCXUPDCZLIEISH-UHFFFAOYSA-N	318.398	3.104	10	20	DGCD	
C[C@H](NS(=O)(=O)CCC1CCCC1)c1ccc(N(C)C)cc1	831141044	QWYCOEFCDXUBGC-AWEZNQCLSA-N	324.490	3.313	10	20	DGCD	
CCN1CCC[C@H](N[C@@H](C)c2ccc3ccccc3c2O)C1=O	903391922	JGQUILAROOBZHZ-GUYCJALGSA-N	312.413	3.207	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2C[C@@H]3CCCCN3C2=O)c1O	834914549	NPSBBVOZUPXANK-CORIIIEPSA-N	322.836	3.158	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]([C@H]3CCCNC3)C2)c1O	843127253	PBTIIIGFNADPBC-JKSUJKDBSA-N	318.461	3.003	10	20	DGCD	
CCO[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C1(CC)CC	841299507	IDGWAYPJFFXOFR-GJZGRUSLSA-N	305.422	3.374	10	20	DGCD	
Cc1cc(C(=O)COC(=O)c2cc(O)cs2)c(F)cc1F	748892823	IRNDJHGVBPOVGM-UHFFFAOYSA-N	312.293	3.080	10	20	DGCD	
COc1ccc(N(CCN2CCCC2=O)Cc2ccccc2)cc1	917085734	ZYEJNIPCADSEHV-UHFFFAOYSA-N	324.424	3.324	10	20	DGCD	
CCn1c(Cc2ccccc2)nnc1Sc1nccs1	914862464	DZFNOGQKOMCXCL-UHFFFAOYSA-N	302.428	3.497	10	20	DGCD	
Nc1cccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1	843356395	MVNGRJVADRQZSH-SFHVURJKSA-N	312.413	3.156	10	20	DGCD	
COc1ccc(CNC[C@]2(CC(=O)O)CC[C@H](C)C2)cc1C	841793933	RRGSVDIHKNUPQC-SCLBCKFNSA-N	305.418	3.374	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H]2CCCN2CC)cc1F	740001994	KUQMBTJKDGXBEV-MRXNPFEDSA-N	307.457	3.246	10	20	DGCD	
C[C@@](O)(CNCc1ccc2c(c1)CCCO2)c1ccsc1	921770284	LHTNHSCQOXZCTD-QGZVFWFLSA-N	303.427	3.070	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](OC)c2ccccc2)c1O	846147011	UQOCEBSUVPPUFG-SUMWQHHRSA-N	301.386	3.439	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCC[C@H]2C(=O)O)cc1F	840997816	NFWVKHOZGLAASH-INIZCTEOSA-N	308.397	3.111	10	20	DGCD	
CC[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)O1	756906774	ASJAYFGGDVLABB-ROUUACIJSA-N	318.461	3.449	10	20	DGCD	
COc1cccc(OC)c1CNCc1cc(C)c(C)cc1O	850356716	ZYZJGJWSCBQHMJ-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
CC(C)[C@H](O)C1(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1	756792205	ZWWGUFCLFNUFQF-NDGTYSDOSA-N	307.409	3.466	10	20	DGCD	
COC(=O)[C@@H](CC1CCCCC1)NCc1cccc(C)c1O	756147148	NKPWUVCMGGZZMG-MRXNPFEDSA-N	305.418	3.302	10	20	DGCD	
C[C@@H](NC(=O)NC1CCN(C(C)(C)C)CC1)c1ccccc1O	868124265	SAJTUHOFDNKDFN-CYBMUJFWSA-N	319.449	3.015	10	20	DGCD	
CO[C@H](CNC(=O)N[C@H](C)c1ccccc1O)C1CCCCC1	868788803	XVGSFCFWTKRBCW-CXAGYDPISA-N	320.433	3.348	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C	769469632	BWQKSDHFBSWOHL-GOEBONIOSA-N	307.457	3.196	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@](C)(C(=O)OC)C2)cc1F	769525310	HIRCIJPQWHVHPH-GOSISDBHSA-N	322.424	3.057	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCOC[C@@H]1c1ccco1	775695906	SXJWDSDLQGPMTA-CYBMUJFWSA-N	311.740	3.351	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N[C@@H]1CCCC[C@@H]1C	879647892	PITCEMCBUKOSQC-KNCOVGOOSA-N	304.434	3.126	10	20	DGCD	
COc1cccc(CNCCCCC(=O)OC(C)(C)C)c1O	773428153	OFAJJYZHCNDVQL-UHFFFAOYSA-N	309.406	3.002	10	20	DGCD	
COc1cc(F)cc(OC)c1CN[C@H](C)c1ccccc1O	877757448	JVQORFGQXJVPAK-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H](C)c1ccccc1	789991707	ZLQFTAXGJRYLHH-MNOVXSKESA-N	303.333	3.159	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2cccn(CC)c2=O)cc1	788606122	WGUFHSBRWNTWHJ-HNNXBMFYSA-N	313.445	3.175	10	20	DGCD	
CC(C)OCCCN(C)Cc1c(O)cccc1Br	707159585	JEHWHKAMPQUETG-UHFFFAOYSA-N	316.239	3.402	10	20	DGCD	
CCOc1cccc(CNC[C@H](CO)CC2CCCC2)c1O	798504271	ZHPGLPPWGTVKPN-OAHLLOKOSA-N	307.434	3.069	10	20	DGCD	
C[C@H](O)C[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1O	790934593	NRZXYHORKYGJCC-GXFFZTMASA-N	301.789	3.310	10	20	DGCD	
COc1ccc(CN[C@@H]2CCCN(C(=O)C=C(C)C)C2)cc1C	998452250	IGWQLULKMXBLDL-QGZVFWFLSA-N	316.445	3.050	10	20	DGCD	
CCOC(CCNCc1ccc(N2CCCC2)cc1)OCC	1320640762	AZWKBGILIBTFRZ-UHFFFAOYSA-N	306.450	3.166	10	20	DGCD	
Cc1ccc(C(=O)NCc2cccc(C(F)F)c2)c(O)c1O	1320509483	KORREPJYLCRJML-UHFFFAOYSA-N	307.296	3.274	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCN(CC(F)F)C1	1345143632	WIVWMLYJIGOMTF-UPJWGTAASA-N	310.388	3.178	10	20	DGCD	
O=C(O)[C@@H]1CCC[C@H]1NCc1cc(-c2ccccc2)ccc1O	1601808770	OFKFFPMTVMDASK-IAGOWNOFSA-N	311.381	3.402	10	20	DGCD	
C[C@H](NCC[C@]1(C)C[C@@]1(F)Cl)c1cc(C(=O)O)ccc1O	1604338633	PRIXQXGXSVQMKK-AMFBXLIHSA-N	315.772	3.446	10	20	DGCD	
Cc1cc(CN)cc(NCc2cc(F)c(N(C)C)cc2F)c1	1579595714	KYDFRGGVIYBEJV-UHFFFAOYSA-N	305.372	3.410	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCO[C@]3(CCSC3)C2)cc1F	151454740	XJDOHDAFZHKLAV-WMLDXEAASA-N	324.465	3.036	10	20	DGCD	
CC[C@H](N[C@@H]1COC[C@H]1C)c1cc(Br)ccc1O	699863961	KNKSUZIHAIFGSD-JIMOISOXSA-N	314.223	3.230	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1c(Cl)cncc1Cl	815796783	LZFGHOYYKVAJRK-UHFFFAOYSA-N	311.168	3.366	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cccc(Cl)c2)c1	114512529	KXIPTMZMJNMAIZ-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
CCN1CC[C@@H](NCc2ccc(N3CCCC3)cc2)[C@H](C)C1	173362635	WLFCGFDGJAFYMB-VQIMIIECSA-N	301.478	3.107	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cn(C)nc1-c1cccs1	179770604	XCAAFSFPGRANTN-UHFFFAOYSA-N	313.426	3.486	10	20	DGCD	
COc1ccc(N2CCC(Nc3ncc(C)c(C)n3)CC2)cc1	301859415	FADGUYOVTLPPRK-UHFFFAOYSA-N	312.417	3.183	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1	188807639	YNZCGZBFNFYOAI-BXUZGUMPSA-N	321.314	3.105	10	20	DGCD	
O=C(Nc1ccc(F)cc1NC1CC1)c1cccc(O)c1O	185839831	JECJTKCAWDWECN-UHFFFAOYSA-N	302.305	3.064	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2ccc3c(c2)CCO3)c1	182413744	KWUDXKIQRPMKSN-ZDUSSCGKSA-N	313.397	3.229	10	20	DGCD	
COc1cc(CN2CCC([C@@H]3CCCO3)CC2)c(O)cc1C	190171461	LGBIYEHZHHSZIE-KRWDZBQOSA-N	305.418	3.100	10	20	DGCD	
Oc1ccccc1CNCCOc1cccc(Br)c1	134229405	XKWCUTAQIQZEPC-UHFFFAOYSA-N	322.202	3.323	10	20	DGCD	
C[C@@H](NC1CCC2(CC1)OCCO2)c1ccc(F)c(F)c1O	191207309	KTSFJNNZVJLPOC-SNVBAGLBSA-N	313.344	3.007	10	20	DGCD	
CCOc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)cc1	48402592	XHGZNHSYNWRUBF-LCYFTJDESA-N	305.424	3.449	10	20	DGCD	
CN1CCC(C)(CNCc2ccc(N3CCCCC3)cc2)CC1	324199188	XZWWRMTYMSEICK-UHFFFAOYSA-N	315.505	3.498	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccc(OC(F)F)c1	237639822	PNYHLTXSXIVQDM-LLVKDONJSA-N	320.339	3.290	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC[C@H](C)CC2)c1	247285442	ZQWMXFBUVDHCFO-JHJVBQTASA-N	306.406	3.340	10	20	DGCD	
O=C(CC1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	248004952	SPLTYZJOUGQXAY-KRWDZBQOSA-N	317.429	3.480	10	20	DGCD	
CCn1cc(N2C(=O)/C(=C\c3ccsc3)SC2=S)cn1	255506618	RHGAKVREIPRADS-VZUCSPMQSA-N	321.452	3.370	10	20	DGCD	
CCCCN(Cc1nc(C2CC2)no1)Cc1ccccc1O	282392483	GZMNOAVBMLRSDM-UHFFFAOYSA-N	301.390	3.455	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)N[C@@H]2CCc3cccc(O)c32)n[nH]1	296404346	KNJHDQZPCXDLAW-DMDPSCGWSA-N	300.406	3.362	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CSC[C@@H]1C	807477657	VRWPPKZJHOZGST-XJKSGUPXSA-N	321.490	3.036	10	20	DGCD	
CCC(CC)n1nc(C(=O)NCc2ccc(N)cc2)cc1C	297289427	USBJMJGUQBYFQI-UHFFFAOYSA-N	300.406	3.065	10	20	DGCD	
C[C@H]1CCCN(c2ccc(CNC(=O)C(F)F)cc2Cl)C1	800572400	XBDVYEWSLLDMSI-JTQLQIEISA-N	316.779	3.458	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)[C@H](C)c1ccccc1	819077414	KOTWEOSPVACVGL-UZLBHIALSA-N	312.457	3.315	10	20	DGCD	
C[C@H](NCC1CCNCC1)c1cc(Cl)c(Cl)cc1O	817942430	YMIWRRWAPKQARV-VIFPVBQESA-N	303.233	3.349	10	20	DGCD	
CN(Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCC[C@@H]1O	816564437	GFKFHRYIXDOZEO-HZMBPMFUSA-N	301.789	3.168	10	20	DGCD	
C[C@H](N)c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1	827913777	MCJWEQBSVAEHSA-AWEZNQCLSA-N	323.440	3.019	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)C(=O)N2CCCC[C@@H]2C)cc1Cl	825191108	WAUDPNASUVRECJ-QWHCGFSZSA-N	324.852	3.233	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(F)c2)c1	728979908	QFJRNQIKPPBHSA-NSHDSACASA-N	303.333	3.339	10	20	DGCD	
CCN(CC)c1ccc(CNC(=S)NC(C)(C)C)cc1F	731321107	ZYLDTBHWNRVDQF-UHFFFAOYSA-N	311.470	3.435	10	20	DGCD	
CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccccc1O	735754726	AFGYNHCHFOLFME-HOCLYGCPSA-N	320.433	3.033	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C2[C@H]3CCCCCC[C@H]23)c1	830544426	PVBWOGHDVHCUJO-GJZGRUSLSA-N	303.402	3.233	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H](C)C(C)(C)O)cc1	836811719	MUYSVAITEAWSHS-HNNXBMFYSA-N	314.429	3.326	10	20	DGCD	
C[C@H](NCC[C@@H](O)C1CC1)c1cccc(C(F)(F)F)c1O	903408853	URFYHRVUKCIGKJ-TVQRCGJNSA-N	303.324	3.223	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H](C)c2ccn(C)n2)c1O	839190122	CTOBXFWZUZVSOD-JTQLQIEISA-N	324.222	3.047	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)CCCC2CCCC2)cc1	832266002	CKYBRJIPHHHDTI-GOSISDBHSA-N	317.477	3.229	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCC1(CCO)CCCCC1	840935129	GDALYJMEDZWLSC-UHFFFAOYSA-N	304.478	3.484	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCCC(C)(C)CC2)cc1	743811404	SWMXYINSAGQKTG-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc(N(C)C)cc1C)c1ccccc1	840940294	YLKJAZCUVRPJAV-SFHVURJKSA-N	312.413	3.065	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]([C@@H]3CCNC3)C2)cc1	843125732	GKKMLMPQVDXSSV-RTBURBONSA-N	315.505	3.354	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)ccnc1F	847400100	YESQMLLIPNMQMJ-UHFFFAOYSA-N	319.355	3.088	10	20	DGCD	
CC(C)c1ccccc1/C=C1/SC(=S)N(CC(=O)O)C1=O	846760044	ZMOITGJALHAJFC-KPKJPENVSA-N	321.423	3.096	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H](F)C1	845261151	ICKFIYDVQWSEMQ-GOEBONIOSA-N	321.440	3.136	10	20	DGCD	
COC[C@@H](N[C@@H]1CCc2cccc(O)c21)c1cccc(OC)c1	850512783	BACIKKPNOQVUCH-IAGOWNOFSA-N	313.397	3.365	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2C[C@@](C)(OC)C2(C)C)c1	756625382	KAAFRRRCVLKHEO-BKGUAONASA-N	321.417	3.033	10	20	DGCD	
CC(C)C[C@@H](O)CN[C@@H](C)c1ccc(Br)cc1O	756496426	HKXQPQACAUMWPP-CMPLNLGQSA-N	316.239	3.212	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cncc(Cl)c1	856732431	QMQWIZIUNXWTGX-UHFFFAOYSA-N	303.793	3.200	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc2ccccc2n1	759590946	YJAKNDLIMCWOFC-POHAHGRESA-N	321.332	3.403	10	20	DGCD	
CCOc1cccc(CN(CC)CCc2ccccn2)c1O	769035942	ZAVMFSRVVCRMIK-UHFFFAOYSA-N	300.402	3.251	10	20	DGCD	
CC[C@@H](NCc1ccc2c(c1)CCCN2C)C1CCOCC1	765480800	NHDMIFLHRRFFSH-GOSISDBHSA-N	302.462	3.364	10	20	DGCD	
CC(=O)c1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1	765337623	YSERGHZMPIMPDW-UHFFFAOYSA-N	314.360	3.024	10	20	DGCD	
Cc1ccc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(O)c1	877458976	DHRXFDMUEILYNS-HIFRSBDPSA-N	317.351	3.274	10	20	DGCD	
OC1CCN(c2ccc(CN3CC(c4ccccc4)C3)cc2)CC1	877665737	HJVSJAVGEXUFSF-UHFFFAOYSA-N	322.452	3.247	10	20	DGCD	
CCN(C)c1ccc(CN2CCC(CCN(C)C)CC2)cc1	773746702	OEIITGQYDBGHNY-UHFFFAOYSA-N	303.494	3.306	10	20	DGCD	
Cc1occc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773228464	HLSNDMWKKSHJEG-LBPRGKRZSA-N	301.390	3.214	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1	773016271	AQJZAEZRZUDQSY-KDOFPFPSSA-N	324.424	3.496	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cccc3nccn23)cc1	776834466	HLXRQGXZFBOTSD-UHFFFAOYSA-N	322.412	3.111	10	20	DGCD	
COc1cccc2c1CC[C@@H]2NCc1cc(F)cc(F)c1O	883042342	TZBNKZJFCWRRJU-HNNXBMFYSA-N	305.324	3.456	10	20	DGCD	
CC1(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1	785468929	MHUAMFQKAKPVBU-OAHLLOKOSA-N	308.853	3.400	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CCS[C@@H]3C)CC2)cc1	783609566	YONGFBHTSSGGDQ-DYVFJYSZSA-N	306.475	3.148	10	20	DGCD	
Oc1cc2c(cc1CN1CCC=C(c3ccccc3)C1)OCO2	789546079	ODOVZUXMLCWYDR-UHFFFAOYSA-N	309.365	3.410	10	20	DGCD	
C[C@@H](NC[C@@H]1CCC=CO1)c1ccc(Br)cc1O	783309463	JHLOJHRZLUHTQE-PWSUYJOCSA-N	312.207	3.498	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)C[C@H](O)c2cccs2)c1O	894370363	JXOZDPJZQVWZQW-OCCSQVGLSA-N	321.442	3.373	10	20	DGCD	
Cc1ccc(CN(C)Cc2cc(Br)ccc2O)nc1	789594879	NKMAFYVZLLZACP-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
CCN(C[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(OC)cc1	785465236	DYBDSCXVXNOMTJ-CYBMUJFWSA-N	308.422	3.435	10	20	DGCD	
CC(C)(C)OC(=O)N1CCCN1Cc1cc(F)cc(F)c1O	894687516	NTCSUPRNOWCREQ-UHFFFAOYSA-N	314.332	3.028	10	20	DGCD	
COc1ccc(CN2CCC[C@@H]2c2ccncc2)c(O)c1OC	894450122	SDDRVUQIDBOKOJ-OAHLLOKOSA-N	314.385	3.142	10	20	DGCD	
COc1cc(C)cc(CNCCCc2ncccc2C)c1O	894898296	JBHYXHPSLBPKFM-UHFFFAOYSA-N	300.402	3.135	10	20	DGCD	
CCOc1ccc(CN(CCOC)[C@H]2CC[C@@H](C)C2)c(O)c1	792192994	PGBPNIHGGHHJQR-ZBFHGGJFSA-N	307.434	3.428	10	20	DGCD	
CC[C@H](NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C)cc1O	794789922	BAIYDMKMMUSVFF-NUJGCVRESA-N	320.477	3.241	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](C)c2c(F)cccc2F)c(O)c1	794376037	AVMWHMWQYSSQQU-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(C(F)F)cc1	794936231	WNCSPLQHCCSRCQ-UVTDQMKNSA-N	314.291	3.086	10	20	DGCD	
C[C@H](CCCC(=O)O)NCc1cc(Cl)cc(Cl)c1O	1321907883	WVOJGSSXLXYGKL-MRVPVSSYSA-N	306.189	3.432	10	20	DGCD	
C[C@H]1C[C@@H](CCNCc2cc(F)c(N(C)C)cc2F)CCO1	1329009171	PMNNEACBJWAEQD-STQMWFEESA-N	312.404	3.326	10	20	DGCD	
Cc1ccc(O)c(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c1	1600464512	DYPFNPNODGNXET-DLBZAZTESA-N	311.381	3.001	10	20	DGCD	
O=C(O)[C@@H](CNCc1cc(F)cc(F)c1O)C1CCCCC1	1608538130	FMRCZPVKUBWBSS-ZDUSSCGKSA-N	313.344	3.041	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccccc1N=S(C)(C)=O	1608038726	GDDQOWDACQPYEV-UHFFFAOYSA-N	323.370	3.224	10	20	DGCD	
CCOc1ccc(CN2Cc3ccc(C(=O)O)cc3C2)c(O)c1	1610044565	ZQMVJTUUIVEVSC-UHFFFAOYSA-N	313.353	3.005	10	20	DGCD	
CCOc1cccc(CN(CC2CC2)[C@](C)(CC)C(=O)O)c1O	1610045494	SEBKSWZVRWRUEG-GOSISDBHSA-N	321.417	3.256	10	20	DGCD	
CC(C)Nc1ccccc1NCc1ccccc1-c1nn[nH]n1	1589729278	CUPDAHWJJMTIAP-UHFFFAOYSA-N	308.389	3.299	10	20	DGCD	
COCC[C@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)c1ccco1	1599219136	WPBWLDHDZBGMPD-FZMZJTMJSA-N	319.357	3.112	10	20	DGCD	
CN(C)c1ccc(CN(c2cc(C(=O)O)ccn2)C2CC2)cc1	1777039613	HOABBXIBJNDQGV-UHFFFAOYSA-N	311.385	3.015	10	20	DGCD	
Oc1cccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1	160197373	ARYNENKDJRKSRG-GOSISDBHSA-N	313.397	3.279	10	20	DGCD	
CC(C)(C)OCCCNCc1ccc(Br)cc1O	691456358	TVFXEZZRJBOHPB-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
Cc1nc(Cl)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1	119563832	JZPQTWSSRBIEAF-UHFFFAOYSA-N	321.783	3.179	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3cccc(N)c3)cc2)CC1	178770281	DHHIRLXEQYUJMB-UHFFFAOYSA-N	323.440	3.435	10	20	DGCD	
C[C@@H](NCCc1ccc2c(c1)CCO2)c1ccc(F)cc1O	185451910	ZXUPLWJYGLRAIZ-GFCCVEGCSA-N	301.361	3.360	10	20	DGCD	
CCCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	71798971	MKMWJCLKKPQDML-MRXNPFEDSA-N	305.418	3.480	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(OC)c1O	73748197	CQTMCFSEBVSMJE-OCCSQVGLSA-N	306.406	3.169	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](CCO)C(C)(C)C)c1O	183673081	OYLHQPGYSAOJPX-AWEZNQCLSA-N	313.825	3.135	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)c(F)cc1F	124143079	ZZEUGQYIUUQHSB-UHFFFAOYSA-N	322.330	3.442	10	20	DGCD	
C[C@@H]1CC[C@@H](C)N(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	316493611	VYMBFOFIFQBEAV-RQDOONKYSA-N	304.346	3.317	10	20	DGCD	
COc1ccccc1[C@@H]1CCN(Cc2cccc(OC)c2O)C1	93593470	CXBXINZTFHAWSR-CQSZACIVSA-N	313.397	3.399	10	20	DGCD	
Nc1ccc(CCNC(=O)CCc2cc(Cl)cs2)cc1	238124468	KCCSABRNWGFPBV-UHFFFAOYSA-N	308.834	3.275	10	20	DGCD	
CCCCN1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	273607445	URIMHRBFSPLHKX-CYBMUJFWSA-N	321.421	3.216	10	20	DGCD	
CCC(O)(CC)CCNCc1cc(Br)ccc1O	276210532	KBUXLYKXSILORS-UHFFFAOYSA-N	316.239	3.186	10	20	DGCD	
COCc1cc([N+](=O)[O-])ccc1N(C)Cc1ccccc1O	276148786	DJWUMGMJQUMCQD-UHFFFAOYSA-N	302.330	3.083	10	20	DGCD	
COc1ccc([C@H](C)NC(=O)c2cc(O)cs2)c(C)c1OC	807859187	ZJLZGNJYRJOOTN-JTQLQIEISA-N	321.398	3.270	10	20	DGCD	
CC(C)Cn1ncc(NC(=O)c2cccc(O)c2O)c1C1CC1	807854558	FQDNUZVTMISNFA-UHFFFAOYSA-N	315.373	3.080	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c(O)c1O	294025616	FKVALASUQGQJBV-CYBMUJFWSA-N	313.353	3.162	10	20	DGCD	
CCCOc1ccc(CN(C)Cc2conc2CC)c(O)c1	293548716	DSPDBQWHSMOJJR-UHFFFAOYSA-N	304.390	3.363	10	20	DGCD	
CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(N)cc2)c1	297183861	LLCFICZBRVTMPO-AWEZNQCLSA-N	312.413	3.476	10	20	DGCD	
CC[C@@H](N[C@H]1CCCNC1)c1cc(Cl)cc(Cl)c1O	817942031	WBUZWFWTQKGDPI-GXFFZTMASA-N	303.233	3.492	10	20	DGCD	
CC[C@H](NCc1nn(CC)nc1C)c1cccc(Cl)c1O	818347192	YBOQQXLAGJNSEO-ZDUSSCGKSA-N	308.813	3.206	10	20	DGCD	
C[C@@H](NC1CCNCC1)c1ccc(N2CCCCC2)c(F)c1	817937202	VBWUHDCCTCXXKV-CQSZACIVSA-N	305.441	3.219	10	20	DGCD	
CC(=O)Nc1ccc(CNCc2ccc3ccccc3c2O)cn1	816594112	PVYJZNPRCONTNU-UHFFFAOYSA-N	321.380	3.189	10	20	DGCD	
CN(C(=O)/C=C/c1cncc(F)c1)c1ccc2ccccc2n1	491905245	NUHOFLZDEAKVPH-RMKNXTFCSA-N	307.328	3.445	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2C[C@@H](C)n3ccnc32)c1O	825016325	ATFLSYAIIHGHHT-BXKDBHETSA-N	307.781	3.046	10	20	DGCD	
C[C@H](c1cccs1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	588403556	PEPOGYSJZVFRFP-BPOWMSRESA-N	303.383	3.392	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)N(C)C)cc1	834508911	SVZXDIOSZKYSGT-UHFFFAOYSA-N	313.445	3.164	10	20	DGCD	
Cn1cnc(/C=C\C(=O)N(CC2CCCCC2)c2ccccn2)c1	904030078	ODXMNRICIQGXHU-KHPPLWFESA-N	324.428	3.442	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCCCS1	839921266	YGCQMCGRQQGCKN-RHSMWYFYSA-N	320.502	3.394	10	20	DGCD	
CCOc1ccc(CNc2nnc(C3CCCC3)o2)c(O)c1	905428247	UHYRMQNBEXSYAC-UHFFFAOYSA-N	303.362	3.444	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ccon2)cc1	739801407	ZKLIKQCVFXYPKA-UHFFFAOYSA-N	309.369	3.354	10	20	DGCD	
CCONC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	588553257	DMPNAYPEOFVRKS-UHFFFAOYSA-N	312.329	3.108	10	20	DGCD	
O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(O)cs1	731868251	UIYSKDWDMOVABS-INIZCTEOSA-N	310.378	3.368	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@H](C)c2cc(F)ccc2O)cc1C	834912270	CAFPKHXCJZJQMZ-PBHICJAKSA-N	317.404	3.402	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCOC[C@@H]2CCCO2)cc1	741244835	KKWQTFBZFZPRJR-IBGZPJMESA-N	320.477	3.160	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@H](C(=O)O)C2)cc1	843304026	RDOMWGLVYZTQRF-HOTGVXAUSA-N	304.434	3.266	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC1CCC(C)(O)CC1	749608226	UCAODANAPOBPAS-UHFFFAOYSA-N	320.433	3.007	10	20	DGCD	
CCN(C[C@@H](O)COc1ccccc1F)c1ccc(OC)cc1	747681644	DWZOKOBDOXRAIA-OAHLLOKOSA-N	319.376	3.101	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCCO2)cc1	915615365	IITAZYNGTXBTSD-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
CCCCN(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840489066	QUXRJDXKVHKOHS-HNNXBMFYSA-N	305.466	3.434	10	20	DGCD	
COc1cccc([C@H](C)NCCc2ccc(Cl)nc2)c1O	846151350	WVVBTJRTZOQGQT-NSHDSACASA-N	306.793	3.343	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@@H](C)C2)cc1	752005456	QOINQFPAPWLRJI-GASCZTMLSA-N	303.450	3.330	10	20	DGCD	
C[C@H]1CN(C2CC2)C[C@H]1N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756644440	AGGLJAWMJFRHEW-FDRIWYBQSA-N	304.409	3.152	10	20	DGCD	
CCOc1cccc(CN(C)[C@@H]2C[C@@H](OCC)C2(C)C)c1O	769472910	KRVJSMPDFOSTOR-HZPDHXFCSA-N	307.434	3.426	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2nccs2)cc1F	770459724	AHIHKNCKUPHFPE-UHFFFAOYSA-N	307.394	3.058	10	20	DGCD	
Cc1cccc(O)c1CN(C)CCCN(C)Cc1ccco1	877524073	QHLZJMGJFUYYQV-UHFFFAOYSA-N	302.418	3.248	10	20	DGCD	
CCOc1cccc(CNc2cccc(OC)c2OC)c1O	886275805	MRCNWQLDXIQXNF-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
Cc1ccc(CN(CCO)Cc2c(O)cccc2Cl)cc1	783603663	VHFJSUTXKRHMHD-UHFFFAOYSA-N	305.805	3.349	10	20	DGCD	
COc1ccc(CN2C[C@H](C)Oc3ccccc32)c(O)c1OC	893613986	IXSQJRVKMHEULZ-LBPRGKRZSA-N	315.369	3.197	10	20	DGCD	
Cc1ccc(O)c(CNCc2cnn(Cc3ccccc3)c2)c1	390386325	DEKKGHCMTLEFKV-UHFFFAOYSA-N	307.397	3.235	10	20	DGCD	
CCOc1ccc(O)c(CN(CCOC)[C@H]2CC[C@H](C)C2)c1	792193716	YXNQRLQVCUCZRG-HOCLYGCPSA-N	307.434	3.428	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c(O)c1	794369570	HTMCQSTXSWNQRK-ZBFHGGJFSA-N	303.402	3.255	10	20	DGCD	
COc1cccc(CNCc2ccc(-c3cnn(C)c3)cc2)c1O	1261182961	CJGIZNYNZKFIRB-UHFFFAOYSA-N	323.396	3.091	10	20	DGCD	
O=C(O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)cc1	1608874545	GEKSDZUZAMPIEF-UHFFFAOYSA-N	321.332	3.174	10	20	DGCD	
O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2cc(F)ccc2O)cc1	1602200594	MJNJYJSRWTVMOR-LSDHHAIUSA-N	301.317	3.332	10	20	DGCD	
COc1ccc(Cn2ccc(NCc3ccc(N)cc3)n2)cc1	1579223053	VLFUKKQFTUIRLS-UHFFFAOYSA-N	308.385	3.134	10	20	DGCD	
CC[C@H](C)C[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)O	1594953324	NQJASHVYZWYLID-UFBFGSQYSA-N	303.761	3.164	10	20	DGCD	
CO[C@H](CN(C)c1ccc(OCC(=O)O)cc1)C1CCCCC1	1777142227	HLVMERIFCPWSAA-QGZVFWFLSA-N	321.417	3.182	10	20	DGCD	
COc1cc(CN(C)Cc2ccc(OC)c(F)c2)c(O)cc1C	159500683	BBLKVHFTFXLWBN-UHFFFAOYSA-N	319.376	3.489	10	20	DGCD	
CC[C@H](C)[C@H](CNCc1ccc(Br)cc1O)OC	691470246	SSMDHSQSOQRZKY-HZMBPMFUSA-N	316.239	3.305	10	20	DGCD	
O=C(COc1ccc(N2CCCC2)cc1)NCc1cccs1	178192253	NUJGLTWNKYDTAS-UHFFFAOYSA-N	316.426	3.044	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCC[C@@H](C2OCCO2)C1	172490744	FHKWCGSRLTUVFL-OAHLLOKOSA-N	313.397	3.130	10	20	DGCD	
CCN(Cc1ccon1)Cc1cc(Br)ccc1O	76118526	GOQQRIBTHTXXKC-UHFFFAOYSA-N	311.179	3.165	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@H](C)c1cc(Cl)ccc1O	185030057	VVXDRSYCOVVPHY-GFCCVEGCSA-N	312.841	3.345	10	20	DGCD	
CC(C)(NCc1cc(F)ccc1O)C(=O)NCC1CCCCC1	180839871	UCBZGHIYTDKGMA-UHFFFAOYSA-N	322.424	3.096	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1	183209542	HAEKMBQBTFCRDG-QGZVFWFLSA-N	317.360	3.193	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])ccc1Cl	315327814	UJQGBEGGDKCJHM-UHFFFAOYSA-N	320.732	3.226	10	20	DGCD	
C[C@@H]1SCCN(Cc2cccc(Br)c2O)[C@@H]1C	93501012	MBRMPMYUBIWGCC-ZJUUUORDSA-N	316.264	3.481	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cccc3c2N=S=N3)ccc1O	148625541	SOELINNCCZQDHD-UHFFFAOYSA-N	321.383	3.228	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCc2c(C)c3ccccc3n2C)o1	348698798	LTHHAFYVGXSEMQ-UHFFFAOYSA-N	310.353	3.212	10	20	DGCD	
CC[C@H](N[C@H]1CCc2nc(C)ncc2C1)c1ccc(F)cc1O	367599893	ILCJFBRUNRWKKN-HOCLYGCPSA-N	315.392	3.228	10	20	DGCD	
CCCOc1ccc(CN(C)C2CCN(C(C)C)CC2)c(O)c1	271027994	FDVRXOSPPRKWDW-UHFFFAOYSA-N	320.477	3.486	10	20	DGCD	
CN1Cc2ccccc2[C@@H](NCc2cc(Cl)ccc2O)C1	374328417	BWCZLKFZNMVANE-INIZCTEOSA-N	302.805	3.322	10	20	DGCD	
Cc1noc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2)n1	285879296	ZJZLYEPOPOVHJW-INIZCTEOSA-N	300.406	3.171	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)c2c(F)cncc2F)c1	285698351	OQYODNZJMPWKBY-UWVGGRQHSA-N	308.328	3.486	10	20	DGCD	
Cn1nccc1[C@@H]1CCCN(Cc2c(O)ccc3ccncc23)C1	800858368	MAOKPTVAYYGWEF-OAHLLOKOSA-N	322.412	3.054	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ocnc1C1CC1	809648519	UQIHDVBJXMMXHW-UHFFFAOYSA-N	300.358	3.310	10	20	DGCD	
Cc1ccc(CN(CCN(C)C)Cc2cccc(C)c2O)o1	809735879	WNWHPEIHLYKZHR-UHFFFAOYSA-N	302.418	3.166	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H]2CSC[C@H]2C)c1O	809702280	FBYIFFQQPQROMP-SKDRFNHKSA-N	316.264	3.304	10	20	DGCD	
CC[C@H](N[C@H](CN)C1CC1)c1ccc(Cl)c(Cl)c1O	817961225	VOKZYOFCBJWJSA-NWDGAFQWSA-N	303.233	3.477	10	20	DGCD	
C[C@@H](NCC[C@@H]1CCNC1)c1cc(Cl)c(Cl)cc1O	817955028	OXGNEOSMQJDVDJ-ZJUUUORDSA-N	303.233	3.349	10	20	DGCD	
C[C@H](NC[C@@H]1CCCNC1)c1cccc(C(F)(F)F)c1O	817945723	KHTDIWDQOOKLFM-WDEREUQCSA-N	302.340	3.061	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@H](N3CCCC3)C[C@H]2C)cc1	815117417	MDEIFLGRGXIFKK-VQIMIIECSA-N	301.478	3.201	10	20	DGCD	
Oc1ccc2c(c1)CN(Cc1cc(Cl)c(F)cc1O)CC2	816492552	VQDGYPDABJMIEE-UHFFFAOYSA-N	307.752	3.449	10	20	DGCD	
COc1ccc(CNC(=O)NCC(C)(C)C(C)(C)C)c(O)c1	814418880	JIPBKQKTVIUBKD-UHFFFAOYSA-N	308.422	3.272	10	20	DGCD	
C[C@@H](NCc1ccc2cnn(C)c2c1)c1cc(F)cc(F)c1O	812736465	BRKIJDLAQQPABO-SNVBAGLBSA-N	317.339	3.408	10	20	DGCD	
Cc1noc(C2CCN(Cc3cc(Cl)c(C)cc3O)CC2)n1	824593868	SIVSQVWSQCGRAF-UHFFFAOYSA-N	321.808	3.425	10	20	DGCD	
CCOc1cccc(CN[C@H](C(C)C)[C@@H](CO)C(C)C)c1O	824844853	DVHCTGNKAKXHAK-DOTOQJQBSA-N	309.450	3.170	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1	728985035	VEECFWALNZGPAG-XDQVBPFNSA-N	303.402	3.404	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2ccnn2C)c1C	726532541	DPGDIXWSEBKUDO-UHFFFAOYSA-N	308.385	3.388	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1c(C)cnn1CC	825159460	BVXCPIFNRIPQOQ-UHFFFAOYSA-N	316.405	3.361	10	20	DGCD	
CN(C)c1ccc(CN[C@@]2(C)CCCC[C@@H]2C(=O)O)cc1F	901820965	NCULDUUZZQSFSF-DYVFJYSZSA-N	308.397	3.015	10	20	DGCD	
Cc1cc(C)c(C(=O)COC(=O)c2cc(O)cs2)c(C)c1	732352954	IRGDSOKQVPQIJE-UHFFFAOYSA-N	304.367	3.419	10	20	DGCD	
CC[C@@H](C)NC(=S)N(Cc1ccccc1O)C[C@H]1CCCO1	749760685	WYCWHWWUHFYEPH-UKRRQHHQSA-N	322.474	3.046	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C)[C@@H]1C	745826394	AHYHEQOSCWOCCO-HIFRSBDPSA-N	303.450	3.391	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2cncn2C(C)C)cc1	846051490	IEMQQQFDSAMPBA-UHFFFAOYSA-N	316.449	3.041	10	20	DGCD	
COc1cccc(O)c1CN[C@H]1CCOc2c(OC)cccc21	848575187	LOULBMAWZQBMLY-AWEZNQCLSA-N	315.369	3.023	10	20	DGCD	
CCOc1ccc(CNCCc2ccc(N)cc2)cc1OC	841034436	BCMPSYWLJSGUIY-UHFFFAOYSA-N	300.402	3.008	10	20	DGCD	
Cc1nn(C(C)C)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	846976114	DSIDQKWVXOFCQS-CYBMUJFWSA-N	314.433	3.329	10	20	DGCD	
CC(C)NC(=O)[C@@H](C)NCc1cc(-c2ccccc2)ccc1O	840974725	NPASRXNIHKVXJF-CQSZACIVSA-N	312.413	3.062	10	20	DGCD	
CSCCNCc1ccc(OCc2ccccc2)cc1O	753546835	OOSOJVOXSVXVBO-UHFFFAOYSA-N	303.427	3.424	10	20	DGCD	
COc1ccc(C)cc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756672828	TXKBCHUAICCSIJ-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c(C)c1	756761880	UZFJPSCMVNBQSP-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)C2CC2)cc1	858422343	JAUOCUMLZCEFLM-UHFFFAOYSA-N	310.397	3.070	10	20	DGCD	
Cc1ccccc1[C@H](CO)N[C@H](C)c1cc(F)cc(F)c1O	756638660	VQOUDIIREAYHGU-BZNIZROVSA-N	307.340	3.363	10	20	DGCD	
O=C(COC(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccc(O)c(O)c1	850303918	BKHVFYZDHZDTSH-CHWSQXEVSA-N	318.369	3.040	10	20	DGCD	
CC(C)C[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)CCO1	868479844	LKCUIUHFTXQGDW-ILXRZTDVSA-N	320.433	3.346	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCN(CC3CC3)C2)cc1	765873609	OCNZLAROFHONSN-YJBOKZPZSA-N	301.478	3.278	10	20	DGCD	
CSc1cccc(N(C)Cc2cc3c(cc2O)OCO3)c1	761221388	LLMGNFIPWFGECW-UHFFFAOYSA-N	303.383	3.479	10	20	DGCD	
Brc1ncccc1CNCc1ccc2c(c1)CCO2	865441618	WMFILKSCCRNBME-UHFFFAOYSA-N	319.202	3.069	10	20	DGCD	
Cc1ccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)c(O)c1	877600314	MGKITUMNZSNUKT-GOSISDBHSA-N	301.430	3.482	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2cnc[nH]2)cc1	779488681	HSCWSGCYZDTPCD-WAPJZHGLSA-N	321.336	3.140	10	20	DGCD	
CC(C)Cc1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1	775833968	IWPOGYZHSCXABX-ZDUSSCGKSA-N	302.422	3.185	10	20	DGCD	
CC[C@H](N[C@H](C)[C@H](CO)SC)c1cc(Cl)ccc1O	775509395	LILXHFJPTWIXHS-LQJRIPTKSA-N	303.855	3.199	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC2CCC(C)CC2)c1O	774974944	MNOTYOIEFMPTPO-UHFFFAOYSA-N	308.378	3.225	10	20	DGCD	
O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc(O)cs1	782335379	UWUAGKMCDMQBQI-UHFFFAOYSA-N	313.718	3.372	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN1CC[C@H]2C[C@H]2C1	895326989	KEJNBFQDHPLODY-IUCAKERBSA-N	300.171	3.136	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ccc(C[S@](C)=O)cc2)c1	797134483	SQCXCIOQAGSUQW-FPTDNZKUSA-N	317.454	3.430	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccccc1SC	790416109	QFAMIDWJIFFIMP-UHFFFAOYSA-N	323.439	3.477	10	20	DGCD	
C[C@H](N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1O	1169733729	WXVWPFNUKNLYAD-RDJZCZTQSA-N	324.424	3.348	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNC[C@@H]1COC2(CCCC2)O1	1319780150	YKACIHFCCJHNQE-GOSISDBHSA-N	316.445	3.062	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(Cl)c1F	1323568957	HBWZNEBHFAJIBU-FNORWQNLSA-N	321.735	3.220	10	20	DGCD	
COC1([C@H](C)N[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)CCOCC1	1325792899	HWWVGWDDEHAWFJ-QLFBSQMISA-N	319.445	3.423	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1CCC(F)(F)C1	1323708197	XGUKMSIDJFQZJF-ZCFIWIBFSA-N	301.680	3.250	10	20	DGCD	
C[C@H](NC(=O)c1ncc(Cl)s1)c1ccc(N(C)C)cc1	1321062422	WDEDUHCZVZPHRA-VIFPVBQESA-N	309.822	3.354	10	20	DGCD	
Nc1ccc(CNC(=O)NCC[C@H]2CCc3ccccc32)cc1	1338610091	NJHINSYZWFHVPJ-MRXNPFEDSA-N	309.413	3.188	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H](C2CC2)O1	1344378778	VNAFIBIGFBOXDB-KXBFYZLASA-N	300.446	3.286	10	20	DGCD	
Nc1ccc(CC(=O)NCC2(c3cccc(F)c3)CCC2)cc1	1522871129	MHYLXIWVCLFUOP-UHFFFAOYSA-N	312.388	3.189	10	20	DGCD	
CC[C@H](NCc1ccc(N(C)C)cc1C)C1(C(=O)O)CCC1	1605100352	MMWACVIEHOIHHN-INIZCTEOSA-N	304.434	3.184	10	20	DGCD	
Cc1ccc(NC(=S)NNc2cccc(C(=O)O)c2)cc1	1600458490	NAWUJQWJKJPQDB-UHFFFAOYSA-N	301.371	3.007	10	20	DGCD	
C[C@@H](N[C@H](C)c1cc(F)ccc1O)c1ncc(C(=O)O)s1	1593198719	UVHRBLDPVJEQPU-HTQZYQBOSA-N	310.350	3.098	10	20	DGCD	
CN(C)c1ccc(CNCc2cc(C(=O)O)sc2Cl)cc1	1777040077	GFYAJCTZTXWCMF-UHFFFAOYSA-N	324.833	3.456	10	20	DGCD	
C[C@H](CCOc1ccccc1)C(=O)NCCc1ccc(N)cc1	152576138	VCUHAOMYTWDHLJ-OAHLLOKOSA-N	312.413	3.033	10	20	DGCD	
C[C@@H](N)[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	63191307	JOHDIZRBJDHLHW-NOZJJQNGSA-N	303.233	3.401	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CO[C@@H]2CCCC[C@H]2C)c1	113429554	UYILMSSNWXKEOY-IIYDPXPESA-N	321.417	3.173	10	20	DGCD	
C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(N3CCCC3)cc2)C1	1346845636	BJKOJDDYILSWLK-ZJBJCVSYSA-N	320.502	3.066	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N(C)Cc1cc(F)ccc1O	187992911	CXXIPGMPMBGGCH-QGZVFWFLSA-N	303.377	3.221	10	20	DGCD	
CC[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1	255228096	QWWFODWDBYKNKP-ZPIQOJFGSA-N	312.344	3.438	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1	268945012	BBDYZGCQNUIEBW-SUMWQHHRSA-N	304.459	3.372	10	20	DGCD	
CCCCOCCNC(=O)N(CCC)Cc1ccccc1O	264501618	IGZYMCAWZVHFJP-UHFFFAOYSA-N	308.422	3.131	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCCO1	267951513	MOCUBFWXOCHLCJ-GOSISDBHSA-N	318.461	3.449	10	20	DGCD	
C[C@H](N[C@H](C)c1cnn(C)c1)c1ccc(Br)cc1O	273563785	IUCJTWOJHGFIKU-ZJUUUORDSA-N	324.222	3.300	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1	377836165	ZGRTZDRQUNOPCC-HUUCEWRRSA-N	305.418	3.039	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC2(c3ccccc3)CC2)c1O	278892002	PVCDFYHLINUKPW-UHFFFAOYSA-N	314.341	3.088	10	20	DGCD	
Cc1ccc(O)c(CNCc2cc(C)nc(N3CCCC3)c2)c1	289760998	JAAFNCFCOAPVMR-UHFFFAOYSA-N	311.429	3.294	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CCc3nc(C)ncc3C2)cc1	370671056	LQROBLJEFYMQQX-RDTXWAMCSA-N	324.472	3.449	10	20	DGCD	
CCc1nc([C@H]2CCCCN2Cc2cccc(OC)c2O)no1	371405074	XWEUCTYMESQTGW-CYBMUJFWSA-N	317.389	3.073	10	20	DGCD	
CC[C@H](C)N1CC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	285880213	GFWWUFOTNBDSOU-ZETCQYMHSA-N	316.188	3.143	10	20	DGCD	
C[C@@H]1SCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])[C@@H]1C	387761605	FRTXAECPWWMUOT-FPNIURKZSA-N	322.386	3.023	10	20	DGCD	
CC(F)(F)CCNC(=O)NCc1ccc(N2CCCC2)cc1	296231135	GIYRMYDLBLHTAN-UHFFFAOYSA-N	311.376	3.131	10	20	DGCD	
Cc1cccc(CN2C[C@H](C)C(=O)N(C)c3ccccc32)c1O	809786287	WSJBAYYFTAGJFH-AWEZNQCLSA-N	310.397	3.320	10	20	DGCD	
C[C@@H](CNCc1ccc(N2CCOCC2)cc1)CC(F)(F)F	396980434	VKVOMMUJJULXCR-CYBMUJFWSA-N	316.367	3.201	10	20	DGCD	
CN(C)c1ccc(CNc2nnc(-c3ccon3)s2)cc1F	804393174	XAEYITCJDMMMLB-UHFFFAOYSA-N	319.365	3.010	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1)c1ccccc1O	293272394	CLLOBTSVIWPFIG-ZIAGYGMSSA-N	300.377	3.461	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)[C@H](C(=O)O)C(C)C)cc1	819164923	XPLUINFUFHZECB-RHSMWYFYSA-N	306.450	3.368	10	20	DGCD	
CCc1ccc(CNC[C@H]2CCN(c3ccc(OC)cc3)C2)o1	818222618	VAYNPBKGFFJRMH-OAHLLOKOSA-N	314.429	3.467	10	20	DGCD	
COc1cc(C)cc(CN(C)C2CC(OC(C)(C)C)C2)c1O	817373148	BOIGLOABARLVSK-UHFFFAOYSA-N	307.434	3.487	10	20	DGCD	
C[C@@H](NCCSCCCO)c1cccc(C(F)(F)F)c1O	815577808	ZTESTELSZGZQPC-SNVBAGLBSA-N	323.380	3.177	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1cccc(C(F)(F)F)c1O)C1CC1	815651680	ZUHLJBFQFUPDGC-ZANVPECISA-N	303.324	3.487	10	20	DGCD	
CCCOc1ccccc1NC[C@@H](O)COCc1ccccc1	819398398	MEYVAKXTZQXEQK-QGZVFWFLSA-N	315.413	3.465	10	20	DGCD	
CCCN1C[C@@H](CN[C@@H](CC)c2ccc(N(C)C)cc2)CC1=O	817588448	FSNZPQSKPASHFT-QAPCUYQASA-N	317.477	3.052	10	20	DGCD	
COc1cccnc1CNCc1ccc(N2CCCCC2)cc1	825249866	QCYHYPYMWMDGAM-UHFFFAOYSA-N	311.429	3.370	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C(C)C)[C@H](C)N)cc1	826019838	LGHMETRFWGFVPY-MAUKXSAKSA-N	319.493	3.111	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2ccc(F)cc2)cc1	732410941	OIWWEWJCKFUNJE-UHFFFAOYSA-N	302.393	3.403	10	20	DGCD	
CN(Cc1cccc(O)n1)Cc1cc(C(C)(C)C)cc(O)c1O	902562427	NECYEERDZBOLAF-UHFFFAOYSA-N	316.401	3.128	10	20	DGCD	
COc1cc2c(c(OC)c1)N(CCc1csc(C)n1)CCC2	839656138	IDUOTYLEVLAXMK-UHFFFAOYSA-N	318.442	3.464	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H](O)c1ccccc1Cl)CC2	834668804	OBXMJKXZIBPUNL-GDBMZVCRSA-N	303.789	3.356	10	20	DGCD	
COc1cc(F)cc(CN[C@@H](C)c2cccc(OC)c2O)c1	846158507	HUCNYQCJFGPKDZ-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](CC2CC2)C(=O)O)cc1	844291822	ZKGUVMCZDTYRGQ-INIZCTEOSA-N	304.434	3.123	10	20	DGCD	
CC(=O)Nc1ccccc1CNCc1cc(Cl)ccc1O	742376007	YOPJOIKEIGTNKU-UHFFFAOYSA-N	304.777	3.294	10	20	DGCD	
Cc1ccccc1-c1noc(CN(C)c2ccc3c(c2)OCO3)n1	756654671	LHCTYPCYSQCPDD-UHFFFAOYSA-N	323.352	3.410	10	20	DGCD	
CCOCc1cc(CNCC2(O)CCC(C)CC2)ccc1OC	853092298	JORPSBOPCDUFPC-UHFFFAOYSA-N	321.461	3.263	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC3([C@@H](C)O)CC3)c2C)c1	856130614	GOWGTKDISMMLSM-OAHLLOKOSA-N	312.413	3.046	10	20	DGCD	
Cc1cc(C(=O)NCCN(C)C)c(C)n1-c1cccc(Cl)c1	920398119	GZXCOKWEKKETPV-UHFFFAOYSA-N	319.836	3.039	10	20	DGCD	
C[C@@H](N[C@H](CCN(C)C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1O	756592789	VLQDOAIAPVBUAT-MLGOLLRUSA-N	323.437	3.317	10	20	DGCD	
COc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1C	850579104	RUJUOKDWKFJQOI-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
CCN(CC)c1ccc(CNCCNc2cccc(C)n2)cc1	769401750	ZQFJDXCCEDEEHX-UHFFFAOYSA-N	312.461	3.438	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC(C)(C)C2)c1	768765680	FTOXGGKOBUSMGO-NWDGAFQWSA-N	306.406	3.340	10	20	DGCD	
CSCC1(CCNC(=O)N[C@H](C)c2ccccc2O)CC1	868768652	VYDCYEQGLVPUOI-GFCCVEGCSA-N	308.447	3.286	10	20	DGCD	
C[C@@H](NC(=O)NCCCOC1CCCC1)c1ccccc1O	868174695	INEDIXQXFTXUAU-CYBMUJFWSA-N	306.406	3.102	10	20	DGCD	
Cc1noc(CCCN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)n1	1116569021	YCLCYRLYWSUSFG-DGCLKSJQSA-N	301.390	3.163	10	20	DGCD	
CN1CCC[C@H](CN(C)Cc2ccc(N3CCCC3)cc2)C1	1116437345	ZRKHXRMDJBAXID-SFHVURJKSA-N	301.478	3.060	10	20	DGCD	
Cc1ccc(F)c(C(=O)NCc2ccc(N(C)C)cc2)c1F	766313512	SRMYPMUPLLVYJE-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
CCO[C@@H](CC(=O)NCCCSc1nccs1)C(C)C	760586050	SJYNGVPQSQUGCW-LBPRGKRZSA-N	316.492	3.193	10	20	DGCD	
Cc1ccc(CNC2CCN(CC3CCCC3)CC2)c(O)c1	876990030	NVHLMTYMBAUQPA-UHFFFAOYSA-N	302.462	3.445	10	20	DGCD	
Cc1cc(C(=O)NOc2ccccc2)c(C)n1-c1ccccn1	773465608	HDOXHULKUCPBLC-UHFFFAOYSA-N	307.353	3.213	10	20	DGCD	
COc1cc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c(O)cc1C	773256542	CIZOXLAGUOJLKO-CVEARBPZSA-N	319.445	3.348	10	20	DGCD	
Cc1cccc(O)c1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1	876810522	ANJPUINYTUSPRM-QAPCUYQASA-N	300.446	3.149	10	20	DGCD	
Cc1ccnc(N2CCN(Cc3cccc(Cl)c3O)CC2)c1	775658221	HQXQXBXIRJSYRG-UHFFFAOYSA-N	317.820	3.071	10	20	DGCD	
Oc1ccccc1CN1CCN(c2ccc3ccccc3n2)CC1	770509531	NJKLYNRGRUWYLO-UHFFFAOYSA-N	319.408	3.263	10	20	DGCD	
Cc1cc(O)c(CN(C)[C@@H](c2ccccc2)c2nc[nH]n2)cc1C	894958962	GVQNMDGHZYDMNQ-SFHVURJKSA-N	322.412	3.349	10	20	DGCD	
COc1ccc(CNCc2ccc([C@H]3C[C@H]3C)o2)c(O)c1OC	892621141	HRWBNYROJWMISK-RISCZKNCSA-N	317.385	3.416	10	20	DGCD	
Cc1cc(O)c(CNCC2(NC(=O)OC(C)(C)C)CC2)cc1C	897423284	XCICZPLLSFXJNR-UHFFFAOYSA-N	320.433	3.156	10	20	DGCD	
C[C@H](CNCc1ccc2c(c1)CCN2Cc1ccccc1)N(C)C	796285451	RUJFFOXTTQLFBL-QGZVFWFLSA-N	323.484	3.289	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1C[C@]2(CCCO2)[C@H]1C1CC1	1325022434	FDWVVIRQJVSIFL-WOJBJXKFSA-N	312.457	3.430	10	20	DGCD	
COc1cc(CN2CCCc3cc(CN)ccc32)ccc1F	1326991562	SZYMZTHMHIXXJK-UHFFFAOYSA-N	300.377	3.246	10	20	DGCD	
C[C@H](CNCc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C	1330850315	NQTGJJAYHVLVEQ-OAHLLOKOSA-N	321.484	3.349	10	20	DGCD	
CC(C)[C@@H]1C[C@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1262487841	HPZYWBDWAUDWGW-SKDRFNHKSA-N	323.780	3.266	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)C3CCC3)CC2)cc1	1348039135	SWELALUCIKHQGS-HNNXBMFYSA-N	316.445	3.170	10	20	DGCD	
COc1cc(C)c(CNc2ccc(C)c(C(=O)O)c2)c(O)c1	1599390938	CLCXOEVAIXDPDL-UHFFFAOYSA-N	301.342	3.328	10	20	DGCD	
C[C@H](NCCCOCC1CCOCC1)c1ccc(N(C)C)cc1	157455831	XGWCOCDMFNOVLE-INIZCTEOSA-N	320.477	3.237	10	20	DGCD	
CCOc1cccc(CN(C)Cc2ccc(OC)cc2)c1O	159858804	OQNXBGRXAHPZGE-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
C[C@@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1cc(F)ccc1O	903240027	SSOROPMLBYSCFE-LLVKDONJSA-N	324.396	3.239	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1cccnc1	109935000	ZYLXPFRSRHWGOF-UHFFFAOYSA-N	323.440	3.273	10	20	DGCD	
CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(O)c(O)c1	54701735	GBLFUMPGIHSDEV-OAHLLOKOSA-N	318.760	3.338	10	20	DGCD	
CCOCCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1	22408455	NGEDHJMNDWYABT-UHFFFAOYSA-N	300.402	3.251	10	20	DGCD	
Cn1cc(Cl)cc1C(=O)NCCCSc1nccs1	114375190	LKNSHKIIBUSCCE-UHFFFAOYSA-N	315.851	3.047	10	20	DGCD	
Cc1nn(C)c(Cl)c1CN(C)Cc1ccc(N(C)C)cc1	170748510	BCOISCQJSNKHMW-UHFFFAOYSA-N	306.841	3.080	10	20	DGCD	
COc1ccc(N(C)Cc2cnc3c(c2)c(C)nn3C)cc1F	121744811	LGUZWZHRPBXEPS-UHFFFAOYSA-N	314.364	3.061	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1	185464154	BWUFORWYRUTNCC-GDBMZVCRSA-N	324.424	3.436	10	20	DGCD	
C[C@@H](NCCCn1ccnc1)c1cc(Br)ccc1O	181006849	CEAJBCPEAFROMD-LLVKDONJSA-N	324.222	3.092	10	20	DGCD	
C[C@H](c1ccco1)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	180697069	LEINHWGRHSUBDQ-BIPYJSMBSA-N	313.353	3.456	10	20	DGCD	
CC(C)(C)c1cnc(SCC(=O)c2ccc(O)c(O)c2)o1	130117195	QSELYNRPCQHHBN-UHFFFAOYSA-N	307.371	3.358	10	20	DGCD	
C[C@@H](N[C@H](C)c1cc(F)ccc1O)c1ccc2[nH]c(=O)[nH]c2c1	321328301	JBNHCRWPDACELV-NXEZZACHSA-N	315.348	3.113	10	20	DGCD	
COCCOCCN[C@H](C)c1cc(Cl)c(Cl)cc1O	192734069	PXEZDCIIVDGPCF-SECBINFHSA-N	308.205	3.013	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCN(c3ccccn3)C2)c(O)c1C	273490562	OEOKPXCUMVNUBG-HOTGVXAUSA-N	311.429	3.334	10	20	DGCD	
OC[C@@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	368013519	BJDXSQQHAAUPID-LJQANCHMSA-N	322.452	3.064	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCN(c3ccccn3)C2)c(O)c1C	273490556	OEOKPXCUMVNUBG-CVEARBPZSA-N	311.429	3.334	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H]1CCN(C(C)C)C1=O	282476243	OIAXVYGWUYQABP-MRXNPFEDSA-N	304.434	3.004	10	20	DGCD	
CCCCN(Cc1ccccc1O)c1nc(CCOC)ns1	800887038	LWEAUVSCQSEKOD-UHFFFAOYSA-N	321.446	3.239	10	20	DGCD	
CCOc1cccc(CNC[C@@H](Cc2ccccc2)OC)c1O	294768185	JWDUSMMTDPBFGZ-QGZVFWFLSA-N	315.413	3.138	10	20	DGCD	
CCC[C@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	294202889	BZBDOIDYRNFUIY-KRWDZBQOSA-N	304.434	3.059	10	20	DGCD	
Cc1c(CNC(=O)N2CCCCCO2)n(C)c2ccccc12	568769088	QEJPNXLGGDQLKE-UHFFFAOYSA-N	301.390	3.114	10	20	DGCD	
Cc1cccc(CN2CCCC[C@@H]2COC(=O)NC(C)C)c1O	809720414	BUFHKQGTDZFKGW-MRXNPFEDSA-N	320.433	3.190	10	20	DGCD	
CC(C)N1CC[C@@H](CNCc2cc(Cl)cc(F)c2O)C1	809735665	NXBAMZVBVXGOFB-NSHDSACASA-N	300.805	3.005	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NC[C@H]2CC[C@H](C(N)=O)CC2)c1O	817587452	XLISMMBIVIAMQV-AVGNSLFASA-N	324.852	3.296	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](OC)C1	815797295	KJJFUFHNCHCZQW-HOCLYGCPSA-N	305.418	3.336	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3nc(C)cs3)C2)cc1	818221477	NGCJOHKZSQEKAC-AWEZNQCLSA-N	317.458	3.076	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[C@@H](N)C1	818608038	JHGAXWWSMHZYDJ-IAGOWNOFSA-N	317.477	3.007	10	20	DGCD	
COc1ccc(C[C@@H](C)C(=O)Nc2ccc(N)cc2)cc1OC	818556249	DVSMCMDBTJVQTB-GFCCVEGCSA-N	314.385	3.103	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](F)C(F)(F)F	810247991	ZFQKXYRIQSQPTC-CYBMUJFWSA-N	318.314	3.194	10	20	DGCD	
Cc1cc(C(=O)CN(C)C2CC2)c(C)n1-c1ccc(Cl)cn1	827416300	YXDDIQFNAOFKQI-UHFFFAOYSA-N	317.820	3.419	10	20	DGCD	
Cc1cc(O)c(CNC[C@@](C)(O)c2ccc(F)cc2)cc1Cl	825396062	OKOXOCICECRSGP-QGZVFWFLSA-N	323.795	3.490	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)[C@H](C)c2ccccc2)cc1OC	827491295	JUWBVJIBAFNVKL-PBHICJAKSA-N	315.413	3.305	10	20	DGCD	
CCOc1cccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	728983189	VTVSBPJQIPLBIJ-LBPRGKRZSA-N	315.369	3.291	10	20	DGCD	
Cc1ccc([C@@H](C)[C@@H](O)C(=O)N[C@H](C)c2ccccc2O)cc1	827941318	QFNBNZCUQTWZIP-HBUWYVDXSA-N	313.397	3.042	10	20	DGCD	
CC[C@@H](Nc1ccc(O[C@@H]2CC(=O)N2)cc1)c1ccccc1O	825000050	VLTHWRNTCUNHLO-CRAIPNDOSA-N	312.369	3.180	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@@H]1CN1CCCC1	738103938	HVOCOXQWBCMIJY-MRXNPFEDSA-N	311.429	3.001	10	20	DGCD	
COc1ccc(CN[C@H](C(=O)O)c2ccc(F)c(C)c2)cc1C	901844971	YGIIQZMUYKBHAS-KRWDZBQOSA-N	317.360	3.367	10	20	DGCD	
CC(=O)N1CC[C@@H](N[C@@H]2CCc3cccc(O)c32)c2ccccc21	834692671	GVEYPYHUVFAAHH-IAGOWNOFSA-N	322.408	3.467	10	20	DGCD	
Cc1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)cc1C	743869774	YFWNUTNPWMMHBL-UHFFFAOYSA-N	320.396	3.376	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2cccc(Cl)n2)cc1	844402402	WVEWMZULFRKMML-UHFFFAOYSA-N	319.836	3.312	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1nc2c(s1)CCCCC2	748324365	BOLQBGGZIHMBCJ-UHFFFAOYSA-N	317.414	3.439	10	20	DGCD	
C[C@@H]1C[C@@H](NCC[C@@H]2CCCN(C)C2)c2c(O)ccc(F)c21	840811207	ZOPXSFSWUFGXLH-VNHYZAJKSA-N	306.425	3.401	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(CN(C)C)cc2F)c1	840957550	KCHDIZVHNYNZRZ-UHFFFAOYSA-N	304.365	3.214	10	20	DGCD	
COc1cc(O)c(CNC[C@H](C)CC(F)(F)F)cc1OC	840964630	TVVDDHLCODSHEK-SECBINFHSA-N	307.312	3.088	10	20	DGCD	
CCc1cccc(CNCc2ccc(-n3ccnc3C)nc2)c1O	848895151	RFABLYUQFGXVEG-UHFFFAOYSA-N	322.412	3.134	10	20	DGCD	
CCN(CC)c1ccc(CNC2[C@H]3CC[C@H]2CC(N)C3)cc1F	841076291	WJJUKZZMJFACQR-RXDZZFBJSA-N	319.468	3.277	10	20	DGCD	
CCOc1ccc(CNCc2cccc(OC)c2C)c(O)c1	850416190	DDMIRQKCYNLUEH-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
COC(=O)c1ccoc1CN(C)c1ccc(OC)c(Cl)c1	757856559	LJBMZMPHJQHUPS-UHFFFAOYSA-N	309.749	3.365	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC1(C)CC1	929538039	YWEISBVODCLVBE-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
COc1ccc(OCCN[C@H](C)c2cc(F)cc(F)c2O)cc1	756357108	BRMZLEMCFXPZGX-LLVKDONJSA-N	323.339	3.409	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1cscn1	854374461	UTGUQFSNZRDAJL-UHFFFAOYSA-N	304.415	3.220	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(OC)c(C)c1	757798976	GLTZAKFPLVTACX-CRAIPNDOSA-N	305.418	3.215	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cc(C(C)C)no2)c1	756573876	SOIWPIZMBFTLMR-LLVKDONJSA-N	318.373	3.141	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@@H]1CCCN(CC2CC2)C1	853093304	IMIYNOUNYJMKMZ-AWEZNQCLSA-N	308.853	3.257	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cccc(N(C)C)n2)c2c(O)ccc(F)c21	756770275	VTVSXOOMLYOEDW-RISCZKNCSA-N	315.392	3.330	10	20	DGCD	
Cc1cc(F)ncc1C(=O)NCc1ccc(N2CCCC2)cc1	864863935	RUJRZPSOSPEKQN-UHFFFAOYSA-N	313.376	3.059	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C	769556509	MDRBAAVUNHFCPD-QMMMGPOBSA-N	303.761	3.005	10	20	DGCD	
COc1nc(C)cc(NCc2ccc(N3CCCCC3)cc2)n1	760503835	RMTNZJGVKARURF-UHFFFAOYSA-N	312.417	3.396	10	20	DGCD	
CCCOC(=O)[C@H](C)N(Cc1ccc(N(C)C)cc1)C1CC1	771791309	MQVGGEODSRIYEG-AWEZNQCLSA-N	304.434	3.059	10	20	DGCD	
C[C@@H](NC(=O)N1CC[C@H](C2CC2)C1)c1ccc(N(C)C)cc1	773615374	WLPPVQAHXLSCGE-CJNGLKHVSA-N	301.434	3.255	10	20	DGCD	
CCC(O)(CC)CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	875507098	AKIGRMPYVXCYFD-CQSZACIVSA-N	321.465	3.006	10	20	DGCD	
C[C@@H](NCc1ccc(C[S@@](C)=O)cc1)c1c(O)cccc1F	886609233	OYCGJHMCVTWPOW-VERVWZFWSA-N	321.417	3.261	10	20	DGCD	
C[C@@H](NCc1cc(F)cc(F)c1O)[C@H]1CCCN(C2CCC2)C1	883085167	KGOKKKSHFVCPSP-OLZOCXBDSA-N	324.415	3.413	10	20	DGCD	
CC[C@H]1C[C@H](C)CN1c1nnc(-c2sccc2O)n1CC	1121668417	AUJLZRJYSDRHGI-QWRGUYRKSA-N	306.435	3.357	10	20	DGCD	
Cc1noc(C[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	897579180	QHDYMVPVZBFDEV-LBPRGKRZSA-N	321.808	3.192	10	20	DGCD	
COc1cccc(O)c1CN[C@H]1CCOc2ccc(F)cc21	780574520	NFKYPWIRSZVTDX-AWEZNQCLSA-N	303.333	3.153	10	20	DGCD	
CCN(Cc1cc(Cl)cc(Br)c1O)[C@H](C)CO	894831291	NFAJGQKOGVTJLV-MRVPVSSYSA-N	322.630	3.011	10	20	DGCD	
CC[C@@H](NC[C@@H](O)COc1ccccc1)c1ccc(C)cc1O	794794874	RQOAHUCEXTUOOO-CRAIPNDOSA-N	315.413	3.181	10	20	DGCD	
CC[C@H](C)N(CC(=O)OC)Cc1ccc(N2CCCCC2)cc1	798954792	DEXVNNDSRZFPJR-INIZCTEOSA-N	318.461	3.450	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCC[C@@H](C)[C@H]2C)c1O	795999123	HAFJZVBPOQZKRJ-UPJWGTAASA-N	322.405	3.471	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCN1CCCCCC1	790950096	VADCENCOINQRAH-UHFFFAOYSA-N	300.805	3.150	10	20	DGCD	
CC[C@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1O	796841338	SDYRSYRVOVXJRB-HKUYNNGSSA-N	315.388	3.406	10	20	DGCD	
CC[C@@H](N[C@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1O	796959524	RADZUEXAQMRSDG-FUHWJXTLSA-N	317.404	3.484	10	20	DGCD	
CS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1	1319082099	NKLXTTXZPMTQKP-JKSUJKDBSA-N	321.490	3.178	10	20	DGCD	
Oc1cccc(Br)c1CNCCOCC1CCC1	1331277899	UWOOPCHAEBQJGO-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@H](N)C2)cc1	1357338717	VODFRHFTAOBFMP-SJORKVTESA-N	317.477	3.009	10	20	DGCD	
CC[C@@H](C)n1nccc1C(=O)N(C)Cc1ccc(N(C)C)cc1	1518800921	QGGAHVWDLYQSQX-CQSZACIVSA-N	314.433	3.192	10	20	DGCD	
Oc1ccc(Br)cc1CNCCOc1ccccc1	227434576	RBNOIXABBHKJIW-UHFFFAOYSA-N	322.202	3.323	10	20	DGCD	
CC1(C)CNCC[C@@H](NCc2cc(Cl)c(F)cc2O)C1	1576480750	NZXSTEONNHEHST-LLVKDONJSA-N	300.805	3.053	10	20	DGCD	
CCOc1ccc(N(C)Cc2cc(C(=O)O)ccc2OC)cc1	1776933165	HCZPBZHKGJLWLA-UHFFFAOYSA-N	315.369	3.429	10	20	DGCD	
CCOc1ccc(N(C)CC[S@@](=O)c2ccccc2)cc1	150733553	HFIOKNLSFWCGNA-NRFANRHFSA-N	303.427	3.329	10	20	DGCD	
C[C@@H](NCCc1ccco1)c1ccc(N2CCOCC2)c(F)c1	155949123	UNGAOZUVOOMGOX-CQSZACIVSA-N	318.392	3.149	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCc3ccccc32)cc1	54401508	JIMWDOGNGLRZJP-GOSISDBHSA-N	309.413	3.239	10	20	DGCD	
CCS[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C	104900725	GLJMYYILDODKHN-XHDPSFHLSA-N	311.447	3.356	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1c(F)cccc1F	21191532	JESXHEHEAGTNMU-LCYFTJDESA-N	308.353	3.421	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C[C@@H](C)c2ccccc2F)c1	114541410	YGLQKFXOGIBZOW-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2c(C)cccc2C)c1	114566153	ZIEBHFVTOINRHB-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC1CCC1	175812377	LOLAEDSDQQYKAV-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
CCCCNC(=O)C1CCN(Cc2cc(Cl)ccc2O)CC1	179330430	GJWQGHKTPWEJNB-UHFFFAOYSA-N	324.852	3.174	10	20	DGCD	
CC[C@H](NC[C@@H](O)c1c(F)cccc1F)c1ccccc1O	305789767	ZNORINLQPLTBOS-GOEBONIOSA-N	307.340	3.445	10	20	DGCD	
CCCCN(CC)C(=O)NCc1ccc(N2CC=CC2)cc1	127925251	BSHMCIRYCNYQOV-UHFFFAOYSA-N	301.434	3.394	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1F	121776427	WDCIHFCMFXPGEH-BETUJISGSA-N	308.397	3.060	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@](C)(O)c2ccc(F)cc2)c1	186189774	RZMZDNBRABRPQU-XIKOKIGWSA-N	319.376	3.098	10	20	DGCD	
CC[C@H](CCO)CN[C@H](C)c1ccc(Br)cc1O	185677473	NGJMYEGKWWYIHS-GHMZBOCLSA-N	316.239	3.214	10	20	DGCD	
C[C@H](N[C@H](C)C[S@@](C)=O)c1ccc(N2CCCCC2)cc1	184292383	WSQMBPDCSKALRN-LRAJWGHMSA-N	308.491	3.095	10	20	DGCD	
COC(=O)[C@@H](NCc1cc(F)ccc1O)c1cc(C)cc(C)c1	189635488	NYVGRWAVCJNYKS-KRWDZBQOSA-N	317.360	3.152	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]3CCC[C@H]32)cc1	75499357	YQMLAWXGSZZGBB-NVXWUHKLSA-N	301.434	3.227	10	20	DGCD	
C[C@H](N[C@H](C)C[S@](C)=O)c1cc(Cl)c(Cl)cc1O	193280338	ALSFMWDXLWIRHL-MPSDLYAZSA-N	310.246	3.117	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C)c2F)c1	131215348	VXEGXNMRWFQVRH-NSHDSACASA-N	303.333	3.339	10	20	DGCD	
COc1ccc(O)c(CN2CCC(n3cc(Cl)cn3)CC2)c1	368003576	ZEOSIRQUMFVNRF-UHFFFAOYSA-N	321.808	3.088	10	20	DGCD	
CCOc1nnc(CN(C)c2ccc(OC)c(Cl)c2)s1	268159007	JAXAKRNBPZKRFA-UHFFFAOYSA-N	313.810	3.235	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC3(CCCC3)C2)c1O	364759957	OPYVGSVUZHFXIL-UHFFFAOYSA-N	306.362	3.075	10	20	DGCD	
COc1cccc(CNC2CCC3(CCOCC3)CC2)c1O	360025426	YILLRUDDWKLMGJ-UHFFFAOYSA-N	305.418	3.230	10	20	DGCD	
CCNC(=O)C1(CN[C@@H](CC)c2ccc(N(C)C)cc2)CCC1	277384605	XUEZBCLSNJDFSI-KRWDZBQOSA-N	317.477	3.100	10	20	DGCD	
C[C@@H]1C[C@@H](CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCO1	273388110	DELXEWBNAAUWLU-UPJWGTAASA-N	308.378	3.156	10	20	DGCD	
COc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	273428431	VBGWUDKOCFUYMC-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
COCCc1ccnc(NCc2ccc(N(C)C)c(F)c2)c1	285315993	WCFUVRNWMFXFIZ-UHFFFAOYSA-N	303.381	3.088	10	20	DGCD	
C[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1	297181481	DYGCEBBZRRZVEU-KUHUBIRLSA-N	316.420	3.146	10	20	DGCD	
C[C@@H](N[C@@H]1CC12CCNCC2)c1cccc(C(F)(F)F)c1O	817976523	NAQIJCQFDSMEIO-ZWNOBZJWSA-N	314.351	3.204	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC3Cc4ccccc4C3)C2)cc1	818344562	OJYFWXWFZDBCOP-INIZCTEOSA-N	322.452	3.279	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)CN(C)C)cc1	816720257	ARFNPDINABUMFE-AWEZNQCLSA-N	313.445	3.022	10	20	DGCD	
CN(C)c1ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)cc1	810051606	MCHTZLGWWJPNJA-HXUWFJFHSA-N	321.468	3.390	10	20	DGCD	
CCN(C)c1ccc(CN2CCN(C3CCC3)C[C@H](C)C2)cc1	815120665	LQHAQDVPNWTBOC-QGZVFWFLSA-N	315.505	3.449	10	20	DGCD	
CN(C)c1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1F	814178220	HUURNVMDUGRNTM-INIZCTEOSA-N	306.425	3.140	10	20	DGCD	
Oc1ccccc1[C@H](CCc1ccccc1)NC[C@H]1CCCN1	817953269	YFJIBWMYPBAFSJ-MJGOQNOKSA-N	310.441	3.408	10	20	DGCD	
C[C@@H](Cn1ccnc1)NCc1cc(-c2ccccc2)ccc1O	725847035	BGLXTMRFFXWTJA-HNNXBMFYSA-N	307.397	3.434	10	20	DGCD	
COc1ccc(N(CC(C)C)C[C@H]2CCNC(=O)CC2)cc1	828206065	OUENDWKREDILNQ-OAHLLOKOSA-N	304.434	3.074	10	20	DGCD	
O=C(C[C@@H]1CCCN1C(=O)c1cc(O)cs1)c1ccccc1	829878919	IOYBPAJGZWXSAY-ZDUSSCGKSA-N	315.394	3.331	10	20	DGCD	
O=C(NCCOc1ccc2ccccc2c1)c1cc(O)cs1	732259325	PENOVLXCYYSWBA-UHFFFAOYSA-N	313.378	3.416	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@](C)(O)c2cccc(F)c2)c1	903308031	GITNIGJPWXEZJR-ACJLOTCBSA-N	303.377	3.398	10	20	DGCD	
O=C(O[C@H]1CCOC1)N(Cc1ccccc1O)C1CCCC1	914156783	HGMGLNFPDQJALQ-HNNXBMFYSA-N	305.374	3.062	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@H]1C	840717709	HYBOEFGWCZDRQX-SKDZVZGDSA-N	320.452	3.311	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)C1CCN(C)CC1	840894431	RLOWDUFFPRRYIV-IAGOWNOFSA-N	317.521	3.312	10	20	DGCD	
Cc1cccc(OCCCNC(=O)Nc2ccc(N)cc2)c1C	841297326	OQLSCLOBDJRLQI-UHFFFAOYSA-N	313.401	3.476	10	20	DGCD	
COc1cc(CNC[C@@H](C)CCCO)c(O)c(C(C)(C)C)c1	850313501	BPQSMGJSGNCMLB-ZDUSSCGKSA-N	309.450	3.197	10	20	DGCD	
CC(C)(CCCNCc1c(O)ccc(Cl)c1F)C(=O)O	756314424	ZBGHMYCFNLXOQM-UHFFFAOYSA-N	303.761	3.165	10	20	DGCD	
C[C@@H](NC(=O)NCCO[C@H]1CCCC[C@H]1C)c1ccccc1O	868103149	GDVYCTFSYRNHCN-CPUCHLNUSA-N	320.433	3.348	10	20	DGCD	
CCCc1ccc(C(=O)NCCc2ccc(O)c(O)c2)s1	866757344	QKFAKAMXFZNBQL-UHFFFAOYSA-N	305.399	3.084	10	20	DGCD	
COC1CCC(N(C)Cc2cc(F)c(N(C)C)cc2F)CC1	862245253	LKGQPBMDZDUKTJ-UHFFFAOYSA-N	312.404	3.420	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H]2CCCN2CC(F)F)cc1Cl	862468283	FCXSGJRXBBHDHR-LBPRGKRZSA-N	318.795	3.173	10	20	DGCD	
CCC(CC)n1nc(C(=O)N(C)c2ccc(N)cc2)cc1C	877076984	ZNTQJBQWDLYGNC-UHFFFAOYSA-N	300.406	3.411	10	20	DGCD	
Cc1csc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1	1117498450	ZAQRLZRIAUVEBF-UHFFFAOYSA-N	317.197	3.394	10	20	DGCD	
COc1cc(O)c(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc1OC	776024891	ZLJUZWPLYGTPJE-FZMZJTMJSA-N	317.385	3.416	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCCc1cn[nH]c1	770753278	UMHYCYDEPMJSQH-UHFFFAOYSA-N	315.398	3.278	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ncc(Cl)s1	770664945	NJXUDVJQHRSWAH-UHFFFAOYSA-N	309.822	3.262	10	20	DGCD	
Nc1ccc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1	1120269652	XGYHOAQJFCTGER-UHFFFAOYSA-N	319.412	3.014	10	20	DGCD	
CCN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1OC	779505857	KPDCVQWPNOXRKR-LUAWRHEFSA-N	313.353	3.173	10	20	DGCD	
O=C(COC(=O)c1cccc(C(F)F)c1)c1ccc(O)c(O)c1	783498706	ALCIQYHILWGJKF-UHFFFAOYSA-N	322.263	3.075	10	20	DGCD	
COc1ccc(CNC[C@H]2CCc3ccccc32)c(O)c1OC	1120033977	XAWMTDOBUHJLEK-CQSZACIVSA-N	313.397	3.229	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)C[C@@H](O)c2cccs2)c1O	894370361	JXOZDPJZQVWZQW-GXTWGEPZSA-N	321.442	3.373	10	20	DGCD	
CC[C@]1(C)COCCN1Cc1ccc(Br)cc1O	707691504	QZUWPTHICNYMIQ-CQSZACIVSA-N	314.223	3.156	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCC(C)(C)C2)cc1	792793124	PINUQPUMCUTRFE-MRXNPFEDSA-N	303.450	3.473	10	20	DGCD	
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c(O)c1O	798021434	RFQFXHNQWQRDLI-HAQNSBGRSA-N	315.344	3.221	10	20	DGCD	
CC(C)(C)C[C@H](O)CNCc1ccc(Br)cc1O	691489910	TVJNHXOFHMCEJB-LBPRGKRZSA-N	316.239	3.041	10	20	DGCD	
CC[C@@H](CO)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1317800082	JINZTJVEKNYDDY-ZDUSSCGKSA-N	320.820	3.248	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1	1329207829	BKDIBYKLPRMGBR-CQSZACIVSA-N	312.413	3.472	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C2CC2)[nH]1	1332255186	QPEQTRABMPWTEB-UHFFFAOYSA-N	312.417	3.015	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC(C)(C)CF	1345068427	URZVZVVLSBWMKK-CYBMUJFWSA-N	309.429	3.039	10	20	DGCD	
O=C(O)[C@@H]1CCN(Cc2cc(F)c(F)cc2O)c2ccccc21	1594933668	FAVFJGAGRRWUKL-GFCCVEGCSA-N	319.307	3.249	10	20	DGCD	
CCN(C)c1ccc(CN2CCc3c(cccc3C(=O)O)C2)cc1	1776856193	ZITSTYJJBFCAEU-UHFFFAOYSA-N	324.424	3.399	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1nc2ccccc2n1C	152871051	JRCHJGDUJMHQOI-UHFFFAOYSA-N	308.429	3.271	10	20	DGCD	
COc1ccc2c(c1)CN(Cc1cc(OC)c(C)cc1O)CC2	159930873	MCLCLEMNYXWNEP-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(NC3CCCCC3)nc12	160161204	ZLZJSHZBXONOKI-KRTXAFLBSA-N	480.615	4.742	10	20	DGCD	
CC(C)c1noc(NCc2ccc(N3CCSCC3)cc2)n1	301210380	ULFACTMSVANLFJ-UHFFFAOYSA-N	318.446	3.358	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)NC1CCC(C)CC1	27579547	BHCUVBYKUPEEQM-UHFFFAOYSA-N	316.445	3.143	10	20	DGCD	
COc1ccc(N(CC(=O)NC(C)C)Cc2cccs2)cc1	125933118	YUTVECUZGWTRHM-UHFFFAOYSA-N	318.442	3.288	10	20	DGCD	
CN(C)c1ccc(CNCCCc2nc3ccccc3n2C)cc1	76901214	QNEIWJBFHMAXIL-UHFFFAOYSA-N	322.456	3.362	10	20	DGCD	
CS[C@@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O	125320613	PCWKGTRYGVWMOI-LBPRGKRZSA-N	305.399	3.266	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c1	185468448	RFLODBQJAXSQFW-SOZUMNATSA-N	319.376	3.313	10	20	DGCD	
O=C1N=C(NC2CCCCC2)S/C1=C/c1cccc(O)c1	212057937	UNMSTVMGGTVYIH-GXDHUFHOSA-N	302.399	3.285	10	20	DGCD	
O=C(NCCCSc1nccs1)c1ccc(F)c(F)c1	74135907	ZNILEDDYWXGCMC-UHFFFAOYSA-N	314.382	3.334	10	20	DGCD	
CN1C(=O)/C(=C\c2ccccc2OC(F)(F)F)SC1=S	48402558	ZKGHPTBPFNNPAY-RMKNXTFCSA-N	319.329	3.416	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)nc1)N1CCOc2cc(F)ccc21	135171372	QJAOZYYKAFUQMJ-QHHAFSJGSA-N	318.735	3.313	10	20	DGCD	
CCCCO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)C1(C)C	236851846	FKGKIHLAHCHUIP-DLBZAZTESA-N	318.461	3.254	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CCCCC1	437008824	WMCAXJZNPFBFTI-UHFFFAOYSA-N	302.418	3.448	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@H]3[C@@H](CCCN3C)C2)c(O)c1	252799281	AKBBALXAMRFFSH-MAUKXSAKSA-N	318.461	3.097	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC(Cc2cccnc2)CC1	359955085	AXBFNIMIQGHJHM-UHFFFAOYSA-N	300.377	3.381	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2O)CC[C@@H]1NC(=O)OC(C)(C)C	271440199	RRJKIRJDOURHAF-ZFWWWQNUSA-N	320.433	3.127	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c(O)c1O	272773378	SWGVDGKZKWRRSO-ZDUSSCGKSA-N	315.344	3.175	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCC(=O)NC(C)(C)C	388550263	FRAAQRYNNNDKLJ-OLZOCXBDSA-N	304.434	3.143	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C2CC2)C(F)(F)F)c1	287231346	GQWXBFYLIZYQLZ-SDBXPKJASA-N	317.307	3.170	10	20	DGCD	
O=C(NC[C@H]1CCCCC(F)(F)C1)c1c(F)ccc(O)c1O	295362706	PCIKZLGIXODIAB-VIFPVBQESA-N	317.307	3.182	10	20	DGCD	
O=C(/C=C/c1ccc[nH]1)NCc1cc(Cl)cc(Cl)c1O	807835244	BDTNZXYTYUGRIQ-ONEGZZNKSA-N	311.168	3.357	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)C[C@@H](C)[S@@]1=O	809700622	KRHNUBSMTWAHBF-LDJQZATESA-N	322.518	3.264	10	20	DGCD	
COCCC1(NC2CCN(c3ccc(OC)cc3)CC2)CCC1	812844841	LGKZOPDDVRDHOV-UHFFFAOYSA-N	318.461	3.213	10	20	DGCD	
Cn1nc(CNCc2cc(Cl)c(F)cc2O)c2ccccc21	816569504	OADXJLDFJWBTGS-UHFFFAOYSA-N	319.767	3.361	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(F)c1C	817432681	ATABLZKXHXPYED-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
COc1cc(O)c(CN2CC[C@H](C3CCCC3)C2)cc1OC	817371382	WOUIBYUYCZYZTP-AWEZNQCLSA-N	305.418	3.422	10	20	DGCD	
C[C@H](NCCc1ccc(N)cc1)c1ccc(N2CCCC2=O)cc1	817956202	SZDRDFKUSRGBQJ-HNNXBMFYSA-N	323.440	3.289	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCCN1)c1ccc(Cl)c(Cl)c1O	817952635	RYNBLUBQXZHACU-JOYOIKCWSA-N	303.233	3.492	10	20	DGCD	
CO[C@@H](C)CNC(=O)N(Cc1ccccc1O)C1CCCCC1	821464519	LEIAKHDCQMTLDF-AWEZNQCLSA-N	320.433	3.271	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1nc(-c2ccccc2)cs1	726876648	ZJGKWBKWUJSTSM-UXBLZVDNSA-N	304.421	3.299	10	20	DGCD	
C[C@H]1C[C@@H](O)CN1Cc1ccc(N(C)Cc2cccs2)cc1	824272024	PPWGOUOQCLGXJN-WMLDXEAASA-N	316.470	3.340	10	20	DGCD	
CC(=O)CSCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C	829244193	RRHRIXMPJBTFKY-UHFFFAOYSA-N	320.389	3.133	10	20	DGCD	
COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(F)c1	734407225	IEDPTUWYYAADKY-UHFFFAOYSA-N	316.376	3.139	10	20	DGCD	
CC[C@@H](NC[C@](C)(O)c1cccc(F)c1)c1ccccc1O	903308613	JUHOJOPPLFIOBH-AEFFLSMTSA-N	303.377	3.480	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2nc(C)cs2)c1	830541217	VFAFSUQBEZLNSD-WDEREUQCSA-N	320.414	3.147	10	20	DGCD	
Cc1cc(C(=O)Nc2nccn2C2CC2)c(C)n1-c1ccccn1	839933232	OZKOOZHBAGLYSX-UHFFFAOYSA-N	321.384	3.273	10	20	DGCD	
COc1cccc(O)c1CNC[C@H](N)c1ccc(C(C)C)cc1	841037439	QHMAFEVHMBVEES-KRWDZBQOSA-N	314.429	3.314	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](CCO)Cc2ccccc2)c1O	846167171	HIXPRPOXMICEEY-ZBFHGGJFSA-N	315.413	3.045	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC(C)C	840488274	KYVDGIHTEQNRFH-OAHLLOKOSA-N	305.466	3.289	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(C(F)F)nc2)cc1F	846841163	AHNTYBRJMFOZTD-UHFFFAOYSA-N	323.318	3.154	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1ccco1	840483518	BQRCDIFMHUOKDN-HUUCEWRRSA-N	314.385	3.463	10	20	DGCD	
COC(=O)Cc1ccccc1CN[C@H](C)c1ccc(F)cc1O	848573568	VOWFEXQGDFGNHK-GFCCVEGCSA-N	317.360	3.098	10	20	DGCD	
CCOCc1cc(CN[C@H](CN)C2CCCCC2)ccc1OC	841039479	QWJJLNDGTJTUCS-GOSISDBHSA-N	320.477	3.229	10	20	DGCD	
CCN(CC(=O)Nc1cccnc1Cl)c1ccc(OC)cc1	746109067	IUTNVQJUIRIEAR-UHFFFAOYSA-N	319.792	3.209	10	20	DGCD	
CC(C)Oc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1	841050531	ISDWXTMVVBSLFA-UHFFFAOYSA-N	313.401	3.420	10	20	DGCD	
CCc1cccc(CNc2cccc(N3CCNC3=O)c2)c1O	848877498	SJLZXBMIKZLRNR-UHFFFAOYSA-N	311.385	3.096	10	20	DGCD	
Cc1nccn1C[C@@H](C)CN[C@H](C)c1cc(F)cc(F)c1O	756534214	LFNQTEYWQHQTOV-WDEREUQCSA-N	309.360	3.162	10	20	DGCD	
OC[C@@H](NCc1ccc2c(c1)CCCO2)c1c(F)cccc1F	921749921	SCFURSJMMIMVBO-MRXNPFEDSA-N	319.351	3.113	10	20	DGCD	
CCCc1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)cs1	759593453	OPBOMRGZTVPSNY-ALCCZGGFSA-N	319.382	3.263	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)nc1	753288248	PUYRNGLIKMZOMI-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
CO[C@H](C)CCN[C@H](C)c1ccc(Br)cc1O	756529946	WJCBPTDOBUUQCT-NXEZZACHSA-N	302.212	3.230	10	20	DGCD	
COCC1(NCc2c(O)cccc2Br)CCCC1	858186555	GIUZSPRKSZTZCB-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)nn1C	863165231	OTCWSFTUYBZUOE-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc[nH]1	760346079	IRNRYPFSUIWUPW-LBPRGKRZSA-N	313.401	3.160	10	20	DGCD	
COC(=O)CN(Cc1ccccc1)Cc1cccc(Cl)c1O	775656991	SCJXLGQUIOTILL-UHFFFAOYSA-N	319.788	3.221	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1	773013283	KANPXLUUIUDCHJ-RHSMWYFYSA-N	324.424	3.181	10	20	DGCD	
Cc1cc(NS(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)ccc1O	882709707	UDBUCBDEHHWIKZ-HOCLYGCPSA-N	321.373	3.138	10	20	DGCD	
CCCC[C@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	886747189	NJOFUJQKCUDOIZ-HNNXBMFYSA-N	317.477	3.057	10	20	DGCD	
CC[C@H](Nc1cccc(C(N)=O)c1OC)c1ccccc1O	775551432	MPZZWAHSSRBDRS-ZDUSSCGKSA-N	300.358	3.063	10	20	DGCD	
CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccc1OC	780883433	RWTQKJYNBBMMPF-CQSZACIVSA-N	315.369	3.296	10	20	DGCD	
COCCOCc1ccc(NCc2cc(F)cc(F)c2O)cc1	883190681	JVOIAFXUNWIQLJ-UHFFFAOYSA-N	323.339	3.446	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](O)C2CCCCC2)cc1	783563104	QPRYADQOMBJRSN-GOSISDBHSA-N	318.461	3.090	10	20	DGCD	
COc1ccc(OC)c(CNCc2cc(C)cc(OC)c2O)c1	894163424	WBNSHYXHLCEHFU-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(F)c1Cl	789996419	QYUFJRIXNTYQGS-UHFFFAOYSA-N	323.751	3.171	10	20	DGCD	
COC[C@H](Cc1ccccc1)N(C)Cc1c(O)cccc1OC	789584022	BJBSZTKWOCCTJW-INIZCTEOSA-N	315.413	3.090	10	20	DGCD	
COC(=O)c1cnc(NCc2ccc(N3CCCC3)cc2)s1	891796774	PSORUZARPKEZSF-UHFFFAOYSA-N	317.414	3.142	10	20	DGCD	
COc1ccc(CN2CCc3ccccc3CC2)c(O)c1OC	892043439	WMZLNBVCIQBRMJ-UHFFFAOYSA-N	313.397	3.010	10	20	DGCD	
CC(C)(CO)CCCNCc1ccc(Br)cc1O	701016007	UQYCZLMBKSNKBR-UHFFFAOYSA-N	316.239	3.043	10	20	DGCD	
Cc1cc(C(=O)OC[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccccn1	793418518	CDQVSCGXJNOBCS-CABCVRRESA-N	314.385	3.071	10	20	DGCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccsc1	795354828	UTORRUBBQSEWLV-UHFFFAOYSA-N	313.400	3.042	10	20	DGCD	
COC(=O)CC1(CN(c2ccc(OC)c(F)c2)C(C)C)CC1	799307478	KRWNWDUSJCUNKW-UHFFFAOYSA-N	309.381	3.392	10	20	DGCD	
CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(O)ccc1O	1323443472	NZUWZOKPDWFZDU-HNNXBMFYSA-N	318.760	3.338	10	20	DGCD	
Nc1ccc(CN2CCC(Oc3cccc(F)c3)CC2)cc1	1345159832	NUQQVVQGHNIBKN-UHFFFAOYSA-N	300.377	3.451	10	20	DGCD	
Cc1cc(O)c(CNc2ccc(COCCO)cc2)cc1Cl	1261677639	XQRSXZZILFOBSG-UHFFFAOYSA-N	321.804	3.475	10	20	DGCD	
CN(C)c1cc(F)c(/C=C\c2ncc(C(=O)O)s2)cc1F	1777038100	XACXBWVGUFQLHP-ARJAWSKDSA-N	310.325	3.356	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2c(C)[nH]c3ccccc23)c1	155946926	CPJPAAMTQRFQDE-UHFFFAOYSA-N	310.353	3.121	10	20	DGCD	
COc1cccc(CN2CCO[C@H](c3ccc(F)cc3)C2)c1O	179428837	IAVNIUDWGNZZDT-KRWDZBQOSA-N	317.360	3.113	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	122566400	ANKLZPFJQRYAFO-ARFHVFGLSA-N	317.429	3.363	10	20	DGCD	
CC[C@H](C)[C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	183257163	SRGIHZBUSMVFPD-JKSUJKDBSA-N	318.461	3.416	10	20	DGCD	
Cc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1	125014344	SVZTYOJELPDQBV-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
CN(C)c1ccc(CN[C@H](c2ccccc2)c2ncc[nH]2)cc1F	126431401	NQNGGFZNAYDTKL-GOSISDBHSA-N	324.403	3.494	10	20	DGCD	
Cc1cc(C(=O)N(C)CCO)c(C)n1-c1ccc(C(C)C)cc1	128004089	IZJNTYZQRPZCBK-UHFFFAOYSA-N	314.429	3.282	10	20	DGCD	
COc1cc(O)c(CN[C@H]2CCCc3occc32)cc1OC	182801814	XUFFWXKXQHGEGS-ZDUSSCGKSA-N	303.358	3.170	10	20	DGCD	
Cc1ncc(-c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)o1	195184153	MHLNASURIXWWLE-UHFFFAOYSA-N	307.353	3.413	10	20	DGCD	
CNC(=O)c1ccc(NCc2c(C)c3ccccc3n2C)cc1	336871568	GUGFBNNFLVGRHI-UHFFFAOYSA-N	307.397	3.458	10	20	DGCD	
CCc1ccc([C@@H]2COCCN2Cc2cccc(OC)c2O)o1	93459407	LRCKHKNXJVYVMD-HNNXBMFYSA-N	317.385	3.130	10	20	DGCD	
O=C(OCC1CC1)c1cccc2c1C(=O)c1ccccc1C2=O	257048170	ISABRNYGNYCGNJ-UHFFFAOYSA-N	306.317	3.029	10	20	DGCD	
Cc1c(CN=c2nc(C(C)C)[nH]s2)n(C)c2ccccc12	530481726	PLJUZNHQPCPETC-UHFFFAOYSA-N	300.431	3.496	10	20	DGCD	
CCc1c(C(=O)N(C)Cc2ccccc2O)cnn1C(C)(C)C	269092658	HVRJTJLLBZPLKA-UHFFFAOYSA-N	315.417	3.178	10	20	DGCD	
CCc1nc(C(=O)NCc2c(C)c3ccccc3n2C)c(C)o1	355445361	XGZNKHCKIQBNAF-UHFFFAOYSA-N	311.385	3.276	10	20	DGCD	
CCOc1cccc([C@@H](C)NC(=O)NCc2ccccc2O)c1	263740663	OGWIHEXEVMZNQS-CYBMUJFWSA-N	314.385	3.351	10	20	DGCD	
CCOc1cccc(CNCc2ccccc2N(C)C)c1O	267896238	WJONOVPGHDLQJB-UHFFFAOYSA-N	300.402	3.147	10	20	DGCD	
Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc(O)c1O	369077801	NESZGYQUUMPOGH-UHFFFAOYSA-N	310.309	3.314	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)C[C@@H]1C	270658264	SJUUBVDHHHMRBY-KBXCAEBGSA-N	316.445	3.106	10	20	DGCD	
CC[C@@H](NCCC1(O)CCOCC1)c1cccc(Cl)c1O	287108522	QKNYQRHMDUTZQP-CQSZACIVSA-N	313.825	3.018	10	20	DGCD	
CC[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	286356695	ZMJLRWZNJAUHID-JKSUJKDBSA-N	307.340	3.445	10	20	DGCD	
CC(=O)Nc1ccc(CCN[C@@H]2CCc3cccc(O)c32)cc1	297839329	SGLWEJCCPOGJLF-QGZVFWFLSA-N	310.397	3.170	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](CC)O1	801545646	DBIVCIDIUAFUPQ-DOTOQJQBSA-N	305.418	3.479	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNCCCCO)cc1	296680639	GUFJNLPNQDYVEG-UHFFFAOYSA-N	304.459	3.247	10	20	DGCD	
CC[C@@H](N[C@@H](C)CN(C)C)c1ccc(C(F)(F)F)cc1O	810239844	IDJNZZYFRFYJRO-GXFFZTMASA-N	304.356	3.402	10	20	DGCD	
CN(C[C@@H](O)CNc1ccc(Nc2ccccc2)cc1)C1CC1	819396194	ZLASPRKAKDYGJY-IBGZPJMESA-N	311.429	3.297	10	20	DGCD	
CCCC1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CCC1	819169691	CBEGSRUGFDCGLR-UHFFFAOYSA-N	316.401	3.127	10	20	DGCD	
COC1([C@@H](C)N[C@H](C)c2ccc(Cl)cc2O)CCOCC1	817588405	ORLMWRUALIYNEV-VXGBXAGGSA-N	313.825	3.280	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc(C3CC3)s2)c1	729535133	LAYFEUWAUAPKMW-VIFPVBQESA-N	318.398	3.226	10	20	DGCD	
COC(=O)CCN(Cc1ccc(N(C)C)c(C)c1)CC(C)C	815029080	NEZCIKDKAQEVCB-UHFFFAOYSA-N	306.450	3.082	10	20	DGCD	
Cc1cnccc1CCNCc1ccc(Br)cc1O	825380124	YAHMGHJUGAWFKI-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
COc1cc(CN2CCC[C@@H](CO)CC2)c(O)c(C(C)(C)C)c1	826017535	SFEPLLXURZBJSQ-CQSZACIVSA-N	321.461	3.293	10	20	DGCD	
Cc1ccc(C(=O)OCc2ncc(C(C)(C)C)o2)c(O)c1O	733476297	OHNALJDOWXUIDS-UHFFFAOYSA-N	305.330	3.049	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C2CC2)cc1F	731364894	RPSSAQYRYSEQDT-LBPRGKRZSA-N	307.413	3.270	10	20	DGCD	
CN1CCC[C@H](CCNCc2ccc(N3CCCCC3)cc2)C1	839182837	QCOJWVQIEADDDX-LJQANCHMSA-N	315.505	3.498	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](Cn1cccn1)C(C)C	834589732	OFYBXAPDGBOWFC-SFHVURJKSA-N	300.450	3.072	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2CO[C@H](C)C2)c1C	844106275	MLFVNSPYFCREQU-ZBFHGGJFSA-N	312.413	3.310	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)N[C@@H](C)c1cccc(OC)c1O	846169325	GVBVYNFMRPNJKT-QWRGUYRKSA-N	321.339	3.409	10	20	DGCD	
Cc1ncc(C(=O)NCc2ccc(N3CCCCC3)cc2)s1	748727186	DYKMLEVLBQVDAL-UHFFFAOYSA-N	315.442	3.372	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cn(C(C)C)nc1C	846874774	BATNEUFJYQSTBJ-UHFFFAOYSA-N	314.433	3.077	10	20	DGCD	
CC(=O)Nc1cccc(CN2CCCc3cc(CN)ccc32)c1	843350358	NVPSPFHDXBUSSW-UHFFFAOYSA-N	309.413	3.057	10	20	DGCD	
CC[C@H](C)NC(=S)NCc1ccc(N2CCSCC2)cc1	749768624	ZDMWBTFMJMJZGU-ZDUSSCGKSA-N	323.531	3.002	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)NCC1CCCC1	743553873	SJTAPNXBQLYSTL-UHFFFAOYSA-N	302.418	3.260	10	20	DGCD	
CCOc1ccc(CNC[C@H](O)[C@@H](C)c2ccccc2)c(O)c1	850411589	GCBXEDXFDFINGF-LIRRHRJNSA-N	315.413	3.045	10	20	DGCD	
COc1ccccc1OCCN[C@@H](C)c1cc(C)ccc1O	756374143	XZYQHXCMEFKKAD-AWEZNQCLSA-N	301.386	3.439	10	20	DGCD	
Nc1ccc(CCNC(=O)C2(C(F)(F)F)CCCCC2)cc1	851631395	AOEDXIYSVCXTLU-UHFFFAOYSA-N	314.351	3.440	10	20	DGCD	
C[C@H](Cc1cnccn1)N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	756495863	SQQSVZFFSGZCMC-JTNHKYCSSA-N	301.365	3.090	10	20	DGCD	
Nc1ccc(CNC(=O)[C@H]2[C@H]3c4ccc(Cl)cc4C[C@H]32)cc1	859593939	LLRZNQKFFAXACH-IXDOHACOSA-N	312.800	3.124	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cccc([C@@H]3CCOC3)c2)c1	862757804	DRKAJRGFONYBDX-MRXNPFEDSA-N	311.381	3.135	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CCO)C(C)C	765851664	PMLRLYULNPACCI-CQSZACIVSA-N	320.458	3.292	10	20	DGCD	
Oc1cccc(Br)c1CN(CC(F)F)C1CC1	862241285	ZEOBIBSQYQPQKI-UHFFFAOYSA-N	306.150	3.384	10	20	DGCD	
CCC(=O)N[C@H]1CCCC[C@H]1CNCc1ccc(OC)c(C)c1	1037121877	GMWFBDLOODKGRU-IRXDYDNUSA-N	318.461	3.178	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]2c2cccn2C)c(O)c1	768197827	NLSZCPFLAVMIJW-QGZVFWFLSA-N	300.402	3.467	10	20	DGCD	
CON(C(=O)c1cc(O)cs1)[C@H]1CCCOc2ccccc21	764673978	UZWBDEPBGMRWKQ-ZDUSSCGKSA-N	319.382	3.371	10	20	DGCD	
CCN1C[C@@H](C)N(Cc2cc(Cl)cc(F)c2O)C[C@H]1C	775711986	LQQBZMCJWZGNBZ-GHMZBOCLSA-N	300.805	3.099	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3cc(Cl)cc(F)c3O)CC[C@@H]21	775742536	UUFGYCYROOJSLP-ABAIWWIYSA-N	312.816	3.101	10	20	DGCD	
Cc1cccc(CN(C)CC(=O)Nc2ccccc2Cl)c1O	775643499	ZKGWNGDKLKLBIH-UHFFFAOYSA-N	318.804	3.425	10	20	DGCD	
Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1Cl	779714080	XFQPCLRHQVRHFT-GXDHUFHOSA-N	312.756	3.110	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCC2(O)CCC2)c1O	779024489	NTQGDFDZJNXJGC-SNVBAGLBSA-N	314.223	3.029	10	20	DGCD	
COC(=O)[C@@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)[C@@H]1C	787244147	MNSXTHHSNBPRRV-UKRRQHHQSA-N	319.445	3.382	10	20	DGCD	
C[C@@H](OC(=O)c1cc(O)cs1)c1noc(-c2ccccc2)n1	783607630	JHJPNYAOSKUMGX-SECBINFHSA-N	316.338	3.422	10	20	DGCD	
COc1ccc(OC)c(NCc2ccc(OC)c(OC)c2O)c1	892314974	JXWWIPTXOXLCAQ-UHFFFAOYSA-N	319.357	3.039	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(C[S@@](C)=O)cc2)c(O)c1	797134654	VJQXCGUMMNGERB-JLCFBVMHSA-N	317.454	3.430	10	20	DGCD	
COc1ccc(CN2CCc3ccc(C)cc3C2)c(O)c1OC	895330989	SYYHOSHRMMGARB-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
O=C(N[C@H]1CCCc2ccc(F)cc21)c1cccc(O)c1O	794058195	AUJYYNGIEILYGZ-AWEZNQCLSA-N	301.317	3.044	10	20	DGCD	
COc1ccc(CNC(=O)Cc2c(C)[nH]c3ccccc23)c(O)c1	794388850	AWEYBLIIWQTTSH-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
CN(C)c1ccc(CNC[C@]2(C)CCCO2)c(C(F)(F)F)c1	793015035	BTBDZUFRQQUJHZ-HNNXBMFYSA-N	316.367	3.430	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(F)c(Cl)c2)c(O)c1	794374397	RPPGLEAKRNHHDN-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
C[C@@H](NC[C@H]1CCN1Cc1ccccc1)c1cc(F)ccc1O	716181095	XSBMPXXFEYFZSO-RHSMWYFYSA-N	314.404	3.456	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1	792778881	WMWGFNXZIWMCNT-AWEZNQCLSA-N	316.367	3.382	10	20	DGCD	
C[C@H](NC[C@H](O)c1ccco1)c1cccc(C(F)(F)F)c1O	798179478	BTFYNIANOTZDLD-CABZTGNLSA-N	315.291	3.388	10	20	DGCD	
CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(O)ccc1O	1318851706	VNXWRTLWJFOBLX-INIZCTEOSA-N	318.417	3.031	10	20	DGCD	
CCCOc1ccc(CNCc2c(O)nnc(C)c2C)cc1C	1348898821	HFNQMRHYIDSSNL-UHFFFAOYSA-N	315.417	3.186	10	20	DGCD	
CC[C@H]1c2ccccc2CN1C(=O)NCCc1ccc(N)cc1	1353426144	VWUCJGWCPDPGIW-SFHVURJKSA-N	309.413	3.488	10	20	DGCD	
C[C@H](Cc1ccc(O)cc1)N[C@H](C)c1cc(C(=O)O)ccc1O	1609755261	YTNCTARQIGXANQ-VXGBXAGGSA-N	315.369	3.078	10	20	DGCD	
COc1ccc(CNCCN(C)C(=O)/C=C/C(C)(C)C)cc1C	1753176106	FAUUTLSMOZQWGZ-MDZDMXLPSA-N	318.461	3.154	10	20	DGCD	
CCN(CC)c1ccc(CN(C2CCC2)[C@H](C)C(=O)O)cc1	1596289022	BLMDDVCYCPYIBT-CQSZACIVSA-N	304.434	3.360	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)Nc2cccc(OC)c2)cc1	150734166	YGRYRHPGGVCVCS-UHFFFAOYSA-N	314.385	3.169	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C	161298710	NBBRNMJAPKMYDA-QWHCGFSZSA-N	307.413	3.079	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCc1cc2ccccc2[nH]1	57644758	NIVWMVQVYKZUJC-UHFFFAOYSA-N	309.369	3.215	10	20	DGCD	
CN1CCCc2cc(CNCc3ccccc3[N+](=O)[O-])ccc21	57752419	NDBSPGPXBMVTEG-UHFFFAOYSA-N	311.385	3.267	10	20	DGCD	
CCCN(Cc1nnc(C(C)(C)C)o1)Cc1ccccc1O	68819726	BIWPCVCKMXGORJ-UHFFFAOYSA-N	303.406	3.485	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](COC)c2ccc(C)o2)c1	177568587	KJMMKDDGAGQAAH-OAHLLOKOSA-N	305.374	3.170	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@H](c2ccc(F)cc2)C1	179936444	KOMRBGQTQAVGHX-KRWDZBQOSA-N	305.324	3.244	10	20	DGCD	
CCC(CC)CNC(=O)NCc1ccc2c(c1)CCCN2C	303183521	DIIJMBOAGDOXHI-UHFFFAOYSA-N	303.450	3.304	10	20	DGCD	
Cc1cccn2cc(CNCc3ccc(N(C)C)c(F)c3)nc12	124017145	COGTTYXRNCQBCJ-UHFFFAOYSA-N	312.392	3.138	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc2c(s1)CCCC2	180893272	TYIWIWCLQZVYKR-SOFGYWHQSA-N	316.382	3.085	10	20	DGCD	
C[C@H]1CC[C@@H](CCC(=O)NCc2c(O)ccc3c2CCCC3)O1	75159607	QCICMDZXTBELEE-ZFWWWQNUSA-N	317.429	3.235	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C	128346266	YGHCBCRHEIGYCY-JKSUJKDBSA-N	313.445	3.250	10	20	DGCD	
CCCCN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])C1CC1	314733924	AUGVOLNWSFTQJS-WEVVVXLNSA-N	304.346	3.462	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1	246894844	UECOEFAOGXPMQS-PXNSSMCTSA-N	313.489	3.201	10	20	DGCD	
COC[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C)o1	266960483	JWZVKURDPITSCX-OAHLLOKOSA-N	306.381	3.270	10	20	DGCD	
CCOc1cccc(CN[C@H]2CCO[C@H](CC(C)C)C2)c1O	271952686	DUPLMPYMSGRTRC-JKSUJKDBSA-N	307.434	3.474	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCO[C@H](C)C2)c(C)n1-c1ccccc1	271397658	JPQVWKNJWKVOIM-GDBMZVCRSA-N	312.413	3.391	10	20	DGCD	
C[C@@H](NCCCc1nccs1)c1cc([N+](=O)[O-])ccc1O	273449204	FPIXIKKEESZRNO-SNVBAGLBSA-N	307.375	3.040	10	20	DGCD	
C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1	271411564	AFWCSECCLURPDX-ACJLOTCBSA-N	302.393	3.276	10	20	DGCD	
COc1cccc(CN[C@@H]2CCc3c(cccc3OC)C2)c1O	289538063	WOCGCCSVPKUAJV-OAHLLOKOSA-N	313.397	3.057	10	20	DGCD	
COc1ccccc1NC[C@@H](O)COCc1ccc(Cl)cc1	386773039	HZKNIRJBVDMCKJ-OAHLLOKOSA-N	321.804	3.338	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1O	290157007	DARSAOLTIPTFHH-LYOVBCGYSA-N	307.340	3.443	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C2(C(F)(F)F)CCC2)cc1F	294363395	AMEDHRCXJBPVAF-UHFFFAOYSA-N	318.314	3.241	10	20	DGCD	
CC[C@@H](NCC1(COC)CCOCC1)c1ccc(F)cc1O	293788141	UFXNQDBFXSTZTD-OAHLLOKOSA-N	311.397	3.015	10	20	DGCD	
Cc1ccc2c(c1)[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)CC2	817938028	BRQWZFFBYHFRBP-PMACEKPBSA-N	309.457	3.338	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@H]2CCc3ccc(F)cc32)cc1	817938854	UOKSLRNVTCGJMM-OALUTQOASA-N	313.420	3.169	10	20	DGCD	
CN(C)c1ccc(CN(C[C@H]2C[C@H]3CC[C@H]2O3)C2CC2)cc1	827442709	QOYKJFABKMCGPK-ATZDWAIDSA-N	300.446	3.285	10	20	DGCD	
Cc1cccc(CCNCc2ccc(N3CCC(O)CC3)cc2)c1	827663002	YBNYZRAEXWCBQI-UHFFFAOYSA-N	324.468	3.288	10	20	DGCD	
Fc1cc(CNCCCSc2nccs2)c(F)cn1	823938366	XWWKSCLUJXKRBV-UHFFFAOYSA-N	301.387	3.088	10	20	DGCD	
Cc1cc(O)c(CN2CCCN(C(=O)C(C)C)CC2)cc1Cl	824602043	QCIVFMHBYQLHKU-UHFFFAOYSA-N	324.852	3.044	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCS[C@H]1C	828524393	CALIUBLDZFDEOK-BBRMVZONSA-N	321.490	3.178	10	20	DGCD	
O=C(NC1CCN(CC2CCCCC2)CC1)c1cc(O)cs1	732278787	VJDGOJDENQYXNQ-UHFFFAOYSA-N	322.474	3.228	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)OCC(C)C)cc1F	731346656	OFIGEAQANMMZFT-CQSZACIVSA-N	324.440	3.349	10	20	DGCD	
Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cc(O)cs1	732353705	LDNFTLQPBYVUNE-VIFPVBQESA-N	323.345	3.085	10	20	DGCD	
COCCC[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839920210	NHXXSYXIVXFFGG-HOCLYGCPSA-N	320.477	3.171	10	20	DGCD	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2cc(O)cs2)C1	846972127	MATNVXCITVQLSD-BEAPCOKYSA-N	323.458	3.246	10	20	DGCD	
COc1cccc([C@H](C)NCC(C)(C)c2cccnc2)c1O	846171923	JNXZIBJQHSWBRI-ZDUSSCGKSA-N	300.402	3.424	10	20	DGCD	
CCN(CC)C(=O)CN(C)c1ccc(-c2nccs2)cc1	846992922	OFWVSJUFHGVIIV-UHFFFAOYSA-N	303.431	3.115	10	20	DGCD	
COc1ccc(N2CCC(NC3CCC(OC)CC3)CC2)cc1	753552251	BJKYCMJBNZCTNB-UHFFFAOYSA-N	318.461	3.211	10	20	DGCD	
O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(O)cs1	753849832	GDMDGWSHTFEGSK-WFASDCNBSA-N	317.410	3.351	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc2ccccc2s1	758433281	GXROUZDWTSUCOI-RVDMUPIBSA-N	320.373	3.363	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C2CC2)C1	764407639	OWNKLHDNTVPTSQ-MRXNPFEDSA-N	301.434	3.003	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cc3c(cn2)CCCC3)c1	861137573	RZFMGCAZSXQKGW-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
COc1cc(N(C)Cc2cccn2C2CC2)cc(OC)c1OC	1117744708	UDCQYVTUKMIUCS-UHFFFAOYSA-N	316.401	3.485	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ccc(CO)cc1	877591157	APCJHUYMAVOEJI-MRXNPFEDSA-N	312.457	3.274	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N1CCc2ccccc21	879648987	IPNWASAOSJRRLV-KGLIPLIRSA-N	310.397	3.021	10	20	DGCD	
C=C/C=C/CCNC(=O)N(CC)Cc1ccc(N(C)C)cc1	883912941	HLPYKZZGKGSUMN-BQYQJAHWSA-N	301.434	3.416	10	20	DGCD	
C[C@@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	888589349	ITNVYOTVHZLEQC-CYBMUJFWSA-N	321.384	3.270	10	20	DGCD	
Cn1nccc1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	775660774	YFGBQVVSNWOPMA-NSHDSACASA-N	323.799	3.298	10	20	DGCD	
C[C@H](CN(C)Cc1ccccc1)NCc1ccc(N(C)C)cc1	393657914	ADVMTACOEKWGOR-QGZVFWFLSA-N	311.473	3.363	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(C)[C@@H](Cc3ccccc3)C2)c1	793619018	AUVNTMFCYRUBRS-IBGZPJMESA-N	310.441	3.059	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)[C@H](O)c2ccc(C)cc2)c1	797057754	BFUPQNOPWCKTKK-NJSLBKSFSA-N	315.413	3.482	10	20	DGCD	
CCO[C@@H](CC(=O)Nc1c(Cl)ccc2nonc12)C(C)C	1323481581	BVZDGKZPJAPIHR-NSHDSACASA-N	311.769	3.266	10	20	DGCD	
CC(C)(C)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1	1324535849	AUDUDRCQWAISNU-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21	1337785087	JMAYVYPTIRABPG-OAGGEKHMSA-N	320.477	3.195	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C3(CC)CCC3)CC2)cc1	1336530901	FWTPQCQYPKUZOQ-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@@H](F)C3)ccc21	1261452199	WLYYYPOSFRGUOE-CVEARBPZSA-N	319.424	3.149	10	20	DGCD	
CO[C@@H]1CCC[C@H]1CNCc1c(O)cccc1Br	1351329754	HYIVTWYRPYSCET-IINYFYTJSA-N	314.223	3.059	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cc(C(=O)O)oc1C	1605457000	SRXPTPRHCBHGQF-UHFFFAOYSA-N	316.401	3.374	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1	1601882273	ZUGILDPEKJHAKF-DYLGSBMWSA-N	316.357	3.319	10	20	DGCD	
CCc1oc(C(=O)O)cc1CN1CCc2cc(OC)ccc21	1776996198	HVVGWOJADHWKOY-UHFFFAOYSA-N	301.342	3.112	10	20	DGCD	
CN(C)c1ccc(CNc2ccc3nnc(C(C)(C)C)n3n2)cc1	274692074	QYCLIKMUQOTCGG-UHFFFAOYSA-N	324.432	3.100	10	20	DGCD	
CCOC[C@H](NCc1c(O)cccc1Br)C(C)C	706830484	YFVIQCOGOVAAAL-ZDUSSCGKSA-N	316.239	3.305	10	20	DGCD	
CC1=NN(c2ccc(C(=O)N(C)Cc3ccccc3O)cc2)CC1	53916286	IRDVUCQBGZUEHH-UHFFFAOYSA-N	323.396	3.250	10	20	DGCD	
Cc1nn(C)c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C	106853272	FMIUWBMCRJYIGK-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)cccc1F	115282228	DUMKBPHCAZDKNY-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)Cc2ccccc2)c1	112115275	VQOPVUWWIQNAGJ-UONOGXRCSA-N	313.397	3.457	10	20	DGCD	
Cc1cnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1C	301858743	DSHDQUSIYPUOJA-HNNXBMFYSA-N	312.417	3.103	10	20	DGCD	
CN1CCC(CNCc2ccc(N3CCCCC3)cc2)CC1	65996767	HQCIAKDXFHOKFS-UHFFFAOYSA-N	301.478	3.108	10	20	DGCD	
CC[C@@H]1CCCCN1CCN[C@@H](C)c1cc(OC)ccc1O	185443131	BZZKCVXWYFOUIL-LSDHHAIUSA-N	306.450	3.316	10	20	DGCD	
CCOc1cccc(CNc2cccc([S@](C)=O)c2)c1O	121793811	ZQOJSUKOHZMCDI-OAQYLSRUSA-N	305.399	3.140	10	20	DGCD	
CCOc1ccc(C#N)cc1NCc1cc2c(cc1O)OCO2	181416576	YSDWOSSZUJBTCC-UHFFFAOYSA-N	312.325	3.003	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccccc2OCC(F)F)c(O)c1O	182809976	LQHIZWGDBXMSOG-UHFFFAOYSA-N	323.295	3.302	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)SC	134001828	BYCZGTDGIVOMKD-ZDUSSCGKSA-N	309.479	3.036	10	20	DGCD	
Cc1c(CNC(=O)c2cccc3nc[nH]c23)n(C)c2ccccc12	352121837	RRWSLGUYWINORO-UHFFFAOYSA-N	318.380	3.293	10	20	DGCD	
C[C@@H](NCC1CCN(C2CC2)CC1)c1ccc(N(C)C)cc1	278374076	DQAJBATVNPCFCZ-OAHLLOKOSA-N	301.478	3.278	10	20	DGCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4cc(Cl)cc(F)c4O)[C@@H]1[C@H]3C2	809698248	WRJGPBGQFTXCCA-PYJLPLTJSA-N	311.784	3.040	10	20	DGCD	
COc1cc(CCNCc2cccc(OC)c2O)ccc1Cl	293477438	ROIZMYDQJNICHA-UHFFFAOYSA-N	321.804	3.395	10	20	DGCD	
CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1cc(C)ccc1O	809723332	HALKAMFIDFMLLN-INIZCTEOSA-N	320.433	3.143	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2cc(C3CC3)[nH]n2)C2CC2)cc1	298378751	OGESMIKSCYWYAP-UHFFFAOYSA-N	324.428	3.158	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1F	817938254	HMQFERYQQXLXLG-SGTLLEGYSA-N	319.399	3.381	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC1CCC(CN)CC1	817934493	JSTUAIWNZBXGSH-KLHKWILBSA-N	303.494	3.099	10	20	DGCD	
CCc1cccc(CN2CCOC(C3CC3)(C3CC3)C2)c1O	827533768	XKSYKPBHSCAAJG-UHFFFAOYSA-N	301.430	3.346	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc3ccccc3n2C)c1	728983092	UKMSQKPQNOLKNJ-LBPRGKRZSA-N	324.380	3.384	10	20	DGCD	
CCCn1ncc(NCc2cc([N+](=O)[O-])ccc2O)c1C1CC1	824631440	ZZOMHPMBRZDYPJ-UHFFFAOYSA-N	316.361	3.396	10	20	DGCD	
CS[C@@H]1CCN(Cc2cc(C)cc(Br)c2O)C1	824683587	RCWIXHLKKDIDSD-LLVKDONJSA-N	316.264	3.400	10	20	DGCD	
C[C@@](O)(CN[C@@H]1CCc2cccc(O)c21)c1cccc(F)c1	903312296	YQVFQDALIQHCSE-CRAIPNDOSA-N	301.361	3.016	10	20	DGCD	
Cc1cc(CN2CC3(CCOCC3)C[C@H]2C)ccc1N(C)C	830603605	XDDSIFSDAMFNHE-MRXNPFEDSA-N	302.462	3.452	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)/C=C\C2CCOCC2)cc1	732634380	ACBXACLFRYRTTP-YFHOEESVSA-N	316.445	3.132	10	20	DGCD	
CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C1=CCCC1	837216069	MNKLNYVOQKHUQP-NTMALXAHSA-N	301.386	3.364	10	20	DGCD	
C[C@@H](CCc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1	588403513	MIZUXGAPHCZFJQ-HCYCVZQXSA-N	311.381	3.249	10	20	DGCD	
CC(=O)N(c1ccc(NC(=O)c2cc(O)cs2)cc1)C1CC1	832908577	MWHDPRCXBPDNKY-UHFFFAOYSA-N	316.382	3.221	10	20	DGCD	
O=C(NCCCSc1nccs1)c1scnc1Cl	733975188	ZCPQJPOZXNEJEJ-UHFFFAOYSA-N	319.864	3.165	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CSC(F)F	839921883	LKVUIQDISNPSSW-NSHDSACASA-N	316.417	3.064	10	20	DGCD	
Cc1cc(Br)c(O)c(CN2C[C@H]3[C@H](C2)C3(F)F)c1	846111841	NXQJMMWEXWHUEX-UWVGGRQHSA-N	318.161	3.160	10	20	DGCD	
C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1C	745788196	GUHOPGQVKRBEOJ-HUUCEWRRSA-N	315.461	3.399	10	20	DGCD	
CO[C@](C)(C1CC1)[C@@H](C)NCc1cc(Cl)cc(F)c1O	840961024	PKBJIANFXWJULI-PSLIRLAXSA-N	301.789	3.478	10	20	DGCD	
C[C@@H]1C[C@@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C1	740906140	AMGQYMLMQSEYIH-HUUCEWRRSA-N	301.434	3.227	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C)c1O	846159911	NPJVSAGMACCBRU-IUODEOHRSA-N	323.433	3.418	10	20	DGCD	
C[C@@H]1C[C@H](NCC[C@H]2CCCN(C)C2)c2c(O)ccc(F)c21	840811205	ZOPXSFSWUFGXLH-NFAWXSAZSA-N	306.425	3.401	10	20	DGCD	
Nc1ccc(NC(=O)NCc2ccccc2OCC2CC2)cc1	841300181	LVHIDTQPSJZCBW-UHFFFAOYSA-N	311.385	3.379	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1C[C@@H](O)C[C@@H]1c1ccccc1	840956714	CSLURHRDQUVURS-GOEBONIOSA-N	321.779	3.493	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H]3C=C[C@H]2C3)c1	922047105	YYALONCGXYBNJD-YJBOKZPZSA-N	320.392	3.307	10	20	DGCD	
C[C@H](N[C@H]1CCSC1)c1cc(Br)cc(F)c1O	756730860	CAVAHPSCJHHFHC-CBAPKCEASA-N	320.227	3.450	10	20	DGCD	
CC(C)c1nocc1C(=O)NCCCSc1nccs1	859351925	JYGASJJXHFDSQK-UHFFFAOYSA-N	311.432	3.167	10	20	DGCD	
C[C@H](NCCN1CCc2ccccc21)c1cc(F)cc(F)c1O	756483822	RWUGOZRROCUYNJ-LBPRGKRZSA-N	318.367	3.384	10	20	DGCD	
CCOC(=O)/C=C\CN(Cc1ccco1)Cc1ccccc1O	929969320	LWFIEGZYFQOMDJ-YHYXMXQVSA-N	315.369	3.107	10	20	DGCD	
COc1ccc(F)cc1CC(=O)NCc1cc(Cl)ccc1O	857548401	LSUMDQNJLUQTMM-UHFFFAOYSA-N	323.751	3.052	10	20	DGCD	
O=C(OCc1ncc(-c2cccs2)o1)c1cccc(O)c1O	758581245	LPGMVYLENCVCJT-UHFFFAOYSA-N	317.322	3.171	10	20	DGCD	
COC1CCN(c2ccc(CN3CC[C@H]4C[C@H]4C3)cc2)CC1	852634131	KQBNJTHCRKNLIO-IRXDYDNUSA-N	300.446	3.144	10	20	DGCD	
C[C@H](NC(=O)c1cc(Cl)ncc1F)c1ccc(N(C)C)cc1	935463367	IOFXGNSCADXTGZ-JTQLQIEISA-N	321.783	3.431	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H](CCN(C)C)C(C)(C)C)c1ccccc1O	868264757	UWPTUKVJPCMXJE-CJNGLKHVSA-N	321.465	3.119	10	20	DGCD	
CCOc1cccc(CN(C)[C@H]2CCN(CC)[C@H](C)C2)c1O	769470055	JIDRSGLZVGVYHW-ZBFHGGJFSA-N	306.450	3.096	10	20	DGCD	
C[C@@H](NC(=O)N[C@H](CCN(C)C)C(C)(C)C)c1ccccc1O	868264758	UWPTUKVJPCMXJE-CZUORRHYSA-N	321.465	3.119	10	20	DGCD	
COCCOCc1ccc(NCc2cccc(C)c2O)cc1	862531649	IRULOQAGZCDIDK-UHFFFAOYSA-N	301.386	3.476	10	20	DGCD	
CCC(CC)CN(CC)CC(=O)NCc1ccc(N(C)C)cc1	764193470	UJFDDTJHDQUDSQ-UHFFFAOYSA-N	319.493	3.127	10	20	DGCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc[nH]1	760840897	JFDJAEXYDPOXFI-SNVBAGLBSA-N	310.448	3.014	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](F)C1	861861143	FGGUFEFIMYNQPQ-OAHLLOKOSA-N	314.360	3.091	10	20	DGCD	
CC(C)OCCCCNCc1cc(F)c(N(C)C)cc1F	1118804354	HVSVPEJIFTZGBQ-UHFFFAOYSA-N	300.393	3.326	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2CCCC[C@@H]2N(C)C)c1O	1116583656	NDZMJHLLLGQKAG-KBPBESRZSA-N	312.841	3.017	10	20	DGCD	
C[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1O	877755543	DPIPZUCPRRTANS-PBHICJAKSA-N	313.397	3.411	10	20	DGCD	
C[C@H](NC(=O)N1C[C@H]2[C@H](C1)C2(C)C)c1ccc(N(C)C)cc1	773613297	PRULPGMOHPGZML-RCBQFDQVSA-N	301.434	3.111	10	20	DGCD	
CO[C@@H](CNCc1cc(Br)cc(C)c1O)C(C)C	776219345	FQJBEUWCMAJKEI-ZDUSSCGKSA-N	316.239	3.224	10	20	DGCD	
O=C(NCc1ccccc1N1CCCCC1)c1cc(O)cs1	778515867	UBPKCDPVZUABMC-UHFFFAOYSA-N	316.426	3.374	10	20	DGCD	
CCOc1ccc(CNc2ccc(-n3ccnc3C)nc2)c(O)c1	777513349	AJGQKCBTPLVQAW-UHFFFAOYSA-N	324.384	3.292	10	20	DGCD	
CC(C)N(C(=O)CN[C@H](C)c1ccc(N(C)C)cc1)C(C)C	775833348	BWVOWYAUNBGXNT-OAHLLOKOSA-N	305.466	3.049	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CSc2ccccc21	779517444	BDNWEWGZKDKFAN-STMXVASLSA-N	313.378	3.074	10	20	DGCD	
CC(C)[C@H](CN[C@H](C)c1ccc(F)cc1O)c1ccnn1C	788260115	TXPRAEMNUFDNDA-DOMZBBRYSA-N	305.397	3.355	10	20	DGCD	
C[C@H](NC[C@@H]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1O	788774366	CREUKYHKKZBQJP-AXFHLTTASA-N	303.324	3.223	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)c(O)c1O	780966298	YXTYNBMTWVWJOE-ZDUSSCGKSA-N	317.307	3.257	10	20	DGCD	
COc1cc(C)cc(CN2CC(C)(CC(F)(F)F)C2)c1O	894980705	XPPUGNJBVMDLPA-UHFFFAOYSA-N	303.324	3.484	10	20	DGCD	
CCOc1cccc(CNCc2c(C)nc3ccccn23)c1O	898275699	AXAHSEPKJNCMFL-UHFFFAOYSA-N	311.385	3.037	10	20	DGCD	
CCCN(CCN1CCCC1)Cc1cc(F)cc(C(C)=O)c1O	796378388	IXYHUMAJPRDTAW-UHFFFAOYSA-N	322.424	3.042	10	20	DGCD	
C[C@@H](Cc1ccco1)NCc1ccc(Br)cc1O	691452119	CQRLKNSGYXSGNZ-JTQLQIEISA-N	310.191	3.469	10	20	DGCD	
C[C@@H](Cc1ccccn1)NCc1cccc(Br)c1O	694083188	WFVWSWDALLLSOM-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
CCOc1ccc(N2CCN([C@@H](C)c3ccccn3)CC2)cc1	1320578763	PWHXAWSBBDXQEQ-INIZCTEOSA-N	311.429	3.364	10	20	DGCD	
C[C@H]1CCCCN1C[C@@H]1CCCN(Cc2ccc(N)cc2)C1	1334753949	KBWPDRMYWWFJJA-FUHWJXTLSA-N	301.478	3.355	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCOC(C)(C)C2)cc1	1335724050	DZUUMGFRZUEHDL-MRXNPFEDSA-N	318.461	3.354	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1	1261377029	GEXAFTDNHBNLQK-HOTGVXAUSA-N	301.434	3.033	10	20	DGCD	
CC[C@@H](NCc1cc(C(=O)O)c(C)n1C)c1ccc(C)cc1O	1605098636	HDJXFJDAOYQHPT-MRXNPFEDSA-N	316.401	3.287	10	20	DGCD	
Cn1nc(C(=O)Nc2ccc(N)cc2)cc1-c1ccc(F)cc1	1579989992	ZKWWZVVEDVJURY-UHFFFAOYSA-N	310.332	3.061	10	20	DGCD	
CCCN(Cc1ccc(/C=C/C(=O)O)o1)Cc1ccccc1O	1595888236	KWUYUPJUVPPZNT-MDZDMXLPSA-N	315.369	3.495	10	20	DGCD	
C[C@@H]1CC[C@@](NCc2cc(Cl)cc(Cl)c2O)(C(=O)O)C1	1776628117	SHHSAAYJPSDGLP-CLAHSXSESA-N	318.200	3.432	10	20	DGCD	
CCC[C@H](CNCc1cc(Cl)cc(OC)c1O)OCC	705354922	YVKBHLOLYLVFCD-CYBMUJFWSA-N	301.814	3.349	10	20	DGCD	
C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1ccccc1O	109770782	DWCRJUDRVVADKT-LLVKDONJSA-N	320.339	3.129	10	20	DGCD	
CCC[C@@H](C)CS(=O)(=O)NCc1ccc(N2CCCC2)cc1	172088787	DQGAORTXOBUSCZ-OAHLLOKOSA-N	324.490	3.142	10	20	DGCD	
COc1ccc(CCCN(C)Cc2cc(OC)ccc2O)cc1	179797332	BPLSYSIVRHRBGL-UHFFFAOYSA-N	315.413	3.474	10	20	DGCD	
Cc1ccc(F)c(C(=O)NCc2ccc(N(C)C)cc2C)c1	115279802	IXQHDSKMZCQGBM-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)cn1	126582635	NUGPPZPZGQWRSK-UHFFFAOYSA-N	304.777	3.493	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2scnc2C)c(OC)c1	186884276	RWDBGBXNFFCJJB-BQYQJAHWSA-N	318.398	3.145	10	20	DGCD	
CC[C@@H]1CC[C@H](C)N1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	317704553	OPZIKFCRBAIIQJ-FGKTYIOBSA-N	304.346	3.460	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1c(C)nn(C)c1Cl	76074369	XSRLHPOBNCPWRQ-UHFFFAOYSA-N	307.825	3.500	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccnn3C)c2C)c1	120064312	OXTQBUVNQQCZJU-UHFFFAOYSA-N	308.385	3.388	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](C(C)(C)C(=O)O)C2)cc1	318130032	SLYPRDCCHCGOCU-OAHLLOKOSA-N	304.434	3.075	10	20	DGCD	
Cc1ccc(NC2=NC(=O)/C(=C\c3csnn3)S2)c(C)c1	45745704	PHHMHHNCMKXUJY-WUXMJOGZSA-N	316.411	3.237	10	20	DGCD	
Cc1occc1-c1nnc(Sc2ncc([N+](=O)[O-])s2)o1	195506275	WYIYBXNXUXEPAA-UHFFFAOYSA-N	310.316	3.154	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1C	41374020	UHDBHXWPENVBPK-UHFFFAOYSA-N	310.397	3.392	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)cc1C	237267324	RSPQEENNSZOAMZ-ZDUSSCGKSA-N	313.401	3.345	10	20	DGCD	
CCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	140937548	OVCSTCYMUPMGNK-HUUCEWRRSA-N	319.449	3.072	10	20	DGCD	
CO[C@H](C)CCN[C@@H](C)c1cc(Br)ccc1O	273565214	JEAJMEPZSARLPV-ZJUUUORDSA-N	302.212	3.230	10	20	DGCD	
CCOC1CC(CN2CCCN(c3ccc(OC)cc3)CC2)C1	375689575	QVJFARNJOAQHDA-UHFFFAOYSA-N	318.461	3.022	10	20	DGCD	
CSC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	291594300	GNQSHWMSCZIGCX-OAHLLOKOSA-N	321.490	3.037	10	20	DGCD	
CCCc1cc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)no1	294580097	BOVAOOGSKJWXJQ-UHFFFAOYSA-N	315.417	3.355	10	20	DGCD	
c1ccc(CN2CCc3cc(CN4CCOCC4)ccc32)cc1	809538831	JUZAPDXDFPSPMY-UHFFFAOYSA-N	308.425	3.082	10	20	DGCD	
O=C(NCc1ccoc1)NCc1cc(Cl)cc(Cl)c1O	804986264	FJSPMKXPPFYNHS-UHFFFAOYSA-N	315.156	3.291	10	20	DGCD	
C[C@@H]1CC(CCNC(=O)N(C)Cc2ccccc2O)C[C@@H](C)O1	802508860	LPRHBXPIRVAIFR-ZIAGYGMSSA-N	320.433	3.127	10	20	DGCD	
CSC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	814178710	AMIKONNOFACMNM-KRWDZBQOSA-N	320.502	3.098	10	20	DGCD	
COc1cc(CN(C)C[C@@H]2CCC[C@H]2O)c(O)c(C(C)(C)C)c1	824920213	HYDMPWAVUUGECR-SUMWQHHRSA-N	321.461	3.291	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cc(C)no2)cc1	728221430	UJVKGBNXOXBFJL-UHFFFAOYSA-N	301.390	3.101	10	20	DGCD	
Cc1cccc(CN[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1O	825111358	MWUVMARTYLILNV-CABCVRRESA-N	324.424	3.157	10	20	DGCD	
Cc1ccc(F)c(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	822264926	GORSGAMJZKTCGA-UHFFFAOYSA-N	314.404	3.401	10	20	DGCD	
COc1nccc(CN(Cc2ccccc2O)C2CCCC2)n1	823448216	VAQJWVADIMONPT-UHFFFAOYSA-N	313.401	3.136	10	20	DGCD	
CC1(C)CCN(Cc2ccc3ccccc3c2O)CC[S@]1=O	825023674	GVLFULQSJFNMSF-JOCHJYFZSA-N	317.454	3.278	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C\c1ccc[nH]1	839922896	ZZGUHMLYIJTTAG-WKTRQSJXSA-N	311.429	3.150	10	20	DGCD	
C[C@H](NCc1nc(O)c2ccccc2n1)c1ccc(N(C)C)cc1	839562890	DXQCTMVMTMKKIS-ZDUSSCGKSA-N	322.412	3.252	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@@H]2COC[C@@H]2C)c1O	903395296	KUCGXPACSSGDRB-OUJBWJOFSA-N	314.223	3.149	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cc(F)cc([N+](=O)[O-])c1	830394982	SVYFJAVPUJZLIF-UHFFFAOYSA-N	309.249	3.167	10	20	DGCD	
O=C(NCCc1cccc(Cl)c1)NCc1ccccc1O	748463636	ZETZQFSDTSJWPI-UHFFFAOYSA-N	304.777	3.088	10	20	DGCD	
Cc1ncc(C(=O)NCc2cc(Cl)ccc2O)c(C(C)C)n1	846476302	NKDGKGDKGLFXSH-UHFFFAOYSA-N	319.792	3.197	10	20	DGCD	
C[C@@H](SCc1ccccc1)C(=O)NCc1ccccc1O	748344989	FMDXYVYUVWKHMN-CYBMUJFWSA-N	301.411	3.330	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)CO1	845125036	KPUGBDOOLHZRDQ-GRDNDAEWSA-N	319.449	3.023	10	20	DGCD	
CC[C@@H](C)[C@@](C)(O)CNCc1c(O)cccc1Br	858135612	ZVJXWMLTVYGMCC-YGRLFVJLSA-N	316.239	3.041	10	20	DGCD	
COc1ccc(N(C)CC(=O)NCCC2=CCCCC2)cc1F	757852324	JZGYPNPRDQHNHD-UHFFFAOYSA-N	320.408	3.277	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1	921815220	IXNLSGWHWMRWIQ-YVHKJVDXSA-N	321.486	3.181	10	20	DGCD	
Cc1ccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)o1	753960541	CPHOPULQHGJSID-UHFFFAOYSA-N	312.413	3.437	10	20	DGCD	
CC1CCN(C[C@H](C)N[C@H](C)c2cc(F)cc(F)c2O)CC1	850544118	TUPRETARZZTSTJ-QWHCGFSZSA-N	312.404	3.441	10	20	DGCD	
C[C@@H](N[C@H]1CC[C@H](O)CC1)c1cc(Br)ccc1O	756771360	WGWLEJDWPLQMPP-YUSALJHKSA-N	314.223	3.109	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)N2	132245423	HUZVOMDQQKRSHL-NEPJUHHUSA-N	301.217	3.025	10	20	DGCD	
Cc1nn(-c2ccccn2)c(C)c1CN[C@H](C)c1ccccc1O	877756023	ZEFOTDIBLQVMCC-CYBMUJFWSA-N	322.412	3.441	10	20	DGCD	
CO[C@H]1CCC[C@H]1CNCc1cccc(Br)c1O	774832145	JGTLXNSDBPSTSP-GWCFXTLKSA-N	314.223	3.059	10	20	DGCD	
COc1ccc(N2CCCN(C[C@@](C)(OC)C3CC3)CC2)cc1	876630799	KZAJLNKDYVFNMA-LJQANCHMSA-N	318.461	3.022	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC[C@@H]4CCC[C@@H]43)cc2)CC1	876638030	ABQQTDCBXWONEF-PXNSSMCTSA-N	314.473	3.412	10	20	DGCD	
CC(C)n1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	772997292	FXWCYTKUWYQXFZ-ZDUSSCGKSA-N	300.406	3.021	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC4(CCC4)C3)cc2)CC1	876742398	OQNFZVWPBKTLBF-UHFFFAOYSA-N	300.446	3.024	10	20	DGCD	
CCN(CC)c1ccc(CNc2nnc(C)c(C)n2)cc1F	775474939	XENBAPTVKTVMKA-UHFFFAOYSA-N	303.385	3.086	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2cccc(F)c2C)c1O	774928796	LGMPVWFPMRXFFJ-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
COc1ccc(CNCCNC(=O)C2=CCCCCC2)cc1C	1126214263	CFLNGHQUTNPCLD-UHFFFAOYSA-N	316.445	3.100	10	20	DGCD	
Oc1cc2c(cc1CN1CCC3(CCOCC3)CC1)CCC2	789528339	FBSASKWPEXVLID-UHFFFAOYSA-N	301.430	3.274	10	20	DGCD	
CSc1ccccc1S(=O)(=O)Nc1ccc(O)cc1C	780389761	UAWNTFGFKAXZLC-UHFFFAOYSA-N	309.412	3.223	10	20	DGCD	
CCOCOc1ccc(CNCc2cc(OC)ccc2O)cc1	782958525	BSTCWRRGRYRPMZ-UHFFFAOYSA-N	317.385	3.063	10	20	DGCD	
CN(C)c1ccc(CNCC[C@H](O)C2CC2)c(C(F)(F)F)c1	898196897	BOTVXRVZSVCHJH-HNNXBMFYSA-N	316.367	3.022	10	20	DGCD	
CCOc1ccccc1CNCc1cc(C)cc(OC)c1O	894200314	ZHDTYBHGTPRUAB-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C(C)C)[C@@H](CO)C(C)C)c1O	894902651	KHVCWHWVVQFWAH-DOTOQJQBSA-N	309.450	3.088	10	20	DGCD	
CCOC(=O)N1CC[C@H](N[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1	1338185073	CZHZFFRWCOIOFM-RDBSUJKOSA-N	318.417	3.069	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCC[C@H]1O	1341944716	KPYFMDXQPHOADB-IEBWSBKVSA-N	302.462	3.270	10	20	DGCD	
O=C(O)[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc21	1594903445	UXRCJQSUVXWFHV-IAGOWNOFSA-N	309.365	3.024	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@H](CC)c1ccccc1O	156923566	LSRDTWKYEBNVKO-OAHLLOKOSA-N	301.434	3.491	10	20	DGCD	
Cc1cc(C(=O)OC[C@H]2CC[C@@H](C)O2)c(C)n1-c1ccccn1	159273460	KEKJNWBKQXLMDO-UKRRQHHQSA-N	314.385	3.213	10	20	DGCD	
CCC[C@@H](CNCc1cccc(Br)c1O)OC	378689563	HLNVKGUGQQOCHB-NSHDSACASA-N	302.212	3.059	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cc(F)ccc3F)ccc21	58768862	JVUCELKZLXDJFL-UHFFFAOYSA-N	316.351	3.277	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1	58556215	DIZZAMNLWYXZPI-CYBMUJFWSA-N	315.392	3.452	10	20	DGCD	
COc1ccc(N(C)Cc2cn3cccc(C)c3n2)cc1OC	64517344	FAUVNEBLYJKKBG-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C[C@@H](C)c2cccc(F)c2)c1	116452159	HKTDJRUGBHFITE-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
C[C@@H](Nc1ncncc1Cl)c1ccc(N2CCOCC2)cc1	302616239	FZTBUYSBMHVHIQ-GFCCVEGCSA-N	318.808	3.140	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1c(C)n[nH]c1C	183551429	ZMRFLQAAWBBJIM-LBPRGKRZSA-N	315.417	3.274	10	20	DGCD	
CC[C@@H](CO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	188275145	JKNLWQZODATVFZ-AWEZNQCLSA-N	320.820	3.248	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1c[nH]nc1-c1ccsc1	188503912	SHGNJQOSHCUDRV-UHFFFAOYSA-N	313.382	3.116	10	20	DGCD	
CCOC[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1O	313451552	RXNLHDUUQLXBLM-HNNXBMFYSA-N	309.381	3.125	10	20	DGCD	
CCO[C@H](CNCc1cccc(OC)c1O)c1ccccc1	194465014	NTQHNFLRTTZWSY-QGZVFWFLSA-N	301.386	3.268	10	20	DGCD	
COc1cccc(C(=O)NCc2c(C)c3ccccc3n2C)c1	348661947	APORNXGOJKQZBO-UHFFFAOYSA-N	308.381	3.425	10	20	DGCD	
COc1ccc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)cc1C	269114347	DANXIMKEZQPJTG-WBVHZDCISA-N	307.459	3.148	10	20	DGCD	
COCCC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	272121972	SMMDSTMOLRXTHO-OAHLLOKOSA-N	318.461	3.306	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc(F)cc2O)c(OC)c1	273441883	YVKZCOOFOYYZIO-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
Cc1nccn1CCN[C@H](C)c1ccc(Br)cc1O	273564544	JBFATDUBZMAUSR-SNVBAGLBSA-N	324.222	3.010	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCC23CCOCC3)c1	282954485	ZITNCIJWLRFBKS-SUMWQHHRSA-N	305.418	3.401	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC[C@H](O)c2ccccc2)c1	289538153	WPMYQHOAVQNDJQ-DYVFJYSZSA-N	301.386	3.175	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1C	376938589	ZVJWQRBKWFMJLV-HXUWFJFHSA-N	322.408	3.105	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1	289641113	SMSMROOPPZMUEQ-MSOLQXFVSA-N	300.446	3.286	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCCO1	281226238	BZBGRRKNLVABNR-CQSZACIVSA-N	311.809	3.249	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)Nc2ccncc2)C2CC2)cc1	299124328	FNNSCDLGQWUUDA-UHFFFAOYSA-N	310.401	3.344	10	20	DGCD	
CCOc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1	293110120	XHGZNHSYNWRUBF-UKTHLTGXSA-N	305.424	3.449	10	20	DGCD	
CSC[C@@H](CCO)N[C@@H](C)c1cc(Cl)cc(C)c1O	808699075	RUPPEZVXRMFNNO-CMPLNLGQSA-N	303.855	3.119	10	20	DGCD	
CC[C@@H](CN[C@H](C)c1cc(Br)c(F)cc1O)OC	810260727	NMKOYKWIVSMHFN-BDAKNGLRSA-N	320.202	3.369	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@H](C2CCCC2)C2CC2)cc1	817940875	LTNCDPAEQNGLAX-RBUKOAKNSA-N	301.478	3.311	10	20	DGCD	
CC[C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OC	810176169	JKHYIGFSCSEZPL-OAHLLOKOSA-N	321.421	3.100	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2n[nH]cc2Br)c(O)c1	815581758	OPLONDWBPVSJJG-SNVBAGLBSA-N	324.222	3.345	10	20	DGCD	
CC[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(C)(C)O	816652999	BNPNLLJRSFSPKS-AWEZNQCLSA-N	318.383	3.411	10	20	DGCD	
CCc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)ccn1	827327600	MIHRBKZPMJCAKS-UHFFFAOYSA-N	311.429	3.117	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)[C@@H](OC)C2CC2)ccc1OC	825098207	CVASZTPKWONYPU-SCLBCKFNSA-N	307.434	3.135	10	20	DGCD	
CCc1cccc(NC(=S)NCc2cc(N(C)C)ccn2)c1	905619397	UYZJTRHWUWJQOB-UHFFFAOYSA-N	314.458	3.197	10	20	DGCD	
O=C(O)[C@@H](CNCc1ccc2c(c1)CCCO2)CC1CCCC1	900083428	IGUSRQVVEBDPMX-QGZVFWFLSA-N	317.429	3.382	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]1(C)CCCCO1	839921315	CHKIEOCDLBUWDZ-HNAYVOBHSA-N	318.461	3.067	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)OCC(C)C	839918591	MWTADRYJEJJGQK-HZPDHXFCSA-N	320.477	3.169	10	20	DGCD	
CCOc1ccc(O)c(CN(Cc2cnn(C)c2)CC(C)C)c1	835077030	NZMVOABWSWBDQE-UHFFFAOYSA-N	317.433	3.183	10	20	DGCD	
CO[C@@H]1COCC[C@@H]1CN[C@@H](C)c1cc(Cl)cc(C)c1O	834880790	QUPWUFYQTCFZAS-YWPYICTPSA-N	313.825	3.056	10	20	DGCD	
CC1(C)[C@@H]2CN(Cc3c(O)c(C(=O)O)cc4ccccc34)C[C@H]21	736727557	YQFCJLZOJOAVHT-HZPDHXFCSA-N	311.381	3.331	10	20	DGCD	
Cc1cc(CN2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)ccc1N1CCCCC1	831631557	KEXDGPCDDUFGPQ-KOUHRCEDSA-N	324.468	3.371	10	20	DGCD	
CCCN(CCO)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	914535114	GSMXEPAWTGQKIG-UHFFFAOYSA-N	314.429	3.247	10	20	DGCD	
CN1CCCc2cc(CNC(=O)[C@@H]3Cc4ccccc43)ccc21	741914746	KOIQUBBHECULPM-GOSISDBHSA-N	306.409	3.025	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccccc2C2CC2)cc1	841044659	DZOWQIYQHKNBHW-FQEVSTJZSA-N	309.457	3.420	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OC)o1	847399151	OBPOGXXUBNIZGQ-UHFFFAOYSA-N	302.374	3.017	10	20	DGCD	
CS[C@H](C)CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840334444	NHYVXGIZNXBWEW-ZIAGYGMSSA-N	323.506	3.043	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCCCN	843486118	QANWSPZJLQEBRS-UHFFFAOYSA-N	305.466	3.009	10	20	DGCD	
Cc1noc(-c2ccc(NCc3ccc(N(C)C)cc3C)nc2)n1	742407389	BKYQKBUNKITZKU-UHFFFAOYSA-N	323.400	3.427	10	20	DGCD	
Cc1nn(C(C)C)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1	847303855	DIVRFSYVVODGGX-UHFFFAOYSA-N	314.433	3.111	10	20	DGCD	
C[C@@H](OC(=O)c1cc(O)cs1)c1nc(-c2ccccc2)no1	745001877	DJXMZLINFACRNL-SECBINFHSA-N	316.338	3.422	10	20	DGCD	
COc1cccc(CNC[C@H](C(=O)OC(C)(C)C)C(C)C)c1O	848566350	VSRYRNFEHHESKQ-AWEZNQCLSA-N	323.433	3.104	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cnc[nH]2)c1	742179777	LDXVBOVVDXHDJX-UHFFFAOYSA-N	308.385	3.056	10	20	DGCD	
CC(C)[C@H]1N(C(=O)NCCc2ccc(N)cc2)CC12CCC2	841955437	BZNWCCQJVTUEJR-MRXNPFEDSA-N	301.434	3.031	10	20	DGCD	
Cc1cc(C)c(O)c(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1	754736841	NWLNAILVGIYEDQ-DGCLKSJQSA-N	303.324	3.161	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C1CCOCC1	756627892	IUSNFQABUHQUKL-XHDPSFHLSA-N	308.378	3.156	10	20	DGCD	
Cc1ccc(C(=O)OCc2nc3ccccc3nc2C)c(O)c1O	750619543	QSIFGKPFCGWZDK-UHFFFAOYSA-N	324.336	3.015	10	20	DGCD	
C[C@H](N[C@@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1O	850536645	IPGLNOJVUOKXQZ-HZMBPMFUSA-N	305.324	3.325	10	20	DGCD	
C[C@H](NCCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1O	756442410	PIDFMXTVGUIXJO-VIFPVBQESA-N	314.216	3.326	10	20	DGCD	
COc1cc(CNCc2cc(C)nn2C)c(O)c(C(C)(C)C)c1	850287551	ADUNNEWDMTZDBA-UHFFFAOYSA-N	317.433	3.030	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCN3CCC[C@H]3C2)c2c(O)ccc(F)c21	756416034	GIIFYOKAJFILNV-OSFYFWSMSA-N	304.409	3.296	10	20	DGCD	
CCc1cnccc1[C@H](C)NC(=O)NCc1cc(C)ccc1O	858344487	OXKDDIRKTSWBPZ-ZDUSSCGKSA-N	313.401	3.218	10	20	DGCD	
COc1cccc(C[C@@H](C)CC(=O)NCc2ccccc2O)c1	934935261	HBBMNYQGFXFHFE-CQSZACIVSA-N	313.397	3.286	10	20	DGCD	
C[C@@H](NC(=O)Nc1nc2c(s1)CCC2)c1ccccc1O	866161831	XZKMUODSKFUJAH-SECBINFHSA-N	303.387	3.220	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1nc(-c2ccccc2)no1	768662477	AJFHKLUIZSTFHR-UHFFFAOYSA-N	315.760	3.385	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NOCC(F)F)c1	760151226	PTNJZLZKOVYHIF-UHFFFAOYSA-N	308.328	3.329	10	20	DGCD	
O=C(O)C[C@H](NCc1ccc(N2CCCCC2)cc1)C1CC1	779491644	RWPQODYQRFIZBG-KRWDZBQOSA-N	302.418	3.020	10	20	DGCD	
CC(C)CO[C@H](C)c1noc(CN[C@H](C)c2ccccc2O)n1	879648200	DPKAHNZQRGQHFZ-CHWSQXEVSA-N	319.405	3.360	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)c1O	775016102	NZTATAILVIYSHS-NTZNESFSSA-N	308.378	3.223	10	20	DGCD	
CN(Cc1cccc(-n2cccn2)c1)c1ccc2c(c1)OCO2	780778463	KZJWCBAFHXASBA-UHFFFAOYSA-N	307.353	3.237	10	20	DGCD	
C[C@H](CN[C@@H]1CCc2cccc(O)c21)N(C)Cc1ccccc1	390563189	NOAYFQGKWSPEIF-CRAIPNDOSA-N	310.441	3.490	10	20	DGCD	
COc1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)c(O)c1OC	892621137	HRWBNYROJWMISK-BXUZGUMPSA-N	317.385	3.416	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1cc(C(F)(F)F)n[nH]1	799336576	OIBMYOOAOINWTK-UHFFFAOYSA-N	312.339	3.093	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@H](C)NC(=O)C(C)(C)C)cc1C	1135987796	IOEJVIJGFCVYRV-CABCVRRESA-N	320.477	3.423	10	20	DGCD	
CSC1(CNCc2c(O)cccc2Br)CC1	706872562	XPXGJWMOESTHFQ-UHFFFAOYSA-N	302.237	3.140	10	20	DGCD	
c1ccc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)nc1	1204319762	GXZCTWQXAWSOMV-UHFFFAOYSA-N	322.456	3.004	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](c3ccccn3)C2)c1O	799192231	CZCAOKIASPNAPL-ZDUSSCGKSA-N	314.360	3.118	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CC[C@H](N2CCCCC2)C1	792167730	OQYZMSLSHOOGQU-LBPRGKRZSA-N	312.816	3.245	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC(C)(C)CF)cc1F	1255084014	VVPJIAVPRCTNTJ-UHFFFAOYSA-N	313.392	3.219	10	20	DGCD	
Cc1cc(CN2CC[C@@](O)(C3CC3)C2)ccc1N1CCCCC1	1330597942	HAKPUWGMPIUKIR-FQEVSTJZSA-N	314.473	3.332	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)Cc2ccsc2)c1	1348099939	NNGQFEOGDHRZMW-GFCCVEGCSA-N	304.415	3.193	10	20	DGCD	
C[C@H](C1CC1)N(C)c1nnc(-c2sccc2O)n1CC1CC1	1518342568	BDJZMDQCVADXBV-SNVBAGLBSA-N	318.446	3.357	10	20	DGCD	
C[C@H](Cc1ccsc1)N(C)C(=O)NCCc1ccc(N)cc1	1576065369	CHRYICQEJITMFR-CYBMUJFWSA-N	317.458	3.145	10	20	DGCD	
Cc1nc(C(=O)Oc2ccc(N)cc2)sc1Br	1579854130	UHMURPDJUDUURB-UHFFFAOYSA-N	313.176	3.015	10	20	DGCD	
CCCSC[C@H](NCc1ccc(N(CC)CC)cc1)C(=O)O	1776826329	WIZVHVUQLYFIDF-INIZCTEOSA-N	324.490	3.219	10	20	DGCD	
CCN1CCc2cc(CN[C@H](CC3CCCC3)C(=O)O)ccc21	1776877169	RSXHEQSWNANMME-QGZVFWFLSA-N	316.445	3.192	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC2CCSCC2)c1	160716162	IYEPEMIDVIQSAM-LLVKDONJSA-N	309.431	3.111	10	20	DGCD	
COC[C@@H](NCc1ccc(N2CCSCC2)cc1)C(C)C	163621508	ZJFHCQSMWXPSTH-QGZVFWFLSA-N	308.491	3.000	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c1O	175847716	LWBMTVWFUMPVIM-OCCSQVGLSA-N	320.433	3.415	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2ccc(Cl)cn2)c1	186107661	MQOVWCAXOIGXKO-NSHDSACASA-N	322.792	3.179	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2CCN(CC(F)(F)F)C2)c1	193505579	ABMCZOKPAXVSJV-QWHCGFSZSA-N	316.367	3.235	10	20	DGCD	
Cc1onc(-c2ccncc2)c1C(=O)N(C)Cc1ccccc1O	135034577	GGAQTIUYDOAOAT-UHFFFAOYSA-N	323.352	3.023	10	20	DGCD	
CC(=O)N1CCC(N[C@@H](C)c2ccc3ccccc3c2O)CC1	320028283	GUSMRWAAKKFMNM-ZDUSSCGKSA-N	312.413	3.207	10	20	DGCD	
C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(N2CCOCC2)cc1	367969370	ZARAQYHPQBJPDT-YWZLYKJASA-N	324.424	3.135	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2nnc3n2CCCCC3)cc1	277280982	SJKKWVPYIIICFS-UHFFFAOYSA-N	314.433	3.428	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](OCC3CC3)C2)c1O	375320658	RMGBVOSJSIQDRH-MRXNPFEDSA-N	321.392	3.125	10	20	DGCD	
Cc1nnc([C@@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH]1	286212572	BPIABKGMKNZJIT-CYBMUJFWSA-N	323.400	3.012	10	20	DGCD	
C[C@@H](CO)CCCNCc1ccc(N(C)C)cc1C(F)(F)F	280164066	FUFMHRFNUSBHHL-GFCCVEGCSA-N	318.383	3.270	10	20	DGCD	
FC1(F)CCC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1	800277477	UAPPKJXEWOSQES-MRXNPFEDSA-N	324.415	3.438	10	20	DGCD	
C[C@H]1C[C@@H](NC[C@H](O)Cc2ccccc2)c2c(O)ccc(F)c21	806167705	GFLUYATTWWXVJS-JGGQBBKZSA-N	315.388	3.273	10	20	DGCD	
CCOC(=O)c1cnc(Sc2ncc3ccccn23)s1	809343258	IPJPFCMKLTZXOB-UHFFFAOYSA-N	305.384	3.119	10	20	DGCD	
CCCOc1ccc(CNc2cn(C)nc2C2CC2)c(O)c1	291206835	IBXVOLPPEZPLKP-UHFFFAOYSA-N	301.390	3.404	10	20	DGCD	
Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c(O)c1O	293898642	RBPAHKXAVPJAGU-INIZCTEOSA-N	312.369	3.025	10	20	DGCD	
CC[C@@H](NCc1ccc(Br)cc1O)[C@@H]1CCCO1	825391522	XOERRIIHWYDULO-OCCSQVGLSA-N	314.223	3.202	10	20	DGCD	
CC/C(C)=C\C(=O)NCc1ccc(N2CCSCC2)cc1	822586340	NSKAWEVKEQQPCB-OWBHPGMISA-N	304.459	3.212	10	20	DGCD	
CCC[C@@H](OC)C(=O)NCc1cc(Cl)cc(Cl)c1O	832059883	UZEVZLWRYQBLSS-LLVKDONJSA-N	306.189	3.130	10	20	DGCD	
CCOC(=O)N[C@H](CN[C@@H]1CCc2cccc(O)c21)CC(C)C	834502001	LRVDSDWYFJKDIA-LSDHHAIUSA-N	320.433	3.130	10	20	DGCD	
O=C(OCc1cccc(OC(F)F)c1)c1cc(O)cs1	732353281	DXKVGXGMDYCFLC-UHFFFAOYSA-N	300.282	3.412	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1	832108340	AZDJMONFNXQRMZ-PKOBYXMFSA-N	308.425	3.339	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccsc2C(=O)O)c1	833733924	VWPREANRKCKFCD-SECBINFHSA-N	307.371	3.011	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21	840892591	BKOGXSSGPWBYGV-DAYGRLMNSA-N	312.461	3.484	10	20	DGCD	
CC[C@@H](C)N(CC(=O)O)Cc1ccc(N2CCCCC2)cc1	840996660	GLNGYQCSJGLRBH-OAHLLOKOSA-N	304.434	3.362	10	20	DGCD	
CSCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	917931995	JCLYWDDNNKQSMM-UHFFFAOYSA-N	302.443	3.495	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(CO)cc2)cc1F	842732803	XGKUOKWJKXTNMP-UHFFFAOYSA-N	316.420	3.454	10	20	DGCD	
COCCN(Cc1ccco1)Cc1ccc(N(C)C)cc1C	840910715	QOKCDBPPVDTKAM-UHFFFAOYSA-N	302.418	3.303	10	20	DGCD	
Cc1ccc(F)c(CN(C)C(=O)NCCc2ccc(N)cc2)c1	841957513	CLNFLYSISCXALC-UHFFFAOYSA-N	315.392	3.100	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2CN(C)Cc3ccccc32)c1O	846157688	OMKDBLXAOQGEMB-SUMWQHHRSA-N	312.413	3.238	10	20	DGCD	
CCc1csc(NC(=O)NCc2ccc(N(C)C)cc2)n1	743224381	IRLGXUVLGSBFKY-UHFFFAOYSA-N	304.419	3.093	10	20	DGCD	
C[C@@H](NC[C@H](C1CC1)N(C)C)c1cc2c(cc1O)CCCC2	756434406	XALYFNUYNVKVDJ-FZKQIMNGSA-N	302.462	3.262	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1C	750827078	VJTVNYCWBRCLNJ-WBMJQRKESA-N	322.424	3.039	10	20	DGCD	
C[C@H](OC(=O)c1cccc(O)c1O)c1ncc(C(C)(C)C)o1	758581947	QMQRCBBOWSQNBB-VIFPVBQESA-N	305.330	3.301	10	20	DGCD	
COc1c(N[C@H](C)c2ccc(C)c(C)c2O)cccc1C(N)=O	757660011	YFADEACZZQOGSY-GFCCVEGCSA-N	314.385	3.290	10	20	DGCD	
CN(C)c1ccc(CN2CCc3nc(C(C)(C)C)ncc3C2)cc1	859441848	DWCJNQQVODUFGS-UHFFFAOYSA-N	324.472	3.398	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1onc(C)c1[N+](=O)[O-]	851792477	OYOMIBOZAMUDOW-UHFFFAOYSA-N	305.334	3.009	10	20	DGCD	
CCOc1ccc(CNCc2cc(OC)ccc2O)c(C)c1	850136750	CFJKXIAVZMPLFF-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1cc(Br)ccc1O)C(C)C	756628569	WISXNNGTXOWHFM-IINYFYTJSA-N	316.239	3.476	10	20	DGCD	
CN1CCN(c2ccc(CN3CC[C@H](C(C)(C)C)C3)cc2)CC1	753592658	ZMHFOYPUUBPPTC-SFHVURJKSA-N	315.505	3.306	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)C1(F)CCCC1	765755122	FWKLVWBJKOTLSA-UHFFFAOYSA-N	316.170	3.053	10	20	DGCD	
C[C@H]1CC[C@@H](C(=O)NCc2cccc(Br)c2O)C1	765770965	UGFRFIIDNWRBIY-VHSXEESVSA-N	312.207	3.207	10	20	DGCD	
CCC(CC)(CC)C(=O)NCc1ccc(N2CCOCC2)cc1	760434708	ODUNUDCGGASIEJ-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
C[C@@H](NCCn1cnc2ccccc21)c1ccc(N(C)C)cc1	765396984	OVSUJAOHZQSXJN-OAHLLOKOSA-N	308.429	3.453	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1=CCCC1	760593904	GMYGXHIHWMGWKD-UHFFFAOYSA-N	304.353	3.445	10	20	DGCD	
CC1CCC(N(Cc2cc3c(cc2O)OC[C@H]3O)C2CC2)CC1	768440464	WMRNOYDZMWRCCB-OOKWDQIISA-N	317.429	3.361	10	20	DGCD	
CC[C@@H](NCc1cc(OC)ccc1O)[C@H](O)c1ccccc1	877832176	HLBYRNAPMJARMY-SJLPKXTDSA-N	301.386	3.003	10	20	DGCD	
CCCn1ccnc1CCCN(C)Cc1ccc(C)cc1O	877528576	DWLUPXXJEZSFHD-UHFFFAOYSA-N	301.434	3.372	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C[C@H](OC)C1CCOCC1	876522089	HGTGQPWZEPFRMJ-IBGZPJMESA-N	320.477	3.016	10	20	DGCD	
CC[C@H](NC[C@H]1C[C@@H](N)C1)c1ccc(Cl)c(Cl)c1O	873252425	RPLDVUONOCIIPX-SBMIAAHKSA-N	303.233	3.477	10	20	DGCD	
C[C@H](CCc1ccc(F)cc1)C(=O)NCCc1ccc(N)cc1	876528768	YQYVVPMRDJTXLF-CQSZACIVSA-N	314.404	3.336	10	20	DGCD	
C[C@@H](NC(=O)c1cccc2nc[nH]c12)c1ccc(N(C)C)cc1	775410112	JTUDRCRFAWCJMX-GFCCVEGCSA-N	308.385	3.120	10	20	DGCD	
COC(=O)CCN(Cc1cc(Cl)cc(F)c1O)CC(C)C	775653763	BEKAJXWFCHWVEW-UHFFFAOYSA-N	317.788	3.206	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)N[C@H](C)c1c(O)cccc1F	886597191	YSLBJUXLKUNKGM-HIFRSBDPSA-N	303.377	3.094	10	20	DGCD	
CCCO[C@H]1CCCN(Cc2ccc(OC)c(OC)c2O)CC1	892008758	VKWWNLUMFRGEJO-HNNXBMFYSA-N	323.433	3.191	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCO[C@H](c2ccccc2)C1	893919184	HYDKWKNLJHMRQX-INIZCTEOSA-N	305.324	3.244	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c2cccnc12	791341510	YWBOAFPXWBJHFD-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
COc1ccc(CN2CCc3c(C)cccc3C2)c(O)c1OC	891944090	XSWXHMBYINPUES-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c(O)c1	792934980	BJFIMYPRNCAJIH-TYNCELHUSA-N	306.406	3.025	10	20	DGCD	
Fc1cc(CN[C@@H]2CCC[C@@H](F)C2)ccc1N1CCOCC1	1326190348	WVXLBQUFAQZJNR-HUUCEWRRSA-N	310.388	3.033	10	20	DGCD	
O=C(O)[C@H](CC1CC1)NCc1cc(Cl)cc(Cl)c1O	1261889959	PLCWGTWJGZGIEN-NSHDSACASA-N	304.173	3.042	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCC(=O)c1cccs1	53914745	CWGRJARPUNXUBP-UHFFFAOYSA-N	303.383	3.075	10	20	DGCD	
COc1ccc(NC(=O)[C@H](C)Sc2nccs2)c(OC)c1	52914343	QWQCDYPSCQMJNF-VIFPVBQESA-N	324.427	3.280	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)c(O)c1O	179392639	QUCBPNBVVUFMHC-CYBMUJFWSA-N	315.394	3.373	10	20	DGCD	
C/C(=C/C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1	65561628	JBLAZTJAUYJEPY-PLFFATQSSA-N	314.429	3.057	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Cl)o1	173185686	APBUKCZYDXEMRG-UHFFFAOYSA-N	306.749	3.038	10	20	DGCD	
Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)nc1	184239425	VXBQTQRAVMSVDT-UHFFFAOYSA-N	308.385	3.088	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1	189619786	KSPYNZDSWMAHOJ-UKRRQHHQSA-N	317.351	3.274	10	20	DGCD	
Cc1ccc(C)c(NC(=O)NCCc2ccc(O)c(O)c2)c1	128409817	BFIFYANZAURNLC-UHFFFAOYSA-N	300.358	3.079	10	20	DGCD	
Cc1c(Cl)cccc1OCC(=O)N(C)Cc1ccccc1O	76991057	YIQWBAXBBIOBKZ-UHFFFAOYSA-N	319.788	3.391	10	20	DGCD	
C[C@@H](N[C@H]1CCc2[nH]ncc2C1)c1cc2c(cc1O)CCCC2	186115436	XLIHAZALWYOMBT-WBMJQRKESA-N	311.429	3.202	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)CCC(C)(C)C)c1O	74326626	ZOYSAJGYTKQHLC-GFCCVEGCSA-N	308.422	3.415	10	20	DGCD	
CC[C@@H]1CC[C@@H](C)N1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	317704556	OPZIKFCRBAIIQJ-JPUNHXPESA-N	304.346	3.460	10	20	DGCD	
COc1ccc(O)c([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1	77430992	JOBQDRBQKIAMTE-HNNXBMFYSA-N	318.760	3.251	10	20	DGCD	
Cc1c(CN[C@@H](C)c2ccc(Br)cc2O)cnn1C	186188378	JZOZCNSTENYHNG-VIFPVBQESA-N	324.222	3.047	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)c1ccnc(C)n1	131226602	YGPGUXFUBDNHSL-UHFFFAOYSA-N	322.206	3.280	10	20	DGCD	
CC[C@H](NC[C@@H](C)OC)c1cc(Br)ccc1O	191206453	HKPPQDLQBBOIMT-SKDRFNHKSA-N	302.212	3.230	10	20	DGCD	
CCC(CC)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	194940740	VNCMYVSWLIAPNX-MRXNPFEDSA-N	305.418	3.336	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](c2ccccc2)N(C)C)c1	192907346	XXCJFDVYYAQHHO-RDTXWAMCSA-N	314.429	3.354	10	20	DGCD	
CCc1c(Cl)nc(C)nc1NCc1cccc(OC)c1O	91479310	XNCSUEVDYHLIHC-UHFFFAOYSA-N	307.781	3.327	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CC1CC1	266568257	WYHRWUCAEDZYOQ-UHFFFAOYSA-N	312.207	3.303	10	20	DGCD	
COC[C@@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	266009917	OYFFKSMQBZMNMW-MRXNPFEDSA-N	312.413	3.203	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O	274820814	BPDHMGWGJHJJIB-QZTJIDSGSA-N	324.424	3.234	10	20	DGCD	
COC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCC1	276606266	QQWAAMXXYOLNHY-UHFFFAOYSA-N	316.445	3.203	10	20	DGCD	
C[C@H](NCC1([S@@](C)=O)CCC1)c1cc2c(cc1O)CCCC2	280874135	AKRGKDLLYNGSLY-WHEQGISXSA-N	321.486	3.223	10	20	DGCD	
CCn1cc(CCN(Cc2ccc(N(C)C)cc2)C2CC2)cn1	285058862	ONUONYCHGKEJNY-UHFFFAOYSA-N	312.461	3.176	10	20	DGCD	
C[C@@H](NCC1([S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1O	282220522	HYEIPHBZNAWEJH-YLVJLNSGSA-N	322.257	3.261	10	20	DGCD	
CSCC1CCC(NC(=O)NCc2ccccc2O)CC1	297205129	LTDGPAMLUJPMPB-UHFFFAOYSA-N	308.447	3.113	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@]2(C)CCCO)c1O	290301377	BHOFAPFJPDXNKK-MRXNPFEDSA-N	313.825	3.181	10	20	DGCD	
C[C@H](Cc1cncc2ccccc12)C(=O)NCc1ccccc1O	806717309	FNHKFUKANMTNGZ-CQSZACIVSA-N	320.392	3.435	10	20	DGCD	
COCCOCc1ccc(CN[C@@H](C)c2ccccc2O)cc1	291296491	SCIGDQCDFHYTAN-HNNXBMFYSA-N	315.413	3.406	10	20	DGCD	
COc1ccc2c(c1)OCCN(Cc1ccc(N(C)C)cc1)C2	801966850	YVDMBONGYXCVTF-UHFFFAOYSA-N	312.413	3.156	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H](c2cccnc2)C2CCC2)cc1	817943263	SXJZCELRPOIATI-WOJBJXKFSA-N	324.472	3.278	10	20	DGCD	
C[C@H]1CCN(CCN[C@@H](C)c2cccc(C(F)(F)F)c2O)C1	815585988	WTXZRCBLMLRZMD-RYUDHWBXSA-N	316.367	3.403	10	20	DGCD	
C[C@@H](NCCNC1CC1)c1ccc(N2CCCCCC2)cc1	817953583	OPTZAKZKTDMQBR-MRXNPFEDSA-N	301.478	3.470	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccnc(Cl)c1	817939895	CZZLFMAMADQPMA-WBMJQRKESA-N	318.852	3.152	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](CO)NCc1cc(Cl)c(F)cc1O	816550442	RCUXXEIFFLTUPY-MEDUHNTESA-N	323.795	3.439	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](O)CCc2ccccc2)cc1Cl	825500493	DFTDYGSUETUBMQ-INIZCTEOSA-N	319.832	3.437	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCOCC2CC2)cc1	731012455	WLSSEYKTTVTSLN-UHFFFAOYSA-N	312.413	3.251	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC(c2ccc(O)cc2)CC1	732265892	KWKATNKZINVOPF-UHFFFAOYSA-N	303.383	3.179	10	20	DGCD	
CC[C@H]1CN(C)CCN1Cc1c(O)ccc2ccc(OC)cc12	840094531	VAYIAHSIDLQLRG-HNNXBMFYSA-N	314.429	3.080	10	20	DGCD	
CCOC(=O)c1ccc(CNCc2cccc(CC)c2O)o1	848910536	LAHRKHRIQGLENN-UHFFFAOYSA-N	303.358	3.014	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCC(C)(C)c2ccccc2)cc1	841044970	HCAZYGAUFCDAIL-IBGZPJMESA-N	311.473	3.320	10	20	DGCD	
CCc1ccc([C@H](O)CN[C@H](C)c2cccc(OC)c2O)cc1	846170959	NPIKYIJHPVXYCA-CXAGYDPISA-N	315.413	3.347	10	20	DGCD	
CC[C@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	743760533	QFDJOFWJHQDELA-IBGZPJMESA-N	314.429	3.293	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1O	840398249	WRXHMEXIDNGIMC-ZFWWWQNUSA-N	318.417	3.026	10	20	DGCD	
CCN(CC(=O)c1cc(C)n(C)c1C)c1ccc(OC)cc1	754642076	XAGANODCKRMCJW-UHFFFAOYSA-N	300.402	3.360	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@@H](CO)Cc2ccco2)c2c(O)ccc(F)c21	756659294	CQHLPTKZDZUUQW-XUJVJEKNSA-N	319.376	3.113	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@]2(C)C(=O)O)cc1	756390684	VVCWHUXXCAYVFN-AEFFLSMTSA-N	304.434	3.266	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2COc3cc(F)ccc3C2)c1	850536091	BREUQXCGFAPQEO-FZMZJTMJSA-N	317.360	3.194	10	20	DGCD	
O=C(NC[C@@H](O)c1cc2ccccc2s1)c1cc(O)cs1	758332542	UMLSUCSLTNHDSS-LLVKDONJSA-N	319.407	3.132	10	20	DGCD	
COc1cc(CN[C@H](C)Cn2cccn2)c(O)c(C(C)(C)C)c1	850028411	PCUFRQJEUYLVOP-CYBMUJFWSA-N	317.433	3.073	10	20	DGCD	
C[C@H](NCCN1CCc2ccccc21)c1cc(F)ccc1O	756484426	XIWKKFGACXCRHJ-ZDUSSCGKSA-N	300.377	3.245	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1ccc(O)c(Cl)c1	857547485	GQNYTXBFQPQMFY-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C	850568009	NVVPRTXWSIWHSA-ZMYBRWDISA-N	302.462	3.172	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2cncc(F)c2)c1	757640827	VBANEELDYAXJOW-QWRGUYRKSA-N	318.348	3.125	10	20	DGCD	
CCN1CC[C@H](CNCc2cc(OC)cc(C(C)(C)C)c2O)C1	850034830	REIREGXTXQZYSL-CQSZACIVSA-N	320.477	3.130	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC(C)C)cc2)o1	759932465	GPQYCNFHRTUXPG-UHFFFAOYSA-N	303.358	3.490	10	20	DGCD	
CCN(CC)c1ccc(/C=C/c2cc(C(=O)O)ncn2)cc1F	761205698	PTYAPLWWUTUHPK-FNORWQNLSA-N	315.348	3.331	10	20	DGCD	
C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc(O)cs2)CC1	765865935	OHKYGEJZJYQXLL-NSHDSACASA-N	322.455	3.034	10	20	DGCD	
C[C@H](CC(=O)NCc1cccc(Br)c1O)C1CC1	765733233	VSLJQNXAVWEQNR-SECBINFHSA-N	312.207	3.207	10	20	DGCD	
COc1cc(Cl)cc(CN(C)Cc2cccc(C)n2)c1O	761200927	AOEGYWKRBDCJOQ-UHFFFAOYSA-N	306.793	3.390	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)cnc2Cl)c1	878730341	HEZCFHTUMGATHQ-JTQLQIEISA-N	320.776	3.249	10	20	DGCD	
C[C@H](C1CC1)N(Cc1ccc(N2CCC(O)CC2)cc1)C1CC1	876597117	GJBFSPBEGZJHDM-OAHLLOKOSA-N	314.473	3.411	10	20	DGCD	
CC(C)(NC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1	776646581	ZPECATBSRHRGGL-UHFFFAOYSA-N	305.761	3.416	10	20	DGCD	
CC(C)[C@H]1CCN1C(=O)NCc1ccc(N2CCCC2)cc1	776038228	VWVZSOPETDFLIM-QGZVFWFLSA-N	301.434	3.227	10	20	DGCD	
CC[C@@H](NCCOC[C@H]1CCOC1)c1cc(Cl)ccc1O	775504478	YJXOQAUKSBBOSM-SWLSCSKDSA-N	313.825	3.139	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(F)cn1)c1ccc(N(C)C)cc1	775729735	PUNAQLSUQCQMCX-NSHDSACASA-N	302.353	3.169	10	20	DGCD	
Cc1nonc1CN[C@H](C)c1ccc(Cl)c(Cl)c1O	872135531	FTAODXNFVHMGQF-ZCFIWIBFSA-N	302.161	3.241	10	20	DGCD	
C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1)c1ccccc1O	879650062	ZIVFGSXTDRHIGW-OCCSQVGLSA-N	321.804	3.136	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1N(C)C	776163453	BKMZXOQMMFEQAI-KBAYOESNSA-N	300.446	3.108	10	20	DGCD	
CCCOc1ccc(CNCC[S@](=O)C(C)(C)C)cc1C	873053332	ISFBMWNBNRJRLD-NRFANRHFSA-N	311.491	3.421	10	20	DGCD	
CCN(C)c1ccc(CN2CCCC[C@@H]2CC(=O)OC)cc1	773747910	KYRLEMMQRHBVLT-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc3c(c2)CCC=C3)c1	788299292	RGVJKRVKISUYBU-UHFFFAOYSA-N	309.365	3.290	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1conc1C	888722743	PRMIUQBKSYUMPQ-LBPRGKRZSA-N	316.405	3.110	10	20	DGCD	
O=[N+]([O-])c1ccc(CNCc2ccc3c(c2)CCO3)cc1Cl	783608656	JZJSLLZLQNYBKY-UHFFFAOYSA-N	318.760	3.473	10	20	DGCD	
COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]1C	787420683	KNMLHKLBSPVIPU-KWQFWETISA-N	318.200	3.082	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCCS1	783036803	CQWUJWONGDYIRP-MRXNPFEDSA-N	304.459	3.189	10	20	DGCD	
CC[C@H](N[C@H](CO)c1ccccc1OC)c1ccc(F)cc1O	796818472	UTHJHTZNBBGNRD-JKSUJKDBSA-N	319.376	3.314	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1	686281611	VYSFQCFYPWEOKN-QWHCGFSZSA-N	320.433	3.298	10	20	DGCD	
CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccc(C)c(O)c1O	794326124	FYTUPRWDIYSACZ-WCQYABFASA-N	307.390	3.236	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O	796735947	BCHONCGTRYXNIP-DGCLKSJQSA-N	320.330	3.209	10	20	DGCD	
C[C@@H](NCCCn1ccnc1)c1cccc(C(F)(F)F)c1O	798179916	SUMFYWWCZQFREY-LLVKDONJSA-N	313.323	3.348	10	20	DGCD	
CC[C@@H](NC[C@H]1CCCN(C(C)=O)C1)c1cc(Cl)ccc1O	794834330	MVACMOMYRXPQNQ-CZUORRHYSA-N	324.852	3.345	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)CC3CCCC3)CC2)cc1	1319381831	UZDYRGIPIIUPPW-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
COC1CN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)C1	1328356713	XKUQMLQUVSHDFZ-UHFFFAOYSA-N	318.804	3.218	10	20	DGCD	
O=C(O)CCC[C@H]1CCC[C@H](NCc2c(O)cccc2F)C1	1608709306	LXUCPZCBVMVFPE-OLZOCXBDSA-N	309.381	3.435	10	20	DGCD	
O=C(O)COc1ccc(N(C/C=C\Cl)C/C=C/Cl)cc1	1610786821	STGAPVJTADKATC-JOTJMYPPSA-N	316.184	3.461	10	20	DGCD	
COc1cccc(N(CC(C)C)C(=O)/C=C/[C@H]2CCCNC2)c1	1579280252	GCKOFQFZACRRSJ-ZNFPLGDCSA-N	316.445	3.240	10	20	DGCD	
Nc1ccc(CCNC(=O)c2ccc3c(c2)CCCCC3=O)cc1	1580443516	MRXHLCCAUIKDLP-UHFFFAOYSA-N	322.408	3.150	10	20	DGCD	
CCN1CCCc2cc(CN[C@H]3C[C@@H](CCC(=O)O)C3)ccc21	1776876390	QLWKMYHXHVTQOK-KDYLLFBJSA-N	316.445	3.192	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CSC)cc1	172492022	VNBPBOIAUAYRFA-ZDUSSCGKSA-N	309.479	3.084	10	20	DGCD	
CCO[C@H](CCNC(=O)NCc1ccc(N)cc1)C1CCCC1	1346367492	QRWABLYJOGAXPR-QGZVFWFLSA-N	319.449	3.053	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(C2CC=CC2)n1CC1CC1	1346554513	QVDPEEVXLMITQR-UHFFFAOYSA-N	324.428	3.464	10	20	DGCD	
Fc1cc(CNc2ccncc2Cl)ccc1N1CCOCC1	176821522	YJSZUUBBRTUJDP-UHFFFAOYSA-N	321.783	3.323	10	20	DGCD	
CCCn1c(C(=O)NCc2ccc(O)c(O)c2)cc2ccccc21	188451803	UERYYQHLUCLJER-UHFFFAOYSA-N	324.380	3.393	10	20	DGCD	
CCCC[C@@H](COC)NC(=O)N(C)Cc1ccc(N(C)C)cc1	77795581	MQGBLHQNYZRRPX-INIZCTEOSA-N	321.465	3.099	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](N3CCCC3)CC2)cc1F	129210190	OHDGHQDPSOXACX-QGZVFWFLSA-N	319.468	3.342	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1	180766081	FFESWHLGOBAHRX-CXAGYDPISA-N	320.864	3.494	10	20	DGCD	
C[C@H](NCC1CCN(CC(F)(F)F)CC1)c1ccccc1O	188519537	WBJHJSFVNCFZOT-LBPRGKRZSA-N	316.367	3.317	10	20	DGCD	
CCOCCOCCN(C)Cc1c(O)ccc2ccccc12	189236046	SDCNUQPTUHPPKB-UHFFFAOYSA-N	303.402	3.030	10	20	DGCD	
CCCC(O)(CCC)CC(=O)NCc1ccc(N(C)C)c(F)c1	131492089	GKWIJORZPLZTOX-UHFFFAOYSA-N	324.440	3.229	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1O	186190322	WNSXCOUTFNGOIM-APPDUMDISA-N	307.340	3.229	10	20	DGCD	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1Cc1ccon1	130317336	JIRAHQAAVFSPMZ-KPKJPENVSA-N	320.370	3.215	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@@H]1CCOC2(CCOCC2)C1	322301650	WDRUCSNDLTWAQQ-GOSISDBHSA-N	318.461	3.090	10	20	DGCD	
Cc1ccc2c(CCNCc3cc4c(cc3O)OCO4)c[nH]c2c1	237817959	INJJDQAGNXKSCZ-UHFFFAOYSA-N	324.380	3.243	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1	90795446	WGTBAGIQGSFAES-QRWLVFNGSA-N	310.441	3.237	10	20	DGCD	
CC(C)COCCCNCc1cccc(Br)c1O	42411811	NHECCDMFSRGTEW-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
CCN(Cc1c(C)nn(C)c1Cl)c1ccc(OC)c(OC)c1	269635752	QYHFCTYSKMSUNZ-UHFFFAOYSA-N	323.824	3.426	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1CC=CCC1	277495195	JUSFNMVUSVIBGA-SNVBAGLBSA-N	310.191	3.127	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@H](O)CCc1ccccc1	273179305	XJKWFTIMSCEVPV-CQSZACIVSA-N	305.805	3.129	10	20	DGCD	
CC[C@H](NCCc1cn2c(n1)SCC2)c1ccc(C)cc1O	280083103	LWBLCKUDWDKLOD-HNNXBMFYSA-N	317.458	3.286	10	20	DGCD	
O=C(/C=C/c1cncs1)NCc1ccc(N2CCCC2)cc1	282924263	FCCJNSVSOGXZPM-BQYQJAHWSA-N	313.426	3.073	10	20	DGCD	
CC[C@H](NC[C@@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1O	287102636	QDNWWZOOCFJJKL-BBRMVZONSA-N	324.852	3.345	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c(O)c1C	285843419	YPGFTKMSHBASOD-DDUZABMNSA-N	318.461	3.353	10	20	DGCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(NC(N)=O)cc1	297581043	HCXLWMASWJBAHC-XHDPSFHLSA-N	311.385	3.221	10	20	DGCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccc2c(c1)CC(=O)N2C	297601021	IANPEBMXABCSGF-BLLLJJGKSA-N	322.408	3.249	10	20	DGCD	
Cc1nc2cccc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)c2[nH]1	801953590	RLYLEQUVTTVAML-LBPRGKRZSA-N	322.412	3.428	10	20	DGCD	
C[C@@H](CCO)CCNCc1ccc(N(C)C)cc1C(F)(F)F	294683840	BHQHMEOWQUPIIJ-GFCCVEGCSA-N	318.383	3.270	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1	294604527	DJCIYTIMCGPSBA-KBPBESRZSA-N	304.434	3.059	10	20	DGCD	
CC[C@@H](c1ccccc1O)N1CCC[C@H](CC(C)(C)C(N)=O)C1	294887908	WDUBDKOLWZFUHU-ZBFHGGJFSA-N	318.461	3.457	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)C3CCC3)C2)cc1	819586526	ANANYYVWARXLAX-CABCVRRESA-N	316.445	3.074	10	20	DGCD	
O[C@@H](CNCCCSc1nccs1)c1ccccc1F	819064270	VLXDELROSFBWGB-ZDUSSCGKSA-N	312.435	3.088	10	20	DGCD	
CO[C@H](C)[C@@H](C)N[C@H](C)c1cc(Br)c(F)cc1O	810257056	GQQRLOJFGBESKX-IWSPIJDZSA-N	320.202	3.368	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CCc3nc(C)ncc3C2)c(O)c1	815557748	CQPSNYUEYSNGSM-XJKSGUPXSA-N	311.429	3.316	10	20	DGCD	
CC[C@@H](NC[C@H](N)C1CC1)c1cc(Cl)cc(Cl)c1O	817964576	CPUDPJMRFJKJSI-QWHCGFSZSA-N	303.233	3.477	10	20	DGCD	
Cc1cc(O)c(CN[C@](C)(CO)c2ccccc2)cc1Cl	825278998	RHEIDQCTLHHUBV-QGZVFWFLSA-N	305.805	3.351	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN[C@@H]1CCN(C2CC2)C1	729681963	PJSAIXDMOVJPPK-GOSISDBHSA-N	308.425	3.386	10	20	DGCD	
CO[C@@H]1CCC[C@H]1CNCc1ccc(Br)cc1O	825405865	LFSWKKRXGOFWPS-SMDDNHRTSA-N	314.223	3.059	10	20	DGCD	
Cc1ccc(O)c(CNC2CCN(CCc3ccccc3)CC2)c1	733324685	SSBNMMUTDIRFJF-UHFFFAOYSA-N	324.468	3.497	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H]3CCC[C@]3(C(=O)O)C2)cc1	901526567	WYIRIFIJQYNGAT-APWZRJJASA-N	316.445	3.220	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cnsn1	839113004	MWFBELOPJWUSFD-UHFFFAOYSA-N	319.434	3.047	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1nnc(CC)s1	908045452	PAOZERIRPOIQKW-UHFFFAOYSA-N	319.430	3.249	10	20	DGCD	
CCN(CC)c1ccc(CNc2cccc(C(=O)O)n2)cc1F	833654645	YODQUJHJXVMZJF-UHFFFAOYSA-N	317.364	3.377	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=S)NC1CCCCC1	734384756	LDPKDIHYUNIQLJ-UHFFFAOYSA-N	305.491	3.358	10	20	DGCD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCc2ccc(N)cc2)o1	832653130	QBPSPYBBPISCGM-DYVFJYSZSA-N	312.413	3.277	10	20	DGCD	
CC(C)(C)OC(=O)[C@@H](C(=O)NCc1ccccc1O)C(C)(C)C	830526394	LCAORPODIIJZER-CQSZACIVSA-N	321.417	3.012	10	20	DGCD	
CSc1cc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1	831925524	YJYNELIHBLFKFN-SNVBAGLBSA-N	321.398	3.082	10	20	DGCD	
CCC(C)(C)OCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839921192	BCMKNSBODAPMQK-OAHLLOKOSA-N	320.477	3.313	10	20	DGCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc(Cl)c2ccccc2c1O	840838694	RSAPZEFQXAQYDV-HNNXBMFYSA-N	318.804	3.428	10	20	DGCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)C1(CC)CC	749559411	RYISOFVFQDVPHG-HZPDHXFCSA-N	320.433	3.175	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccsc2Cl)cc1	841042183	LKZPPSVSQVOVNO-CQSZACIVSA-N	309.866	3.257	10	20	DGCD	
O=C(O)[C@@H](CNCc1ccc(N2CCCCC2)cc1)CC1CC1	844291701	YCXGNSJCVWYCJH-QGZVFWFLSA-N	316.445	3.267	10	20	DGCD	
COc1cc(F)c(CNCc2ccc3c(c2)CCO3)cc1OC	845929007	JDMMHFOBLBXBEE-UHFFFAOYSA-N	317.360	3.068	10	20	DGCD	
N[C@@H]1CCC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@@H]21	843058029	LMVDYHYGRKWAIU-YZGWKJHDSA-N	313.489	3.236	10	20	DGCD	
Cc1cc(C(=O)N=[S@](C)(=O)C(C)C)c(C)n1-c1ccccn1	926068519	QUJCQSKQTICUNA-JOCHJYFZSA-N	319.430	3.136	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1CO	857062217	ZCZGJLHJOUCBRJ-GXSJLCMTSA-N	304.217	3.149	10	20	DGCD	
CC(C)[C@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)CCO1	858156849	SGDXQHNXCVJXEL-CXAGYDPISA-N	312.404	3.324	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cc(OC)ns1	851721454	LEXAORZTVCTDSA-UHFFFAOYSA-N	305.447	3.240	10	20	DGCD	
C[C@H]1CSc2ccccc2N(C(=O)/C=C\c2cnn(C)c2)C1	754370578	DGMXOTJMVMVHRO-MEJMFZKBSA-N	313.426	3.208	10	20	DGCD	
C[C@@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1	850558877	VAKMKBJBWVOOJM-CABCVRRESA-N	317.477	3.050	10	20	DGCD	
COc1cc(CN[C@H]2CCC[C@H]2CCO)c(O)c(C(C)(C)C)c1	850252821	HLVUILHFRNVWKC-GUYCJALGSA-N	321.461	3.339	10	20	DGCD	
CCN(CCOC)Cc1ccc(OCc2ccccc2)cc1O	753541156	XWIGKPHXINEYEH-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
CC[C@H](NCC(C)(C)[C@]1(O)CCCOC1)c1ccccc1O	850561080	HXAMYSRPDWNDTP-YJBOKZPZSA-N	307.434	3.001	10	20	DGCD	
C[C@H](CN[C@@H](C)c1cc(Cl)ccc1O)CC1(C)OCCO1	866424136	CPDOCTRQZGGKIU-RYUDHWBXSA-N	313.825	3.485	10	20	DGCD	
COC(C)(C)c1nsc(NCc2c(O)cccc2Cl)n1	865296292	UMDHWAYMYHGITA-UHFFFAOYSA-N	313.810	3.391	10	20	DGCD	
CCc1ccc(F)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	867302493	PVBPIADUAJSSLJ-NSHDSACASA-N	317.360	3.160	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@@H](N(C)Cc3ccccc3)C2)c1	769499896	SJSZLOGKUAZNEI-LJQANCHMSA-N	310.441	3.407	10	20	DGCD	
C[C@@H](CC(C)(C)NCc1cc(F)c(N(C)C)cc1F)C(=O)O	864513992	MNCUQDJMYRIJDW-JTQLQIEISA-N	314.376	3.010	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1)c1ccccc1O	868308896	CTNBHDVQZNFSLK-XVSDVWIESA-N	310.397	3.483	10	20	DGCD	
CS[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccccc1O	868740736	RPLSQSOSKSBVON-UXIGCNINSA-N	308.447	3.427	10	20	DGCD	
CCCCN(CC(=O)Nc1ccccn1)Cc1ccccc1O	878565133	IXAHFFBZUSWBAI-UHFFFAOYSA-N	313.401	3.028	10	20	DGCD	
COc1ccc(O)c(CNCc2ccc(N(C)C)cc2C)c1	776174299	LWKVUBIAFHNBNU-UHFFFAOYSA-N	300.402	3.065	10	20	DGCD	
CCN(CC)CCOCCN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21	1116588336	CTMRUIDLZNSIHS-JKSUJKDBSA-N	320.477	3.197	10	20	DGCD	
C[C@@H](NCC(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1O	879648547	SWICOOPWZOVMNF-JLTOFOAXSA-N	324.424	3.310	10	20	DGCD	
COC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCCC1	772064715	NMOKXJJRLUYPJU-UHFFFAOYSA-N	304.434	3.027	10	20	DGCD	
CC[C@H](NC[C@@H](O)COCC(C)C)c1cc(Cl)ccc1O	775487814	DXJDXVGEWQRERF-HIFRSBDPSA-N	315.841	3.120	10	20	DGCD	
Cc1cccc(CN2CCN(c3cc(F)ccc3F)CC2)c1O	775695663	ALXZRKHAIKROKW-UHFFFAOYSA-N	318.367	3.301	10	20	DGCD	
COc1ccc(CN[C@@H]2CCN(C(=O)C(C)C)[C@@H](C)C2)cc1C	1044472365	URKHBPDQWSAONC-DOTOQJQBSA-N	318.461	3.129	10	20	DGCD	
COCCOc1ccccc1CN[C@H](C)c1c(O)cccc1F	886508687	KWDGXNDQSIGYDR-CYBMUJFWSA-N	319.376	3.407	10	20	DGCD	
CCN(CC)c1ccc(CNCCOC(F)(F)F)cc1F	788969803	OCQVOJIKNQPSJA-UHFFFAOYSA-N	308.319	3.298	10	20	DGCD	
C[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1c(O)cccc1F	886603111	HKHZKOXYYANVLT-MNOVXSKESA-N	312.385	3.095	10	20	DGCD	
COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]1C	787420679	KNMLHKLBSPVIPU-GZMMTYOYSA-N	318.200	3.082	10	20	DGCD	
O=C(NCc1ccccc1O)c1ncsc1-c1ccccc1	783676109	BLFWZSVKEPMISV-UHFFFAOYSA-N	310.378	3.446	10	20	DGCD	
CN(C)c1ccc(CN[C@@]2(C)CCCOC2)c(C(F)(F)F)c1	793060304	YGAWTWOERSFGEG-HNNXBMFYSA-N	316.367	3.430	10	20	DGCD	
CC[C@@H](C)[C@@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	792989112	YYZCTWVMNYGRAF-RDTXWAMCSA-N	318.461	3.305	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCn2ccnc2C1	778190022	USDLYOYZHKWBAI-NSHDSACASA-N	312.200	3.000	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(C)(C)CC(=O)OC)cc1	1319822373	DPQCVDGHGBNYEI-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1C[C@@H]2C=C[C@H]1CC2	1332538104	HBLALXUXNVPKBB-KXUCPTDWSA-N	303.749	3.417	10	20	DGCD	
CN(C(=O)c1oc(C2CC2)nc1C(F)F)c1ccc(N)cc1	1354437953	VDGDIUVRUZMSDW-UHFFFAOYSA-N	307.300	3.348	10	20	DGCD	
CC(C)[C@H]1N(C(=O)NCc2ccc(N)cc2)CC12CCCC2	1353538736	ABJMKPLLDRQZQZ-MRXNPFEDSA-N	301.434	3.379	10	20	DGCD	
O=C(O)[C@H]1CCCCCN1Cc1ccc(N2CCCC2)cc1	1608628741	DYEYZAWZAMEVNF-QGZVFWFLSA-N	302.418	3.116	10	20	DGCD	
Cc1nccn1CCCCN[C@H](C)c1ccc(N(C)C)cc1	164616168	SBEIMSPLOCYLSE-OAHLLOKOSA-N	300.450	3.389	10	20	DGCD	
Cc1ccc(-c2n[nH]cc2/C=C2/SC(S)=NC2=O)cc1	6607483	OZDBJHSJBUENRB-IZZDOVSWSA-N	301.396	3.285	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](CCC(N)=O)C2)cc1C(C)C	170728622	GZRZQQRYIJHYFE-OAHLLOKOSA-N	318.461	3.302	10	20	DGCD	
CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccccc1O	179882355	PEJFQFDLUIQDAA-UHFFFAOYSA-N	320.339	3.131	10	20	DGCD	
CC[C@@H](C)[C@](C)(O)CNC1CCN(c2ccc(OC)cc2)CC1	305138073	PECSVNLIMCZPNM-DNVCBOLYSA-N	320.477	3.051	10	20	DGCD	
C[C@@H](NC[C@H](c1ccccc1)N(C)C)c1cc(F)ccc1O	176980972	GQEFORNBWIUFFB-CXAGYDPISA-N	302.393	3.485	10	20	DGCD	
COc1ccc(N2CCCN(c3ccnc(Cl)c3)CC2)cc1	301634775	VWIKJNPCUDRRIC-UHFFFAOYSA-N	317.820	3.460	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2ccc(Cl)nc2)c1	185750818	GSKDCHHJHCTYBV-NSHDSACASA-N	306.793	3.343	10	20	DGCD	
Cc1ccc([C@H](C)NCc2nncn2-c2ccccc2)c(O)c1	185000077	DBIPTYBIEAARMQ-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@](C)(O)c2ccc(F)cc2)c1	186189662	VCUVUZQKDDLAOO-SCLBCKFNSA-N	303.377	3.398	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cc(F)c(C)cc2F)ccc1O	182476788	VVKVVCSKKZAJIM-UHFFFAOYSA-N	313.325	3.088	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1C)c1ccc(Cl)c(Cl)c1O	185142628	IEGQAVQZGAAXPF-VHSXEESVSA-N	303.233	3.444	10	20	DGCD	
CC[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O	186134827	OLDZWANXHZWIQG-WMLDXEAASA-N	310.397	3.238	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@]2(CO)CC(C)C)c1O	188038506	RTRVCERRJMTZTR-SFHVURJKSA-N	307.434	3.164	10	20	DGCD	
O=C(CSc1ccc([N+](=O)[O-])cc1F)c1ccc(O)c(O)c1	193504665	GYJFKDUCARKSDV-UHFFFAOYSA-N	323.301	3.120	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccoc1	47089352	DKJOECAUIAXVIF-UHFFFAOYSA-N	301.390	3.077	10	20	DGCD	
Oc1ccc(Br)cc1CNCCCOCC1CC1	227435299	SQTBKARBPDDPBQ-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1	237942615	PPIFSMMJTJJJRZ-GOEBONIOSA-N	316.351	3.009	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC(C)(C)CN2CCCC2)c1	276592016	AAKJWZJORPYEEL-AWEZNQCLSA-N	306.450	3.173	10	20	DGCD	
Cc1cc(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)s1	631563848	YLWZKPAFTQDBGR-UHFFFAOYSA-N	316.426	3.470	10	20	DGCD	
OC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F	809697884	QYTDQXLUGSSBAT-JQWIXIFHSA-N	323.742	3.038	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CC3(F)F)cc2)CC1	294579253	KPYQRSWVQVFYDD-OAHLLOKOSA-N	308.372	3.194	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCCc2cnn(C)c2)c1O	808689791	GGRBWTLAXMYLAZ-LBPRGKRZSA-N	307.825	3.371	10	20	DGCD	
O[C@H](CNCCCSc1nccs1)c1ccc(F)cc1	819062087	BEKXMZMFBHGTCI-CYBMUJFWSA-N	312.435	3.088	10	20	DGCD	
NC(=O)Nc1cccc(NCc2cc(Cl)c(F)cc2O)c1	816525028	BFBHXPYFIKJVNM-UHFFFAOYSA-N	309.728	3.287	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H](C(C)(C)C(=O)O)C1	901521511	CEENNHMWIMIGTI-INIZCTEOSA-N	318.461	3.384	10	20	DGCD	
Cc1cc(O)c(CN2CCC(c3ncc[nH]3)CC2)cc1Cl	824639083	GBZSVKCEOKRMBA-UHFFFAOYSA-N	305.809	3.457	10	20	DGCD	
O=C(O)C[C@@H]1CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1	905814238	FLRSPOKPWKXENH-SJORKVTESA-N	316.445	3.410	10	20	DGCD	
CC(C)CCC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	900046884	VKLPOICCGZYBMR-MRXNPFEDSA-N	305.418	3.381	10	20	DGCD	
Nc1ccc(CNC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1	837302765	FWRDYZFXTPXDPE-QUCCMNQESA-N	306.409	3.179	10	20	DGCD	
Cc1cc(O)c(CN2CC[S@](=O)[C@@H](C)[C@H]2C)cc1C(C)C	736599213	PJQSLLAWTGTZQY-YPENRWOSSA-N	309.475	3.165	10	20	DGCD	
CC[C@@]1(C(=O)O)CCCN(C/C=C\c2ccc(N(C)C)cc2)C1	904399017	WVKCXXPFXOCRED-SUOMESGTSA-N	316.445	3.343	10	20	DGCD	
COc1cc(N(C)Cc2ncc(C(C)C)o2)cc(OC)c1OC	741795722	NEGZVKUHYQGPRP-UHFFFAOYSA-N	320.389	3.460	10	20	DGCD	
CCCCCNC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C	917075358	UBYXANBYAXKNKU-UHFFFAOYSA-N	319.493	3.269	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H](C2(C)OCCO2)C1	840938355	CBTFQOZJPJKDLU-KRWDZBQOSA-N	318.461	3.036	10	20	DGCD	
CC[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccc(OC)cc1	844164388	FGDBTCUNINMIDK-GOSISDBHSA-N	312.413	3.130	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1ccnn1C1CCCC1	846478127	ZTYRJGROIRUQRU-UHFFFAOYSA-N	319.792	3.287	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCC2CC2)cc1	743687819	QTGWOOWXLXQXOJ-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
O=C(NC[C@H]1SCCc2ccccc21)c1cc(O)cs1	749543157	AUPYMPSFNFPKDW-CQSZACIVSA-N	305.424	3.214	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H](C(=O)N2CCCC2)C(C)C)c(O)c1C	756708353	BUDDKKKUHDJIFD-RDJZCZTQSA-N	318.461	3.307	10	20	DGCD	
COc1cc(CN[C@H](CO)CC(C)C)c(O)c(C(C)(C)C)c1	850072286	RHRXAQADJMAOFL-AWEZNQCLSA-N	309.450	3.195	10	20	DGCD	
Cc1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1	850404914	GEHNDSHUCOXAEV-UHFFFAOYSA-N	310.441	3.246	10	20	DGCD	
CN1CCCC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1	858245104	NDDVRXQVJQQRBP-LJQANCHMSA-N	315.505	3.498	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1	850565098	ACJHVXVBYBKRGH-BEFAXECRSA-N	302.462	3.316	10	20	DGCD	
Clc1ccc2c(n1)[C@@H](NCc1ccc3c(c1)CCO3)CC2	857903081	BTRJTRLQOPBEAT-AWEZNQCLSA-N	300.789	3.447	10	20	DGCD	
CC[C@H](CC(F)F)CN(C)c1ccc(OCC(=O)OC)cc1	851924310	NAKRCJOMAZHPOY-GFCCVEGCSA-N	315.360	3.356	10	20	DGCD	
CC(C)[C@@H]1CCCN1C(=O)NCCCSc1nccs1	759591620	YHKRKMDQWQDLOU-LBPRGKRZSA-N	313.492	3.455	10	20	DGCD	
CC(=O)Nc1cccc(CN[C@@H](C)c2cc(F)cc(F)c2O)c1	756412090	SBPJHMLLGHPVLG-JTQLQIEISA-N	320.339	3.480	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H]3C[C@@H]3C2)c1	862218958	PGQODMGNXLMISS-NVXWUHKLSA-N	322.408	3.389	10	20	DGCD	
Fc1ccc(CNC(=S)Nc2ccc3c(c2)CCC3)nc1	763168363	XEKMNHIJXIPRCM-UHFFFAOYSA-N	301.390	3.196	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@H](C)CC2(C)OCCO2)c(O)c1	866426809	DWUCGZAOONZHGV-ZFWWWQNUSA-N	307.434	3.449	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CCOC[C@H]1CCCO1	766270833	UYRJNATUVXBERR-QGZVFWFLSA-N	305.418	3.034	10	20	DGCD	
Cc1cccc(O)c1CN(C)Cc1cc(Br)cn1C	876807368	CHZJCYABIMHITB-UHFFFAOYSA-N	323.234	3.434	10	20	DGCD	
CC[C@H](NCc1ccccc1CC(=O)OC)c1ccccc1O	775416660	WCZOFVVIXXZBDY-KRWDZBQOSA-N	313.397	3.349	10	20	DGCD	
C[C@H]1[C@H](C)CCCN1Cc1ccc(N2CCC(O)CC2)cc1	876657800	RRKYMOUGSWJMOR-CVEARBPZSA-N	302.462	3.268	10	20	DGCD	
Cc1cccc(O)c1CN1CCCN(C(=O)c2ccccc2)CC1	876595744	JUSUQPSQWSHPGK-UHFFFAOYSA-N	324.424	3.049	10	20	DGCD	
CC1(C)CCC[C@@]1(O)CNCc1ccc(N2CCCC2)cc1	1117745008	DPFFNEUVAPSCTD-LJQANCHMSA-N	302.462	3.318	10	20	DGCD	
C[C@H](NC(=O)c1ccnc(Cl)c1)c1ccc(N(C)C)cc1	772998892	KWVWJEOHZUKABM-NSHDSACASA-N	303.793	3.292	10	20	DGCD	
COC(=O)[C@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)[C@H]1C	787244150	MNSXTHHSNBPRRV-ZFWWWQNUSA-N	319.445	3.382	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3cc(F)ccc3[C@H]2C)c(O)c1O	780948644	UXMZCASBKMGHJD-LLVKDONJSA-N	315.344	3.305	10	20	DGCD	
CSc1ccc([C@@H](C)NC(=O)c2cccc(O)c2O)cc1	799066928	KEWMWZWYUDSYMD-SNVBAGLBSA-N	303.383	3.311	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2CO)cc1	1322613474	GPZCXLXTQIKYAO-GOSISDBHSA-N	312.413	3.081	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H]1CCN(CC(F)F)C1	1345143630	WIVWMLYJIGOMTF-FRRDWIJNSA-N	310.388	3.178	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	1348046697	INXWXHFXKINLDF-AEGPPILISA-N	303.402	3.321	10	20	DGCD	
CC[C@H](CNCc1cc(C)ccc1O)NC(=O)OC(C)(C)C	227713497	YAEGLEJFJWYGPB-CQSZACIVSA-N	308.422	3.094	10	20	DGCD	
CC(C)[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	162736395	CQNYHCPVFFHWDI-WMLDXEAASA-N	308.441	3.484	10	20	DGCD	
Cc1cc(O)c(CNc2ccc(N3CCCC3=O)cn2)cc1C	158959749	PPIBESCLDZEYKR-UHFFFAOYSA-N	311.385	3.143	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@](C)(O)C1	152504899	XDSSYXKOXLDYMB-KRWDZBQOSA-N	318.442	3.143	10	20	DGCD	
COc1cc(F)c(NC(=O)N(C)Cc2ccccc2O)cc1F	155629261	ARVQNIDEMRVHIA-UHFFFAOYSA-N	322.311	3.343	10	20	DGCD	
CC[C@H](N[C@H](C)COC)c1cc(Br)ccc1O	19904828	QMQMBBCPZUBVPU-SKDRFNHKSA-N	302.212	3.230	10	20	DGCD	
Cc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)nc1	119731422	SWXHQRHQWSNVTO-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
C[C@H](NC[C@H]1CCCS1)c1ccc(N2CCOCC2)c(F)c1	118945795	FTKBJADWNKZXIL-DZGCQCFKSA-N	324.465	3.209	10	20	DGCD	
CCOc1cccc(CNC[C@H](O)c2ccc(Cl)cc2)c1O	60358323	MAFSQGCTRBRJPD-HNNXBMFYSA-N	321.804	3.268	10	20	DGCD	
COC[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	177284963	JYVSDZRJAIAITL-GFCCVEGCSA-N	311.809	3.107	10	20	DGCD	
CCC(CC)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	68549068	SMSKQIAOFKYQQL-CQSZACIVSA-N	319.449	3.072	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(N3CCCC3)cc2)C1	178194513	BJCYHLKVKVCCON-HZPDHXFCSA-N	316.445	3.170	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1	112231537	QXXIZPXKEMQRRW-BQYQJAHWSA-N	303.343	3.036	10	20	DGCD	
CC[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1	126059528	SAOYEQVDTKLEGC-ROUUACIJSA-N	311.429	3.020	10	20	DGCD	
CC[C@@H](C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	189695713	IWVCVXZERXKJRC-ZBFHGGJFSA-N	305.418	3.336	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H](C)C3)CC2)cc1	129586818	PLPZOURDMXRLLM-HOTGVXAUSA-N	316.445	3.170	10	20	DGCD	
C[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(F)cc1O	186230427	PPHNPOOGVAFVOZ-GXTWGEPZSA-N	309.381	3.258	10	20	DGCD	
COc1ccc(O)c(CNC2CCN(c3ccccc3)CC2)c1	89726419	AHSXVOSUHKXRFW-UHFFFAOYSA-N	312.413	3.159	10	20	DGCD	
Cc1ccc(O)c(CN2CCOC[C@H]2c2nc(C)cs2)c1	190413406	UOAJKQBLLQVYEX-AWEZNQCLSA-N	304.415	3.039	10	20	DGCD	
Cc1c(CNC(=O)N(C)[C@@H]2CCSC2)n(C)c2ccccc12	350079994	NVWNXBDRSWLGKY-CYBMUJFWSA-N	317.458	3.134	10	20	DGCD	
C[C@H](N[C@@H](C)c1nncn1C)c1cc(Cl)c(Cl)cc1O	278664989	IXRGPURGAWVBAL-YUMQZZPRSA-N	315.204	3.239	10	20	DGCD	
CCCCN(CC(F)(F)F)C(=O)/C=C/c1ccc(O)c(O)c1	272478673	QIYHYPNAHHSNHP-FNORWQNLSA-N	317.307	3.302	10	20	DGCD	
C[C@H]1[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2O)CC[S@]1=O	271178503	GVASOJDBZQWYPQ-BLBZPCKPSA-N	322.257	3.040	10	20	DGCD	
CC(C)(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	279951293	CYGPGAASKVIZPV-RCQQVGEISA-N	303.402	3.396	10	20	DGCD	
CN(Cc1cc(F)ccc1O)C[C@H]1OCCc2ccccc21	272230410	DPWQEAOTXNQYKR-GOSISDBHSA-N	301.361	3.277	10	20	DGCD	
CC[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O	286002652	HPUCNSFUTCHBLS-WBVHZDCISA-N	321.367	3.315	10	20	DGCD	
CC(C)=CCOC(=O)c1csc(Cc2ccc(N)cc2)n1	808536975	ZTDIYLLLRVXOSJ-UHFFFAOYSA-N	302.399	3.439	10	20	DGCD	
CCc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C	800742410	LNDSMERFIGMEOJ-UHFFFAOYSA-N	313.449	3.004	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CCc3n[nH]cc3C2)c1O	808706792	VANTYJJLFCCCMI-GXFFZTMASA-N	305.809	3.285	10	20	DGCD	
CC(C)CC(C)(C)CN1C(=O)CN(Cc2ccccc2O)C1=O	819169641	AOGATDNILSQGQG-UHFFFAOYSA-N	318.417	3.229	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CCC(C)(C)CC3)ccc21	727032617	LTIBOGIXRGNRBE-UHFFFAOYSA-N	315.461	3.401	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1CCOCc2ccccc21	492763174	NTRIWPRUSFHNJA-VOTSOKGWSA-N	300.383	3.028	10	20	DGCD	
Cc1cc(CN2CCc3c[nH]nc3C2)ccc1N1CCCCC1	828461338	SWVXAJWWQNBACQ-UHFFFAOYSA-N	310.445	3.267	10	20	DGCD	
CC[C@H](C[C@@H](C)CO)NCc1ccc(Br)cc1O	825316754	ZQAPNCROBKURKM-ZWNOBZJWSA-N	316.239	3.041	10	20	DGCD	
Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](C)c1ccccc1O)C2	827937568	ZKGMZCQWAOOJMW-ACJLOTCBSA-N	311.381	3.190	10	20	DGCD	
Cc1cc(CN[C@H](C)[C@@H]2CCOC2)ccc1N1CCCCC1	828846625	MCLSRYKJBRBYRV-SJLPKXTDSA-N	302.462	3.500	10	20	DGCD	
Fc1cc(CNCC2=CCCCC2)ccc1N1CCOCC1	824537616	FWBOFNHLHUYVFR-UHFFFAOYSA-N	304.409	3.252	10	20	DGCD	
C[C@@H](OC(=O)c1cc(O)cs1)c1nc(O)c2ccccc2n1	731909221	DAMILFQWBCQHKQ-MRVPVSSYSA-N	316.338	3.021	10	20	DGCD	
O=C(OCCCOCCc1ccccc1)c1cc(O)cs1	732353057	LDEPBSGXRVPYPG-UHFFFAOYSA-N	306.383	3.260	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nc1	839920849	VCHAZGWFMBPPGF-HNNXBMFYSA-N	311.429	3.125	10	20	DGCD	
Oc1ccccc1CN(Cc1cn(C2CC2)nn1)Cc1ccco1	906277558	VFAZKUYBMDPOCR-UHFFFAOYSA-N	324.384	3.114	10	20	DGCD	
C[C@@H]1CCC[C@@H](OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	732954386	ZGNFMOCXTHNICV-CRAIPNDOSA-N	318.461	3.306	10	20	DGCD	
C[C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1	735518714	JYORHUILQFLXKV-PBHICJAKSA-N	317.429	3.336	10	20	DGCD	
Cc1cncc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1	742589663	SCJFLFPHWHCRQT-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
CC(C)(CCN1CCCCCC1)NC(=O)c1cc(O)cs1	846654950	LRCPJOAEKVACKI-UHFFFAOYSA-N	310.463	3.228	10	20	DGCD	
C[C@H](c1ccccc1)N1CC[C@@H](NCCc2ccc(N)cc2)C1	841035406	NJLRZCJROLLYIZ-OXQOHEQNSA-N	309.457	3.236	10	20	DGCD	
C[C@@H](NCc1nn(C)cc1Cl)c1ccc(Cl)cc1O	841757974	QMGGDYOOSKJHMX-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCCc2ccc(N)cc2)o1	841718998	YEEYSFMLSPMLRS-MLGOLLRUSA-N	313.401	3.027	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cccc(Cl)c2)cc1	841041454	CJCMKASRNBTLOE-QGZVFWFLSA-N	303.837	3.196	10	20	DGCD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cc(Cl)ccc1O	846477919	XOMGRBVLAQYOTB-VIFPVBQESA-N	321.808	3.196	10	20	DGCD	
CC(C)[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H](O)c1ccccc1	841297554	SWHUWXCHXDGACP-IRXDYDNUSA-N	313.401	3.149	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1	841301774	YMOHDFFYVMIJBQ-ZIAGYGMSSA-N	318.465	3.147	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCCC(=O)O	848446394	OMETYDPPAWIXIH-UHFFFAOYSA-N	320.433	3.135	10	20	DGCD	
COCc1c(C(=O)NCc2ccccc2O)oc2ccccc12	748354892	OWHAAIQACWFDEN-UHFFFAOYSA-N	311.337	3.215	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N=S(C)(C)=O)c2C)c1	913646581	DMDBRPFVDMSHSP-UHFFFAOYSA-N	304.415	3.270	10	20	DGCD	
COC(=O)COC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	917329282	FSIZYLPOSWGGAH-UHFFFAOYSA-N	321.760	3.077	10	20	DGCD	
COC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccc(C)o1	846145582	LSIDBYYFJDMXRN-GXTWGEPZSA-N	305.374	3.341	10	20	DGCD	
Oc1ccc2oc3c(c2c1CN1CCO[C@@H](CF)C1)CCCC3	840172187	NEBCRIKAAPXWST-LBPRGKRZSA-N	319.376	3.188	10	20	DGCD	
CC[C@@H](C)N(C)CCNCc1ccc(N(CC)CC)c(F)c1	740004895	YNVUPHSDHUINFS-OAHLLOKOSA-N	309.473	3.492	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](O)CCc2ccccc2)c1O	846161986	DOTKTIBTDPLGGI-GDBMZVCRSA-N	315.413	3.045	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ncc(C(C)C)o2)cc1	844400446	BSKHKYBZGJYDFQ-UHFFFAOYSA-N	317.433	3.375	10	20	DGCD	
CC(C)(C)[C@H](CNCc1c(O)ccc(Cl)c1F)CC(=O)O	756313099	TXGFGRWDRINRRU-VIFPVBQESA-N	317.788	3.411	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1CO	857061025	IDFUGAVWSRJIDI-AEFFLSMTSA-N	302.462	3.127	10	20	DGCD	
CSC1CC(NCc2ccc(N3CCSCC3)cc2)C1	924708852	SFHZQTZBUHHFAE-UHFFFAOYSA-N	308.516	3.223	10	20	DGCD	
CCC(CC)n1nc(C(=O)NCc2cc(C)ccc2O)cc1C	862757102	HPPFYXFCTPUTKU-UHFFFAOYSA-N	315.417	3.497	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CC(F)(F)F	766656905	HFXFFHLXUYSXPF-LLVKDONJSA-N	317.355	3.201	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N(CCc1ccccc1)C1CC1	779507284	YKMHEYIYIIHSFB-XFFZJAGNSA-N	323.392	3.345	10	20	DGCD	
C[C@@H](NC(=O)NCc1cccc(F)c1)c1ccc(N(C)C)cc1	773188777	OPGFJAQVUQSAQG-CYBMUJFWSA-N	315.392	3.452	10	20	DGCD	
Cc1ccc(C(C)(C)CNCc2cc(F)cc(F)c2O)nc1	883189062	XLOGNWXNZOFSLJ-UHFFFAOYSA-N	306.356	3.441	10	20	DGCD	
C[C@@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F	886558620	OSOWFXOSGXAFOA-LLVKDONJSA-N	324.396	3.049	10	20	DGCD	
CC[C@@H]1C[C@H](CC(=O)N[C@H](C)c2cc(OC)ccc2O)CCO1	782016189	YYENGCXVCGAFEH-MGPQQGTHSA-N	321.417	3.173	10	20	DGCD	
C[C@@H](NCCN1CC=CCC1)c1cccc(C(F)(F)F)c1O	788803829	HNYOMAINJFQCTI-GFCCVEGCSA-N	314.351	3.324	10	20	DGCD	
CC[C@@H](NCc1ccc(OC)c(OC)c1O)c1c(C)noc1C	893239200	QWCAOEKPYHDGDU-CYBMUJFWSA-N	320.389	3.255	10	20	DGCD	
CN(Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)OCO2	788486489	YFXYTFOVFZXDQX-UHFFFAOYSA-N	304.277	3.099	10	20	DGCD	
CN(C)c1ccc(CNCC2(CO)CCC2)c(C(F)(F)F)c1	793075580	DTQPPJRNNOGAOL-UHFFFAOYSA-N	316.367	3.024	10	20	DGCD	
COc1ccc(CNCc2ncccc2C(F)(F)F)c(O)c1	793387321	DATMOQYEADMDIB-UHFFFAOYSA-N	312.291	3.104	10	20	DGCD	
O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cccc(O)c1O	790767473	LJSCYFBWTYDNJW-BXKDBHETSA-N	321.735	3.176	10	20	DGCD	
C/C=C(/C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccc(OC)c(C)c1	1134051647	NFQZXFVMARTHGU-HUTFFOLGSA-N	318.461	3.343	10	20	DGCD	
Cc1nnc([C@H](C)NCc2c(O)ccc(Cl)c2F)s1	790986245	KPENUTJAGSDZOU-LURJTMIESA-N	301.774	3.195	10	20	DGCD	
Cc1cc(C(=O)NCc2ccccc2O)c2ccc(F)cc2n1	1318119486	IJXBWTNRHLFIIS-UHFFFAOYSA-N	310.328	3.318	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN2CCC[C@@H]2C1	112017199	NYMJNZBFCOPNNC-CHWSQXEVSA-N	315.244	3.415	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@]2(C)CCCS2)c1O	228676052	MSCDJJXGLVTLIZ-AWEZNQCLSA-N	301.839	3.430	10	20	DGCD	
Oc1cc(Cl)ccc1CNc1ccc2c(c1)OCCNC2	1580887958	BREWITXSTIXCBA-UHFFFAOYSA-N	304.777	3.140	10	20	DGCD	
C[C@H]1[C@@H](NCCCSc2nccs2)CC[C@@H]1CC(=O)O	1594182711	FYKXJXHNXIJDMD-UTUOFQBUSA-N	314.476	3.104	10	20	DGCD	
O=C(O)c1cc(NCc2cc(Cl)ccc2O)ccc1[N+](=O)[O-]	1777666946	HQHBZNBWDLKOOC-UHFFFAOYSA-N	322.704	3.264	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc(/C=C\C(=O)O)cc2)SC1=S	1776874441	HYMBZLLBDSJWIU-HVTAIUIQSA-N	319.407	3.006	10	20	DGCD	
CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1	162860974	HVINVHLMRQQWPS-CWEQDWBBSA-N	322.518	3.483	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(Cl)c(F)c2)c1	158651449	JKUVLODHBNMVIM-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2cccc(F)c2)c1	157821788	OYVMKAMKKBGULV-LZGFCCKTSA-N	315.344	3.431	10	20	DGCD	
CO[C@@H]1CCN(Cc2ccc(Br)cc2O)C[C@H]1C	826062203	NBSVXSYEXWBLAF-QMTHXVAHSA-N	314.223	3.012	10	20	DGCD	
Cc1ccc(CNCc2nc(C(F)(F)F)cs2)c(O)c1	877057899	RNKCPCJAOJJISJ-UHFFFAOYSA-N	302.321	3.466	10	20	DGCD	
COc1cccc(CNC(=O)CCc2ccc(Cl)cc2)c1O	105652346	DPICQVMIDCMLHT-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
C[C@](O)(CNCc1cc(Cl)ccc1O)c1ccc(F)cc1	305718542	VHLQPTOJRTVFRO-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
CCCCC[C@@H](C)NC(=O)CN[C@H](C)c1cc(OC)ccc1O	182406327	VVDWINXUYUOJAT-ZIAGYGMSSA-N	322.449	3.136	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCc1c(F)cccc1F	123293491	CMFKKFHFODSZQR-UHFFFAOYSA-N	320.339	3.055	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@H](C)c2cc(C)ccc2O)cc1	185825897	VDUHAFWMOPUZTL-RDTXWAMCSA-N	315.413	3.484	10	20	DGCD	
Cc1cccc(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O	180067801	BAYUXPSARSMERA-HNNXBMFYSA-N	320.433	3.142	10	20	DGCD	
CCOc1ccccc1N(C)C(=O)/C=C/c1cncc(F)c1	121443157	ZRPRYAXTWYGWAF-CMDGGOBGSA-N	300.333	3.296	10	20	DGCD	
Cc1cncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	181827757	XHUUFXCZXHKAEO-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
C[C@H](NC[C@H](C)C[C@@H](C)O)c1ccc(Br)cc1O	185521886	FUYKSCBYQHIVRO-MXWKQRLJSA-N	316.239	3.212	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cccc(Cl)n1	181124000	VHXTVSLMJBXBRR-UHFFFAOYSA-N	303.793	3.200	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CNc2ccccc2Cl)cc1	198405128	JMPCPEKPZBRMSQ-UHFFFAOYSA-N	317.820	3.134	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H]2COC3(CCCC3)O2)c(O)c1C	273488134	NRBHQSBHDFAASF-LSDHHAIUSA-N	305.418	3.345	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cnc(OC)c(Cl)c2)c1	271855469	SJDTUQMXIQMVOO-SNVBAGLBSA-N	322.792	3.309	10	20	DGCD	
CC[C@H](NC1CCN(CCCOC)CC1)c1ccc(C)cc1O	280282110	YOWBVCIGUYRXBX-SFHVURJKSA-N	320.477	3.242	10	20	DGCD	
CC[C@H](N[C@@H](C)CO[C@@H]1CCOC1)c1cccc(Cl)c1O	287577883	HDPDGSGDIAVFOY-ZOWXZIJZSA-N	313.825	3.280	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(C)cc1O	280062210	KMAJECFWZULCLQ-ZOBUZTSGSA-N	318.461	3.388	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2c(C)cc(C)cc2O)[C@]12CCCO2	285394042	WVUFQYIHZVLISX-ITQYTPKQSA-N	319.445	3.386	10	20	DGCD	
CC(=O)C(=O)CSc1nc(-c2ccco2)nc2ccccc12	808017983	GLSALLRVDCHXHQ-UHFFFAOYSA-N	312.350	3.140	10	20	DGCD	
CC[C@@H](NC[C@H](O)COCC(C)C)c1cccc(Cl)c1O	806133459	NOLQMTUPXGJXKK-SWLSCSKDSA-N	315.841	3.120	10	20	DGCD	
Cc1cc2cc(CNC(=O)/C=C/c3ccc(O)c(O)c3)ccc2[nH]1	804886870	RXOVVNJLKCNEON-QPJJXVBHSA-N	322.364	3.217	10	20	DGCD	
COC[C@H](C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	812461124	HQNCZOABJGSDDG-GJZGRUSLSA-N	318.461	3.162	10	20	DGCD	
CC[C@H](NC[C@@H](N)C(C)C)c1cc(Br)ccc1O	817957364	BESQYXXRPJHMBM-OLZOCXBDSA-N	315.255	3.179	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1)c1ccc(N2CCCCCC2)cc1	817951230	CBMNVYOILCSFQR-SJLPKXTDSA-N	301.478	3.470	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1	826531970	QEGVYGRJTDYZOM-JSQNDZKTSA-N	301.434	3.301	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)c2n[nH]c(C(C)C)n2)cc1Cl	825396787	XTOJUDWWLFYQFR-SNVBAGLBSA-N	308.813	3.446	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cocn3)c2C)c1	730802784	IFFYRWZVPOGPPQ-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
CC[C@@H]1C(=O)NCCN1Cc1cc2oc3ccccc3c2cc1O	730257243	WUUZPUQYMHNEDD-OAHLLOKOSA-N	324.380	3.002	10	20	DGCD	
COc1ccccc1CC(C)(C)C(=O)NCc1ccc(N)cc1	837302980	OXABAECMSMIWQK-UHFFFAOYSA-N	312.413	3.163	10	20	DGCD	
C[C@H](NCc1ccc(CCO)cc1)c1ccc(Cl)cc1O	903402668	FMNNCKURXHDZQM-LBPRGKRZSA-N	305.805	3.431	10	20	DGCD	
Cc1cc(Cl)cc2c1N(C(=O)/C=C\c1cnn(C)c1)CCC2	735449574	IFLFCSABRVACIO-WAYWQWQTSA-N	315.804	3.375	10	20	DGCD	
O=C(NCCCSc1nccs1)NC1CC2(CCC2)C1	845047070	QQHGYRISMOGUET-UHFFFAOYSA-N	311.476	3.257	10	20	DGCD	
CCC[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H](O)c1ccccc1	841296628	GPQNGLXJBVHSAD-SJORKVTESA-N	313.401	3.293	10	20	DGCD	
O=C(O)CCCNCc1ccc2c(c1)CCN2Cc1ccccc1	840995442	MXYIKCKQYLDCIJ-UHFFFAOYSA-N	324.424	3.204	10	20	DGCD	
COc1cccc(CNC[C@H](N)c2ccc(C(C)C)cc2)c1O	841037457	QPZNKIHABKXUCK-KRWDZBQOSA-N	314.429	3.314	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(F)(F)C(F)F	749351640	GWUXMFRNJOHNIR-UHFFFAOYSA-N	320.330	3.390	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@H](C)[C@H]1C	842181598	YUCFOKIOOIPTON-GRYCIOLGSA-N	313.492	3.311	10	20	DGCD	
C[C@@H](NC[C@H]1C[C@@H](O)C1)c1ccc(N2CCCCCC2)cc1	858544946	DVPZRRKAWPBFMG-MDZRGWNJSA-N	302.462	3.489	10	20	DGCD	
CNc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1	859745508	STJPFIJXQLETJD-UHFFFAOYSA-N	324.428	3.432	10	20	DGCD	
CCN(Cc1cc(OC)ns1)c1ccc(OC)c(OC)c1	851829236	XETSSJBFWLYVJT-UHFFFAOYSA-N	308.403	3.195	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cnn(C3CCC3)c2)c1	922215672	DNZDSJARZWTEDB-LBPRGKRZSA-N	301.390	3.173	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(C3CC3)CCC2)c1	756767940	HGAORPGAMNUUPY-LBPRGKRZSA-N	303.402	3.410	10	20	DGCD	
COc1ccc(N(C)Cc2nc(O)c3ccccc3n2)cc1F	757851443	JLYNBZQEJPGEBS-UHFFFAOYSA-N	313.332	3.120	10	20	DGCD	
C[C@@H](NCCCn1cncn1)c1ccc(Cl)c(Cl)c1O	756831755	XXQMBZYXGOFLJT-SECBINFHSA-N	315.204	3.031	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCC[C@H](C)C1)c1ccc(C)cc1O	1116889981	LUYGCSIBOAHMDP-DOTOQJQBSA-N	318.461	3.390	10	20	DGCD	
CC(C)C[C@@H](CNCc1ccc(N2CCCC2)cc1)C(=O)O	1118085797	LUXDCWFXIIJMOK-INIZCTEOSA-N	304.434	3.123	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1scnc1C	776841181	IYVCUCNOXUDKTQ-BQYQJAHWSA-N	315.442	3.156	10	20	DGCD	
OC1CCN(c2ccc(CNC3(c4ccccc4)CC3)cc2)CC1	877009976	HFJSRXKCNZPFQF-UHFFFAOYSA-N	322.452	3.427	10	20	DGCD	
CC[C@H](N[C@H]1CC(=O)N(C(C)C)C1)c1cc(Cl)ccc1O	775524533	BKJSYWLGYAPUNR-JSGCOSHPSA-N	310.825	3.096	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2ccc(OC)cc2O)C12CCCC2	776224268	RQRHYIKPLUYCCL-SJORKVTESA-N	305.418	3.228	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(C)C1)c1ccc(Cl)c(Cl)c1O	775498450	KFJRHAHIUBKLOO-JOYOIKCWSA-N	303.233	3.444	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccoc2C(=O)OC)cc1	776023462	MVOVYTIYPLCGRY-UHFFFAOYSA-N	316.401	3.202	10	20	DGCD	
Cc1cc(C)cc(C[C@@H](C)NC(=O)NCc2ccc(N)cc2)c1	1120519717	OHLTZARJSDROLD-OAHLLOKOSA-N	311.429	3.316	10	20	DGCD	
C[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)CC(C)(C)C	783063930	VZOAIOLOATWQGO-LLVKDONJSA-N	308.374	3.286	10	20	DGCD	
COc1ccc(F)c(NCc2ccc(OC)c(OC)c2O)c1	892303667	MTSMKOQZRCSGSV-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
CC[C@@H](NCc1ncccn1)c1cc(Br)ccc1O	702331301	SYLHOXOPTBWGLW-GFCCVEGCSA-N	322.206	3.186	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)c2c(F)cncc2F)c1O	894756959	OPFIGAOXACROHJ-SNVBAGLBSA-N	308.328	3.233	10	20	DGCD	
CC(C)(C(=O)NCc1cccc(Br)c1O)C(F)F	792484361	MYRSIXCCMZIVHA-UHFFFAOYSA-N	322.149	3.062	10	20	DGCD	
CC[C@H](NC[C@@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1O	794791926	CQBMMUKKBFGFRA-AEFFLSMTSA-N	320.477	3.098	10	20	DGCD	
O=C(O)[C@@H](CC1CCCCC1)NCc1ccc(F)c(F)c1O	1601645863	IBRHNTNVNCPDOF-CYBMUJFWSA-N	313.344	3.184	10	20	DGCD	
CCCOc1ccc(CNCc2cc(C(=O)O)ccn2)cc1C	1776821785	HMYRPZMJBUAKNQ-UHFFFAOYSA-N	314.385	3.167	10	20	DGCD	
CN(CC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(OCC(=O)O)cc1	1777055909	MMVRMUGECWPDTE-SOUVJXGZSA-N	303.402	3.413	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[C@H]1C	163409941	DQSUJOTXLUUEPD-VXGBXAGGSA-N	313.492	3.313	10	20	DGCD	
COc1cccc(O)c1CNC1CC(OCc2ccccc2)C1	766103095	IGVWLRBSFLOUJZ-UHFFFAOYSA-N	313.397	3.238	10	20	DGCD	
CCc1nc(CN(C)Cc2ccc(N3CCCCC3)cc2)no1	54316049	BEDYECFHEXINBZ-UHFFFAOYSA-N	314.433	3.254	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)CC(F)(F)F)cc2)CC1	108296285	AWWDXJZNYULHRG-UHFFFAOYSA-N	314.351	3.492	10	20	DGCD	
COc1ccc(N(Cc2cccc(C(N)=O)c2)C(C)C)cc1F	101567454	UOLRUOWNMDUPNF-UHFFFAOYSA-N	316.376	3.348	10	20	DGCD	
Cc1ccc(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1	173191512	ZVKRTCNLEJWEAB-UHFFFAOYSA-N	310.397	3.409	10	20	DGCD	
FC(F)(F)c1ccc(NCc2ccc(N3CC=CC3)cc2)nn1	301956634	FREHCBJKYHANKG-UHFFFAOYSA-N	320.318	3.484	10	20	DGCD	
C[C@H](CCC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	122107033	NHRJPRIJVZYWJS-CQSZACIVSA-N	313.397	3.340	10	20	DGCD	
Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2F)c(O)c1O	181863487	XNDVDWYPYIHANE-NSHDSACASA-N	303.333	3.379	10	20	DGCD	
CCOc1cccc(CNCC2(O)CCC(C)(C)CC2)c1O	316415641	ZRJYDAHNPHWMMQ-UHFFFAOYSA-N	307.434	3.212	10	20	DGCD	
CCOc1ccc(C(=O)NCCCSc2nccs2)cc1	78713329	XZSONJGZSZMHRZ-UHFFFAOYSA-N	322.455	3.454	10	20	DGCD	
CCOC(=O)C1(N(C)Cc2cc(OC)ccc2O)CCCCC1	180487322	QMINGAIHTOWYNH-UHFFFAOYSA-N	321.417	3.099	10	20	DGCD	
OCC[C@@H]1CCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	189989436	AZHJXBQJOWWIFO-HKUYNNGSSA-N	302.462	3.318	10	20	DGCD	
Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)c1	190919124	QIOVKHWMLIMYTD-NSHDSACASA-N	318.348	3.298	10	20	DGCD	
COc1ccc(O)c(CNCCCN(C)C2CCCCC2)c1	237204062	WCISTXYNCSPYEG-UHFFFAOYSA-N	306.450	3.145	10	20	DGCD	
COc1ccc(N2CCCN(Cc3ccc(C)o3)CC2)cc1	92380672	MEFAJAAWPGULHS-UHFFFAOYSA-N	300.402	3.309	10	20	DGCD	
COC[C@H](N[C@H](C)c1ccc2ccccc2c1O)[C@H]1CCCO1	278955714	ZTNVHKBYKCJZMY-JEBQAFNWSA-N	315.413	3.390	10	20	DGCD	
CCCC[C@H](NCc1ccc(OC)c(COCC)c1)C(=O)OC	274847600	AMFVJXNKPOBFPG-INIZCTEOSA-N	323.433	3.053	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)c1cccc(F)c1)c1cc(F)ccc1O	273533265	WUXVQHMWWYFPGO-DINDLPBHSA-N	307.340	3.443	10	20	DGCD	
C[C@H](N[C@H]1CCOC2(CCCC2)C1)c1cc([N+](=O)[O-])ccc1O	273350585	BOHQBWAOQDEKAF-STQMWFEESA-N	320.389	3.443	10	20	DGCD	
CC(C)(C)n1ncnc1COc1ccc(N2CCCC2)cc1	282304816	RUWQRDWKPADXTR-UHFFFAOYSA-N	300.406	3.212	10	20	DGCD	
Cc1c(CNC(=O)NC2CCSCC2)n(C)c2ccccc12	471820987	OZOQWCBFBUGGCU-UHFFFAOYSA-N	317.458	3.182	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCCc1nc3ccccc3[nH]1)CC2	296161354	XHYOWXBUHPZOQT-INIZCTEOSA-N	307.397	3.478	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4OC)cc1	809698092	VTCQPKOGIVFTNN-LERVOYGESA-N	314.473	3.388	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1cc(Br)ccc1O)C1CC1	815651477	UUPQBWOZSCTOCF-LKFCYVNXSA-N	314.223	3.230	10	20	DGCD	
CCN[C@H](C)CN[C@@H](CC)c1cc(Br)ccc1O	817972014	JFTCEYRVLNORGP-MFKMUULPSA-N	315.255	3.193	10	20	DGCD	
C[C@H](NCC(C)(C)N)c1cc(Br)cc(Cl)c1O	817960801	QMPIFFMHYGQRPQ-ZETCQYMHSA-N	321.646	3.196	10	20	DGCD	
C[C@@H](NCCc1ccc(N)cc1)c1nc2c(s1)CCCC2	817956798	DDEHDEXFCHOBAD-GFCCVEGCSA-N	301.459	3.497	10	20	DGCD	
CCc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccc1O	813455029	HCLJDJCGVXWOBF-UHFFFAOYSA-N	312.413	3.259	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1ccc2c(c1)OCO2	816528636	KYNJKPKJESIBRQ-UHFFFAOYSA-N	309.724	3.203	10	20	DGCD	
CCC[C@@H](OC)C(=O)N(Cc1ccco1)Cc1ccccc1O	825904452	AXNWWFGSUXYUGD-QGZVFWFLSA-N	317.385	3.329	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccnc(NC2CCC2)c1	901052112	HGLGKGGVCYJVCV-UHFFFAOYSA-N	311.385	3.024	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccsc1	734405746	YKGWQIYMQVOJTE-QPJJXVBHSA-N	300.427	3.452	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](SC)C2)cc1	837723933	AUAQYBVZLHBBIH-MRXNPFEDSA-N	321.490	3.180	10	20	DGCD	
COc1ccc(N(Cc2nc([C@H](C)OC)no2)CC2CC2)cc1	831588035	RTJMZSAVHDJYII-LBPRGKRZSA-N	317.389	3.202	10	20	DGCD	
CC[C@@H](N[C@H]1CCCN(CC)C1=O)c1cc(Cl)ccc1O	903389742	WMAUISKEPUMMON-KGLIPLIRSA-N	310.825	3.097	10	20	DGCD	
CC[C@H](NC(=O)c1sccc1-n1c(C)ccc1C)[C@H](C)O	836860831	NMLKUPLNQSSAOT-STQMWFEESA-N	306.431	3.045	10	20	DGCD	
CN(C)[C@@H](CN[C@H]1CCc2cccc(O)c21)Cc1ccccc1	834487367	BZKVDKZCWQZLLX-MSOLQXFVSA-N	310.441	3.142	10	20	DGCD	
CC(=O)Nc1ccc(NC(=S)NNc2ccccc2F)cc1	915121492	WGFBNLBXYVFZBI-UHFFFAOYSA-N	318.377	3.098	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21	831925183	SKSBKYLXADFCDO-TXPWEPMLSA-N	317.429	3.361	10	20	DGCD	
Cc1cc(CN2CCC[C@H]2C(=O)O)ccc1N1CCCCC1	846228835	QMQQKOVAFHVCHP-KRWDZBQOSA-N	302.418	3.034	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)[C@@H]1CCCOC1	840892668	BWXKOLOGXKHLFU-XYJFISCASA-N	304.478	3.397	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1F	746798332	UPIVLLTZBCETNS-AEGPPILISA-N	304.409	3.334	10	20	DGCD	
CCc1cccc(CN(C)Cc2ccc3c(c2)OCCO3)c1O	848879744	AZNJYCIHKLANAE-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
OC1CCN(c2ccc(CNc3cc(Cl)ccn3)cc2)CC1	922190080	FGSRWFMZDKITEH-UHFFFAOYSA-N	317.820	3.308	10	20	DGCD	
Cc1cc(O)nc(CSc2ncc(-c3ccccc3)n2C)n1	754450910	NQGMPQDHVLCKPL-UHFFFAOYSA-N	312.398	3.183	10	20	DGCD	
C[C@H]1CC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	1119326441	NTZAWWRLXUAAMT-FZMZJTMJSA-N	315.442	3.235	10	20	DGCD	
CC(=O)Nc1ccc2c(c1)CN(Cc1cc(F)ccc1O)CC2	877817107	QHWVFOUSZCULPS-UHFFFAOYSA-N	314.360	3.048	10	20	DGCD	
C[C@H](O)c1ccc(CNC(=O)N[C@H](C)c2ccccc2O)cc1	875187701	OPBMZJWBJIVMJA-OLZOCXBDSA-N	314.385	3.006	10	20	DGCD	
C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	776474969	JZALLIBCZKQDHF-INMHGKMJSA-N	317.429	3.336	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)NCC1CCCCC1	879648794	DXALRWGLFGHWFD-ZIAGYGMSSA-N	304.434	3.128	10	20	DGCD	
CCc1nn(C)c(CC)c1CNCc1cc(Cl)ccc1O	776252367	SDHGGFZVZBDIRY-UHFFFAOYSA-N	307.825	3.194	10	20	DGCD	
C[C@H](C[C@H](O)c1ccccc1)NCc1cc(F)cc(F)c1O	883079489	VTHGHLNFPXBRJP-BZNIZROVSA-N	307.340	3.272	10	20	DGCD	
CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1cc(F)ccc1OC	1122258148	MMAGIYIZDJLYAR-MRXNPFEDSA-N	316.376	3.227	10	20	DGCD	
COc1cc(N2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC	780638322	AHMGRAZTOKYSND-GFCCVEGCSA-N	308.378	3.484	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCOC[C@@H]1c1ccc(F)cc1	894915625	VFDGSMOSVGNFRC-MRXNPFEDSA-N	323.314	3.383	10	20	DGCD	
C[C@@H]1CC[C@@H](NCc2ccccc2O)CN1C(=O)OC(C)(C)C	399181849	LWKFJBOEJGBVLO-UKRRQHHQSA-N	320.433	3.270	10	20	DGCD	
CCOCCC1(C(=O)NCc2ccc(OC)cc2O)CCCC1	794381089	KOWBPDQIVIIDNL-UHFFFAOYSA-N	321.417	3.004	10	20	DGCD	
CCOC(=O)/C(=C/c1ccc2c(c1)CCN2C)c1ncccc1C	794955378	XKUVICRSRPZGJA-GHRIWEEISA-N	322.408	3.486	10	20	DGCD	
Cc1noc([C@H]2CCCN2Cc2ccc(N3CCCC3)cc2)n1	1261176810	DNYLYAQUTCCCII-QGZVFWFLSA-N	312.417	3.315	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NC[C@H]1CC[C@H](C(N)=O)CC1	1261390023	YRJKTGDMIAAUEP-ZQDZILKHSA-N	316.445	3.130	10	20	DGCD	
Cc1cncc(/C=C/C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)c1	1594432632	RWGSRWQSEWWNIA-FYCOFBDGSA-N	322.364	3.008	10	20	DGCD	
CCc1cccc(CN[C@H](C(=O)O)c2ccc(F)c(C)c2)c1O	1597586793	KKJNXGLHXFLYQK-INIZCTEOSA-N	317.360	3.318	10	20	DGCD	
CC[C@H](C)[C@H](NCc1ccc2c(c1)CCCN2CC)C(=O)O	1776690157	FIQXVHQRTQIMQQ-GUYCJALGSA-N	304.434	3.048	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1cccs1)c1ccc(N(C)C)cc1	156919213	WGALZBIZFYVCBS-SUMWQHHRSA-N	304.459	3.372	10	20	DGCD	
Oc1c(Cl)cccc1CNCCOC1CCSCC1	898439326	JDYWCSBJQICUKI-UHFFFAOYSA-N	301.839	3.047	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccn(C)n1	54131828	NDWNEGFTWFFBBW-UHFFFAOYSA-N	300.387	3.141	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(F)c1F	173199884	XHRGLAKWQVLBSH-UHFFFAOYSA-N	318.323	3.070	10	20	DGCD	
CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)C(C)C	171109646	PMBXHRZHEHGSKF-UHFFFAOYSA-N	321.490	3.180	10	20	DGCD	
c1c[nH]c([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1	127392928	YZKPCTNNPPPMLG-IBGZPJMESA-N	311.429	3.188	10	20	DGCD	
CC(=O)Nc1ccc(CCN[C@@H](C)c2cc(F)ccc2O)cc1	185338429	KEBWMMUTYWYGON-LBPRGKRZSA-N	316.376	3.383	10	20	DGCD	
CCOCCCN[C@@H](C)c1cc(Br)ccc1O	184830413	YUQFRQFHWJHDCN-JTQLQIEISA-N	302.212	3.232	10	20	DGCD	
CC[C@@H](CCO)CN[C@@H](C)c1ccc(Br)cc1O	185677420	NGJMYEGKWWYIHS-QWRGUYRKSA-N	316.239	3.214	10	20	DGCD	
C[C@H](NCC1(CO)CCCC1)c1cc2c(cc1O)CCCC2	186481909	PJVKAWVGTNRBFU-AWEZNQCLSA-N	303.446	3.474	10	20	DGCD	
CCOc1cccc(CN(C)CC2(O)CCCCCC2)c1O	190140261	JASHLTNCNIOJRW-UHFFFAOYSA-N	307.434	3.308	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1	237588478	KRDSONPKZAVAJQ-AWEZNQCLSA-N	312.413	3.375	10	20	DGCD	
CN(Cc1nccs1)Cc1cccc(Br)c1O	93582510	FFINMRDBRYBOEX-UHFFFAOYSA-N	313.220	3.243	10	20	DGCD	
COc1cccc(CNc2cnn(Cc3ccccc3)c2)c1O	237437339	JTOZPZLYOJSILQ-UHFFFAOYSA-N	309.369	3.258	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1	237946913	PPIFSMMJTJJJRZ-HOCLYGCPSA-N	316.351	3.009	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCn2nccc21	367509006	XQIFFUBQYZAZHB-UHFFFAOYSA-N	312.398	3.013	10	20	DGCD	
O=C(c1ccc(O)cc1)C1CCN(Cc2ccccc2O)CC1	376150056	KKOUIUOFFOPTQM-UHFFFAOYSA-N	311.381	3.193	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1-n1ccnn1	285597881	JPVRZECBQBTAKU-OAHLLOKOSA-N	321.428	3.184	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)OCC(=O)C(F)F)c2C)c1	800087896	KRTZUGPTYGMNFN-UHFFFAOYSA-N	321.323	3.394	10	20	DGCD	
CN(C)c1cccnc1CNC(=S)Nc1ccc(Cl)cc1	811709580	BKJRPVNCUFFHBT-UHFFFAOYSA-N	320.849	3.288	10	20	DGCD	
CC[C@H](NC[C@@H](N)C(C)C)c1ccc(C(F)(F)F)cc1O	817957526	CNMDXVMRPLRFFN-OLZOCXBDSA-N	304.356	3.435	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@H]2CCOC3(CCOCC3)C2)c(O)c1	815596950	JCGYPUCXAOIINA-CVEARBPZSA-N	319.445	3.388	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](C)COc2ccccc2)c1	725849292	JXNDPJRMSOEEPD-CQSZACIVSA-N	301.386	3.348	10	20	DGCD	
CC[C@](C)(CC(=O)O)NCc1ccc(N2CCCCC2)cc1	828664611	CXKRBZZBNWSICC-GOSISDBHSA-N	304.434	3.410	10	20	DGCD	
CC[C@H](N[C@@H]1CCCN(CC)C1=O)c1cc(Cl)ccc1O	903389743	WMAUISKEPUMMON-UONOGXRCSA-N	310.825	3.097	10	20	DGCD	
COc1ccc(N(Cc2cn(C3CC3)nn2)CC(C)C)cc1	906278514	ZYQFCAHZADKARE-UHFFFAOYSA-N	300.406	3.284	10	20	DGCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)[C@@H](O)c1cccc(F)c1	834676468	UXZFJPWUQALSPV-BKGUAONASA-N	301.361	3.230	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1=CCCCC1	836518802	CSRMTTAXFBMNHW-UHFFFAOYSA-N	301.434	3.394	10	20	DGCD	
CN(C)c1ccc(CN(C(=S)NC(C)(C)C)C2CC2)cc1	917594984	SJNOULBFIDVNSE-UHFFFAOYSA-N	305.491	3.390	10	20	DGCD	
Cc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n[nH]1	917958856	ZVSVBSPQCXNWHU-UHFFFAOYSA-N	322.412	3.098	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCO[C@H](c3ccnn3C)C2)c(O)c1	834899393	PRFQABIWEDXVNR-DEYYWGMASA-N	315.417	3.005	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc(Cl)c([N+](=O)[O-])c1	748438367	JQXCCBWLLOQYEW-UHFFFAOYSA-N	321.720	3.276	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](O)c2c(F)cccc2F)c1O	846154037	JDCNTVLBKJIEFM-IINYFYTJSA-N	323.339	3.063	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1c1cn(C)nc1C	840919820	OTLWDYKFCDKHCD-LJQANCHMSA-N	312.461	3.440	10	20	DGCD	
CC[C@H](C)NC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1	749768636	ZOHGXJCAPDHIEU-ZDUSSCGKSA-N	305.491	3.390	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O)CCCC2	840119976	JVMIQAZNJDEKMW-IPMKNSEASA-N	315.457	3.396	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@@H](C(=O)O)C2)cc1F	843303648	CUARJOFHXIHCTF-CABCVRRESA-N	322.424	3.405	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CO[C@H](C)C3)c2C)c1	844104407	DKGJDMDBZCHWHW-ZBFHGGJFSA-N	312.413	3.310	10	20	DGCD	
CC1CCN(C(=N)NCc2cc(Cl)cc(Cl)c2O)CC1	849078421	ZQNOJSNQOYRKOT-UHFFFAOYSA-N	316.232	3.455	10	20	DGCD	
CC(C)N1CCC[C@H](CN[C@@H](C)c2cc(F)cc(F)c2O)C1	756546346	OWFDCATVSIKMCA-QWHCGFSZSA-N	312.404	3.441	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@@H]2CCCSC2)cc1F	858163769	JMWMIGBLTKHGME-NSHDSACASA-N	300.418	3.264	10	20	DGCD	
C[C@@H](NCCOc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1O	756447401	VWQWAZQBOVVNNK-LLVKDONJSA-N	320.320	3.169	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H](C)c2ncc(C)s2)c1	858359863	JTYROXIVQZMTPF-LLVKDONJSA-N	319.430	3.068	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCc1ccco1	852680264	QENLIJFUCLAZEP-UHFFFAOYSA-N	315.417	3.086	10	20	DGCD	
CC[C@@H](C)c1nc([C@H](C)NCc2ccc3c(c2)CCCO3)n[nH]1	922053344	GJXNAAJGBVLXCE-OLZOCXBDSA-N	314.433	3.494	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCO2)[C@H](O)c1ccc(F)cc1	921747981	CASVHSIBFGGQNQ-DJJJIMSYSA-N	315.388	3.362	10	20	DGCD	
COC(=O)[C@]1(F)CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1	751941591	YCLHOVMBDYWRGR-SFHVURJKSA-N	323.408	3.085	10	20	DGCD	
CS/C=C\C(=O)NCc1ccc(N2CCC(C)CC2)cc1	751580385	SHHBKGPUALKNFD-XFXZXTDPSA-N	304.459	3.416	10	20	DGCD	
C[C@@H]1CCSCCN1Cc1c(O)cccc1Br	862343448	NVZXPYREQGTBBX-SNVBAGLBSA-N	316.264	3.482	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2C[C@@]23CCOC3)c(C)n1-c1ccccc1	863166278	WIKJDXYMJBUVRD-UYAOXDASSA-N	324.424	3.137	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCC(F)(F)C2)c1O	763523002	TYKRZECFCHYMHW-SECBINFHSA-N	306.696	3.231	10	20	DGCD	
C[C@H](NC(=O)c1c(O)cccc1F)c1ccc(N(C)C)cc1	772997673	VFZOZLVOYMWGSL-NSHDSACASA-N	302.349	3.088	10	20	DGCD	
COc1ccc(C(=O)N(C)c2ccc(N)cc2)c(OC(C)C)c1	877075546	FYQXGZGVCBWJDW-UHFFFAOYSA-N	314.385	3.341	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C(C)=O)o1	772153302	WFNZNXCPJBKIBL-UHFFFAOYSA-N	314.385	3.211	10	20	DGCD	
C[C@H](NC(=O)NCc1ccsc1)c1ccc(N(C)C)cc1	773185140	NCEBCWJWHCEEDK-LBPRGKRZSA-N	303.431	3.375	10	20	DGCD	
CCN(Cc1cc(F)ccc1O)C[C@@H]1COc2ccccc2O1	778994925	LIVORIBPCLJMIE-OAHLLOKOSA-N	317.360	3.193	10	20	DGCD	
C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)c1c(O)cccc1F	886547546	NBKJJMXDPSHKNI-XEZPLFJOSA-N	303.377	3.347	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCO[C@H](c2ccncc2)C1	883136084	ULTGOXJRTQYQMS-ZBFHGGJFSA-N	320.339	3.075	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1c(F)cccc1OC(F)(F)F	789128429	SXMNEVREDXVGBV-YWEYNIOJSA-N	323.292	3.213	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1	792778883	WMWGFNXZIWMCNT-CQSZACIVSA-N	316.367	3.382	10	20	DGCD	
CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1	793468324	LESFZCIFRRUFEN-GUYCJALGSA-N	324.440	3.349	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2CCCC(C)(C)C2)c(O)c1	793067272	NISFKBDOMRVYDD-ZDUSSCGKSA-N	306.406	3.169	10	20	DGCD	
CN(C)c1ccc(CNC[C@@]2(C)CCOC2)c(C(F)(F)F)c1	792984956	LTDKYRYUTNMVHT-OAHLLOKOSA-N	316.367	3.288	10	20	DGCD	
CCc1ccc([C@H](O)CN[C@H](C)c2ccc(F)cc2O)cc1	797020623	WEKIMLZBYKITKQ-KZULUSFZSA-N	303.377	3.478	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H]1CCN1Cc1ccccc1)CC2	716235151	AQBDXASHHYOYIV-QZTJIDSGSA-N	308.425	3.244	10	20	DGCD	
O=C(OCCSCc1ccccc1)c1cccc(O)c1O	790665499	KRWKASGKLZQAGL-UHFFFAOYSA-N	304.367	3.188	10	20	DGCD	
COCCOC[C@@H](C)NCc1ccc(N2CCC(C)CC2)cc1	1342931463	JZNFFGLJQLITLP-QGZVFWFLSA-N	320.477	3.064	10	20	DGCD	
CN(C)c1ccc(/C=C/CN[C@@H](C(=O)O)c2ccccc2)cc1	1606053868	CZJLEPFHZUZBRW-IPLHWJFFSA-N	310.397	3.181	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1cc(C(=O)O)cs1	1600236078	KAJGYRDNUSOCSR-UHFFFAOYSA-N	304.415	3.111	10	20	DGCD	
CCN(CC)c1ccc(CNc2cnc3c(c2)C[C@H](N)CC3)cc1	1577699653	PZOPZKAUQHDZKZ-QGZVFWFLSA-N	324.472	3.356	10	20	DGCD	
C[C@@H]1[C@H](NCc2ccc(N3CCCCC3)cc2)C[C@H]2CC[C@H]1N2	1576588152	QWEIWHRUVDUAFX-JQERWDHBSA-N	313.489	3.296	10	20	DGCD	
CC[C@@](NCc1cc(F)cc(F)c1O)(C(=O)O)c1ccccc1	1595299547	XPWMSZKILFRLNO-KRWDZBQOSA-N	321.323	3.150	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCOC[C@@H]2CCCO2)cc1	163477466	LTIZXBIIUSPFLT-APWZRJJASA-N	320.477	3.379	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNCC1CC(F)(F)C1	715805553	XXDYBYGLYSXSLW-UHFFFAOYSA-N	324.140	3.429	10	20	DGCD	
CN(C)S(=O)(=O)Nc1ccc(N=Nc2ccccc2)cc1	742025960	UBYODAPYNGZBJQ-UHFFFAOYSA-N	304.375	3.320	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)no1	108295884	NREBVIHNHABSME-UHFFFAOYSA-N	313.401	3.149	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@H](c2ccco2)N2CCCC2)c1	103855000	KCRGDHPHKLFOER-INIZCTEOSA-N	300.402	3.220	10	20	DGCD	
CN(Cc1cc(Cl)cc(Cl)c1O)C[C@@H]1CCC[C@H]1O	305743466	KAKGMIGYFIHDAY-TVQRCGJNSA-N	304.217	3.292	10	20	DGCD	
O=C(/C=C/c1ccc(O)cc1)NCc1c(O)ccc2c1CCCC2	127537474	SFFKOHOUGCGRGK-KPKJPENVSA-N	323.392	3.306	10	20	DGCD	
CC[C@@H]1CCCCN1C(=O)CN(C)c1ccc(OC)c(F)c1	121819064	NVECBZXRPNTCKN-CYBMUJFWSA-N	308.397	3.062	10	20	DGCD	
CN(Cc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2	121300744	UTLMBYAHAPKECS-UHFFFAOYSA-N	304.277	3.099	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)CCCC(C)C)c1O	73430100	PVPINBPZOJUJCK-CYBMUJFWSA-N	308.422	3.415	10	20	DGCD	
Cc1cc(O)c(C(C)C)cc1NC(=O)c1cccc(O)c1O	187181655	ONQYNBWCMQPUFH-UHFFFAOYSA-N	301.342	3.488	10	20	DGCD	
Cc1c(CNC(=O)c2cn(C(C)C)cn2)n(C)c2ccccc12	337166075	INBMEFOUPHSCDL-UHFFFAOYSA-N	310.401	3.194	10	20	DGCD	
CCc1cccc2c(CCNC(=O)Cc3ccc(N)cc3)c[nH]c12	237004903	USIICGJMXQDQAZ-UHFFFAOYSA-N	321.424	3.214	10	20	DGCD	
CCCOc1ccc(CNC2CCN(C3CCC3)CC2)c(O)c1	263685455	NOCMJRMYHPNNTD-UHFFFAOYSA-N	318.461	3.288	10	20	DGCD	
CO[C@H]1CCC[C@@H](C(=O)NCc2c(C)c3ccccc3n2C)C1	352078689	ALWODGLLDGIXFY-CABCVRRESA-N	314.429	3.308	10	20	DGCD	
Cc1noc(CCCN[C@H](C)c2cc3c(cc2O)CCCC3)n1	273519233	TXNGISXBTTWDPE-GFCCVEGCSA-N	315.417	3.246	10	20	DGCD	
CCN(CCO[C@H]1CCCCO1)c1ccc(OC)c(OC)c1	277690140	LFFPIQIDSCLNAN-KRWDZBQOSA-N	309.406	3.073	10	20	DGCD	
CC[C@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(F)cc1O	286136379	OSJHWHUFNLNCAK-HNNXBMFYSA-N	322.424	3.221	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccc(F)cc2O)[C@@]12CCCO2	286352182	ZFZWKTAPKCEASA-OWLYRPNTSA-N	323.408	3.299	10	20	DGCD	
CC[C@@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(F)cc1O	285820575	WKEOGOQYZCQVBN-CABCVRRESA-N	306.381	3.468	10	20	DGCD	
COc1ccccc1O[C@@H](C)CN[C@H]1CCc2cccc(O)c21	297794795	QBWDNFVCKAGABT-ZFWWWQNUSA-N	313.397	3.445	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@H]1Cc2cccc(O)c2C1	816591749	MXGSBJWFDAWWPH-NSHDSACASA-N	307.752	3.147	10	20	DGCD	
CC[C@@H](NCCc1nnc(C)s1)c1cc(Cl)ccc1O	810243564	QFUDLXZTMNJMLI-GFCCVEGCSA-N	311.838	3.489	10	20	DGCD	
C[C@H]1COC(C)(C)CN1Cc1ccc(Br)cc1O	825692032	FOKUNBFXUBHHQV-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
Cc1ccc([C@@H](O)CNCc2ccc3c(c2)CCCN3C)cc1	727644407	DEIVBBQIGBWAEV-FQEVSTJZSA-N	310.441	3.201	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNc1ccc2c(n1)CCC2	825124502	RFYXNWRYPZECRL-UHFFFAOYSA-N	309.413	3.019	10	20	DGCD	
CCN(C)c1ccc(CNC2(C(=O)N(C)C)CCCCC2)cc1	831120606	IHKWCQAEKITQDS-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cc(O)cs1	732282529	PVGKELFEIGTALO-HIFRSBDPSA-N	303.383	3.104	10	20	DGCD	
CC(C)c1cc(C(=O)NCCCSc2nccs2)on1	733973294	YUNGPEHHUVTIQC-UHFFFAOYSA-N	311.432	3.167	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H](C)Cc3cnccn3)cc2)CC1	834575971	QPEYPWICVPEWBN-KRWDZBQOSA-N	324.472	3.434	10	20	DGCD	
COc1ccc(CCCN(C)C(=O)c2cc(O)cs2)cc1	732275819	CHJIERBYURPVHR-UHFFFAOYSA-N	305.399	3.167	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H]2CCCC23CCOCC3)c1O	846168718	UNGZDLTVMRQDOV-CJNGLKHVSA-N	305.418	3.401	10	20	DGCD	
Cc1cc(CN2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c(O)c(C(C)(C)C)c1	840127452	DFLAOTGUZSTVIA-CYGHRXIMSA-N	313.441	3.383	10	20	DGCD	
Cc1cc(C(=O)NN2CCCC[C@@H]2C)c(C)n1-c1ccccn1	912154584	LHXHJHFACHTMHF-ZDUSSCGKSA-N	312.417	3.008	10	20	DGCD	
Cc1csc(CCCC(=O)NCc2cc(Cl)ccc2O)n1	846475693	FVRKZODPWPNKQB-UHFFFAOYSA-N	324.833	3.450	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)c1ccco1	741678739	XHEQFYNVPUDXDY-AWEZNQCLSA-N	300.402	3.498	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC[C@]1(C)N	843488439	ZTNCHNNXCZCEFZ-HKUYNNGSSA-N	317.477	3.009	10	20	DGCD	
CC(C)Oc1ccccc1NC(=O)NCCc1ccc(N)cc1	841043452	RLPQHOMUQJCGEM-UHFFFAOYSA-N	313.401	3.420	10	20	DGCD	
COc1cccc(CNC[C@@H](C(=O)OC(C)(C)C)C(C)C)c1O	848566351	VSRYRNFEHHESKQ-CQSZACIVSA-N	323.433	3.104	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNC[C@H]1CCC[C@@H]1C1CC1	840954199	ALNJCQMVGGCJSD-UYAOXDASSA-N	314.473	3.439	10	20	DGCD	
COc1ccccc1C(C)(C)CNC(=O)Nc1ccc(N)cc1	841301732	XSSBWHKNGVZGMB-UHFFFAOYSA-N	313.401	3.377	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2ccc(C(=O)O)cn2)cc1	846262577	RZXHSIYRQLYLCM-UHFFFAOYSA-N	300.358	3.203	10	20	DGCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)c2cc(F)ccc2CN1	841048320	XIBKDTHDARHTEQ-LLVKDONJSA-N	304.340	3.169	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2CCN(C(C)(C)C)C2=O)c2c(O)ccc(F)c21	842885795	PIFZSSQSHLQTEG-RAIGVLPGSA-N	320.408	3.069	10	20	DGCD	
C[C@H]1C[C@H](NCCCc2cnn(C)c2)c2c(O)ccc(F)c21	756525455	BTVFLBCGJDALPP-FZMZJTMJSA-N	303.381	3.036	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1ccsc1	753639782	CQNWHCLAKAHEFV-WDEREUQCSA-N	305.399	3.010	10	20	DGCD	
COc1cc(CN2CCOC(C3CC3)(C3CC3)C2)c(O)cc1C	853583005	NONMOLZUVXFULA-UHFFFAOYSA-N	317.429	3.100	10	20	DGCD	
Cc1cc(CNC(=O)C2=COCCC2)c(C)n1-c1ccccc1	863164952	GFYMSQFOXYACPR-UHFFFAOYSA-N	310.397	3.405	10	20	DGCD	
Cc1cccc(O)c1CN(C)CC(=O)Nc1c(C)cccc1C	876536604	DEJWHANOBMCPPZ-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
Cc1ccc(CNCc2cc(COC(C)(C)C)on2)c(O)c1	877425016	WSUBXNLSFRZIJU-UHFFFAOYSA-N	304.390	3.294	10	20	DGCD	
CCOc1cccc(CN(CCO)Cc2ccc(C)cc2O)c1	877576927	RIGLRJDDULXIOU-UHFFFAOYSA-N	315.413	3.094	10	20	DGCD	
CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cccc(F)c1O	778519624	JPLALLVAYOBYLQ-CQSZACIVSA-N	306.724	3.381	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCC(O)(C(F)F)CC1	777573705	CMFLFYYEFLDBCF-UHFFFAOYSA-N	307.340	3.137	10	20	DGCD	
CC[C@H](C)[C@@H](CNC[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	877598195	KMCQUPYDTRLTEO-TXPKVOOTSA-N	320.477	3.172	10	20	DGCD	
CC[C@H](NC[C@](C)(O)COC)c1ccc(Cl)c(Cl)c1O	775503122	BQGBGCUFKLIMNX-FZMZJTMJSA-N	322.232	3.137	10	20	DGCD	
OC1CCN(c2ccc(CN3CC4(CCCCC4)C3)cc2)CC1	877580319	QKUHXSNUSOYEQS-UHFFFAOYSA-N	314.473	3.414	10	20	DGCD	
COc1cccc(O)c1CN(C)Cc1cc(F)c(F)c(F)c1	777440308	ISWSODXFRUJMKA-UHFFFAOYSA-N	311.303	3.450	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC2CN(C(=O)OC(C)(C)C)C2)c(O)c1	788627826	MXRFHKSWSGANFG-ZDUSSCGKSA-N	320.433	3.279	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(F)cn2)cc1F	784657340	WKMXUGIHGRNJCP-UHFFFAOYSA-N	319.355	3.136	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccc(F)cc2C)cc1	784559089	ZVJZGLBVGQXYQN-UHFFFAOYSA-N	317.360	3.322	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ncnn2-c2ccccc2)c(O)c1	786938023	DNBASLBZGRKAOE-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
C[C@H](Cn1cccn1)N[C@H](C)c1cccc(C(F)(F)F)c1O	788646169	BKDRZJFGDLXNQG-GHMZBOCLSA-N	313.323	3.347	10	20	DGCD	
COc1ccc(CN[C@@H]2CCc3c(C)cccc32)c(O)c1OC	892919629	BNTRQAIMSAVABX-MRXNPFEDSA-N	313.397	3.495	10	20	DGCD	
CCOC(=O)[C@@H](CC)N(Cc1cc(C)c(C)cc1O)C1CC1	787438579	CMSLZGPBKNWUAJ-MRXNPFEDSA-N	305.418	3.315	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccc(F)cc1	790504575	LRYXQJMRJZDZKX-AWEZNQCLSA-N	301.317	3.214	10	20	DGCD	
CC[C@@H]1CCCCN1C(=O)CN1CCCc2cc(OC)ccc21	797725125	RJIGIALGMKUBQZ-MRXNPFEDSA-N	316.445	3.239	10	20	DGCD	
C[C@@H](C[C@H](O)c1ccco1)NCc1ccc(N2CCCC2)cc1	1319831337	VDFKPJOFJJTFEQ-YJBOKZPZSA-N	314.429	3.482	10	20	DGCD	
CC[C@@H](C)n1nccc1C(=O)NCc1ccc(N(C)C)cc1C	1527586078	JDISBHOOXPNVCT-CQSZACIVSA-N	314.433	3.159	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1CC[C@H](C(=O)O)c2ccccc21	1600604607	MPYZAGOVCDLPTJ-MOEXGYKKSA-N	322.364	3.008	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCC(=O)O	1600391865	SKRXLUXPFXLSEA-UHFFFAOYSA-N	320.414	3.140	10	20	DGCD	
CN(C)c1ccc(OCC[C@H]2CC2(Cl)Cl)cc1C(=O)O	1606058862	RDOIFSFDCLMKHU-VIFPVBQESA-N	318.200	3.414	10	20	DGCD	
O=C(O)c1cnc(SC[C@@H]2CC[C@H](C(F)(F)F)O2)s1	1602537417	SUUHLUADDSUIDV-CAHLUQPWSA-N	313.322	3.043	10	20	DGCD	
CCCC(C)(C)NC(=O)NCc1ccc(N2CC=CC2)cc1	155705387	LUCZZDOPSJZUFY-UHFFFAOYSA-N	301.434	3.441	10	20	DGCD	
C[C@@H]1CC[C@@H](C(=O)O)CN1Cc1cc(Cl)cc(Cl)c1O	397128403	XIFKUOJOSMANDN-RKDXNWHRSA-N	318.200	3.384	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCCCC2CCCC2)c1	114588139	SMPLVQPPNZZFBS-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
Cc1ccc(NC(=O)c2ccc(C)c(O)c2O)c(CN(C)C)c1	177685746	ZNHZMPZKIYTIHR-UHFFFAOYSA-N	314.385	3.029	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)CC1(O)CCCC1	176954905	CXLPYEVMLIEJMV-UHFFFAOYSA-N	302.462	3.414	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccccc1F	60678930	DXHCVNBTIOOZPL-UHFFFAOYSA-N	314.404	3.483	10	20	DGCD	
CCN(Cc1ccc2c(c1)OCO2)Cc1cc(OC)ccc1O	179604624	XNFVABWPUSXYRS-UHFFFAOYSA-N	315.369	3.152	10	20	DGCD	
COc1cccc2c1OC[C@H](N[C@H](C)c1cc(C)ccc1O)C2	185334366	VJKVZGUUPHSAMH-UKRRQHHQSA-N	313.397	3.364	10	20	DGCD	
COc1cccc(CN(C)Cc2cc(F)c(F)c(F)c2)c1O	181012682	BTEZVMULHABECL-UHFFFAOYSA-N	311.303	3.450	10	20	DGCD	
C[C@@H](NCc1ccccc1N1CCOCC1)c1ccccc1O	183459609	KNBRQQYWFQAQGM-OAHLLOKOSA-N	312.413	3.080	10	20	DGCD	
Cc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(C)o1	121315182	IVBZBASLRUPPBU-UHFFFAOYSA-N	314.429	3.365	10	20	DGCD	
COc1cccc(CNc2cccc(N3CCCC3=O)c2)c1O	74336589	IDYIUHVOAKAUST-UHFFFAOYSA-N	312.369	3.140	10	20	DGCD	
CN(C)c1ccc(CNCc2occc2Br)cc1	227364584	ZDWGHIPAOREFMD-UHFFFAOYSA-N	309.207	3.398	10	20	DGCD	
CSC1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1	195105098	FGBNQHOMRGQCLD-UHFFFAOYSA-N	321.490	3.180	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)CCOCc2ccccc2)c1	290285006	ZMMSHIBZEFRMHB-OAHLLOKOSA-N	315.413	3.486	10	20	DGCD	
CN(Cc1cc(Br)ccc1O)C[C@@H]1CCCCO1	132605087	IVLUUTUILUDKHG-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CC[C@@H](CN2CCCC2)C1	191389786	IRKKYLMLLRCUKV-LBPRGKRZSA-N	312.816	3.102	10	20	DGCD	
COc1ccc(O)c(CN[C@@H]2CCOc3c(F)cccc32)c1	89726532	FKLNZBCSFJTDGT-OAHLLOKOSA-N	303.333	3.153	10	20	DGCD	
CCCN(Cc1ncn(-c2ccccc2)n1)Cc1ccccc1O	92798416	NOSOCHMJVAACSF-UHFFFAOYSA-N	322.412	3.385	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)CCc2ccc(O)cc2)c1	237205463	YGBINVZWLLRZDG-ZDUSSCGKSA-N	301.386	3.217	10	20	DGCD	
CC[C@@H](C)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	277470772	UVGTVHDGBXMNED-MNOVXSKESA-N	324.808	3.244	10	20	DGCD	
CC[C@H](C)[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	278157887	OZRZMTVOHMZJJW-KGFZYKRKSA-N	316.188	3.047	10	20	DGCD	
CCOc1cccc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O	374159689	MFUINNOVCCRLKW-IAOVAPTHSA-N	305.418	3.084	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@@H](N3CCCC3)[C@H]2C)c1O	289915112	VHVRPNVRUQAKPW-IUODEOHRSA-N	324.852	3.113	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@@H](N3CCCC3)[C@@H]2C)c1O	289915117	VHVRPNVRUQAKPW-SWLSCSKDSA-N	324.852	3.113	10	20	DGCD	
CCCCN(Cc1cnc(N(C)C)nc1)Cc1ccccc1O	283145550	XDGRTFZYEJTKIY-UHFFFAOYSA-N	314.433	3.051	10	20	DGCD	
CCn1cc([C@H](C)NCc2cc(Br)ccc2O)cn1	294746559	CSIQLPXVAMERSQ-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
CC(=O)N1CCC(N[C@@H](C)c2cc(Cl)cc(C)c2O)CC1	808673071	WLDIEWFUUUHBAI-NSHDSACASA-N	310.825	3.016	10	20	DGCD	
COc1ccc(N(C)Cc2cnnn2-c2ccccc2)cc1F	808733923	FMSDFTDWEBWAFA-UHFFFAOYSA-N	312.348	3.051	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	815632897	AYVKFNURSSGYLG-SGMGOOAPSA-N	322.424	3.222	10	20	DGCD	
CCNCCCN[C@@H](CC)c1cc(Br)ccc1O	817943114	IRKHNAYPWYXZME-ZDUSSCGKSA-N	315.255	3.195	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)CCc3ccn(C)n3)cc12	817762940	XVMJWQDXZFCJIS-UHFFFAOYSA-N	311.385	3.067	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCO[C@@H]4C[C@@H]43)c2C)c1	816900142	INXZHQDKYXXCGD-RBUKOAKNSA-N	324.424	3.324	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1	816666481	OHZWKLQTLVFERK-HOTGVXAUSA-N	311.784	3.328	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2scnc2C)c1	588522291	JAZALMAKLDZMRS-GFVADAIESA-N	318.398	3.056	10	20	DGCD	
C/C(=C/C(=O)N1C[C@@H](C)Oc2cc(C)ccc21)c1cnccn1	826836861	LLUFZLUWRUFOLK-RNQWEJQRSA-N	309.369	3.002	10	20	DGCD	
CCOc1ccc(CN(C)[C@@H]2C[C@H](OC)C23CCC3)c(O)c1	825104180	QEQXVQFTPDDVNC-SJORKVTESA-N	305.418	3.180	10	20	DGCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)c1ccc2c(c1)CCC2	731910767	CCMPGAMZMMJFBA-SNVBAGLBSA-N	316.378	3.371	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCC3CCOCC3)sc2n1	733006724	LEKJTTPVRKIRAS-UHFFFAOYSA-N	320.414	3.079	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1ccc(F)cc1O)Cc1ccccc1	834856024	KFIHBPJMJXCOAT-XJKSGUPXSA-N	303.377	3.440	10	20	DGCD	
C[C@H]1C[C@H](C)CN(CCCNCc2ccc(N(C)C)c(F)c2)C1	733324567	KVRFSIPJAOFXPR-HOTGVXAUSA-N	321.484	3.349	10	20	DGCD	
COC1CCC(NCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	839171413	FADCJMMYXFZYMX-UHFFFAOYSA-N	314.769	3.001	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)CC[C@H](C)SC)cc1	844856593	QJNPHJVHZGDJGP-AWEZNQCLSA-N	324.490	3.122	10	20	DGCD	
C/C(=C\c1ccco1)C(=O)NCc1ccc2c(c1)CCCN2C	846842740	JHRXWYZTZYEWII-SDNWHVSQSA-N	310.397	3.382	10	20	DGCD	
CN(Cc1ccoc1)C(=O)NCc1ccc2c(c1)CCCN2C	746983042	OTFDPCNJXWETSG-UHFFFAOYSA-N	313.401	3.004	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](C)C(=O)OC(C)(C)C)c1O	848563497	SZJMYBKLIRMTAB-RYUDHWBXSA-N	309.406	3.029	10	20	DGCD	
CCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)s1	742951990	FLJCUVBESIKGCG-UHFFFAOYSA-N	316.426	3.416	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@H]1NCCc2ccccc21	841069473	XHBSSUAZJCSNPO-MRXNPFEDSA-N	320.795	3.161	10	20	DGCD	
CCOc1cccc(CNCc2ccc3c(c2)C[C@@H](C)O3)c1O	922702744	PZBLUKWLPPHDHQ-CYBMUJFWSA-N	313.397	3.404	10	20	DGCD	
CC[C@H](COC)N[C@H](C)c1cc(Br)c(F)cc1O	756596168	YGKXGFZZMXOGMQ-RKDXNWHRSA-N	320.202	3.369	10	20	DGCD	
COc1cc(F)c(CNCc2cc(C)ccc2O)cc1OC	858239388	NAGHGDVZKIONRM-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
COc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1	754668560	PWGFEASBAIFXCZ-UHFFFAOYSA-N	311.429	3.321	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(Br)cc(F)c1O)C(C)(C)O	756817366	FJYRRJKDZFFNBB-SFYZADRCSA-N	320.202	3.104	10	20	DGCD	
CCC/C(C)=C/C(=O)N1CCCN(c2ccc(OC)cc2)CC1	920222809	ZFWRXHPQDIQNIX-FOCLMDBBSA-N	316.445	3.480	10	20	DGCD	
CC(C)N(C)C(=O)c1ccccc1NC(=O)c1cc(O)cs1	855052363	MTCSNAWNTZRBTI-UHFFFAOYSA-N	318.398	3.186	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1ccc(Cl)nn1)CCC2	930723364	WVSIICQMBWUAGC-UHFFFAOYSA-N	319.792	3.100	10	20	DGCD	
COc1cc(O)c(CN2C[C@H](C)C(F)(F)[C@H](C)C2)cc1OC	862445026	ZZHDRXHDFFYINL-PHIMTYICSA-N	315.360	3.133	10	20	DGCD	
Cc1ccc(C(=O)N2CC3(CC3)C2)cc1-n1c(C)cc(C=O)c1C	861853464	FJYXNDPQEXARJR-UHFFFAOYSA-N	322.408	3.451	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(C)(C)C1	861406198	ZNNDXCXYHNTCDT-UHFFFAOYSA-N	310.397	3.389	10	20	DGCD	
C[C@@H]1CC2(CCOCC2)CN1Cc1cc(F)c(N(C)C)cc1F	862400023	KRNXQDSTUCYBDP-CYBMUJFWSA-N	324.415	3.422	10	20	DGCD	
CC[C@H](C)C(=O)N1CCC[C@@H]1CNCc1ccc(OC)c(C)c1	1034864065	SRQFCUKPTJQIGV-WMLDXEAASA-N	318.461	3.130	10	20	DGCD	
Cc1cnc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	775432626	KHGWIQXQMMSTNS-NSHDSACASA-N	304.419	3.400	10	20	DGCD	
C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	779000411	VIIZHNZFPLBWCK-JKIFEVAISA-N	306.425	3.369	10	20	DGCD	
Oc1cccc(Cl)c1CNc1cnn(Cc2ccncc2)c1	777463454	GCHHXAZXQDHFSD-UHFFFAOYSA-N	314.776	3.298	10	20	DGCD	
CCCCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccccc1	775868829	DZAOGWTYDZHTAE-ZHACJKMWSA-N	311.385	3.332	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H](CO)c1ccc(Cl)cc1	877533989	YVHRSYUZPMTMBT-CQSZACIVSA-N	305.805	3.220	10	20	DGCD	
C[C@H]1CN(Cc2c(O)cccc2Cl)CCN1CC(F)(F)F	770393487	YQFPYVWXHVVYTD-JTQLQIEISA-N	322.758	3.114	10	20	DGCD	
COC(=O)c1cc(CNCc2ccc(N(C)C)cc2C)cs1	894255627	HBAJNPDIOGDHDU-UHFFFAOYSA-N	318.442	3.199	10	20	DGCD	
CN1CCCc2cc(CNCc3ccc(O)c(F)c3)ccc21	892732775	LEORNSNZZLOGCA-UHFFFAOYSA-N	300.377	3.204	10	20	DGCD	
COc1cccc(CCNCc2cc(C)cc(OC)c2O)c1	894183774	KTYSFLJGXQRRQR-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
CC(C)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccccc1	789957542	UAYQCKOLTYUTQR-ZDUSSCGKSA-N	317.360	3.407	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1c(F)cccc1Cl	790857815	QTMPFQBFZFUTIY-MRVPVSSYSA-N	309.724	3.381	10	20	DGCD	
CC[C@H](C)n1ncc(NC(=O)NCc2ccccc2O)c1C	792477468	AXBLFWIZLJYSOI-NSHDSACASA-N	302.378	3.190	10	20	DGCD	
CCc1ccc([C@@H](O)CN[C@H](C)c2cc(F)ccc2O)cc1	797020637	WMFNZMQCOSMQSU-XIKOKIGWSA-N	303.377	3.478	10	20	DGCD	
C[C@@H](Cc1ccccn1)NCc1cc(Br)ccc1O	694082130	OKORWBMUFQJZBU-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
CCC[C@](C)(NCc1ccc(N2CCCC2)cc1)C(=O)OC	1320227943	ILFZXGPPJNRDBZ-SFHVURJKSA-N	304.434	3.108	10	20	DGCD	
Cc1ccc([C@H](C)NCCC(=O)N2CCC[C@@H](C)C2)c(O)c1C	1320132235	IYIXZYATUNYZMZ-CJNGLKHVSA-N	318.461	3.308	10	20	DGCD	
CC[C@H](C)C(=O)NCC[C@H](C)NCc1ccc(OC)c(C)c1	1266127405	GCGJJUDXZDPCKY-ZFWWWQNUSA-N	306.450	3.034	10	20	DGCD	
C[C@H](NC[C@@H](C)N1CCCC[C@@H]1C)c1cc(C(=O)O)ccc1O	1604331809	GSHIPBVKXDIYGF-MJBXVCDLSA-N	320.433	3.004	10	20	DGCD	
Cc1cccc(CN(C)[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1O	1592230120	LYVZEULRRYLRGJ-CYBMUJFWSA-N	323.400	3.074	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)C(C)(C)CC)c(C)c1	1776856087	LCTKDFCOPXSTBP-INIZCTEOSA-N	306.450	3.430	10	20	DGCD	
CCN(C)c1ccc(CN[C@H]2CC[C@@](C)(C(=O)O)C2)c(C)c1	1776856930	WTWAIMRIHHJSNF-MAUKXSAKSA-N	304.434	3.184	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CC[C@@](F)(C(=O)O)C2)cc1C	1776821556	IKMRIVLPEARNIV-PBHICJAKSA-N	309.381	3.219	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C)CCC[C@@H]2C(=O)O)cc1F	1776861306	SFJYIQSLEXTPAL-RDTXWAMCSA-N	322.424	3.405	10	20	DGCD	
Nc1ccc(CCNC(=O)c2ccccc2OCC2CC2)cc1	152540977	FDDNKICOKLSZKD-UHFFFAOYSA-N	310.397	3.030	10	20	DGCD	
CC1CCC(NC(=O)COc2ccc(N3CCCC3)cc2)CC1	178194026	HGPMGDNBLNTJKN-UHFFFAOYSA-N	316.445	3.361	10	20	DGCD	
COc1cccc(CCC(=O)NCc2ccc(N(C)C)cc2)c1	23423951	KYDVFDFDVJNVSK-UHFFFAOYSA-N	312.413	3.010	10	20	DGCD	
CC[C@@H](C)CN(C)C(=O)NCc1ccc2c(c1)CCCN2C	111845464	TUIVXACCGMZCHS-CQSZACIVSA-N	303.450	3.257	10	20	DGCD	
CC[C@H](C)[C@](C)(O)CNC1CCN(c2ccc(OC)cc2)CC1	305138074	PECSVNLIMCZPNM-HNAYVOBHSA-N	320.477	3.051	10	20	DGCD	
Cc1cc2c(NCCCSc3nccs3)nccn2n1	302529961	CKJLYXPVOVSECF-UHFFFAOYSA-N	305.432	3.089	10	20	DGCD	
Cc1cncc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1	189951855	QXWPKUIQNNNPKA-GOSISDBHSA-N	312.413	3.277	10	20	DGCD	
COCC1=CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	185035361	UQXYNAWTDQLPTH-UHFFFAOYSA-N	305.418	3.174	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCNC(=O)CC2CCCCC2)c1	186033033	ZRDVUVDIWNNPQM-HNNXBMFYSA-N	318.461	3.438	10	20	DGCD	
CCOC(=O)N1CC[C@@H](N[C@H](CC)c2ccc(N(C)C)cc2)C1	186452637	HMGFAFKMNBAYSE-NVXWUHKLSA-N	319.449	3.024	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC([C@H]3CCCN3)CC2)c1O	317473389	CRFLJXRCKQXYSG-OAHLLOKOSA-N	324.852	3.018	10	20	DGCD	
CCOC(=O)N1CCC([C@@H](C)NCc2cc(C)ccc2O)CC1	189365339	KNJOJDDXUCVOOU-CQSZACIVSA-N	320.433	3.047	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C[C@@H]3CCC[C@@H]3C)CC2)cc1	184605880	QUHPGFFGGXOAPN-HOTGVXAUSA-N	316.445	3.170	10	20	DGCD	
O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(Cl)ccc1O	227229588	SZTXMRWUXIJTJZ-BPNCWPANSA-N	309.793	3.263	10	20	DGCD	
CC[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	132989745	MCKDXLWCCSJZPO-RDJZCZTQSA-N	303.450	3.473	10	20	DGCD	
COc1ccccc1C(C)(C)NCc1cc2c(cc1O)OCO2	237106961	LMINRLGIHJPWER-UHFFFAOYSA-N	315.369	3.154	10	20	DGCD	
COc1ccc(N2CCCN(Cc3cccnc3C)CC2)cc1	92380834	OZFAXPNOTHPMKQ-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
C[C@@H](CCc1ccccc1F)C(=O)NCCc1ccc(N)cc1	237350977	HGANKXAODZBADT-AWEZNQCLSA-N	314.404	3.336	10	20	DGCD	
COCCC1CCN(Cc2cc(Cl)cc(OC)c2O)CC1	529637593	GOQTZIXOAOVQFY-UHFFFAOYSA-N	313.825	3.303	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@H]2CCCc3c2cnn3C)cc1F	362385650	DKJBCXZGWMKVQT-INIZCTEOSA-N	316.424	3.135	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(CCC(N)=O)CC2)cc1	271213137	VKJATRZMWQAPGZ-UHFFFAOYSA-N	317.477	3.010	10	20	DGCD	
COC[C@@H](CN[C@@H](C)c1cc(Cl)c(Cl)cc1O)OC	278643737	HQCOQQPMYJLEDF-DTWKUNHWSA-N	308.205	3.011	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2CCOC3(CCC3)C2)c1O	273692957	BOQYNNNJIMSVIN-ZDUSSCGKSA-N	311.809	3.246	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1	277442272	OKIIOJJHGFIRRG-NEPJUHHUSA-N	318.421	3.273	10	20	DGCD	
C[C@@H](CN1CCCCC1)NCc1ccc(N2CCCC2)cc1	378924160	RHNQLUCLWMHECD-KRWDZBQOSA-N	301.478	3.251	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCO[C@@]3(CCOC3)C2)cc1	374499235	ZHSUYFKNINFFHN-IEZWGBDMSA-N	318.461	3.131	10	20	DGCD	
COc1cc(Cl)cc(CNCC[C@@H](O)c2ccccc2)c1O	289396976	FWAXWKCCOBSJAG-OAHLLOKOSA-N	321.804	3.268	10	20	DGCD	
Cc1ccc(NC(=S)NCc2ncccc2N(C)C)cc1C	811710045	YJEJABCKXORKTN-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
CSCCCN(C)Cc1ccc(Br)cc1O	825768751	XOQDVXVQFMOACV-UHFFFAOYSA-N	304.253	3.340	10	20	DGCD	
CCCCS[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	729277625	FTQUKJLYDYTAIO-NEPJUHHUSA-N	311.447	3.500	10	20	DGCD	
CC[C@H](C)[C@H](CNC1CCN(c2ccc(OC)cc2)CC1)OC	824596735	KYEYGVKIEUPARH-KXBFYZLASA-N	320.477	3.315	10	20	DGCD	
CC(=O)N1CCCc2cc(NC(=O)c3cc(O)cs3)ccc21	732281591	RPBZCUUZCKQUTD-UHFFFAOYSA-N	316.382	3.005	10	20	DGCD	
CCN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCOC1	738080540	GQNIAIKBDIHEIC-CYBMUJFWSA-N	307.434	3.254	10	20	DGCD	
CC[C@@H]1CC[C@@H](C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)O1	839921095	WREYJVXOEPYKIN-OLMNPRSZSA-N	318.461	3.066	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCN1C)c1cc(Cl)cc(Cl)c1O	903318792	SYOVOOOZQGTZJS-GXFFZTMASA-N	303.233	3.444	10	20	DGCD	
CCc1ccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1	832431262	MOVULLAXNJAEQH-CQSZACIVSA-N	311.429	3.130	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)cc1	901887584	MSGZQLNALBPZRJ-OALUTQOASA-N	324.424	3.053	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CCCCO1	837368242	FUHADNZKDQRPFH-SFHVURJKSA-N	304.434	3.060	10	20	DGCD	
O=C(Nc1ccc(N2CCSCC2)cc1)c1cc(O)cs1	743502426	AJGPXWLKZNVKHS-UHFFFAOYSA-N	320.439	3.259	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCC3(O)CCC3)c2C)c1	740724792	OWPQKWYCUVEOCO-UHFFFAOYSA-N	312.413	3.047	10	20	DGCD	
Cc1cc(C)cc(NC(=O)CN2CCCc3cc(CN)ccc32)c1	843350806	YZJQLAWJXJLAKP-UHFFFAOYSA-N	323.440	3.153	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccc([N+](=O)[O-])cc1	746492153	AHLPBDWCBHBVBK-UHFFFAOYSA-N	313.357	3.060	10	20	DGCD	
C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cc1ccc(N)cc1	843495269	QDJCZNJKMWVYIN-CHWSQXEVSA-N	312.388	3.485	10	20	DGCD	
Cc1c(F)cccc1NC(=O)CCN(C)Cc1ccccc1O	744401617	FKFQXBKVEASSHY-UHFFFAOYSA-N	316.376	3.300	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1C[C@@]12CCCc1ccccc12	743326685	GRZNAFCRFJMDDT-YLJYHZDGSA-N	307.393	3.303	10	20	DGCD	
Oc1ccc(Cl)cc1CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	844584051	LTKRDVQMGUPUAQ-OUJBWJOFSA-N	310.850	3.198	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC(OCC2CC2)CC1	840915923	HRKITWBVLHNXCX-UHFFFAOYSA-N	302.462	3.452	10	20	DGCD	
CC(C)C[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841956393	ALJNRCWXYWHWGQ-KRWDZBQOSA-N	303.450	3.422	10	20	DGCD	
COc1cccc([C@H](C)NCCc2sc(C)nc2C)c1O	846145130	LRFBYOOJXAMTTC-JTQLQIEISA-N	306.431	3.367	10	20	DGCD	
C[C@@H](NCc1ccccc1O)c1noc(Cc2ccccc2)n1	752265579	JZHZZKAEFSZEPQ-CYBMUJFWSA-N	309.369	3.217	10	20	DGCD	
C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O	756709054	VLXYFEKDGLFQGN-LLVKDONJSA-N	320.320	3.169	10	20	DGCD	
CCSc1ccccc1C(=O)NCCc1ccc(O)c(O)c1	750792435	ZUGWMYIEWQZNND-UHFFFAOYSA-N	317.410	3.182	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)CC(C)(C)N)c2C)c1	852841636	IAHLHWKORCCKDW-UHFFFAOYSA-N	313.445	3.212	10	20	DGCD	
C[C@H](Cc1cnccn1)N[C@H](C)c1cc2c(cc1O)CCCC2	756495485	RQCDGMGXXGPOFJ-ZIAGYGMSSA-N	311.429	3.343	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756570316	AMIYDXSZHNHNQK-DTWKUNHWSA-N	305.334	3.317	10	20	DGCD	
CS[C@@H](CNC(=O)N(C)Cc1ccccc1O)C(C)(C)C	753282962	GFRFTKLBVXYAQO-AWEZNQCLSA-N	310.463	3.311	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)nc1)N1CCc2cccc(F)c21	759619186	XLUQNZWFCGTUQV-FNORWQNLSA-N	302.736	3.477	10	20	DGCD	
O=C(NCc1csc(-c2ccco2)n1)c1cc(O)cs1	764343672	XTHLMDZKJBCHKE-UHFFFAOYSA-N	306.368	3.100	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CC(=O)Nc1ccccc1	766268906	HANOQTHDTZDOMI-UHFFFAOYSA-N	310.397	3.477	10	20	DGCD	
CCc1cnccc1[C@H](C)NC(=O)N[C@H](C)c1ccccc1O	868475929	OPQLBAWZHKAMES-QWHCGFSZSA-N	313.401	3.471	10	20	DGCD	
CN(C)c1ccc(CNC(=O)COC/C=C\c2ccccc2)cc1	763178356	FKWCTUCRKYPBLR-TWGQIWQCSA-N	324.424	3.099	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H]([C@@H]3CCOC3)C1)CCCC2	768461851	GCKITAOIQLDQDM-IAGOWNOFSA-N	301.430	3.129	10	20	DGCD	
O=C(NCCCSc1nccs1)N[C@H]1CCC(F)(F)C1	764362471	ZJJIVRZZFZVYNG-VIFPVBQESA-N	321.418	3.112	10	20	DGCD	
CCOC(=O)c1ccc(CN(C)c2ccc(OC)c(OC)c2)o1	774579789	HVTMHZNHEJJFRS-UHFFFAOYSA-N	319.357	3.110	10	20	DGCD	
COC(=O)c1cccc(CNCc2ccc(N3CCCC3)cc2)c1	1117592651	VQOLWEOGBPBNIQ-UHFFFAOYSA-N	324.424	3.363	10	20	DGCD	
CC[C@@H]1C[C@H](C)CN1Cc1ccc(N2CCN(C)CC2)cc1	775708874	PIJJXCCBOLAPTF-FUHWJXTLSA-N	301.478	3.059	10	20	DGCD	
Cc1cccc2c1CC[C@@H]2NC(=O)/C=C\c1ccc(O)c(O)c1	779514866	NKVMEUVQWOQSMX-DIEDAUMRSA-N	309.365	3.223	10	20	DGCD	
CCN1C[C@@H](CN(C)Cc2ccccc2O)Oc2ccccc21	778995552	ZFUYRGKVLIHEAG-MRXNPFEDSA-N	312.413	3.112	10	20	DGCD	
C[C@H](Cc1ccc(O)cc1)NC(=O)N[C@H](C)c1ccccc1O	875143009	HNRPTCOJEGLQET-CHWSQXEVSA-N	314.385	3.089	10	20	DGCD	
Cc1noc(Cl)c1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775402852	DKMIZIGWIZFKJG-JTQLQIEISA-N	321.808	3.122	10	20	DGCD	
C[C@H](CN(C)C(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1	779513418	HKPYBLGAXCQMQW-CFRMROPGSA-N	311.381	3.373	10	20	DGCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccccc1	883288802	RSYKCLUKUXURNA-KRWDZBQOSA-N	309.457	3.289	10	20	DGCD	
Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc(O)c(O)c1	779475081	IFGWOMLPINJJNJ-RMKNXTFCSA-N	309.365	3.399	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCO[C@@H](C)C2)cc1	776294004	LSSFPRSQTKSFHU-DOTOQJQBSA-N	318.461	3.306	10	20	DGCD	
COCc1cc(CNCc2cc(F)cc(F)c2O)ccc1F	882989076	YTDKXXFUXVMFMM-UHFFFAOYSA-N	311.303	3.246	10	20	DGCD	
COCC[C@@H](Cc1ccco1)NCc1cc(Cl)ccc1O	784626327	ZSMNSLBUBYZKCN-AWEZNQCLSA-N	309.793	3.376	10	20	DGCD	
COc1ccc(CNC[C@H](C)c2ncc(C)s2)c(O)c1OC	893574826	AFCKRSHUPKOBIK-JTQLQIEISA-N	322.430	3.068	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@@]1(C)CCCO1	788541036	BDLOFLCMZZAGSM-CRAIPNDOSA-N	320.502	3.287	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H]2CCSC2)c1O	271819333	MODOVCWVYZRXRR-NSHDSACASA-N	302.237	3.058	10	20	DGCD	
CCC[C@@H](NC(=O)c1cc(O)cs1)[C@@H](O)c1ccccc1	792683244	RUPHJUZTFCSOLJ-HIFRSBDPSA-N	305.399	3.086	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC(F)(F)CC2)c1O	793351145	BRRVUOQPENQRFH-UHFFFAOYSA-N	306.696	3.185	10	20	DGCD	
COc1ccc(CNC(=O)Cc2ccc(F)cc2Cl)c(O)c1	794373096	GNGTVTSRFSHLCD-UHFFFAOYSA-N	323.751	3.052	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCO1	798459964	PMRPCMJTLUDCOQ-WMLDXEAASA-N	319.449	3.024	10	20	DGCD	
CCN(CC1CCC1)C(=O)NCc1ccc2c(c1)CCCN2C	792952818	UVEOOZROAXHCSN-UHFFFAOYSA-N	315.461	3.401	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@H]1CN1CCCC1	1319701438	XBDRZIOCLRZPJJ-FQEVSTJZSA-N	313.489	3.347	10	20	DGCD	
Cc1ccc([C@H](O)CNCc2ccc(N3CCCC3)cc2)o1	1323123007	CYMPZYNRONEZTO-QGZVFWFLSA-N	300.402	3.011	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)C(C)(C)c1ccccc1	1335687279	QERQJZWXAHUJGC-AWEZNQCLSA-N	311.429	3.434	10	20	DGCD	
COc1ccc(CN[C@@H]2CCC[C@@H](F)C2)cc1Cn1cccn1	1332314616	ZULPUVHKGGAPSY-IAGOWNOFSA-N	317.408	3.310	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@](CC)(C(=O)O)C2)cc1	1589714725	DDKZBUARZLRJHF-GOSISDBHSA-N	304.434	3.220	10	20	DGCD	
C[C@]1(C(=O)O)CCCC[C@H]1NCc1ccc2c(c1)CCCO2	1776503351	FPPDFAJDTVEFSJ-AEFFLSMTSA-N	303.402	3.135	10	20	DGCD	
Cc1ccc(O)c(CN(C)CC(=O)Nc2cccc(C)c2C)c1	161547188	ZLCBOEPESXJQJX-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
COc1cc(O)c(CN2CCC(OC(C)(C)C)CC2)cc1OC	160402875	YLJBFWIXEHAYCZ-UHFFFAOYSA-N	323.433	3.189	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C=CCCC1	157980236	VMXFCLUJMNRUHC-INIZCTEOSA-N	301.434	3.393	10	20	DGCD	
COc1ccc2ccc(O)c(CN3C[C@H](C)OC[C@@H]3C)c2c1	26666621	BRBIVJKQPFIOQF-STQMWFEESA-N	301.386	3.163	10	20	DGCD	
CCO[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	75883081	HBNGOTLCGSPVNZ-OAHLLOKOSA-N	304.434	3.060	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1	79391302	XPCVAYGTALHQLH-FMIVXFBMSA-N	309.413	3.257	10	20	DGCD	
CC(=O)c1cc(F)cc(CNC(C)(C)c2nccs2)c1O	79437223	ZYJVSSWHXDQZGS-UHFFFAOYSA-N	308.378	3.215	10	20	DGCD	
CN(C)c1ccccc1NCc1ccc(N2CCOCC2)cc1	122264275	WRKVGZDXCXHYAP-UHFFFAOYSA-N	311.429	3.201	10	20	DGCD	
COc1ccc2c(c1)N(Cc1cccc(OC)c1O)C[C@H](C)O2	131300920	LGXSIOVPVHANGH-LBPRGKRZSA-N	315.369	3.197	10	20	DGCD	
O=C(C=C1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	132223573	VGVAKFTXFMNNJI-INIZCTEOSA-N	301.386	3.010	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1	152590541	HOINQCRYOPPYBA-HUUCEWRRSA-N	316.351	3.009	10	20	DGCD	
CCc1nn(C)c(CC)c1CNCc1c(O)cccc1Cl	169284923	NWENRHDCWLVOMV-UHFFFAOYSA-N	307.825	3.194	10	20	DGCD	
Cc1cc(O)c(CN[C@H](CO)Cc2c[nH]c3ccccc23)cc1C	174400693	CAIJOVWGCGGVIN-KRWDZBQOSA-N	324.424	3.184	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H](C)c2nc[nH]n2)c1	174558218	QMBBAYCZIFRRLT-AWEZNQCLSA-N	323.400	3.012	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(Cc2cccnc2)C2CC2)c1O	180724753	KQBXARZPPSVRSZ-UHFFFAOYSA-N	314.360	3.294	10	20	DGCD	
C[C@](O)(CNCc1cc(F)ccc1O)c1cccc(Cl)c1	184961922	SAEMNYIZVQCGAT-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
CC[C@H](NCCc1cccc(C(=O)NC)c1)c1ccccc1O	185212100	VFMDILRSXRHHCX-KRWDZBQOSA-N	312.413	3.035	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@](C)(O)c2ccc(F)cc2)c1	186189647	VCUVUZQKDDLAOO-FZKQIMNGSA-N	303.377	3.398	10	20	DGCD	
CC[C@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1O	193504275	BQVGLWQCVIKKPR-OCCSQVGLSA-N	316.367	3.317	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CC2(Cl)Cl)cc1	193744862	YAGZYRJJJKBCKE-CYBMUJFWSA-N	315.244	3.343	10	20	DGCD	
CO[C@@]1(C)CCCN(Cc2cc(Br)ccc2O)C1	230299891	FPJGXFZKYZGSCC-AWEZNQCLSA-N	314.223	3.156	10	20	DGCD	
CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1	236700405	IRQFQKBZPBYHPG-SFHVURJKSA-N	314.404	3.334	10	20	DGCD	
C[C@@H](CC(=O)NCCc1ccc(N)cc1)Cc1cccc(F)c1	237446743	WOFUGPWTKFBXEN-CQSZACIVSA-N	314.404	3.336	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cncs2)cc1F	264505776	PLNSBPGGHDNGQB-UHFFFAOYSA-N	307.394	3.058	10	20	DGCD	
CS[C@@H](CO)[C@@H](C)NCc1cc(-c2ccccc2)ccc1O	265738616	DFSQVMVKXALOTF-ACJLOTCBSA-N	317.454	3.261	10	20	DGCD	
COCC[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccco1	273327220	YIBXQRDAHFLWDX-OAHLLOKOSA-N	321.348	3.194	10	20	DGCD	
C[C@@H](COCC(F)(F)F)N[C@H](C)c1ccc(F)c(F)c1O	277003697	ZRLQQMIEFBPYIM-JGVFFNPUSA-N	313.266	3.288	10	20	DGCD	
C[C@@H](NC[C@H]1COc2ccccc21)c1ccc(F)c(F)c1O	290165760	DMYMPRKNLQDJCW-MNOVXSKESA-N	305.324	3.497	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@@H](OC)C(C)(C)C2)c1O	295014678	MKTNEGNFBQEAIW-CQSZACIVSA-N	313.825	3.301	10	20	DGCD	
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(C2CC2)cc1	295610622	NSYQWDZCMIBTIK-UHFFFAOYSA-N	317.410	3.090	10	20	DGCD	
CC(=O)c1cc(Cl)cc(Cn2cnc3c2CCCC3)c1O	296562129	COZMPXKOPPLDRA-UHFFFAOYSA-N	304.777	3.372	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cc(C)ccn1	297564538	SEMCIRNSAUSWNU-UHFFFAOYSA-N	313.401	3.217	10	20	DGCD	
CCOc1cccc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c1O	390164247	MRBZBIBDCOYGPO-YUELXQCFSA-N	319.401	3.009	10	20	DGCD	
CC[C@@H]1C[C@H](C)CN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	399715005	BMIIMFCDYDDBTQ-PDCNKGEESA-N	304.346	3.317	10	20	DGCD	
Cc1c(CNC(=O)N2CCC[C@@H]2CF)n(C)c2ccccc12	454875444	NUMALLVKDBWZAF-CYBMUJFWSA-N	303.381	3.130	10	20	DGCD	
COc1ccccc1C(=O)NCc1c(C)c2ccccc2n1C	471222606	JHOMYAHHPXWHBN-UHFFFAOYSA-N	308.381	3.425	10	20	DGCD	
COc1ccc(O)c(CNc2cnc3cc(F)c(F)cc3n2)c1	736295591	XANZKHZEZDFAEY-UHFFFAOYSA-N	317.295	3.234	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)C(=O)OC(C)(C)C)cc1F	740007019	QUHXMMGREAQJRW-CYBMUJFWSA-N	324.440	3.492	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](OC)C1(C)C	753557525	OQUBLEGSWQNDLC-HZPDHXFCSA-N	320.433	3.127	10	20	DGCD	
CC[C@@H](C)[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	756324057	YVGCSOXNWDOMOV-HQJQHLMTSA-N	306.189	3.288	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2ccc(O)cc2)cc1Cl	758141412	DRUBAXXJSGGVLK-UHFFFAOYSA-N	320.776	3.129	10	20	DGCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccc(Cl)cc1	758545755	BWPMDRKQIZYSGX-VIFPVBQESA-N	320.728	3.179	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H](n3ccnc3)C2)c1O	761193414	AWKSVLHHQQAECF-AWEZNQCLSA-N	321.808	3.088	10	20	DGCD	
COc1ccc(CN(C)Cc2c(O)cccc2OC)cc1F	768201357	VPUGJRWUUPUHII-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1c1ccsc1)[C@@H](O)CO2	768439707	MRXKUCYNPBEAKL-ZBFHGGJFSA-N	317.410	3.217	10	20	DGCD	
CCC[C@@H]1[C@@H](C)CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768465573	ISCJFYYHZFJIRK-XGWLTEMNSA-N	305.418	3.219	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCOCC3(CCCC3)C2)c1O	775850270	VIOZRZGATHHQEL-UHFFFAOYSA-N	321.392	3.127	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](F)Cc2ccccc2)c1	778390174	LOYVJUAZTNXWMX-WBMJQRKESA-N	317.360	3.159	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccc(F)cc2F)cc1	784559999	TXJYVVSRNBNQSB-UHFFFAOYSA-N	321.323	3.153	10	20	DGCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)c1cccc(Cl)c1	784796639	BAMFBJHMWICDQM-SECBINFHSA-N	320.728	3.179	10	20	DGCD	
CC[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1O	794811618	SLUOFBOARFAUMS-HNNXBMFYSA-N	320.433	3.361	10	20	DGCD	
CC[C@H](NCCc1cccc(C(N)=O)c1)c1ccc(C)cc1O	794812555	XECGYDGJJHPUAP-KRWDZBQOSA-N	312.413	3.083	10	20	DGCD	
COc1ccc2c(c1)CCCN2C[C@@H]1COc2ccccc2O1	797720755	NHFJJQDCZSKBRO-MRXNPFEDSA-N	311.381	3.288	10	20	DGCD	
C[C@H](N[C@@H](CCO)Cc1ccccc1)c1cc(F)ccc1O	799728565	CKWOEPPKJUAMGC-BBRMVZONSA-N	303.377	3.176	10	20	DGCD	
Fc1ccc2c(c1)CCN2Cc1ccc(N2CCOCC2)cc1	802657593	JVUHOUPEVGKJQK-UHFFFAOYSA-N	312.388	3.225	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCC[C@@H](O)c1ccccc1	809747722	VAXGWSSALNZINC-CQSZACIVSA-N	309.768	3.398	10	20	DGCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1F)c1ccc(N(C)C)cc1	809777918	IONCBZAUBQDPJK-JTQLQIEISA-N	320.339	3.227	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@@H]2CCc3nc(C)ncc3C2)c(O)c1	815557747	CQPSNYUEYSNGSM-CZUORRHYSA-N	311.429	3.316	10	20	DGCD	
Cc1cc(C)c(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)cn1	825220943	AIJFRIUBFLNLGO-UHFFFAOYSA-N	321.764	3.255	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1CCS[C@H]1C)c1ccc(N(C)C)cc1	826532602	WJIMSYFMCWUCHN-SLEUVZQESA-N	307.463	3.007	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)c2cc(C)c(C(=O)O)o2)c1	833733972	XDRUYMJIRQMTRK-WDEREUQCSA-N	319.357	3.412	10	20	DGCD	
CC(C)C[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	839146264	AYDARXJTKCDTHR-ZDUSSCGKSA-N	312.404	3.326	10	20	DGCD	
CN(C)c1ccc(CN(CCc2cncs2)C2CC2)cc1	839467506	GLVBRXGXYRYZSZ-UHFFFAOYSA-N	301.459	3.416	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1cnc(Cl)cn1)CCC2	839656942	WQJICYVTFAOIOM-UHFFFAOYSA-N	319.792	3.100	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1scnc1C	839915622	IQBCPHRZWKVEAK-GFCCVEGCSA-N	317.458	3.187	10	20	DGCD	
COc1cccc(NC(=S)NCc2ccc(C)c(C)n2)c1	840844396	QNRSDJFJGRGYCJ-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
C[C@H](Cc1ccc(F)cc1)NC[C@H](N)c1ccc(N(C)C)cc1	841045777	PTTBVVGXQIRPRI-KUHUBIRLSA-N	315.436	3.112	10	20	DGCD	
CC[C@@H](Cc1ccccc1)NC(=O)NCCc1ccc(N)cc1	841784607	AZKFUJFBZSTEJL-SFHVURJKSA-N	311.429	3.132	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC([C@H]2CCNC2)CC1	843127839	TYLYTRKRFKRVOK-LBPRGKRZSA-N	312.816	3.006	10	20	DGCD	
Cc1ccc2nc(CN3CCCc4cc(CN)ccc43)cn2c1	844219260	KNFBUMWADFFPNG-UHFFFAOYSA-N	306.413	3.054	10	20	DGCD	
C[C@H](NC(=O)N1CCCC(F)(F)C1)c1ccc(N(C)C)cc1	845124617	IJEFSNSAYJIEOC-LBPRGKRZSA-N	311.376	3.254	10	20	DGCD	
Cc1ccc(C(=O)N2CCSC23CCCCC3)c(O)c1O	848051222	AENCBPDYMAQICQ-UHFFFAOYSA-N	307.415	3.256	10	20	DGCD	
O=C1[C@H](Sc2ncc(Cl)s2)CCN1CC(F)(F)F	849999134	OLHJDEHFCYIKMS-RXMQYKEDSA-N	316.757	3.052	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCc2ncccn2)c1O	850551583	HXQGGGVUQPXREN-SNVBAGLBSA-N	322.206	3.104	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CO)c2ccc(F)cc2F)cc1	852714024	VEVSOFXDQQSULZ-GOSISDBHSA-N	320.383	3.244	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@@](C)(O)c2ccccc2)cc1F	858137517	SMRPDLMKMFBUCG-GOSISDBHSA-N	320.383	3.028	10	20	DGCD	
COC1CCN(c2ccc(CN(C3CC3)C3CC3)cc2)CC1	859628038	XKXUNAPHSZSMBQ-UHFFFAOYSA-N	300.446	3.429	10	20	DGCD	
CN(C)c1ccc(CNCc2cccc(CCC(=O)O)c2)cc1	864517696	KWMUBBGUSBINAQ-UHFFFAOYSA-N	312.413	3.060	10	20	DGCD	
CCC[C@@H](CCO)N[C@@H](C)c1cc(Br)ccc1O	866414651	JINAAGQFLUMLME-JQWIXIFHSA-N	316.239	3.356	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CC12CCC2	873262790	PRHPSOCRINOVPH-NSHDSACASA-N	315.200	3.441	10	20	DGCD	
Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	890030257	BCPPXQHNMRHANX-NSHDSACASA-N	317.458	3.246	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(OCC(=O)O)cc1	901716711	KCHJNAYZGJVIHO-UHFFFAOYSA-N	314.385	3.137	10	20	DGCD	
NCC1(c2ccccc2)CCN(Cc2cc(F)ccc2O)CC1	904459815	XKXGZQLMKWFKSZ-UHFFFAOYSA-N	314.404	3.024	10	20	DGCD	
C[C@H]1CCc2sc(C(=O)NCc3ccc(O)cc3O)cc2C1	910958796	VBPPETNFXZYIPG-JTQLQIEISA-N	317.410	3.214	10	20	DGCD	
COc1ccc(CNCCNC(=O)C(C)=C2CCCC2)cc1C	1125523429	MNCIWKJXXWXSFD-UHFFFAOYSA-N	316.445	3.100	10	20	DGCD	
COC(=O)[C@@H](C)N(Cc1ccc(N2CCCC2)cc1)C1CCC1	1321075984	QCFVMXLQGQVTKS-OAHLLOKOSA-N	316.445	3.203	10	20	DGCD	
C[C@@](CNCc1c(O)cccc1Cl)(C(=O)O)c1ccccc1	1604185787	SONPDZQJQOZXIM-KRWDZBQOSA-N	319.788	3.178	10	20	DGCD	
CCC[C@H](NC(=O)c1sccc1-n1c(C)ccc1C)C(=O)O	1605360361	CXCCIADUHRJKNO-LBPRGKRZSA-N	320.414	3.139	10	20	DGCD	
COc1c(C)cccc1CN[C@H](C)c1cc(C(=O)O)ccc1O	1607013575	LDHJUEMINSDVJY-GFCCVEGCSA-N	315.369	3.258	10	20	DGCD	
CCc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c(O)c(C(C)(C)C)c1	1610058630	LLPZTNRMHVGOLA-FOLVSLTJSA-N	317.429	3.015	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](CCC(C)C)C(=O)O)ccc21	1776876998	CQAZMXZMDIPLIF-INIZCTEOSA-N	304.434	3.048	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccccc2C)c1	103597492	PHUYSBAKCKCKTG-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
CC1CCN(c2ccc(CNc3ccncc3C(N)=O)cc2)CC1	302239128	XBFLTSFDHQKQQK-UHFFFAOYSA-N	324.428	3.029	10	20	DGCD	
COc1ccc(OCCN[C@@H](C)c2cc(OC)ccc2O)cc1	182383741	VMYZIAIRMXVMGS-ZDUSSCGKSA-N	317.385	3.139	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccc(C)s2)cc1	183228323	TXHPIUZBCDKHLE-UHFFFAOYSA-N	305.399	3.245	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCC2(C)COC2)c1O	187199540	GLKGAFUXOGIQBX-JTQLQIEISA-N	314.223	3.150	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1C	151873135	YIPZSADGUZDZLW-UHFFFAOYSA-N	311.790	3.463	10	20	DGCD	
C1=C(c2c[nH]c3ncccc23)CCN(c2ncnc3c2CCC3)C1	76920603	ZRSVQRWPCIXOJI-UHFFFAOYSA-N	317.396	3.135	10	20	DGCD	
CC(C)C[C@@H](CO)N[C@H](C)c1cc(Br)ccc1O	185113951	GGWDKUDIBCJICU-PWSUYJOCSA-N	316.239	3.212	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2cccc(C)c2)c1	120149204	SWHLGKRLDTWGCG-CQSZACIVSA-N	301.386	3.439	10	20	DGCD	
C[C@H](NC[C@H]1CCCC[C@@H]1C(=O)O)c1ccc(N(C)C)cc1	316310521	KLVDBCIKEFEJKH-LXZKKBNFSA-N	304.434	3.294	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2ccc(OC)c(F)c2)c1	185333232	IUUOOKYYNDKIOO-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
CCc1ccc(OCc2cc(C(=O)O)oc2C)c([N+](=O)[O-])c1	315756165	HJPRIHVFTZZNRT-UHFFFAOYSA-N	305.286	3.336	10	20	DGCD	
CCN(CC)c1ccc(CNc2ncnc3onc(C)c23)cc1	195509775	GBLGCEGMQDGNGR-UHFFFAOYSA-N	311.389	3.385	10	20	DGCD	
C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc(O)c2O)C1	193068809	XBTHQMVMMATXNQ-IBGZPJMESA-N	311.381	3.292	10	20	DGCD	
COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1C	194522380	ZLCUWWPAWHEADT-RVDMUPIBSA-N	316.426	3.460	10	20	DGCD	
C[C@H](C1CC1)N(C)C(=O)NCc1ccc(N2CCCC2)cc1	194167359	YOXKGQRHBHHXCJ-CQSZACIVSA-N	301.434	3.227	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@H](C)CC2)c1	190551735	ALJAQHTYOHGCII-JSGCOSHPSA-N	306.406	3.169	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@H](CN(C)CCC)C2)c(O)c1	93742339	BQSPBLJIZBMYDX-INIZCTEOSA-N	320.477	3.345	10	20	DGCD	
CCN(Cc1cc2c(cc1O)OCO2)[C@H](C)c1cccc(O)c1	91975287	ZFQWKBBCZSNZLO-GFCCVEGCSA-N	315.369	3.410	10	20	DGCD	
Oc1ccc(Br)cc1CN[C@H]1CCCc2cn[nH]c21	268882302	YBJIGCSGICCDOX-LBPRGKRZSA-N	322.206	3.045	10	20	DGCD	
CCn1cnnc1CN[C@@H](C)c1cc(Cl)c(Cl)cc1O	278323655	VHRYZBUUGYUFGA-QMMMGPOBSA-N	315.204	3.161	10	20	DGCD	
CN1CCC([C@@H]2CCN(Cc3cc(Cl)ccc3O)C2)CC1	367687393	NBMQULYEDZCNLH-CQSZACIVSA-N	308.853	3.209	10	20	DGCD	
CCCN(Cc1c(C)nn(CC)c1C)c1ccc(CN)cc1	278386843	MIZIZIXUEXPTLR-UHFFFAOYSA-N	300.450	3.395	10	20	DGCD	
CC[C@H](NCCNC(=O)c1ccco1)c1cccc(Cl)c1O	287604924	ITTWWSOIRODCBM-ZDUSSCGKSA-N	322.792	3.109	10	20	DGCD	
Cc1cc(C(=O)N2[C@H]3C=CC[C@H]2CC3)c(C)n1-c1ccccn1	370939194	KRYMQYZBMWZHGT-HOTGVXAUSA-N	307.397	3.422	10	20	DGCD	
Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2O)c(C)n1-c1ccccc1	286517907	XESDDUVODDUTQR-QZTJIDSGSA-N	312.413	3.080	10	20	DGCD	
COc1ccc(O)c(CN2CCCN3c4ccccc4C[C@H]3C2)c1	291704118	ZGSVUIYVJQVZAK-KRWDZBQOSA-N	324.424	3.038	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CC(=O)N(C(C)C)C2)c1O	808707526	RHGMIQDQNVIJDE-DGCLKSJQSA-N	310.825	3.014	10	20	DGCD	
FC(F)(F)c1cccc(CNCc2ccc3c(c2)CCO3)n1	294751416	IHJRRMKBMROHNB-UHFFFAOYSA-N	308.303	3.325	10	20	DGCD	
CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N(C)C)cc1C	807976245	IHXLRMHHSIPSJE-UHFFFAOYSA-N	317.393	3.106	10	20	DGCD	
CCC[C@H](OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	294280492	FGCZQZWNMOVOSR-SFHVURJKSA-N	318.461	3.450	10	20	DGCD	
CN(C)c1ccc(CN2CC(C)(C)[C@H]2c2nccn2C)cc1F	294706788	DJBSFYQVUBBLJL-MRXNPFEDSA-N	316.424	3.208	10	20	DGCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)c1ccc(NC(N)=O)cc1	297581038	HCXLWMASWJBAHC-NHYWBVRUSA-N	311.385	3.221	10	20	DGCD	
CSC1(CN(C)c2ccc(OCCN(C)C)cc2)CCC1	811489238	BALSNPSQSAUWED-UHFFFAOYSA-N	308.491	3.349	10	20	DGCD	
C[C@H]1C[C@@H]1c1ccc(CNCc2cc3c(cc2O)OCO3)o1	725846640	JYQFXKKEDPUDRS-GWCFXTLKSA-N	301.342	3.127	10	20	DGCD	
C[C@H](NC[C@@H](N)C1CC1)c1ccc(N2CCCCCC2)cc1	817965478	RKRBWKBORRVFBD-HNAYVOBHSA-N	301.478	3.455	10	20	DGCD	
CN1CCN(c2ccc(CN[C@@H](C3CCC3)C3CC3)cc2)CC1	835068915	JDBYHEPLTUIJLP-FQEVSTJZSA-N	313.489	3.107	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2C[C@H](C)Oc3ccccc32)s1	732741026	GVOVZYNWFFWRSF-TVRMLOFPSA-N	300.383	3.279	10	20	DGCD	
O=C(O[C@@H]1CCCc2ccccc2C1=O)c1cc(O)cs1	732353052	KWUHMEYUZYGEKA-CYBMUJFWSA-N	302.351	3.198	10	20	DGCD	
COc1cccc(CN[C@@H]2CCOc3c(OC)cccc32)c1O	733331618	FDCNJYZKAWBNLI-CQSZACIVSA-N	315.369	3.023	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)Cc3ncc[nH]3)c2C)c1	731880834	ZESBXDKQAPODHM-UHFFFAOYSA-N	322.412	3.398	10	20	DGCD	
CCOc1cccc(CN(C)C[C@@H](C)C(=O)OC(C)(C)C)c1O	839192557	KPINQLQZAUMTMZ-CYBMUJFWSA-N	323.433	3.201	10	20	DGCD	
CN(CCOc1ccccc1Cl)C(=O)c1cc(O)cs1	732259062	KYNVVNFEBHXZMZ-UHFFFAOYSA-N	311.790	3.258	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H]1C(C)C	840478694	BJAGFOKZJSWPIK-CRAIPNDOSA-N	317.477	3.432	10	20	DGCD	
O=C1N[C@H](c2cccc(O)c2O)Nc2c1sc1ccccc21	742442728	YNSTYBLVGFZFBW-OAHLLOKOSA-N	312.350	3.167	10	20	DGCD	
COc1cc(CN2CCc3cccc(OC)c3C2)c(O)cc1C	840137472	WQUOSVHWEKAPHY-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1	841666347	AAILPXGBNCUTNH-SOLBZPMBSA-N	315.461	3.469	10	20	DGCD	
COc1ccc(N(CCCN2CCCC2=O)CC(C)C)cc1	746169934	HFRZZOFMDWREOL-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
Nc1ccc(CCNC(=O)NCCCCc2ccccc2)cc1	841672165	UICHPFYZYUMHIH-UHFFFAOYSA-N	311.429	3.133	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ccc3c[nH]nc3c2)cc1	846052632	PLAMAQLJHLYHAT-UHFFFAOYSA-N	324.428	3.140	10	20	DGCD	
COc1cc(CN=c2cc[nH]cc2F)c(O)c(C(C)(C)C)c1	849345084	JGXAPLDHYVVKQS-UHFFFAOYSA-N	304.365	3.266	10	20	DGCD	
COC[C@H](NCc1ccc(N(C)C)cc1C)c1ccc(C)o1	840935223	IVVLXFSDELEABH-KRWDZBQOSA-N	302.418	3.440	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN[C@@H]1CCCN2CCCC[C@H]12	848927827	OIOMPURRZWRXIO-HUUCEWRRSA-N	312.816	3.291	10	20	DGCD	
CCc1cccc(CNC[C@@H](c2ccnn2C)C(C)C)c1O	848907018	ZTGULPLAAPRBCW-MRXNPFEDSA-N	301.434	3.218	10	20	DGCD	
C[C@H](c1cccnc1)N(C)Cc1ccc(N2CCN(C)CC2)cc1	757892323	RPGJZQQFAGZEAJ-QGZVFWFLSA-N	324.472	3.026	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccc(C)cc3)CC2)cc1F	753857001	HHYHVGUJTBCZHU-UHFFFAOYSA-N	314.404	3.465	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC(CCCN2CCCC2)CC1	752630561	LRDBBEYCVVTZDN-UHFFFAOYSA-N	322.474	3.182	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccccc2F)c1	862759624	HIZDEXOYTYTGQZ-ZDUSSCGKSA-N	301.361	3.335	10	20	DGCD	
CC[C@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N(C)C)cc1	766587402	XMKDKEHRJQJBNA-ZOCIIQOWSA-N	301.478	3.276	10	20	DGCD	
CCCCCN1CC(=O)N[C@@H]1c1ccc(N(CC)CC)c(F)c1	877854363	QCEVJQILOYTORO-SFHVURJKSA-N	321.440	3.293	10	20	DGCD	
CCO[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccccc1O	875655581	FUWAPSMVZNDWPT-XNRPHZJLSA-N	306.406	3.100	10	20	DGCD	
Oc1ccc(Cl)cc1CNCCn1ccc(C(F)(F)F)n1	873157942	NWGCYWKKSUQGPU-UHFFFAOYSA-N	319.714	3.051	10	20	DGCD	
CC[C@H]1C[C@H](C)CN1Cc1ccc(N2CCC(O)CC2)cc1	876748068	ULGVRTPLDXSCOZ-RDJZCZTQSA-N	302.462	3.268	10	20	DGCD	
O=S(=O)(/C=C/c1ccccc1Cl)Nc1ccc(O)cc1	776744162	FKUDKQDTEQDTFK-MDZDMXLPSA-N	309.774	3.458	10	20	DGCD	
CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cccc(Cl)c1O	775720272	KPMKHXMBXUQURR-GJZGRUSLSA-N	324.852	3.267	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)cc1F	770292664	NWZRPDGJWHXJIU-YJBOKZPZSA-N	308.441	3.265	10	20	DGCD	
Oc1ccc(F)cc1CN1CC[C@H](COc2ccccc2)C1	780788956	FJOBXHSJHFCDIP-AWEZNQCLSA-N	301.361	3.432	10	20	DGCD	
C[C@]1(c2cccc(N[C@H]3CCc4cccc(O)c43)c2)COC(=O)N1	883329665	PHAKZUOGDPBBTG-HNAYVOBHSA-N	324.380	3.447	10	20	DGCD	
CC[C@H](C)[C@@H](O)CN[C@H](C)c1cccc(C(F)(F)F)c1O	788590845	HBEZBEANPYSSOV-CWSCBRNRSA-N	305.340	3.469	10	20	DGCD	
CSc1ccc(F)cc1CNC(=O)c1ccc(C)c(O)c1O	780956046	IRUGTXJJGMRRCR-UHFFFAOYSA-N	321.373	3.197	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)CCCF)ccc21	895294028	IZIUVHPKYUPNKJ-UHFFFAOYSA-N	320.408	3.336	10	20	DGCD	
CN(C)c1ccc(/C=C\c2n[nH]cc2C=O)c(C(F)(F)F)c1	794935015	PAGYQWWCVGTBSO-XQRVVYSFSA-N	309.291	3.477	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc2c[nH]nc2c1)c1ccc(N(C)C)cc1	793857314	UPFDNEZENOLUBB-CYBMUJFWSA-N	322.412	3.049	10	20	DGCD	
CCCN1CCC(NCc2c(O)ccc(Cl)c2F)CC1	790946602	FDHIVVJGFUIOAD-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
COc1ccc(CN[C@H]2CCc3ccc(OC)cc3C2)c(O)c1	793386560	WNDOJXCLHBVKJF-INIZCTEOSA-N	313.397	3.057	10	20	DGCD	
CC[C@H](Nc1ccc(NC(C)=O)cn1)c1ccc(F)cc1O	1322451269	GEEXJIKNPQBIQX-AWEZNQCLSA-N	303.337	3.448	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCOC[C@@H]1CCCO1	1342390779	SCLOMFOMKGKWNA-ILXRZTDVSA-N	305.418	3.034	10	20	DGCD	
C[C@H](N[C@H]1COCc2ccccc21)c1cc(C(=O)O)ccc1O	1609774830	CAAXWAVOIHIBMT-ZBEGNZNMSA-N	313.353	3.013	10	20	DGCD	
COc1cc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)ccc1C	1610297788	SDNLESBLZKDFIF-LBPRGKRZSA-N	315.369	3.258	10	20	DGCD	
COc1cc(CNC[C@]2(C)CCCNC2)c(O)c(C(C)(C)C)c1	1579152731	FCHARAFHHQQUSC-LJQANCHMSA-N	320.477	3.178	10	20	DGCD	
CC(C)CN(C(=O)Cc1ccc(N)cc1)c1ccc(F)cn1	1575585932	BVAYRTIGTOMJCM-UHFFFAOYSA-N	301.365	3.035	10	20	DGCD	
Cc1cc(O)c(CNCc2ccccc2C(=O)O)cc1Cl	1594326882	LCMBUKOBVNXHTN-UHFFFAOYSA-N	305.761	3.342	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCc2cc(C)cc(C)c2)c1	159752804	XSCVINVOYIYYGB-UHFFFAOYSA-N	313.397	3.267	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCc2ccc(F)cc21	106577204	VTBNNUIIFOJISA-INIZCTEOSA-N	314.360	3.360	10	20	DGCD	
Cc1cc(C(=O)N2CCCO[C@@H](C)C2)c(C)n1-c1ccccc1	171012412	OZNBHCFJSWBNGY-HNNXBMFYSA-N	312.413	3.345	10	20	DGCD	
C[C@H](NCCCCCCO)c1cc(Br)ccc1O	186230930	CJXZJRJPSDZQSX-NSHDSACASA-N	316.239	3.358	10	20	DGCD	
OC[C@@H]1c2ccccc2CCN1Cc1cccc(Cl)c1O	180282061	IDBPAJHFPWKNTH-MRXNPFEDSA-N	303.789	3.137	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1cccs1)c1ccc(F)c(F)c1O	187730422	UVGPZCGVVMTWKU-BJOHPYRUSA-N	313.369	3.290	10	20	DGCD	
COc1cccc(CNCCc2ccccc2OC(F)F)c1O	190881497	KTKUECGBTLASEG-UHFFFAOYSA-N	323.339	3.335	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)c(C)cc2F)c1	136747228	NGVMQDZMNVOMTN-JTQLQIEISA-N	321.323	3.478	10	20	DGCD	
COc1cc(CN(Cc2cc(F)ccc2O)C2CC2)ccc1O	190015134	FYLPDQLBWMXDOA-UHFFFAOYSA-N	317.360	3.410	10	20	DGCD	
COc1cccc(CN[C@H](C)CCOCc2ccccc2)c1O	288344616	BSMQWICGDPXOIQ-OAHLLOKOSA-N	315.413	3.486	10	20	DGCD	
Cc1csc(CNCc2cc(Br)ccc2O)n1	226036516	PRCOMLLEKGWSFA-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC[S@@]1=O	277334966	CQUXPTYIWGNZKZ-UGZDLDLSSA-N	322.257	3.042	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](CO)CC(C)(C)C)CC2)cc1	362638192	SFPDBPASBGTBSN-MRXNPFEDSA-N	320.477	3.051	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1	368211263	CUSGEGWBHBEPNB-OTYXRUKQSA-N	321.323	3.463	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@H](COc3ccccc3)C2)c1	272503627	HLSBUNWDXMXIRD-HNNXBMFYSA-N	313.397	3.302	10	20	DGCD	
C[C@H](N[C@H](C)c1ncn(C)n1)c1ccc(N2CCCCC2)cc1	275789637	XANCGFKWSWPGCP-LSDHHAIUSA-N	313.449	3.217	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC(c2ccsc2)CC1	280410294	HXARTVBWZXIESN-UHFFFAOYSA-N	303.383	3.179	10	20	DGCD	
C[C@@H]1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1	807839272	KFBWYVRBDHSHNA-RKDXNWHRSA-N	318.200	3.130	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cnc([C@@H](C)O)s1	809635880	NGUIAWPKZLQHHB-LLVKDONJSA-N	304.415	3.158	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)/C(C)=C(/C)CC	819697023	LWHFKOOPEASPAX-YPKPFQOOSA-N	319.401	3.030	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2ccc(COCCO)cc2)c(O)c1	818362595	XXXSBRSYJQDRNC-CQSZACIVSA-N	301.386	3.383	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3CN)cc2)CC1	817901239	AFBFSGZNKUJMTB-IEBWSBKVSA-N	301.478	3.140	10	20	DGCD	
CC(C)C[C@H](CNC/C=C/c1ccc(N(C)C)cc1)C(=O)O	818629946	DWVAKRXSUBFBFX-SQRWCISFSA-N	304.434	3.102	10	20	DGCD	
CN1CC[C@H]2[C@@H](CCCN2Cc2cc(Cl)c(F)cc2O)C1	816611920	AJFHRZIIZQOHTK-NHYWBVRUSA-N	312.816	3.101	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@]3(CCCN(C)C3)C2)cc1	816641726	CZYSSJHCWPUTLK-FQEVSTJZSA-N	315.505	3.451	10	20	DGCD	
C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc3ccccc3c2O)C1	826910311	FAQMZXHRGSWXDX-DMPWYTOCSA-N	317.454	3.325	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1cc(OCC)ccc1O	827751997	ZGZVYPZLKOQJLL-FUHWJXTLSA-N	321.417	3.002	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](CO)Cc2ccccc2)cc1Cl	825279841	YIJCZTALQPMTIJ-OAHLLOKOSA-N	305.805	3.047	10	20	DGCD	
Cc1cc(CN(C)C)ccc1NC(=O)c1ccc(C)c(O)c1O	909605475	ZBOADARXLFBJEW-UHFFFAOYSA-N	314.385	3.029	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@]2(C)CCCC[C@@H]2C)c1O	835075314	XKZGFDFNOSOIBL-ZBEGNZNMSA-N	308.378	3.367	10	20	DGCD	
Cc1nc(Cl)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1	588611775	DRWYCFHKTZIHRL-CLTKARDFSA-N	304.733	3.107	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc(-c2nnco2)cc1	830394551	GMDXJCFKAIESGV-UHFFFAOYSA-N	314.297	3.169	10	20	DGCD	
CCCC[C@@H](CC)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	843299833	XGBHRFMGYAOBLP-RHSMWYFYSA-N	305.466	3.085	10	20	DGCD	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)C1	841295553	BENYLJSHOOGAGC-YYQUZTFQSA-N	317.433	3.062	10	20	DGCD	
COc1cccc([C@H](C)NCc2csc([C@H](C)OC)n2)c1O	846148826	HWLXGEDIUQTXDC-QWRGUYRKSA-N	322.430	3.416	10	20	DGCD	
CCCc1ncc(C(=O)NCc2ccc(N(C)C)cc2C)s1	741932910	XJRMPJQKZUCONF-UHFFFAOYSA-N	317.458	3.400	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1	840298384	SYBVDUZMZVXMPV-BBRMVZONSA-N	318.417	3.026	10	20	DGCD	
O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(O)cc1O	920007718	LWSLZOJLSWJNRU-UHFFFAOYSA-N	312.369	3.340	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccnc(N2CCCC2)c1	840946405	IRAXTVRDAISQTA-UHFFFAOYSA-N	324.472	3.346	10	20	DGCD	
COc1cc(CNC2(C)CCOCC2)c(O)c(C(C)(C)C)c1	850222524	IPPBEOAVBVIYPY-UHFFFAOYSA-N	307.434	3.357	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cccc3c2CNC3)cc1	852790026	NMKSEMVHTUCBNR-UHFFFAOYSA-N	323.440	3.066	10	20	DGCD	
C[C@H](N[C@H]1CCSC1)c1cc(Br)c(F)cc1O	756734147	UXXAKLGRPUTGIZ-YUMQZZPRSA-N	320.227	3.450	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H]2CCN2Cc2ccccc2)cc1C	850417041	UKPUNPHJFUBTQA-IBGZPJMESA-N	310.441	3.373	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CO)CC(F)(F)F)cc1F	756994046	KOFOBQWCZBBQPC-GFCCVEGCSA-N	322.346	3.075	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(C)cc1O	756711042	HRDVXVAEHVTGLC-BBRMVZONSA-N	301.386	3.093	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)OCCC(C)C)C2)cc1	859196052	JACHFJQLQOBHCB-HNNXBMFYSA-N	320.433	3.294	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCc2nc(C(C)C)cs2)c1	858303502	WWYBRAKPWFLSJG-UHFFFAOYSA-N	319.430	3.280	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(C)CCOC1	754359291	RTFJUAJUFFHPMN-IBGZPJMESA-N	316.445	3.062	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)N[C@H]3C=CCCC3)cs2)cc1	1118283662	DLNNKAUMLHURIM-AWEZNQCLSA-N	313.426	3.155	10	20	DGCD	
CCN1C(=O)/C(=C\c2cc(F)c(F)cc2F)SC1=S	767707639	QKJCUKQMYAFHFY-ONNFQVAWSA-N	303.330	3.325	10	20	DGCD	
CC(C)(C(=O)NCCc1ccc(O)c(O)c1)C1CCCCC1	767148227	LORSTJMERUCBKR-UHFFFAOYSA-N	305.418	3.363	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]cc2C2CC2)c1	878730943	UXWQEXYOYQMAMZ-SNVBAGLBSA-N	300.358	3.097	10	20	DGCD	
OCCN(CCc1ccccc1)Cc1cccc(Cl)c1O	775697055	SVKPALULIXCRPV-UHFFFAOYSA-N	305.805	3.083	10	20	DGCD	
CCc1nc(CN(Cc2ccccc2O)C2CCCC2)n[nH]1	771759835	BOJGCGFEEXXNDZ-UHFFFAOYSA-N	300.406	3.018	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1	774378364	LINGGLIVGLNXNT-BEFAXECRSA-N	301.478	3.420	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCn2ccc(C(F)(F)F)n2)c1	872109599	OWSSCFQSJREEEH-LLVKDONJSA-N	313.323	3.267	10	20	DGCD	
C[C@H](NC(=O)NC1(C(F)(F)F)CC1)c1ccc(N(C)C)cc1	1119863627	GBOXRFIJNDOHPC-JTQLQIEISA-N	315.339	3.208	10	20	DGCD	
COC1CCN(c2ccc(CN3CCC[C@H](CF)C3)cc2)CC1	880238511	TUFLZEVUCWQLLA-QGZVFWFLSA-N	320.452	3.483	10	20	DGCD	
CCOc1ccc(CNc2ncccc2OC(F)F)c(O)c1	787243814	FYTCJSSLCRBQEQ-UHFFFAOYSA-N	310.300	3.399	10	20	DGCD	
Cc1ccccc1C[C@H](CO)NCc1cc(Cl)cc(F)c1O	786577692	CWEYPVMOWBRKAQ-OAHLLOKOSA-N	323.795	3.186	10	20	DGCD	
Cc1cccc(C(C)(C)CNC(=O)c2c(F)ccc(O)c2O)c1	789963478	JLWBWDDBVYSRLV-UHFFFAOYSA-N	317.360	3.253	10	20	DGCD	
C[C@@H]1CCC[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1	798512237	GCEPPNLVRWKPRR-GDBMZVCRSA-N	303.450	3.330	10	20	DGCD	
CN(C)CC1(CNCc2c(O)ccc(Cl)c2F)CCCC1	790985764	BRODYUNABNUSME-UHFFFAOYSA-N	314.832	3.396	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nccc(Cl)c2F)c1	1320798668	RAOJNHHNIGJMMV-MRVPVSSYSA-N	324.739	3.079	10	20	DGCD	
COc1cc(F)cc(CNCc2cc(F)c(N(C)C)cc2F)c1	1328772497	STHYFZYIIXWKAQ-UHFFFAOYSA-N	324.346	3.468	10	20	DGCD	
Oc1ccc2c(c1CNC(=S)NCC1CCC1)CCCC2	1323152138	MOEZEGPFRURSEH-UHFFFAOYSA-N	304.459	3.035	10	20	DGCD	
CCS[C@H](C)c1noc(CN(C)Cc2ccc(N)cc2)n1	1337838368	OLJPOSTZVXARSN-LLVKDONJSA-N	306.435	3.098	10	20	DGCD	
C[C@@H](N[C@H]1COCc2ccccc21)c1cc(C(=O)O)ccc1O	1609774828	CAAXWAVOIHIBMT-BZNIZROVSA-N	313.353	3.013	10	20	DGCD	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(N)cc1	1579577144	JAMJJCMWNGGQDK-UHFFFAOYSA-N	314.345	3.116	10	20	DGCD	
CCOC(=O)N(C)C1CCN(Cc2cc(C)cc(C)c2O)CC1	164271434	CVKQBBHXKDFARX-UHFFFAOYSA-N	320.433	3.062	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1	154904238	RAKGNSCYPPVNRX-OAHLLOKOSA-N	320.433	3.190	10	20	DGCD	
C[C@H]1CC[C@H](C(=O)O)CN1Cc1cc(Cl)cc(Cl)c1O	397128402	XIFKUOJOSMANDN-IUCAKERBSA-N	318.200	3.384	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc3ccccn3c2)c1	118785837	IVMNYZWEKXPMRQ-LBPRGKRZSA-N	310.353	3.145	10	20	DGCD	
CC[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1	178182214	QPSQYJHJTSKGLK-GOSISDBHSA-N	311.429	3.092	10	20	DGCD	
Cc1ccc(OC(F)F)c(/C=C2/SC(=S)N(C)C2=O)c1	176900076	YRADFFYAQDXVSF-UXBLZVDNSA-N	315.366	3.427	10	20	DGCD	
COc1ccc(Cl)cc1CC(=O)N(C)Cc1ccccc1O	119971494	SLUOUKBGTAMIJF-UHFFFAOYSA-N	319.788	3.255	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2COc3ccccc32)cc1	172002857	LTSRFIDVQMTMDR-SFHVURJKSA-N	324.424	3.325	10	20	DGCD	
Cc1ccc([C@H](C)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c(O)c1	184912693	WPFRTMZGJNHFHX-XHSDSOJGSA-N	320.477	3.239	10	20	DGCD	
Cc1cccc(CNC(C)(C)C(=O)NCC2CCCCC2)c1O	182639703	CBUXHLJHXRREBR-UHFFFAOYSA-N	318.461	3.265	10	20	DGCD	
O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cccc(O)c1O	186981314	MRCDUBQPUCRLEW-UHFFFAOYSA-N	316.332	3.089	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)cc1N	320459894	OSVVTQGMUZLFMQ-UHFFFAOYSA-N	315.392	3.136	10	20	DGCD	
Cc1c(F)cccc1C(=O)N1CCOc2cc(N(C)C)ccc21	421518547	YQBJDWDKTOENJY-UHFFFAOYSA-N	314.360	3.239	10	20	DGCD	
COc1cccc(CN2CCO[C@@H](c3ccccc3F)C2)c1O	92975298	BQJAJUDHADREQS-QGZVFWFLSA-N	317.360	3.113	10	20	DGCD	
COc1cccc(CN2CCO[C@H](c3ccccc3F)C2)c1O	92975297	BQJAJUDHADREQS-KRWDZBQOSA-N	317.360	3.113	10	20	DGCD	
CN(C)c1ccc(CNC[C@]2(C)CCO[C@@H]2C2CC2)cc1F	368765179	MPOJKAWRUFNOAH-MSOLQXFVSA-N	306.425	3.187	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1	273463291	IMZFUKAJVSFDHZ-CRAIPNDOSA-N	324.424	3.152	10	20	DGCD	
COc1cc(O)c(CNc2ccc(F)c([C@H](C)O)c2)cc1OC	289725850	PMWPSLSVYXOPGB-JTQLQIEISA-N	321.348	3.214	10	20	DGCD	
Cc1cc(CN2CCC3(CCOCC3)CC2)ccc1N(C)C	294242834	UEPQKIHUTZKFAH-UHFFFAOYSA-N	302.462	3.454	10	20	DGCD	
CC1=CC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	294299684	PWUBEEGWPZPQGV-MRXNPFEDSA-N	318.436	3.375	10	20	DGCD	
Cc1ccnc(C)c1NC(=O)NCCCSc1nccs1	806538612	NJPQXCUIEVFQTF-UHFFFAOYSA-N	322.459	3.459	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H](C)CCCCO)c1O	295121308	WOTTXBRPWCUIHG-LLVKDONJSA-N	316.239	3.104	10	20	DGCD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)Cc1ccccc1O	291761982	HXRCEOVENGLILY-YVEFUNNKSA-N	312.369	3.056	10	20	DGCD	
CCC[C@@H](CNC(=O)N(CC)Cc1ccc(N(C)C)cc1)OC	297693210	QQMBKUOTQKCWHV-KRWDZBQOSA-N	321.465	3.099	10	20	DGCD	
C[C@H](NC(=O)N(C)CC(F)(F)F)c1ccc(N(C)C)cc1	800113588	GGDIFXISMGNLHY-JTQLQIEISA-N	303.328	3.017	10	20	DGCD	
COCC1(CN[C@@H](C)c2ccc(C)c(C)c2O)CCOCC1	293785243	UCQANMYRJFEQGT-HNNXBMFYSA-N	307.434	3.103	10	20	DGCD	
CCCCN(CC(=O)N1CCCC[C@H]1C)Cc1ccccc1O	801596600	HBBKODSTUHLODI-MRXNPFEDSA-N	318.461	3.395	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c(C)nsc1C	814116832	ZCKHESMCCGMGMO-UHFFFAOYSA-N	303.431	3.064	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2COc3c(C)cccc3C2)c1	810259604	NFOJSVDPCHHIOD-HIFRSBDPSA-N	313.397	3.364	10	20	DGCD	
CCCNCCN[C@@H](CC)c1ccc(C(F)(F)F)cc1O	817963566	UZSYFBVBBNENAM-ZDUSSCGKSA-N	304.356	3.451	10	20	DGCD	
Cc1nc(CN)ccc1[C@@H](C)NCc1ccc(N2CCCC2)cc1	817900831	WPVASPJFHMDVFM-OAHLLOKOSA-N	324.472	3.300	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@H]2CNC[C@H]2C1)c1ccc(N(C)C)cc1	817985205	HCAZQOXKPRKMNF-FAJBIJEISA-N	301.478	3.181	10	20	DGCD	
CCC[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccccn1	729612220	COFGMUZTQHHVJH-MRXNPFEDSA-N	313.401	3.470	10	20	DGCD	
CC(=O)Nc1cccc(CNCc2ccc3c(c2)CCCN3C)c1	727645189	SOXKTNXAEGLQTI-UHFFFAOYSA-N	323.440	3.317	10	20	DGCD	
C[C@@H](Cn1cccn1)NCc1cc(-c2ccccc2)ccc1O	725847449	MORBXVNVCSSWGX-HNNXBMFYSA-N	307.397	3.434	10	20	DGCD	
COc1cccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1O	827377359	WOOLTCXEBWLCGW-ZBFHGGJFSA-N	305.418	3.182	10	20	DGCD	
C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1cc(Br)ccc1O	834915209	PAUSEWDTMXMLIE-SCVCMEIPSA-N	314.223	3.373	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C	831526999	BBBYJJATGTWFIX-BONVTDFDSA-N	311.809	3.105	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cc(N(C)C)ccn2)c2c(O)ccc(F)c21	903198069	FDUZDJNGASSORG-ABAIWWIYSA-N	315.392	3.330	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc(Br)nc1	833025460	LWKLDKRKUPSZSO-UHFFFAOYSA-N	312.119	3.023	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCc2nc(C3CC3)n[nH]2)c1O	834870874	LFNYXRCBFAHYLI-VIFPVBQESA-N	306.797	3.200	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1N(C)C	831166523	UACDZQPAMOKVNI-QXAKKESOSA-N	302.462	3.186	10	20	DGCD	
Cc1cc(O)c(CN(C)C[C@@H]2COc3ccccc3O2)cc1C	915824968	MNMPLHGFIMFAQD-MRXNPFEDSA-N	313.397	3.281	10	20	DGCD	
Cc1ccc(C(=O)NCCC[C@@H]2CC2(Cl)Cl)c(O)c1O	846585905	AMDNQZHCSLWBOA-SECBINFHSA-N	318.200	3.110	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)cc1	741678528	SWPLAYJLXIKOBL-HNNXBMFYSA-N	319.493	3.268	10	20	DGCD	
CNC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	843045267	TVSCOJVQRVAVMJ-SFHVURJKSA-N	301.478	3.108	10	20	DGCD	
COc1cccc([C@@H](C)NCCN(C)Cc2ccccc2)c1O	846142155	CKZRAXYWIBNDHL-OAHLLOKOSA-N	314.429	3.183	10	20	DGCD	
C[C@@H]1CCCc2ncc(C(=O)NCc3cc(Cl)ccc3O)n21	846475296	BTHWQGUPQGSKHX-SNVBAGLBSA-N	319.792	3.069	10	20	DGCD	
CCc1cccc(CN[C@@H](C)c2ncc(C(=O)OC)s2)c1O	848917477	GXKQDNIJFCJNFU-JTQLQIEISA-N	320.414	3.049	10	20	DGCD	
Cc1csc([C@@H](NC(=O)Nc2ccc(N)cc2)C2CC2)n1	841299863	KZSFXVVWGSHYOU-ZDUSSCGKSA-N	302.403	3.307	10	20	DGCD	
CCOc1ccc(CN[C@@H](COC)c2ccc(C)o2)c(O)c1	747100320	WRIIIAKNDUWHPK-HNNXBMFYSA-N	305.374	3.170	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@@H](OC)[C@@H](C)C3)c2c1	840127672	TXNRUTFDYMFGIM-ORAYPTAESA-N	315.413	3.411	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cncc3ccccc23)cc1	841045686	OFXJBHXSPFSDDZ-HXUWFJFHSA-N	320.440	3.090	10	20	DGCD	
COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2O)cc1	748345904	QZFFEKYRPOGJQD-LBPRGKRZSA-N	317.410	3.198	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H]([C@H]2CCCNC2)C1	843126644	MNOKTBBZQMJAGH-HKUYNNGSSA-N	315.505	3.273	10	20	DGCD	
C[C@H](Nc1cnn(CC2CC2)c1)c1cc([N+](=O)[O-])ccc1O	756854833	HECNNAVYFYBRFC-JTQLQIEISA-N	302.334	3.080	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC3CC(SC)C3)C2)cc1	926614675	ZXQWJZKSKHEHGG-TUBUQKNSSA-N	306.475	3.005	10	20	DGCD	
CN(C[C@@H]1CCC(=O)O1)c1ccc(OCc2ccccc2)cc1	851966160	ZKFSMFWUEZKQDI-SFHVURJKSA-N	311.381	3.407	10	20	DGCD	
Cc1ccc([C@@H](O)CNCc2cc(F)c(N(C)C)cc2F)cc1	858105140	KAYDVRKEDDXEDN-SFHVURJKSA-N	320.383	3.162	10	20	DGCD	
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cccc2c1CCNC2	852841889	LWWMZQRGKGIYQJ-CQSZACIVSA-N	322.408	3.068	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(C(=O)O)CCCC2)cc1F	756309435	WUOCASVUUVZETJ-UHFFFAOYSA-N	322.424	3.407	10	20	DGCD	
C[C@@H]1C[C@H](NCCCc2cnn(C)c2)c2c(O)ccc(F)c21	756525459	BTVFLBCGJDALPP-RISCZKNCSA-N	303.381	3.036	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c1	858331993	DNCRUNARVWNDON-ZBFHGGJFSA-N	320.433	3.094	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c(O)c1	865650078	BSOCGPLSUAEDAV-MJGOQNOKSA-N	313.397	3.411	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1	769499367	SNFJEUDHFHWAEW-OAHLLOKOSA-N	321.417	3.097	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O	868251818	AUQBBTMXEGSAMZ-NXEZZACHSA-N	303.362	3.118	10	20	DGCD	
COc1cc(CN2CCC(OCC3CC3)CC2)c(O)cc1C	768464900	CBQLZZKIGUYFDU-UHFFFAOYSA-N	305.418	3.100	10	20	DGCD	
CC[C@H](Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1	762268010	ZEIQLXXIESZPBE-MRXNPFEDSA-N	313.397	3.025	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N(C)Cc1ccccc1	879649699	SUBRVEJGMGVFDN-CABCVRRESA-N	312.413	3.090	10	20	DGCD	
CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(Cl)c(Cl)c1O	775485225	QRSIGUQQYKBZQM-KCJUWKMLSA-N	319.232	3.264	10	20	DGCD	
Cc1cccc(O)c1CN(Cc1ccco1)C[C@@H]1CCCO1	876635213	PUXIQTDBARLYBE-INIZCTEOSA-N	301.386	3.475	10	20	DGCD	
CCc1ccccc1NC(=O)CN(C)Cc1cc(F)ccc1O	778995395	RJPAVVFIQPLNFL-UHFFFAOYSA-N	316.376	3.164	10	20	DGCD	
C[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCc2ccccc21	779509718	HKSFKUSFBHLNHZ-BQYDLMEBSA-N	323.392	3.479	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2CCCCS2)c1O	784619336	ZJXFZPKPBWWNOA-LLVKDONJSA-N	316.810	3.329	10	20	DGCD	
Cc1ccnc(OC2CCN(Cc3cccc(C)c3O)CC2)c1	783593938	OJBYYYKOEWNDDN-UHFFFAOYSA-N	312.413	3.447	10	20	DGCD	
COc1ccc(NCc2cccc(Cl)c2O)cc1NC(N)=O	787312596	ONLCTQQALDAZML-UHFFFAOYSA-N	321.764	3.157	10	20	DGCD	
COc1ccc(CNCCC2CCC(OC)CC2)c(O)c1OC	893565069	WXHFURVXEMIPJX-UHFFFAOYSA-N	323.433	3.094	10	20	DGCD	
CC[C@H](C)n1ncc(NC(=O)c2ccc(C)c(O)c2O)c1C	791585938	WRWOUOJDXBFEAC-JTQLQIEISA-N	303.362	3.134	10	20	DGCD	
OCCC1(CNCc2ccc(N3CCCC3)cc2)CCCC1	1252309335	MISNORURAXXLND-UHFFFAOYSA-N	302.462	3.319	10	20	DGCD	
CC[C@H]1CCCN(c2nnc(-c3sccc3O)n2CC)C1	1339366062	AZHSVJLOTULLCV-NSHDSACASA-N	306.435	3.359	10	20	DGCD	
Oc1ccsc1-c1nnc(N2CCC(F)CC2)n1CC1CC1	1263681555	QFSJJKWUFZUTKB-UHFFFAOYSA-N	322.409	3.061	10	20	DGCD	
CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	158042833	LFSBEJPXDCNXII-AWEZNQCLSA-N	324.852	3.172	10	20	DGCD	
COc1ccc(F)cc1NC(=O)NCc1ccc(N(C)C)cc1	155891308	BYCIVTMMDBOSNV-UHFFFAOYSA-N	317.364	3.222	10	20	DGCD	
CCOc1cccc(CNCCc2ccc([N+](=O)[O-])cc2)c1O	58092773	HPMDTIATRVQYFR-UHFFFAOYSA-N	316.357	3.031	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)c1O	68489230	BXTPUCFBCBTITI-UHFFFAOYSA-N	310.353	3.121	10	20	DGCD	
Cc1cc(C)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1	173191528	XHDPOUUAWCNUBM-UHFFFAOYSA-N	310.397	3.409	10	20	DGCD	
CC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	120211853	FCGHNHZKQPYICE-GFCCVEGCSA-N	324.371	3.173	10	20	DGCD	
C[C@H]1CCCCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	315515379	ZRMHGIPTEHTRKI-CRALRDPISA-N	304.346	3.462	10	20	DGCD	
C[C@H]1CCN(C(=O)c2cccc3c2CCNC3)c2ccccc21	323662132	USFIKYYOTBLSLE-AWEZNQCLSA-N	306.409	3.486	10	20	DGCD	
CC[C@H](NCCNC(=O)c1ccc(C)cc1)c1ccccc1O	193911797	GJZYSXLPRHYIEC-KRWDZBQOSA-N	312.413	3.171	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC[C@H](O)C1	191364524	WSVYLBAXSLGRHS-KBPBESRZSA-N	318.442	3.046	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	90891321	UWYOEDWRGMCKHJ-IFXJQAMLSA-N	316.420	3.450	10	20	DGCD	
COC(=O)c1coc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c1	278758214	OJDIXKXWUNJXMO-NSHDSACASA-N	320.364	3.122	10	20	DGCD	
CCCC[C@@H](NCc1ccc(OC)c(COCC)c1)C(=O)OC	274847604	AMFVJXNKPOBFPG-MRXNPFEDSA-N	323.433	3.053	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1	271233940	CWHZSMZKBOQJGL-ZWKOTPCHSA-N	314.429	3.434	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC(c2cn[nH]c2)CC1	365256603	OHXMOZCFUNOOPX-UHFFFAOYSA-N	309.772	3.287	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1ccn(C)c1	277133144	UPGWPKJXKDCHAG-DHZHZOJOSA-N	311.429	3.153	10	20	DGCD	
CCc1cccnc1C(=O)NCc1ccc(N2CCCC2)cc1	271014757	ZOACERHPEVRZJS-UHFFFAOYSA-N	309.413	3.174	10	20	DGCD	
CC(C)N1C[C@H](N[C@H](C)c2ccc3ccccc3c2O)CC1=O	273449184	FOSOMCYAKPMEMF-UKRRQHHQSA-N	312.413	3.205	10	20	DGCD	
CCN(Cc1ccccc1)C(=O)CN[C@H]1CCc2cccc(O)c21	297651723	KEVDJAXVUBHCTC-KRWDZBQOSA-N	324.424	3.018	10	20	DGCD	
CC(C)c1scnc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	291799972	ZEDJFTDGKXJKFH-SNVBAGLBSA-N	320.414	3.039	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cn(C(C)C)nn1	291492582	GUNUJEMJGBIVFL-UHFFFAOYSA-N	300.406	3.211	10	20	DGCD	
CCN(C)C(=O)c1cccc(NCc2cc(OC)ccc2O)c1	809726858	WMAGCFDXIWMVLI-UHFFFAOYSA-N	314.385	3.105	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)CCC(C)C)C2)cc1	819580667	MVNDEQGOIRFSLZ-HNNXBMFYSA-N	304.434	3.074	10	20	DGCD	
CC(C)C[C@H]1COCCN1Cc1cc(Cl)c(F)cc1O	816509450	PZSQQVPJAXPFHF-LBPRGKRZSA-N	301.789	3.432	10	20	DGCD	
CC(C)[C@@H](CO)CN[C@H](C)c1cccc(C(F)(F)F)c1O	815626247	ZHYBNXQFEMRASP-GHMZBOCLSA-N	305.340	3.326	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCOC[C@H]1c1ccco1	816509185	GVWRIDZMLIDDDN-ZDUSSCGKSA-N	311.740	3.351	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@](C)(O)C2CCC2)cc1	813389057	RPZRGGPYLWYJRP-IBGZPJMESA-N	318.461	3.042	10	20	DGCD	
C[C@@H]1CCCN(c2ccc(CN[C@H](C)C3CNC3)cc2Cl)C1	817932733	XKSUHXQOGNIFPY-ZIAGYGMSSA-N	321.896	3.274	10	20	DGCD	
CC(C)[C@H](CCO)N[C@H](C)c1cccc(C(F)(F)F)c1O	815584151	WUEMOLCHDAJOLT-MFKMUULPSA-N	305.340	3.469	10	20	DGCD	
Oc1ccccc1CN(Cc1cnc2n1CCC2)C1CCCC1	824778256	RDNGEGKBOBZLMQ-UHFFFAOYSA-N	311.429	3.480	10	20	DGCD	
CO[C@H](CNC(=O)N(C)Cc1ccccc1O)C1CCCCC1	823678378	IKRGBBGRKSHTKF-QGZVFWFLSA-N	320.433	3.129	10	20	DGCD	
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(Cl)c1O	824861505	MKCWDZFNOPOUFU-OCCSQVGLSA-N	311.809	3.257	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1nc(CC(C)C)no1	821853646	VZKPYRIZAOCKBG-UHFFFAOYSA-N	301.390	3.230	10	20	DGCD	
C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCN(C2CC2)C1	824445587	GEJLRVHRGJDNCW-NSHDSACASA-N	312.816	3.101	10	20	DGCD	
C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1N)c1cc(Cl)ccc1O	902435138	AEGGTAZZGJDFKL-IGGJQXEISA-N	302.805	3.321	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CC[C@H]1CC1(Cl)Cl	830141756	XWZFOXHDWOVKJX-NSHDSACASA-N	302.201	3.325	10	20	DGCD	
C[C@@H](NCCC1(CO)CC1)c1cccc(C(F)(F)F)c1O	834896262	JCTAVEWMVZOZIU-SNVBAGLBSA-N	303.324	3.224	10	20	DGCD	
Cc1c[nH]cc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731016434	QSKXSVQEIGHNOX-UHFFFAOYSA-N	311.429	3.489	10	20	DGCD	
C[C@@H](NCc1cnn(CC2CCC2)c1)c1c(O)cccc1F	903240621	VUSXYZULLFTVIW-GFCCVEGCSA-N	303.381	3.379	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@H](C)C1	734526791	UHRJQHIYZFUYSC-XJKSGUPXSA-N	303.450	3.439	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCCc2c(F)cccc21	748564461	IQAWKYZKKIVLLC-SREVYHEPSA-N	300.308	3.352	10	20	DGCD	
COc1ccc(NC(=N)NCc2ccccc2O)cc1Cl	849058730	PQAXFCAEOQVLJT-UHFFFAOYSA-N	305.765	3.191	10	20	DGCD	
CCCN(Cc1cc(Cl)c(F)cc1O)[C@H]1CCN(C)C1	843421861	IOQWCTNAWPVBNY-LBPRGKRZSA-N	300.805	3.101	10	20	DGCD	
C[C@H](N[C@@H]1CCS[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1	842926894	AVYOJJGSRFBQHI-WOSRLPQWSA-N	324.465	3.207	10	20	DGCD	
CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(N)cc2)o1	841296794	ZAJHRWGQIRMVGI-HNNXBMFYSA-N	315.373	3.030	10	20	DGCD	
CCN(C)c1ccc(CN2Cc3ccccc3[C@H](C(=O)O)C2)cc1	846271678	XBQOCXJGUGCAQM-LJQANCHMSA-N	324.424	3.327	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]([C@@H]3CCCNC3)C2)c1O	843127248	PBTIIIGFNADPBC-CVEARBPZSA-N	318.461	3.003	10	20	DGCD	
CC(C)(CCN1CCCCCC1)NC(=O)Nc1ccc(N)cc1	841296109	OWYHIOCFPYGGPO-UHFFFAOYSA-N	318.465	3.435	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2COc3cc(F)ccc3C2)cc1C	850381918	LERLOVPRQMJRAX-INIZCTEOSA-N	301.361	3.241	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCC(C)(C)[C@@]2(O)CCCOC2)c(O)c1	850561032	HMUCOPNKYJXVOA-HNAYVOBHSA-N	321.461	3.227	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1O	756374159	YJEHVHQMAXFHCC-JTQLQIEISA-N	321.323	3.292	10	20	DGCD	
C[C@H](N[C@H](CCO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O	756660178	KJIGIIVNAKOEEU-BLLLJJGKSA-N	322.405	3.282	10	20	DGCD	
Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CC2)c(O)c1O	751535693	SWFRCUPMBNIRLY-UHFFFAOYSA-N	315.344	3.007	10	20	DGCD	
Cc1nc2c(c(N[C@H](C)Cc3ccc(O)c(O)c3)n1)CCCC2	762800619	UDMQCTSQEPCDIE-LLVKDONJSA-N	313.401	3.118	10	20	DGCD	
COc1ccc(N(C)Cc2c(O)cccc2OC)cc1OC	761221348	IZXDGBYCPZZFNX-UHFFFAOYSA-N	303.358	3.054	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)cc1	769514291	IUHPXLHSQTWUQL-ROUUACIJSA-N	302.462	3.391	10	20	DGCD	
COc1ccc(CNC(C)(C)C(=O)NCC2CCCC2)cc1C	771200932	FAVWLXVFOCMELE-UHFFFAOYSA-N	318.461	3.178	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1	773008891	HYTOZXRMKCYDGS-CABZTGNLSA-N	301.217	3.124	10	20	DGCD	
COC(=O)c1ccc2c(c1)CN(Cc1cccc(Cl)c1O)C2	775685351	IGUGNFRTDJNPSJ-UHFFFAOYSA-N	317.772	3.348	10	20	DGCD	
COCCN(CC(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776239574	UOLPSWFVWUKKRZ-HNNXBMFYSA-N	321.465	3.128	10	20	DGCD	
COC[C@H](C)N[C@H](C)c1cc(Br)cc(C)c1O	779001424	RQKQAEAJMKKXLA-VHSXEESVSA-N	302.212	3.149	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@](O)(c2ccc(F)cc2)C1	777438915	SLQFWAAJXYNHMC-QGZVFWFLSA-N	321.779	3.278	10	20	DGCD	
Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)n1	779535455	XICUQWNLUJDLSS-DZZUKKPASA-N	324.380	3.178	10	20	DGCD	
CCC(C)(C)CC(=O)NCCNCc1ccc(OC)c(C)c1	1128148896	VZQNNJIJJHUQNM-UHFFFAOYSA-N	306.450	3.036	10	20	DGCD	
Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(F)cc(F)c1O	894093003	ATFNBTKLWKIZGL-HNNXBMFYSA-N	307.344	3.049	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1C(=O)NCCNCc1ccc(OC)c(C)c1	1133442820	JXUPCFYMPIYVKA-SJORKVTESA-N	318.461	3.036	10	20	DGCD	
CCOC(=O)c1cccc(Sc2ncc([N+](=O)[O-])s2)c1	799960200	DHNROWOZPWZCIX-UHFFFAOYSA-N	310.356	3.379	10	20	DGCD	
CC(C)[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N)cc1	1336162236	BHFJDEQGNJTLPL-GOSISDBHSA-N	311.429	3.335	10	20	DGCD	
CCCCN(Cc1cc(C(=O)O)n(C)c1)Cc1ccccc1O	1609970569	JJXXBPDBLZZDTK-UHFFFAOYSA-N	316.401	3.231	10	20	DGCD	
Cc1ccc(O)c(CNCc2cc(C(=O)O)c(C(C)C)[nH]2)c1	1600465193	RMTPOFYOIKYNTM-UHFFFAOYSA-N	302.374	3.140	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1nc(C(=O)O)cs1	1599628053	FHQKXQLRMLJVTI-UHFFFAOYSA-N	318.398	3.193	10	20	DGCD	
CCN1CCCc2cc(CN[C@H]3CCC[C@@H](C(=O)O)C3)ccc21	1776876073	QQBZLLBBLXAPKS-SJORKVTESA-N	316.445	3.192	10	20	DGCD	
CCCN(Cc1ccccc1O)c1nc(C)ccc1C(=O)O	1776813201	YXYSVHLNBNIAOD-UHFFFAOYSA-N	300.358	3.210	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@@H](CN3CCCCC3)C2)c1	164408998	URYFBCPKPLKMLP-KRWDZBQOSA-N	302.462	3.317	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1ccn(C)n1	839192467	UAYXJCUZBGORJA-QMMMGPOBSA-N	300.189	3.283	10	20	DGCD	
Cc1nc(Cl)sc1C(=O)NCc1ccc(N(C)C)cc1	176972303	FULIFIIIDOXYPR-UHFFFAOYSA-N	309.822	3.101	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N(C)Cc2ccc(N(C)C)cc2)s1	112270564	WRBIDIUTQMVBLJ-MDZDMXLPSA-N	315.442	3.189	10	20	DGCD	
CCOc1ccc(CN(C)C(=O)CSc2nccs2)cc1	60760001	QODFEAFLMYPDIP-UHFFFAOYSA-N	322.455	3.293	10	20	DGCD	
CNC(=O)C(C)(C)CN[C@H](C)c1ccc(N2CCCCC2)cc1	183222121	VQZHPNOKMDCGED-OAHLLOKOSA-N	317.477	3.100	10	20	DGCD	
CC[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	122840197	RSBAVBBDWMEUEB-CQSZACIVSA-N	301.434	3.011	10	20	DGCD	
CCOc1cccc(CNc2ccccc2OCCOC)c1O	123193499	HFNLRUWYVZMNOB-UHFFFAOYSA-N	317.385	3.428	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccnc1Cl	120566730	QXHRTUXJSISYEM-UHFFFAOYSA-N	304.777	3.493	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)Cc2cccc(C)n2)c1O	316474463	VXDGFWWWDPBFNJ-UHFFFAOYSA-N	302.349	3.069	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2CCC[C@@H]2C1	121504332	KDJVETJNFOKAFQ-IAGOWNOFSA-N	311.429	3.004	10	20	DGCD	
CCn1ncc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc21	182251439	YQXVBASPEZTPNX-UHFFFAOYSA-N	311.341	3.028	10	20	DGCD	
CCC1=C(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCCO1	189553389	YANWIIFYYLUKEK-NSHDSACASA-N	305.374	3.053	10	20	DGCD	
CC(C)(C)CCNCc1ccc(N2CCC(CO)CC2)cc1	187710040	LQHCCHPSEARPSE-UHFFFAOYSA-N	304.478	3.421	10	20	DGCD	
CCCN(CC(=O)N(C(C)C)C(C)C)Cc1ccccc1O	130728576	OQJZYAYVCTVLMG-UHFFFAOYSA-N	306.450	3.250	10	20	DGCD	
CC(C)[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCS1	93869196	OKZDYJALWNHTNW-GOSISDBHSA-N	320.502	3.097	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC(F)(F)C[C@@H]2C)c1O	528769776	SRDXWEYTLKDFAW-VIFPVBQESA-N	301.308	3.354	10	20	DGCD	
Cc1c(CNCc2cnn3ccccc23)n(C)c2ccccc12	355131804	MIKVBQHVYKKAGT-UHFFFAOYSA-N	304.397	3.424	10	20	DGCD	
OC1CCN(c2ccc(CNC(C3CC3)C3CC3)cc2F)CC1	268846137	OQEZGSPGZMKVML-UHFFFAOYSA-N	318.436	3.065	10	20	DGCD	
CN(C)C[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)C1	271177721	KSSSFMUQZYDWEB-INIZCTEOSA-N	310.441	3.443	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@]2(C)CCO[C@H]2C2CC2)c1O	273049013	JZDIGYHKSYAKJN-DLBZAZTESA-N	323.820	3.295	10	20	DGCD	
CCN(CCCO)C(=O)c1sccc1-n1c(C)ccc1C	270143235	DWZGAFSITWLMED-UHFFFAOYSA-N	306.431	3.000	10	20	DGCD	
COCc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)c1	273540921	YHLYNGOXCIYOPI-GFCCVEGCSA-N	315.369	3.498	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCc2c[nH]nc2C1	374541763	QCKCWHQTLRBJFZ-NSHDSACASA-N	312.200	3.069	10	20	DGCD	
Oc1cc2c(cc1CNCc1cc(C3CC3)ccc1F)OCO2	295160737	SFXVHRQOBXEDMK-UHFFFAOYSA-N	315.344	3.427	10	20	DGCD	
Cc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)cc1O	473259327	UHKBNPPNWGEMAA-UHFFFAOYSA-N	308.381	3.431	10	20	DGCD	
Cc1ccccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F	808114445	YRSTVYQZHCMSBT-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCc3ccccc3OC2)c1	800987149	QUTLMRDAVWQYHE-UKRRQHHQSA-N	313.397	3.445	10	20	DGCD	
CCOc1ccc(CNc2ccc(F)c(NC(N)=O)c2)c(O)c1	814300395	LJAWQYJICYXYHE-UHFFFAOYSA-N	319.336	3.033	10	20	DGCD	
O=C(c1ccccc1)c1ccc(O)c(CN2C3CCC2CC3)c1O	728195919	UHGTYJBUKNTPJZ-UHFFFAOYSA-N	323.392	3.456	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@@H]3CC=CCC3)CC2)cc1	726560831	REOLOEACACGCGG-OAHLLOKOSA-N	314.429	3.137	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC3CC4(CCC4)C3)C2)cc1	822494052	FHEYFXIDDMOJGK-OAHLLOKOSA-N	300.446	3.444	10	20	DGCD	
Cc1cc(O)c(CN(C)CCCn2ccnc2C)cc1Cl	825928250	PFOZKDAKKVVQJU-UHFFFAOYSA-N	307.825	3.381	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCCc3c2cnn3C)cc1Cl	825108228	QSYXCXFAKUAXMQ-CQSZACIVSA-N	305.809	3.255	10	20	DGCD	
Cc1cccc(C)c1CN(C)Cc1cc2c(cc1O)OC[C@H]2O	904439603	OQCPTKFJBRQZPJ-GOSISDBHSA-N	313.397	3.067	10	20	DGCD	
CC[C@H](Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1ccccc1O	825000053	VLTHWRNTCUNHLO-YJBOKZPZSA-N	312.369	3.180	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1CCSC1=O	839971260	YGLNGMNPJBGUFE-UHFFFAOYSA-N	307.463	3.089	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ncccc1C	839920095	KQAIDAFSZAFDRY-OAHLLOKOSA-N	311.429	3.125	10	20	DGCD	
CC[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccccc1O	839540996	QDILYQPEJPKNPS-DOTOQJQBSA-N	310.397	3.386	10	20	DGCD	
C[C@@H](N[C@@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1O	841761655	QQNQVGWETGHRSH-BDJLRTHQSA-N	314.341	3.223	10	20	DGCD	
COc1cc(O)c(CN2CCSC3(CCC3)CC2)cc1OC	840173354	AJYKFHFLKWIAGT-UHFFFAOYSA-N	323.458	3.271	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(CCN)CC2)cc1F	844911144	LKKGSKZCXMDYAW-UHFFFAOYSA-N	307.457	3.233	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)C1CC1	840243892	QGBPMJXENKBUET-KBPBESRZSA-N	303.450	3.090	10	20	DGCD	
COc1cccc([C@@H](C)NCc2c(C)cc(C)nc2OC)c1O	846142921	BWTBAXTVIFYQPV-CYBMUJFWSA-N	316.401	3.272	10	20	DGCD	
Cn1c(C(=O)NCc2ccccc2O)ccc1-c1ccc(F)cc1	749267144	FGLRDDYTWSPEJL-UHFFFAOYSA-N	324.355	3.467	10	20	DGCD	
CNCc1ccc(NCc2cc(Cl)cc(OC)c2O)cc1	841070412	DCURFPZVLPLVOM-UHFFFAOYSA-N	306.793	3.386	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CCn2cccc2)C2CC2)cc1	746117427	CMXFYKODWCLIMD-UHFFFAOYSA-N	311.429	3.135	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)C[C@@H]2C)cc1	740906960	KGGFSQGUGVYODQ-CABCVRRESA-N	303.450	3.473	10	20	DGCD	
CCc1nnc(NCc2cc(OC)cc(C(C)(C)C)c2O)o1	849346455	VTBAPDPJJWFFBU-UHFFFAOYSA-N	305.378	3.256	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)OCCc2ccccc2)c1	859007308	ZLCTYJMJMLHOJE-ZDUSSCGKSA-N	315.369	3.431	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)OCC1CC1	920818161	BJPGMRRICLVPOW-HNNXBMFYSA-N	318.461	3.305	10	20	DGCD	
CCCC[C@](C)(F)C(=O)N1CCN(c2ccc(OC)cc2)CC1	854199281	ZIYRTBCBJNOENF-SFHVURJKSA-N	322.424	3.262	10	20	DGCD	
CO[C@](C)(C(=O)NCc1cc(Cl)ccc1O)c1ccccc1	857547891	ZBPYCOAHVOFUCS-KRWDZBQOSA-N	319.788	3.224	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(CCc3ccccc3)CC2)c1	768216212	RBFYEPCNNWQYFP-UHFFFAOYSA-N	310.441	3.061	10	20	DGCD	
COC[C@@H](CC(C)C)N[C@@H](C)c1ccc(N2CCOCC2)cc1	765331703	TZGBPCWDUMFFFO-FUHWJXTLSA-N	320.477	3.235	10	20	DGCD	
CC(C)n1cc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)cn1	868244015	QJFVMNZDFQICFU-CHWSQXEVSA-N	316.405	3.291	10	20	DGCD	
CCN(C)c1ccc(CN2CCOC[C@H]2c2cccn2C)cc1	1116821359	OWULXCXQPWRZMK-IBGZPJMESA-N	313.445	3.055	10	20	DGCD	
CCOC(=O)C[C@](C)(NCc1ccc2c(c1)CCO2)C(C)C	775375816	WXOIIRREWKKZCS-SFHVURJKSA-N	305.418	3.079	10	20	DGCD	
COC(=O)c1ccc2c(c1)CN(Cc1cccc(C)c1O)CC2	779600333	ZHSVTZYJDYZQJF-UHFFFAOYSA-N	311.381	3.046	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1cncc(F)c1)c1ccc(N(C)C)cc1	775402757	CJCJEEPRZJMHRF-FAFAAHBOSA-N	313.376	3.177	10	20	DGCD	
CC[C@H](C)CNCc1ccc(N2CCN(CC)CC2)c(F)c1	771828741	BPVPLFGAPMYBAV-HNNXBMFYSA-N	307.457	3.103	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(C2CC2)c1	783049026	CKIVUYQPLAKJQL-UHFFFAOYSA-N	309.413	3.263	10	20	DGCD	
CN(Cc1occc1Br)c1ccc2c(c1)OCO2	780778686	OBYYTSCEQHIEFB-UHFFFAOYSA-N	310.147	3.407	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@](C)(O)CC2)c1	794672851	PWOSOJBPGFZXRS-GOSISDBHSA-N	307.434	3.132	10	20	DGCD	
COc1ccc(CNC(=O)Nc2c(C)cccc2OC)c(O)c1	797650066	BLMGKSRIKPGLOH-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@H]1CCCN1C1CCCCC1	798088233	KPBZYSHLOITUFK-QGZVFWFLSA-N	306.425	3.418	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CN1CCCOCC1	708134739	UCXDKPKLMDUVQU-UHFFFAOYSA-N	320.614	3.030	10	20	DGCD	
CCc1cccc(CNC[C@@H]2CCN2Cc2ccccc2)c1O	716299085	RDEWSKPDHMIXNR-IBGZPJMESA-N	310.441	3.319	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3ccc(N4CCCC4)cc3)CC[C@H]21	1319730167	WOQUDHPMOHXMCT-AZUAARDMSA-N	313.489	3.203	10	20	DGCD	
CCC1CCN(c2nnc(-c3sccc3O)n2CC)CC1	1356277556	LHWOGPZAXBEBKF-UHFFFAOYSA-N	306.435	3.359	10	20	DGCD	
O=C(O)CN(Cc1ccc(Cl)cc1)Cc1cccc(F)c1O	1602059487	RWLKQDKMPRODJF-UHFFFAOYSA-N	323.751	3.272	10	20	DGCD	
C[C@@H](NCc1cc(C(=O)O)ccc1F)c1ccc(N(C)C)cc1	1609779537	LMMMZOWNXCZSCR-GFCCVEGCSA-N	316.376	3.441	10	20	DGCD	
CN(C)c1ccc(CNc2nc(Cl)c(C(=O)O)s2)cc1	1610104755	FCYXVUWGHLNFFH-UHFFFAOYSA-N	311.794	3.173	10	20	DGCD	
CC[C@@H](C)C[C@@H](NCc1cc(Cl)cc(OC)c1O)C(=O)O	1594954322	XUQHDADMHXJFKP-BXKDBHETSA-N	315.797	3.033	10	20	DGCD	
C[C@@H](NCc1ccc(C(=O)O)cc1F)c1ccc(N(C)C)cc1	1593297384	UQJKIPQUVNUYKD-GFCCVEGCSA-N	316.376	3.441	10	20	DGCD	
CCN1CCCc2cc(CNC(CC)(CC)C(=O)O)ccc21	1776875858	PMRFOPWIZBBLKL-UHFFFAOYSA-N	304.434	3.192	10	20	DGCD	
COc1cc(O)c(CN(C)CCc2cccs2)cc1OC	160309826	YKYPRMNKFJGIIE-UHFFFAOYSA-N	307.415	3.145	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1ccc2ccccc2c1	166570929	KKPONFYGALYAJX-UHFFFAOYSA-N	317.341	3.485	10	20	DGCD	
CCOC(=O)CC1CCN(Cc2c(O)cccc2Cl)CC1	159082634	KMGZODRNUNCIOU-UHFFFAOYSA-N	311.809	3.211	10	20	DGCD	
CCc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)cc1	109769848	DIUVNFQKEMPESI-CQSZACIVSA-N	312.413	3.414	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccoc2)cc1F	66927097	OFLAUNSPCLELTK-UHFFFAOYSA-N	319.380	3.264	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)c2cccc(Cl)c2)c1	305755132	AJHDLRMSHYTKFB-DIFFPNOSSA-N	321.804	3.438	10	20	DGCD	
C[C@H](Nc1nc(N)c2ccccc2n1)c1ccc(N(C)C)cc1	302463570	VNAXIKJOKSHSOD-LBPRGKRZSA-N	307.401	3.451	10	20	DGCD	
O=C1/C(=C\c2cccs2)SC(=S)N1Cc1ccon1	178017990	OCQJLKNXKPJBGR-UXBLZVDNSA-N	308.409	3.138	10	20	DGCD	
Cc1nsc(N(Cc2ccco2)Cc2ccccc2O)n1	301994968	HDUJYLDZJBZGOE-UHFFFAOYSA-N	301.371	3.352	10	20	DGCD	
CC(C)c1noc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	301316927	AJRUYZAAKAPJJI-ZDUSSCGKSA-N	316.405	3.203	10	20	DGCD	
C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1cc(F)ccc1O	186095362	IBPJDTUOGOCYCO-WSVYEEACSA-N	307.390	3.120	10	20	DGCD	
CC(C)[C@@H]1CCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	316656089	WIQYJKMDQIGLEN-CFNZNRNTSA-N	304.346	3.317	10	20	DGCD	
COc1cccc(CN2CC[C@H](Oc3cccc(F)c3)C2)c1O	183212047	GTRQSQRMHLODAT-INIZCTEOSA-N	317.360	3.193	10	20	DGCD	
O=C1/C(=C\c2ccc(F)nc2)SC(=S)N1c1cccnc1	186383954	LXPDNSNOCXFCHQ-IZZDOVSWSA-N	317.370	3.022	10	20	DGCD	
COCc1ccccc1CN[C@@H](C)c1cc(OC)ccc1O	193893706	DFIWVKCEVGOTPB-ZDUSSCGKSA-N	301.386	3.398	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H](C(C)(C)C(=O)O)C2)c1O	321985435	DCCICAMHJCDZBC-AWEZNQCLSA-N	321.417	3.114	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OCC(=O)NCC3CCC3)cc12	421195990	IPVNHCOTUZYXQQ-UHFFFAOYSA-N	300.402	3.090	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1	237911963	KGMGBBBQOULDPG-OAHLLOKOSA-N	316.401	3.304	10	20	DGCD	
Cc1c(CNC(=O)CC[C@H]2CCCO2)n(C)c2ccccc12	348656938	BAPJFSQQHDONRQ-CQSZACIVSA-N	300.402	3.062	10	20	DGCD	
CC[C@@H](CN[C@@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	296571287	SWXIDACTFLHHCO-UONOGXRCSA-N	320.433	3.272	10	20	DGCD	
CCc1cccc2c1OCC[C@@H]2NC(=O)Cc1ccc(N)cc1	269210257	BUIDTBLAYCGVIB-KRWDZBQOSA-N	310.397	3.014	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCCC3(CCOCC3)C2)c1O	267473939	ZWYGJXZIJVCUMN-UHFFFAOYSA-N	321.392	3.127	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H](CO)Cc2ccc(F)cc2)c(O)c1C	273355762	CNMDATWAIXVIRY-WMLDXEAASA-N	317.404	3.402	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](CC)c2ccccc2O)[C@]12CCCO2	364338592	BDAVBMJSUJENQV-BZZMCLGOSA-N	305.418	3.160	10	20	DGCD	
CN(c1ccc(CNC(=O)c2cncnc2)cc1)C1CCCCC1	273597313	FBGSARYHUBXMJI-UHFFFAOYSA-N	324.428	3.176	10	20	DGCD	
COC1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1	279741477	XBXFMIDAOZLYFI-UHFFFAOYSA-N	316.367	3.382	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC(F)(F)C1	277203790	MTWPEMYTBORZFM-UHFFFAOYSA-N	311.376	3.082	10	20	DGCD	
CCCOc1ccc(CNCC[C@H](O)c2ccccc2)c(O)c1	289406915	HFRCQZXUJWWCFL-SFHVURJKSA-N	315.413	3.394	10	20	DGCD	
CCCN(Cc1cnc([C@H](C)O)s1)Cc1ccccc1O	289368184	OTVSZNRGYIQJPH-LBPRGKRZSA-N	306.431	3.314	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCOC[C@@H]2CCCO2)c1O	808695050	DTJVQXRVVWZUDU-OCCSQVGLSA-N	313.825	3.200	10	20	DGCD	
COC(=O)c1cccc(CNCc2cccc(Cl)c2O)c1	809730631	WIEUYZMFPUKDRO-UHFFFAOYSA-N	305.761	3.122	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCCO1	802230133	YTFNOANAOHMFAX-SFHVURJKSA-N	320.433	3.273	10	20	DGCD	
CC[C@@H](NCC(F)(F)CO)c1cc(Cl)cc(Cl)c1O	806157727	AYAMSNNEWDKTRY-SNVBAGLBSA-N	314.159	3.367	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1cnn(C)c1	801550013	LCVBRRYILWKLPO-CQSZACIVSA-N	315.417	3.058	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])c[nH]1	800914508	WYNKQGKCJONJNJ-UHFFFAOYSA-N	317.345	3.071	10	20	DGCD	
C[C@@H]1C[C@H](N2CCCC2)CN1Cc1c(O)ccc(Cl)c1F	809703675	OIFZJOHYJQCPCE-NEPJUHHUSA-N	312.816	3.243	10	20	DGCD	
CC(=O)C(=O)COC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2	808484906	LKSADFUIKOJVNU-LBPRGKRZSA-N	322.426	3.214	10	20	DGCD	
Cc1cc(C(=O)NC2CCSCC2)c(C)n1-c1ccccn1	299646763	VGEVUCGNTFMTOP-UHFFFAOYSA-N	315.442	3.115	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCCO1	802230132	YTFNOANAOHMFAX-GOSISDBHSA-N	320.433	3.273	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)CCc3cnn(C)c3)cc12	817761963	QMRPJLGHDSHXKM-UHFFFAOYSA-N	311.385	3.067	10	20	DGCD	
CCC(C)(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	726776649	YKLZDUMFJKMQSW-UHFFFAOYSA-N	304.434	3.216	10	20	DGCD	
CC1=CC(C(=O)Nc2ccc(N=S(C)(C)=O)cc2)=S=C1C	820378575	LDBCVULWHYUMKY-UHFFFAOYSA-N	322.455	3.042	10	20	DGCD	
CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1ccc(O)c(O)c1	821070848	OQDCGVWQZQOZOM-INIZCTEOSA-N	313.397	3.291	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@]3(C(=O)O)C2)cc1	901526570	WYIRIFIJQYNGAT-LPHOPBHVSA-N	316.445	3.220	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCCC[C@H]2CC(=O)O)c1	736294684	NWAIHJOWBNMLMQ-AWEZNQCLSA-N	321.417	3.225	10	20	DGCD	
C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	733806637	GMTDNZZYXNRQRA-UONOGXRCSA-N	322.474	3.180	10	20	DGCD	
CSCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	737055820	KWYXGBJRCQCPIM-UHFFFAOYSA-N	321.490	3.180	10	20	DGCD	
Cc1cc(CN2CC[C@](C)(C(=O)O)C2)c(O)c(C(C)(C)C)c1	832883640	XLXSUSCXRHFASE-SFHVURJKSA-N	305.418	3.295	10	20	DGCD	
Cc1csc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	836581828	SICSCQVFEMYHCT-UHFFFAOYSA-N	317.458	3.464	10	20	DGCD	
CC[C@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(C)cc1O	834828370	SINYZIFLFYPPSS-AEFFLSMTSA-N	317.404	3.484	10	20	DGCD	
O[C@@H]1CCC[C@H]1NCc1ccc2c(c1)CCN2Cc1ccccc1	835081917	MUJUNSODZAWNFQ-TZIWHRDSSA-N	322.452	3.252	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(F)cc1O	834894728	UHPSUMMCWPZGME-PNPHSEOMSA-N	316.376	3.497	10	20	DGCD	
O=C(Cn1ccc2ccc(Cl)cc21)NCc1ccccc1O	748345845	DSLNVLDWXMSQBI-UHFFFAOYSA-N	314.772	3.317	10	20	DGCD	
CCc1cccc(CNC[C@@H](c2ccc(F)cc2)N(C)C)c1O	848894442	LUBGZMHVESIEAI-SFHVURJKSA-N	316.420	3.486	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1CCc2ccccc2C1	846475225	AGPZOVKZLIGRAC-AWEZNQCLSA-N	315.800	3.467	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCC[C@@H](C3CC3)C2)cc1	841045810	QOHAQUJQWVHQDV-ZIFCJYIRSA-N	301.478	3.311	10	20	DGCD	
CCc1cccc(CN[C@H](C)[C@H](O)c2ccc(F)cc2)c1O	848896495	BQFUMVDHCASCPR-PXAZEXFGSA-N	303.377	3.305	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccnn2CC(C)C)c1	845970598	ACRXFJYKUXYFNC-ZDUSSCGKSA-N	303.406	3.104	10	20	DGCD	
CC[C@H](COCC(F)(F)F)N[C@H](C)c1cccc(OC)c1O	846169321	GVBVYNFMRPNJKT-GHMZBOCLSA-N	321.339	3.409	10	20	DGCD	
CCOc1cccc(CN(C)C(C)(C)CN2CCCC2)c1O	841893072	DMYZPSAOWILZSP-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
CC(C)(C)c1ncc(C(=O)NCc2cc(Cl)ccc2O)cn1	846477474	RGBQLDNZVSTAKV-UHFFFAOYSA-N	319.792	3.063	10	20	DGCD	
CNCCC1CCN(Cc2c(O)ccc(Cl)c2F)CC1	843057119	BWADMGFSBIGAPN-UHFFFAOYSA-N	300.805	3.006	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCn4ccnc43)c2C)c1	913672863	HFWHHBUHJBALBJ-UHFFFAOYSA-N	320.396	3.259	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc(NC(C)=O)cc2)c1O	846136323	KMZFKRPAENYOJI-GFCCVEGCSA-N	314.385	3.210	10	20	DGCD	
COCCOCCCCN[C@@H](C)c1ccc(Cl)cc1O	841748076	VXPPBMKXVSXRSA-LBPRGKRZSA-N	301.814	3.139	10	20	DGCD	
COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1	914846563	PJTDTPREAFEKOB-UHFFFAOYSA-N	322.368	3.145	10	20	DGCD	
C[C@H](CCC1CCCCC1)NC(=O)C(=O)Nc1ccc(N)cc1	841038907	UIDBXVJCBCUJSO-CYBMUJFWSA-N	317.433	3.073	10	20	DGCD	
C[C@H](CCc1ccc2c(c1)OCO2)NCCc1ccc(N)cc1	841034200	GNQBCSPRSAIKEL-CQSZACIVSA-N	312.413	3.151	10	20	DGCD	
C[C@H](N[C@@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)cc1	840854861	HCVBOPBCJQBEMF-YCPHGPKFSA-N	306.475	3.068	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](n2cc(Cl)cn2)C1	840948256	SEVNFSZYLPQLDU-QGZVFWFLSA-N	318.852	3.358	10	20	DGCD	
CCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)Cc1occc1C	840969699	JOLWCAAOLZOYCV-UHFFFAOYSA-N	320.345	3.233	10	20	DGCD	
CCc1cccc(CNc2ccc(C(=O)NC3CC3)cc2)c1O	848910578	MTTHVZKNTCDAQS-UHFFFAOYSA-N	310.397	3.459	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc3cnn(C)c3c2)c1O	846169294	GLBLCLDKBXFKFZ-GFCCVEGCSA-N	311.385	3.138	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@H]1C1CC1	840491144	NWOCFMIQWKMGON-WSQYCBKMSA-N	301.386	3.054	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](O)c2cccc(C)c2)c1O	846156599	NHSIUHCISVCJGD-BBRMVZONSA-N	301.386	3.093	10	20	DGCD	
COc1ccc(CN2CCCc3cc(CN)ccc32)c(F)c1	844902664	RYJWFMNWPBDZHA-UHFFFAOYSA-N	300.377	3.246	10	20	DGCD	
CC[C@@H](C)NC(=O)[C@H](C)N(C)Cc1ccc(N(CC)CC)cc1	857757940	XQBPYXZWVCXMOD-CVEARBPZSA-N	319.493	3.268	10	20	DGCD	
C[C@H](N[C@H](C)C[C@H](O)c1ccco1)c1cc([N+](=O)[O-])ccc1O	756678119	UWHLHIGWZHVGGI-ZETOZRRWSA-N	320.345	3.056	10	20	DGCD	
COC(=O)c1coc(CN(C)c2ccc(OC(C)C)cc2)c1	759934444	VKMFITYWAYYJML-UHFFFAOYSA-N	303.358	3.490	10	20	DGCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C	758320852	ZMKOERFHWOABSG-YCPHGPKFSA-N	303.450	3.377	10	20	DGCD	
COc1ccc(N2CCN(c3nc(C)c(C)s3)CC2)cc1	756954590	JXVMOXJICKKDJV-UHFFFAOYSA-N	303.431	3.095	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc(F)c(C)c1	857713927	WZRLOGMZLZJSHU-UHFFFAOYSA-N	302.349	3.287	10	20	DGCD	
CC[C@]1(C)CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	758728359	GWPFJRUGSIPEBO-LJQANCHMSA-N	315.461	3.401	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H]2C[C@H](OC(C)C)C2(C)C)c1	766089351	QIYJDPUXVMTXMM-IRXDYDNUSA-N	307.434	3.473	10	20	DGCD	
COCCOCc1ccc(CNCc2ccc(C)cc2O)cc1	877542268	RDFXGYWIDDRFGD-UHFFFAOYSA-N	315.413	3.153	10	20	DGCD	
Cc1ccc(CN2CCC(Oc3ccncc3C)CC2)c(O)c1	877481333	DPGXGXNQUFFWAX-UHFFFAOYSA-N	312.413	3.447	10	20	DGCD	
CCNC(=O)[C@H](C)N[C@@H](CC)c1ccc(Cl)c(Cl)c1O	775485226	QRSIGUQQYKBZQM-KWQFWETISA-N	319.232	3.264	10	20	DGCD	
CCCOc1ccc(CN[C@H](C)c2n[nH]c(CC)n2)cc1C	873097222	KJORQRMTRGDYAR-CYBMUJFWSA-N	302.422	3.315	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCCO2)cc1	772029366	KVANPRVKGZYSNZ-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
CC[C@@H](NCCN(C)CCCOC)c1cc(Cl)ccc1O	775509382	REZALZDTYYMFLY-OAHLLOKOSA-N	314.857	3.055	10	20	DGCD	
CC(F)(F)C1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	1118800027	FHOQXYHGCOMLNE-UHFFFAOYSA-N	308.372	3.338	10	20	DGCD	
Cc1ccccc1[C@H]1CN(Cc2cc(F)ccc2O)CCO1	779019757	HXXOIUGNGBPSKW-GOSISDBHSA-N	301.361	3.413	10	20	DGCD	
CCOCc1ccccc1CNCc1cc(F)cc(F)c1O	882883129	OMRLOWVENNEDDH-UHFFFAOYSA-N	307.340	3.497	10	20	DGCD	
CCOc1ccc(N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	776585726	ZTNGCYNVFIOZEV-QGZVFWFLSA-N	316.357	3.163	10	20	DGCD	
COc1ccc(CNc2cnccc2SC)c(O)c1OC	893196489	BGKXLOHAKJBEOQ-UHFFFAOYSA-N	306.387	3.138	10	20	DGCD	
Oc1cc(Br)ccc1CN1CC(C(F)(F)F)C1	894890229	FIGGJYKHGGBYDA-UHFFFAOYSA-N	310.113	3.149	10	20	DGCD	
COc1ccc(CN2CCSC3(CCC3)CC2)c(O)c1OC	894890388	UIJWEQOQYPOIKV-UHFFFAOYSA-N	323.458	3.271	10	20	DGCD	
CCCC[C@@](C)(F)C(=O)NCCNCc1ccc(OC)c(C)c1	1130472988	FHCLSJNTHWEQGP-GOSISDBHSA-N	324.440	3.128	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]([C@H](C)O)C2)cc1F	780892554	LIIIWFFRTVURPZ-HOCLYGCPSA-N	308.441	3.265	10	20	DGCD	
COc1cc(C)cc(CNc2ccc(N3CCCC3)nc2)c1O	894360393	YJCZPDRPWFLMOI-UHFFFAOYSA-N	313.401	3.317	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](C)NC(=O)OC(C)(C)C)c(O)c1	192680183	HDAINPULHMFXTC-QWHCGFSZSA-N	308.422	3.264	10	20	DGCD	
O=C(O)[C@@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1	86787763	PCCWEBFQFMPIDT-KCJUWKMLSA-N	318.200	3.432	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(N)cc1)[C@H](C)c1ccccc1	1236266340	PVKTUJXORYBXMR-OAHLLOKOSA-N	312.413	3.395	10	20	DGCD	
CCNC(=O)C1(CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)CCC1	1326305216	JNNNJXDCTGQALG-UONOGXRCSA-N	316.445	3.145	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H]1CCCC(F)(F)[C@H]1O	1331382486	LAQRSANQEFQPKX-LGSVPQMISA-N	311.372	3.387	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCc1cccc(O)c1	1346421701	UPOMPAGCFNFUFO-UHFFFAOYSA-N	313.397	3.469	10	20	DGCD	
CCC(CC)c1cc(CNC(=O)NCc2ccc(N)cc2)on1	1357240840	DYEYYQLAUSBYEK-UHFFFAOYSA-N	316.405	3.160	10	20	DGCD	
Nc1ccc(CCNC(=O)c2c[nH]cc2Cc2ccccc2)cc1	1580443653	VWCWRHHVQVONFC-UHFFFAOYSA-N	319.408	3.160	10	20	DGCD	
CCC(CC)C(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1	1752862974	WCRXGWULGVNLAA-CQSZACIVSA-N	306.450	3.034	10	20	DGCD	
CCc1cccc(CN[C@@H]2C[C@@H](C(=O)O)c3ccccc32)c1O	1593642727	UXTBVUBIKVVAPQ-IAGOWNOFSA-N	311.381	3.357	10	20	DGCD	
Cc1cc(C(=O)CS[C@@H](C)C(=O)O)c(C)n1-c1ccccc1	1594274392	GHJZUFKHEABEBF-ZDUSSCGKSA-N	317.410	3.483	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[C@H](O)CC1	153307750	NZJYEIGZUUXRFT-OKILXGFUSA-N	318.442	3.189	10	20	DGCD	
COc1cc(CN(C)CCOc2ccccc2)c(O)cc1C	159480027	FCOISEUKOUCRKP-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
Cc1ccsc1/C=C1\SC(=S)N(Cc2ccon2)C1=O	178018524	KELZGOXXDUILLT-WDZFZDKYSA-N	322.436	3.446	10	20	DGCD	
COCCCCCN(Cc1ccccc1O)C[C@@H]1CCCO1	112641131	NLIXLXYNYRCAOB-KRWDZBQOSA-N	307.434	3.190	10	20	DGCD	
C[C@@H]1CN(C)c2ccccc2N(C(=O)/C=C/c2cccnc2)C1	173738030	ZLIZWKQDPIMNHL-BOLDSZDNSA-N	307.397	3.214	10	20	DGCD	
C[C@H](N[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1O	303268031	FVYOKSWSBHEVBD-YOEHRIQHSA-N	314.404	3.456	10	20	DGCD	
CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nc(C)cs1	180757275	PHEUJMXYDBZGQO-HOSRBBHYSA-N	318.398	3.143	10	20	DGCD	
CCc1cnc(NC(=O)NCc2ccc(N(C)C)c(F)c2)s1	174228974	IOTODYZBCGBWAP-UHFFFAOYSA-N	322.409	3.232	10	20	DGCD	
CN(Cc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)OCO2	121345576	HGWOZFLQEPOCGI-UHFFFAOYSA-N	307.353	3.237	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC2=NCCS2)c1	123931264	JJZHLJGPHLXVNX-UHFFFAOYSA-N	313.426	3.235	10	20	DGCD	
C[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(F)cc1O	186094704	YBUVGPXLCIWQDP-WIUDPPPLSA-N	307.390	3.120	10	20	DGCD	
C[C@H](NC1CCN(CC2CC2)CC1)c1ccc(F)c(F)c1O	191210252	FPTDZOINWKXLDO-NSHDSACASA-N	310.388	3.195	10	20	DGCD	
COC(=O)c1cc(CN(C)Cc2ccccc2O)c(C)s1	89126320	WTSOHBIMMSXGAY-UHFFFAOYSA-N	305.399	3.181	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C2(c3ccccc3)CCC2)c1	81959490	HKJPWWSCOVYKHX-UHFFFAOYSA-N	311.381	3.139	10	20	DGCD	
Cc1ccc(NC(=O)c2cccc(O)c2O)cc1OCC(F)F	193008176	YIWGJHIHUNDECL-UHFFFAOYSA-N	323.295	3.302	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCO[C@H](c2ccco2)C1	191428854	ZBKSFKKGSQYETH-AWEZNQCLSA-N	311.740	3.351	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1O	148623934	DKOPZYGAORIVTE-UHFFFAOYSA-N	303.792	3.216	10	20	DGCD	
OCCCCN(Cc1ccc(N2CCCCC2)cc1)C1CC1	93383027	JNJRUACXVNVXGJ-UHFFFAOYSA-N	302.462	3.414	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ncsc2C)c1	529147653	WOFXKZMWWQNQLR-QMMMGPOBSA-N	307.375	3.048	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C2	370671188	OFBSIWGFCBOHFC-DYVFJYSZSA-N	310.445	3.059	10	20	DGCD	
C[C@H](NCC(C)(C)OCCO)c1ccc(Cl)c(Cl)c1O	287423188	SKLPDLMGCNQLGQ-VIFPVBQESA-N	322.232	3.137	10	20	DGCD	
COc1ccc(F)cc1/C=C1\SC(=S)N(C2CC2)C1=O	291296615	BUVPFRLRHPSMOR-GHXNOFRVSA-N	309.387	3.198	10	20	DGCD	
COCCOCCCCN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21	387568055	IZMNAKUUUFKBRN-HUUCEWRRSA-N	307.434	3.282	10	20	DGCD	
C[C@H]1CN(Cc2cc(F)ccc2O)c2ccccc2N(C)C1=O	809785845	DUNUCVBRKLRZQC-LBPRGKRZSA-N	314.360	3.150	10	20	DGCD	
COc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1NC(C)=O	296638810	CRYNOZGVJPCUMS-CQSZACIVSA-N	312.369	3.459	10	20	DGCD	
Cc1cc(C(=O)NCC[C@H](C)CCO)c(C)n1-c1ccccc1	295639437	TXWCTQFBABYZRT-AWEZNQCLSA-N	314.429	3.233	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)N[C@@H](C)CC	801598172	WOONZYLKLBJXSM-LSDHHAIUSA-N	306.450	3.298	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@@H](C)COC)cc1	812477475	PJCUNCLJGJCKCP-LSDHHAIUSA-N	306.450	3.068	10	20	DGCD	
C[C@H](N[C@@H]1CC12CCNCC2)c1cccc(C(F)(F)F)c1O	817976521	NAQIJCQFDSMEIO-GXFFZTMASA-N	314.351	3.204	10	20	DGCD	
OCCCN(Cc1ccc2ccccc2c1O)CC(F)(F)F	816502491	CWCJTIRRKSKOFB-UHFFFAOYSA-N	313.319	3.292	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)c(F)cc1O)CN1CCCCC1	816536800	KIQLLZAMDCYZNO-LBPRGKRZSA-N	314.832	3.396	10	20	DGCD	
C[C@H](NCC1(O)CCCC1)c1cccc(C(F)(F)F)c1O	815579572	QFLJSKWGPXWMLW-JTQLQIEISA-N	303.324	3.367	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)[C@@H](C)c1ccccc1	819077411	KOTWEOSPVACVGL-JXFKEZNVSA-N	312.457	3.315	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2ccc(CCN)cc2)cc1	817948911	MGSQEFBJFKQXTQ-MRXNPFEDSA-N	311.473	3.495	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc3c2ccn3C)cc1	726932237	YEPWIELXDKTAKS-UHFFFAOYSA-N	307.397	3.174	10	20	DGCD	
COc1ccc(N(C)C[C@H](Cc2ccccc2)OC)cc1OC	827492088	ULAWQAUWOHGWQG-KRWDZBQOSA-N	315.413	3.398	10	20	DGCD	
CC[C@@H]1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1	823730361	VHYUNNCTZFGDRD-SZVBFZGTSA-N	318.461	3.131	10	20	DGCD	
C[C@H]1CC[C@@](C)(C(=O)NCCc2ccc(O)c(O)c2)C1(C)C	837481446	OUXDGLHPBVQFNA-SGTLLEGYSA-N	305.418	3.219	10	20	DGCD	
Cc1ccc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c(O)c1O	837192035	QGYLDWMUIYYHSK-INIZCTEOSA-N	303.402	3.447	10	20	DGCD	
CC(C)[C@@H](C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C	917075177	RORJBGYYNDBATC-MRXNPFEDSA-N	319.493	3.124	10	20	DGCD	
C[C@H](CC(=O)O)NCc1ccc2c(c1)CCN2Cc1ccccc1	840995582	XINXXRDOWNKUNH-OAHLLOKOSA-N	324.424	3.202	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@H]2CCCC[C@H]21	910946368	NHZJORZRPPNYEQ-DAXOMENPSA-N	303.402	3.321	10	20	DGCD	
COCCc1ccnc(N[C@H](C)c2cccc(OC)c2O)c1	846173574	TULXIUGPQGGQCE-GFCCVEGCSA-N	302.374	3.158	10	20	DGCD	
COc1cccc([C@@H](C)NCc2csc([C@H](C)OC)n2)c1O	846148825	HWLXGEDIUQTXDC-MNOVXSKESA-N	322.430	3.416	10	20	DGCD	
Cc1cccc(CN(Cc2ccccc2)[C@H]2CCCNC2)c1O	843051777	DPGVNBBSAGCUID-IBGZPJMESA-N	310.441	3.455	10	20	DGCD	
CC1(C)CN(C(=O)NCCc2ccc(N)cc2)Cc2ccccc21	841960453	QXKFTRUJVJBFSE-UHFFFAOYSA-N	323.440	3.314	10	20	DGCD	
Cc1cccc([C@H](C)CNC(=O)NCCc2ccc(N)cc2)c1	841834411	QRTKXHZUYWRXDJ-OAHLLOKOSA-N	311.429	3.223	10	20	DGCD	
C[C@H]1CCCC[C@H]1OCC(=O)NCc1cc(Cl)ccc1O	846476352	NQZPGTBSSPIVNT-XHDPSFHLSA-N	311.809	3.257	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cc(Cl)cs2)cc1	841044056	UPLLPVDGAZQPIW-HNNXBMFYSA-N	309.866	3.257	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2[C@H]3CCC[C@H]2CC(N)C3)c1O	843361313	FDQJGMGBDGDVCZ-GJZGRUSLSA-N	322.836	3.092	10	20	DGCD	
C[C@H](NCCO[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1O	927080406	IYQVOSYMUXKHDX-UWVGGRQHSA-N	320.216	3.155	10	20	DGCD	
CCC[C@H](O)CCN[C@@H](C)c1cc(Br)ccc1O	927016139	HRZNSJQUULFBKP-JQWIXIFHSA-N	316.239	3.356	10	20	DGCD	
C[C@H](COc1ccccc1)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756495497	RVZHMIMCEQUEIV-CHWSQXEVSA-N	316.357	3.419	10	20	DGCD	
CCOc1cc(N[C@H](C)c2cc(OC)ccc2O)nc(C)n1	853269182	MCDDOSBCNAHSJG-SNVBAGLBSA-N	303.362	3.071	10	20	DGCD	
Cc1nn(C)c(CNCc2ccc3c(c2)CCCN3C)c1Cl	921626010	VTXSWTAFKHVIGB-UHFFFAOYSA-N	318.852	3.054	10	20	DGCD	
C[C@H]1C[C@H](NCc2csc(N(C)C)n2)c2c(O)ccc(F)c21	756635786	HMQDFHHSVZEJJO-CABZTGNLSA-N	321.421	3.392	10	20	DGCD	
Fc1cc(CN[C@@H]2CC23CCCCC3)ccc1N1CCOCC1	858190434	CBKGMUGQFGJJRM-GOSISDBHSA-N	318.436	3.475	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)CC(C)(C)OC)c2c1	758412263	NXPSWVCHQPBCEF-UHFFFAOYSA-N	303.402	3.411	10	20	DGCD	
Cc1conc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	864636919	BUOODUYTXPRCPY-UHFFFAOYSA-N	313.401	3.246	10	20	DGCD	
CN1CCN(c2ccc(CN3CCCC(F)(F)CC3)cc2)CC1	862467479	WRDRFHOQWBOCPH-UHFFFAOYSA-N	323.431	3.060	10	20	DGCD	
Cc1ccccc1[C@@H]1CN(Cc2cc(F)ccc2O)CCO1	779019759	HXXOIUGNGBPSKW-SFHVURJKSA-N	301.361	3.413	10	20	DGCD	
COc1ccc(O)c(CN(C)C(C)(C)CN2CCCCCC2)c1	779192194	LIPVJMPRQIFTCF-UHFFFAOYSA-N	320.477	3.487	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@@H]1C[C@H](O)c1ccco1	876807468	FASODUOLSUIYHP-PBHICJAKSA-N	301.386	3.382	10	20	DGCD	
CC[C@H](NC[C@@](C)(O)COC)c1ccc(Cl)c(Cl)c1O	775503124	BQGBGCUFKLIMNX-SMDDNHRTSA-N	322.232	3.137	10	20	DGCD	
CCOC(=O)C[C@](C)(NCc1ccc(N(C)C)cc1)C(C)C	775374085	GQNSUDRRXICTJH-SFHVURJKSA-N	306.450	3.210	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1c(O)cccc1F	886551597	KOQNRYRESHWTLC-SWLSCSKDSA-N	320.408	3.116	10	20	DGCD	
Oc1ccccc1CN(CC[C@H]1CCOC1)Cc1ccco1	783498970	YNXBWPZGMIFVMI-HNNXBMFYSA-N	301.386	3.414	10	20	DGCD	
C[C@@H](NC[C@H]1CCC=CO1)c1ccc(Br)cc1O	783309464	JHLOJHRZLUHTQE-ZYHUDNBSSA-N	312.207	3.498	10	20	DGCD	
CC[C@@H](NCc1cn2ccsc2n1)c1ccc(F)cc1O	796706981	BXHGVFIKIKQJFX-CYBMUJFWSA-N	305.378	3.481	10	20	DGCD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCc1c(O)ccc(Cl)c1F	790973468	PEYKDIDUACQPFB-AMFBXLIHSA-N	313.800	3.478	10	20	DGCD	
CO[C@H](CN[C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1	1324541366	JYLQWXBMHXNUKM-NVXWUHKLSA-N	301.361	3.496	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2CCCC23CCOCC3)cc1F	1331521734	XTDGWLUBWUSLLL-QGZVFWFLSA-N	324.415	3.470	10	20	DGCD	
C[C@H](N[C@@H](C)c1ncc(C(=O)O)s1)c1ccc(N(C)C)cc1	1609772966	DHZNDRCTJCEZBC-QWRGUYRKSA-N	319.430	3.319	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc3[nH]ccc3c2)cc1	1578424775	VGNTZLWHAZDCJK-GOSISDBHSA-N	308.429	3.024	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](CC(=O)O)C(C)(C)C)ccc21	1776884702	LKROYFTUICLGIY-INIZCTEOSA-N	304.434	3.048	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](C)CCCC(=O)O)ccc21	1776875205	OSKUQNDQIXLLBF-AWEZNQCLSA-N	304.434	3.192	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1	158009527	DHHDRCNAFXYNKV-GASCZTMLSA-N	306.425	3.140	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCCCO3)cc2)CC1	153534659	YDGVOADPBHPNIK-GOSISDBHSA-N	316.445	3.108	10	20	DGCD	
CCc1nn(C)c(Cl)c1CN(C)Cc1ccc(N(C)C)cc1	155188406	BTAOKKOMBLHLMT-UHFFFAOYSA-N	320.868	3.334	10	20	DGCD	
C[C@H]1COC(C)(C)CN1Cc1cc(Br)ccc1O	754156326	PUKXWTWSGNUKRL-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
COc1cc(NCc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-]	301331500	BDHVIQSUKIWXGB-UHFFFAOYSA-N	301.346	3.282	10	20	DGCD	
COc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1F	187129031	OZWTYZYZKSVROR-UHFFFAOYSA-N	304.321	3.204	10	20	DGCD	
CC(C)[C@H](O)C(C)(C)CN[C@@H](C)c1ccc(F)c(F)c1O	187805548	RYFVRBFAIPIMIO-BONVTDFDSA-N	301.377	3.364	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC[C@H](C)N2CCCCC2)c1	186545708	ZACDAZUGMJXWDO-GJZGRUSLSA-N	306.450	3.316	10	20	DGCD	
Cc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OC(F)F	182076665	DEJUUPACHQRWOW-RMKNXTFCSA-N	315.366	3.427	10	20	DGCD	
Cc1cc(C(=O)NCC(C)(C)O)c(C)n1-c1ccc(Cl)cc1	75236364	IQPXFNXNCOTFQW-UHFFFAOYSA-N	320.820	3.248	10	20	DGCD	
C[C@H]1[C@H](C)CCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	314964993	BAIFWHKRGMKPRW-YYYFKNSJSA-N	304.346	3.317	10	20	DGCD	
Cc1nsc(C)c1C(=O)NCc1c(C)c2ccccc2n1C	352080230	WDNNUUZNSLAORT-UHFFFAOYSA-N	313.426	3.490	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCCSC(C)(C)C)cc1	263836671	CXKGQXHZHBRDEF-UHFFFAOYSA-N	309.479	3.084	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCO[C@H](CC(C)C)C2)c1O	271952683	DUPLMPYMSGRTRC-HZPDHXFCSA-N	307.434	3.474	10	20	DGCD	
C[C@@H](NC[C@@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1O	278332572	WNZYDVOJKAGDLS-GPXNAGAYSA-N	318.122	3.273	10	20	DGCD	
O=C(C1=CCCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	276137749	CUDJQKHKCBVOTL-QGZVFWFLSA-N	315.413	3.400	10	20	DGCD	
CC(C)c1nc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2O)n[nH]1	276851322	BCRCNFGYIYTVNG-BDAKNGLRSA-N	310.348	3.324	10	20	DGCD	
Cc1cc(O)c(CNCCOCC(F)(F)C(F)F)cc1C	277484369	MWMWAVVNOXMFOE-UHFFFAOYSA-N	309.303	3.016	10	20	DGCD	
C[C@@H](CO)CCCN[C@H](C)c1cc(Br)ccc1O	273545437	ZGSZOZNNZUTZMU-GHMZBOCLSA-N	316.239	3.214	10	20	DGCD	
Cc1ccc(N2CCOCC2)cc1NCc1cccc(C)c1O	281217938	UVCLTAUXYUOSON-UHFFFAOYSA-N	312.413	3.458	10	20	DGCD	
Cc1cc(C)c([C@@H](C)Nc2ccc(OCC(N)=O)cc2)c(O)c1	294590782	CUDQZMBIXFFCPG-CYBMUJFWSA-N	314.385	3.046	10	20	DGCD	
CC[C@H](NCCCC(=O)NC)c1cc(Cl)cc(Cl)c1O	806135292	RVKNVRLMBCXIKM-LBPRGKRZSA-N	319.232	3.266	10	20	DGCD	
Cc1cnccc1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837801	CMQHYDDQNGCKRO-UHFFFAOYSA-N	311.168	3.332	10	20	DGCD	
COc1ccc(N2CCN(Cc3csc(Cl)n3)CC2)cc1	290039738	NYQVRZBRBZTFDV-UHFFFAOYSA-N	323.849	3.127	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC(C2CCC2)C2CCC2)c1O	809712127	CMIMSHUPVLAVPW-UHFFFAOYSA-N	320.389	3.367	10	20	DGCD	
Cc1cc(-c2nnc(N3CCCC3)n2C)c(C)n1-c1ccccc1	800727782	OMLBYQPUYVHBAK-UHFFFAOYSA-N	321.428	3.490	10	20	DGCD	
CCCN(CC)C[C@@H](C)NCc1cc(Cl)cc(OC)c1O	811520237	LSVDZPDHLFZGBJ-GFCCVEGCSA-N	314.857	3.264	10	20	DGCD	
CCC1(O)CCC(NCc2cc(Cl)c(F)cc2O)CC1	816560219	IMUIOUCLDPAXOR-UHFFFAOYSA-N	301.789	3.358	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1	817939099	YVTNBBNCUWOFDW-UGSOOPFHSA-N	301.409	3.242	10	20	DGCD	
OCc1ccc(CCNCc2ccc3ccccc3c2O)cc1	816560162	GQWAGXQJKVXRRH-UHFFFAOYSA-N	307.393	3.370	10	20	DGCD	
CN1CCCc2cc(CN[C@H]3C[C@H](N)c4ccccc43)ccc21	817900032	JSTQKOPMTQWSJL-OALUTQOASA-N	307.441	3.303	10	20	DGCD	
CC[C@H](N[C@H]1CCO[C@@H](c2nccn2C)C1)c1ccccc1O	825328130	YMYXRSXRPADSSO-JLJPHGGASA-N	315.417	3.087	10	20	DGCD	
Cc1csc([C@@H](C)C(=O)NCc2ccc(N(C)C)cc2C)n1	827957994	XHKSPCKIZPRVBL-ZDUSSCGKSA-N	317.458	3.246	10	20	DGCD	
C/C(=C\C(=O)N1C[C@@H](C)Oc2cc(C)ccc21)c1cnccn1	826836860	LLUFZLUWRUFOLK-KADHNRKRSA-N	309.369	3.002	10	20	DGCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCc2ccccc21	588403645	SWQHMXLBPLIHMO-UBAGTECSSA-N	309.365	3.257	10	20	DGCD	
CC[C@@H](N[C@@H]1Cc2ccccc2[C@H]1N)c1ccc(F)cc1O	902433317	JGXNXFRGSTYCEN-JFIYKMOQSA-N	300.377	3.197	10	20	DGCD	
CC(C)(C)CC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	900033910	ZQCTXGNQICBXLK-HNNXBMFYSA-N	305.418	3.381	10	20	DGCD	
CC[C@@H](NC[C@H]1CCN1C)c1ccc(Cl)c(Cl)c1O	903316239	BSXMSOUKWGREEP-BXKDBHETSA-N	303.233	3.444	10	20	DGCD	
C[C@@]1(c2nc(Cc3ccc(N)cc3)no2)CCOc2ccccc21	904503769	JWWGSNFLAMWKIC-LJQANCHMSA-N	321.380	3.331	10	20	DGCD	
CCCn1ncc(NC(=O)NCc2ccccc2O)c1C1CC1	836716804	MXYSCKLDVQHLTA-UHFFFAOYSA-N	314.389	3.198	10	20	DGCD	
COC(=O)[C@]1(C)CCCN(Cc2ccc3ccccc3c2O)C1	840975375	GOHHAHOYLOJITN-LJQANCHMSA-N	313.397	3.321	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC1(Cl)Cl	844859203	DAEDXRPCNZBENZ-MRVPVSSYSA-N	323.607	3.039	10	20	DGCD	
CC[C@@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O	846206270	OYXNBHSREYCYJM-IAQYHMDHSA-N	322.836	3.097	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1C	840716843	BWTGMDLXGUQUBC-YSGRDPCXSA-N	316.489	3.420	10	20	DGCD	
CC[C@@H]1CCCCN1CCN[C@@H](C)c1cccc(OC)c1O	846144103	JMJMRFHYBMPDHY-LSDHHAIUSA-N	306.450	3.316	10	20	DGCD	
C[C@@H](CN[C@H](C)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C	848562368	IOEMZUOUMAHQKQ-UONOGXRCSA-N	306.450	3.381	10	20	DGCD	
CCOc1ccc(NCc2cccc(CC)c2O)cc1CO	848892404	VJLCMSMGJQXXGK-UHFFFAOYSA-N	301.386	3.458	10	20	DGCD	
Cc1ccc(-c2cc(C(=O)NCc3ccccc3O)on2)cc1	748345098	IEUADRNKGBJPGH-UHFFFAOYSA-N	308.337	3.286	10	20	DGCD	
C[C@@H](CO)C1CCN(Cc2c(O)ccc(Cl)c2F)CC1	846059081	XSTCULYFQCPRIU-JTQLQIEISA-N	301.789	3.025	10	20	DGCD	
CCS(=O)(CC)=NC(=O)c1cc(C)n(-c2ccccn2)c1C	925894369	XLXNEBABWVQWKW-UHFFFAOYSA-N	319.430	3.137	10	20	DGCD	
C[C@H](NC[C@@H](O)c1ccccc1F)c1cc(F)cc(F)c1O	756455709	ASAMIKGOIRVRID-BJOHPYRUSA-N	311.303	3.194	10	20	DGCD	
Cc1cc(O)c(CNC[C@H]2CCN2Cc2ccccc2)cc1C	850417042	UKPUNPHJFUBTQA-LJQANCHMSA-N	310.441	3.373	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](C)COC)cc1	755080412	AGHDLBHYHQFHQJ-OAHLLOKOSA-N	306.450	3.164	10	20	DGCD	
CCN(CC)CCOCCN[C@H](C)c1cc(Cl)ccc1O	757675067	ZORGPCDFOIIVGR-CYBMUJFWSA-N	314.857	3.055	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCN2CCCCCC2=O)c(O)c1C	756369945	DYMFPVYYPQPDSM-MRXNPFEDSA-N	318.461	3.452	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1ccnc(O)c1	926595621	JPYMENBQTLGVAU-CABCVRRESA-N	313.445	3.443	10	20	DGCD	
CN(C)c1ccc(OCC(=O)N(C2CCCC2)C2CC2)cc1	757718863	ZJJXUGRSKJUUOW-UHFFFAOYSA-N	302.418	3.065	10	20	DGCD	
COc1cccnc1NCc1cccc(Br)c1O	763507659	SMXXJDGXNRFXQT-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
CCOc1ccc(CN2CCOC[C@H]2c2ccccc2)c(O)c1	769503813	NDQBJWPKZQXCEQ-SFHVURJKSA-N	313.397	3.364	10	20	DGCD	
CC(C)c1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]1	1116660984	GSLPNQWQFLBUOR-LBPRGKRZSA-N	300.406	3.090	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1C	876745780	LSORQTMHMVMLQT-HZPDHXFCSA-N	302.462	3.126	10	20	DGCD	
CC1(C)[C@H](NCc2cc(Cl)cc(F)c2O)[C@@H]2CCCO[C@H]21	776223538	JJGPEYWKCSFTOZ-NILFDRSVSA-N	313.800	3.478	10	20	DGCD	
C[C@@H](NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1O	1116584527	HMOQJMNUVXJAQL-CYBMUJFWSA-N	302.393	3.491	10	20	DGCD	
COc1cc(C)ccc1C(=O)Nc1c(Cl)ccc2nonc12	1117507067	AAHIIZYGOBCAFB-UHFFFAOYSA-N	317.732	3.446	10	20	DGCD	
O=C(NCC1(Cc2ccccc2)CCC1)c1cccc(O)c1O	776354952	JXPUOEJSLIEWCC-UHFFFAOYSA-N	311.381	3.241	10	20	DGCD	
CC(C)c1ccc(C(=O)COC(=O)c2cccc(O)c2O)cc1	776282070	NFRWZBAOPFUBMK-UHFFFAOYSA-N	314.337	3.261	10	20	DGCD	
C[C@H](N[C@@H](CO)C[C@H]1CCCO1)c1ccc2ccccc2c1O	886669865	FVKXRYBHWVHPAB-NUEKZKHPSA-N	315.413	3.126	10	20	DGCD	
COc1cc(C)cc(CNC[C@@]2(C)CCO[C@@H]2C2CC2)c1O	894475010	HWGXIIKIFQZIRF-QZTJIDSGSA-N	305.418	3.004	10	20	DGCD	
COc1ccc(N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1F	785465073	APWVTRKLGFDPFQ-NSHDSACASA-N	312.385	3.184	10	20	DGCD	
Cc1cccc(CN[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1O	701856006	NXLJYYCQYAFZQS-GOSISDBHSA-N	320.433	3.190	10	20	DGCD	
COCCC1(CNCc2ccc(Br)cc2O)CC1	691476228	JECQBIZIXUARII-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1O	798016963	CVSGKEHJNVMRNW-QWHCGFSZSA-N	303.745	3.037	10	20	DGCD	
COC[C@H](C)CNCc1cc(Cl)cc(Br)c1O	708098977	NSXSGBHMLJKSDE-MRVPVSSYSA-N	322.630	3.180	10	20	DGCD	
COc1cc(O)c(CN2CCc3cc(C)ccc3C2)cc1OC	790446705	MANFKAXJRHRJMM-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
C/C=C(/C)C(=O)N1CCC[C@H](NCc2ccc(OC)c(C)c2)C1	998880483	IBLIMPBJNMTIHV-UOJXKXAVSA-N	316.445	3.050	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)C(C)C)CC2)cc1	1253853595	PRXQUSZFRBQJDQ-HNNXBMFYSA-N	304.434	3.026	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCC[C@@H](F)C1	1332092148	ACULDVWVHOTSTP-KGLIPLIRSA-N	320.408	3.351	10	20	DGCD	
CC(C)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N)cc1	1336162237	BHFJDEQGNJTLPL-SFHVURJKSA-N	311.429	3.335	10	20	DGCD	
O=C(O)[C@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O	1608624559	JTWKUJRQIKGXST-GXSJLCMTSA-N	304.173	3.042	10	20	DGCD	
Cc1ccc(CN[C@H](C)[C@@H](Cc2ccccc2)C(=O)O)c(O)c1	1600419871	QLTGRVVSDVALJB-RHSMWYFYSA-N	313.397	3.122	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](C(=O)O)Cc2ccccc21	1607667853	VYXXRDCRNQBXLW-QGZVFWFLSA-N	324.424	3.325	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1ccccc1CC(=O)O	1595891180	NSBIXKYUWFIRNS-UHFFFAOYSA-N	313.397	3.432	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@]2(C(=O)O)CC[C@@H](C)C2)cc1F	1776861153	HWYFJJFOCUYMEJ-ACJLOTCBSA-N	322.424	3.405	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1scnc1CC	162626868	FVHVNCKWEHXKFV-UHFFFAOYSA-N	304.415	3.464	10	20	DGCD	
CCCn1nccc1CNCc1cccc(Br)c1O	825709805	BGLLTLNZWLIILO-UHFFFAOYSA-N	324.222	3.051	10	20	DGCD	
CO[C@@H]1CCN(Cc2ccc(Br)cc2O)C[C@@H]1C	826062201	NBSVXSYEXWBLAF-IINYFYTJSA-N	314.223	3.012	10	20	DGCD	
CC(C)=CCc1cccc2c1C(=O)c1ccc(O)c(O)c1C2=O	1875251967	FGOBHFHIDPMBAP-UHFFFAOYSA-N	308.333	3.382	10	20	DGCD	
CCOc1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1	114564521	FXXMETOPFFJUPI-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1	114582343	MMVRQVOTTVNWJA-YWPYICTPSA-N	306.406	3.025	10	20	DGCD	
COc1cc(OC)c(CNCc2cc(C)ccc2O)c(OC)c1	113324227	RFJJTFINNJSTQY-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1cc(C(F)(F)F)ccc1F	113006439	HKUFAQZZHBRPMH-YWEYNIOJSA-N	307.293	3.333	10	20	DGCD	
COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2ccc(C)cc2O)CC1	186752245	QLZDIYUIRKVCDL-KGLIPLIRSA-N	320.433	3.218	10	20	DGCD	
CC[C@@H](OC1CCCCC1)C(=O)N(C)Cc1ccccc1O	121461715	BMORVHUZIXEKDN-QGZVFWFLSA-N	305.418	3.479	10	20	DGCD	
C[C@H](N[C@H]1CCc2[nH]ncc2C1)c1cc2c(cc1O)CCCC2	186115415	XLIHAZALWYOMBT-LRDDRELGSA-N	311.429	3.202	10	20	DGCD	
Cc1cccc([C@H](O)CN[C@H](C)c2ccc(F)c(F)c2O)c1	187798235	HFQZIYWHHRVICV-IAQYHMDHSA-N	307.340	3.363	10	20	DGCD	
C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cc(Cl)c(Cl)cc1O	192966943	QBLNGWAWOXVBRQ-KXUCPTDWSA-N	302.201	3.287	10	20	DGCD	
COCCOCCN[C@@H](C)c1cc(Cl)c(Cl)cc1O	192734054	PXEZDCIIVDGPCF-VIFPVBQESA-N	308.205	3.013	10	20	DGCD	
C[C@@H](N[C@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1O	192650633	APWVOUJQMONQJU-PELKAZGASA-N	317.216	3.018	10	20	DGCD	
C[C@H]1CCc2c(C(=O)NCCc3ccc(N)cc3)csc2C1	237613910	BGHPGGZFPDZRLT-LBPRGKRZSA-N	314.454	3.428	10	20	DGCD	
CCN(Cc1ccc(N(CC)CC)cc1)Cc1cnn(C)c1	92438194	OCKLMHQEMFSKQS-UHFFFAOYSA-N	300.450	3.288	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccnc3ccccc23)cc1	248150610	XGDAMZHZGXKEIG-UHFFFAOYSA-N	305.381	3.231	10	20	DGCD	
CC[C@@H]1C[C@H]1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	438121942	ZEWCWYNANKBPMX-RHSMWYFYSA-N	314.429	3.433	10	20	DGCD	
CNCCc1ccccc1C(=O)Nc1cccc(N2CCCC2)c1	261652193	JRDQUWHQRNOXLS-UHFFFAOYSA-N	323.440	3.301	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC2CCC1CC2	362336525	OVEMHWNUQOYOEK-UHFFFAOYSA-N	311.429	3.147	10	20	DGCD	
CCCN(CC)CCNC(=O)N(CCC)Cc1ccccc1O	266964161	PDSLAHNXGKGTFD-UHFFFAOYSA-N	321.465	3.046	10	20	DGCD	
C[C@H](NCCOCC(F)(F)C(F)F)c1ccc(N(C)C)cc1	276229295	MXPQSUFKXSMPTA-NSHDSACASA-N	322.346	3.320	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@H]2CCC[C@H](C1)C2	369732047	MICTXJPHTLRYIE-IHRRRGAJSA-N	317.429	3.361	10	20	DGCD	
C[C@@H](N[C@H](C)c1ncnn1C)c1cc(Cl)c(Cl)cc1O	278387446	DKYPTLCKWUYJIG-HTQZYQBOSA-N	315.204	3.239	10	20	DGCD	
COc1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)cc1C	274326425	YHUKVOZPQMKJGW-VGOFRKELSA-N	317.454	3.213	10	20	DGCD	
CC[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccccc1O	274736606	DHTWYJNTNPULFB-DOTOQJQBSA-N	303.377	3.176	10	20	DGCD	
Cc1oc(C(C)C)nc1C(=O)NCc1ccc(N(C)C)c(F)c1	285017223	ANMQXNHPAANFOQ-UHFFFAOYSA-N	319.380	3.242	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C3)C2)cc1F	806634512	LKCVBGIODNZNFR-GJZGRUSLSA-N	319.424	3.223	10	20	DGCD	
COc1cccc(CN[C@H](C)[C@H]2OCCc3sccc32)c1O	291765097	SASOBJFOAYFEKM-PIGZYNQJSA-N	319.426	3.254	10	20	DGCD	
CCOc1ccc(CNCC[C@H](O)c2ccccc2)c(O)c1	809746868	CCLQUUMODNDJCR-KRWDZBQOSA-N	301.386	3.004	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](CO)C2CCCCC2)c1	293661202	IQEKYGJSYZZLIF-ZFWWWQNUSA-N	307.434	3.240	10	20	DGCD	
Oc1cc2c(cc1CNc1ccccc1OCCF)OCO2	295139175	PPODDSWSDOOKAF-UHFFFAOYSA-N	305.305	3.081	10	20	DGCD	
CCCn1ccnc1CCCN(C)Cc1c(O)cccc1OC	809754790	BBQITLAMURJWHC-UHFFFAOYSA-N	317.433	3.072	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1n[nH]c2ccccc12	298370575	DOUSAJYPGYIOFL-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
CO[C@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800046628	ANCIQRNANDBKAI-CHWSQXEVSA-N	324.852	3.227	10	20	DGCD	
CC(C)(NCc1cc2c(cc1O)OCO2)c1ccccc1F	291745094	PJWXMMNFJLIWAQ-UHFFFAOYSA-N	303.333	3.285	10	20	DGCD	
Cc1cc(CN[C@@H](CO)[C@H](C)c2ccccc2)ccc1N(C)C	815092697	OQQPTTAOARZCRI-APWZRJJASA-N	312.457	3.315	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](O)c2ccc(F)cc2Cl)cc1	818941911	UDXQZQKGNQOFGS-QGZVFWFLSA-N	322.811	3.368	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCCC1(O)CCC1	817789667	QMZOAIAIBUHRSJ-UHFFFAOYSA-N	320.433	3.009	10	20	DGCD	
Cc1ccsc1[C@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817938952	WFFPNQSMCIZVLV-BBRMVZONSA-N	303.475	3.473	10	20	DGCD	
CCc1cccc(CNCc2cccnc2N2CCCC2)c1O	826899270	IAMHZSUSWRLVSH-UHFFFAOYSA-N	311.429	3.240	10	20	DGCD	
CCOc1cccc(CNC[C@H]2CCOC3(CCC3)C2)c1O	824751304	TWQSVQZPGKNOIL-AWEZNQCLSA-N	305.418	3.230	10	20	DGCD	
CC1(C)CN(C(=O)c2cccc3c2CCNC3)c2ccccc21	662638433	ZOXBRVLCYOZGGX-UHFFFAOYSA-N	306.409	3.270	10	20	DGCD	
CCc1nocc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	822898292	MAKPXJIEIRECDE-UHFFFAOYSA-N	315.417	3.354	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1N1CCCC1	588403621	RUZMKSILQGDJRA-NTMALXAHSA-N	324.380	3.350	10	20	DGCD	
COc1cc2c(c(OC)c1)N(CC1CCC(=O)CC1)CCC2	839656130	IBACWEIZNRCCEF-UHFFFAOYSA-N	303.402	3.216	10	20	DGCD	
CN(CCOc1cccc(Cl)c1)C(=O)c1cc(O)cs1	731865574	NFXOLHDLLLABEB-UHFFFAOYSA-N	311.790	3.258	10	20	DGCD	
COc1cccc(O)c1CNC[C@@H](C(=O)OC(C)(C)C)C(C)C	848565990	OUUSVWCNUXQVFU-CYBMUJFWSA-N	323.433	3.104	10	20	DGCD	
CCn1ccc(CN[C@@H](C)c2ccc(Br)cc2O)n1	840839884	ANSMUQZZMWTWNP-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)OCC(F)(F)F)C2CC2)cc1	918000314	KNDCAPDFEIPMJD-UHFFFAOYSA-N	316.323	3.416	10	20	DGCD	
COc1cc(CCO)ccc1NCc1ccc(N(C)C)cc1C	840940512	DGXVGRGPQXGYOJ-UHFFFAOYSA-N	314.429	3.217	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1	844734871	ZYWGZEJXQRMJJA-SWLSCSKDSA-N	307.434	3.395	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)C[C@]2(O)CCc3ccccc32)c1	842627314	ZGQWZEZMZUFYGB-HXUWFJFHSA-N	311.425	3.275	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC)cc2OC)cc1	752114836	VGAYPKJDDAFVFM-UHFFFAOYSA-N	315.369	3.127	10	20	DGCD	
COc1cc(CNCC(C)(C)CCO)c(O)c(C(C)(C)C)c1	850167654	HAIZOKWZRHSFIK-UHFFFAOYSA-N	309.450	3.197	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCC(C)(C)[C@@]2(O)CCCOC2)c(O)c1	850561030	HMUCOPNKYJXVOA-DNVCBOLYSA-N	321.461	3.227	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C=CCC2)c1	862173238	XSZWQXVKYSICHY-QGZVFWFLSA-N	308.381	3.355	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](C)Cc2ccncc2)c1O	761207830	TWDRDRXOTMLUBX-NSHDSACASA-N	306.793	3.170	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C	769469631	BWQKSDHFBSWOHL-GDBMZVCRSA-N	307.457	3.196	10	20	DGCD	
CCC1(CC)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCS1	768540098	RGHVDVFLPLTVNH-SOFGYWHQSA-N	321.442	3.245	10	20	DGCD	
CCOc1ccc(CNc2nc3ccc(F)cc3n2C)c(O)c1	766519465	GVIWIYUNBDBVFH-UHFFFAOYSA-N	315.348	3.429	10	20	DGCD	
CCCCC[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768462142	JXWSSEGVQGHWAD-RHSMWYFYSA-N	305.418	3.363	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CC[C@H]3SCCS[C@@H]13)CCO2	762620392	ZXVIXRLZXDBVQW-BMFZPTHFSA-N	307.484	3.091	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](F)c1ccccc1	769475280	PAWNOUASCZMYEJ-QGZVFWFLSA-N	314.360	3.189	10	20	DGCD	
CC[C@H](CC(F)(F)F)NC(=O)N(C)Cc1ccccc1O	761035449	HLZGGEQGTDEBHD-LLVKDONJSA-N	304.312	3.265	10	20	DGCD	
COc1cc(SC)ccc1NC(=O)c1cccc(O)c1O	773252261	NUBNUDMZFCFQNE-UHFFFAOYSA-N	305.355	3.081	10	20	DGCD	
CCCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774483319	JQNTXZDHFDTHIE-LSDHHAIUSA-N	305.466	3.098	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCCOc1ccccc1	772767314	ADMLRLWKZZHJCJ-NTMALXAHSA-N	314.337	3.123	10	20	DGCD	
Cc1ccc(CN(C)Cc2nccn2CC(F)(F)F)c(O)c1	876685457	QXPHSWZXBZRYAC-UHFFFAOYSA-N	313.323	3.091	10	20	DGCD	
CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2cc(C)ccc2O)C1	776806067	BPAMQSHTLTYZQH-HUUCEWRRSA-N	320.433	3.047	10	20	DGCD	
OC1CCN(c2ccc(CNC3(C(F)F)CCCC3)cc2)CC1	877536586	WIIHNPYTVQNYES-UHFFFAOYSA-N	324.415	3.315	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2cnccc2SC)c1O	775032201	FYZOMKTYCZEJID-UHFFFAOYSA-N	321.358	3.038	10	20	DGCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1cccs1	883288426	DWKGCJUMOSVFFN-HNNXBMFYSA-N	315.486	3.351	10	20	DGCD	
C[C@@H](N[C@@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1O	783503104	GQNWHHZELUSXGM-PBHICJAKSA-N	312.413	3.262	10	20	DGCD	
CN(Cc1cc(-c2ccccc2)ccc1O)Cc1nccn1C	780893521	XRQUFLHLGRPPND-UHFFFAOYSA-N	307.397	3.425	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCN2c2ccccc2)cc1	782008671	QVRQORWUEJEVAG-LJQANCHMSA-N	323.440	3.038	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1	784018271	UKWJVWZUJYNTLF-UHFFFAOYSA-N	304.434	3.026	10	20	DGCD	
Cc1nc([C@H]2CCCCN2Cc2cc(F)cc(F)c2O)no1	893968648	JHBFRFBTDSSZIH-CYBMUJFWSA-N	309.316	3.089	10	20	DGCD	
CC[C@H](NC[C@@H](CO)Cc1ccco1)c1ccc(F)cc1O	796795960	FSOPGZFDZZFOCR-LRDDRELGSA-N	307.365	3.016	10	20	DGCD	
C[C@@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccc(F)cc1O	797131399	GBRRZZIMBCFZDQ-VERVWZFWSA-N	321.417	3.261	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNc1nnc([C@@H]2CCCO2)o1	1320684857	IDNPSHMEEOMRSS-HNNXBMFYSA-N	314.389	3.133	10	20	DGCD	
C[C@@H]1C[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1	1521095367	HICAICPGKCWTOK-DOMZBBRYSA-N	312.417	3.154	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1csc(C(=O)O)c1	1607295997	VLFUAKKZBIEDBQ-UHFFFAOYSA-N	303.383	3.408	10	20	DGCD	
O=C(O)/C=C/c1ccc(NCc2ccccc2O)c([N+](=O)[O-])c1	1610751039	XUXOMBAKLJCICN-SOFGYWHQSA-N	314.297	3.010	10	20	DGCD	
C[C@@H](NCC[C@H]1CCC2(CCC2)O1)c1cc(C(=O)O)ccc1O	1593265847	YIVYMZUOOYFPOY-TZMCWYRMSA-N	319.401	3.233	10	20	DGCD	
CN(Cc1cc(O)ccc1Cl)c1ccc(OCC(=O)O)cc1	1598508309	AMAREFASGQYSSM-UHFFFAOYSA-N	321.760	3.145	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccc([S@@](C)=O)cc1	160548717	XGINOKLIHLBKJL-FPTDNZKUSA-N	316.470	3.341	10	20	DGCD	
C[C@H](N[C@H](C)CC[S@@](C)=O)c1ccc2ccccc2c1O	168840990	XNEPSSSMAKZCFV-BHVCSQLQSA-N	305.443	3.353	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@]3(CCOC3)C2)c1	151285681	AKUCWBVYLFEDFB-GOSISDBHSA-N	305.418	3.008	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2cnc(C)s2)c1	153897743	VDCTXGJFJPOAEP-BREXMAIKSA-N	318.398	3.056	10	20	DGCD	
C[C@@H](NC[C@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1	157617801	OCTJQJSZAAKNMS-ACJLOTCBSA-N	302.393	3.276	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)CCCCCN)cc2)CC1	155675997	QWPNGGFRBCRPTO-UHFFFAOYSA-N	317.477	3.058	10	20	DGCD	
CCOC(=O)[C@@H]1CCCN(Cc2c(O)ccc3ccccc23)C1	1461282	QVCOJNSOQPFNPA-OAHLLOKOSA-N	313.397	3.321	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CCC(C)(C)C3)ccc21	174446575	JEUZVACYBAHGNM-UHFFFAOYSA-N	301.434	3.011	10	20	DGCD	
CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1nc(C)cs1	179483273	NJHLZTKOMMCPAK-LLVKDONJSA-N	306.387	3.052	10	20	DGCD	
Cc1ccc([C@H](C)NCCC(=O)N2CCCCCC2)c(O)c1	185251855	VEXRXJAHTUNDHP-HNNXBMFYSA-N	304.434	3.144	10	20	DGCD	
C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(N2CCOCC2)cc1	119240367	NUOSLGJDEUJCDL-NVXWUHKLSA-N	318.461	3.131	10	20	DGCD	
C[C@H](NCc1c(O)cccc1Cl)c1ccc(NC(N)=O)cc1	113351634	WACXVLQGESGJJA-JTQLQIEISA-N	319.792	3.387	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)cn1C	170732149	HSBSFSRABIGZLC-UHFFFAOYSA-N	306.793	3.437	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC2[C@@H](C)CCC[C@@H]2C)c1	176078511	GRVKHYUCQPRCJL-RYUDHWBXSA-N	306.406	3.025	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)CCO	178602789	XANHETIZPBWMAD-UHFFFAOYSA-N	320.458	3.294	10	20	DGCD	
Cc1ccc([C@H](C)NCCN2CCc3sccc3C2)c(O)c1	185105584	ZEDMTVXXLVRQOR-AWEZNQCLSA-N	316.470	3.471	10	20	DGCD	
CC1([C@H]2CCCN(Cc3cccc(Cl)c3O)C2)OCCO1	183239404	SCZOSZFJFGQSFM-ZDUSSCGKSA-N	311.809	3.021	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc3c(c2)OCCCO3)cc1	79694986	OFLFRXQFHSTOIS-UHFFFAOYSA-N	312.413	3.204	10	20	DGCD	
C[C@@H](Nc1ccn(CCc2ccncc2)n1)c1ccccc1O	183663519	KKOABXAZAUQWJK-CQSZACIVSA-N	308.385	3.400	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCCCSc2nccs2)cc1	76612049	ICBIHPUFBZCHSS-UHFFFAOYSA-N	320.439	3.258	10	20	DGCD	
CCSCC[C@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	180834027	UXCVMRNBWXAHNZ-WMADIVHISA-N	309.431	3.101	10	20	DGCD	
CCn1ncc2ccc(NC(=O)N(C)Cc3ccccc3O)cc21	194778053	JVBQVEVEOHLEET-UHFFFAOYSA-N	324.384	3.426	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H]2CC(C)(C)OC2(C)C)c1O	132400910	SCSVLUXSSCSUGF-CQSZACIVSA-N	309.381	3.170	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cccc(Br)c1O	91974442	INXGQPGUPKFALY-UHFFFAOYSA-N	322.202	3.492	10	20	DGCD	
COCOc1ccc(OC)cc1CN(C)Cc1ccccc1O	91974560	DYMXLXWCUPJGDW-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
COc1ccc2cc(CNC(=O)Cc3ccc(N)cc3)ccc2c1	237276123	FNJXOTWHWDSCJO-UHFFFAOYSA-N	320.392	3.290	10	20	DGCD	
Cc1c(CNC(=O)c2ccc(O)cc2F)n(C)c2ccccc12	436990972	RRCQUXYYUNTEQJ-UHFFFAOYSA-N	312.344	3.261	10	20	DGCD	
CCn1nc(NC(=O)N(C)Cc2ccccc2O)cc1C1CC1	267676055	PMCMDOJAZXINPE-UHFFFAOYSA-N	314.389	3.150	10	20	DGCD	
Cc1cc(C)cc(C2(C(=O)NCc3ccc(O)c(O)c3)CC2)c1	272402252	ZFNSWZXJOLKGHP-UHFFFAOYSA-N	311.381	3.063	10	20	DGCD	
C[C@@H](CCNCc1cc(Cl)cc(Cl)c1O)CC(=O)O	277209663	HBZYRPPRLITJTK-QMMMGPOBSA-N	306.189	3.290	10	20	DGCD	
C[C@H]1[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2O)CC[S@@]1=O	271178500	GVASOJDBZQWYPQ-MGOSUKFUSA-N	322.257	3.040	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2OCCc3ccccc32)c1	371546739	NZKZLFSYQPNCOK-YJYMSZOUSA-N	313.397	3.365	10	20	DGCD	
COc1cc(O)c(CN[C@H]2C[C@H](c3ccccc3)C2)cc1OC	280775498	PEWIKIGJALVVMV-KOMQPUFPSA-N	313.397	3.445	10	20	DGCD	
CSCCCN(C)C(=O)NCc1ccc(N2CCCC2)cc1	281053081	SOXWWXLHBYSMCG-UHFFFAOYSA-N	321.490	3.181	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nc(C(C)C)oc2C)c1	802781746	GDHJOLQBACZCGK-JTQLQIEISA-N	318.373	3.312	10	20	DGCD	
Cn1cnnc1C1CCN(Cc2ccc3ccccc3c2O)CC1	816491565	QUHYYSUKDZZTBW-UHFFFAOYSA-N	322.412	3.054	10	20	DGCD	
COCC1(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CCOCC1	813875667	QRYJIAHRYGJOGJ-OCCSQVGLSA-N	323.408	3.112	10	20	DGCD	
Cc1cc(CN2CC(=O)N(C)[C@@H]2c2ccccc2)ccc1N(C)C	815100781	UYEYMNAJIQNGNY-FQEVSTJZSA-N	323.440	3.034	10	20	DGCD	
CC(C)(C)CNC(=O)c1csc(Cc2ccc(N)cc2)n1	817910522	UUJZBAFWKLIPKS-UHFFFAOYSA-N	303.431	3.092	10	20	DGCD	
CN1CCCc2cc(CNCc3nn(C)c4ccccc34)ccc21	727469732	DLMKRTNLHITVPI-UHFFFAOYSA-N	320.440	3.246	10	20	DGCD	
CCC(=O)C1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1	822819228	OPIMVGGYHHQXGX-UHFFFAOYSA-N	314.429	3.052	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1C(C)C	828860763	GXSDEGDVFHNRDU-AWEZNQCLSA-N	314.433	3.329	10	20	DGCD	
CC(C)(C)CC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	904005969	VVJKASMTAOOIBS-GFCCVEGCSA-N	301.333	3.040	10	20	DGCD	
COc1cccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1O	827377357	WOOLTCXEBWLCGW-GOEBONIOSA-N	305.418	3.182	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1	836237113	WILXXKWPNUWSQE-QZTJIDSGSA-N	313.445	3.083	10	20	DGCD	
O=C(O)[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1	900029500	QKTCGCJDZKSAED-KRWDZBQOSA-N	315.344	3.066	10	20	DGCD	
CCOc1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c(O)c1	839193726	WQPOLFFWMGSEJG-ZWKOTPCHSA-N	319.445	3.164	10	20	DGCD	
CCc1cccc2c(CCNC(=O)c3cc(O)cs3)c[nH]c12	732301402	AXSYZRRZCSCDCJ-UHFFFAOYSA-N	314.410	3.470	10	20	DGCD	
Cc1cccc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)c1C	841826229	FIEDSYILGYFONN-OAHLLOKOSA-N	311.429	3.489	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1O	840398246	WRXHMEXIDNGIMC-DZGCQCFKSA-N	318.417	3.026	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NCC1(C2CC2)CCC1	845067964	INNNFWWCPBUYFA-UHFFFAOYSA-N	308.809	3.425	10	20	DGCD	
CCC1(c2ccccc2)CN(C(=O)NCCc2ccc(N)cc2)C1	841955554	GLBJICGHVQWBSB-UHFFFAOYSA-N	323.440	3.185	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)[C@H]4CCC(=O)C4)ccc31)CCCC2	843020291	DRSQFBYAGXETAL-LBPRGKRZSA-N	311.381	3.332	10	20	DGCD	
COCc1csc(/C=C2\SC(=S)N(C3CC3)C2=O)c1	849173033	AWFSMMHGJFMZFL-WZUFQYTHSA-N	311.453	3.258	10	20	DGCD	
C[C@H](N[C@H]1CO[C@H](C)C1)c1cc(Br)cc(F)c1O	842928900	KYZDMPUVNATART-KHQFGBGNSA-N	318.186	3.122	10	20	DGCD	
Cc1ccc(O)c(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1	758529673	QOYIGPLBBMDPAP-MJGOQNOKSA-N	315.388	3.096	10	20	DGCD	
Cc1nnc(CN(C)Cc2ccc(N3CCCCC3)c(C)c2)o1	852471312	KJTXCZYJJMTUOM-UHFFFAOYSA-N	314.433	3.309	10	20	DGCD	
C[C@H](NCCc1ccc(CO)cc1)c1cc(Cl)ccc1O	756791686	UFMQOPOQNMCQDT-LBPRGKRZSA-N	305.805	3.431	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C	858827083	VFOGPUOEVNCGNV-XSWJXKHESA-N	318.461	3.161	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CC(=O)O)C2CC2)cc1F	756387680	LMAWZSREYGQOJN-HNNXBMFYSA-N	308.397	3.015	10	20	DGCD	
CC[C@H](NCC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C)cc1O	850563383	XCJPOEAHLOGZEP-QFBILLFUSA-N	321.461	3.309	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@H]2CCCC[C@H]2C)cc1Cl	757857468	URDFHTGTPSQPBL-DOMZBBRYSA-N	324.852	3.480	10	20	DGCD	
CC[C@H](C)[C@H](O)CNCc1cc(OC)cc(C(C)(C)C)c1O	850134333	WMOWMVIIHKZRFR-BLLLJJGKSA-N	309.450	3.195	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(Cl)cn1	753379480	CAAQPXUWHSPWDX-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)C[C@H](C)O3)c1	933136218	DOJLVQZUUIVXQJ-LBPRGKRZSA-N	312.369	3.346	10	20	DGCD	
Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccccc1O	767928073	VAXKOQQDXFLXFJ-UHFFFAOYSA-N	319.364	3.088	10	20	DGCD	
CCN(CC)C(=O)C[C@@H](C)NCc1ccc(N(CC)CC)cc1	765100776	AGMWPYNEFAGPQD-MRXNPFEDSA-N	319.493	3.269	10	20	DGCD	
C[C@@H](NCc1c(Cl)nc(Cl)n1C)c1ccccc1O	877756353	IFDCVENHBXJOKA-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
Cc1cccc(O)c1CNCc1ccc(N2CCCC2=O)cc1	876901835	HYUXHOJTFVJPOU-UHFFFAOYSA-N	310.397	3.117	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)[C@H]([C@@H](C)O)C1	1116719510	HWYDGLSPXFCNAJ-MDZRGWNJSA-N	302.462	3.268	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H]3CCC[C@H]3OC)CC2)cc1	775420484	XSLDJRPBJMAQMM-DNVCBOLYSA-N	318.461	3.069	10	20	DGCD	
CC[C@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)cc1	775638592	LQZAGPVOCIVGMN-SFHVURJKSA-N	301.478	3.203	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)NOC1CCCCC1	777452319	FNNSZRXTFKRFND-UHFFFAOYSA-N	317.433	3.350	10	20	DGCD	
CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cccc(C)c1C	775817606	GPCAPJHAQALWQR-MDZDMXLPSA-N	311.385	3.168	10	20	DGCD	
CCC1(CC)[C@@H](N(C)Cc2cccc(OC)c2O)C[C@H]1OC	770353768	ULPQTLAUAJYDLQ-JKSUJKDBSA-N	307.434	3.426	10	20	DGCD	
C[C@H](NC(=O)NOC1CCCCC1)c1ccc(N(C)C)cc1	777638035	QYLADNQPTYNQPQ-ZDUSSCGKSA-N	305.422	3.377	10	20	DGCD	
CC(C)c1cc(N[C@H](C)c2ccc(N(C)C)cc2)n2ncnc2n1	772299168	BYPSAWNIMQEYKU-CYBMUJFWSA-N	324.432	3.487	10	20	DGCD	
CCOc1ccc(CNc2nnc(CCC(C)C)o2)c(O)c1	777515809	ODUKJBCCYIFUFN-UHFFFAOYSA-N	305.378	3.375	10	20	DGCD	
COc1cccc(O)c1CN1CCSC[C@@H]1c1nccs1	770673143	GJHHGHOKATYKLQ-GFCCVEGCSA-N	322.455	3.147	10	20	DGCD	
C[C@@H]1CCC[C@H](Cn2cc(COc3ccc(N)cc3)nn2)C1	881326146	XUSRELDOFTVWGS-KGLIPLIRSA-N	300.406	3.266	10	20	DGCD	
CC(C)[C@H](CN[C@H](C)c1cc(F)cc(F)c1O)c1ccnn1C	788258786	IWXVWLPOVCYDNC-RISCZKNCSA-N	323.387	3.494	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1	890030495	FJQPYXCJIZUGIB-GOEBONIOSA-N	316.445	3.279	10	20	DGCD	
COC[C@@H](C)n1ccc(NCc2c(O)ccc(Cl)c2F)n1	790988404	OYDFDBLYVHDXCY-SECBINFHSA-N	313.760	3.201	10	20	DGCD	
CC[C@H](NC[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1O	796704158	XKFXLMYXBSCMFZ-YJBOKZPZSA-N	317.404	3.423	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@H](c3ccnn3C)C2)cc1	790482733	CFLWSXHJUBNEDZ-DLBZAZTESA-N	312.461	3.302	10	20	DGCD	
CC(=O)Nc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)nc1	1321037573	NXWZVMYVCASLCP-QMMMGPOBSA-N	307.300	3.197	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNC1(C2CC2)CCOCC1	1320390564	ZQURUMQSHIPPPZ-UHFFFAOYSA-N	300.446	3.336	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCOC[C@H]1C1CCC1	1326323746	MTVJYZMTVVWSPF-IBGZPJMESA-N	300.446	3.288	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1Cc2ccccc2[C@H]1N	1336077225	HZMQZVOXDMFSHC-NXOXCILZSA-N	308.425	3.463	10	20	DGCD	
COc1cccc(N(CC(C)C)C(=O)/C=C/[C@@H]2CCCNC2)c1	1579280238	GCKOFQFZACRRSJ-SCOAYWHSSA-N	316.445	3.240	10	20	DGCD	
CN(C)c1ccc(/C=C/CNc2cccc(-c3nn[nH]n3)c2)cc1	1578998468	LPRYEIVYKNOEMZ-SNAWJCMRSA-N	320.400	3.058	10	20	DGCD	
CSc1ccccc1C(=O)NCc1ccc(N(C)C)cc1	18214935	ZSUDMOYIIHAHGB-UHFFFAOYSA-N	300.427	3.405	10	20	DGCD	
COc1cc(CN2CC[C@H](CN(C)C)C2)c(O)c(C(C)(C)C)c1	164392142	LOSPKDPJDFBOEZ-CQSZACIVSA-N	320.477	3.082	10	20	DGCD	
CCCN(CCC)C(=O)COc1ccc(N2CCCC2)cc1	152005598	BFGCMAYAJVAFOZ-UHFFFAOYSA-N	304.434	3.314	10	20	DGCD	
C[C@H](NCCc1cccs1)c1ccc(N2CCOCC2)cc1	155563150	YVZBKWFBBCUIHM-HNNXBMFYSA-N	316.470	3.478	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCc1cc(F)cc(F)c1	155149130	QMLFYCKNLKDFMQ-UHFFFAOYSA-N	320.339	3.055	10	20	DGCD	
Cc1cccc(CN[C@H](C)CCCNC(=O)OC(C)(C)C)c1O	295123952	NRAYTYKDHIZYJH-CQSZACIVSA-N	322.449	3.484	10	20	DGCD	
C[C@H]1c2cccn2CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	179565276	HSYVTNRHFZNACV-JTQLQIEISA-N	321.764	3.332	10	20	DGCD	
Cc1cccc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O	179704356	SAYMWFRRMTVFES-OAHLLOKOSA-N	320.433	3.190	10	20	DGCD	
Cc1csc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1	126956400	LQWXQZIPFDTJKS-OAHLLOKOSA-N	318.442	3.338	10	20	DGCD	
CC1(C)CCCC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	122925417	UJTWVBNJUNKWON-CQSZACIVSA-N	305.418	3.363	10	20	DGCD	
CCOc1ccc(O)c(CN(C)c2ccc3c(c2)OCO3)c1	180760949	ZYUTYOHHNIMLCD-UHFFFAOYSA-N	301.342	3.156	10	20	DGCD	
CCOc1cccc(CNCCCN2CCC(C)CC2)c1O	74336508	CYEKJXZHOVCTBH-UHFFFAOYSA-N	306.450	3.003	10	20	DGCD	
COc1ccccc1SCC(=O)N(C)Cc1ccccc1O	136460886	JLBGZGOHAIINKL-UHFFFAOYSA-N	317.410	3.152	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1cccc(-c2cc[nH]n2)c1	185990167	VFMZBMIUKHZOAN-UHFFFAOYSA-N	322.368	3.446	10	20	DGCD	
CC(C)(NCc1cc(Cl)ccc1O)C(=O)NCC1CCCC1	136035058	BTLOPULBHOZBMX-UHFFFAOYSA-N	324.852	3.220	10	20	DGCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccccc1	41568501	POAWBDHSMGARIO-UHFFFAOYSA-N	317.395	3.006	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C(C)(C)c1cccc(F)c1	136940943	KHALVFDYRDVVOR-UHFFFAOYSA-N	301.361	3.468	10	20	DGCD	
CCN(CC)c1ccc(CNC(C)(C)CC(=O)OC)cc1F	236907235	PWJBMEOCHQSUBF-UHFFFAOYSA-N	310.413	3.103	10	20	DGCD	
O=C1/C(=C/c2cccnc2)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2	255509170	NIWLMFXDLWALFU-AAIDLCKJSA-N	316.451	3.471	10	20	DGCD	
CO[C@@H](C)c1nc(CNCc2c(O)cccc2Cl)cs1	267630889	NUWRAMFAWKBXEQ-VIFPVBQESA-N	312.822	3.499	10	20	DGCD	
CN(C)c1ccc(CNC2CCC3(CCCO3)CC2)cc1F	365072456	WYVFYKWFFCRMDH-UHFFFAOYSA-N	306.425	3.473	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@H](C)C1)c1ccc(Br)cc1O	273522851	UQJAPYAGIBGWEF-SCVCMEIPSA-N	314.223	3.373	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H](F)CC1CCCCC1	279848506	JXGKSWADLMISBN-AWEZNQCLSA-N	309.381	3.065	10	20	DGCD	
CC[C@@H](NC[C@]1(N(C)C)CCSC1)c1ccc(C)cc1O	280073920	LDXBCKSDMBKQJT-NVXWUHKLSA-N	308.491	3.179	10	20	DGCD	
CCOc1cccc(CN2CCCC[C@@H]2c2nc(C)no2)c1O	289907563	UWCGIFSXUJXGAY-CQSZACIVSA-N	317.389	3.210	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCSCCCO)c1O	808692841	VDAANUGJAATUGS-LLVKDONJSA-N	303.855	3.120	10	20	DGCD	
C[C@@H]1[C@@H](N2CCCC2)CCN1Cc1cc2c(cc1O)CCCC2	808194780	ZWXHNSVGTQFUBT-BEFAXECRSA-N	314.473	3.330	10	20	DGCD	
COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1OC	801512476	WOLAWTCPSYKTNV-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2c3ccccc3O[C@H]2C)cc1OC	290185642	ODYIWZRXDVANIR-VOJFVSQTSA-N	315.369	3.021	10	20	DGCD	
CC(C)N(CCO)Cc1ccc2c(c1)CCN2Cc1ccccc1	809541272	HRERZHXBSLDVIX-UHFFFAOYSA-N	324.468	3.452	10	20	DGCD	
C[C@H]1CCCN(c2ccc(CN[C@H](C)C3CNC3)cc2Cl)C1	817932732	XKSUHXQOGNIFPY-UONOGXRCSA-N	321.896	3.274	10	20	DGCD	
Oc1ccc(CCNc2cncc(-c3ccccc3)n2)cc1O	811811098	LHYXMOFSXGLHDR-UHFFFAOYSA-N	307.353	3.209	10	20	DGCD	
OCC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1	817419201	QYFUSGFIQZLFNC-LLVKDONJSA-N	301.789	3.169	10	20	DGCD	
COc1cc2c(cc1NCCS(C)(=O)=O)oc1ccccc12	819397553	FCXCJBBNRRPPGG-UHFFFAOYSA-N	319.382	3.051	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C(=O)O)CC[C@@H]2C)cc1	817881156	PEYMUBSSQYOOBA-HOCLYGCPSA-N	304.434	3.218	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3cccnc32)cc1	819844231	YQRYKRFLFZFVQE-GOSISDBHSA-N	323.440	3.274	10	20	DGCD	
CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccccc2O)c1C	827915893	DGNWKHFEAFAGFL-SNVBAGLBSA-N	300.358	3.031	10	20	DGCD	
C[C@@H]1CC[C@](CNCc2ccc3c(c2)CCCO3)(CC(=O)O)C1	900027452	QSMIWBOQGUUDSW-AUUYWEPGSA-N	317.429	3.382	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)Cc1sccc1C	822511291	BCHWSAYUOCDTHV-UHFFFAOYSA-N	319.426	3.327	10	20	DGCD	
CCn1ccnc1[C@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	825005945	VQKRIGCWUIEXRJ-VIFPVBQESA-N	324.768	3.021	10	20	DGCD	
Cc1ccc(O)c(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1	824893096	KBPIJTWSVXRKCF-SJORKVTESA-N	301.430	3.482	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c(O)c1	834898916	SSFIXYKARJVKFA-KZULUSFZSA-N	312.369	3.099	10	20	DGCD	
COC(=O)c1ccc(Cl)cc1OCc1cc(C(=O)O)oc1C	737691152	MCEYCDQYNLCXAD-UHFFFAOYSA-N	324.716	3.305	10	20	DGCD	
C[C@H]1CN(Cc2c(O)c(C(=O)O)cc3ccccc23)CCS1	736807270	GKQZTPMWSINNIP-NSHDSACASA-N	317.410	3.181	10	20	DGCD	
Cc1ccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)cc1C	746799083	ZOCINOVTAVMRPU-UHFFFAOYSA-N	314.404	3.367	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](CO)c2ccc(F)cc2)cc1C	840963939	TZSWDNBAERNWLK-MRXNPFEDSA-N	303.377	3.014	10	20	DGCD	
C[C@@H](CCc1ccccc1)NC[C@@H](N)c1ccc(N(C)C)cc1	841044573	DIJWMNZSZNUVFA-OXJNMPFZSA-N	311.473	3.363	10	20	DGCD	
Nc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1	841301192	FKLJNXDVVSYGRB-IRXDYDNUSA-N	311.385	3.311	10	20	DGCD	
CN1CCCc2cc(CNC(=O)C3C(C)(C)C3(C)C)ccc21	746181888	IWAOOIWSTRGQEJ-UHFFFAOYSA-N	300.446	3.367	10	20	DGCD	
CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]1C	840756826	CVZIQXWUVBPWJK-QEORTHHSSA-N	324.415	3.326	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1O	842612569	JVFAPCDLSDNEMI-GDBMZVCRSA-N	305.418	3.100	10	20	DGCD	
C[C@@H](CN)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1	843487350	DLUZQVODOMNEBJ-GJZGRUSLSA-N	312.413	3.077	10	20	DGCD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NCc1ccccc1O)C2	748459239	DKFHLNLGXOMYAC-YEWWUXTCSA-N	302.418	3.406	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1ccsc1	742952292	KFSQKGFSSQLTCG-ZZXKWVIFSA-N	314.410	3.253	10	20	DGCD	
COc1ccccc1C1(CNC(=O)Nc2ccc(N)cc2)CC1	841301253	HFBVBFXUSUPPTR-UHFFFAOYSA-N	311.385	3.131	10	20	DGCD	
CCc1noc(CC)c1CNCc1ccc(N(C)C)cc1C	840936610	MQYVGTFBUOKHBC-UHFFFAOYSA-N	301.434	3.464	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2c(OC)cccc2OC)c1	850505787	YCROBANAEPPGHU-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
Cc1cc(CNC(=O)NC(CF)CF)c(C)n1-c1ccccc1	858501274	HYCLSRIJCTYDNO-UHFFFAOYSA-N	321.371	3.201	10	20	DGCD	
Cc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cnc1Cl	760211199	NMXIAUMYWVQUEK-WQLSENKSSA-N	321.833	3.500	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@H](N(C)Cc3ccccc3)C2)c1	769499894	SJSZLOGKUAZNEI-IBGZPJMESA-N	310.441	3.407	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCCC12CCOCC2)c1ccccc1O	868582810	MVNFUTMXXHJUOO-CZUORRHYSA-N	318.417	3.102	10	20	DGCD	
CN(CC(=O)N(C)C1CCCCC1)Cc1cc(Cl)ccc1O	768303479	RZTWQTBUDFGKEC-UHFFFAOYSA-N	324.852	3.269	10	20	DGCD	
Cc1cccc(O)c1CN[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C	877602947	AJSYMOAWVCFUGJ-UONOGXRCSA-N	322.449	3.482	10	20	DGCD	
COc1cc(O)c(CN[C@@H](C)c2cnc(C)s2)cc1OC	877684845	AKRVMVRNCBGBNW-VIFPVBQESA-N	308.403	3.025	10	20	DGCD	
COc1ccc(CCCNCc2c(C)cccc2O)cc1OC	876985953	XZCMDIQTTVNFES-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
CO[C@@](C)(CN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1	876531849	RCAYMRIUNFIJIX-HKUYNNGSSA-N	319.445	3.188	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCS1	773613054	OUMHCXIILIBUOL-CZUORRHYSA-N	321.490	3.351	10	20	DGCD	
C[C@@H](NC(=O)N1CCSC(C)(C)C1)c1ccc(N(C)C)cc1	773610931	MXISHXVESCQYCF-CYBMUJFWSA-N	321.490	3.351	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2nccn12	770417516	CLPPNFBOPAVYFL-UHFFFAOYSA-N	322.412	3.063	10	20	DGCD	
C[C@H](NC(=O)Nn1cnc2ccccc21)c1ccc(N(C)C)cc1	773135478	NBEYRTINXYFDKI-ZDUSSCGKSA-N	323.400	3.117	10	20	DGCD	
Cc1cc(NS(=O)(=O)[C@@H]2C[C@H]2c2cccc(F)c2)ccc1O	882709706	UDBUCBDEHHWIKZ-GOEBONIOSA-N	321.373	3.138	10	20	DGCD	
COc1ccc(CN[C@H](CC(F)(F)F)C(C)C)c(O)c1OC	893889962	GUQSGIHEHFFHCA-LLVKDONJSA-N	321.339	3.476	10	20	DGCD	
COc1ccc(CNc2c(F)cc([N+](=O)[O-])cc2F)c(O)c1	795283655	FTIOZYKLVPAGAH-UHFFFAOYSA-N	310.256	3.199	10	20	DGCD	
CCC(C)(CC)C(=O)NCCNCc1ccc(OC)c(C)c1	1151606551	KUKLOUQJUACHTH-UHFFFAOYSA-N	306.450	3.036	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@H](C(F)(F)F)C1	1352657286	BUJMCKFORFOVPU-KOLCDFICSA-N	317.307	3.083	10	20	DGCD	
COc1ccc(N(C)[C@H](C)c2ncc(C(=O)O)s2)cc1OC	1607268478	WSPHUXXOVCOESM-SECBINFHSA-N	322.386	3.056	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H](C)CNC(=O)OC(C)(C)C)c(O)c1	227684612	UWIZBLKDBCXMJW-CHWSQXEVSA-N	308.422	3.264	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C)c1nc(C(=O)O)co1	1595891475	UHUYHZRRSYCWQI-LLVKDONJSA-N	304.346	3.052	10	20	DGCD	
C[C@H](NCCCN1CCCC[C@H]1C)c1cc(C(=O)O)ccc1O	1593267696	RAPALNWJVLTPSJ-KGLIPLIRSA-N	320.433	3.006	10	20	DGCD	
C[C@@H]1CCC[C@](NCc2c(O)ccc(Cl)c2F)(C(=O)O)C1	1776634742	CFBHWCMAQNZSHU-RFAUZJTJSA-N	315.772	3.308	10	20	DGCD	
CCCN(Cc1nc(N)c2ccccc2n1)Cc1ccccc1O	157057271	CRQAJIWFDVNSKE-UHFFFAOYSA-N	322.412	3.330	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2ccc(OC)cc2OC)c1	179568334	RBPALBPNBSFEAQ-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
Cc1nc(-c2ccccn2)nc(N(C)Cc2ccccc2O)c1C	302672855	SGNGGJFWQYHNFH-UHFFFAOYSA-N	320.396	3.497	10	20	DGCD	
Cc1cnccc1NC(=O)NCc1ccc2c(c1)CCCN2C	121978275	HGMMCVCDKYZNSU-UHFFFAOYSA-N	310.401	3.094	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCCOC(C)C	66688239	WSHHBFHFMKLBJT-UHFFFAOYSA-N	308.422	3.129	10	20	DGCD	
CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1	301256743	DNQHZLFEGPJIRS-UHFFFAOYSA-N	306.753	3.321	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	314033653	CLCWWFLHNQYZKR-STNZKUDTSA-N	304.346	3.175	10	20	DGCD	
COC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccc(C)o1	185630383	BDKYTQICKQTWOK-IUODEOHRSA-N	305.374	3.341	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)C[C@@H](C)O	74548862	NNCDMBJFZUHHNJ-CQSZACIVSA-N	322.449	3.111	10	20	DGCD	
CC(C)(C)c1cccc(NC(=O)c2cccc(O)c2O)c1O	193168884	DSTQRGVRRSGTOL-UHFFFAOYSA-N	301.342	3.353	10	20	DGCD	
Cc1ccc(CSCCNC(=O)Cc2ccc(N)cc2)cc1	237758683	SONWQAAANBSDGR-UHFFFAOYSA-N	314.454	3.169	10	20	DGCD	
CC1(C)CC[C@@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)O1	248567621	JSVVYAQRKGQHRZ-SJORKVTESA-N	319.445	3.331	10	20	DGCD	
Cc1nc(NCc2c(C)c3ccccc3n2C)c2cc[nH]c2n1	359845091	OLPQKWFJSVNBLZ-UHFFFAOYSA-N	305.385	3.679	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1	277776992	XISBAIGQPKQBRG-UHFFFAOYSA-N	321.398	3.289	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2ncnn2C(C)(C)C)cc1	282580013	VVQPYYILQPEJPL-UHFFFAOYSA-N	302.422	3.457	10	20	DGCD	
COc1ccc(N(C[C@@H]2CCNC(=O)CC2)[C@H](C)C2CC2)cc1	295019498	UPZDQRRTIMTWAU-CABCVRRESA-N	316.445	3.216	10	20	DGCD	
C[C@H](NCC(C)(C)N(C)C)c1cccc(C(F)(F)F)c1O	815553036	QIZCDOBHPWRCQJ-JTQLQIEISA-N	304.356	3.402	10	20	DGCD	
CCNCCN[C@H](C)c1cc(Br)cc(Cl)c1O	817951576	GTNFUYXCBYRQQL-MRVPVSSYSA-N	321.646	3.068	10	20	DGCD	
Cc1cc(C)cc(NC(=S)NCc2ncccc2N(C)C)c1	811709997	WFSOXFNHDYFYKX-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ccncn3)c2C)c1	819813702	HFKBJTLAKHIZAF-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
CC[C@H](CN[C@@H](C)c1cc(Br)cc(F)c1O)OC	810260050	CKHMHTCIEKPIBF-WCBMZHEXSA-N	320.202	3.369	10	20	DGCD	
CCc1nc(Cl)c(C)c(NCc2cc(OC)ccc2O)n1	811805005	HDAKDTCGXRLLFY-UHFFFAOYSA-N	307.781	3.327	10	20	DGCD	
CO[C@H](C)[C@@H](C)NC(=O)c1sccc1-n1c(C)ccc1C	812347303	JVYLYUMSTRRNPU-CHWSQXEVSA-N	306.431	3.309	10	20	DGCD	
Cc1noc([C@H]2CCCN2Cc2cc(Cl)c(C)cc2O)n1	825899765	DVTFHMOBZHQXCQ-CYBMUJFWSA-N	307.781	3.383	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ccc(O)c(F)c1	825678913	KHSUTLZNOFUBMM-UHFFFAOYSA-N	317.360	3.218	10	20	DGCD	
Cc1cc(CCNC(=O)[C@@H]2CC2(F)F)c(C)n1-c1ccccc1	822274060	NRGNFRRJNCBTCT-INIZCTEOSA-N	318.367	3.408	10	20	DGCD	
CCn1cc(-c2n[nH]cc2C(=O)N(C)c2cc(C)cc(C)c2)cn1	495128729	NUBUXUWMYDXFBE-UHFFFAOYSA-N	323.400	3.187	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)/C=C\c2ccc[nH]2)cc1F	588548284	JEQDLMPOPVIELE-NTMALXAHSA-N	315.392	3.330	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC(c3ccsc3)CC2)cc1	831975513	OKIUBTUGOJCCDT-UHFFFAOYSA-N	300.427	3.279	10	20	DGCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1	834898857	HHYOTVMNZSBJMQ-HOTGVXAUSA-N	317.477	3.242	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1Cc2ccccc21	839918448	MDAGRGXZDKWSQB-QRWLVFNGSA-N	322.452	3.448	10	20	DGCD	
C[C@H]1C[C@H](NCc2cc(N(C)C)ccn2)c2c(O)ccc(F)c21	903198071	FDUZDJNGASSORG-NHYWBVRUSA-N	315.392	3.330	10	20	DGCD	
C[C@H](NC[C@@H]1CCN1C)c1ccc(N2CCCCC2)c(F)c1	903323378	LPVLHZUPVKRZFV-HOCLYGCPSA-N	305.441	3.171	10	20	DGCD	
CC(C)Oc1cccc(CN(C)C(=O)Cc2ccc(N)cc2)c1	831457388	WDGFPRKTCHEYKM-UHFFFAOYSA-N	312.413	3.257	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(N)cc2)cc1	841301243	GXLMKQKKJPEKOS-UHFFFAOYSA-N	312.417	3.437	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H]2CCOC3(CCC3)C2)c1O	846168192	IBXUEVGJVDTRQA-UONOGXRCSA-N	305.418	3.401	10	20	DGCD	
CCc1cccc(CNc2cccc(C(=O)NC3CC3)c2)c1O	848877074	OYMZTPBSRAKVFX-UHFFFAOYSA-N	310.397	3.459	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)COc2ccccc2Cl)cc1	844352940	DPLVLDDSVHEIRB-AWEZNQCLSA-N	321.804	3.225	10	20	DGCD	
Cc1cccc2c1CC[C@@H]2NC(=O)NCCc1ccc(N)cc1	841790850	LCADKOYPQMIRNI-SFHVURJKSA-N	309.413	3.106	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1O	926922755	RRRRPMUGMGXQEN-JQWIXIFHSA-N	320.330	3.209	10	20	DGCD	
Cc1ccc(OCC(=O)NCc2cc(Cl)ccc2O)c(C)c1	857547836	WGQCXPFSVLRLFY-UHFFFAOYSA-N	319.788	3.358	10	20	DGCD	
Cc1cccc2nc(CN[C@H](C)c3cc(F)cc(F)c3O)cn12	756565715	YMXKUHGAQYAEQK-LLVKDONJSA-N	317.339	3.477	10	20	DGCD	
C[C@H](NCCC(=O)Nc1ccccc1)c1cc(F)cc(F)c1O	756575805	QLDACWNLZIFUSO-NSHDSACASA-N	320.339	3.350	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccc(F)c(C)c2)cc1	753592059	QIUPVHQCIPDKOI-UHFFFAOYSA-N	317.360	3.322	10	20	DGCD	
Oc1ccc(Cl)cc1CNCc1cc2c(nc1O)CCCC2	865879061	HCIQCZGWAOHMBF-UHFFFAOYSA-N	318.804	3.315	10	20	DGCD	
CN(C)c1ccc(CNCc2cc(F)ccc2N(C)C)cc1	865404429	KFMKGOLRBMEPLM-UHFFFAOYSA-N	301.409	3.248	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2CC2(F)F)c(C)n1-c1ccccc1	863163393	AQAPZHJXAVRFDB-OAHLLOKOSA-N	304.340	3.366	10	20	DGCD	
Cc1cc(CN(C)c2ccc(OCCN(C)C)cc2)c(C)o1	761224404	ZTHYVFBKIOJVFK-UHFFFAOYSA-N	302.418	3.473	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCC[C@@H]2C2OCCO2)cc1	769301145	MDLZUJCFKNZBEJ-GOSISDBHSA-N	318.461	3.260	10	20	DGCD	
CCN(CC)c1ccc(CN(CC(=O)OC)C(C)C)cc1F	768689762	UYMUDTIXILKEKC-UHFFFAOYSA-N	310.413	3.055	10	20	DGCD	
CCN(C)c1ccc(CN(C)[C@@H]2CCN(CC)[C@H](C)C2)cc1	773757076	YIFRJURBCFGZNN-VQIMIIECSA-N	303.494	3.447	10	20	DGCD	
Cc1cnc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	775432624	KHGWIQXQMMSTNS-LLVKDONJSA-N	304.419	3.400	10	20	DGCD	
Cc1nc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)oc1C	775434311	JQVRJCKZHDCNQL-LLVKDONJSA-N	302.378	3.240	10	20	DGCD	
CCN(C)c1ccc(CN(CCOC)Cc2cccnc2)cc1	773870097	WKMGAMUVHVCWIZ-UHFFFAOYSA-N	313.445	3.186	10	20	DGCD	
C[C@@H](NC(=O)N(C)C[C@@H]1CCCCO1)c1ccc(N(C)C)cc1	773622694	RWOCTDWUXQOEOH-PBHICJAKSA-N	319.449	3.024	10	20	DGCD	
COc1ncc(/C=C/C(=O)N(CC(C)C)c2ccccc2)cn1	775825601	WCOLHAXBBKTEOE-MDZDMXLPSA-N	311.385	3.188	10	20	DGCD	
OC1CCN(c2ccc(CN3CC[C@H](C4CCC4)C3)cc2)CC1	877592578	IKQBDNMTRFUXSX-SFHVURJKSA-N	314.473	3.270	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1	775411182	PINOUOZTIFNYDD-JOZWUWCOSA-N	309.413	3.347	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@H](C)c2cc(F)cc(F)c2O)cc1	786584826	UXAGJHWVQLOEAK-DOMZBBRYSA-N	321.367	3.233	10	20	DGCD	
CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccc2[nH]ccc2c1	788552042	XEIHVYJNVOHBKQ-QPJJXVBHSA-N	322.368	3.033	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H]2CCCN(CC(C)C)C2)c1O	894360489	WVLVBQLDLAKIGU-INIZCTEOSA-N	320.477	3.167	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCn2nc(C3CC3)cc2C1	896939242	CTQLFLMPUURDMY-UHFFFAOYSA-N	321.783	3.274	10	20	DGCD	
COc1ccc(CNC(=O)Cc2c[nH]c3cc(C)ccc23)c(O)c1	794380415	BXVLFDCEELUHBV-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
CCS[C@@H](C)c1noc(CN(C)Cc2ccc(N)cc2)n1	1337838521	OLJPOSTZVXARSN-NSHDSACASA-N	306.435	3.098	10	20	DGCD	
Cc1ccc([C@H](C)NCc2cccc(-c3nn[nH]n3)c2)c(O)c1C	1592136028	QWGYQKZQLKQHHL-ZDUSSCGKSA-N	323.400	3.040	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(CC)(CC)CN)cc1F	161284220	ZWDMUPYLPSTLKY-UHFFFAOYSA-N	323.456	3.053	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1C=CCCC1	158715376	NAKHOUUDOQMZGO-CQSZACIVSA-N	300.402	3.179	10	20	DGCD	
CCCC(=O)NC[C@H]1CCCN(Cc2cc(C)cc(C)c2O)C1	164264934	WMVWBKJDUWHRML-MRXNPFEDSA-N	318.461	3.137	10	20	DGCD	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)[C@@H](O)C(F)(F)F	865711829	RNWKCTLATMRRRI-GPXNAGAYSA-N	318.122	3.100	10	20	DGCD	
CCc1ccc([C@@H](C)C(=O)NCc2cccc(OC)c2O)cc1	105650030	ZWHRXCDJEZPIQA-CYBMUJFWSA-N	313.397	3.383	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@](C)(O)c2ccc(F)cc2)c(O)c1	186190018	OEWXSSDMQOSDGD-FZKQIMNGSA-N	303.377	3.398	10	20	DGCD	
CN(C[C@@H]1CCN(Cc2ccccc2O)C1)C(=O)OC(C)(C)C	180075596	BCJJWMPHXNZIHT-AWEZNQCLSA-N	320.433	3.081	10	20	DGCD	
CC[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	183474538	NLSNQIPKVQZWHU-BBRMVZONSA-N	313.397	3.339	10	20	DGCD	
COCCN(C)CCCN[C@@H](C)c1ccc2ccccc2c1O	185008704	NWSRJKDGIGHPDV-HNNXBMFYSA-N	316.445	3.164	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@H](c2ccccc2F)C1	180060022	MRNMQIXUUZCBKZ-KRWDZBQOSA-N	305.324	3.244	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1CCCC[C@@H]1C(F)(F)F	133939043	FCYPPRPGBPHTRK-RYUDHWBXSA-N	301.308	3.377	10	20	DGCD	
CC(C)C[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	181193287	ZNJAPRMTMOGTQX-PMGBHYCQSA-N	303.402	3.396	10	20	DGCD	
C[C@H](CC(=O)NCCCSc1nccs1)c1ccncc1	132292877	ZGXIXUQTXRNNKC-GFCCVEGCSA-N	321.471	3.330	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1cccc(F)c1	186988646	NHXHVUUFVNTIJK-CQSZACIVSA-N	301.317	3.214	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCC[C@@H]1N	321475051	BWWKHMWZKQPIMD-MSOLQXFVSA-N	317.477	3.009	10	20	DGCD	
Cc1noc(-c2ccccc2C(=O)N(C)Cc2ccccc2O)n1	136948718	PGODHRDHVRRMDW-UHFFFAOYSA-N	323.352	3.023	10	20	DGCD	
CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc2N1	193108757	TWGQKTYZCXPCTL-CQSZACIVSA-N	312.369	3.195	10	20	DGCD	
Cc1ccc(O)c(CN(C)CCCNC(=O)OC(C)(C)C)c1	93538636	RAMWVXGWEYMBTI-UHFFFAOYSA-N	308.422	3.047	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1	268945010	BBDYZGCQNUIEBW-DYVFJYSZSA-N	304.459	3.372	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCc2ccon2)c1C	271387068	IHCMNOPTEKQZEY-UHFFFAOYSA-N	323.396	3.363	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(CO)c1	270541371	XMFABWBSFXJASO-ZDUSSCGKSA-N	302.393	3.235	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CN(CC)C1CC1	282386128	DFJKOTCJVIFDFF-UHFFFAOYSA-N	304.434	3.005	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCOC2CCOCC2)c(O)c1	284946512	DZBACFUZWBLCJN-HNNXBMFYSA-N	307.434	3.245	10	20	DGCD	
CC[C@@H](NC[C@H](COC)OC)c1cc(Cl)cc(Cl)c1O	287885193	YQSCOFXIGFNFNR-ZWNOBZJWSA-N	322.232	3.401	10	20	DGCD	
O=C(NCc1c(F)cccc1N1CCCC1)c1cc(O)cs1	807664068	YZKWKTRFORZHQV-UHFFFAOYSA-N	320.389	3.123	10	20	DGCD	
C[C@@](CO)(NCc1cc(Cl)c(F)cc1O)c1ccccc1	816550075	HTIVMHFHGJKBFE-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ncn(-c3ccccc3)n2)c1	815657535	ASYJECVOZNDWBH-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
COc1ccc(N(C)Cc2cnn(C)c2Cl)cc1Cl	816565866	DRKDDEKXUJLGSC-UHFFFAOYSA-N	300.189	3.372	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@](C)(OC)C2CC2)cc1	812453883	WRQOLLSXAYDENP-IBGZPJMESA-N	318.461	3.306	10	20	DGCD	
Cc1[nH]nc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1C	728190830	JYYDDQZGRYYGAM-UHFFFAOYSA-N	309.373	3.081	10	20	DGCD	
Cc1noc(C(F)(F)F)c1C(=O)N[C@H](C)c1ccccc1O	827936887	FHETVRHGYXGINT-SSDOTTSWSA-N	314.263	3.198	10	20	DGCD	
CCC[C@H](OC)C(=O)N(Cc1ccco1)Cc1ccccc1O	825904451	AXNWWFGSUXYUGD-KRWDZBQOSA-N	317.385	3.329	10	20	DGCD	
CC[C@@](C)(CNCc1cc(Br)cc(C)c1O)OC	824743541	FVFZKAZFTIUNNK-AWEZNQCLSA-N	316.239	3.368	10	20	DGCD	
CC[C@H](NCc1cccc(S(C)(=O)=O)c1)c1ccccc1O	824790487	VSRQKPIPVDOJOS-INIZCTEOSA-N	319.426	3.037	10	20	DGCD	
Cc1cc(O)c(CN[C@@]2(CO)CCc3ccccc32)cc1Cl	825374580	CJLBYJLHPCPYPP-GOSISDBHSA-N	317.816	3.278	10	20	DGCD	
CC[C@@H]1C[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1	823730359	VHYUNNCTZFGDRD-HHXXYDBFSA-N	318.461	3.131	10	20	DGCD	
Cc1ccccc1CN(CC(=O)O)Cc1cc(Cl)ccc1O	738772277	YARXRCHKZYXYSH-UHFFFAOYSA-N	319.788	3.441	10	20	DGCD	
Cc1ccc(O)c(C(=O)NCCCSc2nccs2)c1	734358795	OOFFBTXLRPKMQX-UHFFFAOYSA-N	308.428	3.069	10	20	DGCD	
CCCOCc1ccccc1CNC(=O)c1cc(O)cs1	732273429	WESMYAMVKDDHLF-UHFFFAOYSA-N	305.399	3.310	10	20	DGCD	
CCOc1cccc(CN[C@@H](COC)Cc2ccccc2)c1O	747100910	XZVHDKYOOQTTCG-QGZVFWFLSA-N	315.413	3.138	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C=C2CCCC2)cc1	844852952	AXIJWQQDAWNGRP-UHFFFAOYSA-N	302.418	3.090	10	20	DGCD	
CC[C@H](C)n1nc(NC(=O)NCCc2ccc(N)cc2)cc1C	841174127	UNGSDYLPFMXGLV-LBPRGKRZSA-N	315.421	3.109	10	20	DGCD	
C[C@H](NC[C@H](CO)c1ccccc1)c1ccc(Cl)cc1O	841758412	MBQQTQOOSGNIBJ-GXTWGEPZSA-N	305.805	3.472	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC(=S)NCC1CC1	849263646	RVZPLIQYQCDCFM-UHFFFAOYSA-N	305.230	3.073	10	20	DGCD	
COc1ccc(N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1	844353402	VXUQISIBGMPFIU-QGZVFWFLSA-N	312.369	3.157	10	20	DGCD	
Nc1ccc(CCNC(=O)NC(C2CCC2)C2CCC2)cc1	841902528	CPELINVKCRRXEN-UHFFFAOYSA-N	301.434	3.079	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CN[C@@H](C)Cn3cncn3)c2C)c1	742724805	BGCKAAXQNGISGQ-HNNXBMFYSA-N	323.444	3.172	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)C4=CCOCC4)ccc31)CCCC2	843020371	GVULEGFQRMKNLO-UHFFFAOYSA-N	311.381	3.309	10	20	DGCD	
CCc1cccc(CN[C@H](C)c2ccc3nc(O)[nH]c3c2)c1O	848894091	CFBXYTUMYJKEIV-LLVKDONJSA-N	311.385	3.387	10	20	DGCD	
CC(C)N1CCC[C@@H](CN[C@@H](C)c2cc(F)cc(F)c2O)C1	756546348	OWFDCATVSIKMCA-STQMWFEESA-N	312.404	3.441	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cc(C3CC3)nn2C)c2c(O)ccc(F)c21	927100735	JBLWBGWAHCOYNO-MEBBXXQBSA-N	315.392	3.480	10	20	DGCD	
CCSCC[C@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O	756618415	PXNGTRYJTVLFFP-NWDGAFQWSA-N	311.447	3.361	10	20	DGCD	
COc1cc(CN2CC[C@@H](C)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1	857060661	CZMVEYTVGOSXPS-UKRRQHHQSA-N	321.461	3.149	10	20	DGCD	
COc1cc(CNCc2cc(C)[nH]n2)c(O)c(C(C)(C)C)c1	850151450	ZSDKMKYFKHIMCX-UHFFFAOYSA-N	303.406	3.020	10	20	DGCD	
COc1cc(CNC[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1	850058944	GFDQFQMWYKDRRB-CYBMUJFWSA-N	307.434	3.215	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2cn(-c3ccccc3)nn2)c(O)c1	756741119	CYJMCDSHRHVSPC-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2N(C)C)c(OC)c1	752126469	ZMCPOGIUNDVJAM-UHFFFAOYSA-N	300.402	3.406	10	20	DGCD	
COc1cc(CN[C@H]2CCCC[C@@H]2O)c(O)c(C(C)(C)C)c1	850135908	SIJORGXGLNNFNP-HOTGVXAUSA-N	307.434	3.091	10	20	DGCD	
CSCC1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	932592105	NHPLVPYBXBWXAG-UHFFFAOYSA-N	311.422	3.309	10	20	DGCD	
Cc1cc(NCc2cccc(Br)c2O)nnc1C	762651142	HLGOUOHGQDYVAB-UHFFFAOYSA-N	308.179	3.174	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C(F)(F)F)O1	769498220	SCWKDSQNQIFSAW-QPUJVOFHSA-N	309.715	3.197	10	20	DGCD	
CC[C@H](NCCCSc1nccs1)C1CCOCC1	766074652	YVEPQKMHLRXMQQ-ZDUSSCGKSA-N	300.493	3.420	10	20	DGCD	
CCOC(=O)[C@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1	768438010	NQFIERXZFKQALK-INIZCTEOSA-N	317.429	3.046	10	20	DGCD	
C/C(=C\C1CCC(C)CC1)C(=O)NCc1ccc(O)c(O)c1	866770315	VKOMWCNXEFGXJC-UKTHLTGXSA-N	303.402	3.487	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(C)ccc2O)cc1OC	768168734	MOFWOUSDNJBOLT-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCCO[C@H]2CC(C)C)c(O)c1	775371635	OPBCTTPEDSRACZ-AEFFLSMTSA-N	307.434	3.474	10	20	DGCD	
C[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1	779489735	SRZYVSZFMIJSGP-USEMIUTHSA-N	315.394	3.318	10	20	DGCD	
CCCCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774483314	JQNTXZDHFDTHIE-GJZGRUSLSA-N	305.466	3.098	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1	773017638	HYNBYIFNPYZVEU-AUUYWEPGSA-N	324.424	3.244	10	20	DGCD	
C[C@@H]1CC[C@@H]1N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	783244271	FOSUAYNJBVDWKD-WQVCFCJDSA-N	308.853	3.398	10	20	DGCD	
Oc1ccc(CCNc2nccc(Oc3ccccc3)n2)cc1O	788542904	SYTVMZOGZIZWPK-UHFFFAOYSA-N	323.352	3.335	10	20	DGCD	
CCc1ccccc1CNCc1ccc(OC)c(OC)c1O	893035728	BLMQTMRACYXQAV-UHFFFAOYSA-N	301.386	3.262	10	20	DGCD	
COc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1Cl	789943036	YTQZDIABZUYJQT-UHFFFAOYSA-N	311.696	3.151	10	20	DGCD	
C[C@H](NC[C@@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1O	790495874	CZEMILOMOBHVDA-NHYWBVRUSA-N	312.404	3.441	10	20	DGCD	
O=C(Nc1nc(-c2ccco2)cs1)c1c(F)ccc(O)c1O	790069203	NQCUISIXUHCMSL-UHFFFAOYSA-N	320.301	3.206	10	20	DGCD	
COc1cc(C)cc(CNC[C@]2(C)CC2(Cl)Cl)c1O	894898767	KWAKCLVQCWASEP-ZDUSSCGKSA-N	304.217	3.383	10	20	DGCD	
C[C@@H](CCO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796311209	VIKSWCHUANCCSH-INIZCTEOSA-N	310.441	3.110	10	20	DGCD	
CCCCC[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC	1320795130	QACBVPVLTRZQAU-SFHVURJKSA-N	318.461	3.498	10	20	DGCD	
CC[C@H](NC[C@@H](CO)CC1CCOCC1)c1ccc(C)cc1O	1322454778	FKJGBCQFCXLRLC-WMZOPIPTSA-N	321.461	3.167	10	20	DGCD	
CC(C)n1nccc1NC(=O)c1ccc(C2=S=CC=C2)s1	1342180811	PWQJSMHBUXYHMH-UHFFFAOYSA-N	317.439	3.404	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H](C2CC2)O1	1344378774	VNAFIBIGFBOXDB-HNAYVOBHSA-N	300.446	3.286	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCc1cccc2c1CCNC2	1580885883	QLBNPLRKUAVMOH-UHFFFAOYSA-N	320.795	3.120	10	20	DGCD	
CC[C@@H](CCC(=O)O)NCc1ccc2c(c1)CCCN2CC	1776710462	NLICAOMLHMTVOZ-INIZCTEOSA-N	304.434	3.192	10	20	DGCD	
CCC[C@H](CC(=O)O)NCc1ccc(N2CCCCC2)cc1	1776830392	OFWMZPARKXOEFQ-MRXNPFEDSA-N	304.434	3.410	10	20	DGCD	
CCN1CCc2cc(CN[C@H](C(=O)O)c3ccsc3)ccc21	1776884688	JPOKJLXOXHBMOP-INIZCTEOSA-N	316.426	3.046	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)Cc2cc(C)cc(OC)c2O)C12CCC2	164512209	CQSSEINRYDDPJN-DLBZAZTESA-N	319.445	3.489	10	20	DGCD	
CC[C@@H](N[C@H]1COc2c(cccc2OC)C1)c1ccccc1O	155623420	QLXNUTQRWNHGIR-GDBMZVCRSA-N	313.397	3.445	10	20	DGCD	
CN(CCOC(C)(C)C)Cc1ccc(Br)cc1O	689891666	AIIHRYLZNLSGOG-UHFFFAOYSA-N	316.239	3.402	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)s1	58768486	BEIRMZCRUJRMBU-UHFFFAOYSA-N	300.427	3.369	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(C)on2)cc1F	66906930	CXDUAYZWMYDGFF-UHFFFAOYSA-N	320.368	3.290	10	20	DGCD	
Cc1cc(C(=O)NC2(C)CCOCC2)c(C)n1-c1ccccc1	129961132	HUHBZQOIQGFTHB-UHFFFAOYSA-N	312.413	3.393	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2ccccc2OC)c1	182433554	JRJULQKTNXVOCI-CYBMUJFWSA-N	317.385	3.139	10	20	DGCD	
C[C@H]1CCC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1	31731404	RRSKXKFLGWKHER-YOEHRIQHSA-N	303.450	3.473	10	20	DGCD	
CC[C@](C)(CCO)NCc1cc(Br)cc(C)c1O	182626535	HUFUAPKUSRXFJA-CQSZACIVSA-N	316.239	3.104	10	20	DGCD	
C[C@@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccccc1O	183434928	XUAJOMBCYFAFTG-OAHLLOKOSA-N	324.424	3.365	10	20	DGCD	
C[C@H](NCCC(=O)N1CCCCCC1)c1ccc(N(C)C)cc1	129050237	FHERCNDYWQBVLK-INIZCTEOSA-N	317.477	3.196	10	20	DGCD	
COCC1=CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	187620446	BIDHQOZLMPFOEV-UHFFFAOYSA-N	302.201	3.478	10	20	DGCD	
O=C(O)[C@@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1O	316065030	PFYFYCUATCVETF-INIZCTEOSA-N	317.772	3.230	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2csc([C@@H](C)OC)n2)c1	182393085	XVPMLCAXGDENGD-GHMZBOCLSA-N	322.430	3.416	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCN(C3CCCCC3)C2=O)cc1C	131602396	MCYBOVZYRYAIQM-KRWDZBQOSA-N	316.445	3.032	10	20	DGCD	
Cc1cc(CN2CCC3(CC2)OCCO3)c(O)c(C(C)(C)C)c1	45715481	DENVWBRRSHLLLU-UHFFFAOYSA-N	319.445	3.337	10	20	DGCD	
CNCCc1ccccc1C(=O)N1CCc2ccc(Cl)cc21	423105511	NQMUEFSVJZCLCY-UHFFFAOYSA-N	314.816	3.305	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(F)ccc1O	92602160	LXUJURIEZLHURY-UHFFFAOYSA-N	303.333	3.289	10	20	DGCD	
CC(C)COc1cccc(C(=O)NCCc2ccc(N)cc2)c1	236695766	XCIYEJIGZDWBMG-UHFFFAOYSA-N	312.413	3.276	10	20	DGCD	
COC(=O)c1cnc(SC[C@@H](OC)c2ccccc2)s1	295374097	SONAGSXLSFCINR-LLVKDONJSA-N	309.412	3.410	10	20	DGCD	
COC(C)(C)CN(C)C(=O)NCc1c(C)c2ccccc2n1C	527176871	HXAQCQHNBKRTTQ-UHFFFAOYSA-N	317.433	3.053	10	20	DGCD	
Nc1ccc(CC(=O)Nc2cc([C@@H]3C[C@H]4CC[C@H]3C4)[nH]n2)cc1	269217356	LEDHQOWVNHCADD-KCQAQPDRSA-N	310.401	3.077	10	20	DGCD	
C[C@H](CC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1	269150910	RCENSDZWYLOXIA-CYBMUJFWSA-N	300.377	3.260	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)s1	274730569	AUNSNEJMRDOKAW-UHFFFAOYSA-N	311.428	3.488	10	20	DGCD	
CC(C)[C@H](C)C(=O)NCc1cccc(Br)c1O	277427175	DJIMNFLMKCRVPH-VIFPVBQESA-N	300.196	3.063	10	20	DGCD	
Cn1cc(CN2CCc3cc(F)ccc32)c(-c2cccnc2)n1	370270550	KDHGWLLIFSVSKK-UHFFFAOYSA-N	308.360	3.184	10	20	DGCD	
CC[C@H](NCCCOC1CCOCC1)c1ccc(F)cc1O	286091887	MCDQHIDHZCMUSP-INIZCTEOSA-N	311.397	3.158	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1	281139799	OFIQQPTWKQKRQE-INIZCTEOSA-N	324.424	3.186	10	20	DGCD	
Cc1nsc(C)c1C(=O)NCc1ccc2c(c1)CCCN2C	292186930	HNMBNFWCHIXTAJ-UHFFFAOYSA-N	315.442	3.072	10	20	DGCD	
COc1ccc(F)cc1/C=C1/SC(N2CCCCC2)=NC1=O	812241917	OPRWXGLKRHOWKF-GXDHUFHOSA-N	320.389	3.291	10	20	DGCD	
CN(Cc1ccccc1O)S(=O)(=O)CC12CCC(CC1)CC2	814384324	IRMNLBBHQJTJAE-UHFFFAOYSA-N	323.458	3.124	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cccc(C3CC3)c2)cc1	817864416	GTYPFISKDQYKKC-FQEVSTJZSA-N	309.457	3.420	10	20	DGCD	
Cc1cccc2c1OC[C@H](N[C@H](C)c1ccc(F)cc1O)C2	810259513	KLSOKKBRPXQNFJ-IUODEOHRSA-N	301.361	3.494	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)n1cccn1	819523790	BEZXQUPRJUHGML-OAHLLOKOSA-N	315.417	3.369	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl	824596177	CDOPXJUNSOYEHH-GFCCVEGCSA-N	305.809	3.457	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)c(C)cc2O)c(OC)n1	825955954	UXVORQKNFZRDND-UHFFFAOYSA-N	322.792	3.056	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCCCSc2nccs2)[C@H]1SC	838963456	VOGCUJWLSCTENL-IJLUTSLNSA-N	318.533	3.124	10	20	DGCD	
C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(O)cc1O	910949058	DRZMMTZKNMXMNC-AWEZNQCLSA-N	313.397	3.373	10	20	DGCD	
C[C@@H](N)[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	843051921	MWBSZPGJMBJSAD-AEFFLSMTSA-N	301.478	3.236	10	20	DGCD	
OCC[C@@H](NCc1cccc(Cl)c1O)c1ccccc1F	843429323	ARAVBRWNZMGSFT-OAHLLOKOSA-N	309.768	3.398	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@H](NCc2cc(Cl)ccc2O)[C@H]1C	846055198	JWEXOJPMPAUULT-MJVIPROJSA-N	311.809	3.113	10	20	DGCD	
COc1cccc([C@@H](C)NCCSCC(F)(F)F)c1O	846159885	RVMYLTQTSGZVOX-SECBINFHSA-N	309.353	3.347	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)cc(F)c1	743719813	VDVQBIRYXJZHPV-UHFFFAOYSA-N	317.335	3.479	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC[C@H]2CCCNC2)cc1	844220678	JLGYFPINFAURMF-QGZVFWFLSA-N	303.494	3.354	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H]2CCCCN2C2CC2)c1O	846166788	PDNKSBHEHVGNBB-DZGCQCFKSA-N	304.434	3.068	10	20	DGCD	
O=C1CCCCC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1	846475670	FALKFRBPKYDEKH-NSHDSACASA-N	309.793	3.201	10	20	DGCD	
C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H]1CCC[C@@H](C)C1	841915622	SDFCDFGBZSCGFY-YCPHGPKFSA-N	303.450	3.325	10	20	DGCD	
CCO[C@@H]1C[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)C12CCC2	756615090	VSFPVORDWWUSAF-HFBAOOFYSA-N	320.389	3.299	10	20	DGCD	
CC[C@H](NCc1cc(C2CC2)n(C)n1)c1ccc(F)cc1O	927108663	SGFGZFNMMYTNOP-HNNXBMFYSA-N	303.381	3.383	10	20	DGCD	
Cc1ccc(C(=O)Nc2nc3ccccc3s2)c(O)c1O	751533938	TVJOIFJRPCMUPO-UHFFFAOYSA-N	300.339	3.268	10	20	DGCD	
CC(C)N(CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(C)C	756626746	CDZKDXPXGGRAPD-CQSZACIVSA-N	323.437	3.460	10	20	DGCD	
C[C@H](NC1CCC2(CC1)OCCO2)c1cc(F)cc(F)c1O	756420055	VSFWWQIMQDKBRE-JTQLQIEISA-N	313.344	3.007	10	20	DGCD	
C[C@H](NC[C@H]1COc2ccccc2C1)c1cc(F)ccc1O	756457849	RRSMEYXDMPCEFP-STQMWFEESA-N	301.361	3.433	10	20	DGCD	
COC(=O)[C@@H](CC1CCCCC1)NCc1cc(C)ccc1O	756147499	RXIKOMXRSYJWOK-MRXNPFEDSA-N	305.418	3.302	10	20	DGCD	
CCN(CCNC(=O)OC(C)(C)C)Cc1cc(C)ccc1O	862468518	KDPVJMKLKONWEJ-UHFFFAOYSA-N	308.422	3.047	10	20	DGCD	
CCCN(Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O	768437838	KFVWITPBUYYFHF-GOSISDBHSA-N	313.397	3.230	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNCc3ccn(C)n3)c2C)c1	765787493	MDTVDYCAPSASMX-UHFFFAOYSA-N	308.429	3.426	10	20	DGCD	
O=C(C[C@H]1C=CCC1)NCc1cccc(Br)c1O	765751236	BNEYFDRSSJMNSQ-JTQLQIEISA-N	310.191	3.127	10	20	DGCD	
C[C@H](NC(=O)c1ccc2nccnc2c1)c1ccc(N(C)C)cc1	773000346	OQJYMCNKYNXFRH-ZDUSSCGKSA-N	320.396	3.187	10	20	DGCD	
CC(C)C1(C)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	777561207	GWJDGKQOPLMLBG-INIZCTEOSA-N	305.418	3.076	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](F)Cc2ccccc2)c1	778390171	LOYVJUAZTNXWMX-BLLLJJGKSA-N	317.360	3.159	10	20	DGCD	
CC/C(C)=C(/C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	779874637	RJLDWTLTRCEYRW-YARYAAFXSA-N	316.445	3.447	10	20	DGCD	
CCN(Cc1cccc(C)c1O)[C@H]1CCN(c2ccccc2)C1=O	775695586	NWESAYPVRVQBMK-SFHVURJKSA-N	324.424	3.328	10	20	DGCD	
COc1cccc(CNC(=O)CCCc2ccsc2)c1O	783589299	PEIBRFIZIGEPKD-UHFFFAOYSA-N	305.399	3.101	10	20	DGCD	
Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(N)cc2)s1	1120681053	DKMVKDZTUQIZJG-LLVKDONJSA-N	318.446	3.245	10	20	DGCD	
COc1ccc(NCc2cc(C)cc(OC)c2O)c(OC)c1	894097244	HKALOGPWVZDVLX-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cccc3c2CCO3)c1	794832562	ACUXMTSXTUYGOD-NSHDSACASA-N	313.353	3.287	10	20	DGCD	
CCc1nc(CN(CCC(C)C)c2ccc(OC)cc2)n[nH]1	796505206	QFOCAKWZPVPPCJ-UHFFFAOYSA-N	302.422	3.428	10	20	DGCD	
COc1cc(O)c(CNCC2(OC)CCCCCC2)cc1OC	898260646	IEXYQHPPOSOBET-UHFFFAOYSA-N	323.433	3.238	10	20	DGCD	
COc1ccc(CNC(=O)NCC2(CC(C)C)CCC2)c(O)c1	792992574	PYVBFCOLTYYALG-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
CCC(CC)(CC(=O)OC)NCc1c(O)ccc(Cl)c1F	790974305	RJHFLZRBYAQYQV-UHFFFAOYSA-N	317.788	3.396	10	20	DGCD	
COC(=O)c1ncc(NCc2cc(C)ccc2O)cc1Cl	795808923	RBLDRHBIOJQBOG-UHFFFAOYSA-N	306.749	3.148	10	20	DGCD	
CC[C@@H](C(=O)OC(C)(C)C)N1CCOc2cc(N(C)C)ccc21	792268671	OTVBISIXGVNSOD-AWEZNQCLSA-N	320.433	3.072	10	20	DGCD	
C[C@H](NCCCn1ccnc1)c1cccc(C(F)(F)F)c1O	798179917	SUMFYWWCZQFREY-NSHDSACASA-N	313.323	3.348	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCCNC(=O)C1CCC1	1323830800	TZGKOPOJOZXLRX-ZFWWWQNUSA-N	316.445	3.145	10	20	DGCD	
NC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1F	1330057895	KYQNWAMPUVEAMD-UHFFFAOYSA-N	313.376	3.137	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cc(O)nc(C2CC2)n1	1261297539	FAKNEJDFXJLZKH-UHFFFAOYSA-N	311.385	3.021	10	20	DGCD	
CCOc1ccc(CN[C@H](C)c2cc(C(=O)O)ccc2O)cc1	1610041825	DWSFOFQIOYOVBH-GFCCVEGCSA-N	315.369	3.340	10	20	DGCD	
C[C@H](NCCc1ccc(Cl)nc1)c1cc(C(=O)O)ccc1O	1593274771	NWGDJGBTNNTNPA-JTQLQIEISA-N	320.776	3.032	10	20	DGCD	
CCOc1ccc(N(C)Cc2ccc(C)c(-c3nn[nH]n3)c2)cc1	1590837317	LVVKKFJDIPGHQG-UHFFFAOYSA-N	323.400	3.210	10	20	DGCD	
CCC[C@@H](CC(=O)O)NCc1ccc(N(CC)CC)c(F)c1	1776828189	NHEFWBSIIIISIO-AWEZNQCLSA-N	310.413	3.405	10	20	DGCD	
CCC[C@@H](CC(=O)O)NCc1cc(Cl)cc(Cl)c1O	1776827340	JXMRTJRBCBUNDS-JTQLQIEISA-N	306.189	3.432	10	20	DGCD	
O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(O)c(O)c1	158965549	ZXVYLAHOAAUHNS-UHFFFAOYSA-N	324.380	3.218	10	20	DGCD	
C[C@H]1CSc2ccccc2N(C(=O)/C=C/c2cnn(C)c2)C1	159668507	DGMXOTJMVMVHRO-SBDDDAINSA-N	313.426	3.208	10	20	DGCD	
COC1CCC(NCc2c(O)cccc2Br)CC1	706863891	XNQOIXQJMCBEPN-UHFFFAOYSA-N	314.223	3.202	10	20	DGCD	
CC[C@H](NCCCONC(=O)OC(C)(C)C)c1ccccc1O	897426283	PBKZQBZHOGMPDR-AWEZNQCLSA-N	324.421	3.279	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccnn1C(C)C	115640439	FSRQAHXIPAGMFC-UHFFFAOYSA-N	315.421	3.160	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(Cl)cc2C)c1O	119643763	AQXYUJUDROAVIJ-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
Oc1ccc(F)cc1CNC1(c2ccc(F)cc2)CCOCC1	180724226	FYHYNKJRCWFPMC-UHFFFAOYSA-N	319.351	3.466	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)CCc2ccccc2)cc1F	182461767	WHXNPLGOIUSUDM-INIZCTEOSA-N	303.377	3.264	10	20	DGCD	
Cc1cccc(C[C@H](CO)NCc2cccc(Cl)c2O)c1	191683817	OLYXUPPLRAWTGK-OAHLLOKOSA-N	305.805	3.047	10	20	DGCD	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCc2ccccc2O)C1	382452248	GIPKYDQFHHVTMQ-ZFWWWQNUSA-N	320.433	3.175	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H]2CN2CCCCC2)c1	92219114	QEQSRXRCSYJQGF-QGZVFWFLSA-N	318.461	3.241	10	20	DGCD	
CCN(CC)c1ccc(CN(CCCO)CC(F)(F)F)cc1	93044849	DCBPXSVNPVTHIX-UHFFFAOYSA-N	318.383	3.280	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1CCCc2cc(F)c(F)cc21	255369689	DUPLJSXWCNEBSB-WAYWQWQTSA-N	300.308	3.352	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc3cn(C)nc3c2)c1	527966963	WJPZDWFIUPJXJW-LBPRGKRZSA-N	311.385	3.138	10	20	DGCD	
CN(CC(C)(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1	265952000	UPALCQDUCCBTIJ-UHFFFAOYSA-N	301.434	3.250	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c(O)c1	273481196	MBKJQBDLDFIWMX-MAUKXSAKSA-N	324.424	3.152	10	20	DGCD	
COC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CCC1	277009663	ZPHJOVZVBABCNB-UHFFFAOYSA-N	318.461	3.449	10	20	DGCD	
CC(C)(C)OCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	272167823	PGJBKJVNDKONDY-UHFFFAOYSA-N	324.384	3.150	10	20	DGCD	
COCC[C@@H](NCc1cccc(OC)c1O)c1ccc(C)o1	272378693	YEDAXPQTNLVPHE-CQSZACIVSA-N	305.374	3.170	10	20	DGCD	
CN(C)c1ccc(CN[C@]2(C)CCOC2)c(C(F)(F)F)c1	280391232	VAJZUPYYWGBTQC-CQSZACIVSA-N	302.340	3.040	10	20	DGCD	
C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1O	370373365	JBCBKOOKPVNZDC-SJCJKPOMSA-N	300.377	3.369	10	20	DGCD	
CC[C@H](NCc1ccc(NC(C)=O)nc1)c1ccc(F)cc1O	286378512	ANULGXYTOXFJAU-HNNXBMFYSA-N	317.364	3.126	10	20	DGCD	
CCOc1cccc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1O	290369887	ANTWTWCXALTQQI-AWEZNQCLSA-N	321.808	3.088	10	20	DGCD	
CCN(Cc1nc(C(C)C)no1)c1ccc(OC)c(OC)c1	299251385	BMNMGMPPMGIWRM-UHFFFAOYSA-N	305.378	3.237	10	20	DGCD	
CCc1ccc(CNC[C@@H]2CCN(c3ccc(OC)cc3)C2)o1	818222615	VAYNPBKGFFJRMH-HNNXBMFYSA-N	314.429	3.467	10	20	DGCD	
C[C@H](N[C@H](CO)C1CCCC1)c1cc2c(cc1O)CCCC2	810259547	LQMZWJJQCOVZFU-SCLBCKFNSA-N	303.446	3.473	10	20	DGCD	
C[C@H](N[C@@H]1CCN[C@H](C)C1)c1cccc(C(F)(F)F)c1O	817970894	GVZLGZJOHYTVPK-OUAUKWLOSA-N	302.340	3.202	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCOc1ccc(F)cc1	816532898	ZXPCTUZIWXNHQW-UHFFFAOYSA-N	313.731	3.492	10	20	DGCD	
CSC1(CN[C@H](C)c2cc(C)ccc2O)CCN(C)CC1	810252939	WZFPZRYMHIYAHF-CQSZACIVSA-N	308.491	3.179	10	20	DGCD	
CC(C)(C)OC(=O)c1cccnc1NCc1ccccc1O	825667846	IKHLUACEOAMIGZ-UHFFFAOYSA-N	300.358	3.355	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl	826048659	JSPBXGZXTCHCEB-BMFZPTHFSA-N	309.837	3.479	10	20	DGCD	
COc1ccc(N(CCCN2CCCC2=O)C(C)C)cc1F	725816066	GLPZWDSGFNOCDM-UHFFFAOYSA-N	308.397	3.062	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H]1C=CCC1	839915824	LFORZSYGGGOHEZ-HZPDHXFCSA-N	300.446	3.465	10	20	DGCD	
CCCCN(C(=O)c1cccc(O)c1O)[C@@H]1CCCC[C@H]1OC	836862677	TYPFWRTVMGWLSV-GDBMZVCRSA-N	321.417	3.298	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@@H](C)c2ccc(F)cc2O)cc1C	834916445	YUAZMYYJKJOXHB-WMLDXEAASA-N	317.404	3.402	10	20	DGCD	
Cc1ccc(N2CC[C@@H](N[C@@H]3CCc4cccc(O)c43)C2=O)cc1	834668241	IXTNSKFOMBTWNA-IAGOWNOFSA-N	322.408	3.083	10	20	DGCD	
Cc1ccccc1C1(C(=O)NCc2ccc(O)cc2O)CCC1	910947525	GIXSUWMAZXJRNI-UHFFFAOYSA-N	311.381	3.144	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(F)cc(Cl)c2O)cc1	748008249	KOAAMWJPYZOFHG-UHFFFAOYSA-N	322.767	3.181	10	20	DGCD	
COc1cc(C)cc(CN(C)C[C@@](C)(O)c2ccccc2)c1O	842629115	ZANPKHQKGUWZRC-LJQANCHMSA-N	315.413	3.049	10	20	DGCD	
CCCC[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCC1	841957654	KQQVUVONSXKKLE-KRWDZBQOSA-N	303.450	3.469	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@]1(CO)CCCc2ccccc21	840942428	MTUXLUMEPCKQJK-NRFANRHFSA-N	324.468	3.375	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H](CCC(=O)O)C2)cc1	846281901	RUWHRXCGIJEZGY-OAHLLOKOSA-N	304.434	3.220	10	20	DGCD	
Cn1cnc2cc(CNCc3ccc4c(c3)CCCO4)ccc21	922479801	DHIVAUYHUBVHRN-UHFFFAOYSA-N	307.397	3.188	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cc(Br)ccc2O)n[nH]1	756587070	YWEAOAUKYSZORS-SECBINFHSA-N	310.195	3.037	10	20	DGCD	
CC1=C(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCC1	752150445	ARLBXURGVZVCNX-MRXNPFEDSA-N	315.413	3.400	10	20	DGCD	
C[C@H]1C[C@H](NCc2cccc(CO)c2)c2c(O)ccc(F)c21	756547329	AVSUZJJKXFHLLN-NHYWBVRUSA-N	301.361	3.362	10	20	DGCD	
C[C@H](N[C@H](C)COc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756495499	RVZHMIMCEQUEIV-OLZOCXBDSA-N	316.357	3.419	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(N(C)C)cc1	850503124	ULOSYEHWYMGLSQ-XNGFIGEISA-N	322.518	3.483	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CC(C)(C)OC2(C)C)c1	757630482	KRKAZCCBFXREQZ-XHDPSFHLSA-N	321.417	3.176	10	20	DGCD	
C[C@H](NCCN1CCC[C@H]1C)c1cc2c(cc1O)CCCC2	756614934	CIEVMOFBOAHOOQ-CABCVRRESA-N	302.462	3.406	10	20	DGCD	
Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H](C)c1ccccc1O	868432838	GABDYALFNGPBRN-GHMZBOCLSA-N	317.389	3.161	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCOc2c(C)cccc2C)c1	862760779	VZIIWESAOIVDHU-UHFFFAOYSA-N	313.397	3.403	10	20	DGCD	
CN1C[C@@H](N(C)Cc2cc(-c3ccccc3)ccc2O)CCC1=O	862428438	QGHFIPAJGMOBKB-SFHVURJKSA-N	324.424	3.112	10	20	DGCD	
Oc1cccc(Br)c1CNc1ccc(C2CC2)nn1	865291606	PHDDFIULDGDMBW-UHFFFAOYSA-N	320.190	3.434	10	20	DGCD	
CCc1nc([C@H]2CCCCN2Cc2c(O)cccc2OC)no1	768969359	ZCCWZKDNFRCXCZ-CYBMUJFWSA-N	317.389	3.073	10	20	DGCD	
CN(C)c1ccc(CNc2ccc3nc(O)[nH]c3c2)cc1F	863989527	RTTRIPUXORPHTH-UHFFFAOYSA-N	300.337	3.086	10	20	DGCD	
CCOc1ccc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1	766090536	VIMNBYAPDZRDIG-IAGOWNOFSA-N	307.434	3.473	10	20	DGCD	
C[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	769446154	HYOZIQVPKSHKOB-BONVTDFDSA-N	305.333	3.057	10	20	DGCD	
CCN(C)c1ccc(CN2CCOC[C@@H]2c2cccn2C)cc1	1116821361	OWULXCXQPWRZMK-LJQANCHMSA-N	313.445	3.055	10	20	DGCD	
CC(=O)Nc1ccc(NCc2c(C)c3ccccc3n2C)nc1	1117357904	YFEOGDMLLDPFSN-UHFFFAOYSA-N	308.385	3.452	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@@H](c1ccco1)N1CCCC1	882879031	DKBVLMIAMFLGRE-HNNXBMFYSA-N	322.355	3.190	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776931487	SBWDLUCQONCPCO-BZYZDCJZSA-N	315.442	3.408	10	20	DGCD	
COc1ccc2c(c1)[C@@H](NCc1cc(F)cc(F)c1O)CCO2	883089958	YHXZIKPGVNYPKU-HNNXBMFYSA-N	321.323	3.292	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1	886513147	VHPZPYJLJWCSHK-DNVCBOLYSA-N	323.440	3.256	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1F	783727816	FOKGCJVENIDUKS-QGZVFWFLSA-N	308.441	3.265	10	20	DGCD	
COc1ccc(CN[C@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1OC	893255517	JUDJLKODIVGYAJ-ZFWWWQNUSA-N	323.433	3.093	10	20	DGCD	
C[C@@H]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	793275092	VMNNBCCRBSQIPB-GDBMZVCRSA-N	303.450	3.330	10	20	DGCD	
CCCN1CCC[C@H]1CNCc1c(O)ccc(Cl)c1F	796520951	MWUUGPCWGLQSHM-NSHDSACASA-N	300.805	3.149	10	20	DGCD	
O=C(c1cccc(O)c1O)N(Cc1c(F)cccc1F)C1CC1	791027448	SFNKNJZVBUDNNZ-UHFFFAOYSA-N	319.307	3.181	10	20	DGCD	
CCOC(=O)c1cc(N(C)Cc2ccccc2O)ncc1Cl	795119485	METOSIGPXFLKKG-UHFFFAOYSA-N	320.776	3.254	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)CNCC2	1236189770	NDFCTECERXRQPX-UHFFFAOYSA-N	309.457	3.030	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2nc(C)cs2)cc1	1318948994	XIXIUIISDBQHIV-UHFFFAOYSA-N	303.431	3.228	10	20	DGCD	
COc1ccc(CN[C@H]2CCC[C@@H](F)C2)cc1Cn1cccn1	1332314621	ZULPUVHKGGAPSY-SJORKVTESA-N	317.408	3.310	10	20	DGCD	
O=C(O)CC[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1	1777641108	LKJFYFQFBXNWHI-DKTWLAJQSA-N	318.200	3.432	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCCO1	111592981	PQXBMXITEDODCI-INIZCTEOSA-N	305.418	3.480	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC2[C@H](C)CCC[C@H]2C)c1	176078523	GRVKHYUCQPRCJL-VXGBXAGGSA-N	306.406	3.025	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2CCC[C@H]2C1	121504169	KDJVETJNFOKAFQ-CALCHBBNSA-N	311.429	3.004	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)CN2CCC[C@H](C)C2)c1	185123448	DXVSQYMMCZUZKR-ZNMIVQPWSA-N	306.450	3.172	10	20	DGCD	
CC1(CO)CCN(Cc2ccc(N3CCCCC3)cc2)CC1	184074084	IDEDFLGIGAFZIC-UHFFFAOYSA-N	302.462	3.271	10	20	DGCD	
CCCN1CCC(NCc2ccc(N(CC)CC)cc2)CC1	78421889	FXORDFDXXKFHKQ-UHFFFAOYSA-N	303.494	3.497	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCC(=O)NCc2ccccc2)c1	185252339	FTCLRTGDMKHCDA-HNNXBMFYSA-N	312.413	3.058	10	20	DGCD	
CCOCCCN1CC[C@H](N[C@@H](C)c2ccccc2O)[C@H](C)C1	183515041	KVLBRBOPCKJWIC-RYRKJORJSA-N	320.477	3.180	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](C)CN2CCCCC2)c1O	228670920	BHMDABGREFSMOO-LBPRGKRZSA-N	312.841	3.018	10	20	DGCD	
C[C@H](N[C@H](C)C[S@@](C)=O)c1cc(Cl)c(Cl)cc1O	193280367	ALSFMWDXLWIRHL-PUERIAAYSA-N	310.246	3.117	10	20	DGCD	
COc1cccc(CNc2ncnc3sc(C)cc23)c1O	90089524	GDSARZGIVXRLQY-UHFFFAOYSA-N	301.371	3.326	10	20	DGCD	
CC[C@@](C)(NC(=O)Cc1ccc(N)cc1)c1nc(C)cs1	237060771	GXCSSTJGNSRSMS-MRXNPFEDSA-N	303.431	3.018	10	20	DGCD	
CCc1ccc([C@H]2COCCN2Cc2cccc(OC)c2O)o1	93459408	LRCKHKNXJVYVMD-OAHLLOKOSA-N	317.385	3.130	10	20	DGCD	
CC(C)CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	248290822	SQTVOSNXDREZDI-MRXNPFEDSA-N	305.418	3.336	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCSCC1	264934252	ZBWOVJBXAKIEFM-UHFFFAOYSA-N	304.459	3.046	10	20	DGCD	
CCOc1ccc(O)c(CN2CC[C@@H](C3CCOCC3)C2)c1	370725249	QKNRSEOBZYGNBZ-OAHLLOKOSA-N	305.418	3.039	10	20	DGCD	
CN(C)c1ccc(CNCc2c(F)ccc(O)c2F)cc1F	294345435	SIPALUQJMFMICX-UHFFFAOYSA-N	310.319	3.165	10	20	DGCD	
Oc1cccc2c1[C@@H](NC1CCN(c3nccs3)CC1)CC2	296372250	IUGLDVXTDMDXDP-AWEZNQCLSA-N	315.442	3.095	10	20	DGCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccsc1	800888473	FJAJTLWPDDDVED-HNNXBMFYSA-N	315.486	3.351	10	20	DGCD	
CCN(Cc1cc(OC)c(OC)cc1O)[C@H]1CCOC(C)(C)C1	291624602	RWOGZJZBIJASHA-AWEZNQCLSA-N	323.433	3.189	10	20	DGCD	
COC1CCN(c2ccc(CN(C)[C@@H]3CCSC3)cc2)CC1	294879402	FBTGUXSQZFYNEK-QGZVFWFLSA-N	320.502	3.239	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@H](O)Cc2cccc(F)c2)c(O)c1	297216064	GZVCBKSSCUFABA-PBHICJAKSA-N	317.404	3.402	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H]1COC3(CCCCC3)O1)CC2	296979584	RVVGHKSPBQBZEK-LSDHHAIUSA-N	303.402	3.045	10	20	DGCD	
C[C@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1	813875175	IGPGVLIFSZUHOG-MRHSLFKSSA-N	302.462	3.344	10	20	DGCD	
CCCOc1ccccc1NC[C@H](O)COc1ccccc1	819397658	GUGMQWBHQQMINP-HNNXBMFYSA-N	301.386	3.327	10	20	DGCD	
Cc1ccc(C[C@H](CO)NCc2cc(Cl)c(F)cc2O)cc1	816588260	JOPNYNMUZNVYRO-CQSZACIVSA-N	323.795	3.186	10	20	DGCD	
CCNCCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	817942669	CNXBEKUZDBJZJJ-OAHLLOKOSA-N	307.457	3.466	10	20	DGCD	
COc1cc(CNCc2cccc(OC)c2O)ccc1Cl	825144123	LEKKOYJVFGXPSF-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
C[C@@H](C(=O)N[C@H](C)c1ccccc1O)N1CCc2ccccc21	827930602	MJYMQNFATWYQQZ-KGLIPLIRSA-N	310.397	3.021	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O	824721722	IFSFWLMHAOSDKQ-ZLKJLUDKSA-N	313.800	3.310	10	20	DGCD	
CC[C@](O)(CC(=O)N[C@H](C)c1ccccc1O)c1ccccc1	827952419	RNGFOCCZDKADDF-KUHUBIRLSA-N	313.397	3.257	10	20	DGCD	
CN(Cc1ccc(Br)cc1O)Cc1cccn1C	824851048	RTQNFRBIYIGFKE-UHFFFAOYSA-N	309.207	3.125	10	20	DGCD	
CCN(CC)c1ccc(CNC2(CC(=O)O)CCCC2)cc1	901686285	DSHUTURSCCYVQU-UHFFFAOYSA-N	304.434	3.410	10	20	DGCD	
Cc1cc(C)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(C)c1	916591098	PRZSHBVBKPKLLO-UHFFFAOYSA-N	314.337	3.063	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](C2CCN(C)CC2)C1	840949418	WZZPLUPXEAGXQP-LJQANCHMSA-N	315.505	3.225	10	20	DGCD	
Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc(N)cc3)C2)cc1	841298562	BKAYMLMOSJJKHQ-KRWDZBQOSA-N	324.428	3.368	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)C1CCOCC1	840892826	DQVVFVGORCKDJA-HOTGVXAUSA-N	304.478	3.397	10	20	DGCD	
C[C@@H]1CCCC[C@H]1NC(=S)NCc1ccc(N(C)C)c(F)c1	746685491	QRBAJJVJCKIYEY-IUODEOHRSA-N	323.481	3.435	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCc1nnc(C2CC2)s1	840973019	BINJXLAJWWLPIY-UHFFFAOYSA-N	313.785	3.203	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1cc(F)cc(F)c1O)C(=O)OC(C)(C)C	848562110	HCOYTYKUXPWYNG-UWVGGRQHSA-N	315.360	3.299	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC2(CSC)CC2)c1	850508625	VDFOFJWOSZFQLG-LBPRGKRZSA-N	323.458	3.363	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)CC(C)(C)OC)cc1	758703143	SFHUNMQOFVDLTP-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)cc1	858605349	RTSJRAJLGZDTFM-KRXQYRFLSA-N	318.461	3.209	10	20	DGCD	
COc1cc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)ccn1	756402761	YKGBQBNQSJKSHG-GWCFXTLKSA-N	302.349	3.273	10	20	DGCD	
CNC(=O)CC1(CN[C@H](C)c2cc(C)ccc2O)CCCCC1	850558055	ZCZAUERZRLMLFY-OAHLLOKOSA-N	318.461	3.438	10	20	DGCD	
CC[C@](C)(NC(=O)N[C@H](C)c1ccccc1O)C(F)(F)F	933507670	YBINBEFRKOFZLK-RNCFNFMXSA-N	304.312	3.483	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1C(C)=O	935949275	XCCIOJKHUCDTRX-UHFFFAOYSA-N	318.369	3.011	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccsc1C	935948919	SNYNUJRXLCBZKD-UHFFFAOYSA-N	310.415	3.107	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H]1CCCN1CC(F)F	862468860	QIWXEDKWRNSMGJ-NSHDSACASA-N	322.758	3.004	10	20	DGCD	
COc1ccc(O)c(CN(C)c2ccc(OC)c(OC)c2)c1	761223267	YXSQBBSTPSAXMX-UHFFFAOYSA-N	303.358	3.054	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCCN(C(=O)OC)C2)cc1	765628112	BISYORDQEDJGDR-HOCLYGCPSA-N	319.449	3.024	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@@H]([C@H]2CCNC2)C1	1118242849	LFADTAATQPBKKR-RBUKOAKNSA-N	313.489	3.108	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CC[C@@H]3SCCS[C@H]31)CCO2	762620394	ZXVIXRLZXDBVQW-KBMXLJTQSA-N	307.484	3.091	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H](C(C)(C)O)C2)c1O	877796330	DDKSTYVBAKSYNF-GFCCVEGCSA-N	313.825	3.037	10	20	DGCD	
C[C@H](N[C@H](CO)CC(F)F)c1cc(Cl)c(Cl)cc1O	774381345	MGMJIXDGDKSOQI-BQBZGAKWSA-N	314.159	3.366	10	20	DGCD	
COc1ccc(COCCCNCc2ccc(C)cc2O)cc1	877005284	QUNYDVJKFKEIDE-UHFFFAOYSA-N	315.413	3.406	10	20	DGCD	
CC[C@H]1CC[C@H](C)N1Cc1ccc(N2CCC(O)CC2)cc1	877531447	MXCZQNMJGQPGOF-RDJZCZTQSA-N	302.462	3.411	10	20	DGCD	
CCN(C(=O)/C=C\c1cnc(OC)nc1)c1cc(C)cc(C)c1	775782193	DGCICVHXMVQQTH-SREVYHEPSA-N	311.385	3.168	10	20	DGCD	
CC[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1	773105582	HWXYOTQFKKWLIE-TZMCWYRMSA-N	304.356	3.107	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1O	774964003	MOWITFDTXHGWTB-YPMHNXCESA-N	308.378	3.367	10	20	DGCD	
CC(C)n1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1	787298487	AKTPFKZOKPRVPG-ZDUSSCGKSA-N	300.406	3.021	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCCc2ccsc2)c1	1122366758	WDWBBSYTWAIKPW-UHFFFAOYSA-N	304.415	3.194	10	20	DGCD	
COc1cc(Cl)cc(CN2CCc3ncsc3C2)c1O	783746025	URLABHPITJRXEJ-UHFFFAOYSA-N	310.806	3.069	10	20	DGCD	
CCOC(=O)[C@@H](CC)N(Cc1ccc(N(C)C)c(F)c1)C1CC1	787441546	XNXGYEFCHLRTBK-MRXNPFEDSA-N	322.424	3.198	10	20	DGCD	
COc1cc(Br)cc(CN[C@H]2CC[C@H](C)C2)c1O	780579101	ZDSLEYZVHPIHME-CABZTGNLSA-N	314.223	3.442	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)Cc2cccc(O)c2)c1O	894238973	WWYOIILOTCLENA-CYBMUJFWSA-N	301.386	3.136	10	20	DGCD	
COCCN(Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CC[C@H](C)C1	792465204	LXSICOGRLVIKLE-BLLLJJGKSA-N	323.408	3.371	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCc1cnn2ccccc12	796480510	MGKZUEKOWRBZDI-UHFFFAOYSA-N	305.740	3.122	10	20	DGCD	
CC[C@@H](C)CC[C@@H](O)CC(=O)N(C)Cc1ccc(N(C)C)cc1	792878344	QJSDBBFASOBZPC-CRAIPNDOSA-N	320.477	3.288	10	20	DGCD	
CC(C)CNC(=O)CN[C@H](C)c1ccc(N2CCCCC2)cc1	1319858660	IPLFZJFEDLQVPT-MRXNPFEDSA-N	317.477	3.100	10	20	DGCD	
Cc1ccc(CN[C@H](C(=O)O)c2ccc(F)c(C)c2)c(O)c1	1607783350	ZNBGYIOXYNPPMV-INIZCTEOSA-N	303.333	3.064	10	20	DGCD	
C[C@H](CNCc1c(O)cccc1Cl)NC(=O)OC(C)(C)C	227683214	RTUKARHCFFCEOM-SNVBAGLBSA-N	314.813	3.048	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)C2(C)CC2)cc1F	1776860447	GNTHIPMFEGBBGV-OAHLLOKOSA-N	308.397	3.015	10	20	DGCD	
CC[C@H](C)NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	15571554	IAAUUUXFPMFCPE-INIZCTEOSA-N	317.477	3.023	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C	161298414	NBBRNMJAPKMYDA-OLZOCXBDSA-N	307.413	3.079	10	20	DGCD	
COc1ccc(O)c(CNCc2ccccc2Br)c1	48819841	GVFHYBMDVDRONM-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc(Cl)cc1[N+](=O)[O-]	51361011	GMPWQBSPVGFVTO-UHFFFAOYSA-N	311.677	3.427	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCn3cccc3[C@@H]2C)c1O	177236868	JHADCXPTKPDIRQ-NSHDSACASA-N	302.349	3.112	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccco1	305160444	WWHXCYVSFLOVPT-OAHLLOKOSA-N	314.429	3.339	10	20	DGCD	
COc1ccc(N2CCC(Nc3cc(C)nc(C)n3)CC2)cc1	301178226	MDSLALQGLYLXGA-UHFFFAOYSA-N	312.417	3.183	10	20	DGCD	
CCc1ccc([C@@H](COC)NCc2ccc3c(c2)CCO3)o1	174476071	LFOPVZMZOXRNGW-MRXNPFEDSA-N	301.386	3.254	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@H](O)c1ccc(C#N)cc1	305056789	CUMYGJFMKFCUIZ-IBGZPJMESA-N	310.397	3.209	10	20	DGCD	
CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2cc(C)ccc2O)C1	185657327	UWXNLBUGRIUJOJ-FQSKDFRHSA-N	309.475	3.431	10	20	DGCD	
CCOc1cccc(CN2CCc3c(F)cccc3C2)c1O	123798922	GHOOEEXFTSDSFM-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
COCCCCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	122784327	POMXZDPWMPRWBD-HNNXBMFYSA-N	324.440	3.130	10	20	DGCD	
CSCCCN1C(=O)/C(=C/c2ccc(C)cn2)SC1=S	122975527	GHAOHGLVTNKKJS-WQLSENKSSA-N	324.496	3.344	10	20	DGCD	
CCOCCC1(C(=O)NCc2ccc(N(C)C)cc2C)CCC1	121436472	YKKOBBGGLUBXFD-UHFFFAOYSA-N	318.461	3.274	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccncc1Cl	181131453	YQSNGJCPPWKDRE-UHFFFAOYSA-N	303.793	3.200	10	20	DGCD	
COc1cccc(CNC(=O)C(C)(C)c2cccc(F)c2)c1O	131288416	QTTMTTIYQUVXRX-UHFFFAOYSA-N	317.360	3.134	10	20	DGCD	
Cc1ccc([C@H](C)NC2CCN(C(=O)C(C)(C)C)CC2)c(O)c1	320153768	JVIAYRHARFFHIF-AWEZNQCLSA-N	318.461	3.388	10	20	DGCD	
COc1cccc(CNC(=O)C(C)(C)c2ccc(C)cc2)c1O	131285482	NGXCICZOXYMCKG-UHFFFAOYSA-N	313.397	3.303	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc(C)c(Cl)c2)ccc1O	136488601	MXAFSMXGOISMMM-UHFFFAOYSA-N	311.790	3.463	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2cccc(OCC(N)=O)c2)c(O)c1C	273475290	KMUGMZVUVPMXSZ-CYBMUJFWSA-N	314.385	3.046	10	20	DGCD	
CCCN(CCCN(C)C)Cc1c(O)ccc(Cl)c1F	809756275	NDFIZRYMIQIZQV-UHFFFAOYSA-N	302.821	3.348	10	20	DGCD	
CN(C)[C@H](CN[C@@H]1CCc2cccc(O)c21)c1ccsc1	295912029	JFZFPAGGKSMWDZ-HUUCEWRRSA-N	302.443	3.334	10	20	DGCD	
CCCC[C@@H](CN)N[C@H](C)c1ccc(Br)cc1O	817963203	SFQIRPQCWJIUTB-PWSUYJOCSA-N	315.255	3.323	10	20	DGCD	
O=C(CCCC1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1	812504531	ZMKCHPYZNFMUDE-QGZVFWFLSA-N	317.429	3.480	10	20	DGCD	
C[C@H](NC[C@H](C)CN)c1cc(Br)cc(Cl)c1O	817962468	MSWBHAPUFQCJHW-SFYZADRCSA-N	321.646	3.054	10	20	DGCD	
CCC(=CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)CC	819584639	NVFMZCRDMIHWIH-INIZCTEOSA-N	316.445	3.384	10	20	DGCD	
CCCN1C[C@H](CN[C@H](C)c2ccc(N(C)CC)cc2)CC1=O	817588454	FTCFHXWGJRISDB-CVEARBPZSA-N	317.477	3.052	10	20	DGCD	
CCc1cc(=NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc[nH]1	819934578	LBCBEUWZYPVDJE-OAHLLOKOSA-N	311.429	3.013	10	20	DGCD	
CN(C)c1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1F	814178221	HUURNVMDUGRNTM-MRXNPFEDSA-N	306.425	3.140	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC(C)(C)OC1=O	814180023	MGIITYYXQDDLCH-KRWDZBQOSA-N	316.445	3.203	10	20	DGCD	
CN(C)c1ccc(OCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1	810002003	PUKJQOFNVNJKOW-QAPCUYQASA-N	316.445	3.313	10	20	DGCD	
Cn1ccnc1[C@@H]1CCN(Cc2ccc3ccccc3c2O)C1	816611783	XEBQOXYAKVKMGH-MRXNPFEDSA-N	307.397	3.268	10	20	DGCD	
CCOc1cccc(CN2CC[C@@H](Oc3ccccc3)C2)c1O	827640010	QDWJGYHDIJPRNP-QGZVFWFLSA-N	313.397	3.444	10	20	DGCD	
Cc1cc(Cn2cc([N+](=O)[O-])cn2)ccc1N1CCCCC1	829006094	LWXZQZHMUIDXQF-UHFFFAOYSA-N	300.362	3.138	10	20	DGCD	
O=C(CCCC(=O)C1CC1)NCc1ccc(N2CCCC2)cc1	822495864	QVUKEIOAERMUOC-UHFFFAOYSA-N	314.429	3.052	10	20	DGCD	
CCN(C(=O)CN[C@H](C)c1c(O)cccc1F)c1ccccc1	903194561	FFPNTNIROSKJIS-CYBMUJFWSA-N	316.376	3.235	10	20	DGCD	
C[C@@]1(CCNCc2cc([N+](=O)[O-])ccc2O)CC1(Cl)Cl	824971035	NUOVUPIOWKBDAH-GFCCVEGCSA-N	319.188	3.364	10	20	DGCD	
CCC1(CN[C@H](C)c2cccc(C(F)(F)F)c2O)COC1	834901225	YUUOKMAFQOLNOA-SNVBAGLBSA-N	303.324	3.488	10	20	DGCD	
CN(C)C(=O)C[C@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1	834530074	AUOVEOBHADBAIN-IRXDYDNUSA-N	324.424	3.189	10	20	DGCD	
O=C(O)CC1(NCc2ccc(N3CCCCC3)cc2)CCC1	901706727	JJZFUEKJIVVYFG-UHFFFAOYSA-N	302.418	3.164	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1	739625566	QEPSCEDWNRKQTA-RCQQVGEISA-N	316.357	3.462	10	20	DGCD	
CC[C@H](N)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	843483433	CSTVSIPDWZCKAJ-PBHICJAKSA-N	312.413	3.219	10	20	DGCD	
COc1cccc([C@@H](C)NCc2csc([C@@H](C)OC)n2)c1O	846148824	HWLXGEDIUQTXDC-GHMZBOCLSA-N	322.430	3.416	10	20	DGCD	
C[C@@]1(F)CCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	844219820	XAAJXPTZOKKESI-CSPWOOARSA-N	308.309	3.021	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cccc(Cl)c2F)cc1	841044901	ZSDAYVCXPPWVTB-MRXNPFEDSA-N	321.827	3.335	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@H]([C@H]2CCNC2)C1	843124629	DQDSIGPUJYVFNU-RYUDHWBXSA-N	312.816	3.006	10	20	DGCD	
COc1cccc(C2(CNC(=O)Nc3ccc(N)cc3)CC2)c1	841298356	AUGGDDPOGWQYLF-UHFFFAOYSA-N	311.385	3.131	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCCNC1	843059924	USRHHCHMNYRGSA-SFHVURJKSA-N	301.478	3.108	10	20	DGCD	
C[C@H](NCCCN1CCCCC1=O)c1ccc(Cl)cc1O	841763961	OPIMBRVHHTZHKJ-LBPRGKRZSA-N	310.825	3.099	10	20	DGCD	
CC[C@H](NCc1nccc(C(F)(F)F)n1)c1ccccc1O	840870073	UTNGNKANMLEAFL-NSHDSACASA-N	311.307	3.442	10	20	DGCD	
CC[C@H](NCC(C)(C)C1(O)CCOCC1)c1ccccc1O	841763740	QMQBTLRABMVKTA-HNNXBMFYSA-N	307.434	3.001	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C(C)(C)C2CC2)cc1	844857076	PMJBLVVJMUXPGI-UHFFFAOYSA-N	304.434	3.026	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]3CCCC[C@@H]32)c1O	843416051	OQTWFYCRFFSGON-AAEUAGOBSA-N	306.362	3.074	10	20	DGCD	
COc1ccc(N(C)Cc2cc(F)cc3c2OCOC3)cc1	844353097	GMAKCYIWUQDBGH-UHFFFAOYSA-N	303.333	3.337	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(C)cc1O	850503751	YTEHHWVWKVJTIB-YOEYTUCGSA-N	309.475	3.431	10	20	DGCD	
CCOCCOCCNCc1cc(-c2ccccc2)ccc1O	922940154	APDGKBHFFKNEAQ-UHFFFAOYSA-N	315.413	3.202	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1nonc1C	926597136	USVWFJIKKTWJNR-QWHCGFSZSA-N	302.422	3.034	10	20	DGCD	
COc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1C	850579103	RUJUOKDWKFJQOI-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
COc1cc(CNC[C@@](C)(O)C(C)C)c(O)c(C(C)(C)C)c1	850133722	KFFDYVVHPBVNMW-GOSISDBHSA-N	309.450	3.195	10	20	DGCD	
CC(C)C1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	753569709	RURBJGZZIGEZPT-UHFFFAOYSA-N	301.434	3.084	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	756415882	LTNUOLDRJOCPGU-GXTWGEPZSA-N	322.424	3.318	10	20	DGCD	
C/C=C(\C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	761980983	LTFLWNMWOCKMSX-COHQTCMYSA-N	322.836	3.092	10	20	DGCD	
CC[C@H]1CN(Cc2cc(C)c(C)cc2O)[C@H](CC)CN1C(C)=O	769499187	YJOVVNAERUKSDY-MSOLQXFVSA-N	318.461	3.230	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3ccc(C)nc3)CC2)cc1	1118304515	LBUZNUUHTZMNJL-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
Cc1cccc(O)c1CN1CC[C@H](CNC(=O)OC(C)(C)C)C1	876652451	CUIJUKHCCCGFJX-CQSZACIVSA-N	320.433	3.047	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1	773018140	HNULCXCZCAMJOR-LBPRGKRZSA-N	318.367	3.451	10	20	DGCD	
CCCc1ccc(C(=O)COC(=O)c2cccc(O)c2O)cc1	776283090	HLYMDDIQWHENTF-UHFFFAOYSA-N	314.337	3.090	10	20	DGCD	
Cc1cccc(O)c1CN(C)C[C@H](C)NC(=O)OC(C)(C)C	877660044	HKUKVAVNHKXEOO-ZDUSSCGKSA-N	308.422	3.046	10	20	DGCD	
COC(=O)[C@@H](NCc1cc(C)c(C)cc1O)c1ccccc1F	779178304	NCOHKXRZUREPKZ-KRWDZBQOSA-N	317.360	3.152	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(N2CCCC2)c1	779479654	MGSPOZPQUXDLLI-VQHVLOKHSA-N	324.380	3.350	10	20	DGCD	
CC[C@H](N[C@@H]1COc2cc(OC)ccc2C1)c1ccccc1O	775525840	ODVWRKWAOUPCAZ-YOEHRIQHSA-N	313.397	3.445	10	20	DGCD	
COC(=O)[C@@H](NCc1cc(Cl)ccc1O)c1ccccc1F	779179703	XOEGSILZEPOKFU-HNNXBMFYSA-N	323.751	3.189	10	20	DGCD	
Cc1cccc(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)c1O	775651119	ZOMHCGJNVRCSDH-UHFFFAOYSA-N	324.424	3.225	10	20	DGCD	
C[C@H](NC(=O)c1cnc2ccccc2n1)c1ccc(N(C)C)cc1	773017407	GLFCJKDLFZKCCC-ZDUSSCGKSA-N	320.396	3.187	10	20	DGCD	
Cc1ccc(CN(CCO)Cc2ccc(N(C)C)c(F)c2)cc1	783602769	LVOQTPWYWVUAQQ-UHFFFAOYSA-N	316.420	3.195	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cn(C)nc1C1CC1	891437239	UOXQRWNJXIYUHF-UHFFFAOYSA-N	312.461	3.386	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCOC(C)(C)C	796502492	TZNXNTUHXGGUMV-UHFFFAOYSA-N	306.450	3.273	10	20	DGCD	
COC1(CN(Cc2ccccc2O)C[C@H]2CCCO2)CCCC1	792156763	MHFWFXAEOFMRBS-QGZVFWFLSA-N	319.445	3.332	10	20	DGCD	
CCC[C@@]1(CO)CCCN1Cc1ccc(N2CCCC2)cc1	1321025496	PNOIHCJSCDIZHZ-IBGZPJMESA-N	302.462	3.414	10	20	DGCD	
Cc1ccc([C@H](NCc2cc(F)ccc2O)C(=O)O)cc1C	1610495661	RMUMPVPGDIAMEE-INIZCTEOSA-N	303.333	3.064	10	20	DGCD	
CN(C(=O)c1cncnc1-c1ccccc1)c1ccc(N)cc1	1578392496	CCOVSQKPBGXIAY-UHFFFAOYSA-N	304.353	3.002	10	20	DGCD	
CCc1ccccc1[C@H](N)CNCc1c(O)cccc1Cl	1578275384	KSDADQDLYYZCDM-MRXNPFEDSA-N	304.821	3.398	10	20	DGCD	
Nc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1	238005849	ZBDIVGBZOBHBTG-INIZCTEOSA-N	309.413	3.120	10	20	DGCD	
CSCCN[C@H](C)c1cc(Br)cc(C)c1O	309837034	BOMLBHMVBIZSCP-SECBINFHSA-N	304.253	3.477	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CC[C@H](C)O1	175866894	KIDLWXXCYUKGCD-GOEBONIOSA-N	305.418	3.479	10	20	DGCD	
COc1ccc(N2CCC(Nc3ncncc3Cl)CC2)cc1	302516165	ALGVGDLNIRIGHB-UHFFFAOYSA-N	318.808	3.220	10	20	DGCD	
Cc1ccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)c(O)c1O	182892817	GLMMDHNEXBGGAX-UHFFFAOYSA-N	314.385	3.341	10	20	DGCD	
Oc1c(Br)cccc1CNCCCOCC1CC1	42411831	ICPZVHABPCOMGX-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CCN1C	316426122	BETZFULSCWCIOO-WMZOPIPTSA-N	301.478	3.249	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1ccc2c(c1)CCCC2	181626114	KNNJDWQDGCDHME-UHFFFAOYSA-N	321.373	3.211	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccccc2O)CCN1C(=O)OC(C)(C)C	219453192	VGUDSNVLLNDVRW-UKRRQHHQSA-N	320.433	3.270	10	20	DGCD	
O=[N+]([O-])c1ccc(CCNCc2cc(Cl)ccc2O)cc1	40675889	PGTTZJQZDZKKKC-UHFFFAOYSA-N	306.749	3.286	10	20	DGCD	
COC[C@H]1CCCN(Cc2cccc(Br)c2O)C1	93337822	VIHSOTJCGBHHMO-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
CCn1nc(C)c(C(=O)NCc2c(C)c3ccccc3n2C)c1C	348697216	HJDUWNSNIQHGOT-UHFFFAOYSA-N	324.428	3.250	10	20	DGCD	
COc1cc(Cl)c(/C=C2\SC(=S)NC2=O)cc1Cl	255527744	SVGQCJKUJZRYCN-OQFOIZHKSA-N	320.222	3.491	10	20	DGCD	
Cc1ccccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1	264751089	OJOAPSAWXFSHNU-DHZHZOJOSA-N	322.408	3.484	10	20	DGCD	
Cc1ccc(N(C)C(=O)c2c(-c3cccnc3)noc2C)nc1	367373217	WWUVXDCMDQMNCH-UHFFFAOYSA-N	308.341	3.025	10	20	DGCD	
Cc1c(CNC(=O)[C@H]2COc3ccccc32)n(C)c2ccccc12	548756816	DTGBRNLXFIADNW-INIZCTEOSA-N	320.392	3.279	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCOC[C@@H]2C)c(C)n1-c1ccccc1	278783506	YLLXNQFVVDBSAW-SCLBCKFNSA-N	312.413	3.249	10	20	DGCD	
CC[C@H](NC[C@@H](O)c1ccc(OC)cc1)c1ccc(C)cc1O	280048448	JKUUSQJABUWPSY-PKOBYXMFSA-N	315.413	3.484	10	20	DGCD	
CCn1c(C)nnc1N(C)Cc1ccc(N2CCCCC2)cc1	284164116	XHVCWLOQTRCNAC-UHFFFAOYSA-N	313.449	3.233	10	20	DGCD	
C[C@@H](NCC1([S@@](C)=O)CCC1)c1ccc2ccccc2c1O	280884228	BAYHGTWHYJYDGC-MCMMXHMISA-N	317.454	3.497	10	20	DGCD	
COc1cccc(CNCCc2ccc(SC)cc2)c1O	280644153	NMSLBKYAATWQMH-UHFFFAOYSA-N	303.427	3.455	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccc(OC)n1	801549753	YUTXZBBEGHKKBS-UHFFFAOYSA-N	314.385	3.238	10	20	DGCD	
Cc1cccc(CN2C[C@@H](C)C(=O)N(C)c3ccccc32)c1O	809786288	WSJBAYYFTAGJFH-CQSZACIVSA-N	310.397	3.320	10	20	DGCD	
CC[C@@H](NC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(N(C)C)cc1	296118639	ZZISIFJCXOFLKG-ZCTYVAAUSA-N	301.478	3.419	10	20	DGCD	
CCN(C)c1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1	815121220	SSAYZIDPBZKWAE-SFHVURJKSA-N	302.462	3.391	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](n3cc(C)cn3)C2)cc1	811520060	JBQUVJMGJYASRL-IBGZPJMESA-N	312.461	3.485	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCNC1)c1ccc(N2CCCCC2)cc1	817946474	XYSLWWIVSZKJLV-IAGOWNOFSA-N	301.478	3.327	10	20	DGCD	
Cn1ncc(C2CC2)c1CNCc1cc(Cl)c(F)cc1O	827250794	AQRZIBICCRAUJS-UHFFFAOYSA-N	309.772	3.085	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(CCCN[C@@H]2CCc3cccc(O)c32)C1	834514389	VNTAHDLHLWMFMZ-BFYDXBDKSA-N	302.462	3.337	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1cccc(Cn3ccnc3)c1)CC2	834507709	CNKCXWSMMFXVIL-GOSISDBHSA-N	319.408	3.414	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2cccnc12	588403809	RIIKAQUKEGEFQK-CLFYSBASSA-N	306.321	3.298	10	20	DGCD	
COc1cccc(CNC(=O)Nc2c(C)cc(C)nc2C)c1O	836627774	ACNWSWHNVYMTOO-UHFFFAOYSA-N	315.373	3.043	10	20	DGCD	
O=C(Nc1ccc(N2CCCCC2)cn1)c1cc(O)cs1	732270864	VYFOEZCACMZNOL-UHFFFAOYSA-N	303.387	3.091	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1oc(C)nc1C)CCC2	839656743	RWVZUFHOFHPTGW-UHFFFAOYSA-N	302.374	3.261	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](C(C)(C)C(=O)O)C2)cc1C	833746933	LYTCXRJNHVNRJQ-OAHLLOKOSA-N	305.418	3.332	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](SC)C2)cc1	837723929	AUAQYBVZLHBBIH-INIZCTEOSA-N	321.490	3.180	10	20	DGCD	
Cc1occc1CNC(=O)NCc1c(O)ccc2c1CCCC2	743555989	FMIYBEYHAKJXAW-UHFFFAOYSA-N	314.385	3.172	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cnc[nH]3)c2C)c1	742179055	RMYATIUBKOTVHH-UHFFFAOYSA-N	308.385	3.056	10	20	DGCD	
CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(N)cc1	841301270	HUUOJDKXGRQUQQ-MRXNPFEDSA-N	311.385	3.477	10	20	DGCD	
Cc1ccc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1C	840148743	VKOPPWDKJRQYBV-SFHVURJKSA-N	313.397	3.067	10	20	DGCD	
CCCCc1noc([C@H](C)N2CCCc3cc(CN)ccc32)n1	843350620	QOJRMVBVCDZWAV-ZDUSSCGKSA-N	314.433	3.385	10	20	DGCD	
CC[C@@H]1C[C@H](CC(=O)NCc2cc(Cl)ccc2O)CCO1	846473055	IBBCKTJQPNIDFW-BXUZGUMPSA-N	311.809	3.257	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1	743638757	UIBQGXBLCPMCRT-IEBWSBKVSA-N	323.440	3.183	10	20	DGCD	
CO[C@@H]1COC[C@@H]1N[C@@H](C)c1ccc(N2CCCCCC2)cc1	840824466	NDDUKHJIOKNXHU-ZYSHUDEJSA-N	318.461	3.131	10	20	DGCD	
C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)[C@H]1CCN	844902099	NKKKRONGSYQLHW-HZMBPMFUSA-N	300.805	3.134	10	20	DGCD	
CCOc1ccc(CN(C)c2ccc(OC)cc2OC)nc1	752110450	IZKFXCZZOAIVNV-UHFFFAOYSA-N	302.374	3.134	10	20	DGCD	
CCN(CC)c1ccc(CNCc2nc(C)c(C)[nH]2)cc1F	850129817	XXJGBCYCPMRMCP-UHFFFAOYSA-N	304.413	3.302	10	20	DGCD	
CCN(C[C@@H](O)c1ccccc1F)c1ccc(OC)c(OC)c1	921061267	ANLHWHSOOLDJIL-MRXNPFEDSA-N	319.376	3.403	10	20	DGCD	
CC[C@H](O)CCCN[C@H](C)c1cc(Br)ccc1O	756738795	LFZQOLLFSOBVSF-PWSUYJOCSA-N	316.239	3.356	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H]2c2cc(C)on2)c1O	754722855	FLPKHAWICBUEBN-HNNXBMFYSA-N	302.374	3.343	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2c3ccccc3O[C@@H]2C)c1	858460932	FHVUNFYQWUBARX-SJKOYZFVSA-N	312.369	3.022	10	20	DGCD	
Cc1cc(O)c(CN[C@H](c2cnn(C)c2)C(F)(F)F)cc1C	858164015	NRWQKDFDASMLDA-CQSZACIVSA-N	313.323	3.136	10	20	DGCD	
C[C@@H](N[C@@H]1COc2cc(F)ccc2C1)c1ccc(F)cc1O	850537480	QSWGTAZXLZJTME-YGRLFVJLSA-N	305.324	3.325	10	20	DGCD	
CN(C)c1ccc(CNc2cc(C(N)=O)ccc2Cl)cc1F	863995924	HLTUSJJDXYREQC-UHFFFAOYSA-N	321.783	3.256	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1cc3c(nc1O)CCCC3)CC2	866642106	CGTSLZMWJRUYNT-MRXNPFEDSA-N	310.397	3.149	10	20	DGCD	
C[C@H](O)CN(Cc1ccccc1)Cc1ccc(N(C)C)c(F)c1	768892825	MKKSHSFEYQEZKF-HNNXBMFYSA-N	316.420	3.275	10	20	DGCD	
Oc1cc2c(cc1CN1CCC3(CCCCC3)CC1)[C@@H](O)CO2	768446603	ZDGXWUWDKDFFLR-KRWDZBQOSA-N	317.429	3.364	10	20	DGCD	
COc1cccc(O)c1CN1CCO[C@H](c2cccc(F)c2)C1	769306818	CTPCZRDZFBLTLL-SFHVURJKSA-N	317.360	3.113	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H](O)c1c(F)cccc1Cl	877058110	VFNQSPDDABYIFP-HNNXBMFYSA-N	309.768	3.316	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@@H](OCC(F)(F)F)C1	876611876	UNTNWULDGYSRCK-GFCCVEGCSA-N	303.324	3.244	10	20	DGCD	
COC(C)(C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773327263	WULWCHVFOSQRSH-KGLIPLIRSA-N	321.465	3.316	10	20	DGCD	
COC(=O)CC[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	877819965	BUMSSHICAIZYNI-GFCCVEGCSA-N	311.809	3.211	10	20	DGCD	
CCN(C(=O)/C=C\c1cnc(OC)nc1)c1cccc(C)c1C	775817605	GPCAPJHAQALWQR-KTKRTIGZSA-N	311.385	3.168	10	20	DGCD	
C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1	773991382	ALUJYXJMPRELQC-LBPRGKRZSA-N	313.357	3.152	10	20	DGCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC=CCC2)c1O	778577816	YIIQHXOFILOKKP-UHFFFAOYSA-N	309.365	3.091	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1cscn1)c1ccc(N(C)C)cc1	773622791	IAENCWZQTRKYCF-LBPRGKRZSA-N	318.446	3.112	10	20	DGCD	
O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(O)c(O)c1	778919097	TUQCUVJYUKKBFC-UHFFFAOYSA-N	315.413	3.321	10	20	DGCD	
C[C@H](N[C@H](CO)c1c(F)cccc1F)c1c(O)cccc1F	886547886	SZDWDYZZULCIBA-TVQRCGJNSA-N	311.303	3.194	10	20	DGCD	
COc1cccc(CN(C)C(C)(C)CN2CCCCCC2)c1O	779192455	PYKFCLLAZAHKPX-UHFFFAOYSA-N	320.477	3.487	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)N[C@@H](C)C(C)(C)O)c1O	779041649	WRWPPQMPAGQTME-ZJUUUORDSA-N	316.239	3.273	10	20	DGCD	
COCCOc1ccccc1CN[C@@H](C)c1ccccc1O	783503456	DRTFGQIOHUSEOP-AWEZNQCLSA-N	301.386	3.268	10	20	DGCD	
CC(C)N(CCOCC(F)F)Cc1ccc(N(C)C)cc1	787184783	UXLNSDTWHBJWRF-UHFFFAOYSA-N	300.393	3.245	10	20	DGCD	
CCN(CC)c1ccc(CN2CCc3ncncc3C2)cc1F	895722026	BPVHMPCAERRNIK-UHFFFAOYSA-N	314.408	3.020	10	20	DGCD	
COc1cc(O)c(CN[C@@H](CC(F)(F)F)C(C)C)cc1OC	783740676	KNTPLFSTHOHVTL-NSHDSACASA-N	321.339	3.476	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCC[C@@H]1C	798416748	PTJUFQWUQSJKSH-ZFWWWQNUSA-N	303.450	3.296	10	20	DGCD	
CSCC(C)(C)NCc1c(O)cccc1Br	898305309	XRBABDOOSOAUME-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
C[C@H]1CC[C@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1	1321101277	QRFLBRLSGNFSFO-HOTGVXAUSA-N	319.468	3.103	10	20	DGCD	
C[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCC1	1263273454	CWFABFKQXSZEBK-NSHDSACASA-N	315.442	3.235	10	20	DGCD	
CC[C@@H](CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C(C)(C)C	1577041434	LPVIEINLBMBYLK-RDJZCZTQSA-N	319.493	3.331	10	20	DGCD	
Nc1ccc(F)c(NC(=O)NCc2cccc(Cl)c2O)c1	1580447544	DQQJBWKVNGDXDJ-UHFFFAOYSA-N	309.728	3.089	10	20	DGCD	
CCC[C@H](C)C[C@H](NCc1ccc2c(c1)CCN2CC)C(=O)O	1776752158	BIFULVPSZBAEDX-YOEHRIQHSA-N	318.461	3.438	10	20	DGCD	
Cc1cc(O)c(CN2CCCN(CC(F)(F)F)CC2)cc1C	151783909	NQHWHHLQLIYUIO-UHFFFAOYSA-N	316.367	3.079	10	20	DGCD	
CCC1(NCc2cccc(Br)c2O)CCOCC1	389426849	RVYHYANWDOZIIB-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
O=C(CSc1nccs1)Nc1ccc(N2CCCC2)cc1	54924152	PUGXYNSXLCONJK-UHFFFAOYSA-N	319.455	3.474	10	20	DGCD	
CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1	180624415	ORZFOKDRAUJNBH-ONNFQVAWSA-N	301.317	3.303	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(F)cc1	78953494	DUSSMAYLKCIKEJ-UHFFFAOYSA-N	314.404	3.483	10	20	DGCD	
CC(C)C[C@H]1OCCC[C@H]1NC(=O)N(C)Cc1ccccc1O	186215801	MPYSSXTYQZQBIS-NVXWUHKLSA-N	320.433	3.127	10	20	DGCD	
CC[C@@H](NC[C@H]1CCOC1)c1cc(Br)ccc1O	37738210	GNGSDYJBOOZQMV-ZWNOBZJWSA-N	314.223	3.232	10	20	DGCD	
CCN(Cc1ccccc1O)[C@H]1CCN(Cc2ccccc2)C1	184801024	VBSIZDFXYCEKEV-IBGZPJMESA-N	310.441	3.489	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@H](C)c2ccccc2O)cc1	183569016	SRWVAQSFTSHIFW-CXAGYDPISA-N	301.386	3.175	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CCCC4(CC4)C3)ccc21	185292662	BYAPLGDENCWNKU-UHFFFAOYSA-N	313.445	3.155	10	20	DGCD	
CN1CCc2cc([C@H]3NC(=O)c4cc(Cl)ccc4N3)ccc21	130268312	XQVZUULUEKTBFT-MRXNPFEDSA-N	313.788	3.186	10	20	DGCD	
Cc1ccc(F)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	190917668	LIGXZSCKQAXZAL-NSHDSACASA-N	318.348	3.298	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)[C@H]1CCCc2c1cnn2C	93863972	GZTPESCRXRKYMU-AWEZNQCLSA-N	305.809	3.289	10	20	DGCD	
C[C@H](N[C@H](C)c1ncnn1C)c1cc(Cl)c(Cl)cc1O	278387448	DKYPTLCKWUYJIG-JGVFFNPUSA-N	315.204	3.239	10	20	DGCD	
COC[C@@H](CN[C@@H](C)c1ccc(N2CCCCCC2)cc1)OC	272699692	RTMVZLNDPAEKRP-QFBILLFUSA-N	320.477	3.379	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCc3c[nH]nc3C2)cc1F	371140826	UCPZGYHPTVOWTQ-OAHLLOKOSA-N	316.424	3.042	10	20	DGCD	
CCC(C)(C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	377511258	MDJNGHHRWVGDMH-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCCN(C(C)=O)C1)c1ccc(N(C)C)cc1	280838531	AJGRLDYCHIVZMJ-QFBILLFUSA-N	317.477	3.052	10	20	DGCD	
CN(C)CCN(Cc1ccc(F)cc1)Cc1cc(F)ccc1O	809736288	NBVZMSGRFZSRKI-UHFFFAOYSA-N	320.383	3.234	10	20	DGCD	
OC[C@@]1(CNCc2cccc(Cl)c2O)C[C@@H]1c1ccccc1	291692080	YFFMVJNLVLWSHH-QAPCUYQASA-N	317.816	3.301	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1cn(C)nc1CC	802657804	UAECFCSEQSHXRN-UHFFFAOYSA-N	301.434	3.490	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cn1	817942624	QBMQQAVLEGNQBM-LRDDRELGSA-N	318.852	3.152	10	20	DGCD	
C[C@@H](NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1cc(F)cc(F)c1O	813874357	AEDKTZBITIOWBN-QLQJRFMMSA-N	311.372	3.262	10	20	DGCD	
Cc1cccc2c1OC[C@H](N[C@H](C)c1cc(F)ccc1O)C2	810259811	TVXISLYSXACOHX-IUODEOHRSA-N	301.361	3.494	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](O)CNCc1ccc(N(C)C)c(F)c1	818985242	PJQOQDMGXRUWHZ-KUHUBIRLSA-N	316.420	3.146	10	20	DGCD	
CN1CCCc2cc(CNC(=O)/C=C\c3ccc(O)cc3)ccc21	588416162	JMZLLXMCUNYAFN-XFFZJAGNSA-N	322.408	3.104	10	20	DGCD	
Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(O)cs2)c1	731909670	INJHOJUNUVLKJV-NSHDSACASA-N	319.382	3.255	10	20	DGCD	
C[C@@H](CNC(=O)c1cc(O)cs1)COCc1ccccc1	732276298	PYSDNKSPQFEPGV-LBPRGKRZSA-N	305.399	3.036	10	20	DGCD	
Cc1oc(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C	670800077	HOYCARMGPUIOEG-UHFFFAOYSA-N	314.385	3.310	10	20	DGCD	
Cc1cc(Br)c(O)c(CN2CC(C(F)F)C2)c1	839141503	RAXXMTJNXAAHBF-UHFFFAOYSA-N	306.150	3.160	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	910950300	VXRATIOQOROMNZ-MGPQQGTHSA-N	303.402	3.321	10	20	DGCD	
COc1ccc(N(CC(C)C)C(=O)/C=C\c2cnn(C)c2)cc1	914528523	BGKCFYHGFLFHJF-YHYXMXQVSA-N	313.401	3.131	10	20	DGCD	
C[C@H](NC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C)c1ccc(N(C)C)cc1	841581956	LUBOWNMUEAOWDO-LJISPDSOSA-N	303.450	3.500	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](C(C)C)N2CCCC2)c1O	846138621	LSQXLWMMBXQIPX-GDBMZVCRSA-N	306.450	3.172	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CCC(C)(C)C)C(=O)O)cc1F	840998615	KOGIQCQRBLXRNJ-CQSZACIVSA-N	310.413	3.261	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)c1cc2n(n1)CCC2	840713216	LGHGOSHSZSHFRI-HNNXBMFYSA-N	310.445	3.280	10	20	DGCD	
COc1ccccc1OCCN[C@@H](C)c1cccc(OC)c1O	846139015	ZMWZUFLZZYJMMO-ZDUSSCGKSA-N	317.385	3.139	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccnc(OC(F)F)c2)c1O	846167920	ODRVQJLCEMUBKZ-JTQLQIEISA-N	324.327	3.248	10	20	DGCD	
COc1cccc(C[C@H](C)CC(=O)NCc2ccc(N)cc2)c1	927767219	BUXMJWNDOYROGL-AWEZNQCLSA-N	312.413	3.163	10	20	DGCD	
Cc1cc(C(=O)CN(C)CC(F)F)c(C)n1-c1ccccc1	754667639	DSZXISADLKONOB-UHFFFAOYSA-N	306.356	3.474	10	20	DGCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ncco1	924705370	BAVKHKXZGAJFNU-ZDUSSCGKSA-N	303.431	3.079	10	20	DGCD	
c1cc2c(cc1CN[C@H]1CCO[C@@]3(CCSC3)C1)CCCO2	921862093	MLKFQJUHSDDFBM-WMZOPIPTSA-N	319.470	3.156	10	20	DGCD	
COC(=O)[C@@]1(C)CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1	759753089	CPVWUFHYESNDOZ-IBGZPJMESA-N	319.445	3.383	10	20	DGCD	
C[C@H](NC[C@H](C)N1CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1O	756413097	XPEOPVFXNUCGNP-RDBSUJKOSA-N	321.421	3.071	10	20	DGCD	
C[C@@H](N[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1O	756770563	WBYOGRWHQFVEQA-VXNVDRBHSA-N	320.614	3.248	10	20	DGCD	
CC(C)c1nc([C@@H](C)N[C@@H](C)c2cc(F)cc(F)c2O)n[nH]1	756777649	KFFGFZZOLVJOFM-DTWKUNHWSA-N	310.348	3.324	10	20	DGCD	
CCOC[C@H](O)CNc1ccc(Nc2cccc(OC)c2)cc1	863571353	WPIRHFZNZRKWHD-QGZVFWFLSA-N	316.401	3.248	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H](C)[C@@H](O)C(F)(F)F)cc1	866465209	PQIQMOAMOVPCGM-MISXGVKJSA-N	304.356	3.105	10	20	DGCD	
CCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccc(OC)c(C)c1	1036477208	LAZFIZAFCCYHNO-WMLDXEAASA-N	318.461	3.130	10	20	DGCD	
C[C@H](NCCc1ccn(C)n1)c1ccc(N2CCCCC2)cc1	760895844	DTGUSLUEKRAXBG-INIZCTEOSA-N	312.461	3.304	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(=O)O)cs2)cc1OC	872157887	VPKXGPGJLMGTLT-UHFFFAOYSA-N	307.371	3.100	10	20	DGCD	
CCOC(=O)CC[C@@H]1CCCN(Cc2c(C)cccc2O)C1	876815125	VAEQPPDYVPWALR-HNNXBMFYSA-N	305.418	3.256	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CC23CCCCC3)cc1F	770804442	JZPALPPCBVKUJG-INIZCTEOSA-N	319.424	3.414	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@@H]2C2CCCCC2)c1O	775049121	SNWNIHATRXKQIL-ZIAGYGMSSA-N	320.389	3.367	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2C2CCOCC2)cc1F	777440104	UDRXBCZUSRXMRO-QGZVFWFLSA-N	306.425	3.283	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC(c2cn[nH]c2)CC1	775663630	PXHYYVUMQOQZHS-UHFFFAOYSA-N	309.772	3.287	10	20	DGCD	
CC(/C=C1\SC(=S)NC1=O)=C\c1cccc([N+](=O)[O-])c1	787166550	ATXFFAWOTQUQJJ-CZDIAPPSSA-N	306.368	3.030	10	20	DGCD	
CCOc1ccc(CN(C)Cc2cnc(C(C)C)nc2)c(O)c1	799737051	SYKGJQSPIDBMHV-UHFFFAOYSA-N	315.417	3.336	10	20	DGCD	
CN1CCCc2cc(CNC(=O)[C@@H]3Cc4ccc(F)cc43)ccc21	793283000	DUCKDHOQBXBCEA-GOSISDBHSA-N	324.399	3.164	10	20	DGCD	
CCc1ccc([C@H](O)CNCc2c(O)cccc2Cl)cc1	796450018	JEFLJFQIDGFXBV-QGZVFWFLSA-N	305.805	3.431	10	20	DGCD	
CC[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N)cc1	1346739106	NIZMQNSZOIGNKS-GOSISDBHSA-N	309.413	3.315	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C	1342569381	MEELZKOCGUVNCA-DCAQKATOSA-N	306.435	3.213	10	20	DGCD	
CC[C@@H]1C[C@H](CC(=O)Nc2c(Cl)ccc3nonc23)CCO1	1346941738	YAWVNLYWUKKEQD-NXEZZACHSA-N	323.780	3.410	10	20	DGCD	
CN1CCCc2cc(CNC(=O)C3(C(C)(F)F)CC3)ccc21	1347384169	ASRDFTXXRXVJOV-UHFFFAOYSA-N	308.372	3.121	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccccc2CC(=O)O)c(O)c1C	1600374555	ZYYYRZVJUCVYKL-CQSZACIVSA-N	313.397	3.487	10	20	DGCD	
C[C@@H](N[C@H](C)c1c(O)cccc1F)c1ncc(C(=O)O)s1	1593194869	AIVNDPZWMLTJSR-HTQZYQBOSA-N	310.350	3.098	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(C(=O)O)c(F)c2)cc1F	1598320726	PDOXTNDQXPWBTQ-UHFFFAOYSA-N	306.312	3.341	10	20	DGCD	
CCC[C@@H](C)C[C@@H](NCc1ccc2c(c1)CCN2CC)C(=O)O	1776752154	BIFULVPSZBAEDX-RHSMWYFYSA-N	318.461	3.438	10	20	DGCD	
Cc1cccc(CNC[C@](C)(O)c2ccccc2Cl)c1O	155070853	IMCMJIVGRPOARP-KRWDZBQOSA-N	305.805	3.351	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1C)c1ccc(N2CCCCC2)cc1	154507232	UEEFAXXTFZTOBU-VQIMIIECSA-N	301.478	3.422	10	20	DGCD	
CCc1cccc(CNCc2ccc(Br)cn2)c1O	877734088	IGKABTYCYUYFTG-UHFFFAOYSA-N	321.218	3.402	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](O)c2ccc(Cl)cc2)cc1F	113317268	SHKVOGQUEBATJJ-KRWDZBQOSA-N	322.811	3.368	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)CC(C)(C)C)C2)cc1	62575110	OIMBXBCJYZDOQS-AWEZNQCLSA-N	304.434	3.074	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ncoc2-c2ccccc2)cc1	112001849	WLKQXDIRVZCJSV-UHFFFAOYSA-N	321.380	3.338	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cc1	179547629	MMBPZBSXESNPTN-KBXCAEBGSA-N	316.445	3.154	10	20	DGCD	
O=C(NCC1(Sc2ccccc2)CC1)c1cccc(O)c1O	188460425	BTZIAVLELZKLOD-UHFFFAOYSA-N	315.394	3.153	10	20	DGCD	
Cc1cc2ncc([C@H](C)NCc3ccc(N(C)C)cc3)c(C)n2n1	120568166	OHEFYUOJSMRZOT-AWEZNQCLSA-N	323.444	3.263	10	20	DGCD	
Cc1ccc(O)c(CNc2nnc([C@H]3Cc4ccccc4O3)o2)c1	181753504	PIOXMLDOLUMWDR-MRXNPFEDSA-N	323.352	3.372	10	20	DGCD	
CN1CCCc2cc(CN[C@H](c3nccn3C)C3CC3)ccc21	183262231	FPPQUNSBGNMIIK-SFHVURJKSA-N	310.445	3.043	10	20	DGCD	
COc1cc(NCCN[C@@H](C)c2ccccc2O)cc(OC)c1	183626102	VHUUJFCPWWKZAN-ZDUSSCGKSA-N	316.401	3.172	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCOC(C)C	43062639	BZJPUYGBRCYNKG-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
CC[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1	90178139	BHBJBERRFMVIRM-WBVHZDCISA-N	317.477	3.193	10	20	DGCD	
COc1ccc(OC)c(CN[C@H](C)c2cc(F)ccc2O)c1	273412823	QDWXNNBCTVRHFZ-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)COCC(F)(F)F)c1	273585111	NNIAIAGTRDNOHR-UWVGGRQHSA-N	307.312	3.019	10	20	DGCD	
Cc1ccc([C@H](C)NCCc2cccc(C(N)=O)c2)c(O)c1C	273500966	QCQKYKUTXZVOLN-AWEZNQCLSA-N	312.413	3.001	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](C(=O)O)C(C)C)cc1F	277312731	NMZSOGLNZIYLLV-CQSZACIVSA-N	310.413	3.118	10	20	DGCD	
C[C@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(N(C)C)cc1	370670001	UPENJIGDRSYCHO-HNNXBMFYSA-N	321.428	3.184	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H]2CCC(F)(F)C2)c1O	281852393	YKWZQEXXNZZMBT-MRVPVSSYSA-N	320.723	3.479	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H]2c2nc(C)no2)c1O	289818749	NZYAHKSWIHXMBO-LBPRGKRZSA-N	323.780	3.083	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC3(CCC3)CC2)cc1F	806634310	JOMOYOLDHGBDHK-UHFFFAOYSA-N	319.424	3.367	10	20	DGCD	
O=C(NC1CC1)c1cccc(CN[C@H]2CCc3cccc(O)c32)c1	297734134	NRMJZFSGZHUQSM-KRWDZBQOSA-N	322.408	3.062	10	20	DGCD	
C[C@@H](CO)N(Cc1c(O)ccc(Cl)c1F)CC1CCC1	809665588	WRVGKTLCKDQLMO-JTQLQIEISA-N	301.789	3.168	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc(Cl)cn1)c1ccc(N(C)C)cc1	803120528	JJPFGWQGCWPCHP-LBPRGKRZSA-N	317.820	3.221	10	20	DGCD	
Cc1cc(C(=O)NC[C@H]2CCCOC2)c(C)n1-c1ccccc1	299171592	VWJCWFUOMJHWHO-MRXNPFEDSA-N	312.413	3.251	10	20	DGCD	
CC[C@H](C)[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819586330	NNUNKWPLLSIKLY-ARFHVFGLSA-N	318.461	3.320	10	20	DGCD	
C[C@@H](CN1CCC[C@@H](C)C1)NCc1cc(Cl)c(F)cc1O	816538216	JJCPUWWQDWKWGT-NEPJUHHUSA-N	314.832	3.395	10	20	DGCD	
C[C@H](NCCOCC1CC1)c1cccc(C(F)(F)F)c1O	815577997	FGWQZQSHWJIYPH-JTQLQIEISA-N	303.324	3.488	10	20	DGCD	
Cc1c([C@H](C)NCCc2ccc(N)cc2)cnn1C(C)(C)C	817956746	BVOJRNKWDYXMNW-ZDUSSCGKSA-N	300.450	3.422	10	20	DGCD	
COc1cccc(CNCc2cc(Cl)c(C)cc2O)c1O	825916610	QTEXYUCBYGERHW-UHFFFAOYSA-N	307.777	3.358	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn2ccccc12	731897154	OQHOPVIWEDNXKM-UHFFFAOYSA-N	322.412	3.063	10	20	DGCD	
O=C(O)C[C@H](NCc1ccc2c(c1)CCCO2)C1CCCC1	900044861	AVAOMDCYUQZINY-INIZCTEOSA-N	303.402	3.135	10	20	DGCD	
O=S(=O)(/C=C\c1cccc(Cl)c1)Nc1ccc(O)cc1	588481477	PAAHCHGTUAKZMC-HJWRWDBZSA-N	309.774	3.458	10	20	DGCD	
CCC[C@@H](C)C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	900030816	JIRJOAFJJWITGL-CJNGLKHVSA-N	305.418	3.381	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)C3CCC3)CC2)cc1	837358332	PVIPWHJOYNDJOV-HNNXBMFYSA-N	316.445	3.170	10	20	DGCD	
CCCCCC[C@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832274430	SZFJHDYMBHZLEX-YJBOKZPZSA-N	319.493	3.475	10	20	DGCD	
CCCCCCO[C@@H](C)C(=O)NCc1cc(OC)ccc1O	839685020	SXGWBAQRDMSQKO-ZDUSSCGKSA-N	309.406	3.002	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cc(N(C)C)ccn2)c2c(O)ccc(F)c21	903198072	FDUZDJNGASSORG-XHDPSFHLSA-N	315.392	3.330	10	20	DGCD	
C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	733332515	CYKNXJOXUGIAGV-CKEIUWERSA-N	303.450	3.377	10	20	DGCD	
CCOc1ccc(N(CC)Cc2nc([C@H](C)OC)no2)cc1	747840315	NMYCALVPMAIJRF-LBPRGKRZSA-N	305.378	3.202	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC(c2c[nH]nc2C)CC1	840943643	WXJJUVVLRHQEKN-UHFFFAOYSA-N	312.461	3.472	10	20	DGCD	
COCCN(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	919989586	ZIAPCJSBQIKHDP-UHFFFAOYSA-N	320.820	3.466	10	20	DGCD	
CC[C@H](NC[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	840881653	PHIJIAKMYLBVJQ-DYVFJYSZSA-N	321.367	3.487	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@H](C(=O)O)C2)cc1F	843303649	CUARJOFHXIHCTF-GJZGRUSLSA-N	322.424	3.405	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cccc(OC)c2O)cc1F	846137608	UHFRRWSWYITFDV-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
CN(C)c1ccc(CN[C@](C)(CO)C2CCCCC2)cc1F	740013290	CGMSLRKQBBKJKM-GOSISDBHSA-N	308.441	3.313	10	20	DGCD	
CC[C@@H](C)[C@H](C)N(C(=O)NCCc1ccc(N)cc1)C1CC1	841957147	FRYJNDZLNFNMLW-KGLIPLIRSA-N	303.450	3.420	10	20	DGCD	
CCCN(Cc1c(O)ccc(Cl)c1F)[C@H]1CCN(C)C1	843423174	YAMXKYSYBJORSR-NSHDSACASA-N	300.805	3.101	10	20	DGCD	
COc1cccc(C(C)(C)CNC(=O)Nc2ccc(N)cc2)c1	841298529	QPNHLBBOUYOSPE-UHFFFAOYSA-N	313.401	3.377	10	20	DGCD	
CCc1cccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O	848917540	UUZAEGOBPPUOBT-ZWKOTPCHSA-N	303.446	3.328	10	20	DGCD	
CCc1cccc(CN[C@@H](C(=O)OC)c2ccccc2F)c1O	848904329	QISTXNAKBNPLRU-MRXNPFEDSA-N	317.360	3.098	10	20	DGCD	
CCNC(=O)C1(CN[C@@H](CC)c2cc(Cl)ccc2O)CCC1	754106663	SFUPDCYXSFGROW-AWEZNQCLSA-N	324.852	3.393	10	20	DGCD	
CO[C@H]1C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1	858585355	FVMHXUXOLNNRJW-YDHLFZDLSA-N	324.852	3.005	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnn(C2CCCC2)c1	928793180	KNRQPEXHBWRDAN-VURMDHGXSA-N	313.357	3.061	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC2(CC(C)C)CCC2)c1	757206775	FEFJMYAMVWYFRM-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)NCc2cc(C)ccc2O)cc1	858571843	HLPOTFGZIYQLFI-DLBZAZTESA-N	310.397	3.364	10	20	DGCD	
COc1cc(CN[C@H](CO)C2CCCC2)c(O)c(C(C)(C)C)c1	850308377	YLSFCCDVVWJGHE-QGZVFWFLSA-N	321.461	3.339	10	20	DGCD	
CCOc1ccc(CN2CCO[C@H](c3ccccc3)C2)c(O)c1	768239442	WEVYWLIGBDASNI-IBGZPJMESA-N	313.397	3.364	10	20	DGCD	
O=C(NC1CCC(O)(c2ccccc2)CC1)c1cc(O)cs1	761185090	IYOFVILIKFIGJK-UHFFFAOYSA-N	317.410	3.014	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCn3cccc3C2)c1O	932532171	JWNOMQFDWZPKCO-UHFFFAOYSA-N	304.777	3.066	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1n[nH]c2ccccc12	765654227	HHQAISAGSUDHCZ-UHFFFAOYSA-N	308.385	3.028	10	20	DGCD	
c1cc(NCc2ccc(N3CCOCC3)cc2)c2nccnc2c1	865840521	KDOIJJSPWRYNPV-UHFFFAOYSA-N	320.396	3.079	10	20	DGCD	
CCOc1ccc(CN(CCCO)Cc2ccccc2)c(O)c1	769325761	AQYZYMSEMRHHRK-UHFFFAOYSA-N	315.413	3.176	10	20	DGCD	
CC(C)O[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)C1(C)C	768450552	QXOQYONEFQXIFX-HZPDHXFCSA-N	320.433	3.126	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1	773785985	GALKNSRUQURVOZ-HNNXBMFYSA-N	309.413	3.102	10	20	DGCD	
COC1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCCCC1	775562368	IACKKZCBBIJJKT-GFCCVEGCSA-N	308.378	3.300	10	20	DGCD	
CN(Cc1cccc(O)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	771934713	CPEFIZNEUPPSLK-UHFFFAOYSA-N	322.748	3.291	10	20	DGCD	
C[C@@H](NC(=O)NC[C@H]1CCCS1)c1ccc(N(C)C)cc1	773375802	MDMUKFQWLMEGGH-IUODEOHRSA-N	307.463	3.008	10	20	DGCD	
CCOC(=O)c1c[nH]c2ccccc2c1=NCc1ccccc1O	774523070	DRUXNPLIMDWHKQ-UHFFFAOYSA-N	322.364	3.151	10	20	DGCD	
CCOc1ccc(N(CC)Cc2ncnn2CC(C)C)cc1	778949710	SEJOQUXWSYNDII-UHFFFAOYSA-N	302.422	3.359	10	20	DGCD	
C[C@H](Nc1ccc(OC2COC2)cc1)c1c(O)cccc1F	886597225	ZOVSOQCRVCHZJX-NSHDSACASA-N	303.333	3.482	10	20	DGCD	
CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1	772588983	WTMQTPVEZSBTED-LLVKDONJSA-N	300.358	3.039	10	20	DGCD	
C[C@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	888589350	ITNVYOTVHZLEQC-ZDUSSCGKSA-N	321.384	3.270	10	20	DGCD	
CC[C@H](N[C@@H](COC)[C@@H]1CCCO1)c1cc(Cl)ccc1O	788618443	FWVJJAQTEDPKMD-DZKIICNBSA-N	313.825	3.280	10	20	DGCD	
Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	780919483	JJAZKCWNGHKRPV-CQSZACIVSA-N	311.381	3.344	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)C[C@@H](O)c2ccccc2)c1O	894365865	AXVCKTAGIPNCBU-WMLDXEAASA-N	315.413	3.311	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1nccs1	784056640	WJJPWBOOKWHWRP-UHFFFAOYSA-N	321.365	3.105	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](CCO)c2ccccc2F)c1O	895086831	WMKKCHFICGYRDT-INIZCTEOSA-N	319.376	3.062	10	20	DGCD	
CNC(=O)Nc1cc(NCc2ccc(N(C)C)cc2)ccc1F	796469775	RHIVZQUIPMOJKR-UHFFFAOYSA-N	316.380	3.255	10	20	DGCD	
CN(c1ccc(CNC(=O)NCCF)cc1)C1CCCCC1	798058475	HROPFZLRUDJKAP-UHFFFAOYSA-N	307.413	3.224	10	20	DGCD	
COc1cc(Br)cc(CNC/C=C\C2CC2)c1O	1327869626	YRUVZOKHTNOEOB-IHWYPQMZSA-N	312.207	3.219	10	20	DGCD	
C[C@H]1CCCN(C(=O)CCN[C@H](C)c2cc(Cl)ccc2O)C1	1325355582	CWMBVLBAEFBAFV-QWHCGFSZSA-N	324.852	3.345	10	20	DGCD	
Nc1ccc(CN2CCC(C(=O)c3ccc(O)cc3)CC2)cc1	1334773883	ALDHNKZGFPMODU-UHFFFAOYSA-N	310.397	3.069	10	20	DGCD	
CCOC[C@H](NCc1cc(F)c(N(C)C)cc1F)C(C)C	1261814336	YOSWHGAGUHAPDD-HNNXBMFYSA-N	300.393	3.182	10	20	DGCD	
CC[C@@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1336893592	LQMUNZSZHICJQT-QGZVFWFLSA-N	319.468	3.342	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@@H](F)C3)ccc21	1261452201	WLYYYPOSFRGUOE-HZPDHXFCSA-N	319.424	3.149	10	20	DGCD	
COc1ccc(COc2ccc(N(C)C)c(C(=O)O)c2)cc1F	1607263869	VZQXRINVCNIJKR-UHFFFAOYSA-N	319.332	3.178	10	20	DGCD	
CC(C)CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)O	1776323359	VUBXFFIFPQJNAY-CQSZACIVSA-N	314.376	3.010	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN[C@H]1CCCC12OCCO2	715596913	AQHPDZAVWWJEMC-SFHVURJKSA-N	316.445	3.062	10	20	DGCD	
CCCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	53954697	BQJKCMKBQMASPU-INIZCTEOSA-N	320.433	3.273	10	20	DGCD	
CCSc1cc(C(=O)N(C)Cc2ccccc2O)ccn1	54080703	RXOKYYMPIMGUBA-UHFFFAOYSA-N	302.399	3.171	10	20	DGCD	
CC(C)(C)CCCC(=O)NCc1ccc(N2CCOCC2)cc1	103431842	WIOXDELJGCUIAO-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
CCC[C@@H](O)CN[C@@H](CC)c1cc(Br)ccc1O	119239834	YVZMIYVSGYAZCR-YPMHNXCESA-N	316.239	3.356	10	20	DGCD	
CC[C@@H](C)[C@@](C)(O)CNC1CCN(c2ccc(OC)cc2)CC1	305138072	PECSVNLIMCZPNM-BEFAXECRSA-N	320.477	3.051	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(OC(C)=O)cc2)c1	182471708	FLLQCEQVDLKRGZ-LBPRGKRZSA-N	315.369	3.177	10	20	DGCD	
Cc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)ccn1	302221033	NHGXWQJITIMHPF-UHFFFAOYSA-N	311.429	3.211	10	20	DGCD	
CCOC[C@H](NCc1cccc(Br)c1O)C(C)C	188869078	VUKISLAXCIGOHA-ZDUSSCGKSA-N	316.239	3.305	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cn3c(C)cccc3n2)c1	182410917	DEPSENVSCAPIHJ-CYBMUJFWSA-N	311.385	3.208	10	20	DGCD	
CN1C(=O)/C(=C\c2cc(Br)cs2)SC1=S	78269145	GMYCFKFAFPEQDD-XVNBXDOJSA-N	320.258	3.342	10	20	DGCD	
COc1ccc(N2CCN(C(=O)c3c(C)cccc3C)CC2)cc1	73851175	OLEUXKPAPMQPFD-UHFFFAOYSA-N	324.424	3.274	10	20	DGCD	
O=C(O)[C@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1O	316065034	PFYFYCUATCVETF-MRXNPFEDSA-N	317.772	3.230	10	20	DGCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(O)c1	195454624	VJVMUGHMHAUMQL-HNNXBMFYSA-N	312.413	3.080	10	20	DGCD	
Cc1cccc(F)c1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	194002805	YINLNGYZEHHNLU-LLVKDONJSA-N	318.348	3.298	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2cccc(OC)c2O)C1(CC)CC	236976454	XKQAPYKVJUGZID-CVEARBPZSA-N	307.434	3.474	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1	90655179	PZMFVWRQQKRFOC-RZQQEMMASA-N	312.457	3.395	10	20	DGCD	
CC[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1	255228094	QWWFODWDBYKNKP-LZNQSLFOSA-N	312.344	3.438	10	20	DGCD	
COc1ccc(N2CCCN(Cc3cnccc3C)CC2)cc1	372191127	GCGLXPRQAMGLJX-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
Oc1ccccc1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21	289243207	DTZSPRUOOBQYOT-QRVBRYPASA-N	309.409	3.397	10	20	DGCD	
CCN(Cc1ccncc1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	289928089	WGAUKJAOLWLVNY-UHFFFAOYSA-N	321.764	3.371	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]2CC[C@H]1O2	282503057	NQADUCKOMUGQHC-HLLBOEOZSA-N	303.402	3.088	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H](C)c2noc(C)n2)cc1	809933012	NIDKDRJORICEFW-CYBMUJFWSA-N	302.422	3.417	10	20	DGCD	
COc1cccc(CNCc2ncccc2C(F)(F)F)c1O	809740238	QQIJRTRHXZZQLY-UHFFFAOYSA-N	312.291	3.104	10	20	DGCD	
Cn1cc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)nn1	807922518	SYBJKUBZOKDCBO-UHFFFAOYSA-N	306.329	3.483	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)N[C@H]2CCc3cccc(O)c32)n[nH]1	296404358	KNJHDQZPCXDLAW-LOWVWBTDSA-N	300.406	3.362	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1cnn2ccccc12	816608634	FMUAMHWFBKZDDX-UHFFFAOYSA-N	305.740	3.122	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cnc2c(F)cccc2c1	815796726	JDGJOAGESVQIPK-UHFFFAOYSA-N	310.328	3.352	10	20	DGCD	
CC[C@H](NC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1O	810213165	NQUUNVPOIGNUQB-GWCFXTLKSA-N	303.324	3.488	10	20	DGCD	
C[C@@H](N[C@@H]1CCCNCC1)c1ccc(N2CCCCC2)cc1	817969087	QZRWJUPJVPJBPP-SJLPKXTDSA-N	301.478	3.470	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3ccc(C)cn3)C2)cc1	818222417	SIRRPBPGZHDEMP-INIZCTEOSA-N	311.429	3.015	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cnn(C(C)(C)C)c2)c1	813330616	BDIIIEGQPXTCLS-GFCCVEGCSA-N	303.406	3.203	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)/C(C)=C(\C)CC	819697022	LWHFKOOPEASPAX-BUHFOSPRSA-N	319.401	3.030	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1ccc(OCC)cc1O	827750529	IPDSLTVUSLSLKQ-WMZOPIPTSA-N	321.417	3.002	10	20	DGCD	
Cc1cc(CNCc2ccc(Br)cc2O)cc(C)n1	826129908	BMFQKJLIVXUNIL-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
CO[C@H](C)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	726547693	PBOTZWVFSRYFMA-CYBMUJFWSA-N	318.392	3.388	10	20	DGCD	
Cc1cccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)c1	589126815	WOBVNNUGESYXIK-UHFFFAOYSA-N	306.369	3.067	10	20	DGCD	
Cc1cc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1	736600177	SEZVQOOPAOBMBB-VVYDWRJNSA-N	323.502	3.339	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC1CCC(F)(F)CC1	837587211	JCBBOJOIJGQYPS-DUXPYHPUSA-N	312.312	3.480	10	20	DGCD	
Cc1ccc(C(=O)N2CCCc3ccccc3CC2)c(O)c1O	836921290	WGBGPTVPXXZCBZ-UHFFFAOYSA-N	311.381	3.037	10	20	DGCD	
Cc1csc([C@@H](C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	832431997	XTJMZQRFZHSYIR-QWHCGFSZSA-N	317.458	3.498	10	20	DGCD	
C[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(Cl)cc1O	841754145	ZWQZDNSZCBLQAH-SNVBAGLBSA-N	308.813	3.243	10	20	DGCD	
Cc1ncoc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	747201474	FIAATXBGOCELDU-UHFFFAOYSA-N	313.401	3.246	10	20	DGCD	
CN(C)c1ccc(CN(C[C@H](O)Cc2ccccc2)C2CC2)cc1	917014219	OVFJFYMCZIEPER-OAQYLSRUSA-N	324.468	3.321	10	20	DGCD	
CCn1c(/C(Cl)=C/c2cn(C)nn2)nc2c(F)cccc21	741467484	OOGTZULXROHQIS-YFHOEESVSA-N	305.744	3.061	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)Nc2ccc(O)cc2)cc1	747682128	JFZKREOLKUKSIB-UHFFFAOYSA-N	314.385	3.256	10	20	DGCD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1	740023192	OCWPJUHXIBNRRF-FOLVSLTJSA-N	303.450	3.377	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@H](C)[C@@H]1C	842181599	YUCFOKIOOIPTON-IJLUTSLNSA-N	313.492	3.311	10	20	DGCD	
COc1cc(Cl)cc(CNCc2cc(C)cc(N)c2)c1O	841071917	VKFXIRIXGJFOSA-UHFFFAOYSA-N	306.793	3.235	10	20	DGCD	
CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1	840889843	IUXAXALYSRXJPA-CVEARBPZSA-N	317.477	3.241	10	20	DGCD	
COc1ccc(N2CCN(c3nc(C)c(C)s3)CC2)cc1F	756970362	KBRXVWPGCXJSRU-UHFFFAOYSA-N	321.421	3.234	10	20	DGCD	
COc1ccc(C)cc1CNC(=O)NCc1cc(C)ccc1O	858119614	QARYZPDJBFJXID-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
COc1cccnc1NCc1ccc(N2CCSCC2)cc1	858353441	LIBAGCCVYIJHNQ-UHFFFAOYSA-N	315.442	3.256	10	20	DGCD	
C[C@@H]1C[C@H](NCCNC(=O)OC(C)(C)C)c2c(O)ccc(F)c21	756517954	RIRWOGJETOWBCE-PWSUYJOCSA-N	324.396	3.194	10	20	DGCD	
COc1ccc2c(c1)OC[C@@H](N[C@@H](C)c1ccc(F)cc1O)C2	756774578	KBKWPFHDYNPMJO-FZMZJTMJSA-N	317.360	3.194	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@H](C)[C@H]2CCCOC2)c1O	754566980	NCWLZBDHPMJWMW-PWSUYJOCSA-N	311.809	3.153	10	20	DGCD	
COC[C@H](Cc1ccccc1)N[C@H](C)c1ccc(F)cc1O	756637809	PJSSTSIKPQTGRW-CJNGLKHVSA-N	303.377	3.440	10	20	DGCD	
COc1ccc(-n2c(C)cc(CN(C)Cc3cc[nH]n3)c2C)cc1	769385243	UMHYMHJHMAOBRF-UHFFFAOYSA-N	324.428	3.458	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCCC(C)(C)O	765459515	LTHXZDTZUREFAL-UHFFFAOYSA-N	307.415	3.473	10	20	DGCD	
CCN(CCC(F)(F)F)Cc1cc(OC)c(OC)cc1O	768444579	MNBYZLIENOUJIZ-UHFFFAOYSA-N	307.312	3.184	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCc3cc(C)ccc3O2)c1	862756443	YJTWJTHHUNEWCQ-GOSISDBHSA-N	311.381	3.019	10	20	DGCD	
CC[C@H](NCCCNc1ncccn1)c1cc(Cl)ccc1O	775512973	UYEPTOBCHHUMKG-AWEZNQCLSA-N	320.824	3.379	10	20	DGCD	
C[C@H](NC(=O)NC[C@@H]1CCCCS1)c1ccc(N(C)C)cc1	773626109	MFXKRLTVMREBLA-BBRMVZONSA-N	321.490	3.399	10	20	DGCD	
CC(C)n1nccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773000919	QRBNBGNTODNSKM-ZDUSSCGKSA-N	300.406	3.021	10	20	DGCD	
CCC1(C)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1	774869207	JIRHMQGMTMQLTG-UHFFFAOYSA-N	308.378	3.321	10	20	DGCD	
COc1cccc(CCNCc2cc(F)cc(F)c2O)c1OC	882902562	JHVXLCDSTTWGKP-UHFFFAOYSA-N	323.339	3.020	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC([C@H]2CCOC2)CC1	784005281	KHRJPOOXYKZUKK-INIZCTEOSA-N	312.413	3.189	10	20	DGCD	
C[C@H](NCc1ccccc1Cn1ccnc1)c1ccccc1O	783498863	JKZZBTYWEIWJLV-HNNXBMFYSA-N	307.397	3.488	10	20	DGCD	
COc1cc(C)cc(CNCc2c(F)cc(F)cc2F)c1O	894861544	KMFXUSYSLUOLTH-UHFFFAOYSA-N	311.303	3.416	10	20	DGCD	
CN(C)c1ccc([C@@H](CNC(=O)CCC2CCC2)N(C)C)cc1	891254504	YLYYAFFCTQAOMB-GOSISDBHSA-N	317.477	3.052	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2(SC)CC2)cc1	788671528	LZJYJFCQFWJXDW-UHFFFAOYSA-N	306.475	3.387	10	20	DGCD	
COC(=O)Nc1cccc(CN[C@@H](C)c2ccccc2O)c1	797077239	VMFPVYZXNAMLOI-LBPRGKRZSA-N	300.358	3.421	10	20	DGCD	
COC(=O)Nc1cccc(NCc2cc(OC)ccc2O)c1C	798086931	ZNXLWSIECBJJDF-UHFFFAOYSA-N	316.357	3.500	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCCc1ccc2c[nH]nc2c1	793610339	UIFQCZDTRNGWHF-UHFFFAOYSA-N	319.767	3.393	10	20	DGCD	
COCc1cccc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)c1	1610272423	OWUNKQQZHOABPL-LBPRGKRZSA-N	315.369	3.088	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)CCn2cccn2)cc1F	157772910	UWYJYETZBDRRSA-HNNXBMFYSA-N	318.440	3.437	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)c3cn[nH]c3C)CC2)cc1	154146686	LKXOGVGNDSYQDP-ZDUSSCGKSA-N	314.433	3.046	10	20	DGCD	
C[C@H]1C[C@H](NCc2c(O)cccc2Br)C[C@@H](C)O1	706813227	WAIJCMNHNXXHCV-JGPRNRPPSA-N	314.223	3.200	10	20	DGCD	
O=C(NCC1CC1)N(Cc1ccco1)Cc1ccccc1O	171006486	ZJUXKTGSVTUMAN-UHFFFAOYSA-N	300.358	3.107	10	20	DGCD	
CNC(=O)c1cccc(CN(C)c2ccc(OC)c(Cl)c2)c1	121873086	SPUADUBERUKHJL-UHFFFAOYSA-N	318.804	3.345	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H](c3ccn[nH]3)C2)c1O	184682149	YMIWJZXHNBDEMR-NSHDSACASA-N	321.808	3.157	10	20	DGCD	
Cc1c(C(=O)NCCc2ccc(O)c(O)c2)oc2ccccc12	120425771	BSXCVCUWXOQWIZ-UHFFFAOYSA-N	311.337	3.125	10	20	DGCD	
C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1	125757839	HJKMTVUVNITIID-OCCSQVGLSA-N	315.383	3.040	10	20	DGCD	
CSc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1	180607731	PIRYVMRWBVOCMU-YCRREMRBSA-N	301.367	3.472	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](CN(C)C)C2)cc1F	125491039	GSXKVPHYJCZQMM-INIZCTEOSA-N	307.457	3.055	10	20	DGCD	
Cc1cccc(C[C@H](CO)N[C@@H](C)c2ccc(F)cc2O)c1	191612113	QGXZKQDQEJJSGE-XJKSGUPXSA-N	303.377	3.094	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(c3nc(C)c(C)s3)CC2)c1	93689014	ZQUPBGDCDRPKBB-UHFFFAOYSA-N	317.458	3.096	10	20	DGCD	
CCOc1cccc(CN(C)CCOCc2ccccc2)c1O	91937021	TWAJSZTYTCCGEV-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
COC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	93441043	MRBBVGYIMFTWKB-GFCCVEGCSA-N	318.200	3.227	10	20	DGCD	
CCc1ncsc1C(=O)N(CC)Cc1ccc(N(C)C)cc1	269728618	IRHUALYXRIWTSZ-UHFFFAOYSA-N	317.458	3.434	10	20	DGCD	
CCO[C@@H](CCNC(=O)NCc1ccccc1O)C1CCCC1	266982480	NQMDBBFCFKCBDD-KRWDZBQOSA-N	320.433	3.177	10	20	DGCD	
CC[C@H](N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(C)cc1O	368446522	KYZSEFLXRUWGDU-ZVZYQTTQSA-N	305.418	3.079	10	20	DGCD	
CC(C)CS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	263715384	QHCHKELACWLTBA-UHFFFAOYSA-N	324.490	3.095	10	20	DGCD	
C[C@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1O	273364754	DTRIFRGBBUNJSX-JSGCOSHPSA-N	321.367	3.172	10	20	DGCD	
CCNC(=O)CN(CC)Cc1cc(-c2ccccc2)ccc1O	271047345	SDDIVCFDHORWST-UHFFFAOYSA-N	312.413	3.017	10	20	DGCD	
Cc1cccc(CNc2cc(F)cc(N3CCOCC3)c2)c1O	282775963	KDGUCXBXQWNVQN-UHFFFAOYSA-N	316.376	3.288	10	20	DGCD	
CC[C@@H](CSC)N(C)Cc1ccc(N2CCN(C)CC2)cc1	809767046	FSJSJKQZYGHCAA-KRWDZBQOSA-N	321.534	3.012	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@H](C4CC4)C3)cc2)CC1	809786797	LFNDMBJHFQCFGF-IBGZPJMESA-N	313.489	3.060	10	20	DGCD	
CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC(C)C	812235570	XLKOTTCGQHZXGX-UHFFFAOYSA-N	316.449	3.475	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC3CCC(OC)CC3)C2)cc1	818341638	CJJPGXBWBUIMGM-KLHKWILBSA-N	318.461	3.069	10	20	DGCD	
CC(C)[C@@H]1N(C(=O)NCc2ccc(N(C)C)cc2)CC12CCC2	813560624	IGQIUSBBEPNLNN-KRWDZBQOSA-N	315.461	3.473	10	20	DGCD	
CO[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	814415584	WNGBWSOTMJJXRC-YSVLISHTSA-N	304.434	3.135	10	20	DGCD	
COc1ccc(N(Cc2nc(C3CC3)nn2C)C(C)C)cc1F	828059765	UEXYWJLLYAHYCX-UHFFFAOYSA-N	318.396	3.255	10	20	DGCD	
CCCC[C@@](C)(F)C(=O)NCc1ccc(N2CCOCC2)cc1	823293126	XZQKFAKOOHAELD-GOSISDBHSA-N	322.424	3.058	10	20	DGCD	
CCOC(=O)[C@@H](C)OC(=O)c1sccc1-n1c(C)ccc1C	725928287	VLJKJEJINXSGNF-GFCCVEGCSA-N	321.398	3.264	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCOC(C2CC2)(C2CC2)C1	827538348	OTXDHDLIHHKFJS-UHFFFAOYSA-N	307.821	3.437	10	20	DGCD	
COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1C	588597663	ZLCUWWPAWHEADT-PTNGSMBKSA-N	316.426	3.460	10	20	DGCD	
Fc1cc(F)cc(NNC(=S)Nc2ccc3c(c2)OCO3)c1	735237730	GSJHWSGJEUOPML-UHFFFAOYSA-N	323.324	3.007	10	20	DGCD	
C[C@@]1(C(=O)O)CCCN(Cc2ccc(N3CCCCC3)cc2)C1	901698547	HMANSLKVEYLCOG-LJQANCHMSA-N	316.445	3.364	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)COC(C)(C)CC)cc1	837352975	FRVMCMWQVZDVRE-UHFFFAOYSA-N	306.450	3.354	10	20	DGCD	
COc1cc(F)cc(/C=C2/SC(N3CCCCC3)=NC2=O)c1	834409279	SYCLZYKGSXTKJZ-NTEUORMPSA-N	320.389	3.291	10	20	DGCD	
CN(C)c1ccc(CNC(=O)/C=C\c2cccc(F)c2)cc1F	746798326	UKRKXOMLODZIPS-CLFYSBASSA-N	316.351	3.360	10	20	DGCD	
CCOc1cccc(CN[C@@H](CC)C(=O)OC(C)(C)C)c1O	842771201	ICUALGVPGQDUGU-ZDUSSCGKSA-N	309.406	3.001	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](c2ccnn2C)C(C)C)c1O	846165001	KASKISLKKWKYAA-DZGCQCFKSA-N	317.433	3.225	10	20	DGCD	
COC(=O)[C@@H](CC1CC1)NCc1cc(Cl)cc(Cl)c1O	840957652	LTXZGJUDRLQFDY-GFCCVEGCSA-N	318.200	3.130	10	20	DGCD	
O=C(NCc1cccc(C(F)(F)F)c1)NCc1ccccc1O	748463556	WHYXKNHWCXLRAQ-UHFFFAOYSA-N	324.302	3.410	10	20	DGCD	
CCc1ncc(C(=O)NCc2ccc3c(c2)CCCN3C)s1	746814779	WDULOOIHGQRBQW-UHFFFAOYSA-N	315.442	3.018	10	20	DGCD	
CCc1cccc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1O	848912827	XGLSSPDJEDZUBV-CXTCDGGRSA-N	301.430	3.128	10	20	DGCD	
CN1C(=O)/C(=C\c2ccc3c(c2)OCCCCO3)SC1=S	841495457	JHXILCBGNXMBTB-UKTHLTGXSA-N	321.423	3.069	10	20	DGCD	
CCc1cccc(CN[C@H](C)c2ncc(C(=O)OC)s2)c1O	848917478	GXKQDNIJFCJNFU-SNVBAGLBSA-N	320.414	3.049	10	20	DGCD	
Cc1cc(CN(CC(=O)O)C(C)C)ccc1N1CCCCC1	846267099	NONVCKYOVHAACZ-UHFFFAOYSA-N	304.434	3.280	10	20	DGCD	
COc1ccc(N2CCCN(CCCOC(C)(C)C)CC2)cc1	756813270	QLWMKVVZAHMJNP-UHFFFAOYSA-N	320.477	3.413	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@@H](C3CCN(C)CC3)C2)c1	755777275	BFLJSLDFVRAUCD-QGZVFWFLSA-N	302.462	3.173	10	20	DGCD	
CCc1nc([C@H](C)NC(=O)NCc2cc(C)ccc2O)cs1	858210894	GTTMFRCRPDQDBS-NSHDSACASA-N	319.430	3.280	10	20	DGCD	
CC(C)CC[C@@H](CO)NCc1cc(Br)ccc1O	858241317	OXYOFHUBZBELTG-ZDUSSCGKSA-N	316.239	3.041	10	20	DGCD	
CO[C@]1(C)C[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1(C)C	756627242	SOEQTHSPLQIKAB-QSGSBWRWSA-N	308.378	3.155	10	20	DGCD	
C[C@@H](CN1CCC[C@@H](C)C1)N[C@H](C)c1cc(F)cc(F)c1O	756460795	SYFHVLYZZDDQNB-FRRDWIJNSA-N	312.404	3.441	10	20	DGCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](c2ccccc2)C1=O	761580439	UEKSSSAIWOXGRX-GUYCJALGSA-N	323.396	3.107	10	20	DGCD	
CC(C)(C)c1cnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1	865380662	BEKGPNUCGYLTSS-UHFFFAOYSA-N	306.387	3.093	10	20	DGCD	
C[C@H](NCCN1Cc2ccccc2C1)c1ccc(N(C)C)cc1	765403428	QFLXVZGGBBXRRZ-INIZCTEOSA-N	309.457	3.419	10	20	DGCD	
COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc(O)cs2)cc1	760458083	FAXOZAOHGJIPGH-JTQLQIEISA-N	319.382	3.058	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)C1CC1)c1ccc(N2CCCCC2)cc1	765931748	QONMMXRUQZOBFM-DNVCBOLYSA-N	302.462	3.489	10	20	DGCD	
O=C([C@H]1CCSC1)N(Cc1ccco1)Cc1ccccc1O	762540787	TXSSKJSLUOIGOG-AWEZNQCLSA-N	317.410	3.267	10	20	DGCD	
CC(C)C[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768463351	HJJUMHVQEPPADC-GUYCJALGSA-N	305.418	3.076	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CC[C@@H](N2CCCCC2)C1	775676950	CPACXBRTYIKKJO-CQSZACIVSA-N	312.816	3.245	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1c(O)cccc1F	886632851	HRXXXQSEOOIPJQ-IAQYHMDHSA-N	314.360	3.135	10	20	DGCD	
Cc1ccc(C(=O)N[C@H]2CCc3c(Cl)cccc32)c(O)c1O	770487995	ZHXZEKSUOGLUGL-AWEZNQCLSA-N	317.772	3.477	10	20	DGCD	
CC[C@@H](NCC1CCN(C(C)=O)CC1)c1cc(Cl)ccc1O	775502614	UQXPGCDIQLYMAJ-MRXNPFEDSA-N	324.852	3.345	10	20	DGCD	
C[C@@H]1CN(c2ccc(CNCC3(C)CC3)cc2F)C[C@@H](C)O1	785427523	ZCAQGUBGLOCGDX-ZIAGYGMSSA-N	306.425	3.329	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)c2nccn2C)c1C	788201549	QQQBTQHGQYLKDN-UHFFFAOYSA-N	322.412	3.413	10	20	DGCD	
CC(C)OCCCN(C)Cc1ccc(Br)cc1O	691679506	SJBLZXXBPOKDHF-UHFFFAOYSA-N	316.239	3.402	10	20	DGCD	
CC(C)(C)Oc1ccc(CNC(=O)c2cccc(O)c2O)cc1	790570814	HEYXLHWIIDKDAO-UHFFFAOYSA-N	315.369	3.205	10	20	DGCD	
CSC(C)(C)CNCc1c(O)cccc1Br	706881441	SCPHSWSIHVPGGC-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
COc1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c(O)c1	793389094	VMJIBHYLUNJJHU-UHFFFAOYSA-N	322.748	3.252	10	20	DGCD	
COCCN(Cc1cc(OC)c(OC)cc1O)[C@@H]1CC[C@@H](C)C1	790478761	LTIURTFCUZYHMG-UKRRQHHQSA-N	323.433	3.046	10	20	DGCD	
Fc1cc(CN[C@H]2CCC[C@H](F)C2)ccc1N1CCOCC1	1326190347	WVXLBQUFAQZJNR-GJZGRUSLSA-N	310.388	3.033	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cc(C(C)(C)C)n[nH]1	1324793551	QKQFWWWUHLJLPC-UHFFFAOYSA-N	300.450	3.405	10	20	DGCD	
C[C@H](Nc1cnn(Cc2cccnc2)c1)c1ccc(F)cc1O	1320424190	GJHZLONCJQREIQ-LBPRGKRZSA-N	312.348	3.344	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H](C)[S@@]1=O	1323981257	LDIYOIIELUWXLT-LDJQZATESA-N	320.502	3.018	10	20	DGCD	
C[C@](O)(CNCc1ccc(N2CCCC2)cc1)c1ccccc1	1253115120	GIKHADYCYUSZPV-FQEVSTJZSA-N	310.441	3.284	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccc(N)cc1)c1ccc(OC)cc1	1335910950	LXNWYPBMDQZWIL-QGZVFWFLSA-N	313.401	3.228	10	20	DGCD	
Cc1ccc(CN(C)Cc2nc(O)c3sccc3n2)c(O)c1	1331728512	OBLUPAIZRQHBSJ-UHFFFAOYSA-N	315.398	3.043	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNC[C@H]2C[C@@H](N)C2)cc1	1578498269	FWVRHMJGZLNZHB-IYBDPMFKSA-N	315.486	3.211	10	20	DGCD	
COc1ccc(N(Cc2cccc(C(=O)O)n2)C(C)C)cc1F	1599584091	GXIYWSGDRZOUHP-UHFFFAOYSA-N	318.348	3.343	10	20	DGCD	
O=C(O)C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(F)c1	1777629318	NQAAYUQANXCSQZ-INIZCTEOSA-N	315.344	3.066	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)c1ccnc(C(=O)O)c1	1777071236	GYWQQFPYJGFLCK-UHFFFAOYSA-N	311.385	3.016	10	20	DGCD	
CCN(C)c1ccc(CNC[C@H](CC2CC2)C(=O)O)c(C)c1	1776856353	OBPHZADPBDVGEI-INIZCTEOSA-N	304.434	3.042	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@]2(C(=O)O)CCC[C@@H]2C)cc1F	1776861230	RSAGMQGKESDSND-UGSOOPFHSA-N	322.424	3.405	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@]2(C)CCOC2)c1C	157115414	FZWJURQEPOQHLE-IBGZPJMESA-N	312.413	3.311	10	20	DGCD	
COc1cc(Cl)cc(CNCCCOC(C)(C)C)c1O	695286744	YANMQFIHRKQJBM-UHFFFAOYSA-N	301.814	3.349	10	20	DGCD	
COc1ccc(C)cc1NC(=O)NCc1cccc(OC)c1O	104974544	SPSAVPGNPOGRNP-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CSCc2cccs2)cc1	8171849	XSMIKRBWPXWPIH-UHFFFAOYSA-N	320.483	3.364	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCc2cc(F)ccc21	56840910	SDQOIIGDEGZDLC-INIZCTEOSA-N	314.360	3.360	10	20	DGCD	
C[C@H](Oc1ccccc1)C(=O)N(C)Cc1ccc(N(C)C)cc1	60678694	STEXIOIGYPHCNB-HNNXBMFYSA-N	312.413	3.179	10	20	DGCD	
CCOC(=O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1	302462202	VKHKYPSNHMVSEC-ZDUSSCGKSA-N	313.401	3.497	10	20	DGCD	
O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(F)nc1	186388685	LITHQRHWZZQDFY-XYOKQWHBSA-N	305.378	3.113	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)cc1F	184926854	RYZQQNOUXKAZOQ-SECBINFHSA-N	322.311	3.129	10	20	DGCD	
C[C@@H](N[C@H]1CC[C@H](CO)CC1)c1cc2c(cc1O)CCCC2	185736346	FKMUANFBUDVJFI-CPUCHLNUSA-N	303.446	3.473	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2ccc(F)cc2)c1	182460845	GRIHIBXKRXSIHR-GFCCVEGCSA-N	305.349	3.270	10	20	DGCD	
CCC[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	122692622	YGRBBRKSEXQWFS-AWEZNQCLSA-N	322.424	3.105	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccncc1F	184148504	LRLRFZAARCJKSV-UHFFFAOYSA-N	315.348	3.127	10	20	DGCD	
Fc1ccc(CNCc2ccc(N3CCSCC3)cc2)cn1	188994970	RLNKAJCYAQUOPE-UHFFFAOYSA-N	317.433	3.064	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2ccsc2)c1	131085148	CKDPXXBOJTZJHY-GHMZBOCLSA-N	305.399	3.443	10	20	DGCD	
O=C(O)C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O	86791731	JLYOKXDXBKUTDN-SNVBAGLBSA-N	304.173	3.138	10	20	DGCD	
Cc1c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCN2)n(C)c2ccccc12	423085839	LOUACBYTVMNRKL-FGTMMUONSA-N	311.473	3.497	10	20	DGCD	
COc1cccc(CN2CCC[C@@H](Nc3ccccc3)C2)c1O	93704394	DBRLVVYAKIMQRD-QGZVFWFLSA-N	312.413	3.477	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2CCN(C)c3cc(F)ccc32)s1	255632991	FGOMRDNJLNLOKX-XQRVVYSFSA-N	317.389	3.087	10	20	DGCD	
COc1cc(O)c(CN[C@H]2CCO[C@@H](CC(C)C)C2)cc1OC	271955125	CIOSQJVRUCNABB-GJZGRUSLSA-N	323.433	3.093	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CCO1	279772523	AKKOPAVPISRSKU-WCQYABFASA-N	316.367	3.429	10	20	DGCD	
COc1ccc(O)c(CN(C)[C@H](CO)c2ccc(Cl)cc2)c1	294942118	CJHJSZJPAHZRJR-MRXNPFEDSA-N	321.804	3.220	10	20	DGCD	
CC1(NC(=S)NCc2cc(Cl)cc(Cl)c2O)CC1	806599441	SCWXAMNKMQWZOR-UHFFFAOYSA-N	305.230	3.216	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccsc3)C2)cc1	819580390	IXHWBNPIWAWIRJ-ZDUSSCGKSA-N	316.426	3.013	10	20	DGCD	
COCCN(Cc1ccccn1)Cc1cc(Cl)c(F)cc1O	816610626	RQZNSKDTUOIMRX-UHFFFAOYSA-N	324.783	3.228	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)[C@H]([C@@H](C)O)C1	816587771	VXGKGHUKQBSKSJ-RULNRJAQSA-N	301.789	3.166	10	20	DGCD	
CC[C@H](c1ccccc1)N1C(=O)CN(Cc2ccccc2O)C1=O	819166364	VAMMTAIEMLCQOG-MRXNPFEDSA-N	324.380	3.308	10	20	DGCD	
C[C@H](NC[C@H]1CCCCN1)c1ccc(N2CCCCC2)cc1	817945851	NINLLWDPKPRFBX-FUHWJXTLSA-N	301.478	3.470	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCc3cn[nH]c3)c2C)c1	811613000	ZNJJEWSOHXUEGF-UHFFFAOYSA-N	322.412	3.098	10	20	DGCD	
CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C1CC1	811513842	SGICBWBTWREUBM-GOSISDBHSA-N	318.436	3.283	10	20	DGCD	
C[C@H]1C[C@@H](NCCc2ccc(N)cc2)CN1Cc1ccccc1	817956089	QJFBETRHANTCJI-OXJNMPFZSA-N	309.457	3.064	10	20	DGCD	
Cc1cccc(CC(=O)NCc2ccc3c(c2)CCCN3C)c1	726755738	GZWNWERGGSZJGX-UHFFFAOYSA-N	308.425	3.236	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	827605014	DPZHPWWNWKUNJA-HYVNUMGLSA-N	301.434	3.083	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cn(-c2ccccc2)nn1	726788763	ICFOULCPHZJKJP-UHFFFAOYSA-N	320.396	3.229	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCCCSc2nccs2)[C@@H]1SC	838963471	VOGCUJWLSCTENL-UTUOFQBUSA-N	318.533	3.124	10	20	DGCD	
Cc1cc([C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1	903449642	YYANMBCZEXWNKR-KDOFPFPSSA-N	316.449	3.003	10	20	DGCD	
Cc1cccc(/C=C2/SC(=S)NC2=O)c1OC(F)F	588393744	ZDQZCBBYJZTXAI-VMPITWQZSA-N	301.339	3.085	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnc2ccccc2c1	588403265	IIYLJHWEURTQDW-VURMDHGXSA-N	306.321	3.298	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1ccccc1N1CCOCC1)CC2	834541565	YWPDZBIDCCJGMV-KRWDZBQOSA-N	324.424	3.006	10	20	DGCD	
CC[C@@H](C)[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	746724440	GCFKIYHHWUAOGV-KGLIPLIRSA-N	303.450	3.303	10	20	DGCD	
CCC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	749351430	WVPRAHXNPVZGCP-UHFFFAOYSA-N	304.459	3.046	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1	841955623	IKSSCCHGPPPPEM-GOSISDBHSA-N	323.440	3.401	10	20	DGCD	
CC[C@H](SC)C(=O)NCc1ccc(N2CCCCC2)cc1	746840046	XSLVGLZBIILTKL-INIZCTEOSA-N	306.475	3.435	10	20	DGCD	
C[C@H](NCC1(N(C)C)CC1)c1ccc(N2CCCCC2)cc1	841763914	SNGDKULWWYHEDL-INIZCTEOSA-N	301.478	3.422	10	20	DGCD	
C[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1	916590773	NVMFZHRILGMIHG-GFCCVEGCSA-N	314.337	3.018	10	20	DGCD	
COc1ccc(N(Cc2cccs2)C[C@@H]2CCNC2)cc1	843356037	BSFAPQFRNYPSFV-CQSZACIVSA-N	302.443	3.373	10	20	DGCD	
Cc1cccc(CN(C2CC2)[C@@H](C)C(=O)OC(C)(C)C)c1O	840958762	RZELJNDUEJGRDX-ZDUSSCGKSA-N	305.418	3.395	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2CC(=O)O)ccc1N1CCCCC1	846274215	JDGDKUZJPBNHRK-QGZVFWFLSA-N	316.445	3.424	10	20	DGCD	
C[C@H](N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(N(C)C)cc1	848568695	OQBMUPNFLMXWMB-IPELMVKDSA-N	301.478	3.420	10	20	DGCD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCc2ccccc2O)o1	748458799	CLBLTRFJORUFKX-FZMZJTMJSA-N	300.358	3.108	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32	926597591	ZUPXRWKYVHHMCD-YUFJOFOMSA-N	314.473	3.005	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cccc(F)n2)cc1	763434677	SJDYIMIMJMIODU-UHFFFAOYSA-N	315.392	3.339	10	20	DGCD	
CCC[C@@]1(CO)CCN(Cc2cc(F)c(N(C)C)cc2F)C1	862371431	IWPAECBSOPKVEX-QGZVFWFLSA-N	312.404	3.015	10	20	DGCD	
Cc1c(CN2CCCc3cc(OC(F)F)ccc32)cnn1C	766860971	NVJJMENBYWIQDP-UHFFFAOYSA-N	307.344	3.283	10	20	DGCD	
Cc1cc(C)c(/C=C\C(=O)NCc2ccc(O)c(O)c2)cc1C	778927726	UAIJIYLFUCHJIM-ALCCZGGFSA-N	311.381	3.353	10	20	DGCD	
Cc1cccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O	775691510	YMMJYMZADRLCIN-CQSZACIVSA-N	320.433	3.142	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1O	879649104	IFGVGXHQCLTLMR-HUUCEWRRSA-N	318.461	3.328	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H]3CCSC3)CC2)cc1	785446769	UUYLKABKEUIOOM-CQSZACIVSA-N	306.475	3.007	10	20	DGCD	
COC(=O)CCc1cccc(NCc2cccc(OC)c2O)c1	786577910	SJDNYTDHJKXJOG-UHFFFAOYSA-N	315.369	3.119	10	20	DGCD	
CC[C@@H](NCc1cocn1)c1cc(Br)ccc1O	397997557	QZEUOUOTHJDEIH-GFCCVEGCSA-N	311.179	3.384	10	20	DGCD	
O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1O	790874330	COXKDKFASWNREZ-NXEZZACHSA-N	317.307	3.196	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H]1CCc2ccccc21	1324511907	AMHNZOHBARJAKX-DIEDAUMRSA-N	323.392	3.347	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cccc([S@](C)=O)c2)cc1F	1329722691	NVUMCESZBGCJPY-QFIPXVFZSA-N	324.396	3.380	10	20	DGCD	
C[C@H](C[C@H](O)c1ccco1)NCc1cc(F)c(N(C)C)cc1F	1261787870	DMPUJWJGDMFDGD-BZNIZROVSA-N	324.371	3.226	10	20	DGCD	
C[C@@H](CCC[C@@H](C)NCc1cc(F)cc(F)c1O)C(=O)O	1262162401	NLWVCJYBLGIZFS-VHSXEESVSA-N	301.333	3.040	10	20	DGCD	
O=C(O)CCC1(NCc2ccc(F)c(F)c2O)CCCCC1	1601975045	RRBZSMZXARSBSP-UHFFFAOYSA-N	313.344	3.328	10	20	DGCD	
CCC1CCC(NCc2ccc(N(C)C)cc2)(C(=O)O)CC1	1776737159	IXFYIBXSGCJKLM-UHFFFAOYSA-N	304.434	3.266	10	20	DGCD	
CCN1CCC(NCc2cc(Cl)cc(Cl)c2O)CC1	38097943	WMIPSQCEOSGTLO-UHFFFAOYSA-N	303.233	3.273	10	20	DGCD	
C[C@@H]1CC(NCc2c(O)cccc2Br)C[C@@H](C)O1	706813230	WAIJCMNHNXXHCV-NXEZZACHSA-N	314.223	3.200	10	20	DGCD	
CC[C@]1(C)COCCN1Cc1c(O)cccc1Br	707129707	LLHLUCPAEBHIHP-CQSZACIVSA-N	314.223	3.156	10	20	DGCD	
C[C@@H]1CCCCN1C[C@@H]1CCCN(Cc2ccccc2O)C1	179564242	MVNYOMITPIQXIU-IAGOWNOFSA-N	302.462	3.479	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@](C)(O)c2ccco2)cc1F	174529868	CSLYZFKEKAOZAW-GOSISDBHSA-N	320.408	3.262	10	20	DGCD	
Cc1cccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c1O	180629267	OOXJPGUYLWUZIK-SFHVURJKSA-N	319.445	3.251	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)c(O)c1O	182603765	GKIPOEFVBHUCIO-UHFFFAOYSA-N	316.332	3.372	10	20	DGCD	
C[C@@H](c1ccco1)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	180697055	LEINHWGRHSUBDQ-LHXVZLOVSA-N	313.353	3.456	10	20	DGCD	
C[C@@H](NC1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1O	185291714	GZCLXPIGDLUXTR-SNVBAGLBSA-N	320.330	3.209	10	20	DGCD	
COc1cccc2c1OC[C@@H](N[C@@H](C)c1cc(C)ccc1O)C2	185334423	VJKVZGUUPHSAMH-ZFWWWQNUSA-N	313.397	3.364	10	20	DGCD	
Cc1ccccc1Cc1noc(CN(C)Cc2ccccc2O)n1	79433203	ODRARHDEGXHXCJ-UHFFFAOYSA-N	323.396	3.306	10	20	DGCD	
CC(C)NCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	320209655	JDTKFCFFWKUWEJ-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
COCCN(Cc1ncccc1C)c1ccc(OC)c(OC)c1	93193956	JDXPGCUBXSUIKE-UHFFFAOYSA-N	316.401	3.060	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCC2(CCO2)CC1	368520681	XNSJHQFUVWUHJJ-UHFFFAOYSA-N	302.201	3.454	10	20	DGCD	
CC1(c2ccccc2)CC(NC(=O)/C=C/c2ccc(O)c(O)c2)C1	272396953	HIYLVSOKWAOBOJ-CSKARUKUSA-N	323.392	3.348	10	20	DGCD	
CCC[C@](C)(O)CN[C@H](C)c1cc(Br)ccc1O	273467138	DZMSIINDUJZIHX-YGRLFVJLSA-N	316.239	3.356	10	20	DGCD	
C[C@H](O)c1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	273379229	HUJWQENDLBJLKT-RYUDHWBXSA-N	316.357	3.205	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC12CCOCC2	374622871	UFHBLGLSZVYBPL-MRXNPFEDSA-N	317.429	3.338	10	20	DGCD	
CC[C@H](NCCCc1cnn(C)c1)c1cccc(Cl)c1O	287710357	ODSHBAZOIMMWIS-HNNXBMFYSA-N	307.825	3.453	10	20	DGCD	
COc1ccc([C@@H](CN(C)C)NCc2cc(C)ccc2O)cc1	284202036	ZASZOBZNYLWLMX-GOSISDBHSA-N	314.429	3.102	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCC2(C(N)=O)CCCC2)c1O	808695534	ITDJDTNLMFMTFW-NSHDSACASA-N	310.825	3.050	10	20	DGCD	
CC[C@@H](C1CCCC1)N1C(=O)CN(Cc2ccccc2O)C1=O	819169040	FXHLUVOHXBLHGI-HNNXBMFYSA-N	316.401	3.125	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCCN1)c1ccc(C(F)(F)F)cc1O	817953813	RSMBPXVOTJZVLA-WCQYABFASA-N	302.340	3.204	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1C[C@]2(CCCO2)[C@@H]1C1CC1	816666786	WFIYFMSUBICASA-JKSUJKDBSA-N	311.784	3.328	10	20	DGCD	
CC[C@H](NCc1cc(Cl)c(C)cc1O)[C@@H](O)C(F)(F)F	825390803	LJFRPISMHQSWLY-CMPLNLGQSA-N	311.731	3.145	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)c1ccccc1O	827946519	KTBLIRCFKYKFRB-RHSMWYFYSA-N	316.445	3.367	10	20	DGCD	
CCc1cc(NCc2ccc(Br)cc2O)n(C)n1	825435640	FVSFJLLDMOHOML-UHFFFAOYSA-N	310.195	3.063	10	20	DGCD	
Cc1cc(CN(C)[C@H](C)C[S@@](C)=O)ccc1N1CCCCC1	828785150	CLMKNTQHTFUVHB-OPAMFIHVSA-N	322.518	3.184	10	20	DGCD	
Cc1ccc(C(=O)NCCCSc2nccs2)c(O)c1	734358210	FGJFNSPRXOEYJF-UHFFFAOYSA-N	308.428	3.069	10	20	DGCD	
CC(C)(C)c1ccc(C(=O)NCc2ccc(O)cc2O)s1	910950008	ABPSMNPQHYYPLO-UHFFFAOYSA-N	305.399	3.387	10	20	DGCD	
Cc1cc(O)c(CNCc2nc3cc(F)ccc3n2C)cc1C	742372303	WGIKDFCHUAHBNF-UHFFFAOYSA-N	313.376	3.325	10	20	DGCD	
COc1cccc([C@H](C)NCCc2ccc3c[nH]nc3c2)c1O	846167397	JHYVZIBLZRDYIX-LBPRGKRZSA-N	311.385	3.170	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCc3ccccc3C2)cc1	844307723	SPJGVAPQBJHRLD-GOSISDBHSA-N	308.425	3.174	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CS[C@H](C)C1	840417348	IBPMHDXUQBOFIH-OCCSQVGLSA-N	308.447	3.208	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]([C@@H]3CCCNC3)C2)c(O)c1	843127922	UPWILJXLWVHZHM-HZPDHXFCSA-N	318.461	3.003	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCOCC3)c2C)c1	749324507	XOELGRSFSCHBFQ-UHFFFAOYSA-N	312.413	3.183	10	20	DGCD	
C[C@@H](CCCC(F)(F)F)NC(=O)NCCc1ccc(N)cc1	841886594	UGGVIVORMOWYCO-NSHDSACASA-N	317.355	3.232	10	20	DGCD	
C[C@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1c(O)cccc1F	927002616	WJWRTZXLQJEWAB-NWDGAFQWSA-N	324.396	3.191	10	20	DGCD	
CC[C@@H](C)[C@@H](O)CNCc1cc(OC)cc(C(C)(C)C)c1O	850134336	WMOWMVIIHKZRFR-WBMJQRKESA-N	309.450	3.195	10	20	DGCD	
CCN(C(=O)CN(C)c1ccc2c(c1)OCO2)C1CCCCC1	756654596	JDHSOJOYNFAXAG-UHFFFAOYSA-N	318.417	3.033	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COC(F)(F)F	930295695	HYLJIHRLSAKQNW-UHFFFAOYSA-N	318.339	3.026	10	20	DGCD	
CCOc1ccc(CN(C)[C@@H]2C[C@@H](OCC)C2(C)C)c(O)c1	769474882	SWQZKCDJXDMQJC-IAGOWNOFSA-N	307.434	3.426	10	20	DGCD	
CCOc1cccc(CCC(=O)NCc2cc(C)ccc2O)c1	862754445	YEHNTMQRGLTRCG-UHFFFAOYSA-N	313.397	3.348	10	20	DGCD	
COc1ccc2c(c1)N(Cc1cc(Cl)ccc1O)CCO2	765649749	BEPSUGRSSCIVMH-UHFFFAOYSA-N	305.761	3.453	10	20	DGCD	
COc1ccc(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1C	762619164	XQCFYZMQZJGLQL-BMFZPTHFSA-N	309.500	3.473	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)CCC(C)C)CC2)cc1	1116348504	YJDJEVLNLPSXJV-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@@H]1C[C@H](O)c1ccco1	770319736	BGCYEBNKSIWDPJ-CJNGLKHVSA-N	317.385	3.082	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCC[C@@H](C)C1)c1ccc(F)cc1O	1117140075	YXLVUPTVDQCHMP-CJNGLKHVSA-N	322.424	3.221	10	20	DGCD	
CCN(C)c1ccc(CN2CCCCC[C@@H]2C(=O)OC)cc1	773834914	VJROVEVRIJTQOH-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C3(F)CCCC3)CC2)cc1	772015840	KLGQLIJKEFTJLQ-UHFFFAOYSA-N	320.408	3.063	10	20	DGCD	
Cc1cc(C)c(/C=C/C(=O)NCc2ccc(O)c(O)c2)cc1C	778927727	UAIJIYLFUCHJIM-FNORWQNLSA-N	311.381	3.353	10	20	DGCD	
CCc1ccc(NC(=O)NCCCSc2nccs2)nc1	881207656	YLLPMKHXMYTWEK-UHFFFAOYSA-N	322.459	3.404	10	20	DGCD	
COc1cccc(CN[C@@H](C(C)C)[C@@H](O)c2ccccc2)c1O	788538474	MYRRTXIDIXTQMI-HKUYNNGSSA-N	315.413	3.249	10	20	DGCD	
CC(C)C(C)(C)CNCc1ccc(N2CCOCC2)c(F)c1	782535580	QPGIQPBUXLSAMR-UHFFFAOYSA-N	308.441	3.434	10	20	DGCD	
CC1(C)CCC(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	784247457	SYZMTCWXBYIKFD-UHFFFAOYSA-N	306.358	3.040	10	20	DGCD	
CCN(C(=O)c1cccc(O)c1O)[C@@H](C)c1ccc(F)cc1	790744276	AMAJXWUOSPAHDR-NSHDSACASA-N	303.333	3.460	10	20	DGCD	
COc1ccc(CNC(=O)CCc2ccc(Cl)cc2)c(O)c1	794390144	YOBWQPYTHNOMEO-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(CC)cc1	790411311	JVNDCABNVHVUAK-UHFFFAOYSA-N	321.398	3.154	10	20	DGCD	
COc1ccc(CNC(=O)c2cccc(F)c2Cl)c(O)c1	794391426	XEOWRLPKDVPZNW-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CCOC(=O)C[C@H]1CCCN1Cc1cc(Cl)cc(F)c1O	1320481829	ZVCWOZYZIUTMPT-GFCCVEGCSA-N	315.772	3.102	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@@H](F)C2)c1	1328144028	YOWXWVHFWQWICV-TUAOUCFPSA-N	310.369	3.042	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCC[C@H]1C[C@H]2CC[C@H]1O2	1330867709	PCTFOVASKHMPAI-QXAKKESOSA-N	300.446	3.334	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1cc(N(C)C)ccn1	1331995156	BNRCRKQYIVRKHD-BBRMVZONSA-N	311.429	3.500	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](NCc1ccc(N3CCCC3)cc1)C2	1251723986	GIXHGRKZFAGYEQ-SFHVURJKSA-N	322.456	3.032	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1	1353538863	DZHSKLSARKIXAE-KRWDZBQOSA-N	313.376	3.455	10	20	DGCD	
Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)cc(C(=O)O)c1	1600271725	RJGFRSFIJAYENO-LLVKDONJSA-N	314.341	3.282	10	20	DGCD	
Oc1c(CN(Cc2cnn[nH]2)C2CCCCC2)ccc(F)c1F	1578051444	MSQAZPYLRHFIQO-UHFFFAOYSA-N	322.359	3.123	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccc(/C=C\C(=O)O)cc2)SC1=S	1776874442	HYMBZLLBDSJWIU-JNWHFCKMSA-N	319.407	3.006	10	20	DGCD	
Cc1cccc(C)c1CNC(=O)NCc1ccc(N(C)C)cc1	152480805	LVRHEFZMBVDUCT-UHFFFAOYSA-N	311.429	3.369	10	20	DGCD	
Cc1ccc2c(c1)OCCN2C(=O)/C=C/c1cnc(C)s1	154669459	GXWWLGXEFJXITO-GQCTYLIASA-N	300.383	3.199	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCCN(CC(F)F)CC1	159637718	GMCMBSBXFXFMAI-UHFFFAOYSA-N	320.383	3.318	10	20	DGCD	
C[C@H]1C[C@@H](CNCc2c(O)cccc2Br)CCO1	706809590	GHXCIRFKJLWSKL-QWRGUYRKSA-N	314.223	3.059	10	20	DGCD	
Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c(C)c1	109772977	QABBIGRPQUTFIX-OAHLLOKOSA-N	312.413	3.468	10	20	DGCD	
C[C@@H](NCc1cc[nH]n1)c1ccc(N2CCCCC2)c(F)c1	177954810	CZKUFIQDXVKLSE-CYBMUJFWSA-N	302.397	3.390	10	20	DGCD	
CC(C)CC(=O)N1CCC(N[C@H](C)c2ccc(F)cc2O)CC1	185215002	JGVJGIDMNABFRN-CYBMUJFWSA-N	322.424	3.219	10	20	DGCD	
COc1cc(CN(C)Cc2cc(C)c(C)cc2O)ccc1O	125964371	IZWVLMWBWKEKMG-UHFFFAOYSA-N	301.386	3.355	10	20	DGCD	
CC(C)C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	181193269	ZNJAPRMTMOGTQX-VFADXPBXSA-N	303.402	3.396	10	20	DGCD	
COc1ccc(N(C)CC(=O)NCc2ccccc2)cc1Cl	121925747	FZPRTRYSXGDFEA-UHFFFAOYSA-N	318.804	3.101	10	20	DGCD	
CCOC(=O)COc1ccc(NCc2cc(C)ccc2O)cc1	183917285	DCRKKMMTOSKLCR-UHFFFAOYSA-N	315.369	3.255	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCCN(C(C)C)C2)c1	185358111	VRNFCQFVBSHSEP-LSDHHAIUSA-N	306.450	3.172	10	20	DGCD	
O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3F)[nH]2)s1	195507571	RZRPLOXGONWDHJ-UHFFFAOYSA-N	323.334	3.127	10	20	DGCD	
C[C@H](N[C@@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1O	192650591	APWVOUJQMONQJU-QPUJVOFHSA-N	317.216	3.018	10	20	DGCD	
O=S(=O)(c1ccc(CSc2nccs2)cc1)C(F)F	133230319	TXRSRFKRTXHUOT-UHFFFAOYSA-N	321.395	3.432	10	20	DGCD	
CN(CCC(F)(F)F)Cc1ccc(N2CCOCC2)c(F)c1	92478903	PLEUDMAXFQYOGA-UHFFFAOYSA-N	320.330	3.047	10	20	DGCD	
COc1ccc(O)c(CNC[C@@]2(N(C)C)CCC[C@@H](C)C2)c1	237204510	SIHNIWUFIYAEQH-RDTXWAMCSA-N	306.450	3.001	10	20	DGCD	
COc1ccc(CN(C)Cc2cccc(OC)c2O)cc1C	92787124	BCKMRQKNADEUNB-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@H](O)c2ccc(C)o2)cc1	268997166	OBDBBVZWHVLOGP-PBHICJAKSA-N	302.418	3.428	10	20	DGCD	
COc1ccc(N2CCC(NC(C3CC3)C3CC3)CC2)cc1	363835151	XWVODSGHDHNQEY-UHFFFAOYSA-N	300.446	3.442	10	20	DGCD	
OC[C@@]1(NCc2c(O)ccc(Cl)c2F)CCc2ccccc21	365168245	ISMNAEJUJYGBJS-KRWDZBQOSA-N	321.779	3.108	10	20	DGCD	
CS[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	270127084	LOQBGDLQUILBFD-CYBMUJFWSA-N	306.475	3.385	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@H]2CCc3nccn3C2)cc1	279008856	SOVSGMZJQMXNPI-HZPDHXFCSA-N	312.461	3.252	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@@H](C)C1	283536147	GTGDNVUEUVRHAA-GOEBONIOSA-N	320.433	3.271	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCn1cccc1	283399098	FJKPOFJKCZYJMX-UHFFFAOYSA-N	315.417	3.206	10	20	DGCD	
OC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1	293856712	BXBBLMOKRGORBJ-JTQLQIEISA-N	304.217	3.293	10	20	DGCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC3)cc2Cl)C1	800719360	JXGWGAKNTPEZIM-CYBMUJFWSA-N	321.852	3.492	10	20	DGCD	
COc1cc(C)cc(CN2CCOc3cccc(F)c3C2)c1O	800855546	JUOOASBSJGRGPB-UHFFFAOYSA-N	317.360	3.243	10	20	DGCD	
COCc1nc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)cs1	810253658	ZONXRIMDJFNDKR-SKDRFNHKSA-N	322.405	3.472	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)c2ccnc(O)c2)ccc1OC	815148398	VHQUORIRJXCLLH-ZDUSSCGKSA-N	316.401	3.183	10	20	DGCD	
CC[C@H](O)CNCc1ccc2c(c1)CCN2Cc1ccccc1	813791203	YEULXNUDBNTFPQ-IBGZPJMESA-N	310.441	3.110	10	20	DGCD	
C[C@@H](N)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1	817997644	UCNDCBJKLXLTKY-CYBMUJFWSA-N	324.424	3.221	10	20	DGCD	
CCn1ncc(C)c1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	825155968	MSJSGGPCUXEFCQ-ZDUSSCGKSA-N	315.421	3.160	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C\c2cnc(C)s2)cc1OC	491872758	WXYVEHCXAKZZSK-VURMDHGXSA-N	318.398	3.145	10	20	DGCD	
C[C@@H](NCc1cc(N(C)C)ccn1)c1cc(Cl)ccc1O	903199085	SVZPOVNEODYEKT-LLVKDONJSA-N	305.809	3.357	10	20	DGCD	
O[C@@H](COc1ccc(N2CCCC2)cc1)Cc1ccc(F)cc1	834369632	XHMLNYBNRDAEDO-GOSISDBHSA-N	315.388	3.408	10	20	DGCD	
C[C@H](c1ccc(F)cc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	588403537	LZMUWIGFKXUZPG-GFSSTFBJSA-N	315.344	3.470	10	20	DGCD	
Nc1ccc(CC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc1	831998422	KTFGNWKMLSMVRZ-CYBMUJFWSA-N	316.351	3.106	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCc3cccc(O)c32)C(=O)N1c1ccccc1	834674006	ZRYXPKHPKLVGLQ-XYPHTWIQSA-N	322.408	3.163	10	20	DGCD	
COc1ccc(O[C@H](C)CN[C@@H]2CCc3cccc(O)c32)cc1	834606211	GGJZAUQNXZPYRR-CXAGYDPISA-N	313.397	3.445	10	20	DGCD	
CCS[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1	841855468	PBTJABCBSPOXRM-HZPDHXFCSA-N	321.490	3.175	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@H](SC)C2)c1	743680502	CHDUJBCNSBSAHM-LOWVWBTDSA-N	324.446	3.045	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCCC1(F)F	845236398	RCOHPJWGJSENHJ-JTQLQIEISA-N	318.751	3.280	10	20	DGCD	
CCCCOCCNC(=O)N(CC)Cc1ccc(N(C)C)cc1	743356726	QOFLSSBNNONDSO-UHFFFAOYSA-N	321.465	3.101	10	20	DGCD	
CCc1cccc(CNCc2cccnc2OC(C)C)c1O	848891364	PNAJAPKUHRWMRC-UHFFFAOYSA-N	300.402	3.427	10	20	DGCD	
C[C@@]12CCN(C(=O)Nc3ccc(N)cc3)C[C@@H]1C2(Cl)Cl	841299809	OOBSZPUYJBZUOH-WCQYABFASA-N	314.216	3.316	10	20	DGCD	
CC1(C)C[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2	743608366	ZZXXAFPHHQTHJF-CYBMUJFWSA-N	302.418	3.116	10	20	DGCD	
CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(N)cc1	841296004	MOBYWCOLOYISDW-KRWDZBQOSA-N	313.401	3.074	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1F	746811934	UQTDRCUYGOMGSE-UHFFFAOYSA-N	312.388	3.447	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H](OC3CCC3)C2)c(O)c1	848924975	JFGUJHPQPSLOTN-QGZVFWFLSA-N	305.418	3.324	10	20	DGCD	
Cc1ccc(C[C@H](CO)NCc2ccc(N(C)C)cc2C)cc1	840938923	JQNLTEBYIZMIGG-LJQANCHMSA-N	312.457	3.063	10	20	DGCD	
C[C@H](NCc1ccnc(N(C)C)n1)c1ccc2ccccc2c1O	756792121	YSLKGMFFSKLENP-ZDUSSCGKSA-N	322.412	3.252	10	20	DGCD	
COc1nc(C)cc(C)c1CN[C@H](C)c1ccc(F)cc1O	756536673	SMQGNLYOYXOMRU-GFCCVEGCSA-N	304.365	3.403	10	20	DGCD	
Cc1ccc([C@H](C)NCC2(N(C)C)Cc3ccccc3C2)c(O)c1	756596883	IFDWVKSPNJUDBL-INIZCTEOSA-N	324.468	3.450	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCCC2(F)F)c1	858500545	ISBYSTDDVIJOQF-CYBMUJFWSA-N	312.360	3.325	10	20	DGCD	
CC[C@@H](O)CNCc1ccc(N(C)Cc2cccs2)cc1	850373824	SBFAIQPAGYYXBM-MRXNPFEDSA-N	304.459	3.245	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCN2CCCCC2=O)cc1	765844361	FEVNIBHXYVOADQ-INIZCTEOSA-N	317.477	3.196	10	20	DGCD	
COc1cccc(O)c1CN1CCN(c2ccccc2C)CC1	768192896	VJHMEHNNUIGGKS-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
CCC(CC)[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	761197285	RJXRCLZATVVTSE-HNNXBMFYSA-N	318.461	3.416	10	20	DGCD	
CC[C@@H](NCc1cccc(C(N)=O)c1)c1cc(Cl)ccc1O	775487250	LJQZLKGXMLIUMG-OAHLLOKOSA-N	318.804	3.385	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2ccco2)s1	778925879	PMLZGISLYCQXFM-UHFFFAOYSA-N	315.350	3.349	10	20	DGCD	
C[C@@H](NCc1ccc2oc(=O)oc2c1)c1ccc(N(C)C)cc1	883092062	FCKPPMIHYTZIOS-GFCCVEGCSA-N	312.369	3.303	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)[C@@H]([C@@H](C)O)C1	785990110	ZAUGHONHFSDMJY-GPCCPHFNSA-N	301.789	3.166	10	20	DGCD	
CN(C)c1ccc([C@@H](CN[C@H]2CCc3cccnc32)N(C)C)cc1	898447961	NSTYPHIBJPUJMP-RBUKOAKNSA-N	324.472	3.027	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)Cc2ccc(O)cc2)c1O	894241071	GHQSRADARZVBBU-CYBMUJFWSA-N	301.386	3.136	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCc3ccncc3)sc2n1	787989649	XTTCZXYVIMHDNP-UHFFFAOYSA-N	313.382	3.247	10	20	DGCD	
COC1(CNC(=O)N(C)Cc2ccccc2O)CCCCCC1	898941899	JXSSLCYEYVYSSV-UHFFFAOYSA-N	320.433	3.273	10	20	DGCD	
CC1(C)C[C@@H](O)CCN(Cc2ccc(N3CCCC3)cc2)C1	1325131828	IVHFNIFKZFFWGV-SFHVURJKSA-N	302.462	3.270	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](N)C(C)(C)C	1341806929	XXCWAFCWIIKCKF-QGZVFWFLSA-N	319.493	3.253	10	20	DGCD	
COc1cc(F)cc(CN[C@H](C)c2cc(C(=O)O)ccc2O)c1	1610296105	LORMOVBEYGVFAK-SNVBAGLBSA-N	319.332	3.089	10	20	DGCD	
CC(C)(C)C[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)O	1589752464	XGAJONXBWGWPEN-LLVKDONJSA-N	303.761	3.164	10	20	DGCD	
CN(C)c1ccc(CN[C@H](C(=O)O)c2ccccc2Cl)cc1	1777040195	NHEMYXQXVXCFSF-INIZCTEOSA-N	318.804	3.322	10	20	DGCD	
CCc1noc(C)c1CN1CCOc2cc(N(C)C)ccc21	163191452	GBLWVYVGPBMCSK-UHFFFAOYSA-N	301.390	3.010	10	20	DGCD	
CCOC(=O)c1cnc(Sc2nc(CC)cs2)s1	394901049	NEADBYLIEPWETK-UHFFFAOYSA-N	300.430	3.490	10	20	DGCD	
O=C(CN1CCCc2cc(OC(F)F)ccc21)NC1CCCC1	55026206	SGVWDLPWFYEPCS-UHFFFAOYSA-N	324.371	3.099	10	20	DGCD	
C[C@@H]1CC[C@@H](CCC(=O)N(C)Cc2ccc(N(C)C)cc2)O1	175004107	PQEIRHKVPPEUPU-PBHICJAKSA-N	304.434	3.059	10	20	DGCD	
Oc1c(Br)cccc1CNC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	300631553	WUXBBKCTEDMZHP-RBJBARPLSA-N	308.219	3.289	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)CCc2ccccn2)c1O	126771643	LYXMHAFCFFPCRA-UHFFFAOYSA-N	318.804	3.318	10	20	DGCD	
CC[C@H](NC[C@H](O)c1ccc(OC)cc1)c1ccccc1O	121091327	GVVDJHLHXZTNDB-WMZOPIPTSA-N	301.386	3.175	10	20	DGCD	
C[C@H](c1ccco1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	125333772	GJQOCGUYXGQVOI-GFCCVEGCSA-N	319.380	3.387	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1cc(Cl)nc(C2CC2)n1	183598158	YDQVFTLOTXKGEZ-SECBINFHSA-N	319.792	3.462	10	20	DGCD	
CCCCCN1CC(=O)N[C@@H]1c1ccc(N2CCCCC2)cc1	182324568	IEPTZZKPLRLXNO-IBGZPJMESA-N	315.461	3.298	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC1Cc2ccccc2C1	186707812	XHVBVFOITJRYGQ-UHFFFAOYSA-N	323.440	3.061	10	20	DGCD	
C[C@@H](NCCc1ccccn1)c1ccc(Br)cc1O	184839432	ONYGOPXPSQWXRD-LLVKDONJSA-N	321.218	3.443	10	20	DGCD	
CCCC(CCC)C(=O)NCc1ccc(N2CCOCC2)cc1	124919354	JLWOHXDCJHHEQM-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)c2ccc(C)cc2)c1	182324598	VUIBCCZHEGMWLE-SCLBCKFNSA-N	301.386	3.093	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(F)c1C#N	187521539	ROIOLHUYEIBZIZ-UHFFFAOYSA-N	311.360	3.036	10	20	DGCD	
Cc1ccccc1C[C@H](C)NC(=O)N(C)Cc1ccccc1O	193393461	KMSVAQWCHBUJHT-HNNXBMFYSA-N	312.413	3.473	10	20	DGCD	
Cc1cc(O)c(CN(CCO)[C@@H]2CCc3ccccc32)cc1C	93387706	DUXFGENRJFZPHA-LJQANCHMSA-N	311.425	3.491	10	20	DGCD	
CCOC[C@@H](O)CN(Cc1cccs1)c1ccc(OC)cc1	269738491	WNENXDCGACPOFE-HNNXBMFYSA-N	321.442	3.161	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)sn1	277987831	OFIDVQZANUXUKJ-UHFFFAOYSA-N	303.431	3.180	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1C	278308860	DZCURHBOQYNGRC-WFASDCNBSA-N	317.351	3.144	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCC[C@@H](C)O	279212456	WXERVCZSBVPRLO-CYBMUJFWSA-N	306.431	3.046	10	20	DGCD	
CCOCc1cc(CNCC2([C@H](O)C(C)C)CC2)ccc1OC	272107437	WYZDLMKFEALJTH-GOSISDBHSA-N	321.461	3.118	10	20	DGCD	
COc1ccc2c(c1)C[C@H](NCc1cccc(OC)c1O)CC2	289481586	QOLYAUBGMNCEDF-MRXNPFEDSA-N	313.397	3.057	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@H]2CCC(=O)[C@H]2C)cc1	280037489	WKPSXTBOQSDYBB-GOEBONIOSA-N	316.445	3.154	10	20	DGCD	
Cc1cc(CCNCc2cc3c(cc2O)OCO3)ccc1Cl	812772923	NDFHOLCCJDJIGT-UHFFFAOYSA-N	319.788	3.415	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc1	818656785	YQFJOYCHZHLGIH-DOTOQJQBSA-N	301.434	3.079	10	20	DGCD	
CC[C@H](N[C@@H](C)C1(OC)CCOCC1)c1ccc(C)cc1O	817587289	DKVOSHCBOAAZSB-HOCLYGCPSA-N	307.434	3.325	10	20	DGCD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(Cc1cc(Cl)c(F)cc1O)C[C@@H]3C2	816608397	YNLJMRAVXWAFQH-KIOOUHFPSA-N	311.784	3.040	10	20	DGCD	
Cc1cc(O)c(CNC[C@](C)(O)c2cccs2)cc1Cl	825291758	PLGVHWJDSWLVHZ-HNNXBMFYSA-N	311.834	3.413	10	20	DGCD	
Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc1	826530381	FKCVXLUOHLKAHJ-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
Cc1ccccc1C1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1	588404314	KUTYCGKBOHPEIF-CLFYSBASSA-N	323.392	3.267	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](O)CNCc1cc(Cl)c(F)cc1O	827733818	OZWKTSNCRWWWPW-PIGZYNQJSA-N	323.795	3.439	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H]2CN2CCCCC2)cc1C	738097936	HCIKMOLDSJMLET-SFHVURJKSA-N	302.462	3.459	10	20	DGCD	
Cc1cnc(CCN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)cn1	834908688	LGYCYWDQSMMROV-HZMBPMFUSA-N	301.365	3.010	10	20	DGCD	
CCc1cccc(CN2CC[C@](O)(c3ccc(F)cc3)C2)c1O	848900914	QUDAEGAXVHTCJF-LJQANCHMSA-N	315.388	3.187	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)CC(F)(F)F)c1	840870837	AHHDFHRTRWRMGR-VHSXEESVSA-N	319.323	3.418	10	20	DGCD	
Nc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1	841300169	PNXWONUXMOCELW-UHFFFAOYSA-N	311.385	3.175	10	20	DGCD	
COCC[C@H](Cc1cccc(F)c1)NCCc1ccc(N)cc1	841035901	PYEWFEJRXDJWCE-LJQANCHMSA-N	316.420	3.188	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@](C)(O)c2ccsc2)c1O	846142607	BAHWJDHAXNBAMR-MEDUHNTESA-N	307.415	3.021	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2CCCc3nc(C)ncc32)c1O	846146924	SWYNDLIWUMWJJY-XHDPSFHLSA-N	313.401	3.227	10	20	DGCD	
C[C@H](C[C@@H](O)c1ccco1)NCc1ccc2c(c1)CCCO2	921947562	RLFLUIPGXOYHTP-CZUORRHYSA-N	301.386	3.206	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](OC)C2CCCC2)c1	850563609	ZIRCBTFFHKTVNL-YVEFUNNKSA-N	321.417	3.035	10	20	DGCD	
Cc1ccc(O)c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n1	753470366	OGSGBVDLCYVYES-UHFFFAOYSA-N	322.368	3.150	10	20	DGCD	
CN(C)c1cc(F)c(CNCCCOC(C)(C)C)cc1F	858189370	LDVSXCRPDIUBID-UHFFFAOYSA-N	300.393	3.326	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H]2CCCN2CC(F)(F)F)c(O)c1	926922774	SFDWUDLWGSODCC-CHWSQXEVSA-N	316.367	3.378	10	20	DGCD	
CC[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)O1	756906772	ASJAYFGGDVLABB-MSOLQXFVSA-N	318.461	3.449	10	20	DGCD	
CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1(C)C	753639993	FQNAUTMKTZBKQV-MRRJBJDNSA-N	317.429	3.383	10	20	DGCD	
CC[C@@H](O)CCCNCc1cc(OC)cc(C(C)(C)C)c1O	850157616	SMDQZGIHPPPXEH-CQSZACIVSA-N	309.450	3.339	10	20	DGCD	
CCC[C@H](NC(=O)CN(C)c1ccc(N)cc1)c1ccccc1	863557083	HNYGZSKBXINCSV-SFHVURJKSA-N	311.429	3.363	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@@H]1O)c1ccc(C(F)(F)F)cc1O	866489500	PNDUHFGESSQNRU-AVGNSLFASA-N	303.324	3.365	10	20	DGCD	
CCC(=O)N1CCC[C@H]([C@@H](C)NCc2ccc(OC)c(C)c2)C1	1036321606	CTRBYAHGYISEFU-WBVHZDCISA-N	318.461	3.130	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(CCc3cccs3)CC2)c1	768358421	UPLLGRFIZNETJS-UHFFFAOYSA-N	316.470	3.122	10	20	DGCD	
Cc1ccc(CNC[C@H](O)c2cccc(OC(C)C)c2)c(O)c1	877034978	AJRXQYHYQFLFRD-IBGZPJMESA-N	315.413	3.311	10	20	DGCD	
Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3ccc(C)cc3O)n2)c1	877482613	KJAVBGOMDVFEOI-CYBMUJFWSA-N	323.400	3.040	10	20	DGCD	
CC[C@H](CSC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773440875	GZXGVGKTNFNZGJ-TZMCWYRMSA-N	309.479	3.254	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H](c1ccco1)N1CCCC1	876887586	BHPIELGYUXGCEL-INIZCTEOSA-N	300.402	3.220	10	20	DGCD	
CC[C@@H]1C[C@H](C)CN1c1nnc(-c2sccc2O)n1CC	1121668418	AUJLZRJYSDRHGI-WDEREUQCSA-N	306.435	3.357	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1CCc2c(Cl)cccc21	775779555	BKNATYZUWJHZEW-CQSZACIVSA-N	301.773	3.392	10	20	DGCD	
Cc1cc(O)c(CN2CCC(C(=O)OC(C)C)CC2)cc1C	884476251	JNRBKJBTXXHHOZ-UHFFFAOYSA-N	305.418	3.173	10	20	DGCD	
CCOc1ccc(CN2CCC([C@H]3CCCO3)CC2)c(O)c1	784665371	UWXKJTAEBURHHU-GOSISDBHSA-N	305.418	3.182	10	20	DGCD	
CS[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1	894881254	UUHUACSHTXIOPN-JTQLQIEISA-N	320.227	3.231	10	20	DGCD	
Cc1ccc([C@H]2COCCN2Cc2cc(F)cc(F)c2O)o1	894032479	KBVBDRSRHBNIBS-CQSZACIVSA-N	309.312	3.145	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN1CC[C@@H]2C[C@H]2C1	895326976	KEJNBFQDHPLODY-BDAKNGLRSA-N	300.171	3.136	10	20	DGCD	
COc1cc(Br)cc(CNC/C=C/Cl)c1O	898435582	JMFBVRYWOSWKJZ-NSCUHMNNSA-N	306.587	3.005	10	20	DGCD	
Oc1ccccc1CNc1cc(F)c(N2CCOCC2)cc1F	796528913	JYUCKXZBHILMHY-UHFFFAOYSA-N	320.339	3.119	10	20	DGCD	
c1ccc(CN2CC[C@H](CNCc3ccc4c(c3)CCO4)C2)cc1	192932243	FCPIPKLZFHMWEW-LJQANCHMSA-N	322.452	3.233	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1	794793957	CUMZSVCPGHEDTO-SFHVURJKSA-N	312.461	3.434	10	20	DGCD	
COCCC1(CNCc2ccc(OC)c(OC)c2O)CCCC1	1262362934	GGZPBYVZCOZOAI-UHFFFAOYSA-N	323.433	3.096	10	20	DGCD	
CC[C@H]1C[C@@H](CC(=O)Nc2c(Cl)ccc3nonc23)CCO1	1346941739	YAWVNLYWUKKEQD-UWVGGRQHSA-N	323.780	3.410	10	20	DGCD	
O=C(O)c1ccc([N+](=O)[O-])c(NCc2cccc(Cl)c2O)c1	1602405974	ZIKVPGLUUJSFLY-UHFFFAOYSA-N	322.704	3.264	10	20	DGCD	
CS[C@@H]1CCC[C@@H](N[C@H](C)c2cc(C(=O)O)ccc2O)C1	1607391351	JZJDYAGZVOEHSL-RAIGVLPGSA-N	309.431	3.415	10	20	DGCD	
CC(C)N(CCCN[C@@H](C)c1cc(C(=O)O)ccc1O)C(C)C	1593264357	IECBZMSTIVOMFW-AWEZNQCLSA-N	322.449	3.250	10	20	DGCD	
Cc1ccc(NC(=O)NCCCSc2nccs2)cn1	162049459	IVHZINZTUQGVJN-UHFFFAOYSA-N	308.432	3.150	10	20	DGCD	
Oc1c(Br)cccc1CN[C@@H]1CCc2cccnc21	894571593	SUFKUNYXNSTMPS-CYBMUJFWSA-N	319.202	3.327	10	20	DGCD	
COc1cccc(CNCc2cccc(Br)c2)c1O	48817679	KFBXDPWBRVONLA-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
C[C@H](O)CCCNCc1cc(Cl)cc(Br)c1O	708098274	GQEBMYXNWRVPSS-QMMMGPOBSA-N	322.630	3.059	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H]2CCCSC2)c1O	384084580	APYLIBMWTFSAEP-SNVBAGLBSA-N	301.839	3.287	10	20	DGCD	
C[C@H](N[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1O	186789406	GWUJUYTWSHUPNN-ZWKOPEQDSA-N	314.223	3.109	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)c2ccccc2Cl)c1	305779199	RKIGPVSGZJLSCR-APPDUMDISA-N	321.804	3.438	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1ccc(SC(F)F)cc1	180425745	YUVDDGIZXURKAY-VMPITWQZSA-N	303.380	3.490	10	20	DGCD	
CN(Cc1ccccc1O)c1ccc2ncccc2c1[N+](=O)[O-]	301891655	VBZVWBBRHFJCPL-UHFFFAOYSA-N	309.325	3.485	10	20	DGCD	
CC[C@@H](CSC)NC(=O)NCc1ccc2c(c1)CCCN2C	181449301	UFODAYOMUAARAM-HNNXBMFYSA-N	321.490	3.010	10	20	DGCD	
CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1O	189410800	LCSPVNVMRFMKGY-RKDXNWHRSA-N	319.232	3.216	10	20	DGCD	
CO[C@H](CC(C)C)C(=O)NCc1c(C)c2ccccc2n1C	415556664	GWLNJBVOLDCHSD-QGZVFWFLSA-N	302.418	3.164	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@@H](C)c1cc(Cl)ccc1O	185670708	ICXQCLCCOJIFPD-GXTWGEPZSA-N	314.857	3.053	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2ccccc2C1	181052227	YBGACJDBCBZJKB-CSKARUKUSA-N	309.365	3.086	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC(C1CC1)C1CC1	48444994	RCHOPNIMVLWZBQ-UHFFFAOYSA-N	313.445	3.275	10	20	DGCD	
CC[C@@H](NCc1cc[nH]n1)c1cc(Br)ccc1O	41014220	XSMTVYCILCFKGP-GFCCVEGCSA-N	310.195	3.119	10	20	DGCD	
Cc1ccc(O)c(CN2CCO[C@]3(CCc4ccccc43)C2)c1	93638359	SFHKFGHQSDLPBZ-HXUWFJFHSA-N	309.409	3.375	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccsc3)CC2)cc1F	91923693	MMFCVPCBBVOSGZ-UHFFFAOYSA-N	306.406	3.218	10	20	DGCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1	268716625	IUYOVVOHGCPEIQ-HOTGVXAUSA-N	317.477	3.242	10	20	DGCD	
Cc1c(CNC(=O)N(C)Cc2ccccn2)n(C)c2ccccc12	350091184	KECBHVDELZFRLF-UHFFFAOYSA-N	322.412	3.223	10	20	DGCD	
O=C1/C(=C\c2ccccn2)SC(=S)N1C(C1CC1)C1CC1	265304718	OZKGQZYUVQPXIV-UKTHLTGXSA-N	316.451	3.471	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCSCc1ccccn1	269156123	QMSOOUZIGLIGLB-UHFFFAOYSA-N	316.426	3.069	10	20	DGCD	
Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@@H](C)c3ccccc3O)n2)c1	279416886	FJOFVZLTFRKAJM-QWHCGFSZSA-N	323.400	3.293	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(C2CC2)cnc1Cl	279711700	ATKOSAMLIITOHY-UHFFFAOYSA-N	302.761	3.248	10	20	DGCD	
Cc1cc(C(=O)N2CC[C@H](O)C[C@@H]2C)c(C)n1-c1ccccc1	294021474	YZYKUEIENFNVDF-GUYCJALGSA-N	312.413	3.080	10	20	DGCD	
Cc1cncc(CCC(=O)NCc2ccc3c(c2)CCCN3C)c1	292288961	YSSVCYZJWJXXDU-UHFFFAOYSA-N	323.440	3.021	10	20	DGCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccsc1	804242130	CFDSXRGNHIUANH-UHFFFAOYSA-N	322.773	3.076	10	20	DGCD	
COc1cccc(O)c1CNc1cc(NC(C)=O)ccc1C	802640465	OBLPMOPXIYSCJX-UHFFFAOYSA-N	300.358	3.280	10	20	DGCD	
CCC[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccccn1	817944101	XHEUYSWYRCETRA-ZWKOTPCHSA-N	312.461	3.278	10	20	DGCD	
C[C@@H](NCC(F)(F)CN)c1ccc(N2CCCCC2)c(F)c1	817966360	MCWLYIOQSFCQJB-GFCCVEGCSA-N	315.383	3.061	10	20	DGCD	
CC[C@@H](NCc1ccc(CCN)cc1)c1ccc(F)cc1O	817949704	SIKHYMIJBZFTEU-QGZVFWFLSA-N	302.393	3.273	10	20	DGCD	
COC[C@H](NCCc1ccc(N)cc1)c1ccc(F)c(F)c1	817957740	OZGDRSIHQGSUGP-KRWDZBQOSA-N	306.356	3.067	10	20	DGCD	
C[C@H](N[C@@H]1CCCC[C@H]1N)c1cccc(C(F)(F)F)c1O	818616051	SVJOUVFLSYWSJL-ZWKOPEQDSA-N	302.340	3.332	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1C[C@@]2(CCCO2)[C@H]1C1CC1	816666783	WFIYFMSUBICASA-CVEARBPZSA-N	311.784	3.328	10	20	DGCD	
COc1cccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	728938969	SPMNATGZGCJYHL-NSHDSACASA-N	316.357	3.292	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1cscn1	822898079	HYYLJTAOAPYZNQ-UHFFFAOYSA-N	317.458	3.189	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCCC(=O)C2CC2)cc1	822596300	RKUPEOIHEYUJCI-UHFFFAOYSA-N	316.445	3.298	10	20	DGCD	
c1cc([C@@H]2C[C@@H](NCc3ccc4c(c3)CCO4)CCO2)ccn1	824948266	QBORXCSUZYSEEH-HKUYNNGSSA-N	310.397	3.026	10	20	DGCD	
COc1ccc(O)c(CN[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1	839192784	TUJZQTCYVGOGHR-HZPDHXFCSA-N	307.434	3.473	10	20	DGCD	
CCc1cccc(CNC(C)(C)C(=O)Nc2ccccc2)c1O	848895575	NVWOZIMPSPUBIB-UHFFFAOYSA-N	312.413	3.462	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cnnc(O)c1Cl	840385540	ZUSUAZQBBYSQLD-LLVKDONJSA-N	320.824	3.253	10	20	DGCD	
CC[C@@H](CNC(=O)NCc1ccccc1O)CC(F)(F)F	840277054	QIVRWQLYUQLISA-SNVBAGLBSA-N	304.312	3.170	10	20	DGCD	
CCc1cccc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)c1O	848896147	TUGAKVYBYWYZME-CYBMUJFWSA-N	324.424	3.324	10	20	DGCD	
CS[C@H](C)CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840334441	NHYVXGIZNXBWEW-UONOGXRCSA-N	323.506	3.043	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cn1cc(Cl)cn1	921186926	VHUHBKICPIYATD-UHFFFAOYSA-N	306.841	3.471	10	20	DGCD	
COc1cc(CNCC2(O)CCCCC2)c(O)c(C(C)(C)C)c1	850102142	DZQSIYCMDIOZJK-UHFFFAOYSA-N	321.461	3.483	10	20	DGCD	
C[C@H](N[C@@H](C)C1(Cl)CC1)c1ccc(N2CCOCC2)cc1	924795902	RDUILZQAIBIJGY-KBPBESRZSA-N	308.853	3.334	10	20	DGCD	
CCn1nc(C)c(CNCc2cc(F)c(N(C)C)cc2F)c1C	858124797	PWVPGEWQCALWME-UHFFFAOYSA-N	322.403	3.154	10	20	DGCD	
C[C@@H](NCc1cccc2c1OCCO2)c1cc(F)cc(F)c1O	756703098	FINVJJVOCOHRLK-SNVBAGLBSA-N	321.323	3.292	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@H](C)c1cc(F)cc(F)c1O	756768194	BCUUXFKPHZWBEZ-SNVBAGLBSA-N	323.387	3.380	10	20	DGCD	
Cc1cc(O)c(CN[C@H](CO)c2ccc(F)cc2F)cc1C	850410031	DVAULLJQQBZOGC-MRXNPFEDSA-N	307.340	3.110	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@@H](C)c2cc(F)cc(F)c2O)cc1	756381544	MSIXEYXREKCAQW-QFYYESIMSA-N	323.339	3.063	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)OCCC(C)C)CC2)cc1	858934724	YKEREQHMLOVVQO-UHFFFAOYSA-N	320.433	3.436	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)c2cccc(O)c2)c1	934941017	VDGQBASLCOBBCW-NEPJUHHUSA-N	315.369	3.087	10	20	DGCD	
CN(C)c1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1	769478443	DBILOLXFSVPLOB-UHFFFAOYSA-N	306.413	3.228	10	20	DGCD	
CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc2ccccc2c1O	760886941	OZHBLXJQCHXTLI-MORSLUCNSA-N	315.413	3.390	10	20	DGCD	
CN1CCN(Cc2cc(Cl)ccc2O)Cc2ccccc21	769320129	IYBSZFBSLVWVGP-UHFFFAOYSA-N	302.805	3.498	10	20	DGCD	
O=C(O)c1cc(/C=C\c2ccc(N3CCCCC3)cc2)ncn1	761205120	MOCVYERETNPZTD-DAXSKMNVSA-N	309.369	3.336	10	20	DGCD	
Cc1ccc(CN(C)CC(=O)Nc2cccc(C)c2C)c(O)c1	876539027	RUPSOFZXXLKUHJ-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
Cc1cccc(O)c1CN1CCC(C(=O)C(F)(F)F)CC1	877420580	XRBDTCWSGUBSLD-UHFFFAOYSA-N	301.308	3.044	10	20	DGCD	
CC(C)CCOCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773242167	BCKHDAZUQCHZGV-OAHLLOKOSA-N	321.465	3.176	10	20	DGCD	
CCc1nc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)s1	779308953	GIQZECVYISDYOU-ALCCZGGFSA-N	304.371	3.077	10	20	DGCD	
CC(C)[C@H](CN[C@@H](C)c1cc(F)ccc1O)c1ccnn1C	788257570	AHHXEVZGESLKGL-WFASDCNBSA-N	305.397	3.355	10	20	DGCD	
CC[C@@H](NCc1ncnn1-c1ccccc1)c1ccccc1O	786937941	DBCUQZKOEVCYOP-MRXNPFEDSA-N	308.385	3.214	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[C@@H](C)C2)c1	793274332	SRRLLBILXMVIEZ-AGIUHOORSA-N	306.406	3.197	10	20	DGCD	
COc1ccc(CN[C@@H]2CCC[C@H](SC)C2)c(O)c1OC	892949701	CANFCBCAKYTBBK-OLZOCXBDSA-N	311.447	3.173	10	20	DGCD	
COc1ccc(NC(=O)NCc2ccc(OC)cc2O)c(C)c1	797622425	VEJXCVBBMWODSC-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
CO[C@@](C)(CNCc1c(O)cccc1Br)C1CC1	706885017	OFQQIVYYQMKHTH-AWEZNQCLSA-N	314.223	3.059	10	20	DGCD	
CC[C@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	796318286	AHHXCGOWOHJBJS-WCQYABFASA-N	306.358	3.040	10	20	DGCD	
COc1cccc(O)c1CNCc1c(F)cc(F)c(F)c1F	797468681	OTGQEPZPOCEGDB-UHFFFAOYSA-N	315.266	3.247	10	20	DGCD	
CCOC1CC2(CCN(Cc3cc(C)cc(OC)c3O)C2)C1	795720081	IPGPYIDAWGQTRU-UHFFFAOYSA-N	305.418	3.100	10	20	DGCD	
CCS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1	1336847790	HWAQAYZFRDCRIH-LSDHHAIUSA-N	307.463	3.132	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CC[C@H](C(C)(C)C)C1	1519506867	MGDLNFYKHRNQTB-JTQLQIEISA-N	306.435	3.122	10	20	DGCD	
C[C@@H](Cc1ccsc1)N[C@@H](C)c1cc(C(=O)O)ccc1O	1609750103	MCYZRWMVPGJAFK-QWRGUYRKSA-N	305.399	3.434	10	20	DGCD	
CN(CCOC1CCCCCC1)c1ccc(OCC(=O)O)cc1	1606134260	TVEJKOSDOUICOF-UHFFFAOYSA-N	321.417	3.326	10	20	DGCD	
C[C@@]1(NCc2c(O)ccc(Cl)c2F)CCCC[C@@H]1C(=O)O	1594059983	IUQZAIGSKXSYIL-MEBBXXQBSA-N	315.772	3.308	10	20	DGCD	
CCOc1cccc(CN2CCc3cc(C(=O)O)ccc32)c1O	1597154811	CJHJGPYJTLVJQF-UHFFFAOYSA-N	313.353	3.052	10	20	DGCD	
Cc1ccc(C[C@@H](Sc2ncc([N+](=O)[O-])s2)C(=O)O)cc1	1777437543	QMEKSHKLMQVPKK-SNVBAGLBSA-N	324.383	3.148	10	20	DGCD	
CN1C(=O)/C(=C/c2ccc(OC(F)F)c(F)c2)SC1=S	162508066	XPYBXPLGIRIEBI-UITAMQMPSA-N	319.329	3.258	10	20	DGCD	
COCCOCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	153993891	KNNCVRNZNMJFBI-HNNXBMFYSA-N	324.440	3.130	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCCn1cccc1	156337580	JXTLKRJPFHBJSJ-UHFFFAOYSA-N	300.402	3.413	10	20	DGCD	
COC[C@@]1(C)CCN(Cc2cccc(Br)c2O)C1	381392518	SJTNWUJTXMMHGI-AWEZNQCLSA-N	314.223	3.013	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(C)c(Cl)c2)c1O	105649679	QHWLXEWVSNHRIH-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)OCCO2)c1cc(F)ccc1O	176981018	JMXKRMGSFOECBI-LLVKDONJSA-N	303.333	3.153	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1	67731829	LTDJXKRQGQMDIB-JKSUJKDBSA-N	314.360	3.229	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2ccc(F)c(F)c2)cc1F	121805014	KAYSJIHKHKTMGO-UHFFFAOYSA-N	324.302	3.187	10	20	DGCD	
CC[C@@H](COC)N[C@@H](C)c1ccc(Br)cc1O	185504230	AJPYKYHAMYWIOL-ONGXEEELSA-N	302.212	3.230	10	20	DGCD	
CC[C@H](CSC)NC(=O)NCc1ccc2c(c1)CCCN2C	181449320	UFODAYOMUAARAM-OAHLLOKOSA-N	321.490	3.010	10	20	DGCD	
Cc1cc(C)c2c(c1)CN(C(=O)c1ccc(C)c(O)c1O)CC2	189245340	IAWXGITVUTZJIP-UHFFFAOYSA-N	311.381	3.222	10	20	DGCD	
CCOc1cccc(CNc2ccc(OCCOC)cc2)c1O	122466673	YBNDPPQZBRDDGD-UHFFFAOYSA-N	317.385	3.428	10	20	DGCD	
C[C@H](N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccccc1O	183613107	YAPIDBDMKVXHEM-KEYYUXOJSA-N	310.397	3.237	10	20	DGCD	
CCOc1ccccc1NC[C@H](O)COc1ccccc1F	314442696	BZSFNMWBJBZORT-ZDUSSCGKSA-N	305.349	3.076	10	20	DGCD	
CC(C)[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCS1	93869195	OKZDYJALWNHTNW-SFHVURJKSA-N	320.502	3.097	10	20	DGCD	
COC[C@H](O)CCN[C@H](C)c1ccc(N2CCCCCC2)cc1	90952809	UYIANTVNUQJWTQ-VQIMIIECSA-N	320.477	3.115	10	20	DGCD	
Nc1ccc(CC(=O)N(CCC(F)(F)F)CC2CC2)cc1	238109934	LLTDDLJSTHAUKE-UHFFFAOYSA-N	300.324	3.002	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2Cc3ccccc3NC2=O)c(O)c1C	528001398	PWUOJJHLIJFDGB-CXAGYDPISA-N	310.397	3.223	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCSc2ccccc21	255552190	LXMXEBBQHCSIRR-WAYWQWQTSA-N	300.358	3.373	10	20	DGCD	
C[C@H](NC[C@H](O)c1ccccc1F)c1ccc(N(C)C)cc1	268767387	CLSCURWQLZSVMA-UGSOOPFHSA-N	302.393	3.276	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1	269029837	RXXPZEXEFPNKIJ-IIDMSEBBSA-N	322.518	3.440	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCOC(C)C	273114860	LRVHKIDWPBXXKA-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc(Br)cc1O)c1cnn(C)c1	273563776	IUCJTWOJHGFIKU-NXEZZACHSA-N	324.222	3.300	10	20	DGCD	
C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(F)ccc1O	273465849	IUJOVISOBYFWLL-OTYXRUKQSA-N	311.303	3.194	10	20	DGCD	
C[C@H](NC[C@H]1OCCc2ccccc21)c1cc(F)ccc1O	371869750	KEVJZJSOSWXRIO-KPZWWZAWSA-N	301.361	3.496	10	20	DGCD	
CCC[C@@]1(CO)CCN(Cc2c(O)ccc(Cl)c2F)C1	377836110	YYZRVNIYOSHZOQ-OAHLLOKOSA-N	301.789	3.169	10	20	DGCD	
CC[C@@H](NC1CCN(CC2CC2)CC1)c1ccc(F)cc1O	286342029	YIYFAZODUJSCAP-QGZVFWFLSA-N	306.425	3.446	10	20	DGCD	
COc1ccc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1C	290172454	MXUQLXKACSUZIE-FDCMFXBMSA-N	301.430	3.177	10	20	DGCD	
CCn1cccc(CN[C@H](C)c2cc(Cl)cc(C)c2O)c1=O	808716394	NGIQXQAWEWBAQM-GFCCVEGCSA-N	320.820	3.386	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1ccc3c(c1)OCCCO3)CC2	297916298	WWRQAXRTAFUEHV-HNNXBMFYSA-N	311.381	3.331	10	20	DGCD	
CC1(C)CC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2	806018582	HBGTZVWCVDKBSC-INIZCTEOSA-N	302.418	3.259	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@H](N)c2ccccc2)c2c(O)ccc(F)c21	817954045	AQXNPEUONVZDKW-BYCMXARLSA-N	300.377	3.369	10	20	DGCD	
COCc1ccccc1/C=C(C)/C=C1/SC(=S)NC1=O	814187093	ZENAKCQFFHKOAB-OOHIBURESA-N	305.424	3.268	10	20	DGCD	
C[C@@H](NC1COC(C)(C)OC1)c1cccc(C(F)(F)F)c1O	815616763	XNILIYRSQQSMEW-SECBINFHSA-N	319.323	3.213	10	20	DGCD	
C[C@H](NC[C@H]1CCCNC1)c1cc(Cl)c(Cl)cc1O	817946573	ZWSKCESMLDWQRJ-UWVGGRQHSA-N	303.233	3.349	10	20	DGCD	
Cc1ccc(-c2n[nH]cc2CNCc2ccc3c(c2)CCO3)o1	725853826	XVAPFYFTSCZNKM-UHFFFAOYSA-N	309.369	3.203	10	20	DGCD	
COc1ccc(N(CCC(C)C)C[C@@H]2CCNC(=O)CC2)cc1	829352251	AQWDZRBAJZGXRV-INIZCTEOSA-N	318.461	3.464	10	20	DGCD	
C[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C	827663155	ZDHGPNGLHUOQAF-HNNXBMFYSA-N	304.478	3.420	10	20	DGCD	
COc1ccc(CNC[C@@]2(O)CCCc3ccccc32)cc1C	731360888	UFWBBKDSFMCSPZ-FQEVSTJZSA-N	311.425	3.317	10	20	DGCD	
COc1cc2c(cc1Cl)CN(C(=O)c1cc(O)cs1)CC2	832920253	ZZKJJIDEWREFPC-UHFFFAOYSA-N	323.801	3.314	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1cccc(F)c1)c1ccc(F)cc1O	903307756	FANQGEYSOALKET-DIFFPNOSSA-N	307.340	3.229	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccc(N(CC)CC)cc1)C(F)F	836243063	TWAJFHPFMHYEJK-CQSZACIVSA-N	313.392	3.376	10	20	DGCD	
CN1CCN(c2ccc(N[C@H]3CCc4cccc(O)c43)cc2)CC1	834740874	ABWXREJQOKOMNM-SFHVURJKSA-N	323.440	3.243	10	20	DGCD	
O=[N+]([O-])c1ccc2c(c1)N(Cc1cc3c(cc1O)CCC3)CC2	919948177	WZNCOQVYYJEDIG-UHFFFAOYSA-N	310.353	3.352	10	20	DGCD	
NC[C@]12CCC[C@H]1CN(Cc1ccc(N3CCCCC3)cc1)C2	844902219	LVZRFUBYAUSSMG-ICSRJNTNSA-N	313.489	3.238	10	20	DGCD	
CCO[C@H]1C[C@@H](N[C@H](C)c2ccc(Br)cc2O)C1	840764630	WVCQRBCFIJDZJX-JLLWLGSASA-N	314.223	3.373	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(C)n(C)c2C)cc1	918623933	HVJUFKMZJUWROM-UHFFFAOYSA-N	313.445	3.418	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@@H](C)c1cccc(OC)c1O	846161725	BVKJWSRKTPDJPT-KBPBESRZSA-N	319.401	3.292	10	20	DGCD	
C[C@@H](Cc1ccc(F)cc1)NC[C@@H](N)c1ccc(N(C)C)cc1	841045776	PTTBVVGXQIRPRI-IFXJQAMLSA-N	315.436	3.112	10	20	DGCD	
Cc1cc(O)c(CN(C)C[C@]2(O)CCc3ccccc32)cc1C	842621969	FNTQLKGWOMARRR-HXUWFJFHSA-N	311.425	3.275	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([C@@H]2CCCNC2)C1	843126645	MNOKTBBZQMJAGH-IEBWSBKVSA-N	315.505	3.273	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C2CC2)C2(CO)CCC2)c1O	852159316	URUZXUBGLRQFDO-UHFFFAOYSA-N	323.820	3.128	10	20	DGCD	
C[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cc([N+](=O)[O-])ccc1O	756613911	RSKDWKNPVDKZID-GDJRKYJOSA-N	320.389	3.155	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@H]2COC3(CCCC3)O2)c2c(O)ccc(F)c21	756785954	HCVLLGGNJFRMRW-MBNYWOFBSA-N	321.392	3.355	10	20	DGCD	
OC1CCN(c2ccc(CNCc3cccc(F)c3)cc2)CC1	850405396	MOPXDUVJJRIUNI-UHFFFAOYSA-N	314.404	3.077	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)CCc2ccco2)c1	858103472	UWHPLDCSUNGZLT-ZDUSSCGKSA-N	302.374	3.114	10	20	DGCD	
CCn1ccc(NCc2cc(C)cc(Br)c2O)n1	850363954	SXIQQMCMAQWCNP-UHFFFAOYSA-N	310.195	3.292	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1ccccc1)c1cc(F)cc(F)c1O	756571682	IYGPHZSLOPCROJ-APPDUMDISA-N	307.340	3.229	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@H](CO)Cc2ccco2)cc1	768841650	MHYXOCNXVITZTC-JKSUJKDBSA-N	316.445	3.238	10	20	DGCD	
COC(=O)c1oc([C@H](C)OC(=O)c2cc(O)cs2)cc1C	767345013	INZLAQONAPXITM-QMMMGPOBSA-N	310.327	3.060	10	20	DGCD	
COc1cc2c(cc1CNCc1c(C)cccc1O)O[C@@H](C)C2	876923785	INQLKESITNUATK-ZDUSSCGKSA-N	313.397	3.322	10	20	DGCD	
COCCOCc1ccc(NCc2c(C)cccc2O)cc1	877657625	GFRIBPPVMXZKKT-UHFFFAOYSA-N	301.386	3.476	10	20	DGCD	
Cc1ccc(CN[C@H](C)CCNC(=O)OC(C)(C)C)c(O)c1	877505866	JFEVUZFGWMRTIJ-CYBMUJFWSA-N	308.422	3.094	10	20	DGCD	
C[C@@H]1OCC[C@@H]1CN(Cc1ccco1)Cc1ccccc1O	878240776	KUELRRIMHBBOSV-LSDHHAIUSA-N	301.386	3.412	10	20	DGCD	
CNC(=O)c1cccc(CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)c1	1116585215	UBIHOUAWDWPURT-CZUORRHYSA-N	324.424	3.398	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1	773016276	ATRUTIRNKMOPLB-CYBMUJFWSA-N	300.377	3.312	10	20	DGCD	
C[C@@H](NC(=O)N1C[C@H]2[C@@H](C1)C2(C)C)c1ccc(N(C)C)cc1	773613302	PRULPGMOHPGZML-WQVCFCJDSA-N	301.434	3.111	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(C(C)C)nc2)c1O	896613887	YXLZAOJOULYSGX-UHFFFAOYSA-N	317.345	3.440	10	20	DGCD	
Cc1cc(C(=O)OC[C@H]2CCO[C@H]2C)c(C)n1-c1ccccn1	793418521	CDQVSCGXJNOBCS-LSDHHAIUSA-N	314.385	3.071	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1Cc2ccc(F)cc21)c1ccc(N(C)C)cc1	793857233	TXCBJVODGULNPB-XIKOKIGWSA-N	312.388	3.409	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccns1	1262621201	BQPPTHRBZZUIKN-UHFFFAOYSA-N	301.415	3.063	10	20	DGCD	
C[C@H]1C[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1	1521095373	HICAICPGKCWTOK-WFASDCNBSA-N	312.417	3.154	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H]3CCCC[C@@]3(C(=O)O)C2)cc1Cl	1600286634	SYRYAAHYFBRHMF-CXAGYDPISA-N	323.820	3.431	10	20	DGCD	
CCCCC[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)O	1595683633	VHTADQWKFNRLSE-LBPRGKRZSA-N	303.761	3.308	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)nc2C)c1	162189985	PAMBVZKGKLHYHK-JTQLQIEISA-N	320.776	3.249	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1CC(F)(F)F	92102927	AYGMMFKAEZKOCY-SNVBAGLBSA-N	322.758	3.114	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1cnn(C(C)(C)C)c1	93280538	HUJUEMZEJHQTHC-UHFFFAOYSA-N	302.378	3.008	10	20	DGCD	
CN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCCOC1	107670238	BGNKERPSWCMTHL-CYBMUJFWSA-N	307.434	3.254	10	20	DGCD	
Cc1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)oc1C	109761768	BGZSZSIJJJSJEF-INIZCTEOSA-N	316.401	3.178	10	20	DGCD	
CCCN(C)C[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	160315354	KNCFPCYIZHAARW-INIZCTEOSA-N	316.489	3.435	10	20	DGCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NCc2ccccc2O)C1	163469781	BDHGJMAOXXKTBW-LSDHHAIUSA-N	320.433	3.318	10	20	DGCD	
Cc1cc(C(=O)NCC[C@H](C)N)c(C)n1-c1ccc(Cl)cc1	178612336	SKWUGQOYRZRMKX-NSHDSACASA-N	319.836	3.215	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCSC2)cc1	178906930	WRFMYHBWJQOPRL-INIZCTEOSA-N	321.490	3.180	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cnc3ccc(F)cc3c2)cc1	179350346	MXWYALOARHVDCA-UHFFFAOYSA-N	323.371	3.370	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc([C@@H](C)O)cc2)c1	185119749	XBLSJDNAVXCFLR-QWHCGFSZSA-N	301.386	3.305	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](CCO)C2CCCCC2)c1	185829035	FPMUVUNVJDYFCD-CXAGYDPISA-N	307.434	3.383	10	20	DGCD	
CCC(=O)Nc1ccc(NCc2cc3c(cc2O)OCO3)cc1	236827537	IHRNDWUZUZCIFR-UHFFFAOYSA-N	314.341	3.082	10	20	DGCD	
COCCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)c1ccccc1	269255799	XINOTMAOMRZFON-HNNXBMFYSA-N	312.413	3.048	10	20	DGCD	
Cc1ccc([C@H](C)Nc2ccc(OCC(N)=O)cc2)c(O)c1C	273484319	MWPJKKRFWMEZQO-ZDUSSCGKSA-N	314.385	3.046	10	20	DGCD	
CC[C@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(C)cc1O	280024241	HOZMGSNMHNNXIJ-INIZCTEOSA-N	318.461	3.390	10	20	DGCD	
CC[C@H](NC[C@@H]1CCc2nccn2C1)c1ccc(F)cc1O	287675888	VZPUOQPYEZOQOV-WFASDCNBSA-N	303.381	3.031	10	20	DGCD	
Cc1cc([C@@](C)(O)CNCc2cc(Cl)ccc2O)c(C)o1	304345548	UIOVVQJZQNZPFP-INIZCTEOSA-N	309.793	3.253	10	20	DGCD	
CCSCCCNCc1ccc(Br)cc1O	691464660	FQAORTPUJLEBHE-UHFFFAOYSA-N	304.253	3.388	10	20	DGCD	
OC[C@H](CNCc1cc(Cl)ccc1O)Cc1ccc(F)cc1	725846286	BWYAYQVSTBXIFZ-ZDUSSCGKSA-N	323.795	3.126	10	20	DGCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)c1ccc2c(c1)CCC2	731910765	CCMPGAMZMMJFBA-JTQLQIEISA-N	316.378	3.371	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@H](C(C)C)C2)c1	734070141	CFBDDOPICCKMBJ-ZFWWWQNUSA-N	320.433	3.415	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H]2CCCc3c2cnn3C)c2c(O)ccc(F)c21	756403745	QYQKQIFGOPJZOY-DDTOSNHZSA-N	315.392	3.480	10	20	DGCD	
c1nc(NCCCSc2nccs2)cc(NCC2CC2)n1	758037830	SNBWJBIXUKVPAP-UHFFFAOYSA-N	321.475	3.349	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2Cc3cccc(O)c3C2)cc1	758546400	OYUQZXWQTSNARJ-KRWDZBQOSA-N	310.441	3.495	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@H](O)C(C)C)c2C)c1	762983578	FMZJVHADYKNONC-SFHVURJKSA-N	314.429	3.149	10	20	DGCD	
Cc1nc(C)c(C)c(NCc2cccc(Br)c2O)n1	764933515	DYFVIWCYFSNENN-UHFFFAOYSA-N	322.206	3.482	10	20	DGCD	
Cc1nccn1CCN(Cc1ccco1)Cc1ccccc1O	766249025	GTWTXJNMQXDAPA-UHFFFAOYSA-N	311.385	3.193	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1C[C@@H]2CCCN[C@@H]2C1	769443112	QBGBJJHDJXDDKU-PKOBYXMFSA-N	308.425	3.243	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc2ncccc2c1	770403843	MUZSCVCSMGHRCE-VMPITWQZSA-N	321.332	3.403	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1	773802503	VOBBRSHYHXSQIZ-QFBILLFUSA-N	312.461	3.422	10	20	DGCD	
CN1C(=O)CCc2cc(CNc3ccc4c(c3)ncn4C)ccc21	775314816	SNECUNNDJGJVKA-UHFFFAOYSA-N	320.396	3.094	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc3cc[nH]c3n2)cc1	779501201	RSKIRAPQFQWDOZ-UHFFFAOYSA-N	322.412	3.339	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC[C@H](C)OC)cc1	782209434	FXZZNWGEGKGSCQ-HNNXBMFYSA-N	306.450	3.306	10	20	DGCD	
CCOCOc1ccc(CN(C)Cc2ccccc2O)cc1	783425564	UMVLAHYPSGAEPV-UHFFFAOYSA-N	301.386	3.397	10	20	DGCD	
C[C@@H](NCC1(CO)CCC1)c1cccc(C(F)(F)F)c1O	788743642	ZSLZDTVCKHMFDE-SNVBAGLBSA-N	303.324	3.224	10	20	DGCD	
C/C=C(/CC)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	788832373	OAODUBMPHHAVKY-DVWGGOINSA-N	302.418	3.057	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2N(C)CCCC2(C)C)c1	790498148	PGSJJEJPWVSLEZ-CXAGYDPISA-N	306.450	3.172	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCc1ccc2c[nH]nc2c1	790618907	KLJDHYVWVUVIMJ-UHFFFAOYSA-N	319.767	3.393	10	20	DGCD	
C[C@H](COCC(F)(F)F)NCc1c(O)ccc(Cl)c1F	790961908	DOYZIWVZIYJUNH-SSDOTTSWSA-N	315.694	3.242	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2[C@@H](C)CCC[C@H]2C)c(O)c1	793076920	WNYHIVLZGJDSTE-ATCWAGBWSA-N	306.406	3.025	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)c(O)c1	794376450	HDPWLDZJNZYKDS-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](C)OC2CCCCCC2)c(O)c1	794376938	DDAGHIVRAIWXBB-ZDUSSCGKSA-N	321.417	3.145	10	20	DGCD	
CC[C@H](NC[C@H](CO)Cc1ccco1)c1ccc(C)cc1O	794810547	LUVWSAZWJZNEKO-PBHICJAKSA-N	303.402	3.186	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)c1	809758692	TXVYTQMQRBFDGZ-JKSUJKDBSA-N	319.445	3.430	10	20	DGCD	
CC[C@H](CSC)N(C)Cc1ccc(N2CCN(C)CC2)cc1	809767048	FSJSJKQZYGHCAA-QGZVFWFLSA-N	321.534	3.012	10	20	DGCD	
CN(C)c1ccc(OCc2nc(-c3ccsc3)no2)cc1	810002433	XFEPQVCSTPADJL-UHFFFAOYSA-N	301.371	3.443	10	20	DGCD	
CC[C@@H](NC[C@@H](COC)OC)c1ccc(C(F)(F)F)cc1O	810236103	YLQUPXZTWQQQKS-WCQYABFASA-N	321.339	3.113	10	20	DGCD	
CC[C@H](NCc1ccc(CCN)cc1)c1ccc(N(C)C)cc1	817948428	JRBSUJQSPWROOA-FQEVSTJZSA-N	311.473	3.495	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCS[C@H]1C	828524396	CALIUBLDZFDEOK-XJKSGUPXSA-N	321.490	3.178	10	20	DGCD	
CC[C@H](NC[C@@H]1CCOC[C@@H]1OC)c1cccc(Cl)c1O	834880700	OEARSWVGDCYVLJ-CQDKDKBSSA-N	313.825	3.138	10	20	DGCD	
C[C@@H](C(=O)NCc1cccc(Br)c1O)C1CCC1	837581511	JOISUOSPVOCATD-SECBINFHSA-N	312.207	3.207	10	20	DGCD	
CCN1CCC(N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1	840892570	BGNDIRYYGWAHQE-MRXNPFEDSA-N	303.494	3.066	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCC[C@@H]2C2CC2)c1O	840954824	OQQTYWXDTGRUEQ-TZMCWYRMSA-N	320.389	3.225	10	20	DGCD	
C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1cc(O)cs1	844148864	HMKHHTASDJDWQB-BMIGLBTASA-N	321.373	3.195	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H]2CCCCN2C2CC2)c1O	846166797	PDNKSBHEHVGNBB-ZFWWWQNUSA-N	304.434	3.068	10	20	DGCD	
CNC(=O)CC1(CN[C@@H](C)c2cc(C)ccc2O)CCCCC1	850558052	ZCZAUERZRLMLFY-HNNXBMFYSA-N	318.461	3.438	10	20	DGCD	
COc1ccc(N(C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1	852210050	WUKXEWJQBODSJV-HNNXBMFYSA-N	318.461	3.416	10	20	DGCD	
Cc1ccccc1NCCC(=O)NCc1cc(Cl)ccc1O	857547749	RXOHKSSBOAGAQZ-UHFFFAOYSA-N	318.804	3.472	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@](C)(O)c2ccccc2)cc1F	858137519	SMRPDLMKMFBUCG-SFHVURJKSA-N	320.383	3.028	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@H]2CCCOC2)cc1F	862398370	GQRWNAQOXNMCMS-SUMWQHHRSA-N	324.415	3.422	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1C	865711674	PXHGHACGEYZJDA-KBPBESRZSA-N	305.340	3.046	10	20	DGCD	
C[C@@H](NCCCn1c(O)nc2ccccc21)c1ccccc1O	879648602	VRVPXJXFDFDJLE-CYBMUJFWSA-N	311.385	3.188	10	20	DGCD	
COc1cc(C)cc(CNCCCc2cccc(C)n2)c1O	894738921	GGZXLKTWIMQOQS-UHFFFAOYSA-N	300.402	3.135	10	20	DGCD	
Cc1ccc(C2=NO[C@@H](CNCc3ccccc3O)C2)cc1C	895499886	ZUBYJDSZUSYPAQ-QGZVFWFLSA-N	310.397	3.292	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	910950298	VXRATIOQOROMNZ-HZSPNIEDSA-N	303.402	3.321	10	20	DGCD	
COCCCN(C)CC(=O)c1cc(C)n(-c2ccccc2)c1C	921193075	HHBZFEUWQVIFEY-UHFFFAOYSA-N	314.429	3.245	10	20	DGCD	
CC(C)[C@@H](C)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1319932694	RFQRYVODKDZNOY-OAHLLOKOSA-N	307.457	3.054	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C)CO[C@@H]1CCOC1	1321024798	VWGRKGKLUXNEJG-BARDWOONSA-N	305.418	3.033	10	20	DGCD	
CC1=C(C)CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1	1321091546	YOPPNYSOSFZWLZ-UHFFFAOYSA-N	317.452	3.120	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1	1325022424	FDWVVIRQJVSIFL-PMACEKPBSA-N	312.457	3.430	10	20	DGCD	
CCN1CCN(c2cccc(NCc3ccc(N)cc3)c2)CC1	1334754283	OEBZIEJZOPUEFY-UHFFFAOYSA-N	310.445	3.023	10	20	DGCD	
COc1ccc(CNC[C@@H](C)Cc2cccs2)c(O)c1OC	1342960757	NGPDYKPZTZWZSI-LBPRGKRZSA-N	321.442	3.439	10	20	DGCD	
Cc1cc(CNC(C)(C)CC(=O)O)ccc1N1CCCCC1	1600206386	VBSLQGHEILAQQL-UHFFFAOYSA-N	304.434	3.328	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCCCC3)C[C@@H]2C(=O)O)cc1	1777039360	HUCKUUBIYHOEJG-QGZVFWFLSA-N	316.445	3.362	10	20	DGCD	
COc1ccc(CCNCc2cc(C)ccc2O)cc1OC	103854791	LZEXDCAAUFFQDV-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccccc1O	109773390	LWFCAWBJXMJKJL-UHFFFAOYSA-N	318.804	3.425	10	20	DGCD	
CCCN(Cc1nnc(-c2ccco2)o1)Cc1ccccc1O	76074081	PQMMGMVILKVAPT-UHFFFAOYSA-N	313.357	3.447	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)Cc2cnc(C)s2)c1O	79400400	AAQNOASUVQSULO-UHFFFAOYSA-N	308.378	3.131	10	20	DGCD	
CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(F)cc1	127479644	UUTYNWHCWGWVNZ-HNNXBMFYSA-N	317.360	3.089	10	20	DGCD	
Nc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	216270963	GBUKIRWXQUSKHH-VXGBXAGGSA-N	300.324	3.254	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	185512104	JVHXTRLAOKJKGO-VAOFZXAKSA-N	324.273	3.462	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC23CCCCC3)c1	180565136	AXIJARABQDEPPR-MLGOLLRUSA-N	318.417	3.484	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]1(C)CCCS1	133597857	ZUIXPLIDCSEERR-KRWDZBQOSA-N	321.490	3.146	10	20	DGCD	
Cc1ccc(C(=O)NCCN[C@H](C)c2cc(C)ccc2O)cc1	193911090	MUDJCLHDJDJUAV-OAHLLOKOSA-N	312.413	3.090	10	20	DGCD	
Nc1ccc(CC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1	237903320	VPCJXLBTOSMEKU-PXNSSMCTSA-N	324.424	3.095	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@](C)(CO)C2)cc1F	93340750	UOHSCFNUHNTPIU-GOSISDBHSA-N	308.441	3.266	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2ccc(F)nc2)C2CC2)cc1	265116700	ZAAQGZYSXANLNF-UHFFFAOYSA-N	313.376	3.092	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H](N3CCCC3)C2)c1O	368624031	KTXOMHKFMCGBPH-HNNXBMFYSA-N	324.852	3.114	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2ccc3ccccc3c2O)c(=O)n1C	279597556	VWZDLRHHOCSFQI-AWEZNQCLSA-N	322.408	3.403	10	20	DGCD	
Oc1cccc(Cl)c1CNc1cccc(Cn2cncn2)c1	378890606	QAKNVCVCKCJXOB-UHFFFAOYSA-N	314.776	3.298	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@@H](c3ccco3)C2)cc1F	374266979	BPEAXSOGWHSOLH-QGZVFWFLSA-N	304.365	3.058	10	20	DGCD	
CC[C@@H](NC[C@H](O)c1ccc(OC)cc1)c1ccc(F)cc1O	285811583	VVSITTMKXJSASW-AEFFLSMTSA-N	319.376	3.314	10	20	DGCD	
CC[C@H](NC[C@](C)(O)C(F)(F)F)c1cccc(Cl)c1O	287755857	QOMACJDKSGVESW-JQWIXIFHSA-N	311.731	3.400	10	20	DGCD	
C[C@H](O)CCCNCc1ccc(N(C)C)cc1C(F)(F)F	280533099	IPWRAGYRHAPHJH-NSHDSACASA-N	304.356	3.022	10	20	DGCD	
CC[C@H](NCc1ccc(OC)nc1OC)c1ccccc1O	290250259	UEOGKOZQWJOAIQ-AWEZNQCLSA-N	302.374	3.045	10	20	DGCD	
CNC(=O)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1	809659804	ZVNYDMXJGRRLDQ-UHFFFAOYSA-N	308.740	3.156	10	20	DGCD	
COC[C@H](N[C@H](C)c1cc(Cl)cc(C)c1O)[C@@H]1CCCO1	808715495	GWRHXEQGHZJMGA-UGFHNGPFSA-N	313.825	3.199	10	20	DGCD	
OC[C@@H]1Cc2ccccc2N(Cc2c(O)cccc2Cl)C1	814169940	PSWPSUAVZMHJLR-GFCCVEGCSA-N	303.789	3.217	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1F	817938907	VJRQUPQGMVRSTA-ACJLOTCBSA-N	301.409	3.242	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(Cl)o1)Cc1ccccc1O	822512195	XKJFDCJTGWZELH-UHFFFAOYSA-N	323.776	3.204	10	20	DGCD	
C[C@H](CNC(=O)NCc1ccccc1O)c1ccc(F)cc1	726241965	QIZBDGOCTUTUQD-GFCCVEGCSA-N	302.349	3.134	10	20	DGCD	
CCCCC[C@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1	822819682	XZFQSULCCXOCSB-SFHVURJKSA-N	318.461	3.234	10	20	DGCD	
Cc1cc(O)c(CN(CCO)Cc2ccccc2)cc1Cl	824484492	KBCZHMJFHYWFHU-UHFFFAOYSA-N	305.805	3.349	10	20	DGCD	
C[C@@H]1CSCCN(Cc2ccc(Br)cc2O)C1	825693149	UKRCCMNSMKFIHO-JTQLQIEISA-N	316.264	3.340	10	20	DGCD	
CCN(CC)c1ccc(CNC2CCC(C(=O)O)CC2)cc1	737093269	DMJWURDSYMYVAU-UHFFFAOYSA-N	304.434	3.266	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CC2CCCCCC2)cc1	832267518	UKHTZXYXKUBTHD-SFHVURJKSA-N	317.477	3.229	10	20	DGCD	
CN(C)c1ccc(CN2CCCC[C@@H]2CCC(=O)O)cc1F	901998719	XJCKMRBHCTXNED-CQSZACIVSA-N	308.397	3.111	10	20	DGCD	
C[C@@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc(F)ccc1O	834905955	XBMOMMGZFANRPD-RVZJWNSFSA-N	316.376	3.497	10	20	DGCD	
CC(C)[C@H](N)CCN(C)Cc1ccc(N2CCCCC2)cc1	843056454	KKWZEALIKIJVSM-LJQANCHMSA-N	303.494	3.482	10	20	DGCD	
COc1cc(C)cc(CN2CC[C@H](Oc3ccccc3)C2)c1O	842617302	OVWZZTCNGUWKSB-KRWDZBQOSA-N	313.397	3.363	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CS[C@@H](C)C1	840416754	MSSSTGBABKMUAF-DZGCQCFKSA-N	321.490	3.178	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@H](C)CCO)c2C)c1	746227761	UZSLOOYXAICTEB-CQSZACIVSA-N	314.429	3.212	10	20	DGCD	
C[C@@H](NC[C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1	840883412	ZMZKWIIFEPGODK-RHSMWYFYSA-N	316.420	3.318	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CO[C@H](C)C2)c(C)n1-c1ccc(F)cc1	844105223	IKNNUJSFSRWXNW-DOMZBBRYSA-N	316.376	3.140	10	20	DGCD	
C[C@H](N[C@@H](CCO)c1ccccc1F)c1ccc(F)cc1O	842924432	QCCJKNVXJQUANG-ZBEGNZNMSA-N	307.340	3.445	10	20	DGCD	
Cc1cc(C)c(CNC(=O)NCCc2ccc(N)cc2)c(C)c1	841757707	PNYAAMRGMKYHAO-UHFFFAOYSA-N	311.429	3.236	10	20	DGCD	
C[C@@H](NCCCNc1ncccn1)c1ccc2ccccc2c1O	756643124	ROIOGIUQAAZBMF-CQSZACIVSA-N	322.412	3.488	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1C=CCC1	852385428	PQQSQAUBWUQWLN-HOCLYGCPSA-N	301.434	3.010	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc(Cl)ccc1O)CC1(C)OCCO1	866424133	CPDOCTRQZGGKIU-NWDGAFQWSA-N	313.825	3.485	10	20	DGCD	
COc1ccc(N(C)Cc2c[nH]nc2C(C)(C)C)cc1OC	761223245	YAAUKVNYVAIFLA-UHFFFAOYSA-N	303.406	3.361	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cncc2ccccc12	779543228	VYSSQMVMDKZXRE-SOFGYWHQSA-N	306.321	3.298	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C3CCCC2CCC3)c1O	774909377	PRDPSSDYKHLCMO-UHFFFAOYSA-N	306.362	3.216	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C(F)F)[nH]n1	878596486	DWFMTDNYQHCNHX-UHFFFAOYSA-N	309.316	3.105	10	20	DGCD	
CC[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1O	775487707	NVFQUCUOSGHKMQ-ZBFHGGJFSA-N	318.804	3.313	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H]1CCO[C@H]1C	771036514	LFOPQRSTCQUUPV-GXTWGEPZSA-N	305.399	3.490	10	20	DGCD	
CC[C@@H](N[C@@H](CCO)COC)c1ccc(Cl)c(Cl)c1O	775510298	ZWPJNKAMTVIWJL-JOYOIKCWSA-N	322.232	3.137	10	20	DGCD	
CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1	772588986	WTMQTPVEZSBTED-NSHDSACASA-N	300.358	3.039	10	20	DGCD	
COc1ccc(N(C)Cc2cc(OC)c3c(c2)OCO3)cc1F	780779527	JTLTVRHAXRBOOR-UHFFFAOYSA-N	319.332	3.208	10	20	DGCD	
COc1ccc(CNC(=O)CCc2ccc3[nH]ccc3c2)c(O)c1	794389756	CWPIGCIUJWWWMM-UHFFFAOYSA-N	324.380	3.131	10	20	DGCD	
COc1cc(CN2CCC[C@](C)(O)CC2)c(O)c(C(C)(C)C)c1	794672843	PTHXROAPIQACQN-IBGZPJMESA-N	321.461	3.435	10	20	DGCD	
Cc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)no1	792933011	WSOZGFBIJJNUEO-UHFFFAOYSA-N	313.323	3.358	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cc(C)ccc2OC)c(O)c1	797607451	ZOMHQTOWUBIVNG-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc(O)cs1	792668152	COEGMULHDLBMQJ-AWEZNQCLSA-N	319.426	3.221	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@@H](C)CC(C)C)cc1C	1169415099	WRJSGDWYSDGCIV-INIZCTEOSA-N	320.477	3.282	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cnn(C3CCCCC3)c2)c1	1329545045	RIRLBYUAEIITQF-UHFFFAOYSA-N	313.401	3.332	10	20	DGCD	
C[C@H]1C[C@@H](C)[C@H](CN)CN1Cc1ccc(N2CCCC2)cc1	1325701911	CLIDHIRRIKLNHK-SOLBZPMBSA-N	301.478	3.092	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1	1358148552	QNMMVVOPAUPCFD-ZFWWWQNUSA-N	304.434	3.135	10	20	DGCD	
C[C@H](Nc1cnn([C@H](C)C2CC2)c1)c1cc(C(=O)O)ccc1O	1609786405	QHTWNSHRTYOJAW-WDEREUQCSA-N	315.373	3.431	10	20	DGCD	
Cc1ccc(CN[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(O)c1	877059324	URWYMZIZOJUAHV-HNNXBMFYSA-N	320.433	3.094	10	20	DGCD	
O=C(CC1CCCCC1)NCc1ccc(N2CCOCC2)cc1	54285334	CFNXSMWISPLENN-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
C[C@H]1Oc2ccc(N[C@H](C)c3cc(F)ccc3O)cc2NC1=O	176982941	NRIWZRLSKLVOSX-NXEZZACHSA-N	316.332	3.424	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2nccn2C)cc1	61072128	GJOOWYSAPMLVJY-UHFFFAOYSA-N	322.412	3.100	10	20	DGCD	
CC[C@H](NC[C@H](O)C(C)C)c1cc(Br)ccc1O	119220890	HTLSLIHKYOKELC-JSGCOSHPSA-N	316.239	3.212	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc(F)cc1O)c1ccc(NC(N)=O)cc1	170789491	ROZCOMNOGGVIFA-GHMZBOCLSA-N	317.364	3.434	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCN(C)c2ccccc2)c1	182394191	QEDBKIMXRVLLHT-CQSZACIVSA-N	300.402	3.188	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC(C)(C)C1	186397505	JHWDZMLUXBQINM-JSGCOSHPSA-N	305.418	3.361	10	20	DGCD	
C[C@H]1CCC[C@]1(O)CNCc1cc(Cl)cc(Cl)c1O	328185135	OITMHFVOAZCODW-XPTSAGLGSA-N	304.217	3.340	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@@H](CC)C1	183580587	VTZORADGTJWKRB-HOCLYGCPSA-N	305.418	3.336	10	20	DGCD	
CCC1(CO)CCN(Cc2cc(Cl)cc(OC)c2O)CC1	184697678	DKBBBVQVFBTAEC-UHFFFAOYSA-N	313.825	3.039	10	20	DGCD	
COc1cccc(CN[C@@H](C)[C@H](c2ccccc2)N(C)C)c1O	185677601	IWDBPAWAICCXCR-KBXCAEBGSA-N	314.429	3.182	10	20	DGCD	
C[C@@H](NCCC(=O)OC(C)(C)C)c1ccc(F)c(F)c1O	187733885	XLQPATHLVOZNRW-SECBINFHSA-N	301.333	3.053	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](C)Cc2ccc(C)cc2)c1O	182507164	XNGCWMQDBOITHS-CQSZACIVSA-N	313.397	3.204	10	20	DGCD	
C[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccc(N(C)C)cc1	319751312	UPTCBLVBCWTYEY-RHSMWYFYSA-N	312.413	3.243	10	20	DGCD	
COc1cccc(CNC[C@](C)(O)c2cccc(Cl)c2)c1O	185111345	MKPBSODDQGAVBQ-KRWDZBQOSA-N	321.804	3.052	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1	76844878	RBLQAEDOXQCKOE-UHFFFAOYSA-N	300.362	3.448	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)Cn2ccnc2)c(C)n1-c1ccccc1	42535689	PQHBABZXIWDDPM-CQSZACIVSA-N	322.412	3.109	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCCCC[C@H]2C[C@H](C)O)c1O	323673760	XHUVWLFQJKJCMI-LRDDRELGSA-N	323.408	3.249	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCSCC1	195475069	ISCLPKRYEZKZQV-UHFFFAOYSA-N	321.490	3.180	10	20	DGCD	
Cc1c(CNC(=O)c2ncc(F)cc2F)n(C)c2ccccc12	348661544	OPDSDMDXUBHRLF-UHFFFAOYSA-N	315.323	3.090	10	20	DGCD	
COC[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	266008141	OOSQLIYCHJNPSF-AWEZNQCLSA-N	318.442	3.264	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCC(O)(CC)CC	276490729	PSLGQNOYEJFCOD-UHFFFAOYSA-N	322.449	3.255	10	20	DGCD	
CCOCCC1(CN[C@@H](C)c2cc(C(=O)OC)ccc2O)CC1	273485590	NHFCHKWFYMXGLM-ZDUSSCGKSA-N	321.417	3.036	10	20	DGCD	
C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(N(C)C)cc1	285518993	BRKVBECQOSJPRD-MZMPZRCHSA-N	317.477	3.097	10	20	DGCD	
CC[C@H](NCC1(SC)CCOCC1)c1ccc(F)cc1O	286306644	XHQQMAKATBICSB-AWEZNQCLSA-N	313.438	3.484	10	20	DGCD	
CC[C@H](NC[C@H](O)Cc1cccc(F)c1)c1ccccc1O	295105756	KZIZMQCHZODWBQ-WBVHZDCISA-N	303.377	3.176	10	20	DGCD	
CN(Cc1cccc(Cl)c1O)C[C@@H](O)Cc1ccccc1	294076525	YTNFCJFASWKAQB-HNNXBMFYSA-N	305.805	3.081	10	20	DGCD	
CN(CCN(C)C1CC1)Cc1cc(Cl)cc(Cl)c1O	809755482	RFXYVWMRIRJDCT-UHFFFAOYSA-N	303.233	3.225	10	20	DGCD	
Oc1cccc2c1[C@@H](NC1CCN(Cc3ccccn3)CC1)CC2	295925921	JXXPINPJXLTBRL-SFHVURJKSA-N	323.440	3.029	10	20	DGCD	
OCC[C@H](NCc1cc(F)ccc1O)c1ccc(Cl)cc1	290286975	ZSRKZCRAGLKNMY-HNNXBMFYSA-N	309.768	3.398	10	20	DGCD	
COc1ccc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)c(O)c1	804681630	APFVDAIOHPUYDG-UHFFFAOYSA-N	316.313	3.124	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC2CCC1CC2	560084429	SQKWGFXACZLQEZ-ZBCRRDGASA-N	314.429	3.304	10	20	DGCD	
COC(=O)Cc1cccc(NCc2ccc3ccccc3c2O)n1	816590913	OULBBXKLBBHFGP-UHFFFAOYSA-N	322.364	3.268	10	20	DGCD	
COCCCOc1ccccc1NC[C@@H](O)Cc1ccccc1	819421432	JDQNQWMQFUBKOZ-KRWDZBQOSA-N	315.413	3.117	10	20	DGCD	
COc1ncc(/C=C\C(=O)N(C)c2cc(Cl)ccc2C)cn1	818809777	XBQJKWYCNDWOKV-ALCCZGGFSA-N	317.776	3.123	10	20	DGCD	
COc1cc(F)c([C@H](C)NCCc2ccc(N)cc2)cc1OC	817955459	BJHHIWZPOLUAFG-LBPRGKRZSA-N	318.392	3.318	10	20	DGCD	
COc1cc(Cl)cc(CN(C)[C@@H](CO)CC(C)(C)C)c1O	825041023	YZJVPIMOPQKTKA-CYBMUJFWSA-N	315.841	3.283	10	20	DGCD	
CC[C@@H](NC(=O)NCc1cc(OC)ccc1O)c1ccccc1	734068205	WDKMBAYQQUEMJQ-MRXNPFEDSA-N	314.385	3.351	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C(C)C)C2(CO)CCCC2)c1	835064866	BSNARIDWMSZYPQ-KRWDZBQOSA-N	307.434	3.068	10	20	DGCD	
CS[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839920974	WCFKFILDXAFIIN-UONOGXRCSA-N	308.491	3.250	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC(=O)c2cccn2C)cc1	741677680	ATYPHMIUQGSURH-UHFFFAOYSA-N	313.445	3.186	10	20	DGCD	
CCOc1ccc(N(C)C[C@@H](O)COc2ccccc2F)cc1	740423124	BWNKGBHWKCYHPD-OAHLLOKOSA-N	319.376	3.101	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cc2c(cc1Cl)OCO2	748442357	JAHJFMYWQXNIEP-UHFFFAOYSA-N	320.732	3.096	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O	840950414	IBGSEJSNTPSKLN-GUDVDZBRSA-N	302.462	3.186	10	20	DGCD	
C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1	919896654	HODOCISTJIETSR-GDBMZVCRSA-N	303.450	3.378	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1C[C@H](C)N(C2CC2)C1	840893472	IYDKLYWBNNTDJG-XYJFISCASA-N	315.505	3.207	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)OCC(F)(F)F	840929993	FJWHNXURLCKQQD-NSHDSACASA-N	318.339	3.281	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2c(C)cccc2F)c1	756612471	XDXCBNQLJDQCGU-GFCCVEGCSA-N	317.360	3.477	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CC(F)F	859192191	KVWQGCYOHMSECD-UHFFFAOYSA-N	320.339	3.244	10	20	DGCD	
COC(C)(C)CN[C@H](C)c1cc(Br)c(F)cc1O	756644533	BAZFCOUEVHDRDN-MRVPVSSYSA-N	320.202	3.369	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1CCC(=O)O1	852187271	NGCLYEWEEUAFAV-GDBMZVCRSA-N	303.402	3.036	10	20	DGCD	
O=C(NCc1ccccc1O)c1cccc(C(F)(F)F)c1O	857472737	YNQFKWLUZPFPCL-UHFFFAOYSA-N	311.259	3.047	10	20	DGCD	
CCC[C@@H](CCO)N[C@H](C)c1cc(Br)ccc1O	866414653	JINAAGQFLUMLME-PWSUYJOCSA-N	316.239	3.356	10	20	DGCD	
C[C@H](NC[C@]1(C)CCO[C@H]1C1CC1)c1cc([N+](=O)[O-])ccc1O	768295185	SIGCXPRSPMJDJX-GOPGUHFVSA-N	320.389	3.156	10	20	DGCD	
CCC(O)(CC)CN(C)Cc1cc(Br)ccc1O	862539541	OPDHDKKEMCQDRL-UHFFFAOYSA-N	316.239	3.138	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2coc(C=O)c2)cc1F	932386633	SPWXMSNAGVTPOJ-UHFFFAOYSA-N	318.348	3.007	10	20	DGCD	
COc1ccc(N(C)Cc2cnc3cccc(C)n23)cc1OC	761221488	OIIINCYLEXAOFW-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
Cc1ncc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)s1	866077412	TXVXYVZOSJQPGQ-NSHDSACASA-N	318.446	3.078	10	20	DGCD	
C[C@H](Nc1cnn(CCO)c1)c1cc(Cl)c(Cl)cc1O	774305149	ZQJCZLIVLLNKPY-QMMMGPOBSA-N	316.188	3.061	10	20	DGCD	
C[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@H](C(N)=O)C1	779204459	SNUXNQGTOZJVAE-KSSFIOAISA-N	324.424	3.145	10	20	DGCD	
COC(C)(C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773327265	WULWCHVFOSQRSH-ZIAGYGMSSA-N	321.465	3.316	10	20	DGCD	
COCCOC[C@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1O	774254826	RDVSQGHNURNERI-UWVGGRQHSA-N	322.232	3.401	10	20	DGCD	
CCCC[C@H]1NC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O	777598735	AJBWMVHAFKALPR-MRXNPFEDSA-N	317.433	3.143	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC)c(Cl)c2)[nH]1	781920514	MTICCSVGHAOXQH-UHFFFAOYSA-N	308.765	3.100	10	20	DGCD	
CCOC(=O)[C@@H](CC)N(Cc1cc(Cl)ccc1O)C1CC1	787438562	BWXBRKRXIRMOIP-CQSZACIVSA-N	311.809	3.352	10	20	DGCD	
CCOC1(C(=O)NCCCSc2nccs2)CCCC1	796422155	XIQOYRQUFCQUIW-UHFFFAOYSA-N	314.476	3.091	10	20	DGCD	
CC(=O)Nc1ccc(N[C@H](C)c2cc(F)cc(F)c2O)nc1	1321037572	NXWZVMYVCASLCP-MRVPVSSYSA-N	307.300	3.197	10	20	DGCD	
CCCN1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1321386460	DYJWLKSEKAMYDH-CRAIPNDOSA-N	317.477	3.194	10	20	DGCD	
CCOc1ccc(N2CCN(C[C@H](O)CCC(C)C)CC2)cc1	1344438602	FTBDNTJEWNBWRB-GOSISDBHSA-N	320.477	3.004	10	20	DGCD	
CCN(CC)c1ccc(CNCCSC[C@@H](C)C(=O)O)cc1	1776861066	HSHIOUUFNIPECS-CQSZACIVSA-N	324.490	3.076	10	20	DGCD	
Cc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)nn1C	151120143	PDHHUZWRAANTGN-UHFFFAOYSA-N	308.385	3.388	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1c[nH]nc1-c1cccnc1	155198133	SOGUKPDZMSMOBZ-UHFFFAOYSA-N	321.428	3.170	10	20	DGCD	
CCc1cc(CN(C)CCCC(=O)NC)c(O)c(C(C)(C)C)c1	156986900	FVBOBWWDURDNHJ-UHFFFAOYSA-N	320.477	3.210	10	20	DGCD	
Oc1cc2c(cc1CNc1cccc(Br)c1)OCO2	42879247	SXKFKPPUUMZTAT-UHFFFAOYSA-N	322.158	3.496	10	20	DGCD	
CCc1ccccc1NC(=S)NNc1ccc(C(=O)O)cc1	7350356	NBEDKVNMYCEOJR-UHFFFAOYSA-N	315.398	3.261	10	20	DGCD	
Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(F)c1	176977360	IILWEDDDUYPWSD-UHFFFAOYSA-N	314.360	3.239	10	20	DGCD	
CC(C)c1nsc(NCc2ccc(N3CCOCC3)cc2)n1	301449037	RWHUYIWFHPSVIW-UHFFFAOYSA-N	318.446	3.110	10	20	DGCD	
C/C(=C\C(=O)NCc1ccc(O)c(O)c1)c1ccccc1Cl	178443304	DJRBPFQZYJQJCS-DHZHZOJOSA-N	317.772	3.471	10	20	DGCD	
CCCOc1ccc(CN(C)CCc2ccccn2)c(O)c1	120822217	FDDVFOLMZOJSAN-UHFFFAOYSA-N	300.402	3.251	10	20	DGCD	
Clc1ccc(NCc2ccc(N3CCOCC3)cc2)nc1	78653827	CKNRVAMEVBMJQG-UHFFFAOYSA-N	303.793	3.184	10	20	DGCD	
COc1ccc(O)c(CN2CCSC[C@H]2c2nccs2)c1	186639635	AREZOJDVTZKRLU-ZDUSSCGKSA-N	322.455	3.147	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	182516387	YXPOYPCNDYMSDO-RBSFLKMASA-N	303.402	3.321	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(C#N)c(F)c2)c1	192156421	PYZLWHJKTLLOPT-NSHDSACASA-N	300.333	3.262	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCc2nc(C3CC3)ncc2C1	529665153	KSDHZOWWBQNCOL-UHFFFAOYSA-N	315.804	3.271	10	20	DGCD	
Cc1c(CNC2CCN(CC(F)F)CC2)n(C)c2ccccc12	361440761	QDBBROHGDMNGJR-UHFFFAOYSA-N	321.415	3.306	10	20	DGCD	
CN1CC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1	272589075	HQLLOZACRFTKTM-HZMBPMFUSA-N	315.244	3.225	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ncnn2C(C)(C)C)cc1	282677311	NFSSCLSTCKECJQ-UHFFFAOYSA-N	315.465	3.169	10	20	DGCD	
CCN(Cc1occc1C(=O)OC)c1ccc(OC)c(OC)c1	299281925	OOSLYRVEDDJTRN-UHFFFAOYSA-N	319.357	3.110	10	20	DGCD	
C[C@@H](N)[C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1	817898590	JNDGDXOZNSQFKH-DYESRHJHSA-N	323.484	3.335	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](CO)NCc1cc(Cl)c(F)cc1O	816550441	RCUXXEIFFLTUPY-BZNIZROVSA-N	323.795	3.439	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c(O)c1	817942253	NNLIYVRTTPJBQP-KDOFPFPSSA-N	313.445	3.117	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2C[C@H](C)n3ccnc32)c1O	825016327	ATFLSYAIIHGHHT-JOYOIKCWSA-N	307.781	3.046	10	20	DGCD	
Cc1cc(O)c(CNc2cnn(C3CCOCC3)c2C)cc1C	824515061	DERVXKKUMURUJD-UHFFFAOYSA-N	315.417	3.478	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2ncccc2F)C2CC2)cc1	821033496	UDYNWAXYWGTIKR-UHFFFAOYSA-N	313.376	3.092	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2cccnc2C)c1	834909616	BAQLXFLADQIANZ-OCCSQVGLSA-N	313.401	3.082	10	20	DGCD	
Cc1cc(F)cc(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	831930801	JDVPSPSNIFJAMC-LBPRGKRZSA-N	317.360	3.215	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(-c2cccc(F)c2)no1	748344841	CYTHHZSRIRROPW-UHFFFAOYSA-N	312.300	3.116	10	20	DGCD	
CC[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	746982600	COPJQIXBCYRNLX-HNNXBMFYSA-N	315.461	3.401	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(Cl)cc1O	841748246	IKTZZAMBOPRSOD-RBOXIYTFSA-N	311.809	3.034	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(F)c1	749391409	LSYZOCWDLVPRNH-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@H]1[C@@H]1CCCOC1	842620159	ZNRNMBXZFRIOEO-QAPCUYQASA-N	312.413	3.331	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@@H]1C	840717710	HYBOEFGWCZDRQX-XCRHUMRWSA-N	320.452	3.311	10	20	DGCD	
c1cc(CNCc2ccc3c(c2)CCCO3)cc(N2CCCC2)n1	921517682	FCMKIFMQBQLGGG-UHFFFAOYSA-N	323.440	3.297	10	20	DGCD	
Oc1cccc2c1[C@@H](N[C@@H]1CCN(C3CCCCC3)C1)CC2	850538927	OGWGKIGDIHOKQL-WBVHZDCISA-N	300.446	3.376	10	20	DGCD	
COc1cccc(OC)c1CNCc1c(O)cccc1Cl	850355360	GUNXYZDFBAEFCB-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](C)C1	859048825	SICWMYWFXJSRTJ-CYBMUJFWSA-N	310.397	3.389	10	20	DGCD	
Cc1nnc(CN(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)o1	855567868	BZXGQKWVYLSWQM-UHFFFAOYSA-N	324.384	3.058	10	20	DGCD	
COc1ccc(N(C)Cc2cc([N+](=O)[O-])ccc2OC)cc1F	757851578	APOPDUDKUYYHNK-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C=CCC2)cc1	852513058	SPBJSVIFBFLTCN-MRXNPFEDSA-N	301.434	3.393	10	20	DGCD	
COC1CCN(C(C)(C)CN[C@H](C)c2cc(C)ccc2O)CC1	756556997	ZGFGZZWDDKTNQU-OAHLLOKOSA-N	320.477	3.241	10	20	DGCD	
COc1cccc(OC)c1CN[C@H](C)c1ccc(F)cc1O	850505607	TZLQYLGIDSFXJB-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1nc[nH]c2nccc1-2	854374389	SKEJBQHOJJGSOP-UHFFFAOYSA-N	324.384	3.058	10	20	DGCD	
Cc1ccccc1CNCc1ccc(N2CCC(O)CC2)cc1	850405452	OGISLSRYQVRYQD-UHFFFAOYSA-N	310.441	3.246	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1coc(C=O)c1	930302073	GWCDIIXORBZDGM-UHFFFAOYSA-N	314.385	3.209	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC(F)(F)C1	763703993	AHRDYRCWNHBWDS-ZDUSSCGKSA-N	311.376	3.082	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C2(c3cccnc3)CCCC2)c1	862755687	JWNXUZCAYLBJCE-UHFFFAOYSA-N	310.397	3.224	10	20	DGCD	
CCN(CCCN(C)Cc1ccccc1O)CC(F)(F)F	771762977	RGHRGFBAEBJYLQ-UHFFFAOYSA-N	304.356	3.098	10	20	DGCD	
COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2O)cc1	879648600	VRJUHOXNCRRVID-CHWSQXEVSA-N	314.385	3.079	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCc2ccn(C)n2)cc1	779141064	GFEOXXVVFJXSSU-UHFFFAOYSA-N	309.369	3.185	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)c1O	775016096	NZTATAILVIYSHS-GMXVVIOVSA-N	308.378	3.223	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C(C)C)[C@H](O)c2ccccc2)c1	789778166	FUDXGDUDNBIKBY-RTBURBONSA-N	315.413	3.249	10	20	DGCD	
C[C@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1c(O)cccc1F	886506206	GWLWJIHJLSOFNY-WDEREUQCSA-N	320.330	3.066	10	20	DGCD	
CC(C)N1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1=O	780793292	KZJRMVRHFRBCMY-UHFFFAOYSA-N	324.424	3.112	10	20	DGCD	
CC[C@H](N[C@@H](COC)[C@H]1CCCO1)c1cc(Cl)ccc1O	788618447	FWVJJAQTEDPKMD-OFQRWUPVSA-N	313.825	3.280	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCc3ncsc3C2)c1	783546492	KMSSCPPZUBMLTC-UHFFFAOYSA-N	318.442	3.410	10	20	DGCD	
O=C(CSc1ccccc1Cl)NCc1ccccc1O	701128752	JFOZEVFDAFBVBT-UHFFFAOYSA-N	307.802	3.454	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@@H](C)NC(=O)C(C)(C)C)cc1C	1135987801	IOEJVIJGFCVYRV-HUUCEWRRSA-N	320.477	3.423	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2COc3cc(F)cc(F)c32)c1O	894448955	NQITWVQMXMEGFN-ZDUSSCGKSA-N	321.323	3.211	10	20	DGCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1OC(F)F	790524863	CUOMGRCRMFPWIB-VIFPVBQESA-N	323.295	3.190	10	20	DGCD	
CC[C@@H](CCO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796311477	GVVASGXJKFICHJ-FQEVSTJZSA-N	324.468	3.500	10	20	DGCD	
COc1ccc(CNC(=O)NCc2ccc(Cl)cc2)c(O)c1	792760869	CRZQKQCBVXIFLX-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
c1ccc([C@H]2CNCCN2Cc2ccc(N3CCCC3)cc2)cc1	1210197156	XYUFXRKDWSMBDU-OAQYLSRUSA-N	321.468	3.433	10	20	DGCD	
C[C@H](NCCC(=O)N1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1	1319849240	PRCPFQKJBCLYMK-CVEARBPZSA-N	317.477	3.052	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)c(F)c1	1321451046	VPHQSQNEMXLUIG-MRVPVSSYSA-N	309.724	3.381	10	20	DGCD	
COC1CCC(CCN[C@H](C)c2cc(C(=O)O)ccc2O)CC1	1610234698	QJYZUJMVYSNHBO-DNOWBOINSA-N	321.417	3.336	10	20	DGCD	
Cc1cc(C)c(S(=O)(=O)Oc2ccc(N)cc2)c(C)c1F	1579577655	WGWPVJLWPKDORX-UHFFFAOYSA-N	309.362	3.101	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H](C)[C@H]3C[C@H]3C(=O)O)cc2)CC1	1594434228	HMJGOMTZLCZBBR-ZTFGCOKTSA-N	316.445	3.122	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1cc(C(=O)O)c(C)n1C	1595890754	CHKBCXVFSWDTSR-UHFFFAOYSA-N	316.401	3.150	10	20	DGCD	
COc1ccc(N(Cc2cncc(C(=O)O)c2)C(C)C)cc1F	1599587217	YCANOCLIZGCDDC-UHFFFAOYSA-N	318.348	3.343	10	20	DGCD	
CN(C[C@]1(C)CC1(Cl)Cl)c1ccc(OCC(=O)O)cc1	1598443055	ZTQYSFYTJHVJQQ-ZDUSSCGKSA-N	318.200	3.170	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CCC[C@H]2C)cc1	1776861171	JWIQEYORFKKQOR-RDTXWAMCSA-N	304.434	3.266	10	20	DGCD	
CCN(C)c1ccc(CNCCCC(C)(C)C(=O)O)c(C)c1	1776856293	DZKRPOFWKFWRCU-UHFFFAOYSA-N	306.450	3.432	10	20	DGCD	
COCC(C)(C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	160767905	OEABPAGIDMYWMJ-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CC(C)(C)c1cnc(SCC(=O)NCc2cccnc2)s1	164346031	BUELECBGRDNYEY-UHFFFAOYSA-N	321.471	3.244	10	20	DGCD	
CCOCCC1(C(=O)NCc2cccc(OC)c2O)CCCC1	155680837	HIVXRBDKCCWPNB-UHFFFAOYSA-N	321.417	3.004	10	20	DGCD	
CC1(C)C[C@@H](NCc2ccc(Br)cc2O)CCO1	701145074	XKIOPMSJSXKXNF-LBPRGKRZSA-N	314.223	3.202	10	20	DGCD	
CCc1cccc(CNCc2cnn(Cc3ccccc3)c2)c1O	691455006	RJXRQPUKVFQSSM-UHFFFAOYSA-N	321.424	3.489	10	20	DGCD	
CC(C)(C)OCCCNCc1cccc(Br)c1O	695294786	MJWHRTTWYLSSBG-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
Oc1cccc2c1CC[C@@H]2NCc1ccc(N2CCOCC2)cc1	105487222	GNWIDNIJLGYLMA-IBGZPJMESA-N	324.424	3.006	10	20	DGCD	
O=C(CSC(F)(F)F)NCc1c(O)ccc2c1CCCC2	174511540	CSBKYRCISVDEDM-UHFFFAOYSA-N	319.348	3.140	10	20	DGCD	
COc1cc(OC)c(OC)cc1CNCc1cc(C)ccc1O	113314333	BUXNQZZVVSDXMK-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C(C)(C)c2ccccc2)cc1F	60214242	CSYBTWRBDHTZMJ-UHFFFAOYSA-N	314.404	3.486	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)s1	173514822	TZLSYPDHNCXAKY-DFVUYQKZSA-N	318.373	3.418	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	68017117	KMJMCVFYOUSPAJ-CQSZACIVSA-N	318.486	3.292	10	20	DGCD	
Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1-c1ccc(F)cc1	39538326	ZVYYMMJBENATIK-CYBMUJFWSA-N	316.376	3.094	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](C)c3cccc(O)c32)c(O)c1O	186343159	ICCIIZWMFPTNHD-JTQLQIEISA-N	313.353	3.266	10	20	DGCD	
CC[C@H](C)[C@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	183257198	SRGIHZBUSMVFPD-HOTGVXAUSA-N	318.461	3.416	10	20	DGCD	
CCOC(=O)Cc1sc(-c2ccc(N(C)C)cc2)nc1C	314698501	SQUCGHMGHNPSJS-UHFFFAOYSA-N	304.415	3.290	10	20	DGCD	
C[C@@H](NCCOc1ncccc1Cl)c1ccc(F)cc1O	186106996	WIYYGTDTWZAKGA-SNVBAGLBSA-N	310.756	3.309	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(F)cc1O	186147493	HAHLJPCXWLSRIU-GDZNZVCISA-N	303.377	3.174	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(N(C)C)cc1	227689277	SQTGKCDANSEYRX-KBPBESRZSA-N	321.465	3.316	10	20	DGCD	
C[C@@H](NCc1cccc(Br)c1O)c1cccnc1	42411780	WYVUQCLNZKUDAS-SNVBAGLBSA-N	307.191	3.401	10	20	DGCD	
C[C@H](O)[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	136825201	KXVHPJKKOAEFOO-WMZOPIPTSA-N	302.462	3.270	10	20	DGCD	
CON(C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	192374392	JYLDLOIAQUDUTC-UHFFFAOYSA-N	305.422	3.158	10	20	DGCD	
C[C@H](NC1CCN(C2CCC2)CC1)c1ccc(N(C)C)cc1	269013671	ODMCAZKFAUPANT-HNNXBMFYSA-N	301.478	3.420	10	20	DGCD	
COC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1	273610912	VTVFBHRIDKKGAY-RISCZKNCSA-N	320.345	3.240	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1	368211265	CUSGEGWBHBEPNB-YMTOWFKASA-N	321.323	3.463	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CC2(CCC2)[C@H]1c1ccccc1	294199733	ORMRNJQYNKBCOQ-QGZVFWFLSA-N	309.365	3.465	10	20	DGCD	
OC[C@@]1(c2ccccc2)CCN(Cc2c(O)cccc2Cl)C1	291333803	UYRHXCPECYUEHP-GOSISDBHSA-N	317.816	3.182	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@H]2CCOC3(CCOCC3)C2)c(O)c1	815596951	JCGYPUCXAOIINA-HOTGVXAUSA-N	319.445	3.388	10	20	DGCD	
COC1([C@H](C)N[C@H](C)c2ccc(C)c(C)c2O)CCOCC1	817589058	SZFTUFLLJYPQOB-CABCVRRESA-N	307.434	3.244	10	20	DGCD	
CC(C)(CO)[C@H](NCc1c(O)ccc(Cl)c1F)C1CC1	811518607	MLJUPHZDICCVBE-CQSZACIVSA-N	301.789	3.071	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCCc2c(F)cc(F)cc21	729357965	AQKCAWYNBFNDTF-ARJAWSKDSA-N	318.298	3.492	10	20	DGCD	
CC(C)c1ccc(C(=O)N[C@H](C)c2ccccc2O)c(O)n1	828538956	GBMOKSQVXSLUGS-LLVKDONJSA-N	300.358	3.107	10	20	DGCD	
Cc1cc(O)c(CN2CCCC[C@H]2C2OCCO2)cc1Cl	824682567	IBAYVYUGUZFVOL-AWEZNQCLSA-N	311.809	3.081	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2ccsc2)c1	728985326	WMCKTUUZQJFAEP-NSHDSACASA-N	305.399	3.272	10	20	DGCD	
Cc1ccc(O)c(CN2CCOC[C@@H]2c2ccc(F)cc2)c1	825046365	SIKDOSWWZSMERF-QGZVFWFLSA-N	301.361	3.413	10	20	DGCD	
CN1CCN(c2ccc(CNc3cc(Cl)ccn3)cc2)CC1	905415001	SQKVAOOTBLVCRA-UHFFFAOYSA-N	316.836	3.099	10	20	DGCD	
Oc1ccc(F)cc1CN1CC(Cc2ccc(F)c(F)c2)C1	839143724	JXECYGRZJUUWHC-UHFFFAOYSA-N	307.315	3.484	10	20	DGCD	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(O)cs2)cc1C	732354619	ORLBZEJIIHJNEB-LLVKDONJSA-N	319.382	3.255	10	20	DGCD	
CC[C@H]1CC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	839145544	PZQWGNRCRKCODF-XJKSGUPXSA-N	310.388	3.080	10	20	DGCD	
Cc1nc(NCc2ccc(N(C)Cc3cccs3)cc2)n[nH]1	834475315	QPYZXCYDPJIHQU-UHFFFAOYSA-N	313.430	3.423	10	20	DGCD	
CN(C)C(=O)C[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1	834530075	AUOVEOBHADBAIN-SJORKVTESA-N	324.424	3.189	10	20	DGCD	
C[S@](=O)Cc1ccc(CN[C@@H]2CCc3cccc(O)c32)cc1	834799244	XQNAJHBXLRGSHV-ZHRRBRCNSA-N	315.438	3.048	10	20	DGCD	
CC1=C(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCCO1	839918510	AJOHSWDZECBTLK-CQSZACIVSA-N	316.445	3.193	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@H]2CC(=O)N(C3CC3)C2)c1O	846207097	YIZXMKBKLVWJGQ-VXGBXAGGSA-N	322.836	3.016	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(C)CCNC(=O)OC(C)(C)C	840953010	KNBUTVCYEMHUJC-UHFFFAOYSA-N	321.465	3.018	10	20	DGCD	
CC(C)Oc1cc(NCCCSc2nccs2)ncn1	840261770	VAIDLKNWGMLGNV-UHFFFAOYSA-N	310.448	3.315	10	20	DGCD	
Cc1ncc(CN[C@@H](C)c2cc(Br)ccc2O)o1	840794896	RMJIGGMBBDZWDD-QMMMGPOBSA-N	311.179	3.302	10	20	DGCD	
COC(=O)c1ccnc(NCc2ccc(N3CCCC3)cc2)c1	915212077	WNPJGHFVOBFPSH-UHFFFAOYSA-N	311.385	3.081	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1	844353574	ZCMDFRSIGGQVFA-FQEVSTJZSA-N	324.424	3.399	10	20	DGCD	
COc1ccc(CNC[C@@H](Cc2ccccc2)C(=O)O)cc1C	841795255	PHRNPBVRWIXTAQ-QGZVFWFLSA-N	313.397	3.037	10	20	DGCD	
Cc1cc(C)c(C(=O)COC(=O)c2cccc(O)c2O)c(C)c1	758558871	NWIKMYMJNHADQJ-UHFFFAOYSA-N	314.337	3.063	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCc2ccco2)c1	850570238	ROYHQCLGNQNQSU-LBPRGKRZSA-N	303.358	3.055	10	20	DGCD	
COc1ccc(N(CC(C)C)C(=O)/C=C\c2cn(C)cn2)cc1	931106673	PKBSLPHXNRSYEM-YHYXMXQVSA-N	313.401	3.131	10	20	DGCD	
CC(C)(CC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1	868061384	KIPDRAGXCGORCD-UHFFFAOYSA-N	300.377	3.392	10	20	DGCD	
CCc1ccccc1OCCC(=O)NCc1cc(C)ccc1O	862756149	REIBJPJIZKLNCN-UHFFFAOYSA-N	313.397	3.348	10	20	DGCD	
CCOc1cccc(CN(C)[C@H]2CCN(CC)[C@@H](C)C2)c1O	769470052	JIDRSGLZVGVYHW-HOCLYGCPSA-N	306.450	3.096	10	20	DGCD	
COc1ccc(N(C)Cc2cccc(OC)c2O)cc1OC	761222379	PZWFAYNXWGMZFB-UHFFFAOYSA-N	303.358	3.054	10	20	DGCD	
CN(C(=O)Cc1csc(C(C)(C)C)n1)c1ccc(N)cc1	877077648	PZPJKULISMZVRK-UHFFFAOYSA-N	303.431	3.228	10	20	DGCD	
CC(C)CCn1nccc1NC(=O)N(C)Cc1ccccc1O	779471507	RFDAUQFJVFTSNQ-UHFFFAOYSA-N	316.405	3.299	10	20	DGCD	
CC(C)Nc1ccccc1NCC(=O)N1C[C@H](C)C[C@@H](C)C1	871847848	XXPWSKXXZGYFRX-HUUCEWRRSA-N	303.450	3.423	10	20	DGCD	
COc1cccc(O)c1CNc1cccc(-c2nnc(C)n2C)c1	772952210	IFWMQEWRRZNHBE-UHFFFAOYSA-N	324.384	3.117	10	20	DGCD	
O=C(O)C1(NCc2c(O)ccc(Cl)c2F)CCCCC1	789898469	VJGDTAODBJZWJM-UHFFFAOYSA-N	301.745	3.062	10	20	DGCD	
COc1ccc(CN(Cc2ccco2)C(C)C)c(O)c1OC	891587657	XEAOETZYDOUPQM-UHFFFAOYSA-N	305.374	3.413	10	20	DGCD	
CC1=C(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	796018152	OIXZNGNCSRORJA-UHFFFAOYSA-N	304.409	3.204	10	20	DGCD	
CC[C@@H](NCCCNc1ncccn1)c1ccc(C)cc1O	794810625	MIQNUYYHLQYRFE-OAHLLOKOSA-N	300.406	3.034	10	20	DGCD	
CC[C@H](CSC)NCc1c(O)cccc1Br	706881733	ZUJQXCXPRYTFFX-SECBINFHSA-N	304.253	3.386	10	20	DGCD	
CCOCc1cc(CNC2(CCOC)CCC2)ccc1OC	793330342	WOQJXCYVZPTHFT-UHFFFAOYSA-N	307.434	3.281	10	20	DGCD	
COc1ccncc1CNCc1cc(Cl)cc(Cl)c1O	688916609	ZAOMACTUZPNUIZ-UHFFFAOYSA-N	313.184	3.392	10	20	DGCD	
Cc1cc(CNCc2ccc(N3CCCC3)cc2)oc1C(=O)O	1607648533	MTPFFNVLBUEJJA-UHFFFAOYSA-N	314.385	3.176	10	20	DGCD	
Cc1cccc(CN[C@@H](C)[C@@H](Cc2ccccc2)C(=O)O)c1O	1600532644	XNASOUTWKKAUJR-WMLDXEAASA-N	313.397	3.122	10	20	DGCD	
CC[C@@H](NCc1ccc(C(=O)O)cc1)c1ccc(F)cc1O	1589569863	LRALIVLWZLAPQX-OAHLLOKOSA-N	303.333	3.470	10	20	DGCD	
COc1cc(Cl)cc(CNc2cccc(CC(=O)O)c2)c1O	1594058919	OLKNAVLFOGLQAO-UHFFFAOYSA-N	321.760	3.293	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)c1ccncc1	1595278121	ACDFZNLUWSCKRP-XHDPSFHLSA-N	300.358	3.287	10	20	DGCD	
COc1ccc2c(c1)CCN2[C@@H](C(=O)O)c1ccc(F)cc1	1777373325	MHUDODCHUCKVLW-MRXNPFEDSA-N	301.317	3.023	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2CC[C@](C)(C(=O)O)C2)c(C)c1	1776856931	WTWAIMRIHHJSNF-QAPCUYQASA-N	304.434	3.184	10	20	DGCD	
CCC1CCN(C(=O)NCCCSc2nccs2)CC1	154641525	OEOPJQGSQWCXDM-UHFFFAOYSA-N	313.492	3.457	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCc2nc3ccccc3o2)cc1	8171819	JCIGNKKRISCJKM-UHFFFAOYSA-N	323.396	3.143	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccsc1	52851235	PTVOAARAQIVYKR-UHFFFAOYSA-N	302.443	3.405	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCCCSc2nccs2)[C@H]1C	177853170	FNMRQOJWFADWLZ-RYUDHWBXSA-N	313.492	3.455	10	20	DGCD	
CCCC(=O)NC[C@@H]1CCCN(Cc2cc(C)c(C)cc2O)C1	101905969	GQHCNWKIOYNRRB-INIZCTEOSA-N	318.461	3.137	10	20	DGCD	
COc1cccc(CNC(=O)C2(c3ccccc3C)CC2)c1O	105650372	YLKWNQBUARJIHX-UHFFFAOYSA-N	311.381	3.057	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1nc(O)c2ccccc2n1	301258164	DVQWZAVRIVRXKT-UHFFFAOYSA-N	308.385	3.322	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1F	73915808	UFXRULGUWBASAK-ZBFHGGJFSA-N	319.424	3.366	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)c2ccc(C)cc2)c1O	73781647	PHKQWNFLDPKHFQ-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccnn3C)S2)c1	45110721	FCBLYRJVCVIQOC-ZROIWOOFSA-N	312.398	3.119	10	20	DGCD	
COc1cccc([C@H](CNCc2cccc(C)c2O)OC)c1	529639277	PSLJZGSNIQSYEV-KRWDZBQOSA-N	301.386	3.187	10	20	DGCD	
COc1cccc(CNC(=O)/C=C\Sc2ccccc2)c1O	255285741	FFLIYBNQLQYZFM-KHPPLWFESA-N	315.394	3.323	10	20	DGCD	
Oc1ccccc1CNCc1nn(-c2ccccc2)c2c1CCC2	263679190	MDOJTXRNQYLTLR-UHFFFAOYSA-N	319.408	3.356	10	20	DGCD	
C[C@H](CCNCc1cc(Cl)cc(Cl)c1O)CC(=O)O	277209659	HBZYRPPRLITJTK-MRVPVSSYSA-N	306.189	3.290	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCCOC(C)C)c1	273395261	FILWDUWNESKRKW-CYBMUJFWSA-N	309.406	3.035	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(F)nc1	282465216	KGBCIGBTWPFOBR-UHFFFAOYSA-N	302.349	3.369	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H]1CCOC1	283549352	DTSJVWSMZZDFMZ-ZBFHGGJFSA-N	320.433	3.129	10	20	DGCD	
Cc1noc([C@H]2CCCN2Cc2ccc(N(C)C)c(C)c2)n1	293635713	RJSAFRRFAOTFON-MRXNPFEDSA-N	300.406	3.090	10	20	DGCD	
COC(=O)c1cccc(CNCc2cc(Cl)ccc2O)c1	809729885	RFLVYNVWVYRPGM-UHFFFAOYSA-N	305.761	3.122	10	20	DGCD	
COC(=O)CCC(C)(C)NCc1cc(Cl)c(F)cc1O	816569887	ZVNCFLTYIFOYTF-UHFFFAOYSA-N	303.761	3.006	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nc(C)no1	817299029	SLBLHVGIQKNNJQ-AWEZNQCLSA-N	301.390	3.222	10	20	DGCD	
C[C@@H](N[C@@H]1CC12CCNCC2)c1cc2c(cc1O)CCCC2	817977046	ZRSVSBLIYSGKIP-FZKQIMNGSA-N	300.446	3.064	10	20	DGCD	
COc1cccc(C2(CNCc3c(O)cccc3OC)CC2)c1	810157292	NZSXCRVJAZGKCV-UHFFFAOYSA-N	313.397	3.231	10	20	DGCD	
CC[C@@H](NCCc1ccc(N)cc1)c1ccc(C(=O)OC)cc1	817957680	OAKOSJBTHSYIRJ-GOSISDBHSA-N	312.413	3.339	10	20	DGCD	
CC[C@@H]1CN(Cc2c(O)ccc3ccncc23)C[C@@H](CC)O1	817366201	PZYUDUOTMGBCHZ-HUUCEWRRSA-N	300.402	3.330	10	20	DGCD	
CCN1CC[C@H](CN[C@@H](C)c2cccc(C(F)(F)F)c2O)C1	815560716	NYFNUEYFTAZFIK-NWDGAFQWSA-N	316.367	3.403	10	20	DGCD	
C[C@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)CN(C)C	813785909	HXQUKVSMNNLJNE-GFCCVEGCSA-N	317.399	3.059	10	20	DGCD	
CCn1ccnc1[C@H](C)NCc1cccc(Br)c1O	825006183	ZILJMXFOEKWCBS-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
COc1cccc(C(=O)NCCCSc2nccs2)c1C	827475380	ZKEGNFAXAVLTDI-UHFFFAOYSA-N	322.455	3.372	10	20	DGCD	
CC[C@@H]1C[C@H](NCc2ccc(N3CCSCC3)cc2)CCO1	823666800	SALOMTXOHXRAEF-SJLPKXTDSA-N	320.502	3.287	10	20	DGCD	
Cc1ccc([C@@H](C)[C@H](O)C(=O)N[C@H](C)c2ccccc2O)cc1	827941320	QFNBNZCUQTWZIP-LBTNJELSSA-N	313.397	3.042	10	20	DGCD	
C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc3ccccc3c2O)C1	826910312	FAQMZXHRGSWXDX-MCFFVMPBSA-N	317.454	3.325	10	20	DGCD	
Cc1ccccc1-c1noc(COC(=O)c2cc(O)cs2)n1	732353914	WRXPMNIZWMBWIY-UHFFFAOYSA-N	316.338	3.169	10	20	DGCD	
Cn1cccc1C(=O)CN(Cc1ccccc1O)C1CCCC1	731846086	QUFNOOXTURVLBD-UHFFFAOYSA-N	312.413	3.358	10	20	DGCD	
CCOc1ccc(N(C)Cc2nc(-c3ccccn3)no2)cc1	739923164	YOODZOIUVQNMMS-UHFFFAOYSA-N	310.357	3.167	10	20	DGCD	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Cc1ccc(N)cc1	831267832	QAJDJJCQBDSILA-NSHDSACASA-N	316.351	3.235	10	20	DGCD	
COc1cc(CN2C[C@@H](C)OC3(CCCC3)C2)c(O)cc1C	842644224	DUXVQVZGLUQYKO-CQSZACIVSA-N	305.418	3.243	10	20	DGCD	
CC(C)C1CCC(NC(=O)NCCc2ccc(N)cc2)CC1	841861218	XBMRUZHUJRLADW-UHFFFAOYSA-N	303.450	3.325	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1	841894806	VVULWKLLXLTLDE-SAABIXHNSA-N	309.413	3.057	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1ccccc1	742952572	MCSOENRPQPTLKO-DHZHZOJOSA-N	308.381	3.191	10	20	DGCD	
CCc1cccc(CNc2cnn(C3CCOCC3)c2C)c1O	848914997	WLPIVFSUIYJNMF-UHFFFAOYSA-N	315.417	3.423	10	20	DGCD	
O=C(O)c1ccc(CNCCCSc2nccs2)cc1	840994611	VESJSSPBEAVDPU-UHFFFAOYSA-N	308.428	3.113	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@H](C)N(C)C)c1	749571549	YKHFQBIYTKNDRT-INIZCTEOSA-N	313.445	3.082	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2ccc(N(C)CCO)cn2)c(O)c1C	756844528	JTCJDRMPEAHYKV-CQSZACIVSA-N	315.417	3.006	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@H]2COCc3ccccc32)cc1F	858179584	OYPXPPMYXLHTJF-KRWDZBQOSA-N	318.367	3.392	10	20	DGCD	
C[C@H](NCCOC[C@@H]1CCOC1)c1ccc2ccccc2c1O	756562083	FTZAGCLPUXMWPZ-LSDHHAIUSA-N	315.413	3.249	10	20	DGCD	
C[C@H](NCCCN1CCCC[C@H]1C)c1cc([N+](=O)[O-])ccc1O	756363663	QCZQDTLRLTUVAM-KGLIPLIRSA-N	321.421	3.216	10	20	DGCD	
Cc1ccc(CO[C@H](C)C(=O)NCc2cc(C)ccc2O)cc1	862754135	RZKCSNOTRKNGQJ-OAHLLOKOSA-N	313.397	3.231	10	20	DGCD	
CCCN(CC(=O)OCC)Cc1cc2c(cc1O)CCCC2	768442725	NFKYOFZDDUIHHS-UHFFFAOYSA-N	305.418	3.046	10	20	DGCD	
Cn1ccc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)c1	763284322	UBYRRCLTZNBIQK-GHXNOFRVSA-N	320.464	3.488	10	20	DGCD	
CCOc1ncc(C(=O)NCc2cc(C)ccc2O)cc1Cl	862759857	JFCJYEPUXITNRH-UHFFFAOYSA-N	320.776	3.078	10	20	DGCD	
CN(C)c1ccc(CN2CCN(Cc3ccsc3)CC2)cc1	768209032	XKEGZPYYVIUKAA-UHFFFAOYSA-N	315.486	3.132	10	20	DGCD	
C[C@@H](NC[C@@H]1CN(C2CCCCC2)C(=O)O1)c1ccccc1O	879650311	SVNGJWLTQYWAIL-UKRRQHHQSA-N	318.417	3.196	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@]1(CO)C[C@H]1c1ccc(F)cc1	877476485	FZIXITUIGSEABM-PKOBYXMFSA-N	315.388	3.096	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2CCCC[C@H]2N(C)C)c1O	1116583659	NDZMJHLLLGQKAG-ZIAGYGMSSA-N	312.841	3.017	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H](CO)CC(F)(F)F)cc1	773108302	WAGLRRNQTQIFOO-DGCLKSJQSA-N	304.356	3.107	10	20	DGCD	
CC(C)CC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779533117	WLVBWFVNTIPWPQ-GQCTYLIASA-N	303.402	3.396	10	20	DGCD	
CC[C@@H](C)NC(=O)CCN[C@H](CC)c1cc(Cl)ccc1O	775488553	IXKGPXXSJCDUEZ-BXUZGUMPSA-N	312.841	3.391	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1nn(C)c2ccccc12	771934843	BUJUXGTYHGHTCK-UHFFFAOYSA-N	308.429	3.271	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2ccc(C)n(C)c2=O)cc1	786939996	XRTWUEPGWDIANS-OAHLLOKOSA-N	313.445	3.001	10	20	DGCD	
CC1(C)CC(CNCc2ccc(N3CCOCC3)c(F)c2)C1	780592504	YWQOAIMWEVWOBQ-UHFFFAOYSA-N	306.425	3.188	10	20	DGCD	
COc1ccc(CNC(=O)CCc2cccc(Cl)c2)c(O)c1	794370926	SMYPHHPAVGXEOV-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
C[C@H]1C[C@@H](CCNCc2c(O)ccc(Cl)c2F)CCO1	790986266	LJEWPRGPIMVQBB-QWRGUYRKSA-N	301.789	3.480	10	20	DGCD	
CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(O)ccc1O	1318851708	VNXWRTLWJFOBLX-MRXNPFEDSA-N	318.417	3.031	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc([C@@H]2[C@H]3CCCC[C@H]32)n1C	1338596203	BSEUALXWRDRWJD-FOLVSLTJSA-N	312.417	3.061	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)Nc1c(Cl)ccc2nonc12	1334716088	JIRPPIYHTLSNFV-SNAWJCMRSA-N	320.761	3.293	10	20	DGCD	
C[C@@H](NCCc1ccc(Cl)nc1)c1cc(C(=O)O)ccc1O	1593274773	NWGDJGBTNNTNPA-SNVBAGLBSA-N	320.776	3.032	10	20	DGCD	
C[C@H]1CCN(C(=O)NCCCSc2nccs2)C[C@H]1C	163410067	DQSUJOTXLUUEPD-NWDGAFQWSA-N	313.492	3.313	10	20	DGCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c(C)c1C	151871675	OOHHAKBBPVPPHA-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)Cc1nccn1C(F)F	155005165	FLQHRZIPFAMSLD-UHFFFAOYSA-N	301.724	3.269	10	20	DGCD	
CC[C@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O	156780772	NNRFVIFKOUESMJ-UKPHBRMFSA-N	307.459	3.488	10	20	DGCD	
CCN(Cc1cc(Br)cc(C)c1O)C[C@H](C)OC	383337929	HAUXVBMXDKEVEG-NSHDSACASA-N	316.239	3.320	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC=CCC2)c1	103611353	KFNMDKFDFRGFOU-STQMWFEESA-N	304.390	3.117	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2csc(C3CC3)n2)c1	170900543	CQBYELLPIBEIQY-SECBINFHSA-N	318.398	3.226	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCOCC(F)(F)F	111637274	NTTVRAKXCADQSR-MNOVXSKESA-N	303.324	3.417	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc(Cl)n1	170732376	BZPZDQFKYAJOAD-UHFFFAOYSA-N	304.777	3.493	10	20	DGCD	
CCOC(=O)C1CCC(NCc2c(O)cccc2Cl)CC1	127310168	WOYGQPZAGSMRBT-UHFFFAOYSA-N	311.809	3.257	10	20	DGCD	
CCCC1(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)CC1	125579597	XPDKMQPRYBNBPL-GFCCVEGCSA-N	306.406	3.341	10	20	DGCD	
CN(Cc1ccn(-c2ccccc2F)n1)Cc1ccccc1O	189187794	HEQLRAYWVYXCNL-UHFFFAOYSA-N	311.360	3.349	10	20	DGCD	
COc1cccc(CNC(=O)c2cc(C)nc3ccccc23)c1O	75650707	HJKWGJBKIWTZIU-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(F)c1	181221541	IFMAIOIZEFBOPJ-UHFFFAOYSA-N	315.348	3.323	10	20	DGCD	
O=C(CCCc1ccccn1)NCc1c(O)ccc2c1CCCC2	75160105	GJDPGUYEOHAETK-UHFFFAOYSA-N	324.424	3.305	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C)cc2O)cc1	184948782	KQTVFQDLGZFMBV-UGSOOPFHSA-N	301.386	3.093	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c1O	73439961	IPEAMEICJYAWLN-BZPMIXESSA-N	306.406	3.025	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CCC[C@H](C)CC2)c1O	190967353	UZILXRLATBJVHT-JSGCOSHPSA-N	306.406	3.169	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)CCCO)c2C)c1	268205216	GVXUVPRKHJHQQR-AWEZNQCLSA-N	314.429	3.293	10	20	DGCD	
CCN(CC)c1ccc(CNC(C)(C)c2noc(C)n2)cc1F	265808972	VMMDYFSEBSCROS-UHFFFAOYSA-N	320.412	3.388	10	20	DGCD	
CCS[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1	267356734	RYJZPGCJKVTTPZ-ZIAGYGMSSA-N	308.447	3.256	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(N(C)C)cc2)c1	273456961	PTSSWTVRCNJUCF-GFCCVEGCSA-N	314.385	3.418	10	20	DGCD	
COCc1ccccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273299374	AZCVLIVDVAEIAO-GFCCVEGCSA-N	316.357	3.298	10	20	DGCD	
C[C@H](OC(=O)c1cccc(O)c1O)c1nccn1-c1ccccc1	805532905	UWQUHECZEWRSAP-LBPRGKRZSA-N	324.336	3.202	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC2(CCOCC2)[C@@H]1C1CC1	293560535	GAVDREBGPQNDPS-INIZCTEOSA-N	307.821	3.437	10	20	DGCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)c1c(F)cccc1F	393390467	QCSDTQYERJBZFH-SECBINFHSA-N	307.296	3.250	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3cc(C)cn3c2)c1	806791467	FRVMHJMECGBPFW-CYBMUJFWSA-N	324.380	3.453	10	20	DGCD	
C[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)Nc1ccccc1	816549011	ADWWJRMFGSICPZ-SNVBAGLBSA-N	322.767	3.302	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)Cc2ccc(F)cc2)cc1F	815061431	VAIDSQOKHBNJRA-OAHLLOKOSA-N	307.340	3.013	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](c3cccnc3)C2)c1O	829506940	XMRWJDQCIFNSEA-AWEZNQCLSA-N	314.360	3.118	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@@H]2C[C@@H](OC)C23CCC3)c1	825104225	RINBYMGHYWOTRW-IAGOWNOFSA-N	305.418	3.180	10	20	DGCD	
COc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	824162340	YAFOROADXGAYSG-GFCCVEGCSA-N	314.389	3.039	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCc2cc(Br)ccc21	731871400	JRFWJUKPFJYHIG-UHFFFAOYSA-N	324.199	3.419	10	20	DGCD	
CN(C)c1ccc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1F	830636094	VFPYCYJIEKGUMF-KMFMINBZSA-N	320.408	3.109	10	20	DGCD	
CC[C@H](NC(=O)NCc1cc(OC)ccc1O)c1ccccc1	734068204	WDKMBAYQQUEMJQ-INIZCTEOSA-N	314.385	3.351	10	20	DGCD	
Cc1ccc(C[C@@H](CO)NCc2cccc(Cl)c2O)cc1C	835072179	CGLPNTUOXIPPRI-INIZCTEOSA-N	319.832	3.356	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc3ncccc3c2)cc1	841040101	IKKCVFXCIRDMSA-LJQANCHMSA-N	320.440	3.090	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](c2cccs2)N(C)C)c1O	846135726	FUEFSGAORLYPPR-JSGCOSHPSA-N	320.458	3.416	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCCc3sccc32)cc1	841876263	AGDRKWLBYQGLEF-OAHLLOKOSA-N	315.442	3.250	10	20	DGCD	
COc1cccc([C@H](C)NCCCCn2ccnc2C)c1O	846144568	HWUFHXPEMQYZHT-ZDUSSCGKSA-N	303.406	3.037	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN[C@H]1CCCN2CCCC[C@H]12	848575018	KSJJAOSNYFUUAW-UONOGXRCSA-N	312.816	3.291	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@H]2CCS[C@@H]2C)c1	842778898	ONDFGJYDJFBRCC-SKDRFNHKSA-N	316.264	3.447	10	20	DGCD	
C[C@@H](NC[C@H](CO)Cc1ccccc1)c1ccc(F)cc1O	756459573	PKWZZVYINZHPNY-UKRRQHHQSA-N	303.377	3.033	10	20	DGCD	
COc1cc(CNC[C@@H](OC)C(C)C)c(O)c(C(C)(C)C)c1	850167431	FWZLCVCAUNOUNK-MRXNPFEDSA-N	309.450	3.459	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN(CC2CC2)C1)c1cc(F)ccc1O	853240020	LOZBBPQQJBDKKR-UKRRQHHQSA-N	306.425	3.304	10	20	DGCD	
COc1ccc([C@@H]2C[C@H]2C(=O)NCc2cc(C)ccc2O)cc1	862753516	FGZNIUZYEZSRIF-DLBZAZTESA-N	311.381	3.129	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)c1ccccc1F	765755165	HJXJPCLQRNDXLQ-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
C[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N(C)C)c(F)c1	766658399	ZYDNSSXHVDAAFE-VIFPVBQESA-N	321.318	3.032	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2nccn2-c2ccccc2)c1	769787703	RQFXAJHOFSMLQI-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc[nH]1	760871707	WIYBQWZBQYTHHA-AWEZNQCLSA-N	314.433	3.373	10	20	DGCD	
Cc1cccc(F)c1NNC(=S)Nc1ccc2c(c1)OCO2	769763680	NZYNLNXELVSBLD-UHFFFAOYSA-N	319.361	3.176	10	20	DGCD	
CC(C)Nc1ccccc1NCC(=O)NCc1cccs1	871847882	ZAKVDJUXBRXPAC-UHFFFAOYSA-N	303.431	3.297	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCCCO)c1	1116164329	KJUUYTXULONHAO-UHFFFAOYSA-N	307.777	3.287	10	20	DGCD	
Cc1ccc(N2CCNC2=O)cc1NCc1c(C)cccc1O	877483124	LKXOJFRQHFJXDR-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC([C@H](O)C(F)(F)F)CC1	775725087	HHSIXEWKLLXVOB-ZDUSSCGKSA-N	323.742	3.181	10	20	DGCD	
Cc1ccc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(O)c1	877567322	JGAPWKJDFIZVJR-SJORKVTESA-N	301.430	3.482	10	20	DGCD	
C[C@H]1CC[C@@H](C)[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1	877077200	ZDILMFTUEVTDII-QWHZDKJVSA-N	302.462	3.172	10	20	DGCD	
Cc1cc(C)n(-c2ccc(CNCc3c(C)cccc3O)cn2)n1	876941280	DBDMZUNBRXCNBU-UHFFFAOYSA-N	322.412	3.188	10	20	DGCD	
CC[C@@H](NCCOC[C@H]1CCCO1)c1cc(Cl)ccc1O	775507393	MCIYJUZOTLDZIB-UKRRQHHQSA-N	313.825	3.282	10	20	DGCD	
CCc1oc2ccccc2c1CC(=O)NCCc1ccc(N)cc1	876527759	LJYLOULHQDMHKL-UHFFFAOYSA-N	322.408	3.479	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(O)(C(F)F)CC2)cc1	779208259	GDZLIXWQFGLJOF-UHFFFAOYSA-N	312.404	3.125	10	20	DGCD	
COc1ccc(CNCCO[C@@H]2CCCC[C@H]2C)c(O)c1OC	892580036	YVVYQTFNSWATRS-UKRRQHHQSA-N	323.433	3.094	10	20	DGCD	
COc1cc(C)cc(CNc2cccc(C(=O)N(C)C)c2)c1O	894117357	NLQXAUOARDKJRS-UHFFFAOYSA-N	314.385	3.023	10	20	DGCD	
COc1ccc(CNC[C@H](C)CC(F)(F)F)c(O)c1OC	894909954	LEQPBFJNTLQYBF-SECBINFHSA-N	307.312	3.088	10	20	DGCD	
COc1cc(C)cc(CNCC(C)(C)c2ccccn2)c1O	894873463	IQOROUVQCQRHGK-UHFFFAOYSA-N	300.402	3.172	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H](c1ccncc1)C1CC1)c1ccccc1O	898997510	BVARQHAFQVFYNS-SJKOYZFVSA-N	311.385	3.299	10	20	DGCD	
CSCC(C)(C)NCc1cc(Br)ccc1O	898305964	ZPHDIVIOZLJDTA-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
CC[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(C)cc1O	794815888	IJWYAIYUTNYYEB-SFHVURJKSA-N	324.424	3.227	10	20	DGCD	
Cc1cc(C(=O)O[C@@H](C)c2ccnn2C)c(C)n1-c1ccccn1	797009611	UESHVIWKANOYBE-AWEZNQCLSA-N	324.384	3.141	10	20	DGCD	
CC[C@H]1CCC[C@H]1C(=O)NCCNCc1ccc(OC)c(C)c1	1133442817	JXUPCFYMPIYVKA-DLBZAZTESA-N	318.461	3.036	10	20	DGCD	
CC[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1cc(Cl)ccc1O	798938241	ZUXILDJFWSQFPH-SMDDNHRTSA-N	310.825	3.097	10	20	DGCD	
CC(C)c1ncc(CN(C)Cc2c(O)ccc3ccncc23)cn1	799579902	KZLFXFCFAVALHQ-UHFFFAOYSA-N	322.412	3.486	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H](N2CCCC2)C1	133941921	GQLWMSJRJUNRDV-CYBMUJFWSA-N	315.244	3.369	10	20	DGCD	
CC[C@@]1(C)C[C@@H]1C(=O)NCCCNCc1ccc(OC)c(C)c1	1169766460	RHPSRGGBUICJCT-APWZRJJASA-N	318.461	3.036	10	20	DGCD	
CC[C@H](NC[C@@H](C)CNC)c1ccc(C(F)(F)F)cc1O	1326474172	TYYIPEGPXJPJNE-GWCFXTLKSA-N	304.356	3.307	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N(C)CCC(F)(F)F	1520730901	MYXVVOFEUMOCBG-UHFFFAOYSA-N	320.340	3.121	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)C2(CN)CCC2)cc1	1579673635	APICLCKFDFXISO-UHFFFAOYSA-N	311.429	3.048	10	20	DGCD	
COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)C2(C)CCC2)cc1C	1755247359	ATGUKPAORGCHSQ-LSDHHAIUSA-N	318.461	3.177	10	20	DGCD	
CC[C@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1O	1590461321	AWAUSKYHOHZLOS-WBMJQRKESA-N	323.400	3.374	10	20	DGCD	
COC(=O)N(C)c1ccc(NCc2cccc(OC)c2O)cc1	157408798	WIQWMLCHVIBSJS-UHFFFAOYSA-N	316.357	3.216	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCSc2ccccc2)c1	155956312	ZABHQTSVTJEPKN-UHFFFAOYSA-N	317.410	3.199	10	20	DGCD	
O=C1Nc2ccc(F)cc2/C1=C/c1nccn1CC(F)(F)F	178903226	FWHCWDZWIVKRMS-POHAHGRESA-N	311.238	3.077	10	20	DGCD	
C[C@@H](NC[C@H]1CCCS1)c1ccc(N2CCOCC2)c(F)c1	118945912	FTKBJADWNKZXIL-UKRRQHHQSA-N	324.465	3.209	10	20	DGCD	
CC(C)C[C@@H](CCO)CN[C@H](C)c1ccc(F)c(F)c1O	187742401	RJDVTBMTVBUYDT-VXGBXAGGSA-N	301.377	3.366	10	20	DGCD	
O=C(Nc1nc(-c2ccco2)cs1)c1cccc(O)c1O	186941650	DTDALLSXOVLMOF-UHFFFAOYSA-N	302.311	3.067	10	20	DGCD	
O[C@H](CNCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1	77325649	NZFIWYOZMISWCT-MRXNPFEDSA-N	303.789	3.098	10	20	DGCD	
CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc2ccccc2c1O	317323530	FRZMNKYJLYSNNY-STQMWFEESA-N	300.402	3.109	10	20	DGCD	
COc1cccc(OCCN[C@H](C)c2cc(OC)ccc2O)c1	182405052	ZVGSEFSVFBJEOM-CYBMUJFWSA-N	317.385	3.139	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCC2(SC)CC2)cc1	194911307	KUIXNZMQPIWONX-UHFFFAOYSA-N	321.490	3.228	10	20	DGCD	
CCC(CC)[C@@H](CN[C@@H](C)c1cc(OC)ccc1O)N(C)C	192953295	KVEUZDATKZKMMH-SUMWQHHRSA-N	308.466	3.418	10	20	DGCD	
CN(CCCn1ccnc1)Cc1cc(C(C)(C)C)cc(O)c1O	130590299	MEEHRINZFWXTRW-UHFFFAOYSA-N	317.433	3.114	10	20	DGCD	
Cc1ccc(S(=O)(=O)CCCSc2nccs2)cc1	91582983	ALQTYMZTKQSASG-UHFFFAOYSA-N	313.469	3.408	10	20	DGCD	
COc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)c(O)c1	436846630	IELAHTHBQIWJPS-UHFFFAOYSA-N	324.380	3.131	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	183511399	ZTTMKZAPVBBZKB-OLZOCXBDSA-N	306.406	3.052	10	20	DGCD	
Cc1c(CNC(=O)[C@@H]2C[C@H]2C(F)(F)F)n(C)c2ccccc12	451312922	KMTYFVQGZGJJRJ-VXGBXAGGSA-N	310.319	3.301	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(N)ccc2C)cc1	279863648	BSAOCYIUUQMONN-UHFFFAOYSA-N	311.429	3.353	10	20	DGCD	
CC[C@H](N[C@@H]1CCc2nc(C)ncc2C1)c1ccc(F)cc1O	367599894	ILCJFBRUNRWKKN-ZBFHGGJFSA-N	315.392	3.228	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1C	273467233	FAZRCQDNZUEZJI-JYJNAYRXSA-N	318.461	3.307	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CC2(CCC2)[C@@H]1C1CC1	367973531	PBZPJZLXYXOUDB-IBGZPJMESA-N	312.457	3.288	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)c1ccc2c(c1)CC(=O)N2C	272827773	HCCOOFAFPZWKDX-CHWSQXEVSA-N	310.397	3.323	10	20	DGCD	
Cc1cc(C(=O)NCCC[C@H](C)O)c(C)n1-c1ccc(F)cc1	279143335	OQOOVKFIRJSYFG-ZDUSSCGKSA-N	318.392	3.124	10	20	DGCD	
Cc1nc(C2(NCc3cc(F)ccc3O)CCCCC2)no1	272248714	BSQRUXVQEVANCU-UHFFFAOYSA-N	305.353	3.172	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]2c2ncon2)cc1F	371385290	WVTBZNBTNHFLHH-MRXNPFEDSA-N	318.396	3.392	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]2c2ncon2)cc1	371373602	NMKGJSSICVYZIC-INIZCTEOSA-N	300.406	3.253	10	20	DGCD	
CCN(CC)c1ccc(CNS(=O)(=O)CCC2CCC2)cc1	809809578	RXKXDOWHKPMREY-UHFFFAOYSA-N	324.490	3.142	10	20	DGCD	
CC(C)(CO)[C@H](NCc1cccc(Cl)c1O)c1cccnc1	293748059	WNINRRXVOCMLCG-MRXNPFEDSA-N	320.820	3.290	10	20	DGCD	
Cc1cc(O)c(CN2CCCC[C@H]2COC(=O)N(C)C)cc1C	809708480	CWFHBSPBKDDEAF-INIZCTEOSA-N	320.433	3.062	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(OCC)c1	808096889	KNXVBSJLDRMXOK-UHFFFAOYSA-N	320.385	3.207	10	20	DGCD	
Cc1ccc(NC(=S)NCc2ncccc2N(C)C)cc1F	811709583	BNIBBCLSSSBZGS-UHFFFAOYSA-N	318.421	3.082	10	20	DGCD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCc1cc(Cl)c(F)cc1O	816555144	VJZZNZPZNUWYFT-KMUNFCNLSA-N	313.800	3.478	10	20	DGCD	
C[C@@H]1Cc2ccccc2[C@H]1NC[C@H](N)c1ccc(N(C)C)cc1	817940728	HMYZVRCSHRITFZ-UAOJZALGSA-N	309.457	3.276	10	20	DGCD	
Cc1cc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1N(C)C	815055754	MIEVLLJEYZSRRZ-IUODEOHRSA-N	316.367	3.213	10	20	DGCD	
CN1CC[C@@H]2[C@H](CCCN2Cc2cc(Cl)c(F)cc2O)C1	816611919	AJFHRZIIZQOHTK-IAQYHMDHSA-N	312.816	3.101	10	20	DGCD	
C[C@@H](NC[C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1O	817949370	JWVDKHVQLMCGHJ-NXEZZACHSA-N	303.233	3.492	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@H](O)c1cccc(F)c1	816544029	VRUURQIPZGRRFE-HNNXBMFYSA-N	313.731	3.147	10	20	DGCD	
COc1cccc(O)c1CN(C)[C@@H](CO)c1ccc(Cl)cc1	824691195	XZLLBMDRWZUSDL-HNNXBMFYSA-N	321.804	3.220	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)[C@@H](C)c2ccccc2)c1	828681884	HKAHINNRLDDOKV-NJSLBKSFSA-N	315.413	3.216	10	20	DGCD	
CCc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1C(C)(C)C	827930589	LVSPBNJOMTZQSI-GFCCVEGCSA-N	315.417	3.397	10	20	DGCD	
Cc1csc(C(=O)NCc2ccc3c(c2)CCCN3C)c1	822867533	AVTUWEJVIDINLF-UHFFFAOYSA-N	300.427	3.369	10	20	DGCD	
CN(C)c1ccc(CNC(C)(C)CC(=O)O)c(C(F)(F)F)c1	901681218	DRLDEUFECHOLCJ-UHFFFAOYSA-N	318.339	3.114	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCCc3cc(Cl)ccc32)cn1	914726469	HPSIWMGHXSUMTB-DAXSKMNVSA-N	301.777	3.066	10	20	DGCD	
CC[C@H]1CCCCN1CCN[C@@H](C)c1cccc(OC)c1O	846144096	JMJMRFHYBMPDHY-GJZGRUSLSA-N	306.450	3.316	10	20	DGCD	
Cn1c(Cl)nc(Cl)c1CNCc1cc(Cl)ccc1O	846059014	WZIYYCUNNXSJDC-UHFFFAOYSA-N	320.607	3.376	10	20	DGCD	
CCCN(Cc1cc(Cl)c(F)cc1O)[C@@H]1CCN(C)C1	843421858	IOQWCTNAWPVBNY-GFCCVEGCSA-N	300.805	3.101	10	20	DGCD	
C[C@H](NC[C@@H](CO)c1ccccc1)c1ccc(Cl)cc1O	841758421	MBQQTQOOSGNIBJ-JSGCOSHPSA-N	305.805	3.472	10	20	DGCD	
Cc1cc(Cl)nc(CNC(=O)NCc2cc(C)ccc2O)c1	858426526	WSFACGRKETWZNF-UHFFFAOYSA-N	319.792	3.057	10	20	DGCD	
C[C@@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1	850558879	VAKMKBJBWVOOJM-HUUCEWRRSA-N	317.477	3.050	10	20	DGCD	
CCc1nc([C@H](C)N[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)n[nH]1	756778234	NLBBEFSGYKHZIC-WCABBAIRSA-N	304.369	3.111	10	20	DGCD	
CO[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	752472516	MHAQKUOPMGOQBR-MRXNPFEDSA-N	312.413	3.263	10	20	DGCD	
CCOc1cccc(CNCCC2CCC(OC)CC2)c1O	757985162	LUYWFYCWZVMIIH-UHFFFAOYSA-N	307.434	3.476	10	20	DGCD	
c1ccc2c(CNCCCSc3nccs3)n[nH]c2c1	752264934	JUDGKNYSPSFKMY-UHFFFAOYSA-N	304.444	3.291	10	20	DGCD	
Oc1c(Br)cccc1CNc1ncncc1Cl	764935398	SWHAXMHAGIMPAX-UHFFFAOYSA-N	314.570	3.210	10	20	DGCD	
COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(C)c(C)cc1O	769421415	BQHFGKSXIJHKTA-GOSISDBHSA-N	313.397	3.355	10	20	DGCD	
Fc1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)nc1	763165350	GKWASJRHLKNFOC-UHFFFAOYSA-N	313.760	3.500	10	20	DGCD	
Cc1nc([C@H](C)NCc2ccc(N3CCCCC3)cc2)no1	1117600912	PUOGFJLBTNJDSF-ZDUSSCGKSA-N	300.406	3.219	10	20	DGCD	
CCN(C)c1ccc(CN2CCC(OCCCOC)CC2)cc1	773753661	MNCHSIPIMNQRME-UHFFFAOYSA-N	320.477	3.160	10	20	DGCD	
COc1ccc(O)c(CN2Cc3ccc(O)cc3C3(CC3)C2)c1	1117697500	OBGHIUMUVFBJOS-UHFFFAOYSA-N	311.381	3.154	10	20	DGCD	
COc1ccc(CN[C@H](C)c2c(O)cccc2F)cc1[N+](=O)[O-]	886516478	JKAWWBZVLMHRPB-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H](C3(C)OCCO3)C2)cc1	773840187	PHTLIBJNYMIMJY-KRWDZBQOSA-N	318.461	3.118	10	20	DGCD	
CCc1nc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1	773013033	ZCMYMMBEFPSUAZ-GFCCVEGCSA-N	317.458	3.191	10	20	DGCD	
COc1ccc(F)cc1CCN[C@H](C)c1cccc(OC)c1O	886723525	BUBSKEQGFCNJAL-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
COc1ccc(NCc2cc(C)cc(OC)c2O)cc1OC	894102793	AEWGREVYEFGYEP-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
COc1cc(C)cc(CNCC(C)(C)c2ccc(C)cn2)c1O	895392098	LJVDUYCWAYUIPY-UHFFFAOYSA-N	314.429	3.480	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(O)c1	792780440	PUHPJCMIOVMFRF-LALPHHSUSA-N	306.406	3.025	10	20	DGCD	
Cc1cc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C=O	792878596	VAOGSZLUYTUXTB-UHFFFAOYSA-N	324.424	3.454	10	20	DGCD	
CC(C)c1noc(CCNCc2ccc3ccccc3c2O)n1	1327868833	NGZOMJMJEJEBIE-UHFFFAOYSA-N	311.385	3.384	10	20	DGCD	
CCN(Cc1cc2c(cc1O)OCO2)Cc1ccccc1F	1337982041	JSYJBJJVTLUPGA-UHFFFAOYSA-N	303.333	3.282	10	20	DGCD	
Cc1ccc(O)c(CN(CC(=O)O)Cc2ccc(Cl)cc2)c1	1600465256	VNWOJAVUMFIEST-UHFFFAOYSA-N	319.788	3.441	10	20	DGCD	
C[C@H](N[C@@H]1CCc2ccccc2C1)c1cc(C(=O)O)ccc1O	1604326288	GNKJTAZBQXQKSU-BLLLJJGKSA-N	311.381	3.299	10	20	DGCD	
Cc1cc(CN[C@]2(C)CCCC[C@@H]2C(=O)O)ccc1N(C)C	1610460786	FQDIAFJPBJYHKT-CRAIPNDOSA-N	304.434	3.184	10	20	DGCD	
CCN1CCc2cc(CNCCC(C)(C)CCC(=O)O)ccc21	1776877331	OGETYSFCTOFIKZ-UHFFFAOYSA-N	318.461	3.440	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)C[C@@H](C)O	153858484	HRJYCMFQSBNPMT-BXUZGUMPSA-N	320.458	3.292	10	20	DGCD	
Cc1ccc(NC(=S)NNc2cccc([N+](=O)[O-])c2)cc1F	7351590	IJJCGCOUFGLBBX-UHFFFAOYSA-N	320.349	3.356	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(F)cc1	52851236	GAQMQHCIBXRNDZ-UHFFFAOYSA-N	314.404	3.483	10	20	DGCD	
COc1ccc(N(CC(=O)NC2CCCC2)C(C)C)cc1F	101567555	XTOFDGWJMQGCNA-UHFFFAOYSA-N	308.397	3.108	10	20	DGCD	
CCOc1cccc(N(C)Cc2ccccc2O)c1[N+](=O)[O-]	302652750	NITXTMWRCDGRCJ-UHFFFAOYSA-N	302.330	3.336	10	20	DGCD	
CCCOc1cccc(C(=O)NCc2cccc(OC)c2O)c1	68489299	ZFUMDZNUNKHLNT-UHFFFAOYSA-N	315.369	3.120	10	20	DGCD	
C[C@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	136827264	XHGLWRRKEDDJNA-UWVGGRQHSA-N	304.217	3.292	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)c2cccc(F)c2)c(OC)c1	132138637	APFUDGZHYSTJSJ-MRXNPFEDSA-N	305.349	3.013	10	20	DGCD	
CC[C@@H](NC[C@](C)(O)CC)c1cc(Br)ccc1O	87011734	KUFFPFOGWGXKSY-TZMCWYRMSA-N	316.239	3.356	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCC(=O)N1CCCCC1	322661343	FYCVAOUACQKONV-HUUCEWRRSA-N	316.445	3.241	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)c2ccncc2)c1	132757779	WPYBWKCATNBLKQ-QWHCGFSZSA-N	314.385	3.167	10	20	DGCD	
Cc1cnccc1NCc1ccc(N2CCC(CO)CC2)cc1	191979279	SIFIHTBKIBVCIB-UHFFFAOYSA-N	311.429	3.211	10	20	DGCD	
C[C@H](NC[C@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1	90795443	WGTBAGIQGSFAES-MGPUTAFESA-N	310.441	3.237	10	20	DGCD	
Nc1ccc(CC(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1	269222526	LNDWKWWDHVVPJH-LJQANCHMSA-N	308.425	3.435	10	20	DGCD	
CN(Cc1cnc([C@@H]2CCCO2)s1)c1ccc2c(c1)OCO2	272569480	VOQFOCNTOIVITH-AWEZNQCLSA-N	318.398	3.360	10	20	DGCD	
Cc1noc(C)c1C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273605875	TZXRWYLBMPIWDL-VHSXEESVSA-N	319.361	3.187	10	20	DGCD	
Cc1cc(O)c(CN2CCC(OC[C@H]3CCOC3)CC2)cc1C	368248517	FDQCQUWCIMOPKS-INIZCTEOSA-N	319.445	3.027	10	20	DGCD	
CC[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(C)cc1O	280113114	NSKRAFFMCPHDML-HOCLYGCPSA-N	305.418	3.427	10	20	DGCD	
CCO[C@@H](CCN(C)C)CN[C@H](CC)c1ccc(C)cc1O	280166354	QYTYHOOKYAHHSD-DOTOQJQBSA-N	308.466	3.098	10	20	DGCD	
CCSCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	282773330	HYDKZPLZYONEHN-UHFFFAOYSA-N	309.479	3.037	10	20	DGCD	
CC[C@H](COCC(F)(F)F)NCc1ccc2c(c1)CCO2	294664463	ABHUGWVICPOVJK-CYBMUJFWSA-N	303.324	3.069	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]3CN(C)CC[C@H]32)cc1	809767354	INHYXCFYTYQDRW-UYAOXDASSA-N	315.505	3.449	10	20	DGCD	
Cn1cc(C[C@@H]2CCN(Cc3ccc4ccccc4c3O)C2)cn1	816519453	JQLGHNRRXSYVGH-HNNXBMFYSA-N	321.424	3.344	10	20	DGCD	
CN(C)c1ccc(OCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1	810002004	PUKJQOFNVNJKOW-YJBOKZPZSA-N	316.445	3.313	10	20	DGCD	
CCCc1[nH]ccc1C(=O)NCc1ccc(N2CCCC2)cc1	817517044	LODQLLLNSGQMBM-UHFFFAOYSA-N	311.429	3.497	10	20	DGCD	
COc1ccccc1[C@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817937983	AWYGRBUSDANTDC-KBXCAEBGSA-N	313.445	3.112	10	20	DGCD	
CC[C@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(C(F)(F)F)cc1O	817976890	WMFFOEIMFYCFQI-GVXVVHGQSA-N	320.330	3.152	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCc3cccnc3CC2)cc1F	817575622	YUMZCEHYHRXPLP-MRXNPFEDSA-N	313.420	3.324	10	20	DGCD	
COc1cc(CN(C)CCCCCO)c(O)c(C(C)(C)C)c1	825726880	XYOGVIRKFUOFSJ-UHFFFAOYSA-N	309.450	3.293	10	20	DGCD	
COC(C)(C)c1nsc(NCc2cc(F)cc(F)c2O)n1	905418561	HPXQWGDLFSDOPQ-UHFFFAOYSA-N	315.345	3.016	10	20	DGCD	
COc1ccc(CNCc2ccc3c(c2)OC(F)(F)O3)c(O)c1	822476836	XUVPTOZDDAQEJC-UHFFFAOYSA-N	323.295	3.012	10	20	DGCD	
Cc1cccc([C@@H](C)CNC(=O)/C=C\c2ccc(O)c(O)c2)c1	588407327	WNGGNDWYJLGINM-LEJCZOIISA-N	311.381	3.339	10	20	DGCD	
CCCn1c(Sc2nccs2)nc2ccccc2c1=O	834980141	SHANXFJAOUZYKG-UHFFFAOYSA-N	303.412	3.414	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(OC)ccc1O	734066464	OQKCAFUXCKFRTA-IUODEOHRSA-N	306.406	3.169	10	20	DGCD	
Cc1cccn2c(CN3CCCc4cc(CN)ccc43)cnc12	843058381	QISLMAWGXSUSNW-UHFFFAOYSA-N	306.413	3.054	10	20	DGCD	
CC(C)[C@@H]1N(C(=O)NCCc2ccc(N)cc2)CC12CCCC2	841955674	JRCDWCHLWZYDKM-KRWDZBQOSA-N	315.461	3.422	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCCSc2nccs2)[C@@H](C)[C@H]1C	842181601	YUCFOKIOOIPTON-WOPDTQHZSA-N	313.492	3.311	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@H]1[C@H]1CCCOC1	842620160	ZNRNMBXZFRIOEO-YJBOKZPZSA-N	312.413	3.331	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]2[C@@H]2CCCOC2)cc1F	843418220	ZGDBJQBKPXGKMV-WBVHZDCISA-N	306.425	3.283	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCc1cncn1C	747783809	WNTOPECACGJWNC-UHFFFAOYSA-N	315.398	3.246	10	20	DGCD	
O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccc2c(c1)CCO2	848526416	ZOIJTVZQAVPOKC-INIZCTEOSA-N	310.353	3.307	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2CCCC23CCOCC3)c1O	846168717	UNGZDLTVMRQDOV-BBRMVZONSA-N	305.418	3.401	10	20	DGCD	
Fc1cc(CNC(C2CC2)C2CC2)cc(F)c1N1CCOCC1	840761116	QONYOLPPOFHWMU-UHFFFAOYSA-N	322.399	3.080	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCCOC2CCCCC2)c1	858104317	GKTUBPHZPGZZPW-UHFFFAOYSA-N	320.433	3.239	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@H](C)c1cc(OC)ccc1O	757652881	GONDENUWEGJFFR-KGLIPLIRSA-N	319.401	3.292	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H]2Cc3ccccc3NC2=O)cc1	858527488	HRNYCEWFGBQXBK-KUHUBIRLSA-N	323.440	3.357	10	20	DGCD	
C[C@H](NCCO[C@H]1CCOC1)c1ccc2ccccc2c1O	927081684	VFOHQYWAJZINKO-ZFWWWQNUSA-N	301.386	3.002	10	20	DGCD	
COc1cc(CNCCN2CC=CCC2)c(O)c(C(C)(C)C)c1	850280960	AIHNAHXPWMNTNI-UHFFFAOYSA-N	318.461	3.050	10	20	DGCD	
COc1cc(CN(C)c2ccc(OC)c(OC)c2)cc(OC)c1	761222907	UOODHXLSPMFDES-UHFFFAOYSA-N	317.385	3.357	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N(C)C)cc1	766332366	NJPOYBRVSHLWKG-AEFFLSMTSA-N	318.461	3.354	10	20	DGCD	
C[C@@H]1N(Cc2cc(C(C)(C)C)cc(O)c2O)CCOC1(C)C	763209998	FSNZQSQDXVYJCZ-LBPRGKRZSA-N	307.434	3.395	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c1	862757046	FKCUCQIDPRLZDP-CYBMUJFWSA-N	313.401	3.107	10	20	DGCD	
O=C(CCC1(O)CCC1)NCc1cc(Cl)cc(Cl)c1O	868359633	YAHTZFRBGICARN-UHFFFAOYSA-N	318.200	3.010	10	20	DGCD	
COC(=O)c1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1)C2	769369002	IUEXWCDEAHFEHL-UHFFFAOYSA-N	310.397	3.055	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@](C)(O)c1ccccc1Cl	877374860	PRSUDVDJKCGNCR-QGZVFWFLSA-N	305.805	3.351	10	20	DGCD	
CC(C)N(C(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C	774483976	NXTQKCXDIZJEQT-HZPDHXFCSA-N	319.493	3.437	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@H]3CCCC3(F)F)cc2)CC1	877566410	YMCQKGORSXGPAJ-OAHLLOKOSA-N	324.415	3.173	10	20	DGCD	
CO[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1	772992770	AOTKCCPVLZAKKV-KDOFPFPSSA-N	312.413	3.318	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@@H](C)C(C)(C)O)c1O	779041646	WRWPPQMPAGQTME-UWVGGRQHSA-N	316.239	3.273	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2cnccc12	773751696	UGYWLWZMPDDXBT-LBPRGKRZSA-N	322.364	3.007	10	20	DGCD	
CCn1ncnc1CN[C@H](C)c1ccc(Cl)c(Cl)c1O	794840190	HCBUZRBTEQPENL-MRVPVSSYSA-N	315.204	3.161	10	20	DGCD	
Cc1c(NCc2ccc(N(C)C)cc2C(F)(F)F)cnn1C	793039707	YAIXGWKJNVHHKG-UHFFFAOYSA-N	312.339	3.425	10	20	DGCD	
c1cc(-c2nnc(Sc3nccs3)n2C2CC2)ccn1	798190321	PNMSNCMCTXRBOI-UHFFFAOYSA-N	301.400	3.283	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cc(C)n(CC3CC3)c2C)c1	1329087617	UUMDUJPQPPTEIR-UHFFFAOYSA-N	312.413	3.459	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC1CCC1	1345746124	APUHWQDIRJFSHA-HNNXBMFYSA-N	317.477	3.434	10	20	DGCD	
Cc1ccc(CC2CN(C(=O)NCCc3ccc(N)cc3)C2)cc1	1579684741	REVRRWFMXVBCTO-UHFFFAOYSA-N	323.440	3.004	10	20	DGCD	
Cc1c(C(=O)O)cc(CN[C@@H](C)c2ccc(Cl)cc2O)n1C	1599995875	VSRCFVVEBIQUDP-VIFPVBQESA-N	322.792	3.242	10	20	DGCD	
COc1c(C)cnc(CSc2ncc(C(=O)O)s2)c1C	1599333648	MRQZEODORXESND-UHFFFAOYSA-N	310.400	3.154	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](CC=C(C)C)C(=O)O)ccc21	1776875716	CXCGSSRYJDIATL-KRWDZBQOSA-N	316.445	3.358	10	20	DGCD	
CCN(C)c1ccc(CN2CC3(CCCC3)C[C@@H]2C(=O)O)cc1	1776855581	NQHLJMCHGCCNFP-QGZVFWFLSA-N	316.445	3.362	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CC=C(C)C)C(=O)O)c(C)c1	1776855959	BHPALIMXNYJWSP-QGZVFWFLSA-N	304.434	3.350	10	20	DGCD	
Nc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1	390750408	SBSYBBMFSKNFQO-SFHVURJKSA-N	324.428	3.055	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1O	185468351	KZDQPTDBDSDKBH-DINDLPBHSA-N	307.340	3.443	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1ccccc1	24471297	WUMKOCWEEDVNSC-UHFFFAOYSA-N	322.412	3.100	10	20	DGCD	
CCS[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)C	188908028	PLZBEEWRKYINKV-INIZCTEOSA-N	322.474	3.256	10	20	DGCD	
C[C@H](N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccccc1O	183613157	YAPIDBDMKVXHEM-GRDNDAEWSA-N	310.397	3.237	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1ccc2nccnc2n1	301737647	CDFBUTPEIQLZHO-UHFFFAOYSA-N	307.401	3.117	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)c1cc(Cl)cc(Cl)c1	33656409	AWEXSQAIUYWSEC-UHFFFAOYSA-N	318.181	3.500	10	20	DGCD	
CCOc1ccc(O)c(CNc2ccccc2OCCOC)c1	123206064	YBLBNIXPUYUIIL-UHFFFAOYSA-N	317.385	3.428	10	20	DGCD	
CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1	121080264	RKHPKWRYLNRJIQ-YCRREMRBSA-N	317.732	3.319	10	20	DGCD	
COC[C@@H](C)CN[C@H](C)c1ccc(Br)cc1O	185149095	XDZRIMIDHXBUQF-VHSXEESVSA-N	302.212	3.088	10	20	DGCD	
CC[C@H]1CCCC[C@H]1OCC(=O)NCc1cc(OC)ccc1O	184718133	IZHVLBNIWYPWQV-SUMWQHHRSA-N	321.417	3.002	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@@H](C)c2ccc(C)cc2O)cc1	185826700	VNABEYRIMMENOO-KBXCAEBGSA-N	315.413	3.484	10	20	DGCD	
CCn1ccnc1CN1CCCc2cc(OC(F)F)ccc21	76292836	LNOAWDPQUNFVBU-UHFFFAOYSA-N	307.344	3.457	10	20	DGCD	
Cc1ccc(O)c(CNCC2CCN(CC(F)(F)F)CC2)c1	189466637	HJDZIILFICKUQX-UHFFFAOYSA-N	316.367	3.065	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(OC(F)F)cc1	186878851	PRJSMOMPDZHQOU-SECBINFHSA-N	323.295	3.190	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cc(Cl)cc([N+](=O)[O-])c1O	91956688	QCJFYIRZZPAEOY-UHFFFAOYSA-N	322.748	3.291	10	20	DGCD	
Nc1ccc(CC(=O)NCC2(Sc3ccccc3)CC2)cc1	237898548	HXUASVASYNBOCR-UHFFFAOYSA-N	312.438	3.252	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc([C@H]2CCOC2)c1	270629327	IEQUGFYQMGJWRY-KRWDZBQOSA-N	311.381	3.168	10	20	DGCD	
CC(=O)N1CCN(Cc2cccc(C)c2O)CC12CCCCC2	271869879	RWCVWWXKVLNUGT-UHFFFAOYSA-N	316.445	3.068	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)c1O	270676038	RNSJCRSJBMWSEW-ZBFHGGJFSA-N	307.434	3.474	10	20	DGCD	
CC[C@H](C)[C@@H](NC(=O)NCc1ccccc1O)C(F)(F)F	278446455	FWDZNLVICMYWPZ-JOYOIKCWSA-N	304.312	3.168	10	20	DGCD	
CC(C)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O	291639985	TVGBVUULQQPEMU-UHFFFAOYSA-N	300.406	3.154	10	20	DGCD	
Cc1ccc(CNCc2cc(C)n(-c3ccccc3)c2C)nn1	396718830	SEYHIAJBXJUMIG-UHFFFAOYSA-N	306.413	3.482	10	20	DGCD	
CN1CCC[C@]2(CCN(Cc3c(O)ccc(Cl)c3F)C2)C1	816642122	PXXJBLILHPWFCE-INIZCTEOSA-N	312.816	3.102	10	20	DGCD	
Cc1ccc(-c2noc(NCCc3ccc(O)c(O)c3)n2)cc1	811810888	HJLBNUPHMJGAGH-UHFFFAOYSA-N	311.341	3.111	10	20	DGCD	
CCn1cc(CC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)cn1	817760427	BGYMEDAJXUHJIJ-UHFFFAOYSA-N	311.385	3.160	10	20	DGCD	
C/C(=C\C(=O)NCCCSc1nccs1)c1ccco1	827475148	TXVVKRPSEBOBPQ-ZHACJKMWSA-N	308.428	3.438	10	20	DGCD	
Cc1cc(O)c(CN2CC[S@](=O)C(C)(C)CC2)cc1Cl	826084132	UTYHQLNPSCLTPJ-FQEVSTJZSA-N	315.866	3.087	10	20	DGCD	
CN(c1ccc(CNC(=O)c2cocn2)cc1)C1CCCCC1	729346305	OZEMFSNXKWZHHF-UHFFFAOYSA-N	313.401	3.374	10	20	DGCD	
CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2CCC(=O)O)cc1	901998804	YYZOBSGVJUYYRB-DUMMIQTOSA-N	316.445	3.485	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nccc2[nH]ccc12	824234522	LLJJEPXUYVMFOZ-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
FC(F)Oc1ccc2c(c1)CCCN2Cc1cn(C2CC2)nn1	906278195	SNNYOMRURVBBGT-UHFFFAOYSA-N	320.343	3.167	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc(CC[C@@H](C)O)cc1	738966086	PRJYEDUDKRNFQX-LLVKDONJSA-N	304.342	3.179	10	20	DGCD	
CCOc1ccc(CN(C)C[C@H](C)C(=O)OC(C)(C)C)c(O)c1	839192027	GEVGYHZQQCUVQR-ZDUSSCGKSA-N	323.433	3.201	10	20	DGCD	
COc1ccc(O)c(CN[C@H]2C[C@H](OC(C)(C)C)C2(C)C)c1	839192783	TUJZQTCYVGOGHR-HOTGVXAUSA-N	307.434	3.473	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccc2c(n1)CCC2	839012964	JDPXXINNWBNOMC-UHFFFAOYSA-N	309.413	3.035	10	20	DGCD	
CC[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O	836559681	RRGRQSJRKGZOJB-QWHCGFSZSA-N	306.406	3.026	10	20	DGCD	
COc1cccc(CNC2(c3ccccc3)CCOCC2)c1O	742373523	YMWKBVFHBGESCU-UHFFFAOYSA-N	313.397	3.196	10	20	DGCD	
C[C@@H](CCCC(F)(F)F)NC[C@H](N)c1ccc(N(C)C)cc1	841045536	MKZQKWLUGHQZAA-WFASDCNBSA-N	317.399	3.463	10	20	DGCD	
OC[C@@H](CCF)N[C@@H](CCc1ccccc1)c1ccccc1O	846210024	WFFPZWYUZGWFSF-AEFFLSMTSA-N	317.404	3.376	10	20	DGCD	
Cc1nn(C(C)C)cc1C(=O)NCc1cc(Cl)ccc1O	848243231	VYEKOENOMBZUAO-UHFFFAOYSA-N	307.781	3.061	10	20	DGCD	
COc1cccc([C@@H](C)NCCCOCC(F)(F)F)c1O	846139648	QCGKHTDEXTXZBO-SNVBAGLBSA-N	307.312	3.020	10	20	DGCD	
CCc1cccc(CN(C)Cc2ccc(OC)c(O)c2)c1O	848882949	DYFSWTVOQSQEEK-UHFFFAOYSA-N	301.386	3.301	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1CC(F)F)c1cc(Cl)ccc1O	858479398	QYYRKFVJLJCOMW-ZYHUDNBSSA-N	318.795	3.426	10	20	DGCD	
Oc1ccccc1CN(CCN1CCCCC1)Cc1ccco1	756327749	QJNJHXHQFNJSCR-UHFFFAOYSA-N	314.429	3.473	10	20	DGCD	
Cc1nnc([C@@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)o1	759630835	CUULVEYDIGVIFI-CYBMUJFWSA-N	324.384	3.277	10	20	DGCD	
COc1ccc(-c2nc(Sc3nccs3)n[nH]2)c(OC)c1	921059425	XWVRPUWCFHAGSD-UHFFFAOYSA-N	320.399	3.097	10	20	DGCD	
Clc1ccc2c(n1)[C@H](NCc1ccc3c(c1)CCO3)CC2	857903082	BTRJTRLQOPBEAT-CQSZACIVSA-N	300.789	3.447	10	20	DGCD	
C[C@@H](NCc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1O	756456373	MNGJHDDPLRVULE-SECBINFHSA-N	308.284	3.429	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C)cc1F	769478028	CVXSVBVCKLJPQW-SJORKVTESA-N	319.468	3.340	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2CCOC3(CCC3)C2)cc1F	1118858843	WZCOMMZUCQKNEL-CYBMUJFWSA-N	310.388	3.222	10	20	DGCD	
Cc1cccc(C[C@@H](CO)NCc2ccc(N3CCCC3)cc2)c1	1116720755	DYKYEEDJKLPVFH-FQEVSTJZSA-N	324.468	3.288	10	20	DGCD	
C[C@@H](NC(=O)Cc1c(F)cccc1F)c1ccc(N(C)C)cc1	773024149	ZXJFWTIPGHSXRL-GFCCVEGCSA-N	318.367	3.451	10	20	DGCD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C	772946155	HUKRFUHEOCOFRR-APWZRJJASA-N	300.446	3.367	10	20	DGCD	
Oc1ccc2c(c1)CCN(Cc1cc(Cl)cc(F)c1O)CC2	775666012	PTIPFICFIXGQHW-UHFFFAOYSA-N	321.779	3.491	10	20	DGCD	
CC[C@H](NC[C@H]1COCCO1)c1ccc(Cl)c(Cl)c1O	775490332	BYHFOBCDKFICFZ-CABZTGNLSA-N	320.216	3.155	10	20	DGCD	
CC[C@@H](C)n1nc(NC(=O)c2ccc(C)c(O)c2O)cc1C	781018085	QJZVAGGSTNVNSG-SNVBAGLBSA-N	303.362	3.134	10	20	DGCD	
COc1ccc2c(c1)N(C(=O)/C=C\c1cnccc1C)C[C@@H](C)O2	784049833	RNSWJEIXZCIEGW-HJHHMULASA-N	324.380	3.226	10	20	DGCD	
Cc1ccc(CNc2cccc([C@]3(C)COC(=O)N3)c2)c(O)c1	895638358	TYFVTEQQVLKSMS-SFHVURJKSA-N	312.369	3.268	10	20	DGCD	
Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)c(O)c1O	780863239	RFQVWLSDIHOQCB-UHFFFAOYSA-N	321.716	3.041	10	20	DGCD	
COc1cc(C)cc(CN[C@@](C)(CO)C2CCCCC2)c1O	894277426	AKNLUMYFJIOYTQ-SFHVURJKSA-N	307.434	3.130	10	20	DGCD	
O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(O)c1O	794373714	YVLDTZMQHKKUCI-AULYBMBSSA-N	317.772	3.427	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](C)CO[C@H]1CCOC1	1321024799	VWGRKGKLUXNEJG-KBXIAJHMSA-N	305.418	3.033	10	20	DGCD	
CCC[C@H]1CCCN(c2nnc(-c3sccc3O)n2C)C1	1339572205	HESZIRUDMQLYHZ-NSHDSACASA-N	306.435	3.266	10	20	DGCD	
C[C@H](c1ccco1)N(C)c1nnc(-c2sccc2O)n1C	1338748355	AUMRUIOTZUZTEY-SECBINFHSA-N	304.375	3.040	10	20	DGCD	
CCc1ccc2c(c1)CCN2C(=O)c1cccc2c1CCNC2	1341546701	KGLJYBOMUKKAHZ-UHFFFAOYSA-N	306.409	3.098	10	20	DGCD	
O=C(O)c1ccc(Cl)c(CNCc2ccc3c(c2)CCO3)c1	1608892067	BOLNHDGJWQLHLY-UHFFFAOYSA-N	317.772	3.263	10	20	DGCD	
CC(C)[C@H](CNCc1ccccc1O)NC(=O)OC(C)(C)C	115629682	NIXWSKYVPSZLNB-AWEZNQCLSA-N	308.422	3.031	10	20	DGCD	
C[C@H](NCc1ccc(Cl)c(C(=O)O)n1)c1c(O)cccc1F	1593299773	VRNYQCPPYJPQFN-QMMMGPOBSA-N	324.739	3.129	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](CCCC(C)C)C(=O)O)ccc21	1776877136	OCBFYMGIDNONKE-KRWDZBQOSA-N	318.461	3.438	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H]1C	105312002	NCGDORPOSKARNB-WMLDXEAASA-N	303.450	3.473	10	20	DGCD	
Cc1cccc(CN2CCN(c3ccccc3F)CC2)c1O	183461644	KVZVXNUENODSSQ-UHFFFAOYSA-N	300.377	3.162	10	20	DGCD	
C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(O)c(O)c1	180789134	SRBCKDVDFHXUQJ-UPNWVKGFSA-N	301.386	3.291	10	20	DGCD	
CCOc1ccc(O)c([C@@H]2NC(=O)c3c(Cl)cccc3N2)c1	78788159	VQXZQACWZKNCDG-HNNXBMFYSA-N	318.760	3.298	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@@H]1CC2(CCC2)C(=O)O1	192049425	LJXBPTJSVGCWLH-HNNXBMFYSA-N	303.402	3.090	10	20	DGCD	
O=C(/C=C\c1cccnc1)N(Cc1ccco1)c1ccccn1	255336918	RGSYVZILQKUZEB-HJWRWDBZSA-N	305.337	3.316	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cscn1	264024980	SNGICIFXQOVIAH-UHFFFAOYSA-N	303.431	3.260	10	20	DGCD	
Nc1ccc(CC(=O)N2CCCC[C@H]2Cc2ccccc2)cc1	269222524	LNDWKWWDHVVPJH-IBGZPJMESA-N	308.425	3.435	10	20	DGCD	
COC[C@H](N[C@@H](C)c1ccc2ccccc2c1O)[C@H]1CCCO1	278955710	ZTNVHKBYKCJZMY-DOPJRALCSA-N	315.413	3.390	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H]1CCOC1)c1cc(Br)ccc1O	273362078	ARPSNHRIPNTBGI-DCAQKATOSA-N	314.223	3.230	10	20	DGCD	
CCOc1cccc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O	374159696	MFUINNOVCCRLKW-XYPHTWIQSA-N	305.418	3.084	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)C(=O)c2ccccc2)C2CC2)cc1	280557623	BGENSWBJDATKIK-UHFFFAOYSA-N	322.408	3.127	10	20	DGCD	
CC[C@@H](NCc1ncc(C(F)(F)F)cn1)c1ccccc1O	295068156	QTTHFKBAGPMITA-GFCCVEGCSA-N	311.307	3.442	10	20	DGCD	
COC(=O)c1cnc(S[C@H](C)c2nc(C(C)C)no2)s1	295414076	XOSYSKULDTXUOY-SSDOTTSWSA-N	313.404	3.289	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC1(F)F	294577520	XTMCMLMWRRESOY-OAHLLOKOSA-N	308.372	3.291	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)CN(C)C)cc1	816720258	ARFNPDINABUMFE-CQSZACIVSA-N	313.445	3.022	10	20	DGCD	
CCOc1ccc(CNC[C@@H](CO)C2CCCCC2)c(O)c1	815150783	OKYCLVPDJNEJGM-INIZCTEOSA-N	307.434	3.069	10	20	DGCD	
CC[C@H](NCc1nonc1C)c1ccc(C(F)(F)F)cc1O	811506775	FGQQHCGXZFEMHW-NSHDSACASA-N	315.295	3.343	10	20	DGCD	
CN1CCCc2cc(CNC[C@@H](O)c3ccccc3F)ccc21	727644190	RLWFFUKRQBWVOM-LJQANCHMSA-N	314.404	3.031	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](O)c2cccc(F)c2)cc1Cl	825166819	FJQOQXFUEKDROT-MRXNPFEDSA-N	309.768	3.316	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCS1	839918085	JMXQIWMQPVJFKZ-XJKSGUPXSA-N	306.475	3.004	10	20	DGCD	
CC(C)[C@H](C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C	917075176	RORJBGYYNDBATC-INIZCTEOSA-N	319.493	3.124	10	20	DGCD	
Cc1ccoc1/C=C1\SC(=S)N(c2cccnc2)C1=O	742346798	PXQIJUDFVREUJH-GHXNOFRVSA-N	302.380	3.389	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)COC2CCCC2)cc1	916041496	AEIIOTHKDOPEHP-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
CCc1cccc(CNCCOc2ccc([N+](=O)[O-])cc2)c1O	848894346	CXZQVTXCSKRQPG-UHFFFAOYSA-N	316.357	3.031	10	20	DGCD	
CCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1	840489750	TYBNBZOQKNUPBP-AWEZNQCLSA-N	303.450	3.186	10	20	DGCD	
CCOCCCOC(=O)c1sc2nc(C)cc(C)c2c1N	744576110	LYFSACCOXMSJAF-UHFFFAOYSA-N	308.403	3.079	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)CCCC2CC2)cc1	844856354	HQQLRYCMHXPKOL-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(Cl)cc1O	841752282	SBGBQGNHDSGUQL-AAEUAGOBSA-N	311.809	3.382	10	20	DGCD	
O=C(NCCCC(F)(F)F)NCc1cc(Cl)ccc1O	846712048	FUQHKTYXYKKYDQ-UHFFFAOYSA-N	310.703	3.187	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@@H](C)C2)cc1F	752010349	OUDRDUJTKYFCHZ-KBPBESRZSA-N	321.440	3.469	10	20	DGCD	
CCn1cnnc1CCN[C@@H](C)c1ccc2ccccc2c1O	756732787	LYGCBQHMCIYAKI-ZDUSSCGKSA-N	310.401	3.050	10	20	DGCD	
COC[C@H]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1	754739847	CIFBDQMIQNNMOC-ZDUSSCGKSA-N	307.434	3.167	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCc2ncccn2)c1O	850551581	HXQGGGVUQPXREN-JTQLQIEISA-N	322.206	3.104	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NOCC(F)F)c2C)c1	759338728	JPBLXWAZYHUNGC-UHFFFAOYSA-N	308.328	3.329	10	20	DGCD	
C[C@@H](NCCN1CCc2ccccc2C1)c1ccc(N(C)C)cc1	764755084	NCWGQUBDJYFNRP-QGZVFWFLSA-N	323.484	3.462	10	20	DGCD	
CCn1nc(CNCc2ccc3c(c2)CCO3)c2ccccc21	769909545	BQRGZWLRMNWJBM-UHFFFAOYSA-N	307.397	3.281	10	20	DGCD	
CCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)[C@@H](CC)C1	1037758902	KZOHLNFUYNBICD-DLBZAZTESA-N	318.461	3.130	10	20	DGCD	
CCN(C)c1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1	773838553	ILXYKCCOEXCRCR-SFHVURJKSA-N	302.462	3.391	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2c(c1)COC2)c1ccc(N(C)C)cc1	772998375	JKKVXWJXOARNPE-CYBMUJFWSA-N	310.397	3.274	10	20	DGCD	
CCC[C@]1(C(=O)OCC)CCCN1Cc1cc(C)ccc1O	775184922	UBCGCVVOKBSHEZ-GOSISDBHSA-N	305.418	3.398	10	20	DGCD	
COCC1(C)CCN(Cc2c(O)ccc3ccncc23)CC1	773269652	RNKNLHJFXGOSRB-UHFFFAOYSA-N	300.402	3.189	10	20	DGCD	
COc1cccc(F)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	772997641	VANRWJLKEGWFQY-LBPRGKRZSA-N	316.376	3.391	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1c(O)cccc1F	886528153	HVPIGANRSQYFAW-YGRLFVJLSA-N	301.365	3.358	10	20	DGCD	
COc1ccc(CN2CC(Cc3ccsc3)C2)c(O)c1OC	895516646	VVLNFNIIBVANKD-UHFFFAOYSA-N	319.426	3.145	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c1O	894003013	CAFBNAJAGPNTPV-AWEZNQCLSA-N	321.417	3.015	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCOC2(CCC2)C1	896057746	NGZZFEQNMNLDJG-OAHLLOKOSA-N	317.429	3.480	10	20	DGCD	
COc1ccc(CNCc2ccc(OC)c(OC)c2O)c(C)c1	893172752	JCPQLKNDRMSUSG-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCN1C(C)(C)C	896058160	PGLDPHSEAIQZQM-HNNXBMFYSA-N	304.434	3.004	10	20	DGCD	
C[C@H]1CC[C@@H](CNC(=O)NCCCSc2nccs2)C1	793104379	QYKYSCUZKZWKKV-NWDGAFQWSA-N	313.492	3.361	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CCCOC(C)(C)C)ccc21	795831739	ADDSGYOTGXZXHJ-UHFFFAOYSA-N	318.461	3.281	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)s2)c(O)c1	792898133	HGWKJNWCTNEGSS-NSHDSACASA-N	320.414	3.331	10	20	DGCD	
C[C@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccc(F)cc1O	797131396	GBRRZZIMBCFZDQ-AMXDTQDGSA-N	321.417	3.261	10	20	DGCD	
COc1cccc(CNc2nc(C3CC3)nc3c2CCC3)c1O	1323205213	BZRMURUCDISLAX-UHFFFAOYSA-N	311.385	3.169	10	20	DGCD	
COc1cc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c(O)cc1C	1320848981	PJLPDEUOUXKWRV-UHFFFAOYSA-N	317.433	3.362	10	20	DGCD	
Nc1ccc(CC(=O)N2CC3(CCC3)c3c(F)cccc32)cc1	1329273770	RIOPBKIYUONFJY-UHFFFAOYSA-N	310.372	3.419	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCCC[C@H]1[C@@H]1CCCN1	1328401218	VAOCBGYWMKKLGY-PMACEKPBSA-N	313.489	3.393	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCC[C@@H]3CCOC3)sc2n1	1325446914	NIPANAARTSLVTL-NSHDSACASA-N	320.414	3.079	10	20	DGCD	
CNC(=O)Cc1ccccc1NCc1c(O)ccc(Cl)c1F	1338928152	BHNOUPAAUSXCFF-UHFFFAOYSA-N	322.767	3.085	10	20	DGCD	
CC(F)(F)C1(C(=O)NCCCSc2nccs2)CC1	1347471321	CMYVVDQSMPLQNG-UHFFFAOYSA-N	306.403	3.177	10	20	DGCD	
CCN(CCc1ccccn1)Cc1cc(C)cc(OC)c1O	1350304371	HKLIFOOGKRGYDP-UHFFFAOYSA-N	300.402	3.169	10	20	DGCD	
CCN(c1ccc(C(=O)NCc2ccc(N)cc2)cc1)C(C)C	1515331283	DLLNXLPKYRQERD-UHFFFAOYSA-N	311.429	3.434	10	20	DGCD	
Oc1ccc(Br)cc1CNCC[C@H]1CCCCO1	227339107	STJCPUHOGQVGGJ-CYBMUJFWSA-N	314.223	3.204	10	20	DGCD	
CCN1CCCc2cc(CNCc3cc(C(=O)O)co3)ccc21	1776875643	LYCKTXQSCDNXLX-UHFFFAOYSA-N	314.385	3.040	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1c(Cl)cccc1Cl	158897665	OFRYFTCIHCSVKM-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCOC	57884934	RSEAOCHNSPLBAN-UHFFFAOYSA-N	320.414	3.080	10	20	DGCD	
C[C@@H](Sc1nccs1)C(=O)N[C@H]1CCOc2ccccc21	52914372	PXWNBJAOZXASSZ-PWSUYJOCSA-N	320.439	3.264	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C[C@H]3C=CCC3)CC2)cc1	55877790	FWMKEOUCEOCKQE-INIZCTEOSA-N	314.429	3.090	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)CC[C@@H](C)O)c1	177452983	XBGZYEWUPULDCP-MRXNPFEDSA-N	314.429	3.245	10	20	DGCD	
COc1cccc(CNC(=O)c2cccc(C)c2Cl)c1O	123508701	FPUUWEDSNHVSGK-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1C	151871124	UAVZYMOEEWKLAT-UHFFFAOYSA-N	311.790	3.463	10	20	DGCD	
CC1CCN(c2ccc(CNCC3=CCCOC3)cc2)CC1	127164220	QSLNEPJMNCXTIX-UHFFFAOYSA-N	300.446	3.359	10	20	DGCD	
COCCOc1cccc(CN(C)c2ccc3c(c2)OCO3)c1	180760901	UIKKVYAWUCCHCT-UHFFFAOYSA-N	315.369	3.077	10	20	DGCD	
CC(C)(C)OC(=O)N1CC[C@H](CSc2nccs2)C1	85340109	PKLNANVKWKINCI-JTQLQIEISA-N	300.449	3.492	10	20	DGCD	
CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nccs2)cc1	133230844	UIINVXWXNCSPFI-VIFPVBQESA-N	306.412	3.465	10	20	DGCD	
CN(CCCN[C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C	381773583	UVQDKOLNMMMCPP-AWEZNQCLSA-N	320.433	3.226	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1	247247989	YCQVJQZHXWGCFM-VYDXJSESSA-N	301.478	3.419	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2CCOc3ccc(F)cc32)s1	254951090	HCXLQARVRNAGPC-HYXAFXHYSA-N	304.346	3.029	10	20	DGCD	
Cc1c(CNC(=O)NC[C@H]2CCCS2)n(C)c2ccccc12	349665399	ITLVZWWRHZBWJS-CYBMUJFWSA-N	317.458	3.182	10	20	DGCD	
Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)on1	253599991	BDGDKAKYDTWDQH-UHFFFAOYSA-N	312.325	3.124	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC(c2ccc(F)cc2)CC1	366169458	IFXZZNQMUCLLIT-UHFFFAOYSA-N	315.344	3.257	10	20	DGCD	
CC(C)C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCO1	272049053	DQCJPIZISVRQQE-CVEARBPZSA-N	320.433	3.127	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC(c3cn[nH]c3)CC2)c1O	363927172	NTUBOXAVSBCLQI-UHFFFAOYSA-N	321.808	3.157	10	20	DGCD	
CC(C)[C@]1(CO)CCN(Cc2c(O)ccc(Cl)c2F)C1	378137489	YZLTZZKSTNUHBI-OAHLLOKOSA-N	301.789	3.025	10	20	DGCD	
CCc1nn(C)cc1NC1CCN(c2ccc(OC)cc2)CC1	378477528	VKJFNTWKNWAZNV-UHFFFAOYSA-N	314.433	3.072	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C)SC	282690324	ANTKKURTCQWZQU-ZDUSSCGKSA-N	310.463	3.455	10	20	DGCD	
Cc1cccc(CN(Cc2ccco2)C2CCN(C)CC2)c1O	290318775	CTWRWQGWDYTWFU-UHFFFAOYSA-N	314.429	3.390	10	20	DGCD	
Cc1csc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1	295125173	HLYRBKXVWOTLMR-UHFFFAOYSA-N	302.399	3.162	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCCN1C	817417373	KVKBESRJLVMQBL-LJQANCHMSA-N	301.478	3.203	10	20	DGCD	
CCN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H](C)CO	814169008	AZJHBPWYZBIXBQ-QGZVFWFLSA-N	324.468	3.452	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](O)CC2)c(C(F)(F)F)c1	816667628	RWFKVYYEUDQBAY-AWEZNQCLSA-N	316.367	3.118	10	20	DGCD	
O[C@H](CNc1ccccc1OCCF)COc1ccccc1F	819487005	CHAWKRXOPUHVDU-CYBMUJFWSA-N	323.339	3.026	10	20	DGCD	
CN(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1F	727658250	DQWKIJRMEULQJS-RVDMUPIBSA-N	310.328	3.236	10	20	DGCD	
COc1cc(O)c(CNc2ncc(Cl)cc2C)cc1OC	812784251	DQLWTCYWZSGKEB-UHFFFAOYSA-N	308.765	3.378	10	20	DGCD	
CCOc1ncccc1CNCc1cc(Cl)c(C)cc1O	825422741	SFYUTZAAGWPSPN-UHFFFAOYSA-N	306.793	3.438	10	20	DGCD	
CC[C@H](N[C@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1O	825142475	SHFQTPJLDGVZFE-WBMJQRKESA-N	323.400	3.374	10	20	DGCD	
CCOc1ccc(CNCC(C)(C)C2(O)CCCC2)c(O)c1	825231718	FHWWIXUZXXIXDL-UHFFFAOYSA-N	307.434	3.212	10	20	DGCD	
Cc1cccc([C@H](CC(=O)O)NCc2ccc3c(c2)CCO3)c1	904043097	PMRIWJSWRKWFCC-KRWDZBQOSA-N	311.381	3.236	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(F)cc1	734518371	VKFHZLRIXIGAEJ-UHFFFAOYSA-N	315.392	3.200	10	20	DGCD	
CCOc1ccc(OCc2cc(C(=O)O)oc2CC)c(C=O)c1	830088633	DBYSWJXPXWCAEP-UHFFFAOYSA-N	318.325	3.330	10	20	DGCD	
CCOc1ccc(N(C)Cc2nc(O)c3ccccc3n2)cc1	739922203	BHMXJABHFXTRCV-UHFFFAOYSA-N	309.369	3.371	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CCOc3ccccc3)ccc21	746808842	MQEFKFRWJKUFBZ-UHFFFAOYSA-N	324.424	3.154	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H]2C[C@@H]21	840483882	LXIQYNHCUMBCNT-ZVZYQTTQSA-N	315.461	3.186	10	20	DGCD	
COc1ccc(CN[C@H](CCO)c2ccccc2F)cc1C	842762166	BFOVPLAVCBRSDL-QGZVFWFLSA-N	303.377	3.356	10	20	DGCD	
Cc1cc([C@](C)(O)CNCc2ccc(N(C)C)cc2C)c(C)o1	840933650	IYKCVFNNINZVMC-LJQANCHMSA-N	316.445	3.268	10	20	DGCD	
C[C@H](CNC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1	841042740	NCJUYZMWKSZEES-KUHUBIRLSA-N	315.436	3.285	10	20	DGCD	
Nc1ccc(NC(=O)NC2CCN(CC3CCCC3)CC2)cc1	841297300	DRLHACDTLCTPRP-UHFFFAOYSA-N	316.449	3.045	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)COCC1CC1	845581267	VTMUJLAUZJPAAI-AWEZNQCLSA-N	320.433	3.129	10	20	DGCD	
N=C(NCc1cccc(C(F)(F)F)c1)NCc1ccccc1O	849090371	JPLXHGHQWCUGEG-UHFFFAOYSA-N	323.318	3.225	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2cccc(OC)c2O)C12CCCC2	742390948	WKLBOSWZXKEGGJ-CVEARBPZSA-N	305.418	3.228	10	20	DGCD	
CC[C@@H](N[C@@H]1COC[C@H]1OC)c1cc(Cl)cc(Cl)c1O	842911649	KXYQHRPYXWXZCJ-JHJVBQTASA-N	320.216	3.154	10	20	DGCD	
COc1cc(CN2C[C@@H]3[C@H](C2)C3(F)F)c(O)c(C(C)(C)C)c1	844752567	OVEWYMHNHPWSJF-OKILXGFUSA-N	311.372	3.395	10	20	DGCD	
CCCN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	131689266	VNAPZEOKSONATP-UHFFFAOYSA-N	303.233	3.227	10	20	DGCD	
CCCN(C)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	858905168	MDSYXSIRFLHXNM-UHFFFAOYSA-N	312.413	3.318	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2C[C@@](C)(OC)C2(C)C)c1	756625383	KAAFRRRCVLKHEO-GEWABHDNSA-N	321.417	3.033	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1c(Cl)cnn1C	854373728	KSUWKBDSOXDVDP-UHFFFAOYSA-N	321.808	3.222	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)cc1	858605354	RTSJRAJLGZDTFM-XSWJXKHESA-N	318.461	3.209	10	20	DGCD	
COc1cccc(OC)c1CNCc1cc(Cl)ccc1O	850355572	JFFOUPRFNLVWPU-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]2CCCC[C@@H]21	768439149	ILEWYCVLSXVEGR-CAGXHZNZSA-N	317.429	3.219	10	20	DGCD	
CC1(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1	760476167	OYBQRJYSNGKUCY-OAHLLOKOSA-N	303.402	3.090	10	20	DGCD	
CC[C@@H](NC1CCN(C(C)=O)CC1)c1cc(Cl)ccc1O	775484803	JFBHAGIUZYQMAZ-OAHLLOKOSA-N	310.825	3.097	10	20	DGCD	
Cc1ccccc1CN1CCCN(Cc2ccccc2O)CC1	770509554	OCZABBHJROQFGJ-UHFFFAOYSA-N	310.441	3.409	10	20	DGCD	
C[C@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779516820	ZJVZLEMHBVUWKR-JWJUJFCLSA-N	309.365	3.336	10	20	DGCD	
CC[C@H]1CCCCN1C(=O)[C@@H](C)N[C@H](C)c1ccccc1O	879647704	ITBYCNKAXDQJPK-KFWWJZLASA-N	304.434	3.222	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	773990679	WGCZPKVYECJCSA-BZYZDCJZSA-N	315.442	3.408	10	20	DGCD	
Cc1cccc2c1N(C1CC1)CCN2C(=O)/C=C/c1cccnc1	774520398	KACYTKIJMPEPLE-JXMROGBWSA-N	319.408	3.419	10	20	DGCD	
CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cccc(Cl)c1	775782095	AXMHZWDFLXROOG-BQYQJAHWSA-N	317.776	3.205	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@H]([C@H]2CCCCO2)C1	895280738	ZSWVOFIGTMJENT-BLLLJJGKSA-N	311.372	3.452	10	20	DGCD	
C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1cccc(C(F)(F)F)c1O	788763487	IZICROYZVQVTHX-XXILOJSOSA-N	303.324	3.221	10	20	DGCD	
O=C1/C(=C\c2ccc3c(c2)CCCO3)SC(=S)N1C1CC1	899260530	JXSNVUGUMLWBGW-NTEUORMPSA-N	317.435	3.375	10	20	DGCD	
CCN(C(=O)/C=C/c1cnn(C)c1)c1ccc(Cl)c(F)c1	799409017	JCBZZMKGQDDMLD-QPJJXVBHSA-N	307.756	3.279	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nc(C(C)C)oc1C	796500544	IEXJNXXJROLMCD-UHFFFAOYSA-N	315.417	3.411	10	20	DGCD	
CN(Cc1cccc(Br)n1)c1ccc2c(c1)OCO2	794433603	CAWQKIAVOSMJRL-UHFFFAOYSA-N	321.174	3.209	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN[C@@H]1COc2ccccc2C1	790962762	RDLSUDNSBOXDHB-NSHDSACASA-N	307.752	3.278	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)[C@@H]1CCN	1326465726	WIIKHYJAHVXZDP-QFBILLFUSA-N	301.478	3.236	10	20	DGCD	
OC[C@H]1c2ccccc2CCN1Cc1ccc(N2CCCC2)cc1	1254010453	GAGFVUVIEFXAEB-NRFANRHFSA-N	322.452	3.379	10	20	DGCD	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(N)cc1	1346738261	FSZDHQRVCSNAEQ-KBXCAEBGSA-N	309.413	3.356	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@]23CCC[C@H]2NCC3)cc1	1579674074	MPMIYRBCHRQITL-QUCCMNQESA-N	323.440	3.109	10	20	DGCD	
CSc1cc(NCCc2ccc(N)cc2)nc(SC)n1	1579387511	CPZIQHXRWCSRNE-UHFFFAOYSA-N	306.460	3.157	10	20	DGCD	
CCC(C)(C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	164915254	LTPQFZFRUFGJAQ-AWEZNQCLSA-N	319.449	3.072	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1=Cc2ccccc2OC1	8401111	NZXMKURRPVERDE-UHFFFAOYSA-N	322.408	3.187	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)c1	114543530	AEOZWLUNDWSHPY-LBPRGKRZSA-N	317.360	3.035	10	20	DGCD	
COc1cc(C)ccc1NC(=O)NCc1cccc(OC)c1O	171530947	PILRGQHQJMBXLS-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
CCOC(CN1CCCc2cc(OC(F)F)ccc21)OCC	124813987	ZKAUHRFPDXTXRN-UHFFFAOYSA-N	315.360	3.440	10	20	DGCD	
C[C@H](NCc1cc(F)ccc1O)[C@H](c1ccccc1)N(C)C	186457405	WESWTOPVHCWSRG-SCLBCKFNSA-N	302.393	3.312	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(-c3ccccc3)on2)cc1	31971342	HPLZBBZCUFCFGL-UHFFFAOYSA-N	321.380	3.338	10	20	DGCD	
Cc1c(CNC(=O)C[C@@H](C)c2cnn(C)c2)n(C)c2ccccc12	412314353	WSACNYWBFFNOHC-CYBMUJFWSA-N	324.428	3.030	10	20	DGCD	
CC[C@@H](NCCc1cccc(C(=O)NC)c1)c1ccccc1O	185212117	VFMDILRSXRHHCX-QGZVFWFLSA-N	312.413	3.035	10	20	DGCD	
CC(C)C[C@@H](CO)N[C@H](C)c1ccc(Br)cc1O	185114364	WRIHNFFBDLEBPR-PWSUYJOCSA-N	316.239	3.212	10	20	DGCD	
CC(C)C[C@H](C)OCCC(=O)NCc1ccc(N(C)C)cc1	87004616	QPKILACSYLJPFP-HNNXBMFYSA-N	306.450	3.210	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H]2CCc3nccn3C2)cc1	279008854	SOVSGMZJQMXNPI-CVEARBPZSA-N	312.461	3.252	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@@H](n2cc(Cl)cn2)C1	368127884	XYZSYQQNFBPZOF-CYBMUJFWSA-N	312.200	3.343	10	20	DGCD	
Cc1ccc([C@H](C)NCCCN2CCCO[C@H](C)C2)c(O)c1C	278778206	YECNSVDHBIZTHE-WBVHZDCISA-N	320.477	3.161	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2ccccc2[N+](=O)[O-])c1	273608574	UYZVWMJTJVMGPJ-GFCCVEGCSA-N	316.357	3.202	10	20	DGCD	
CC[C@H](NC1CCC2(CC1)OCCO2)c1ccc(C)cc1O	280161117	QQRZMHFJIUYUFT-INIZCTEOSA-N	305.418	3.427	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1c(C)noc1C	282390889	DNTPXFTVSNGAHD-UHFFFAOYSA-N	316.401	3.368	10	20	DGCD	
Cc1cccc(CN2CCCC[C@H]2COC(=O)NC(C)C)c1O	809720412	BUFHKQGTDZFKGW-INIZCTEOSA-N	320.433	3.190	10	20	DGCD	
Cc1c(CNC(=O)N2CCS[C@@H](C)C2)n(C)c2ccccc12	472289740	CUPZWRNRHFREPK-LBPRGKRZSA-N	317.458	3.134	10	20	DGCD	
CSc1ccc(OCCOC(=O)c2cc(O)cs2)cc1	805450204	RTPQGTJKPRLKBB-UHFFFAOYSA-N	310.396	3.411	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1C[C@H]2CC[C@H]1C2	298610411	GSEKVHDHNFMPEX-ORIJERBGSA-N	302.418	3.358	10	20	DGCD	
Cc1cc(CN(C)Cc2ncc(Cl)n2C)ccc1N(C)C	294372770	BAYKQMULYVSHEL-UHFFFAOYSA-N	306.841	3.080	10	20	DGCD	
COc1ccc(N2CC[C@H](CN=c3cc[nH]cc3Cl)C2)cc1	819934943	IXNNGWPYSPCPPG-CYBMUJFWSA-N	317.820	3.104	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](OC)C1	815797294	KJJFUFHNCHCZQW-GOEBONIOSA-N	305.418	3.336	10	20	DGCD	
CCCOc1cccc(CNCc2cccc(OC)c2O)c1	728775099	HIFYKKUDECZNGI-UHFFFAOYSA-N	301.386	3.479	10	20	DGCD	
CCOC(=O)N(C)C1CCN(Cc2cc(C)c(C)cc2O)CC1	726966139	CMKXMGQRDQSXRQ-UHFFFAOYSA-N	320.433	3.062	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccccc1Cl	588404736	NSQDRVGVDVPNBN-VURMDHGXSA-N	317.772	3.123	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccnn2C)c1	726532741	ISAOXUCCTUQYOU-UHFFFAOYSA-N	308.385	3.388	10	20	DGCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)[C@@H]1C=CCCC1	731845053	PSAXYCBCXSGCTE-CQSZACIVSA-N	309.793	3.129	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1cccs1	839914165	RJHMDMUOUSRYIQ-CQSZACIVSA-N	316.470	3.412	10	20	DGCD	
O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(O)cs1	732274075	INGPNAATDXXJKD-UHFFFAOYSA-N	303.261	3.447	10	20	DGCD	
C[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C	734508803	JBSMEKKRHZBBKM-AWEZNQCLSA-N	308.441	3.434	10	20	DGCD	
CC(C)COc1ccccc1C(=O)NCc1ccc(O)cc1O	910956475	WLXZRRFZTPPCBI-UHFFFAOYSA-N	315.369	3.063	10	20	DGCD	
CCC(CC)[C@@H](CCNCc1cc([N+](=O)[O-])ccc1O)OC	746759587	CXVQPMAFHLMYFD-MRXNPFEDSA-N	310.394	3.231	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(C2CC2)[nH]n1	742475815	ZMZVHSSJSIYDNZ-UHFFFAOYSA-N	324.428	3.207	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@](CO)(c2ccccc2)C1	840947815	MQEISMXRMCGGPH-NRFANRHFSA-N	324.468	3.197	10	20	DGCD	
CC[C@H](N[C@@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1O	840826417	KXYQHRPYXWXZCJ-XQQFMLRXSA-N	320.216	3.154	10	20	DGCD	
Cc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n(C)n1	914860239	YWEWZSLLXNFKGZ-UHFFFAOYSA-N	308.385	3.388	10	20	DGCD	
COc1ccc(OCCN[C@@H](C)c2cc(F)cc(F)c2O)cc1	756357110	BRMZLEMCFXPZGX-NSHDSACASA-N	323.339	3.409	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CN[C@H](C)c3cnn(C)n3)c2C)c1	926765649	XZZMTQPKIJTVQO-OAHLLOKOSA-N	323.444	3.382	10	20	DGCD	
Nc1ccc(CCNC(=O)NC2CCC(C3CCC3)CC2)cc1	851664782	KQNAKQCMFWZKSH-UHFFFAOYSA-N	315.461	3.469	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O	851792102	KTMVVQTVYVHIRJ-HYVNUMGLSA-N	316.445	3.052	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1cccs1)c1cc(F)cc(F)c1O	756593025	LCSBISQCLLOSSG-VFZGTOFNSA-N	313.369	3.290	10	20	DGCD	
CCC[C@@H](CCO)N[C@@H](C)c1ccc(Br)cc1O	866414344	DYTKNPWDZDOYRX-JQWIXIFHSA-N	316.239	3.356	10	20	DGCD	
C[C@H](NCCc1cnccn1)c1ccc(N2CCCCC2)cc1	775419605	VNVPDPXGTQHCCM-INIZCTEOSA-N	310.445	3.360	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCCNC(=O)OC(C)(C)C	775011920	MCPQVUXYIDKWPM-UHFFFAOYSA-N	321.465	3.065	10	20	DGCD	
C[C@@H](NCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccccc1O	879648119	ZAFJIQYJEYZTQL-BFYDXBDKSA-N	316.445	3.224	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2ccn(-c3ccccc3)n2)c1	775658744	RPZHKPIPMFSAPY-UHFFFAOYSA-N	323.396	3.219	10	20	DGCD	
CC(C)C[C@]1(CO)CCCN1Cc1ccc(N(C)C)c(F)c1	789592362	CHJBTWCBGVSAFG-SFHVURJKSA-N	308.441	3.265	10	20	DGCD	
C=C/C=C\CCNCc1cc(Br)cc(OC)c1O	883261315	YGGJXTPXRCAYIM-PLNGDYQASA-N	312.207	3.385	10	20	DGCD	
C/C=C\C[C@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1O	788756232	VPDNRTVSSDMBPT-ANDSXOESSA-N	303.324	3.389	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccc2c(c1)ncn2C	896295578	CBBTXVPFOIGYKX-UHFFFAOYSA-N	308.429	3.238	10	20	DGCD	
CCOc1cccc(CN[C@H](C)[C@@H](O)c2ccc(C)cc2)c1O	796492911	YYXRHVVNSNVMRA-RDTXWAMCSA-N	315.413	3.311	10	20	DGCD	
CC[C@@H](C)[C@@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1	793245224	KFPNELJLELJIHU-RHSMWYFYSA-N	306.450	3.162	10	20	DGCD	
C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1c(O)ccc(Cl)c1F	792180744	STIBFZZSQQDHII-NRUUGDAUSA-N	301.789	3.166	10	20	DGCD	
C[C@@H]1CC[C@@H](CNC(=O)NCCCSc2nccs2)C1	793104386	QYKYSCUZKZWKKV-VXGBXAGGSA-N	313.492	3.361	10	20	DGCD	
C[C@H]1c2nncn2CCN1Cc1cc(-c2ccccc2)ccc1O	792186039	FVZQZYUEIGSWPB-AWEZNQCLSA-N	320.396	3.228	10	20	DGCD	
COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1F	1319468495	YYIJLKGQDJCJIK-KPKJPENVSA-N	309.387	3.198	10	20	DGCD	
Cc1cc(-c2nnc([C@H]3CCO[C@@H]3C)o2)c(C)n1-c1ccccn1	1327071499	NHCWQFQHUQINAP-KGLIPLIRSA-N	324.384	3.432	10	20	DGCD	
COC(=O)[C@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	1320717503	SHNXHOZTSCXZMY-JQWIXIFHSA-N	318.200	3.130	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H](CO)Cc1ccco1	1337785007	INRJORRTRRNCAJ-IIAWOOMASA-N	315.413	3.283	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N(C)c1cccc2c1CCCN2	1347050495	PDVDSAFQTJGUJH-CMDGGOBGSA-N	307.397	3.424	10	20	DGCD	
C[C@@H](NC1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O	227579026	KNKWDCYQPUPGOO-PNESKVBLSA-N	306.406	3.099	10	20	DGCD	
COc1ccc(N[C@H](C)c2cc(C(=O)O)ccc2O)cc1OC	1599599148	HUCMFNKTQATXKC-SNVBAGLBSA-N	317.341	3.281	10	20	DGCD	
O=C(O)C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(F)c1	1777629319	NQAAYUQANXCSQZ-MRXNPFEDSA-N	315.344	3.066	10	20	DGCD	
CC1(C)CCC[C@@]1(NCc1c(O)ccc(Cl)c1F)C(=O)O	1776551381	NAMQFFRBGVQNEA-OAHLLOKOSA-N	315.772	3.308	10	20	DGCD	
COc1ccc(N2CCC(NCc3ccc(C)nc3)CC2)cc1	161290416	ZHIHDWYSSLPNCR-UHFFFAOYSA-N	311.429	3.157	10	20	DGCD	
C[C@@H](NCCN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	158639829	ZXPPDAPAQVGSGQ-CQSZACIVSA-N	321.465	3.270	10	20	DGCD	
CSc1ccc(C)c(C(=O)NCc2ccc(O)c(O)c2)c1	158939592	FGDAFLDECQGCTH-UHFFFAOYSA-N	303.383	3.058	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1	152520780	MICSEMYFWPJJEC-KBPBESRZSA-N	316.351	3.009	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)COC/C=C/c1ccccc1	159643037	HWZWBEIYADYJMV-JXMROGBWSA-N	311.381	3.081	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCc3ncc[nH]3)c2C)c1	172991243	FDJVBRSPZKVDCH-UHFFFAOYSA-N	322.412	3.098	10	20	DGCD	
Cc1cccnc1[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(C)C	179501105	IQSMHGPMJCPXSR-AWEZNQCLSA-N	314.385	3.237	10	20	DGCD	
CCCC(=O)NC[C@H]1CCCN(Cc2cccc(Cl)c2O)C1	179931883	JQCAVNFELYHIHZ-CYBMUJFWSA-N	324.852	3.174	10	20	DGCD	
CS[C@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O	125320832	PCWKGTRYGVWMOI-GFCCVEGCSA-N	305.399	3.266	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccon1	183523382	MXLNKKCHRYPQPW-UHFFFAOYSA-N	314.389	3.329	10	20	DGCD	
Cc1nc(NCc2c(O)ccc3c2CCCC3)ccc1[N+](=O)[O-]	301667838	PEEOBYVAJNGRDZ-UHFFFAOYSA-N	313.357	3.495	10	20	DGCD	
C[C@@H](NC[C@@H](CO)c1ccccc1)c1ccc(F)c(F)c1O	187748084	IPZQRMZOZMTSEF-YPMHNXCESA-N	307.340	3.097	10	20	DGCD	
COc1cccc(CN2CC[C@]3(C2)OCc2ccccc23)c1O	186442239	XFAGKODFHNOKOV-LJQANCHMSA-N	311.381	3.032	10	20	DGCD	
COc1cc(NCc2cc(OC)c(OC)cc2O)ccc1F	188805576	MJHNKFJJNYIFAN-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
O=C1/C(=C/c2ccccc2)SC(=S)N1Cc1ccon1	130336806	ZLTJIQMQZNTWIB-WQLSENKSSA-N	302.380	3.076	10	20	DGCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)c1c(F)cccc1F	136463021	AJDIYVBDAJOCIK-LLVKDONJSA-N	305.324	3.433	10	20	DGCD	
C[C@H](N[C@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1O	192650619	APWVOUJQMONQJU-UFBFGSQYSA-N	317.216	3.018	10	20	DGCD	
Nc1ccc(CC(=O)NCc2ccccc2OC2CCCC2)cc1	237905437	UWQRHMXBDYBPCO-UHFFFAOYSA-N	324.424	3.449	10	20	DGCD	
COc1cccc(CN[C@@H](C)CCc2ccc(O)cc2)c1O	237227591	WFDXWCMRSIBAEO-ZDUSSCGKSA-N	301.386	3.217	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(F)c1	268420166	KXNRHKKHBUVBHT-UHFFFAOYSA-N	315.392	3.338	10	20	DGCD	
CCCN(Cc1ccccc1O)c1cc(C)nc(COC)n1	269409048	YSLCJUNRJNVMPD-UHFFFAOYSA-N	301.390	3.054	10	20	DGCD	
Cn1ccnc1[C@H]1CCCN(Cc2cccc(Cl)c2O)C1	365821338	PYOZXPUFEBSEFA-ZDUSSCGKSA-N	305.809	3.159	10	20	DGCD	
COc1ccc(CN(c2ccc(OC)c(F)c2)C(C)C)nn1	282968787	CRYVDENDQQEHQF-UHFFFAOYSA-N	305.353	3.048	10	20	DGCD	
Cc1ccc([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)c(C)c1	280158200	UPPQHRJOCJFAIY-AWEZNQCLSA-N	311.381	3.344	10	20	DGCD	
C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1O	282552670	XIZHIDGLKOVDGZ-ZANVPECISA-N	307.344	3.132	10	20	DGCD	
CN(C)c1ccc(CN2CCOc3cccc(F)c3C2)cc1F	802656169	LHIGTOFNKPBIIL-UHFFFAOYSA-N	318.367	3.425	10	20	DGCD	
C[C@H](NCCc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1	817957250	KEGYKEIEVKDNGW-FXAWDEMLSA-N	323.484	3.312	10	20	DGCD	
Oc1c(CN2CCC[C@@H](C3OCCO3)C2)ccc2ccccc12	816501206	ABVWBTCSPJOIDS-MRXNPFEDSA-N	313.397	3.130	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1nnc(C)o1	817299345	YMTBVQSEOONYFL-AWEZNQCLSA-N	301.390	3.222	10	20	DGCD	
CC(C)C[C@@H](CNC/C=C\c1ccc(N(C)C)cc1)C(=O)O	818629943	DWVAKRXSUBFBFX-KJPDOMRESA-N	304.434	3.102	10	20	DGCD	
CNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2O)c1	816524606	LPWFOTWRCOXAGH-UHFFFAOYSA-N	308.740	3.156	10	20	DGCD	
O=C1OCc2c(NCc3cc(Cl)c(F)cc3O)cccc21	816613452	VDNQTURQMKMSOL-UHFFFAOYSA-N	307.708	3.467	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2c[nH]ccc2=N)cc1F	817903341	NPEJWSRMRJFGOL-ZDUSSCGKSA-N	316.424	3.330	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@@H]1CCO[C@@H](c2ccncc2)C1	824955233	VKPYVNXDBZEBRT-NVXWUHKLSA-N	318.804	3.451	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H]1c1ccccc1	588405325	AVMPAVKQCNLPLQ-SLWQEBJJSA-N	309.365	3.475	10	20	DGCD	
CO[C@H]1CCC[C@@H]1CNCc1ccc(Br)cc1O	825405861	LFSWKKRXGOFWPS-RISCZKNCSA-N	314.223	3.059	10	20	DGCD	
COc1cccc(CN2CCOC[C@@H]2c2ccc(F)cc2)c1O	825046806	YBEANNYNOHPRBK-MRXNPFEDSA-N	317.360	3.113	10	20	DGCD	
COC(=O)CC1CC(NCc2cc(Cl)cc(Cl)c2O)C1	822480886	GDAURBRTJXSUPU-UHFFFAOYSA-N	318.200	3.130	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C1CCOCC1	732655830	CLAQDVPUSYQZFH-JXMROGBWSA-N	316.445	3.084	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccccc1Cl	588403274	DGCVVEANWXEHBI-VURMDHGXSA-N	303.745	3.081	10	20	DGCD	
CCc1ccc(C)nc1NCc1ccc(N2CCN(C)CC2)cc1	849347425	JAIPCFQIRQHJNJ-UHFFFAOYSA-N	324.472	3.316	10	20	DGCD	
CCOc1cc(NC(=O)NCCc2ccc(N)cc2)ccc1C	841101020	HALSDIQHHROEGR-UHFFFAOYSA-N	313.401	3.340	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C3=C(C)CCC3)CC2)cc1	746822571	RHDSQHGXANEGMS-UHFFFAOYSA-N	314.429	3.234	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1	841041711	ANLWMJNNMVJILX-UNLOAFCFSA-N	313.489	3.167	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	748459857	KOVKOFQEVZDNOM-DGXTUMSLSA-N	300.402	3.016	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc3c(c2)CCCO3)C1	921815218	IXNLSGWHWMRWIQ-JKSBSHDWSA-N	321.486	3.181	10	20	DGCD	
Cc1cc(Br)cc(CN2C[C@@H]3[C@@H](C2)C3(F)F)c1O	846111291	LDFVTGDJBIXGOB-GHMZBOCLSA-N	318.161	3.160	10	20	DGCD	
CC(C)C[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841960346	NTOKEIKHQFIZFB-MRXNPFEDSA-N	303.450	3.279	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@H]1CCCN1CC(F)(F)F	922707141	AMFGWKRSJCOEEW-SNVBAGLBSA-N	322.758	3.162	10	20	DGCD	
c1cnn(-c2ccc(CNCc3ccc4c(c3)CCCO4)cc2)c1	921536848	SFQXRWUTQGYEEP-UHFFFAOYSA-N	319.408	3.487	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](C)CCC(=O)O)cc1F	756314443	ZINKSLCASVJPKJ-CYBMUJFWSA-N	310.413	3.262	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCC2C[C@@H](C)O[C@H](C)C2)c1	858432838	NAYWEBWSNOBOSW-ZIAGYGMSSA-N	320.433	3.094	10	20	DGCD	
CCOc1ccc(CN[C@H](c2cnn(C)c2)C(C)C)c(O)c1	922893832	JAQDLOBHCZYNOV-KRWDZBQOSA-N	303.406	3.011	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3C[C@H]3C2)cc1F	852084185	LWZURCBBQWZAGV-CABCVRRESA-N	319.424	3.223	10	20	DGCD	
C[C@@H](NCC(=O)NC1CCCC1)c1ccc2ccccc2c1O	756703573	ADQRWTZKDGVFPP-CYBMUJFWSA-N	312.413	3.255	10	20	DGCD	
CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C12CCC2	756615092	VSFPVORDWWUSAF-IUIKQTSFSA-N	320.389	3.299	10	20	DGCD	
COc1cc(O)c(CN2CCc3ccc(C)cc3C2)cc1OC	853533635	LLVUJGKZDXLCLI-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
CC1(F)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	868111522	CUPSEGPABZKIMF-UHFFFAOYSA-N	319.424	3.320	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2CCSC2)c(C)n1-c1ccccc1	863165539	DRQDZCMSJGAHDE-HNNXBMFYSA-N	314.454	3.463	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](F)c2ccccc2)c1	769608294	UVCBMOJVTPYJBQ-ZBEGNZNMSA-N	303.333	3.289	10	20	DGCD	
CC[C@@H](NCc1c(O)nnc(C)c1C)c1ccc(N(C)C)cc1	1116459165	BUEGJUIQOPRTTG-QGZVFWFLSA-N	314.433	3.106	10	20	DGCD	
COC(=O)c1ccc(F)c(CN(C)c2ccc(OC)c(F)c2)c1	781336289	SEGHGFBSNXKWNA-UHFFFAOYSA-N	321.323	3.396	10	20	DGCD	
Oc1cccc(Br)c1CN1CCC(F)(F)CC1	707128882	CMHXXPORIVEXFR-UHFFFAOYSA-N	306.150	3.386	10	20	DGCD	
Cn1c(O)nc2ccc(NCc3cc(Cl)ccc3O)cc21	799740073	IKSHAFDEJKJBPT-UHFFFAOYSA-N	303.749	3.250	10	20	DGCD	
C[C@@H]1C[C@@H](CCNCc2c(O)ccc(Cl)c2F)CCO1	790986264	LJEWPRGPIMVQBB-MNOVXSKESA-N	301.789	3.480	10	20	DGCD	
COC(C)(C)CCNCc1cc(Br)ccc1O	711869076	HRZZMYXCBPVPTG-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@@H]2N(C)CCCC2(C)C)c1	790485068	IIKQOFIHOMOUDZ-KRWDZBQOSA-N	306.450	3.001	10	20	DGCD	
CCN(CC)c1ccc(CN(C)c2nnc(C(F)F)n2C)cc1	1339538558	GYDRXEVFCYLXFM-UHFFFAOYSA-N	323.391	3.235	10	20	DGCD	
Nc1ccc(CNC(=O)NC2(Cc3ccccc3)CCC2)cc1	1335724045	DYJLVYOSNRGLSE-UHFFFAOYSA-N	309.413	3.233	10	20	DGCD	
C[C@]1(NCc2cc(Cl)c(F)cc2O)CCCC[C@H]1C(=O)O	1609823236	IAFZLOCVZZNKPZ-BONVTDFDSA-N	315.772	3.308	10	20	DGCD	
C[C@H](NCC[C@@H](C)N1CCCCC1)c1cc(C(=O)O)ccc1O	1609779452	PSQCXRKDCRFTIZ-KGLIPLIRSA-N	320.433	3.006	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C)[C@H](C(=O)O)C(C)C)c(C)c1	1776857034	APDVZLCTOFVEDG-WMLDXEAASA-N	306.450	3.286	10	20	DGCD	
Nc1ccc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc1	160371106	IPMFTWPZSRYMFE-UHFFFAOYSA-N	312.369	3.079	10	20	DGCD	
CC[C@H](NCCCN1CCCCCC1=O)c1ccccc1O	154891289	WHOASYBNOZMFKL-INIZCTEOSA-N	304.434	3.226	10	20	DGCD	
C[C@@H]1CCc2c(C(=O)NCc3ccc(O)c(O)c3)csc2C1	159115469	AQWOGMRHMNCAHO-SNVBAGLBSA-N	317.410	3.214	10	20	DGCD	
COc1cccc(/C=C2\SC(=S)N(C3CC3)C2=O)c1OC	54499021	IUMPAHDWSXZAOL-WQLSENKSSA-N	321.423	3.067	10	20	DGCD	
CC(C)CN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1	57660802	ZCMMOHUUNLTTKZ-UHFFFAOYSA-N	315.461	3.399	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]2c2cccn2C)c1O	179706503	KWRMSWPGBRDXOE-MRXNPFEDSA-N	300.402	3.467	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1cccc(OC(F)(F)F)c1	76106263	UBLHYHDMNRQUBC-YVMONPNESA-N	305.302	3.074	10	20	DGCD	
C[C@]1(c2ccccc2)CN(Cc2cc(F)ccc2O)CCO1	180141078	KZSXVLFVVMBIIR-GOSISDBHSA-N	301.361	3.279	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)cc(F)c1	78926207	CNFVMDBYHPLUJE-UHFFFAOYSA-N	304.340	3.303	10	20	DGCD	
Oc1ccccc1CN1CCC(O)(Cc2cccc(F)c2)CC1	186589136	WESVZSWHWUQLMF-UHFFFAOYSA-N	315.388	3.101	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cccc2cccnc12	41091034	OKILASGLMKGKBX-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
C[C@H](NC[C@H](c1ccco1)N1CCCC1)c1ccccc1O	192916097	TUFZVDSMJOJPJR-GOEBONIOSA-N	300.402	3.473	10	20	DGCD	
CC(C)OCc1ccc(C(=O)NCCc2ccc(N)cc2)cc1	269152472	TYLHXIQWZZALLO-UHFFFAOYSA-N	312.413	3.166	10	20	DGCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccccc2O)C1	272659797	RFZCSXFBFXGTMC-ZIAGYGMSSA-N	320.433	3.127	10	20	DGCD	
CCOCc1cc(CNCCCCCC(=O)OC)ccc1OC	289749580	JAIGFTDMSXPVTO-UHFFFAOYSA-N	323.433	3.055	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2ccccn2c1	808094987	NAOOSUASONOLKW-UHFFFAOYSA-N	315.369	3.061	10	20	DGCD	
CCN(CC)c1ccc(CN=c2nc[nH]n2C(C)(C)C)cc1F	800814895	CSHCHKRRNXGMSH-UHFFFAOYSA-N	319.428	3.052	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCC(C)(C)COC	291988288	ZRFJVUUYCIIWDJ-UHFFFAOYSA-N	322.449	3.377	10	20	DGCD	
Cc1cccnc1CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	296640960	YBCGWGMPTADDSN-CYBMUJFWSA-N	315.373	3.287	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C1(c2ccc(N(C)C)cc2)CC1	293306117	IGMWUOQEXQZZQK-UHFFFAOYSA-N	324.424	3.148	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]3C[C@@H]32)cc1	806465381	VKPFBJZQYDWIQQ-RDJZCZTQSA-N	301.434	3.227	10	20	DGCD	
C[C@@H](NC[C@H](O)Cc1cccc(Cl)c1)c1ccccc1O	805747640	DPHJJQONTOSEJB-IUODEOHRSA-N	305.805	3.300	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@H](C)c2ccc(C)cc2O)s1	818357038	UUWCWMHQCBWRPC-MNOVXSKESA-N	320.414	3.356	10	20	DGCD	
CCC[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819583701	ZCINYRDAAXMHTA-CABCVRRESA-N	304.434	3.074	10	20	DGCD	
C[C@H](NC[C@@H]1CCCNC1)c1ccc(N2CCCCC2)c(F)c1	817945616	HVFSSQNUBLUIQB-JKSUJKDBSA-N	319.468	3.466	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCC1)c1ccc(N(C)C)cc1	823482827	YWOFXGOFTBAVMZ-AFAVFJNCSA-N	301.434	3.301	10	20	DGCD	
Oc1ccc(F)cc1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21	824892941	GUXKMFAGZXSEDV-CVEARBPZSA-N	305.393	3.312	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H](c2nncn2C)C(C)C)c(O)c1C	903066261	UKXRECYOGSGZJX-ZFWWWQNUSA-N	302.422	3.185	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccnc1	901707345	UXVHXHSYHNDSGZ-BEFAXECRSA-N	312.461	3.101	10	20	DGCD	
COC[C@H]1CCN(Cc2c(O)ccc3ccc(OC)cc23)C1	739868798	FMHUFPFTOSLMKM-ZDUSSCGKSA-N	301.386	3.022	10	20	DGCD	
C[C@@H](CN[C@H]1CCc2cccc(O)c21)N1CCc2ccccc2C1	834538702	WBKXQNZRNULWBF-KXBFYZLASA-N	322.452	3.416	10	20	DGCD	
O=C(O)C[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1	902010547	YTZZVBWSYMWDQL-KRWDZBQOSA-N	302.418	3.116	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC[C@H]1C	734517955	VSVHKMMPELOJNG-DYVFJYSZSA-N	303.450	3.439	10	20	DGCD	
COc1ccc2c(c1)CCN2Cc1ccc(C(=O)O)c(F)c1	832493801	UZFMWGQBGFSPPY-UHFFFAOYSA-N	301.317	3.095	10	20	DGCD	
COc1ccccc1CN(C)Cc1cc(C)cc(OC)c1O	915807962	RUSNBQDULAXZJF-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H]2CS[C@@H](C)C2)c1O	840959632	XPWRUPDZAACGPB-CABZTGNLSA-N	316.264	3.447	10	20	DGCD	
COc1ccc(CNC(=N)N[C@H](C)CCCC(C)C)c(O)c1	849025261	WMEZIOOLBMJJLC-CYBMUJFWSA-N	307.438	3.230	10	20	DGCD	
Cc1cc(C(=O)N2CCC[C@H](F)C2)c(C)n1-c1ccccn1	846631343	RZBKAPRNZXMTQG-AWEZNQCLSA-N	301.365	3.063	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(CCN(C)C)Cc1ccco1	840949255	SATHOVMUEJZPKK-UHFFFAOYSA-N	315.461	3.218	10	20	DGCD	
CC(C)CN(Cc1cnn(C)c1)Cc1c(O)ccc2ccncc12	840157232	UFCOKQYZROTXIC-UHFFFAOYSA-N	324.428	3.332	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](O)c2c(F)cccc2F)c1O	846154039	JDCNTVLBKJIEFM-YGRLFVJLSA-N	323.339	3.063	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2Cc3ccccc3[C@@H]2OC)c1	840956080	JVYNONYGDQUYOK-MJGOQNOKSA-N	313.397	3.193	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1F	858146354	VODFWDHHOFEWMN-JCURWCKSSA-N	324.415	3.324	10	20	DGCD	
CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc2ccccc2c1O	756775748	SLNVGFYXALSTJA-JCURWCKSSA-N	312.413	3.111	10	20	DGCD	
C[C@@H](NCc1csc(N(C)C)n1)c1cc(Cl)ccc1O	756638018	QHENLTXGQUJKMZ-SECBINFHSA-N	311.838	3.419	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O	851792100	KTMVVQTVYVHIRJ-BHYGNILZSA-N	316.445	3.052	10	20	DGCD	
CS[C@@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1	756946617	OPKQFJUNUMPAHT-AWEZNQCLSA-N	306.475	3.435	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)c2cc(C)n(C)c2C)cc1	754656139	DMYUEAWYLJULDL-UHFFFAOYSA-N	300.402	3.360	10	20	DGCD	
C[C@H](NC(=O)c1cc(O)cs1)c1nc(C2CCCCC2)no1	752808497	VGSMISXVWLFIAZ-VIFPVBQESA-N	321.402	3.375	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2COc3cc(F)ccc3C2)cc1C	850381921	LERLOVPRQMJRAX-MRXNPFEDSA-N	301.361	3.241	10	20	DGCD	
CCOCc1cc(CNC[C@@H]2CCCCN(C)C2)ccc1OC	858245689	WADLSFKJHSNTQD-KRWDZBQOSA-N	320.477	3.053	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1CO	857062219	ZCZGJLHJOUCBRJ-KOLCDFICSA-N	304.217	3.149	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CCCCc3c(Cl)cccc32)cn1	754584062	OUMUFKLDEVHXHU-CMDGGOBGSA-N	315.804	3.456	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@]1(C)CCOc2ccccc21	934705409	ZXXMBJJLPDIRMH-LJQANCHMSA-N	311.381	3.091	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCN(C)C1CCCCC1	769709478	JLUSBGHRNXFUIZ-UHFFFAOYSA-N	304.434	3.005	10	20	DGCD	
O=C(Cc1c(F)cccc1F)Nc1c(Cl)ccc2nonc12	1117547013	FQABVYYMECXUDD-UHFFFAOYSA-N	323.686	3.336	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@@H]2C[C@H]3CC[C@H]2C3)c1O	774983028	NJEILHIPKUKCJP-RWMBFGLXSA-N	320.389	3.225	10	20	DGCD	
Cc1cccc(O)c1CN1CC[C@@H](C(=O)N(C)c2ccccc2)C1	877494740	SMVMNZPHRFKSGF-MRXNPFEDSA-N	324.424	3.186	10	20	DGCD	
COc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1	775434560	KGUIPXYVQPWSIE-LBPRGKRZSA-N	314.389	3.039	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876525967	NYAHLDBVEGJARN-IYBDPMFKSA-N	302.462	3.126	10	20	DGCD	
COc1cc(CNCc2c(C)cccc2O)cc(OC)c1OC	876896596	IQICRFPMAUNQMH-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1C[C@@H](C)Oc2c(F)cccc21	775414860	MJOWPTMNMIOFFE-FMFIFOJESA-N	312.344	3.356	10	20	DGCD	
COc1cc(CN2CCC[C@H]2C2CCOCC2)c(O)cc1C	776771821	LCSPSLMHCXHFHN-INIZCTEOSA-N	305.418	3.100	10	20	DGCD	
Cc1nocc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	888746622	URCZDOMIWBWHTF-UHFFFAOYSA-N	316.405	3.492	10	20	DGCD	
CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccc(N)cc2)n1	1120263951	XQSQZUMGEMQBNA-CYBMUJFWSA-N	318.421	3.017	10	20	DGCD	
O=C(NCc1cccc(O)c1O)c1cc2c(s1)CCCCC2	1123977428	FWVXFQOPMZMZMU-UHFFFAOYSA-N	317.410	3.358	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCOC2(CCC2)C1	895485517	WFVXVYIHEUMEKE-INIZCTEOSA-N	316.445	3.060	10	20	DGCD	
CCC[C@@]1(NCc2cc(Cl)cc(C(C)=O)c2O)CCOC1	796440564	IHGJDKSYGMEKDR-MRXNPFEDSA-N	311.809	3.297	10	20	DGCD	
Cc1c(NC(=O)c2cc(O)cs2)cccc1NC(=O)N(C)C	792673947	RFQRHIZZLHTSJB-UHFFFAOYSA-N	319.386	3.108	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@H](C)CC(C)C)cc1C	1147395102	ZCWPEUSCDBCBBT-OAHLLOKOSA-N	320.477	3.282	10	20	DGCD	
CS[C@H]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1	1319082097	NKLXTTXZPMTQKP-HOTGVXAUSA-N	321.490	3.178	10	20	DGCD	
C[C@@H](N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C	1324725243	RNQDUQQRTOGRNL-OAHLLOKOSA-N	321.484	3.444	10	20	DGCD	
O=C(NCCCSc1nccs1)N[C@@H]1CCC[C@@H](F)C1	1329253950	QDKIZMKPASCYHK-GHMZBOCLSA-N	317.455	3.205	10	20	DGCD	
Nc1ccc(CNC(=O)NCC2(Cc3ccccc3)CCC2)cc1	1336064808	FHXPJKADRLCTMJ-UHFFFAOYSA-N	323.440	3.481	10	20	DGCD	
O=C(O)[C@H]1CCCCCN1Cc1cc(Cl)c(F)cc1O	1601817641	VZGKOPOPNADEMC-GFCCVEGCSA-N	301.745	3.014	10	20	DGCD	
C[C@@H]1CSc2ccccc2N(C(=O)/C=C/c2cnn(C)c2)C1	159668619	DGMXOTJMVMVHRO-GWJCSSMESA-N	313.426	3.208	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCONC(=O)OC(C)(C)C)c(O)c1	903239152	JGURTGBDCWBRHV-CYBMUJFWSA-N	324.421	3.198	10	20	DGCD	
CC[C@@H](C)NC(=O)CCN[C@H](C)c1ccc(N(C)CC)cc1	178715045	QHYZOBWHJOTJSM-HUUCEWRRSA-N	305.466	3.098	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)c1	114544163	DURBJPSXJXUDTO-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c(F)c1	111235096	MMHPMDKYABSAKN-ZDUSSCGKSA-N	316.376	3.299	10	20	DGCD	
COc1cc(CN2CCOC3(CCCCC3)C2)c(O)cc1C	179445268	NAVGAMPOZGVYQT-UHFFFAOYSA-N	305.418	3.244	10	20	DGCD	
COC(=O)CCCN(Cc1ccccc1)Cc1ccccc1O	179586813	KVOIVNBHISWQAN-UHFFFAOYSA-N	313.397	3.348	10	20	DGCD	
Cc1cccc(NC(=O)NCCCSc2nccs2)n1	123494612	ZUYAZNFKOICNIH-UHFFFAOYSA-N	308.432	3.150	10	20	DGCD	
CC(C)Oc1cccc([C@@H](C)NC(=O)c2cccc(O)c2O)c1	186944263	JOGNAQMJYJGNFM-GFCCVEGCSA-N	315.369	3.376	10	20	DGCD	
C[C@@H](NCCCN(C)CC(F)(F)F)c1cc(F)ccc1O	185027241	YMSBKQLRJFADDE-SNVBAGLBSA-N	308.319	3.066	10	20	DGCD	
C[C@@H]1C[C@H](c2cccnc2)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1	184768973	UEYZXSBWAZRAHW-MOCUHTECSA-N	324.380	3.116	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(CC(F)(F)F)[C@H](C)C2)c1	134820923	SCOHCOOEKUDALI-CYBMUJFWSA-N	316.367	3.077	10	20	DGCD	
CC(C)(C)c1cc(CNC2(C(N)=O)CC2)c(O)c(C(C)(C)C)c1	191488779	AHRCSHBGGZMCPI-UHFFFAOYSA-N	318.461	3.095	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CCO[C@@H](C)CC(C)C)c1	88360178	UYVXUOOKDSSIOQ-KBPBESRZSA-N	323.433	3.419	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cscn1	263695754	QXKKRAPGSAWJNK-UHFFFAOYSA-N	317.458	3.190	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCO[C@@H](C)C1	271584183	RKXHGEVJINUWCG-GJZGRUSLSA-N	320.433	3.129	10	20	DGCD	
CCOc1cccc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O	374159691	MFUINNOVCCRLKW-XKQJLSEDSA-N	305.418	3.084	10	20	DGCD	
C[C@H](N[C@@H]1CCCC12CCOCC2)c1cc([N+](=O)[O-])ccc1O	282702929	KZKJKWRMFXFFNF-BLLLJJGKSA-N	320.389	3.300	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)C(C)C	283549185	DSAWKKJEIZZYGQ-QGZVFWFLSA-N	322.449	3.375	10	20	DGCD	
CCCCN(C)C[C@H](C)NCc1c(O)ccc(Cl)c1F	808454960	RSISFGRFHRFYOR-NSHDSACASA-N	302.821	3.395	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncoc1C1CC1	293415474	ZHQWHXWKXNBNQD-UHFFFAOYSA-N	313.401	3.280	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C)s1	299549152	VRXUCADUKNPKOE-UHFFFAOYSA-N	303.431	3.180	10	20	DGCD	
CC(C)[C@H](CO)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	815626249	ZHYBNXQFEMRASP-QWRGUYRKSA-N	305.340	3.326	10	20	DGCD	
C[C@H](Cc1ccccc1Cl)C(=O)NCCc1ccc(N)cc1	818544763	MUWJUDKRUKOLIN-CYBMUJFWSA-N	316.832	3.460	10	20	DGCD	
CN(C)[C@H]1CCC[C@H](NCc2cc(Cl)c(F)cc2O)C1	816554813	JRVSQAMWKUHYON-RYUDHWBXSA-N	300.805	3.147	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)c3ccsc3)C2)cc1	819580389	IXHWBNPIWAWIRJ-CYBMUJFWSA-N	316.426	3.013	10	20	DGCD	
CO[C@H](CNCc1cc(Cl)ccc1O)Cc1ccccc1	824589448	CWKUHYIMQOZGCJ-INIZCTEOSA-N	305.805	3.393	10	20	DGCD	
CN(C)CCCC(C)(C)NCc1cc(Cl)c(F)cc1O	824913813	GGPZAWNILYTHGB-UHFFFAOYSA-N	302.821	3.395	10	20	DGCD	
C[C@@H](Cc1cnn(C)c1)N[C@@H](C)c1cc2c(cc1O)CCCC2	834896295	JXXOACPWINZWKK-KBPBESRZSA-N	313.445	3.286	10	20	DGCD	
Cc1cc(C(=O)O[C@H]2CCOC[C@H]2C)c(C)n1-c1ccccn1	835782196	ITRFMEJFZBFISH-WBMJQRKESA-N	314.385	3.071	10	20	DGCD	
CC[C@@H]1CC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	839145539	PZQWGNRCRKCODF-CJNGLKHVSA-N	310.388	3.080	10	20	DGCD	
COc1cc(F)cc2sc(NC(=O)c3cc(O)cs3)nc12	732287688	ZQTOFIUZYXQRFL-UHFFFAOYSA-N	324.358	3.463	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)c1	830544433	PVBWOGHDVHCUJO-QLPKVWCKSA-N	303.402	3.233	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1CCSC1=S	917411057	IGRZXNPESJMOSK-UHFFFAOYSA-N	323.531	3.254	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)Cc2ccc(O)cc2)c1O	846147234	UWOSZLRVQXSGGL-STQMWFEESA-N	301.386	3.388	10	20	DGCD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(N)cc2)cc1	841296749	HLCYQMQRCVEESG-DLBZAZTESA-N	311.385	3.345	10	20	DGCD	
C[C@H](NCCCCCCN)c1cc(Br)ccc1O	843341191	HHSHLXGQPSLEHP-NSHDSACASA-N	315.255	3.324	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCC(C)(C)O)c2C)c1	749407610	UXASUKCKPATAPA-UHFFFAOYSA-N	314.429	3.212	10	20	DGCD	
COc1cc(C)ccc1/C=C1/SC(=S)N(C2CC2)C1=O	841497358	WGRRBYFLXDMXLK-MDWZMJQESA-N	305.424	3.367	10	20	DGCD	
Nc1ccc(CCNCc2ccccc2OC(F)(F)F)cc1	841036956	QTTLJLXMRGBSDM-UHFFFAOYSA-N	310.319	3.500	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)C1CCOCC1	840892825	DQVVFVGORCKDJA-CVEARBPZSA-N	304.478	3.397	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](C)Cc2ccccn2)c1O	848925706	DEKUJYKWNFHEOX-NSHDSACASA-N	306.793	3.170	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1Cc2ccccc21	740742505	NSUMMQLRBALSJY-LJQANCHMSA-N	308.425	3.441	10	20	DGCD	
COc1cc2c(cc1CNCc1cc(Cl)ccc1O)OCO2	846054512	CWVRXDWCUOFOFB-UHFFFAOYSA-N	321.760	3.073	10	20	DGCD	
CCOc1cccc(CNC(=O)NCc2cc(C)ccc2O)c1	858144093	GESDQSDZBITNEP-UHFFFAOYSA-N	314.385	3.099	10	20	DGCD	
COc1cc(CNC[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1	850058947	GFDQFQMWYKDRRB-ZDUSSCGKSA-N	307.434	3.215	10	20	DGCD	
C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(O)c1	929527164	FRJSLGJOWLHENK-CQSZACIVSA-N	312.413	3.220	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCC2(N(C)C)Cc3ccccc3C2)c1	756598267	QXCREJCKRQBMEF-MRXNPFEDSA-N	324.468	3.450	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1C=CCC1	852505905	KSMUPYVNYOLZJS-JTQLQIEISA-N	301.173	3.217	10	20	DGCD	
C[C@H](N[C@H]1CCN(CC2CC2)C1)c1cc2c(cc1O)CCCC2	756556917	XROPAQCIIFPGCY-KSSFIOAISA-N	314.473	3.406	10	20	DGCD	
CC(C)[C@@H]1OCCC[C@H]1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756736363	MZBOTCYMNMUVDP-DCGLDWPTSA-N	322.405	3.402	10	20	DGCD	
CN(Cc1ccccn1)Cc1cccc(Br)c1O	757889906	MALQVPBSHRVIFI-UHFFFAOYSA-N	307.191	3.182	10	20	DGCD	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1O	766242830	RQMBCWADYQMCAS-UHFFFAOYSA-N	315.329	3.239	10	20	DGCD	
CCOc1ccc(CN(C)[C@H](CCO)c2ccccc2)c(O)c1	769424929	AJNIUSMARUSOKG-GOSISDBHSA-N	315.413	3.346	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1O	868165217	ZYEJTECMRHLWQG-HFBAOOFYSA-N	314.360	3.448	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CC[C@@H](CN2CCCC2)C1	775714439	PGFQVEHPRBKJFQ-LBPRGKRZSA-N	312.816	3.102	10	20	DGCD	
CC[C@@H](NCCC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1	772957888	INVGFRKNQSUHRR-MRXNPFEDSA-N	305.466	3.098	10	20	DGCD	
COc1ccccc1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773016010	SDJMWUYZPUVZFI-AWEZNQCLSA-N	312.413	3.181	10	20	DGCD	
CCc1cncc(C(=O)NCc2c(O)ccc3c2CCCC3)c1	789995317	GQKUIPGWISITDK-UHFFFAOYSA-N	310.397	3.158	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H]2CCSC2)c1O	271819331	MODOVCWVYZRXRR-LLVKDONJSA-N	302.237	3.058	10	20	DGCD	
COc1ccc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)c(O)c1OC	893497354	ISSMPSIUICIPKO-QEJZJMRPSA-N	305.418	3.420	10	20	DGCD	
COc1cc(NCc2cc3c(cc2O)OCO3)c(C)cc1C	793391585	ZTLDGCAVQGZWHX-UHFFFAOYSA-N	301.342	3.358	10	20	DGCD	
COc1ccc(CNC(=O)NCC(C)(C)CC(C)C)c(O)c1	792977767	NLOPJWNDWNTRLQ-UHFFFAOYSA-N	308.422	3.272	10	20	DGCD	
FC1(F)CC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1	797467950	DBGSKPDBZZWWGY-HNNXBMFYSA-N	310.388	3.048	10	20	DGCD	
CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1	799383212	GRQFUCISXUIMBE-CKEIUWERSA-N	319.449	3.023	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCOc1ncccc1F	1325357717	WMHNUIKLDNEYDF-TZMCWYRMSA-N	316.376	3.452	10	20	DGCD	
O[C@@]1(CNCc2ccc(N3CCCC3)cc2)CCc2ccccc21	1254197342	XXJSJEKMZAURSQ-OAQYLSRUSA-N	322.452	3.210	10	20	DGCD	
O=C(c1cccc2c1CCN2)N1CCN(C2CC2)c2ccccc21	1357527056	XHYNYBFOPZPVJI-UHFFFAOYSA-N	319.408	3.284	10	20	DGCD	
COc1ccc2c(c1)CCCN2[C@@H](C)c1ncc(C(=O)O)s1	1607294986	JAAKODPBGHUMAH-JTQLQIEISA-N	318.398	3.364	10	20	DGCD	
COc1ccccc1C/C(C)=C/C(=O)NCc1ccc(N)cc1	1579306547	VWQRYMONGDYQGI-WYMLVPIESA-N	310.397	3.083	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c(C)n1-c1ccccc1	153424252	UVUIITWMRUTLKM-WOVMCDHWSA-N	312.413	3.127	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)Cc2cscn2)c1O	50142262	WBEFPWXIKXPNTP-UHFFFAOYSA-N	310.806	3.337	10	20	DGCD	
COc1ccc(CN[C@H](C)CCNC(=O)OC(C)(C)C)cc1C	793602632	ZPAWWGRAPBKXCK-CQSZACIVSA-N	322.449	3.397	10	20	DGCD	
COc1ccc(NC(C)=O)cc1NCc1cc(C)ccc1O	103855426	PWUFGEFMXAVBCO-UHFFFAOYSA-N	300.358	3.280	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H]2CCC[C@H]2C1	176485958	VSZMBFDAYQYZAW-CALCHBBNSA-N	313.445	3.228	10	20	DGCD	
CC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(OC)cc1	63255970	ONZCPBCJCCTCNF-OAHLLOKOSA-N	315.369	3.370	10	20	DGCD	
COc1cccc(CN(C)CCOc2cccc(C)c2)c1O	121547896	UVXRLUZRMMOSLL-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
CCCOc1ccc(CN(C)CCC2CCOCC2)c(O)c1	129675477	KDKUXMADRUEUGO-UHFFFAOYSA-N	307.434	3.430	10	20	DGCD	
COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(C)c(C)cc1O)N2	78761224	PMZHUTKYDCNXKB-QGZVFWFLSA-N	312.369	3.214	10	20	DGCD	
CCN(Cc1ccccc1C)C(=O)/C=C/c1ccc(O)c(O)c1	180915305	FZKARKHMIMRJJM-PKNBQFBNSA-N	311.381	3.468	10	20	DGCD	
COc1ccc(Cl)c(NCc2cc3c(cc2O)OCO3)c1	43317216	YJZFGNOEDSFMFM-UHFFFAOYSA-N	307.733	3.395	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@](CC)(CO)C2)c(O)c1	190212108	GEDTXIXEMBVLGS-SFHVURJKSA-N	307.434	3.166	10	20	DGCD	
CC[C@H](NCc1ccccc1O)[C@@H](O)c1c(F)cccc1F	266341616	YLKVZFIGERBHIO-WMLDXEAASA-N	307.340	3.272	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2cc(C)ccc2O)[C@]12CCCO2	274274088	XDURTXNIISQXKK-BVPBIZIASA-N	305.418	3.078	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCOC[C@H]1c1ccco1	365266289	WCWODDBGXGDSEB-LBPRGKRZSA-N	311.740	3.351	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc3c(c2)CCC3)c1O	278846764	KQITWCZVJNOOOF-UHFFFAOYSA-N	314.341	3.410	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1	372116517	PFWKSTACFYCVCY-SFHVURJKSA-N	308.425	3.293	10	20	DGCD	
CC[C@H](N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(N(C)C)cc1	374527099	NUMPGFNRBXNERQ-NZSAHSFTSA-N	318.461	3.131	10	20	DGCD	
CCC[C@]1(NCc2ccc(OC)c(COCC)c2)CCOC1	285553169	QXALMJJJYNPXHD-SFHVURJKSA-N	307.434	3.281	10	20	DGCD	
CON(CC(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1	287081098	CDYPESGKIHIZAY-UHFFFAOYSA-N	311.401	3.011	10	20	DGCD	
O=C(CC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O	807839564	OWJPFSLGJASIRV-UHFFFAOYSA-N	302.079	3.268	10	20	DGCD	
Cc1cc(CN[C@@H]2CCc3cccc(O)c32)cc(N2CCCC2)n1	297482251	ZJFSIQKVRGSPKY-QGZVFWFLSA-N	323.440	3.473	10	20	DGCD	
C[C@H](N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])C1(C)CC1	385192268	NDSSDHVMOXBDST-XOIDGJRKSA-N	304.346	3.317	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@H](OC)C(C)(C)C2)c(O)c1	294706785	BPCUMXRXILONCX-QGZVFWFLSA-N	307.434	3.428	10	20	DGCD	
CC(=O)N1CCC(CN[C@H](C)c2cc(Cl)cc(C)c2O)CC1	808693232	WGPYOSGLSBZTRA-GFCCVEGCSA-N	324.852	3.263	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(C)C1)c1cc(Cl)cc(Cl)c1O	806137100	GVSXAQAOJQKATQ-ZWNOBZJWSA-N	303.233	3.444	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1	290387327	INHAIHAGXHRWBM-HNNXBMFYSA-N	301.390	3.078	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CC2(CCOC2)C1	294501872	RHOXTPIOCAFMEG-UHFFFAOYSA-N	316.426	3.018	10	20	DGCD	
CN(C)c1ccc(CNCCc2cc(C(F)(F)F)ccn2)cc1	293049274	TULXYHJCDGHQKU-UHFFFAOYSA-N	323.362	3.499	10	20	DGCD	
COc1cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)cc1C	811777272	IGVCSWNYWUGYPI-NVXWUHKLSA-N	305.418	3.099	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)c3ccoc3)C2)cc1	818345794	YCSINUYHZWLZCK-LSDHHAIUSA-N	300.402	3.465	10	20	DGCD	
CC(C)C[C@H](CNC/C=C\c1ccc(N(C)C)cc1)C(=O)O	818629945	DWVAKRXSUBFBFX-OGZRUICASA-N	304.434	3.102	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@H](O)CCc1ccccc1	816568464	HNDQJYCDDULVJC-CQSZACIVSA-N	323.795	3.268	10	20	DGCD	
CCc1cccc(CNCC2(CC(=O)NC)CCCCC2)c1O	827591415	PNQRVXHORNBMLE-UHFFFAOYSA-N	318.461	3.131	10	20	DGCD	
CCOc1ccc(N(C)C[C@@H](O)COc2ccc(F)cc2)cc1	739923162	YKDBUSNNPOPEMI-MRXNPFEDSA-N	319.376	3.101	10	20	DGCD	
Cc1ccc([C@@H](NCc2ccc(N(C)C)cc2)C(=O)O)cc1C	901850683	NSOPWBMDRYLZCQ-GOSISDBHSA-N	312.413	3.285	10	20	DGCD	
CCCCSCC(=O)NCCCSc1nccs1	733972333	DCDHLZOTRBMPSE-UHFFFAOYSA-N	304.506	3.275	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)CCCc2cccnc2)c1	834650101	GAEYKEFHFIQFMA-CQSZACIVSA-N	300.402	3.297	10	20	DGCD	
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(O)cs1	732267772	VHTNIWCWFBYFSK-CQSZACIVSA-N	319.382	3.264	10	20	DGCD	
CC[C@H](N[C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Cl)ccc1O	834912251	BXCLSODTYVGITL-QEJZJMRPSA-N	322.836	3.240	10	20	DGCD	
CCOCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C	918602462	JMVFRMUNBFLBIN-UHFFFAOYSA-N	300.402	3.169	10	20	DGCD	
Cc1cccc2c1CNCCN2Cc1cccc(Cl)c1O	841089605	LWPHALIOVWMOPR-UHFFFAOYSA-N	302.805	3.464	10	20	DGCD	
CCc1cccc(CNCCOc2ccc(Cl)cn2)c1O	848898063	POSVPEGUSXNSNN-UHFFFAOYSA-N	306.793	3.172	10	20	DGCD	
CCC(CC)[C@H](CCNCc1cc([N+](=O)[O-])ccc1O)OC	746759586	CXVQPMAFHLMYFD-INIZCTEOSA-N	310.394	3.231	10	20	DGCD	
C[C@]1(CCNC(=O)Nc2ccc(N)cc2)CC1(Cl)Cl	841297135	APASZHNJDRVMKU-LBPRGKRZSA-N	302.205	3.364	10	20	DGCD	
CC(C)NC(=N)NCc1ccc(N(C)C2CCCCC2)cc1	849065116	PSXBEOUQBFJIBI-UHFFFAOYSA-N	302.466	3.478	10	20	DGCD	
Cc1noc([C@@H]2CCCN(Cc3ccc(N(C)C)cc3C)C2)n1	840910842	MXBQPZAWBUPSEZ-MRXNPFEDSA-N	314.433	3.132	10	20	DGCD	
C[C@@H](CO)C1CCN(Cc2cc(Cl)cc(F)c2O)CC1	846058476	PPHXTEKMWYFOAS-JTQLQIEISA-N	301.789	3.025	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)NC(=O)CO2	840929398	KTOJTYNQIOLHBY-UHFFFAOYSA-N	311.385	3.004	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC=C(C)CC2)cc1	756681200	JTAKMLUMTHIMHZ-UHFFFAOYSA-N	301.434	3.394	10	20	DGCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@H]3C[C@@H]3C2)c1O	853576932	GXWAYFPZTYFNND-LSDHHAIUSA-N	323.392	3.171	10	20	DGCD	
CN(C)c1ccc(CNCc2cnn(C3CCC3)c2)cc1F	921623840	NODUQNAFCJKGJQ-UHFFFAOYSA-N	302.397	3.103	10	20	DGCD	
O=C(/C=C\c1cccnc1)N(CC(F)(F)F)c1ccccn1	751108769	UAYRFXUNOLHXOO-SREVYHEPSA-N	307.275	3.085	10	20	DGCD	
C[C@H](N[C@H]1C[C@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1	927151915	HZVHEBPQDVLTBO-DZKIICNBSA-N	306.425	3.238	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H](O)c1cc(F)c(F)c(F)c1)CC2	850580064	GJLUTNQETMGJNZ-DZGCQCFKSA-N	323.314	3.120	10	20	DGCD	
COc1cc(CN[C@H](C)CC(C)(C)O)c(O)c(C(C)(C)C)c1	850315742	KXUBMEAGIFLSAZ-GFCCVEGCSA-N	309.450	3.337	10	20	DGCD	
CCOc1ccc(CN(C)[C@H]2C[C@H](OCC)C2(C)C)c(O)c1	769474886	SWQZKCDJXDMQJC-IRXDYDNUSA-N	307.434	3.426	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cnc(C(C)(C)C)nc2)c1	860529344	DVNIDXYKBNPEEC-UHFFFAOYSA-N	314.389	3.110	10	20	DGCD	
COc1ccc(NC(=S)NNc2c(C)cccc2F)cc1	769764236	WOGDVKGSMYOZIW-UHFFFAOYSA-N	305.378	3.456	10	20	DGCD	
COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc(O)cs2)cc1	762287439	LGFYFXATBPZYKC-GFCCVEGCSA-N	319.426	3.413	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)c(F)c1	865428677	YXJCLBIUFIEIRL-UHFFFAOYSA-N	314.404	3.261	10	20	DGCD	
CCC1(O)CCC(NCc2ccc(N3CCCC3)cc2)CC1	1116460504	SKOIERZALYZULR-UHFFFAOYSA-N	302.462	3.460	10	20	DGCD	
Cc1ccc(CNc2cccc(OCCN(C)C)c2)c(O)c1	876842494	IQEFEICTKOVZBL-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C	769224885	ZXWJNWSBZKEYFD-GJZGRUSLSA-N	306.425	3.283	10	20	DGCD	
CO[C@@]1(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)CCOC1	774359426	PLQGXMBIXLBHHL-LKFCYVNXSA-N	320.216	3.155	10	20	DGCD	
Cc1cccc(O)c1CN1CCC(OCCOC(C)C)CC1	877575282	MVKNSQCCRUGFJT-UHFFFAOYSA-N	307.434	3.107	10	20	DGCD	
Cc1nonc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1O	872135530	FTAODXNFVHMGQF-LURJTMIESA-N	302.161	3.241	10	20	DGCD	
CCN(C)c1ccc(CN(C2CCC2)[C@@H](C)C(=O)OC)cc1	773888886	RWMQGGDCKNIKEG-AWEZNQCLSA-N	304.434	3.059	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]2CC(C)C)c1O	774834019	SDIHEERCOJXKPC-CYBMUJFWSA-N	308.378	3.320	10	20	DGCD	
C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCCN2C	779343838	CBPCSDPWNZKUHS-AWEZNQCLSA-N	318.461	3.279	10	20	DGCD	
CCOc1ccc(N(C)C(=O)c2ccc(C)c(O)c2O)cc1	780950833	UKEVBJFKBOMEIW-UHFFFAOYSA-N	301.342	3.082	10	20	DGCD	
COc1ccc(CNC[C@H]2CCC[C@@H]2C2CC2)c(O)c1OC	894890644	WQKPYCOSUMMPFY-UKRRQHHQSA-N	305.418	3.325	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCOc1ncccc1F	1325357711	WMHNUIKLDNEYDF-GXTWGEPZSA-N	316.376	3.452	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)[C@]4(F)CCOC4)ccc31)CCCC2	1344837625	TZSZSRZHGQQZRK-SFHVURJKSA-N	317.360	3.091	10	20	DGCD	
CC(C)[C@H]1C[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1262487840	HPZYWBDWAUDWGW-JOYOIKCWSA-N	323.780	3.266	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC(C3CC3)CC2)c([N+](=O)[O-])c1	1601880629	DPCADZHSYCABBQ-QHHAFSJGSA-N	316.357	3.319	10	20	DGCD	
C[C@H](N[C@@H](C)c1c(O)cccc1F)c1ncc(C(=O)O)s1	1593194873	AIVNDPZWMLTJSR-YUMQZZPRSA-N	310.350	3.098	10	20	DGCD	
O=C(O)c1cccc(N2CC=C(c3ccc(Cl)nc3)CC2)n1	1595248360	QKPLQUOUNVKOFY-UHFFFAOYSA-N	315.760	3.122	10	20	DGCD	
CCOCC(C)(C)CNCc1cc(Cl)cc(OC)c1O	290180424	NQYYCRXVSSBYHJ-UHFFFAOYSA-N	301.814	3.207	10	20	DGCD	
COC1(CNCc2c(O)cccc2Br)CCCC1	706884668	AROOVSFQTSVGDE-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
CC1(C)CN(Cc2c(O)cccc2Br)CCCO1	707145853	JDULKPIINYLFKL-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cn2ccc3ccccc32)c1	103529448	WDXIJOVDJFJHFL-ZDUSSCGKSA-N	324.380	3.233	10	20	DGCD	
Cc1nc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)oc1C	119582724	NLSSYSPGJAKNRR-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1	25962221	FXIPZQBBMXWZHT-ZWKOTPCHSA-N	312.388	3.312	10	20	DGCD	
COCc1cccc(CN[C@H](C)c2cc(OC)ccc2O)c1	121418710	GOYOVSPSAXQIGJ-CYBMUJFWSA-N	301.386	3.398	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC1(CN)CCCCC1	184174752	AOJLZWXMLQLMSZ-UHFFFAOYSA-N	318.461	3.430	10	20	DGCD	
O[C@H]1CCCC[C@@H]1CNCc1ccc(N2CCCCC2)cc1	77205594	BAAFTKSSRCXOAM-MJGOQNOKSA-N	302.462	3.318	10	20	DGCD	
COc1ccc(N2CCC(NC3CC(OC(C)C)C3)CC2)cc1	186552187	CXGJPILILHOOFA-UHFFFAOYSA-N	318.461	3.210	10	20	DGCD	
Cc1ccccc1C[C@H](CO)N[C@@H](C)c1ccc(F)cc1O	191573326	ZHBRARDJTKXZJG-XJKSGUPXSA-N	303.377	3.094	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)c2ccco2)c1	528859013	FUEOKLSJDFVDRD-NEPJUHHUSA-N	303.358	3.365	10	20	DGCD	
COc1cccc(CNc2cccc(-c3nnc(C)n3C)c2)c1O	361798382	KKSROGMJGGEOGX-UHFFFAOYSA-N	324.384	3.117	10	20	DGCD	
COC[C@@H](CN[C@H](C)c1cc(Cl)c(Cl)cc1O)OC	278643750	HQCOQQPMYJLEDF-RKDXNWHRSA-N	308.205	3.011	10	20	DGCD	
COc1cc(N2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])cc1OC	373670490	HKDPPRQWHQAKOB-MRXNPFEDSA-N	324.377	3.007	10	20	DGCD	
CC[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(F)cc1O	285977017	HLMUUMNZGMDINM-XCLFUZPHSA-N	301.427	3.119	10	20	DGCD	
CCC[C@@H](OC)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	297737854	OBYZZBSXCOCWFI-CQSZACIVSA-N	324.384	3.150	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)CCCNC(=O)OC(C)(C)C)c1	295115638	MJVWNZPZUCIHOM-AWEZNQCLSA-N	322.449	3.484	10	20	DGCD	
Cc1ccc(O)c(CN(CCN(C)C)Cc2ccccc2F)c1	809732501	LWEHWNQUBMSZRN-UHFFFAOYSA-N	316.420	3.404	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2noc(COC(C)C)n2)cc1C	290838463	ICEYVHUEIAWLLQ-ZDUSSCGKSA-N	319.405	3.162	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1cccc(Cn3cccn3)c1)CC2	295845083	FUNNJONTOUHGRP-SFHVURJKSA-N	319.408	3.414	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@@H]1C(=O)NC)c1cccc(Cl)c1O	806150154	MHIZBAIZENNQKA-UBHSHLNASA-N	310.825	3.001	10	20	DGCD	
COc1ccc(C[C@H](C)C(=O)Nc2ccc(N)cc2)cc1OC	818556250	DVSMCMDBTJVQTB-LBPRGKRZSA-N	314.385	3.103	10	20	DGCD	
CC(C)NCCCN[C@@H](C)c1ccc(Br)cc1O	817954277	WYXAGUGGOUGTHZ-NSHDSACASA-N	315.255	3.193	10	20	DGCD	
CC(C)[C@H]1C[C@@H](CC(=O)N[C@H](C)c2ccccc2O)CCO1	827941743	XNUSRGLPZITQHY-JKIFEVAISA-N	305.418	3.411	10	20	DGCD	
COc1ccccc1/C(C)=C/C(=O)NCc1ccc(N(C)C)cc1	727295835	AJISGLLJISSIFI-FYWRMAATSA-N	324.424	3.481	10	20	DGCD	
COc1cc(CN2CCC[C@@H](CO)[C@H]2C)c(O)c(C(C)(C)C)c1	826123353	LHEQONBVCLSFCI-KGLIPLIRSA-N	321.461	3.291	10	20	DGCD	
Cc1cccc(CN2CCC(OCCOC(C)C)CC2)c1O	825208018	QCRKNMZMGWVHHK-UHFFFAOYSA-N	307.434	3.107	10	20	DGCD	
O[C@H](COc1ccc(N2CCCC2)cc1)Cc1ccc(F)cc1	834369634	XHMLNYBNRDAEDO-SFHVURJKSA-N	315.388	3.408	10	20	DGCD	
CC(C)[C@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CCO1	904504724	SBWHEMGJRHJOPF-UKRRQHHQSA-N	301.390	3.161	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CCSCC1	839918547	MSAVMQHKLUCENU-AWEZNQCLSA-N	320.502	3.251	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1ccc(O)cc1)CC1CC1	830536475	RTPOVOPFKSJSSQ-UHFFFAOYSA-N	303.383	3.212	10	20	DGCD	
CN(C)c1ccc(CNc2nccc3c2C(=O)OC3(C)C)cc1	749096974	BYSNZDWSFNPHER-UHFFFAOYSA-N	311.385	3.165	10	20	DGCD	
CC(C)O[C@@H]1CCCN(Cc2c(O)ccc3ccncc23)C1	844716174	IJJMDGKNECWOBD-OAHLLOKOSA-N	300.402	3.330	10	20	DGCD	
CN(C)c1ccc(CNC2CCC(N)CC2)c(C(F)(F)F)c1	843104242	INFFHUAGBRLVGR-UHFFFAOYSA-N	315.383	3.131	10	20	DGCD	
CCc1cccc(CN(C)[C@@H](C(=O)OC)c2ccccc2)c1O	848887263	ROUFASVICCDYAS-QGZVFWFLSA-N	313.397	3.301	10	20	DGCD	
O=C(CCCOc1ccc(F)cc1F)NCc1ccccc1O	748346548	LSPFMYSOMFNTQL-UHFFFAOYSA-N	321.323	3.146	10	20	DGCD	
CCc1cccc(CNc2ccc3c(c2)N(C(N)=O)CC3)c1O	848907762	SSRWTNVIPGWCCF-UHFFFAOYSA-N	311.385	3.008	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CCO[C@@]3(CCSC3)C1)CCCO2	921862085	MLKFQJUHSDDFBM-AEFFLSMTSA-N	319.470	3.156	10	20	DGCD	
C[C@@H]1C[C@@H](NCCNc2ccccn2)c2c(O)ccc(F)c21	756604879	GVBUVLHJDWCEQP-DGCLKSJQSA-N	301.365	3.176	10	20	DGCD	
COC(=O)CN(Cc1cc(C)cc(C(C)(C)C)c1O)C1CC1	751952315	JDITWNMLAWCBHQ-UHFFFAOYSA-N	305.418	3.136	10	20	DGCD	
Cc1cccc2c1C(=O)N[C@H](c1cc(Cl)cc(F)c1O)N2	768265259	ASYOWESKZSQQCZ-CQSZACIVSA-N	306.724	3.347	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Cc2nc(C(C)C)c(C)s2)c1	862755885	MHXXZOAKLJCFPM-UHFFFAOYSA-N	318.442	3.448	10	20	DGCD	
CN(Cc1cc(F)c(N(C)C)cc1F)C[C@@H]1CCCC[C@H]1O	862300428	PBQUXVJSQSOTEH-YVEFUNNKSA-N	312.404	3.014	10	20	DGCD	
C[C@@H](NCc1nc(CCc2ccccc2)no1)c1ccccc1O	879648533	SJPBBYDIIUAYQD-CQSZACIVSA-N	323.396	3.411	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1O	775028250	OPZYWSMLCIWXSH-PJXYFTJBSA-N	308.378	3.223	10	20	DGCD	
CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c(F)cc1O	877845629	WCXYEQDFDYBISA-AWEZNQCLSA-N	306.724	3.381	10	20	DGCD	
CN1CCCC(C)(C)[C@@H]1CNCc1ccc(N2CCCC2)cc1	1116863812	OTHRJWWMQQARQM-IBGZPJMESA-N	315.505	3.497	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(Cl)cn1)c1ccc(N(C)C)cc1	773013334	DHWZKPPDSPEIHQ-LLVKDONJSA-N	303.793	3.292	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(Cl)c(F)cc1O)N2	877862063	GGXCVOWMNFLACP-AWEZNQCLSA-N	306.724	3.347	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@@H]1C[C@@H](O)c1ccco1	876807469	FASODUOLSUIYHP-RHSMWYFYSA-N	301.386	3.382	10	20	DGCD	
COC[C@H](NCc1ccc(C)cc1O)c1cccc(OC)c1	877626709	YLYDLLZBPXZWGJ-KRWDZBQOSA-N	301.386	3.187	10	20	DGCD	
CC(C)(C)OC(=O)C1CCN(Cc2cc(F)ccc2O)CC1	779009007	HEGQXANFZVYQDN-UHFFFAOYSA-N	309.381	3.085	10	20	DGCD	
COc1cc(CN(C)c2ccc(OC)c(F)c2)cc(OC)c1	780779595	OJDADFGEXLDUDH-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
O=C(CC1CCCCCC1)OCC(=O)c1ccc(O)c(O)c1	784034632	REVHVWJJQDCFPO-UHFFFAOYSA-N	306.358	3.184	10	20	DGCD	
CC(=O)CC(C)(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	788534380	OVQVCWNIRSCIDY-AWEZNQCLSA-N	304.434	3.325	10	20	DGCD	
COc1ccc(CN2CC(Cc3ccccc3)C2)c(O)c1OC	894820302	VIVMUGZPIQALTB-UHFFFAOYSA-N	313.397	3.084	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](c2cnn(C)c2)C(C)C)c1O	897080745	BHPUVCDEWLSFKJ-OAHLLOKOSA-N	323.824	3.275	10	20	DGCD	
CC1CCN(CCNCc2c(O)ccc(Cl)c2F)CC1	790950118	UERRGVJFCJUXNW-UHFFFAOYSA-N	300.805	3.006	10	20	DGCD	
COC(=O)[C@@H]1CC[C@H](N[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)C1	1331985268	VMAXFNRSTOCVMV-RFQIPJPRSA-N	303.402	3.180	10	20	DGCD	
CN1CCN(c2ccc(CNC3(C)CCCCC3)cc2F)CC1	1251726853	LJWAWXZBASRSOB-UHFFFAOYSA-N	319.468	3.390	10	20	DGCD	
COc1ccc(N2CCCN(c3cc(F)cc(C)n3)CC2)cc1	1336986293	BYBJMLXIHMOHOK-UHFFFAOYSA-N	315.392	3.254	10	20	DGCD	
Nc1ccc(CN2CCC[C@H](CN3CCCCCC3)C2)cc1	1356083630	WDQSPBQNEHCUQT-GOSISDBHSA-N	301.478	3.357	10	20	DGCD	
CCCOc1ccc(CN[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)cc1C	1605341824	NJYIWUCTARVRPJ-VKJFTORMSA-N	303.402	3.127	10	20	DGCD	
O=C(O)[C@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	1608624561	JTWKUJRQIKGXST-ONGXEEELSA-N	304.173	3.042	10	20	DGCD	
Nc1ccc(OC(=O)c2c(C(F)F)nc3ccccn23)cc1	1580449552	NUVCIVWCDTUHRS-UHFFFAOYSA-N	303.268	3.073	10	20	DGCD	
CC1(C)CCC[C@]1(NCc1ccc2c(c1)CCCO2)C(=O)O	1776552189	KYSPAHQXYVWPDV-SFHVURJKSA-N	303.402	3.135	10	20	DGCD	
O=C(NC1CC=CC1)N(Cc1ccco1)Cc1ccccc1O	154964622	OXMOXVGBMNHLQG-UHFFFAOYSA-N	312.369	3.416	10	20	DGCD	
CN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(N)cc1	877077777	UJDRISBWUQHDMA-KRWDZBQOSA-N	323.440	3.144	10	20	DGCD	
COc1ccc(O)c(CN2CCC(OC3CCCC3)CC2)c1	179950419	VGYDWUUTKGQRAB-UHFFFAOYSA-N	305.418	3.324	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCSC2)cc1	178906916	WRFMYHBWJQOPRL-MRXNPFEDSA-N	321.490	3.180	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)c(O)c1O	177660217	XOBQPCUNBXSJTQ-UHFFFAOYSA-N	309.268	3.260	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1	114543169	BNCLCGOSMFDWKZ-ZBFHGGJFSA-N	303.402	3.255	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)NCC(C)C)c2C)cc1	24713865	QKMJNCQYOOMNOS-UHFFFAOYSA-N	300.402	3.489	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCOC1	171026336	WYWBTODGEIGJPQ-KRWDZBQOSA-N	316.445	3.062	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H]2COC3(CCCCC3)O2)c(O)c1	186230637	QHAKACTYUQWQKB-GJZGRUSLSA-N	305.418	3.427	10	20	DGCD	
C[C@@H](N[C@H]1CCC[C@@H]1CCO)c1cc2c(cc1O)CCCC2	188002200	MAUXOPCQMKRLOT-LBTNJELSSA-N	303.446	3.473	10	20	DGCD	
Oc1cc2c(cc1CN1CCC(OC3CCCC3)CC1)OCO2	129054502	JVXGKRSTMLSLAG-UHFFFAOYSA-N	319.401	3.045	10	20	DGCD	
COCCCCN[C@H](C)c1cc(Br)ccc1O	185036927	XGFFSCJLNOAGHN-SNVBAGLBSA-N	302.212	3.232	10	20	DGCD	
COC(=O)N1CCC([C@H](C)N[C@@H](C)c2ccc(C)cc2O)CC1	186752216	QLZDIYUIRKVCDL-KBPBESRZSA-N	320.433	3.218	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C(C)(C)c2cccc(F)c2)cc1	128503246	MFYRMHLAIXRPOO-UHFFFAOYSA-N	314.404	3.486	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1	185164180	CYCVSHKKYHNJAN-LSDHHAIUSA-N	310.397	3.157	10	20	DGCD	
COc1ccc(-c2nnc(CSc3nccs3)o2)cc1	48875309	SMLPDHQWHJTGMD-UHFFFAOYSA-N	305.384	3.494	10	20	DGCD	
Cc1ccccc1-c1cc(NC(=O)c2cccc(O)c2O)n(C)n1	193117557	UKEVDVKZBBCNSN-UHFFFAOYSA-N	323.352	3.059	10	20	DGCD	
CCCCNC(=O)[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	92710290	UYHHCGJTNCWEAQ-ZDUSSCGKSA-N	324.852	3.174	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	286686929	GKMXXWGWTZMWLJ-RRFJBIMHSA-N	303.402	3.321	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1c(F)cncc1F	285418548	GJZJPMOMAAZDJS-SNVBAGLBSA-N	309.335	3.416	10	20	DGCD	
CC[C@@H](NCCOCCOC)c1cc(Cl)cc(Cl)c1O	287531034	DPZHVYCUVCGXCO-CYBMUJFWSA-N	322.232	3.403	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@H]1COc2ccccc21	808450793	AMQDXXBFWYTEDQ-JTQLQIEISA-N	307.752	3.451	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2c[nH]nc2C(C)(C)C)c1	813330717	FAPLIPBXFCTKAG-NSHDSACASA-N	303.406	3.272	10	20	DGCD	
CO[C@@H](C)[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F	811517673	YWZZYKPWJNGQNO-MNOVXSKESA-N	304.356	3.284	10	20	DGCD	
CCOc1ccc(CNCc2cccc(OC)c2O)c(C)c1	825915943	FMODTVXHGYQKGU-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
CC(C)C[C@H](C)CNCc1ccc(N2CCC(O)CC2)cc1	827662065	MFKHGFJPBMYDDO-INIZCTEOSA-N	304.478	3.420	10	20	DGCD	
Oc1c(Cl)cccc1CN[C@H]1CCO[C@H](c2ccncc2)C1	824955789	ZFQMYHTZHNFHJH-HOCLYGCPSA-N	318.804	3.451	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C\c2scnc2C)cc1OC	492748691	YKZFSEWISGIYBE-FPLPWBNLSA-N	318.398	3.145	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc([C@@H](C)N)cc1	829764561	OUECFVCZOAQZKK-CQSZACIVSA-N	311.429	3.011	10	20	DGCD	
CCc1ccc(C)nc1NCc1ccc([N+](=O)[O-])c(OC)c1O	826910327	FEQUPUFFIQSLSR-UHFFFAOYSA-N	317.345	3.187	10	20	DGCD	
C[C@@H](NC(=O)[C@@H](C)N1CCc2ccccc21)c1ccccc1O	827930603	MJYMQNFATWYQQZ-ZIAGYGMSSA-N	310.397	3.021	10	20	DGCD	
Oc1ccccc1CN(CCOCC1CCC1)C[C@@H]1CCCO1	842152884	JYNVNFRYZYHPOH-SFHVURJKSA-N	319.445	3.190	10	20	DGCD	
O=C(OCCCO)c1ccccc1N=Nc1ccc(O)cc1	744549930	DUVKBMORJKRPBO-UHFFFAOYSA-N	300.314	3.347	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC(NCC2CC2)CC1	843054228	HDNFAWFXSKTVHT-UHFFFAOYSA-N	312.816	3.149	10	20	DGCD	
CC(C)c1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1	841735045	OZTOITXNOARONW-UHFFFAOYSA-N	311.429	3.434	10	20	DGCD	
COC(=O)Cc1ccccc1CN[C@@H](C)c1ccc(C)cc1O	848573587	WCEZKFWRQUGJNR-AWEZNQCLSA-N	313.397	3.267	10	20	DGCD	
CC1(C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	741092165	YMBZWSHKOQBQFP-UHFFFAOYSA-N	313.445	3.394	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccoc2C)cc1	919780489	CRZLKDZQEWNMCJ-UHFFFAOYSA-N	315.417	3.434	10	20	DGCD	
Oc1ccc(Cl)cc1CNc1ccnc(N2CCCCC2)n1	845709487	RPIUWPNAJVRDAF-UHFFFAOYSA-N	318.808	3.438	10	20	DGCD	
CCOc1ccc(N(CC)Cc2noc3c2COCC3)cc1	929914211	WVQXZLKMSVHGMK-UHFFFAOYSA-N	302.374	3.173	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CCC[C@@H]([S@](C)=O)C2)c(O)c1	850501070	JPOJFMUOBOFHGD-ZLOLFTAESA-N	309.475	3.349	10	20	DGCD	
C[C@@H](N[C@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1O	850536647	IPGLNOJVUOKXQZ-QMTHXVAHSA-N	305.324	3.325	10	20	DGCD	
CC(C)CONC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	750470625	XTOLMXLWIPOUPY-UHFFFAOYSA-N	307.438	3.260	10	20	DGCD	
CC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc(N(CC)CC)cc1	857757942	XQBPYXZWVCXMOD-HZPDHXFCSA-N	319.493	3.268	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1	768913119	FNZKBBRRKADQDI-JYJNAYRXSA-N	318.461	3.238	10	20	DGCD	
CC[C@@H](O)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	763833173	MULLFWDNWRYICH-QGZVFWFLSA-N	314.429	3.293	10	20	DGCD	
COc1cccc(OCCN[C@H](C)c2ccc(N(C)C)cc2)c1	764760392	IRKMJCKTXDVMJM-OAHLLOKOSA-N	314.429	3.491	10	20	DGCD	
Cc1cccc2c1CCCN2Cc1cc2c(cc1O)OC[C@H]2O	768462908	OWRWOHPTUKHKFM-GOSISDBHSA-N	311.381	3.079	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)cc(C)nc1C	935944676	YIZNENORDDFGMT-UHFFFAOYSA-N	319.401	3.128	10	20	DGCD	
CC[C@H](C[C@@H](C)CO)NC1CCN(c2ccc(OC)cc2)CC1	766360891	OVVCGHOXEUUICE-HZPDHXFCSA-N	320.477	3.051	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2O)CC[C@H]1C(=O)OC(C)(C)C	862486098	VNOZKPUCBAGRSY-DZGCQCFKSA-N	305.418	3.192	10	20	DGCD	
C[C@H](O)CN(Cc1ccccc1)Cc1cc(Cl)ccc1O	768891321	CNFVNOBPKPAMCH-ZDUSSCGKSA-N	305.805	3.429	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1c1cccs1)[C@H](O)CO2	768442093	OUXNDXDYGKQGSR-DZGCQCFKSA-N	317.410	3.217	10	20	DGCD	
CC(C)(C)OC(=O)CCNCc1ccc(N2CCCC2)cc1	1116505367	GNUPDUBIMDRAQQ-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
CCOC(=O)c1[nH]c(C)c(CN[C@H](C)c2ccccc2O)c1C	877755551	DYGWRVBQXBVQPC-GFCCVEGCSA-N	316.401	3.365	10	20	DGCD	
CCc1cccc(CN2CCCN(C(=O)CC(C)C)CC2)c1O	877773138	GNQYKNAWSBZXQZ-UHFFFAOYSA-N	318.461	3.035	10	20	DGCD	
CCN(C)c1ccc(CN2CCN(c3cc(C)ccn3)CC2)cc1	773767138	XSFMZJMMXJIBPO-UHFFFAOYSA-N	324.472	3.168	10	20	DGCD	
COC(=O)c1oc(CN[C@H](C)c2ccc(N(C)C)cc2)cc1C	775834637	BMWRDGZAQYRPKI-CYBMUJFWSA-N	316.401	3.291	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@]1(C)CCCO1	788541038	BDLOFLCMZZAGSM-QAPCUYQASA-N	320.502	3.287	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)s1	78005208	AQQZCJYHCUZDNA-UHFFFAOYSA-N	303.792	3.216	10	20	DGCD	
CC[C@@H](NCc1cc(C)cc(OC)c1O)[C@@H](O)c1ccccc1	895476120	FUCLOIPIKOYTCY-AEFFLSMTSA-N	315.413	3.311	10	20	DGCD	
CC(C)n1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1	787298484	AKTPFKZOKPRVPG-CYBMUJFWSA-N	300.406	3.021	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc(F)c(N3CCOC3=O)c2)c1	793316988	FLHFFGABCSHBTN-UHFFFAOYSA-N	316.332	3.408	10	20	DGCD	
COc1ccc(CNc2ccnc(-c3ccccc3)n2)c(O)c1	795290525	UMXYVDGZUMOCGV-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
CSCCCN(C)C(=O)NCCCSc1nccs1	798437512	JHDRRVVWAHLGED-UHFFFAOYSA-N	319.521	3.020	10	20	DGCD	
COc1ccc(CNC(=O)NCCCCC(C)(C)C)c(O)c1	792904637	OQHOWBBGSMUKAC-UHFFFAOYSA-N	308.422	3.416	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC(c2cn[nH]c2)CC1	1319933029	KXUOURWENOSHHU-UHFFFAOYSA-N	310.445	3.390	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cccnc1Cl	1322263501	HSESIXUZJWGIPP-UHFFFAOYSA-N	309.112	3.177	10	20	DGCD	
CCCN1CCC[C@H]1CNCc1ccc(N2CCCC2)cc1	1327893642	WIGFZRQRPVOSJU-IBGZPJMESA-N	301.478	3.251	10	20	DGCD	
Cn1cc([C@H](N[C@@H]2CCc3cccc(O)c32)c2ccccc2)cn1	1324601147	HNFRJEYMBKUWKY-YLJYHZDGSA-N	319.408	3.492	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](C(N)=O)c1ccccc1	1339657800	HLZQEYUJCOBHES-DFHBCGBQSA-N	310.397	3.065	10	20	DGCD	
C[C@@H](CC(=O)OC(C)(C)C)NCc1cc(Cl)cc(F)c1O	1337262578	LUGXKINFXLSXFM-VIFPVBQESA-N	317.788	3.395	10	20	DGCD	
Cc1cc(C(=O)OC[C@@H]2CC[C@H](C)O2)c(C)n1-c1ccccn1	159273020	KEKJNWBKQXLMDO-ZFWWWQNUSA-N	314.385	3.213	10	20	DGCD	
COCCC1(CNCc2cc(Br)ccc2O)CC1	151173260	PFOGUIBBCNJASQ-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)Cc1ncnn1C	179646493	BEFOAGDONRMQNL-HNNXBMFYSA-N	322.412	3.284	10	20	DGCD	
COc1ccc(N2CCN(C(=O)c3cscc3C)CC2)cc1	175261677	PTPHQALPTGNVHU-UHFFFAOYSA-N	316.426	3.028	10	20	DGCD	
CC(C)OCCCN(Cc1ccccc1O)C[C@H]1CCCO1	119489095	YLJQGZDGVNJHJI-QGZVFWFLSA-N	307.434	3.188	10	20	DGCD	
CC(C)(CN1CCCC1)NCc1ccc(N2CCCC2)cc1	308613697	JRBUPACJTCSWPE-UHFFFAOYSA-N	301.478	3.251	10	20	DGCD	
CCOc1ccc(CNCc2cc(C)ccc2O)cc1OC	113321333	DFOIKUYLPMEGRS-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(C)c(C)cc1O)N2	78761229	PMZHUTKYDCNXKB-KRWDZBQOSA-N	312.369	3.214	10	20	DGCD	
C[C@H]1CCC[C@@]1(O)CNCc1cc(Cl)cc(Cl)c1O	328185132	OITMHFVOAZCODW-LKFCYVNXSA-N	304.217	3.340	10	20	DGCD	
Cc1ccnc(N2CCN(Cc3cc(Cl)ccc3O)CC2)c1	120902542	UQQYMSXYGRSDGV-UHFFFAOYSA-N	317.820	3.071	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCC(=O)N2CCCCCC2)c1	185251449	RHPCTCZVFSHGOQ-OAHLLOKOSA-N	304.434	3.144	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCCNc2ccccn2)c1	185325488	LTVJHIRORBUFGF-AWEZNQCLSA-N	315.417	3.339	10	20	DGCD	
Cc1nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)co1	186801066	TYKMVBKSUINEQO-UHFFFAOYSA-N	313.401	3.246	10	20	DGCD	
CC[C@](C)(O)CNCc1ccc(OCc2ccccc2)cc1O	183133928	ALJSYSXQBUMMNJ-IBGZPJMESA-N	315.413	3.222	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C[C@@H](O)c2ccco2)c1	185836176	MIEZQPCLGDNONR-MQIPJXDCSA-N	305.374	3.157	10	20	DGCD	
C[C@@H](CCNCc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C	222079569	MFNKNTHRXHHLDQ-ZDUSSCGKSA-N	320.433	3.014	10	20	DGCD	
CCN(Cc1ccoc1)Cc1ccc(N2CCOCC2)c(F)c1	92935874	KWGBKOQGMISEDY-UHFFFAOYSA-N	318.392	3.277	10	20	DGCD	
C[C@@H](NCc1cn2ccsc2n1)c1ccc(N(C)C)cc1	268818314	QTHVSNQRNQVXHM-GFCCVEGCSA-N	300.431	3.313	10	20	DGCD	
Cc1csc(CCCC(=O)N(C)Cc2ccccc2O)n1	283454114	OAXZSKADFQWHFU-UHFFFAOYSA-N	304.415	3.138	10	20	DGCD	
COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccccc1O	804398661	PFNZBFSSWPNQOS-UHFFFAOYSA-N	316.313	3.008	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCc2ncccc2C)c1	294937357	GPSWSAGJWYUZEB-AWEZNQCLSA-N	300.402	3.388	10	20	DGCD	
CCN(CC)c1ccc(CNCc2nn(C)cc2Cl)cc1	393502446	KCYYSADOUOTTKJ-UHFFFAOYSA-N	306.841	3.210	10	20	DGCD	
CCC(CC)(CCO)CNCc1cc(Cl)c(F)cc1O	816554150	QGRPBORXRLSOTB-UHFFFAOYSA-N	303.805	3.463	10	20	DGCD	
CC[C@@H](NCc1ccc2c(c1)CNC2)c1ccc(F)cc1O	817969740	ZBLOJKWNRWOGPM-QGZVFWFLSA-N	300.377	3.375	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2n[nH]cc2c1	726374693	KIVFVJUHRARSEA-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
Cc1cc(CN2CC[C@H](C)[C@@H]2CO)ccc1N1CCCCC1	829121354	TXUSSRIJHDCEDQ-KXBFYZLASA-N	302.462	3.188	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1occc1C	824241428	YTLHZJZAAYONKH-UHFFFAOYSA-N	300.402	3.245	10	20	DGCD	
COc1cc(CN(C)C[C@@H]2CCC[C@@H]2O)c(O)c(C(C)(C)C)c1	824920212	HYDMPWAVUUGECR-GUYCJALGSA-N	321.461	3.291	10	20	DGCD	
Cc1cccc(CNc2ccc(OCCN(C)C)c(F)c2)c1O	839191484	YVCVIRFQEFIAHV-UHFFFAOYSA-N	318.392	3.392	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H]2CCOC(C)(C)C2)c1O	835059014	FAKYXSRMUWQCSK-NSHDSACASA-N	313.825	3.349	10	20	DGCD	
CN(C)c1ccc(CN(C[C@]2(C)CCCNC2)C2CC2)cc1	904307722	VIHKIERGRDEDFK-LJQANCHMSA-N	301.478	3.107	10	20	DGCD	
COc1cccc(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1O	830541359	WQDOJYTXWGTDGZ-ZIAGYGMSSA-N	303.402	3.233	10	20	DGCD	
C[C@]1(NCc2ccc(N3CCOCC3)c(F)c2)CC=CCC1	839190833	DRGNLANAQYULGS-SFHVURJKSA-N	304.409	3.251	10	20	DGCD	
CCCCSCC(=O)N1CCOc2cc(N(C)C)ccc21	742952515	KVNAGNISJHIFMW-UHFFFAOYSA-N	308.447	3.011	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(OCc3ccccc3)cc2O)CO1	843432174	IRVGHLPEKCGYSC-RHSMWYFYSA-N	313.397	3.238	10	20	DGCD	
CCc1cccc(CN(C)Cc2ccc(C(=O)OC)cc2)c1O	848882682	YBBJBSIXAPZPAE-UHFFFAOYSA-N	313.397	3.373	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H]2c3ccccc3C[C@@H]2O)c2c(O)ccc(F)c21	848566328	VBKBWIPSKXSEFO-XEDJZSQJSA-N	313.372	3.328	10	20	DGCD	
O=C(NCc1ccccc1O)c1c[nH]cc1-c1ccc(F)cc1	743326123	BMUHMMINGBETSD-UHFFFAOYSA-N	310.328	3.456	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)C[C@H](O)c2ccco2)c1O	846151403	XTDRSYGKEYJPLL-OBJOEFQTSA-N	305.374	3.157	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(=O)c2ccc(C)cc2)cc1	916502428	KJTCCFIHHMXXSH-UHFFFAOYSA-N	324.424	3.340	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCCn3ccnc32)cc1F	848527856	GJDAYZQYLSRHIR-INIZCTEOSA-N	316.424	3.493	10	20	DGCD	
CCc1cccc(CNc2cccc(C[S@](C)=O)c2)c1O	848890824	MBFOHSLGWGVXMY-NRFANRHFSA-N	303.427	3.445	10	20	DGCD	
Cc1cccc(CN(C2CC2)[C@H](C)C(=O)OC(C)(C)C)c1O	840958761	RZELJNDUEJGRDX-CYBMUJFWSA-N	305.418	3.395	10	20	DGCD	
O=C(NCCCSc1nccs1)N1CCCC(F)(F)C1	845047379	SOHZPWVJVDRDNM-UHFFFAOYSA-N	321.418	3.066	10	20	DGCD	
COc1ccccc1-c1nnc(Sc2nccs2)n1C	914862415	CFEMBJJRPIIKAO-UHFFFAOYSA-N	304.400	3.098	10	20	DGCD	
CCn1nc(C)c([N+](=O)[O-])c1Sc1ncc(Cl)s1	853965494	XZWHLYKAFOQKHQ-UHFFFAOYSA-N	304.784	3.381	10	20	DGCD	
CCN(C)c1ccc(CN[C@@](C)(COC)C(F)(F)F)cc1	852719263	XYWPYSPSJMQPDN-AWEZNQCLSA-N	304.356	3.200	10	20	DGCD	
C[C@H](N[C@H](C)Cc1cnccn1)c1cc2c(cc1O)CCCC2	756495479	RQCDGMGXXGPOFJ-KGLIPLIRSA-N	311.429	3.343	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccccc2CO)c2c(O)ccc(F)c21	756459505	ORKDJHMXMWKENR-IAQYHMDHSA-N	301.361	3.362	10	20	DGCD	
CS[C@@H]1CC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1	858146925	CVOFTFYPRQTLRV-VXGBXAGGSA-N	300.418	3.405	10	20	DGCD	
CC(C)n1cc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cn1	756575920	RFCAOSBVUTYNAW-VXGBXAGGSA-N	318.377	3.490	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCOC1CCCCCC1	759596652	PBWZIAJJFARIES-CSKARUKUSA-N	320.385	3.394	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)c1cccs1	765767065	ZCHQGWICPULSLG-UHFFFAOYSA-N	312.188	3.146	10	20	DGCD	
Cn1c(Sc2ncc(Cl)s2)nnc1-c1ccncc1	764998587	GJFMRTGDRVCQJD-UHFFFAOYSA-N	309.807	3.138	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cccc3c2OC(C)(C)C3)c1	862753769	GXHQRLXDVPZWJP-UHFFFAOYSA-N	311.381	3.344	10	20	DGCD	
Cc1ccc([N+](=O)[O-])c(NCc2ccc3c(c2)CCCN3C)n1	765483427	SDDQJOCVKNPTTL-UHFFFAOYSA-N	312.373	3.293	10	20	DGCD	
COc1cccc([C@H](CNCc2ccc(C)cc2O)OC)c1	877647927	JOKYUIOSSDNSEK-SFHVURJKSA-N	301.386	3.187	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCN(Cc2ccsc2)CC1	775645929	BKPLSVYAGBMXBY-UHFFFAOYSA-N	322.861	3.425	10	20	DGCD	
OC1CCN(c2ccc(CN3CC4(CCCC4)C3)cc2)CC1	877533909	UTNHKKZDBXEZIR-UHFFFAOYSA-N	300.446	3.024	10	20	DGCD	
CSC[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773613337	QBEVTCMUDPOANC-CZUORRHYSA-N	321.490	3.351	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(N2CCCC2)cc1	779494768	ZKFMQYPWXSXECC-WMZJFQQLSA-N	324.380	3.350	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1=CCCCO1	770588057	YHLKJJDXTUVGCA-UHFFFAOYSA-N	320.352	3.029	10	20	DGCD	
CS[C@@H]1CC[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	773337568	AZDVQCFVJUSOJN-XNRPHZJLSA-N	321.490	3.397	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)c1cccc2c1CCCC2	776744590	LMIBHQBFAHQXHI-UHFFFAOYSA-N	303.383	3.072	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]2c2cn(C)nc2C)c(O)c1	770305953	WYFOHUIIQPRBJT-KRWDZBQOSA-N	315.417	3.170	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC12CCC2	770715345	DZCBREZPQIIZQS-OAHLLOKOSA-N	315.461	3.474	10	20	DGCD	
CC[C@@H](Nc1cccc2c1N(C)C(=O)CO2)c1ccccc1O	883397146	FLGJEOYLZHOEPC-CYBMUJFWSA-N	312.369	3.311	10	20	DGCD	
C[C@@H](NCc1cc(F)cc(F)c1O)[C@H](O)c1ccc(F)cc1	883003792	HXONSJOEPJETFI-PSLIRLAXSA-N	311.303	3.021	10	20	DGCD	
COc1cccc(C2(NCc3cc(F)cc(F)c3O)CC2)c1	883041069	YVJRVQYYDFVGOE-UHFFFAOYSA-N	305.324	3.458	10	20	DGCD	
C[C@@H](NCCOc1ncccc1Cl)c1c(O)cccc1F	886552347	ZPVOEIRWHVEUQW-SNVBAGLBSA-N	310.756	3.309	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cccc(C(F)F)c1	780389601	QFRUIHRACVMQRF-UHFFFAOYSA-N	313.325	3.439	10	20	DGCD	
C[C@H](NCc1cccc(CN(C)C)c1)c1c(O)cccc1F	886496753	GOMAQCUBOYNHHG-ZDUSSCGKSA-N	302.393	3.444	10	20	DGCD	
CCC(O)(CC)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	788104980	CAZGMABSWJCSBF-CQSZACIVSA-N	321.465	3.054	10	20	DGCD	
Cc1ccc(CN(C)Cc2cccc(Br)c2O)nc1	789594337	KPKQUHCOHQWEGC-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(O)c1O	792803778	WLBSZIUELOPPGK-NSHDSACASA-N	303.362	3.154	10	20	DGCD	
C[C@@H](NCc1ncc(CN(C)C)s1)c1ccc(N(C)C)cc1	796351074	DUXCMCRKKYHGIO-CYBMUJFWSA-N	318.490	3.122	10	20	DGCD	
Cc1cc(C)c(CNCc2c(O)cccc2Br)cn1	706809692	JCYXILALJHJPTM-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
CC[C@H](NC[C@H](CO)Cc1ccccc1)c1ccc(F)cc1O	796704157	XKFXLMYXBSCMFZ-QAPCUYQASA-N	317.404	3.423	10	20	DGCD	
CCOCc1cc(CN[C@@H]2CCCC[C@H]2N(C)C)ccc1OC	1322714451	QSWHLIHMPVJDCM-QZTJIDSGSA-N	320.477	3.194	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3cc(F)ccc32)c1	1329730336	DWGHVNDJWBMHIA-MRXNPFEDSA-N	314.360	3.326	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)[C@H](CO)c1ccccc1	1261256139	XBHLPXCSBPCYFE-HXUWFJFHSA-N	310.441	3.452	10	20	DGCD	
COc1ccc(N(C)Cc2[nH]cc(C(=O)O)c2C2CC2)cc1F	1607268477	WSJALUFJIZSNKF-UHFFFAOYSA-N	318.348	3.374	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)ncn2C)c1cc(C(=O)O)ccc1O	1609786518	OKDDRDOHKOBITQ-SNVBAGLBSA-N	311.341	3.150	10	20	DGCD	
CC[C@](C)(NCc1ccc(N2CCCCC2)c(C)c1)C(=O)O	1594852421	KZLPMBPXEVHKDV-SFHVURJKSA-N	304.434	3.328	10	20	DGCD	
C[C@H]1C[C@@H](CNCc2cccc(Br)c2O)CCO1	388683371	ISFRGNWGMVMELF-QWRGUYRKSA-N	314.223	3.059	10	20	DGCD	
Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c(C)n1-c1ccccn1	174254918	JWBYNINQLFUSOT-IYBDPMFKSA-N	309.413	3.217	10	20	DGCD	
CN(Cc1nc(-c2cccs2)no1)c1ccc2c(c1)OCO2	178878796	HJFXYKGAXWSMMJ-UHFFFAOYSA-N	315.354	3.163	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@@H](C)C2)c1	114591423	DWILBUURJXOVIT-OLZOCXBDSA-N	306.406	3.026	10	20	DGCD	
C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccccc1O	179585175	PISXLGGYPIOIFG-LRTDBIEQSA-N	303.427	3.323	10	20	DGCD	
Cc1nccn1C[C@@H](C)CN[C@@H](C)c1ccc(N(C)C)cc1	178698574	LPAXRYYTNDUZHG-GJZGRUSLSA-N	300.450	3.244	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccccc3C)C2)cc1	62574861	PRFNGKVRVUBBCR-INIZCTEOSA-N	324.424	3.260	10	20	DGCD	
CN(Cc1cc(Cl)cc(Cl)c1O)C[C@H]1CCC[C@H]1O	305743465	KAKGMIGYFIHDAY-NOZJJQNGSA-N	304.217	3.292	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2ccc(F)c(F)c2)c1	305775241	NHEWZKNAFXFIJT-BMLIUANNSA-N	323.339	3.063	10	20	DGCD	
C[C@H](N[C@H](C)CO[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2	185673652	CFHCFJITWLJPTD-JKIFEVAISA-N	319.445	3.116	10	20	DGCD	
C[C@@H](CCS(C)(=O)=O)N[C@H](C)c1ccc2ccccc2c1O	185791029	QDIJVLHHCNANGT-QWHCGFSZSA-N	321.442	3.019	10	20	DGCD	
N#Cc1c(F)cccc1C(=O)NCc1c(O)ccc2c1CCCC2	186900172	AEHIDBWUSVLSCT-UHFFFAOYSA-N	324.355	3.212	10	20	DGCD	
CCN1CCN(C(=O)/C=C/c2scnc2C)c2ccccc21	186487286	ZYFJRVDDBTWWPB-CMDGGOBGSA-N	313.426	3.338	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CC23CCCCC3)cc1	180031262	UAWPQSHAGWCXIX-MRXNPFEDSA-N	301.434	3.275	10	20	DGCD	
C[C@H](NCC[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O	187927198	BNFNMBDRVCYIMU-SCLBCKFNSA-N	303.377	3.480	10	20	DGCD	
CCN1C(=O)/C(=C\c2c(C)nc3sc(C)cn23)SC1=S	48391483	WXAKIHCIGONIFZ-BJMVGYQFSA-N	323.468	3.234	10	20	DGCD	
CN(Cc1ccc([S@@](C)=O)cc1)Cc1c(O)cccc1Cl	131734949	IHYKQVSPEOGALJ-NRFANRHFSA-N	323.845	3.415	10	20	DGCD	
Cc1nccc(-c2cccc(NC(=O)Cc3ccc(N)cc3)c2)n1	195184573	XIANWHFFCXSDFI-UHFFFAOYSA-N	318.380	3.215	10	20	DGCD	
CCCc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1	148637115	QANIHSIGGLPGDQ-UHFFFAOYSA-N	305.399	3.454	10	20	DGCD	
CC[C@@H]1CCCCN1CCN[C@H](C)c1cc(OC)ccc1O	248482318	BZZKCVXWYFOUIL-HUUCEWRRSA-N	306.450	3.316	10	20	DGCD	
Cc1c(CNC(=O)N2CCC(CF)CC2)n(C)c2ccccc12	454873333	KUZRWRFZEHKNNN-UHFFFAOYSA-N	317.408	3.378	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCCC[C@@H]1Cc1ccccc1	279397093	WDLOBGRLJXSTDC-OAHLLOKOSA-N	311.381	3.335	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)C[C@H]1C	270658269	SJUUBVDHHHMRBY-KDOFPFPSSA-N	316.445	3.106	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCN3CCC[C@H]3C2)cc1	370675775	FBZQVDYKSJHZAK-WDYCEAGBSA-N	301.478	3.420	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@H](CO)Cc2ccc(F)cc2)c(O)c1	284975041	FWEVTFBMXSXRGN-PBHICJAKSA-N	317.404	3.402	10	20	DGCD	
CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2ccc(F)c(F)c2O)C1	281074560	OMQJPUWXWOMCHC-AXFHLTTASA-N	313.344	3.053	10	20	DGCD	
COc1ccncc1CN(Cc1ccc(N(C)C)cc1)C1CC1	287193374	HVPQUVFGMVSMBG-UHFFFAOYSA-N	311.429	3.321	10	20	DGCD	
CC[C@@H](NCC[C@H](O)COC)c1cc(Cl)cc(Cl)c1O	806149757	HHJGOHGNMCLDGM-GXFFZTMASA-N	322.232	3.137	10	20	DGCD	
CCOC(=O)c1ccc(CNCc2c(O)cccc2Cl)o1	809743101	LQJLZGVZLMCPGR-UHFFFAOYSA-N	309.749	3.105	10	20	DGCD	
C[C@H](NCCc1ccn(C)n1)c1cccc(C(F)(F)F)c1O	815616296	KWEVFMKHQGGTJM-JTQLQIEISA-N	313.323	3.038	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2nc(C)n(C)n2)c1C	816721825	UGSLDZRAESKLII-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
Cc1cccc([C@@H](O)CNCc2cc(Cl)c(F)cc2O)c1	816556608	OMRNXLOWWZUPHS-INIZCTEOSA-N	309.768	3.316	10	20	DGCD	
CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CC(C)(C)OC1=O	814179609	WGNISQVIGNNYME-NSHDSACASA-N	318.200	3.225	10	20	DGCD	
CCCN1C[C@@H](CN[C@H](CC)c2ccc(N(C)C)cc2)CC1=O	817588446	FSNZPQSKPASHFT-CRAIPNDOSA-N	317.477	3.052	10	20	DGCD	
CCOCc1cc(CN[C@H](C)c2nccn2CC)ccc1OC	825005381	JBTYJUULPZEYOH-CQSZACIVSA-N	317.433	3.299	10	20	DGCD	
CN(C)c1ccc(OC[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1	902358381	IJBKXIMNTVBOJY-HNNXBMFYSA-N	318.461	3.416	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)/C=C(/C)c1cnccn1	827081831	VTVNUMQZQFBPJV-KAMYIIQDSA-N	311.385	3.024	10	20	DGCD	
C[C@@H]1CC[C@H](CNCc2ccc(N(C)C)cc2C(F)(F)F)O1	835085954	DCBLMBKEYLNRNJ-BXUZGUMPSA-N	316.367	3.429	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1N(C)C	831166522	UACDZQPAMOKVNI-QRQLOZEOSA-N	302.462	3.186	10	20	DGCD	
Cc1cc(O)c(CN2CCNC[C@@H]2c2cccc(F)c2)cc1C	843120028	ZSSMEIMUOLQBNA-GOSISDBHSA-N	314.404	3.295	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@@H](CCC(=O)O)C2(C)C)cc1C	849232181	SOVUYKSUGGHCRY-ZBFHGGJFSA-N	305.418	3.373	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](Cn2ccnc2)C(C)(C)C)c1O	846145036	ODWLNABXYFYLIZ-XJKSGUPXSA-N	317.433	3.363	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](C)[C@H]1C	842177513	IBDBTHBVSZMQMX-FRRDWIJNSA-N	307.413	3.078	10	20	DGCD	
CCc1cccc(CNCc2ccc(Cn3cccn3)cc2)c1O	848889703	ANRUKACKHQJQSN-UHFFFAOYSA-N	321.424	3.489	10	20	DGCD	
COc1cc(CNCc2cc(Cl)ccc2O)cc2c1OCO2	846058209	OAORXWCDIYBNMO-UHFFFAOYSA-N	321.760	3.073	10	20	DGCD	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)c2cc(O)cs2)C1	846972130	MATNVXCITVQLSD-NGFQHRJXSA-N	323.458	3.246	10	20	DGCD	
O=C(NCc1cc2c(s1)CCCC2)NCc1ccccc1O	748460334	BVJVDJGESWEMMO-UHFFFAOYSA-N	316.426	3.332	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCN(c3ccccc3F)C2)c1O	848912498	GNFKHALGPFOGJQ-MRXNPFEDSA-N	314.404	3.462	10	20	DGCD	
COc1ccc(C2(C(=O)NCc3ccccc3O)CCC2)cc1	749531863	VHONTSJMXZRNIC-UHFFFAOYSA-N	311.381	3.139	10	20	DGCD	
C[C@H]1C[C@@H](N[C@H](CO)c2ccccc2)c2c(O)ccc(F)c21	756584854	HDTJTWQPBFDWFW-NILFDRSVSA-N	301.361	3.403	10	20	DGCD	
CC[S@](C)(=O)=NC(=O)c1sccc1-n1c(C)ccc1C	925847477	SQNFCKPTAGKYFV-FQEVSTJZSA-N	310.444	3.414	10	20	DGCD	
CN1CCCc2cc(CNCc3cnn(C4CCC4)c3)ccc21	921625961	TXPYFZCKKLVGOW-UHFFFAOYSA-N	310.445	3.280	10	20	DGCD	
CCCCC[C@H](C)NC(=O)CN(C)c1ccc(OC)c(F)c1	757850970	ANESGBHTNUFXIB-ZDUSSCGKSA-N	310.413	3.356	10	20	DGCD	
CC1(C)CCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1	850565688	HILWOFPIPCPRGT-GOSISDBHSA-N	302.462	3.316	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O	756710190	BUXUAQJUSYWULX-ZUZCIYMTSA-N	323.339	3.063	10	20	DGCD	
COc1cc(CNCCN(C)C(C)C)c(O)c(C(C)(C)C)c1	850113627	OYTCQWYOGGCBKN-UHFFFAOYSA-N	308.466	3.128	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H](CO)Cc2ccccc2)c2c(O)ccc(F)c21	756586273	QDPRQKHYKWTPDS-XNRPHZJLSA-N	315.388	3.273	10	20	DGCD	
COc1ccc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	756342165	ODJFXEGQCZUINM-LBPRGKRZSA-N	316.357	3.202	10	20	DGCD	
CC(C)N(CCCNC(=O)N[C@H](C)c1ccccc1O)C(C)C	868379595	MPBZGICHIRMNEC-OAHLLOKOSA-N	321.465	3.261	10	20	DGCD	
CCN(CCC1CC1)Cc1ccc(N2CCN(C)CC2)cc1	761225389	GOEUPQBSAUWNJF-UHFFFAOYSA-N	301.478	3.060	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cccc2c1CCOC2	864015926	MVSHQXUTVMFJBL-UHFFFAOYSA-N	324.424	3.224	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H](F)c2ccccc2)cc1F	768988200	PEEPKIFTBNFFJT-MRXNPFEDSA-N	304.340	3.219	10	20	DGCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)c2ccccc21	768462490	LYURVGAVWMBGRU-KPZWWZAWSA-N	311.381	3.332	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H](OCC3CC3)C2)c(O)c1	779187882	AOULLGVRSVNNAI-QGZVFWFLSA-N	305.418	3.182	10	20	DGCD	
CCN(C(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(OC)c1	779501660	WRNCYVIRPOLSIX-NTMALXAHSA-N	313.353	3.173	10	20	DGCD	
C[C@H](NCc1nnc(-c2ccco2)o1)c1ccc(N(C)C)cc1	775832084	XFRZPSLRJIAQJM-LBPRGKRZSA-N	312.373	3.246	10	20	DGCD	
COC(=O)CCc1cccc(NCc2cc(F)ccc2O)c1	786577841	PZPIOBSMDPYEPX-UHFFFAOYSA-N	303.333	3.249	10	20	DGCD	
Cc1ccc(C[C@@H](C)NC(=O)NCc2ccc(N)cc2)s1	1120513465	LIVKSSVJKFDNMR-LLVKDONJSA-N	303.431	3.069	10	20	DGCD	
CCc1onc(C)c1/C=C1\SC(N2CCCCC2)=NC1=O	899341576	DEOKFFPIXYOWJB-LCYFTJDESA-N	305.403	3.002	10	20	DGCD	
CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C[C@@H](C)OC	782462558	DDPRSMUCKJJBBW-MRXNPFEDSA-N	320.477	3.159	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2CCC[C@H]1C2	893136437	UWEBHBXEGLIJBR-WMZOPIPTSA-N	311.429	3.147	10	20	DGCD	
C[C@H](NCCC[C@@H](C)O)c1cc(Br)cc(F)c1O	788604264	JGIRTHKKNHAORR-BDAKNGLRSA-N	320.202	3.105	10	20	DGCD	
COc1ccc(N2CCC(NCc3cnccc3C)CC2)cc1	792950831	LPLBABFKAMBVRR-UHFFFAOYSA-N	311.429	3.157	10	20	DGCD	
CSc1cc(O)ccc1NS(=O)(=O)c1sccc1C	792702965	LAAJOTJSLRCYID-UHFFFAOYSA-N	315.441	3.285	10	20	DGCD	
CC(C)N1CCCN(Cc2ccc(N3CCCC3)cc2)CC1	1319784472	FUWVEWZJFXDZHP-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
CCN(Cc1cc(C)[nH]n1)Cc1cc(Br)ccc1O	1319716315	GEVPSRCVYVVCBN-UHFFFAOYSA-N	324.222	3.208	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@H]2Cc2ccccc2)cc1	1336291115	ZHCGRDZQWLOAMR-SFHVURJKSA-N	309.413	3.186	10	20	DGCD	
Clc1nccnc1NCc1ccc(N2CCSCC2)cc1	1342830813	RABOSLQLMBNDFS-UHFFFAOYSA-N	320.849	3.295	10	20	DGCD	
CC[C@H](C)n1nccc1C(=O)N(C)Cc1ccc(N(C)C)cc1	1518800920	QGGAHVWDLYQSQX-AWEZNQCLSA-N	314.433	3.192	10	20	DGCD	
O=C(O)c1cnc(Sc2ccnc(-c3ccccc3)n2)s1	1602535215	WVEIZIQTOWTUDI-UHFFFAOYSA-N	315.379	3.450	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2[C@H]3CCCN[C@H]3C2(C)C)cc1Cl	1579637973	LIPXYWIRYSDGOU-APHBMKBZSA-N	308.853	3.220	10	20	DGCD	
C[C@](NCc1cc(Cl)cc(F)c1O)(C(=O)O)c1ccccc1	1589129597	VKEFIGATTWGINZ-MRXNPFEDSA-N	323.751	3.274	10	20	DGCD	
O=C(O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1	1595107375	RHXLMHFDVGGBBI-UHFFFAOYSA-N	300.270	3.049	10	20	DGCD	
C[C@@H](NCC(C)(C)c1cccnc1)c1cc(C(=O)O)ccc1O	1593241265	YYSYDKQNVNNNLE-GFCCVEGCSA-N	314.385	3.114	10	20	DGCD	
CCC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	152495390	LHKUQSHTFTXXES-HNNXBMFYSA-N	307.434	3.396	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(C(N)=O)cc2)cc1F	127843115	GTXOHRPULSGWPU-UHFFFAOYSA-N	315.392	3.383	10	20	DGCD	
CC[C@@H]1C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1	184058518	ITCCMSSJLIQIKD-HUUCEWRRSA-N	317.429	3.092	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(C(N)=O)ccc2F)cc1	319663009	GYEBIHBYGBXIJS-UHFFFAOYSA-N	315.392	3.383	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COC1CCCC1	45013207	SCJJGWXVBDXWKQ-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1O	48915884	PHOSUMITCAMHFP-IINYFYTJSA-N	311.809	3.248	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CCOC3(CCC3)C2)c(O)c1	268981702	QWTABCGXQQLVNJ-OAHLLOKOSA-N	305.418	3.372	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCSC1	266836795	VRPGEIDOSAVTSE-HNNXBMFYSA-N	321.490	3.178	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)[C@@H](OC)c2ccc(F)cc2)c1	271850131	SWSOWQVVIZJRFY-KPZWWZAWSA-N	319.376	3.406	10	20	DGCD	
Cc1cccc([C@@H](NCc2ccc(N(C)C)cc2)C(=O)O)c1C	277207968	HBPIZMGMBNTNHK-GOSISDBHSA-N	312.413	3.285	10	20	DGCD	
Cc1nc(CCN[C@@H](C)c2cc(Cl)c(Cl)cc2O)n[nH]1	278637096	HHQFMZMPQDGKRV-ZETCQYMHSA-N	315.204	3.019	10	20	DGCD	
Cn1ccnc1[C@H]1CCN(Cc2c(O)ccc3ccccc23)C1	372880755	LECIEJSRWNUTRU-HNNXBMFYSA-N	307.397	3.268	10	20	DGCD	
C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1cc(F)ccc1O	273447763	FKQFEWSWFPLVEN-NSHDSACASA-N	323.389	3.249	10	20	DGCD	
Cc1ccc([C@H](C)NCC(=O)N(C)C2CCCCC2)c(O)c1	273623208	ZTFPZLUJNZDSAA-AWEZNQCLSA-N	304.434	3.142	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCC[C@@H](C)O)c1C	279125447	MMSPLWTWUHLPEZ-OAHLLOKOSA-N	314.429	3.293	10	20	DGCD	
OC[C@@H](NCc1ccc(N2CCCCC2)cc1)C1CCCC1	386251649	LEOOAVHVDXUKHW-LJQANCHMSA-N	302.462	3.318	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C(C)(C)C)on1	808095286	XFCIRKVGDPIFKH-UHFFFAOYSA-N	323.389	3.093	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CSC(F)F)cc1	294484200	OFFAVQVONPYHEX-UHFFFAOYSA-N	302.390	3.105	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cccnc2F)cc1	806325539	GAGJXMVLTVHLQO-UHFFFAOYSA-N	315.392	3.339	10	20	DGCD	
Cc1ccccc1-c1nnc(N(C)Cc2ccccc2O)n1C	809844984	ZKMJTDYZHCHLBR-UHFFFAOYSA-N	308.385	3.133	10	20	DGCD	
Cc1cc(CN2CCC[C@H](C3(C)OCCO3)C2)ccc1N(C)C	294450805	FUAMNIMEEMNYSG-KRWDZBQOSA-N	318.461	3.036	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1ccccc1	808094522	RXGYRNIRJAPTIY-CYBMUJFWSA-N	304.386	3.298	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2c(C)ccnc2C)c1	806538050	SYQMFODUPTXJRS-LLVKDONJSA-N	315.373	3.295	10	20	DGCD	
CC(C)(CO)[C@@H](NCc1cc(F)ccc1O)c1ccccc1	809656264	YYBQPGJVSNXDRH-KRWDZBQOSA-N	303.377	3.381	10	20	DGCD	
Oc1ccccc1[C@H](CCc1ccccc1)N[C@@H]1CCCNC1	817942108	WTVRFSKNTMIUPH-MJGOQNOKSA-N	310.441	3.408	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC2(CCNCC2)C[C@@H]1C	818430889	BABMAXNRRUYRFK-INIZCTEOSA-N	301.478	3.025	10	20	DGCD	
Cc1cc(CN2CC[C@@H](C)[C@@H]2CO)ccc1N1CCCCC1	829121347	TXUSSRIJHDCEDQ-BEFAXECRSA-N	302.462	3.188	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CC12CCSCC2)c1ccc(N(C)C)cc1	828862746	YGPZPVFSAMWYNW-BBRMVZONSA-N	318.486	3.463	10	20	DGCD	
Cc1c(CNC(=O)N2CCC[C@@H](F)C2)n(C)c2ccccc12	584533658	IRIIXEXEBSOHFB-CYBMUJFWSA-N	303.381	3.130	10	20	DGCD	
CC1CCN(c2ccc(CNc3nc(C(=O)O)co3)cc2)CC1	844209459	SUNCINCYPNPQSM-UHFFFAOYSA-N	315.373	3.221	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cn3cc(C)ccc3n2)c1O	846147197	UTNGDGUNWWALTN-CYBMUJFWSA-N	311.385	3.208	10	20	DGCD	
CCc1cccc(CNCC(=O)Nc2c(C)cccc2C)c1O	848899166	DGHZKXLWBBXICD-UHFFFAOYSA-N	312.413	3.300	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCc3nccs3)sc2n1	747006943	OOGVCBXNMCVPRN-UHFFFAOYSA-N	319.411	3.309	10	20	DGCD	
CCOCc1cc(CNCc2cccc(F)n2)ccc1OC	747939285	WKSQRLZRFGWHGZ-UHFFFAOYSA-N	304.365	3.056	10	20	DGCD	
COc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)c(F)c1	844269482	SSPGBEVXENWGBQ-WUXMJOGZSA-N	309.387	3.198	10	20	DGCD	
COc1cccc([C@H](C)NCCOc2ccc(C)cc2)c1O	846135280	CDPDARXCDLYHJU-AWEZNQCLSA-N	301.386	3.439	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@@H]1CC1(C)C	853748357	CIAOPGHUBFPYLB-HNNXBMFYSA-N	303.450	3.249	10	20	DGCD	
COc1cc(CN(C)Cc2ccon2)c(O)c(C(C)(C)C)c1	754742644	VVKVXGXLDXICLG-UHFFFAOYSA-N	304.390	3.318	10	20	DGCD	
CCc1cccc(CC)c1S(=O)(=O)Nc1ccc(O)cc1F	758168474	ADBLECIFGBERDZ-UHFFFAOYSA-N	323.389	3.457	10	20	DGCD	
COC[C@H](C)N[C@H](C)c1cc(Br)cc(Cl)c1O	756343403	YTFOSITWSBKGNJ-JGVFFNPUSA-N	322.630	3.494	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@](C)(C2CC2)C(F)(F)F)c1	933565359	QSCQRIABFJTWOP-AWEZNQCLSA-N	316.323	3.231	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc2ncccc2o1	930205268	IUMHXWVUMLLAEI-UHFFFAOYSA-N	321.380	3.358	10	20	DGCD	
CCCSc1cncc(NCc2cccc(OC)c2O)n1	865501616	CTEPWHUFTADZHK-UHFFFAOYSA-N	305.403	3.305	10	20	DGCD	
FC1(F)CCCN(Cc2ccc(N3CCOCC3)cc2)CC1	862466058	CRIJCZMBIZDQMR-UHFFFAOYSA-N	310.388	3.144	10	20	DGCD	
O=C(CCc1cncc2ccccc12)NCc1ccccc1O	765590063	QPXLMMZZXUGDTI-UHFFFAOYSA-N	306.365	3.189	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCc3c(O)cccc32)c1	862757178	KFFWWSKTOHVUHZ-INIZCTEOSA-N	311.381	3.143	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@H](OCc2ccccn2)C1	877645506	NJTBFSOUCOAMFE-HNNXBMFYSA-N	318.804	3.232	10	20	DGCD	
CCO[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	773610729	FVMAFPHVUHQLIB-RHSMWYFYSA-N	319.449	3.024	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1	876643107	UGSNFGSPXPYOQN-INIZCTEOSA-N	302.462	3.270	10	20	DGCD	
Cc1ccc(CN[C@H](C)C[C@@H](O)c2ccc(F)cc2)c(O)c1	877131357	YKAJIXZEQDZFMH-FZKQIMNGSA-N	303.377	3.442	10	20	DGCD	
C[C@H](NCCn1ccc(C(F)(F)F)n1)c1cc(F)ccc1O	872109241	JKHMPFJDPJYMQR-VIFPVBQESA-N	317.286	3.097	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C(C)C)C2)c1O	778242046	QTGQPXXEOGHXOB-HNNXBMFYSA-N	311.809	3.105	10	20	DGCD	
C[C@@](O)(CNCc1cc(Cl)cc(F)c1O)c1cccs1	776209108	MUEXRBHRVFHABB-CQSZACIVSA-N	315.797	3.244	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCCCSc1nccs1	883012477	HXVDLWMUFVASJB-UHFFFAOYSA-N	316.398	3.399	10	20	DGCD	
Cc1cc(NC(=O)N(C)Cc2ccccc2O)cc2n[nH]cc12	779623516	PDDXAKKBDTZHTR-UHFFFAOYSA-N	310.357	3.241	10	20	DGCD	
C[C@H](C[C@@H](O)c1cccs1)NCc1cc(F)cc(F)c1O	883079618	YMXXLJDSTMAOSX-NOZJJQNGSA-N	313.369	3.334	10	20	DGCD	
CN(C)c1ccc(CNCC[C@@](C)(O)c2ccccc2)cc1F	778215151	RDDNYQIPQRBMQP-LJQANCHMSA-N	316.420	3.279	10	20	DGCD	
COc1cc(O)c(CNC2(c3ccc(F)cc3)CC2)cc1OC	776173973	SGDFKOJVLRRXQR-UHFFFAOYSA-N	317.360	3.327	10	20	DGCD	
C[C@@H](NC(=O)/C=C/c1cccc(O)c1)c1ccc(N(C)C)cc1	781036180	NVKJOHPAVXGLKQ-WEKMIXOTSA-N	310.397	3.349	10	20	DGCD	
CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccc2[nH]ccc2c1	788552041	XEIHVYJNVOHBKQ-DAXSKMNVSA-N	322.368	3.033	10	20	DGCD	
O=C(NCC[C@@H]1CNc2ccccc21)N1Cc2cccc(O)c2C1	892361990	GGSDQIXAJJEIKF-CYBMUJFWSA-N	323.396	3.017	10	20	DGCD	
COC(=O)[C@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)[C@@H]1C	787244145	MNSXTHHSNBPRRV-HIFRSBDPSA-N	319.445	3.382	10	20	DGCD	
O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1O	790874342	COXKDKFASWNREZ-VHSXEESVSA-N	317.307	3.196	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCSCC[C@@H]1C	790375424	NSHAAOHOZMAQKE-AWEZNQCLSA-N	321.490	3.098	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccc2nc(O)oc2c1	796678103	YFOSYUVRGWQTLZ-LBPRGKRZSA-N	311.385	3.450	10	20	DGCD	
C[C@@H](NCc1cnn2ccccc12)c1cc(F)cc(F)c1O	1257442857	BKORBMIMISBTTQ-SNVBAGLBSA-N	303.312	3.169	10	20	DGCD	
COc1ccc(CN[C@@H](C)CCNC(=O)[C@@H](C)C(C)C)cc1C	1484999558	DIYSXDLHYXMHGG-HOTGVXAUSA-N	320.477	3.280	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C(=O)O)c2ccccc2C)c1	1599598816	UOGDYZXQZPFCMF-SJKOYZFVSA-N	315.369	3.186	10	20	DGCD	
CCN1CCCc2cc(CN[C@H]3CC[C@@](C)(C(=O)O)C3)ccc21	1776876149	YAXNCIGLLHPGSP-QFBILLFUSA-N	316.445	3.192	10	20	DGCD	
COc1cc(O)c(CN2CCc3ccccc3CC2)cc1OC	160268229	JDJZNKVFTCLRNX-UHFFFAOYSA-N	313.397	3.010	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1C(C)C	151114789	WDOPFTUDKPAHKX-RBUKOAKNSA-N	319.445	3.204	10	20	DGCD	
C[C@H]1N(Cc2cccc(Br)c2O)CCOC1(C)C	707700045	NPAGOGQKEHSDKM-SNVBAGLBSA-N	314.223	3.154	10	20	DGCD	
C[C@@H](CCNC(=O)OC(C)(C)C)NCc1ccc(N(C)C)cc1	793604336	FUOIECDEDZEGCN-AWEZNQCLSA-N	321.465	3.146	10	20	DGCD	
Cc1cc2ccccc2n1CC(=O)NCc1ccc(N(C)C)cc1	7243798	RQUMDPOMKPVWRY-UHFFFAOYSA-N	321.424	3.332	10	20	DGCD	
C[C@@H]1CCCN1Cc1c(O)ccc(C(=O)c2ccccc2)c1O	173523358	HNEQSEMKHYJQLK-CYBMUJFWSA-N	311.381	3.313	10	20	DGCD	
Oc1cc2c(cc1CNc1cccc(OC(F)F)c1)OCO2	120133216	DNWFUIAMTXQXEM-UHFFFAOYSA-N	309.268	3.334	10	20	DGCD	
Oc1ccccc1CN(CCc1cccnc1)C[C@@H]1CCCO1	172164033	UFCJKIGJVMZHQN-SFHVURJKSA-N	312.413	3.011	10	20	DGCD	
CC[C@@H]1C[C@@H](C(=O)NCc2ccc(N(CC)CC)cc2)CCO1	183211169	PTELHEHZJFVNOO-FUHWJXTLSA-N	318.461	3.354	10	20	DGCD	
O=C(CCc1ccc(O)cc1)NCCCSc1nccs1	183771914	CAJHKXISINMJIM-UHFFFAOYSA-N	322.455	3.080	10	20	DGCD	
COc1ccc(N(C)Cc2nc(C(C)(C)C)no2)c(OC)c1	131616639	CQBMFFGQHLFCGC-UHFFFAOYSA-N	305.378	3.021	10	20	DGCD	
COc1ccc(O)c(CN(C)[C@@H](C)Cc2ccccc2OC)c1	321976075	BWAZOKZXLPZHCO-AWEZNQCLSA-N	315.413	3.472	10	20	DGCD	
CC[C@@H](C)N(CC(=O)O)Cc1cc(Cl)cc(Cl)c1O	86752841	UZCSBXJMVNLLBB-MRVPVSSYSA-N	306.189	3.384	10	20	DGCD	
CCC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C	134364072	RZQUOPDISSNGDP-GOSISDBHSA-N	318.461	3.212	10	20	DGCD	
C[C@H]1C[C@H](C)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1	237544004	WZMCUYNALXMHEC-GJYPPUQNSA-N	302.462	3.438	10	20	DGCD	
CCOc1cccc(CN(C)[C@@H]2CCCc3c2cnn3C)c1O	93863963	YONDUBUVRRJRLI-OAHLLOKOSA-N	315.417	3.034	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccccc2OC(F)(F)F)cc1	238120142	BMSISKBKMYBNBT-UHFFFAOYSA-N	310.275	3.349	10	20	DGCD	
C[C@H]1CCC[C@@](CNCc2ccc3c(c2)CCO3)(N(C)C)C1	237691404	MZGNJJGDOXKLQM-HNAYVOBHSA-N	302.462	3.222	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1	246826496	GIPBPNXWJCMCEB-IMRBUKKESA-N	306.406	3.025	10	20	DGCD	
COc1cc(O)c(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1OC	248416837	JBJFYXSHUBABNA-AEGPPILISA-N	305.418	3.420	10	20	DGCD	
Cc1cccc2oc(CCNCc3ccc4c(c3)CCO4)nc12	271842474	RECIDXQTFOXZFA-UHFFFAOYSA-N	308.381	3.403	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1C	273467227	FAZRCQDNZUEZJI-ARFHVFGLSA-N	318.461	3.307	10	20	DGCD	
CC[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1	271585210	XLBRLIFFENRVPS-ZIAGYGMSSA-N	304.356	3.107	10	20	DGCD	
C[C@@H](NCCN(C)CC(F)(F)F)c1cc(Cl)ccc1O	273568017	KCELRNIEQZKVJA-SECBINFHSA-N	310.747	3.190	10	20	DGCD	
COCCC1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCC1	273557710	HFOLZFONZNXHKB-GFCCVEGCSA-N	308.378	3.158	10	20	DGCD	
CC[C@@H](NCc1ccc(NC(C)=O)nc1)c1ccc(C)cc1O	280258186	XASFRAAAKFZJOR-MRXNPFEDSA-N	313.401	3.295	10	20	DGCD	
Oc1cccc2c1[C@@H](NC1CCN(C3CCCC3)CC1)CC2	297576374	GYGOXMXFGLSOEF-KRWDZBQOSA-N	300.446	3.376	10	20	DGCD	
COc1ccc(CN2CCCc3cc(OC(F)F)ccc32)nn1	801522616	WOOIYSBAXLCYKE-UHFFFAOYSA-N	321.327	3.039	10	20	DGCD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	807839290	KQNQEJLHQSYSIY-HHURGBBESA-N	318.200	3.129	10	20	DGCD	
C[C@@H](CCN(C)C)N[C@@H](C)c1cccc(C(F)(F)F)c1O	815570991	QSBNUAPMOIPHDY-QWRGUYRKSA-N	304.356	3.402	10	20	DGCD	
CCN(CC)C(=O)CCCNCc1ccc2ccccc2c1O	816535637	VJVIUYUAOREPBL-UHFFFAOYSA-N	314.429	3.284	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C	815057647	WHZDQAACGPYWBQ-FUHWJXTLSA-N	303.494	3.366	10	20	DGCD	
Cc1nccnc1CCNCc1cc(-c2ccccc2)ccc1O	815152917	AHBLEIVJCNDGKI-UHFFFAOYSA-N	319.408	3.490	10	20	DGCD	
C/C=C(/CC)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	588566646	AEBWUFJJUCXLTA-CPSFFCFKSA-N	302.418	3.137	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccc(C(=O)O)cc1F	901759993	VJOJYTSBBUFTDH-UHFFFAOYSA-N	316.376	3.188	10	20	DGCD	
O=C(NCCOc1cccc2ccccc12)c1cc(O)cs1	731871087	WEYSHOHEFFFZBV-UHFFFAOYSA-N	313.378	3.416	10	20	DGCD	
CCCCCCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	731864458	VQHPWFUROBQBHG-UHFFFAOYSA-N	319.493	3.223	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@H](c3nccn3C)C2)c1	834910829	FWPZDWZDWSXQTD-VBQJREDUSA-N	315.417	3.005	10	20	DGCD	
Cc1cc(CN2[C@H]3CC[C@H]2COC3)ccc1N1CCCCC1	839191880	QBLPZTQNEQRFQD-ROUUACIJSA-N	300.446	3.349	10	20	DGCD	
CC1(C)C[C@@H](CNCc2cc(Cl)cc(F)c2O)CCO1	835058710	BNQICZFCXFXOFH-JTQLQIEISA-N	301.789	3.480	10	20	DGCD	
CCc1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1	732794906	JIBIWCPSRKZDAK-UHFFFAOYSA-N	322.412	3.310	10	20	DGCD	
CCOC(=O)CC1CCN(Cc2cccc(CC)c2O)CC1	848882274	XSMQGXFMVZWXBR-UHFFFAOYSA-N	305.418	3.120	10	20	DGCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCC[C@H]1C(C)(C)C	841688447	HPDMIKCACOBFDI-VYDXJSESSA-N	319.445	3.465	10	20	DGCD	
Cc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)sn1	749232373	QKCFJYKVWXMWHT-UHFFFAOYSA-N	317.414	3.358	10	20	DGCD	
CCN(CC(=O)N[C@@H](C)c1cccs1)c1ccc(OC)cc1	746109972	YJSSQQJAHRUQAZ-ZDUSSCGKSA-N	318.442	3.460	10	20	DGCD	
Cc1noc(C)c1[C@H](C)Cc1nc(Cc2ccc(N)cc2)no1	843160161	WFENNIZAMNVQOW-SNVBAGLBSA-N	312.373	3.194	10	20	DGCD	
CC[C@H](NCC[C@]1(O)CCCOC1)c1cccc(Cl)c1O	846210742	CWNBCNLBBPQUAF-GOEBONIOSA-N	313.825	3.018	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)c1ccccc1F	840929898	QJGRNIMSOHQVJR-GOSISDBHSA-N	302.393	3.023	10	20	DGCD	
Cc1cc(CCNC(=O)N2CC[C@H]2C)c(C)n1-c1ccccc1	920041524	BSQZFVZOMGNWET-CQSZACIVSA-N	311.429	3.440	10	20	DGCD	
COc1cc(C)sc1C(=O)NCc1cc(Cl)ccc1O	857547882	YMOSUSRVRFNFEI-UHFFFAOYSA-N	311.790	3.354	10	20	DGCD	
CCOc1cccc(CN[C@H]2COc3cc(F)ccc3C2)c1O	850382286	QPNRLZJMWVXMPU-OAHLLOKOSA-N	317.360	3.023	10	20	DGCD	
CC[S@](C)(=O)=NC(=O)c1ccc(-n2c(C)ccc2C)cc1	925860389	YBSPGNUOZQUNAL-NRFANRHFSA-N	304.415	3.352	10	20	DGCD	
CON(C(=O)c1cc(C)n(-c2ccccn2)c1C)C1CCCC1	757639535	WYDPNCREIPZSHO-UHFFFAOYSA-N	313.401	3.435	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1COC(C)(C)O1	851716497	NKWWIZNMCUEQRB-SFHVURJKSA-N	318.461	3.260	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCC(=O)c2cccs2)c1	862761841	ZFOHJMCBPZPTHX-UHFFFAOYSA-N	303.383	3.041	10	20	DGCD	
CCN(CCC1CC1)C(=O)NCCCSc1nccs1	760997219	LINDANRLYSOFMJ-UHFFFAOYSA-N	313.492	3.457	10	20	DGCD	
NC[C@H]1CN(Cc2c(O)cccc2Cl)CC[C@H]1C(F)(F)F	863646291	ISGYFGSFMYOJON-GXSJLCMTSA-N	322.758	3.005	10	20	DGCD	
COc1cc(Cl)cc(CN2Cc3ccc(O)cc3C2)c1O	862450547	WHZBGCCTYPMTCP-UHFFFAOYSA-N	305.761	3.276	10	20	DGCD	
Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1	868515300	KJDOUIJMJATLKF-ZDUSSCGKSA-N	301.390	3.214	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2C[C@](C)(OC)C2(C)C)c1O	761206550	KWCNJZHLKWFZFC-CJNGLKHVSA-N	313.825	3.347	10	20	DGCD	
C[C@@H](NCCC1CC(O)C1)c1ccc(N2CCCCC2)cc1	762649529	NHEGVNNYGGBHGS-MDCZIUGASA-N	302.462	3.489	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)c1ccccc1O	877755783	MSECTWUKOKEUTN-CYBMUJFWSA-N	310.397	3.152	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)N(C)C1CCCCC1	879648778	DGYJYGCCIPXEHB-ZIAGYGMSSA-N	304.434	3.222	10	20	DGCD	
CC(C)CO[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775737716	KCJHWDJFKPMDLO-CYBMUJFWSA-N	301.789	3.432	10	20	DGCD	
Cc1cccc(O)c1CN1CCN(c2ccc(Cl)cn2)CC1	876571198	HOSFSJHGSOUIQL-UHFFFAOYSA-N	317.820	3.071	10	20	DGCD	
CO[C@@H](C)CCC(=O)NCc1ccc(N2CCCCC2)cc1	782608294	NTOUXCTUNXZFFT-HNNXBMFYSA-N	304.434	3.108	10	20	DGCD	
COc1cc(Cl)cc(CNCc2cccc3c2OCC3)c1O	897207249	ZCYJUHNINXIKOX-UHFFFAOYSA-N	319.788	3.279	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@H]([C@@H]2CCCCO2)C1	895280739	ZSWVOFIGTMJENT-LRDDRELGSA-N	311.372	3.452	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@@H](C)C1	780801601	YJJTYXCUCRRIOR-ZBFHGGJFSA-N	303.450	3.473	10	20	DGCD	
COc1ccc2c(c1)CC[C@H](NCc1ccc(N(C)C)cc1)C2	784622543	ATWNIUJDVJKJQU-SFHVURJKSA-N	310.441	3.408	10	20	DGCD	
CN(CCNCc1c(O)ccc(Cl)c1F)Cc1ccccc1	790954067	KBAYAXLKTBAZRB-UHFFFAOYSA-N	322.811	3.406	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(O)ccc1C(F)(F)F	793682043	RIKBRGPSDLZCKA-UHFFFAOYSA-N	311.259	3.047	10	20	DGCD	
CCc1ccnc(CNC(=S)Nc2ccc(C(C)=O)cc2)c1	797793894	YWVRFOKPQCKDPS-UHFFFAOYSA-N	313.426	3.333	10	20	DGCD	
CCc1ccc([C@@H](C)C(=O)NCc2ccc(OC)cc2O)cc1	794373282	IYKRQQHCXZQBNB-CYBMUJFWSA-N	313.397	3.383	10	20	DGCD	
CN(C)C1(CNCc2c(O)ccc(Cl)c2F)CCCC1	790947595	TXEWPQVSZOBIPW-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(O)c1	793058792	MNFKUSGXNPNMQA-VNHYZAJKSA-N	318.417	3.169	10	20	DGCD	
CCOCOc1ccc(CNCc2ccc(OC)cc2O)cc1	793389081	UZIUVNCVFSNHLZ-UHFFFAOYSA-N	317.385	3.063	10	20	DGCD	
Cc1ccc(O)c(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)c1	1319973219	QZTUPCDMJBATMM-SFHVURJKSA-N	324.424	3.095	10	20	DGCD	
COCCOC[C@H](C)NCc1ccc(N2CCC(C)CC2)cc1	1342931461	JZNFFGLJQLITLP-KRWDZBQOSA-N	320.477	3.064	10	20	DGCD	
O=C(O)[C@]12CCC[C@H]1CN(Cc1ccc3ccccc3c1O)C2	1608824555	AQUNUZAHYOLBKR-KXBFYZLASA-N	311.381	3.232	10	20	DGCD	
CC1=CCC[C@H](C)[C@H]1CNC[C@H](N)c1ccc(N(C)C)cc1	1576556144	NZHUESLFRHZUJD-SNRMKQJTSA-N	301.478	3.334	10	20	DGCD	
CC[C@@H](CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C(C)(C)C	1577041431	LPVIEINLBMBYLK-DOTOQJQBSA-N	319.493	3.331	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CC[C@@H](C(=O)O)C2)cc1F	1589728537	CVRBTNNHDLGSGV-KGLIPLIRSA-N	308.397	3.015	10	20	DGCD	
C[C@@H](NCCCSc1nccs1)c1cncc(C(=O)O)c1	1593268921	WYULLLWIMFTEOU-SNVBAGLBSA-N	323.443	3.069	10	20	DGCD	
C[C@H](N[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(C(=O)O)ccc1O	1593218483	GKFHVWOFOPTABV-YLQAJVPDSA-N	311.381	3.372	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CC(=O)O)c2cccc(F)c2)cc1	1777039560	LKGKSPGBXNSKLT-QGZVFWFLSA-N	316.376	3.197	10	20	DGCD	
C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1cccc(F)c1	152518711	HOSZNTFPFASDGK-ZDUSSCGKSA-N	300.377	3.260	10	20	DGCD	
C[C@@]1(NCc2cc(F)ccc2O)CCN(Cc2ccccc2)C1	405951847	GQTLUUYFMZNTCZ-LJQANCHMSA-N	314.404	3.286	10	20	DGCD	
Cc1noc(C)c1CNCc1c(O)cccc1Br	706822213	ZEMQDDYPXULWCW-UHFFFAOYSA-N	311.179	3.049	10	20	DGCD	
CC[C@@H](C)[C@H](CNCc1cc(Cl)cc(OC)c1O)OC	381338138	AXGTXBWHFDFFIO-YGRLFVJLSA-N	301.814	3.205	10	20	DGCD	
CCC(CC)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	62574845	KGBIWEZRDJEWML-AWEZNQCLSA-N	304.434	3.074	10	20	DGCD	
CN(Cc1ccc(Br)cn1)Cc1ccccc1O	171960910	YQRCNFSSLVFVIZ-UHFFFAOYSA-N	307.191	3.182	10	20	DGCD	
CC(C)C[C@H](CO)N[C@@H](C)c1ccc(Br)cc1O	185114341	WRIHNFFBDLEBPR-CMPLNLGQSA-N	316.239	3.212	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCC(F)(F)F)cc1	79629360	GZMZTRFLQWIJGF-UHFFFAOYSA-N	302.340	3.492	10	20	DGCD	
C[C@H](NCCCO[C@H]1CCOC1)c1ccc2ccccc2c1O	185703122	MJHFCGORYGVFIK-HOCLYGCPSA-N	315.413	3.392	10	20	DGCD	
Cc1csc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n1	133907297	WAKPRNADOKJPTL-UHFFFAOYSA-N	314.414	3.149	10	20	DGCD	
CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc(O)c1O	185712929	VWJHVXLBIRIOMM-AWEZNQCLSA-N	300.358	3.106	10	20	DGCD	
CNC(=O)c1ccc(CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)cc1	323932274	ZSJCPTUNCLSOAQ-CJNGLKHVSA-N	324.424	3.398	10	20	DGCD	
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cccc(O)c1O	193102431	STXDTHJHDRYQNV-HNNXBMFYSA-N	313.397	3.500	10	20	DGCD	
CCc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc(N)cc2)s1	237030936	YVGZGMFHMYVWGX-GFCCVEGCSA-N	317.458	3.358	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@H](c2ncc[nH]2)C1	365260152	SNJAXTBBISBYLG-JTQLQIEISA-N	309.772	3.287	10	20	DGCD	
Cc1nc2sccn2c1CN(C)Cc1cc(F)ccc1O	272327218	VNRDSYVVIUNJGR-UHFFFAOYSA-N	305.378	3.181	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H](F)CC1CCCCC1	279848509	JXGKSWADLMISBN-CQSZACIVSA-N	309.381	3.065	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C1CCN(C2CC2)CC1	279650772	BKFMKCLYJXPSIE-UHFFFAOYSA-N	316.445	3.005	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ccccc2Cn2cncn2)c1	273303160	CDEVBTOEYPWJOP-HNNXBMFYSA-N	322.412	3.191	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2ncnn2C(C)(C)C)cc1	281939557	BKCLCAXVHYKHDA-CQSZACIVSA-N	315.465	3.340	10	20	DGCD	
CC[C@H](NCCOc1ncccc1F)c1ccc(F)cc1O	286191211	QUXUPKSLGUQQEO-AWEZNQCLSA-N	308.328	3.185	10	20	DGCD	
CN(CCCCc1ccccc1)C(=O)c1c(F)ccc(O)c1O	294991747	ZARDMXCQDDNNHL-UHFFFAOYSA-N	317.360	3.332	10	20	DGCD	
Oc1ccccc1CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	809703749	PHIZOVJNBBVAOF-OAQYLSRUSA-N	322.452	3.490	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1C	294825358	PKHURNZWLXVNJB-HNNXBMFYSA-N	318.461	3.123	10	20	DGCD	
Cn1ncc2ccc(CNCc3cc(Cl)c(F)cc3O)cc21	816616044	MZAGGVDFJJYFDW-UHFFFAOYSA-N	319.767	3.361	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC3CCC(OC)CC3)C2)cc1	818341637	CJJPGXBWBUIMGM-HJOIGYKYSA-N	318.461	3.069	10	20	DGCD	
Oc1c(CNC[C@H](O)COc2ccccc2)ccc2ccccc12	816532906	AMIYQWVABZVQGB-KRWDZBQOSA-N	323.392	3.075	10	20	DGCD	
CCN(CCSC)C(=O)NCc1ccc(N2CCCC2)cc1	825721557	PLCWUYKBELQTDF-UHFFFAOYSA-N	321.490	3.181	10	20	DGCD	
CSCCNC(=O)N(Cc1ccco1)Cc1ccccc1O	726278458	HWMGKCLXQDQJEA-UHFFFAOYSA-N	320.414	3.060	10	20	DGCD	
O=C1CC[C@@H](CN2CCCc3cc(OC(F)(F)F)ccc32)O1	821391364	JUSOAEJUZCDNEL-LBPRGKRZSA-N	315.291	3.043	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCOC3(CCC3)C2)c1	824751454	XJJXLWXLPCDEOP-UONOGXRCSA-N	305.418	3.401	10	20	DGCD	
CC(C)[C@H](N[C@@H](C)c1ccc(Cl)cc1O)c1nncn1C	903064507	MZOLXSZXTZRGEO-HZMBPMFUSA-N	308.813	3.222	10	20	DGCD	
CCOCc1cc(CNCC[C@@H]2C[C@H]3CC[C@H]2O3)ccc1OC	839164416	RZHUXEJYYWDIGB-SZVBFZGTSA-N	319.445	3.279	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCN(C(C)C)C2)c1O	832779519	ZNGOPAAESZRYKD-OAHLLOKOSA-N	324.852	3.163	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@@H]2CCc3cccc(O)c32)cc1C	834910141	FRFVTJLHHOOLIW-ZWKOTPCHSA-N	311.425	3.190	10	20	DGCD	
C[C@H](CCCO)CN[C@H](C)c1cccc(C(F)(F)F)c1O	834870806	KNWHJIDBWLSEEQ-GHMZBOCLSA-N	305.340	3.470	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cc(C(=O)O)sc2C)c1	833733995	YIUROMPXIHWOOS-SECBINFHSA-N	321.398	3.320	10	20	DGCD	
COc1ccc(N(C)CC(=O)NCCC2=CCCCC2)cc1	844352924	DFZQOALQHLPIQJ-UHFFFAOYSA-N	302.418	3.138	10	20	DGCD	
C[C@H](NCCCSc1nccs1)c1cc2n(n1)CCC2	840722719	KHQOQGAHSIGKGP-NSHDSACASA-N	308.476	3.119	10	20	DGCD	
Cc1n[nH]c(C)c1/C=C1/SC(=S)N(c2ccccc2)C1=O	915983460	GAQDRWXFWNHKEZ-MDWZMJQESA-N	315.423	3.432	10	20	DGCD	
Nc1ccc(NC(=O)N2CC[C@H](COc3ccccc3)C2)cc1	841295949	KMOMQMDSBWXOAT-AWEZNQCLSA-N	311.385	3.202	10	20	DGCD	
COc1ccc(CNC2(CO)C3CC4CC(C3)CC2C4)cc1C	840963552	PHIBZXMNCJVHBU-UHFFFAOYSA-N	315.457	3.280	10	20	DGCD	
CC[C@@H](C)C[C@H](CO)NCc1cccc(Br)c1O	842755369	XYCGRGUXAPGZRF-ZYHUDNBSSA-N	316.239	3.041	10	20	DGCD	
CC(C)[C@@H](N)CCN(C)Cc1ccc(N2CCCCC2)cc1	843056453	KKWZEALIKIJVSM-IBGZPJMESA-N	303.494	3.482	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](N2CCCC2)C[C@H]1C	840948684	XWFMUCCXFUUPIK-VQIMIIECSA-N	301.478	3.120	10	20	DGCD	
CCN(CC)c1ccc(CNCCCn2ccnc2C)cc1F	740004224	KFDVRDOWOGBCQA-UHFFFAOYSA-N	318.440	3.357	10	20	DGCD	
C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)[C@H]1CCN	844902103	NKKKRONGSYQLHW-YGRLFVJLSA-N	300.805	3.134	10	20	DGCD	
c1cc2c(cc1CNCc1ccc3c(c1)OCCO3)CCCO2	921483928	ZPIFCUVBSOGISC-UHFFFAOYSA-N	311.381	3.073	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1O	756514034	CXPNFRYVORKIHS-SNVBAGLBSA-N	305.324	3.456	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](CO)[C@H](C)c2ccccc2)c1	756711476	LCWXJEPPUDWCLD-QWQRMKEZSA-N	315.413	3.216	10	20	DGCD	
C[C@H](CCCCC(=O)O)NCc1c(O)ccc(Cl)c1F	756306131	HUDGIPPPPUQOIO-SECBINFHSA-N	303.761	3.308	10	20	DGCD	
C[C@@H](NC[C@@H]1COc2ccccc2C1)c1cc(F)ccc1O	756457844	RRSMEYXDMPCEFP-CHWSQXEVSA-N	301.361	3.433	10	20	DGCD	
C[C@@H]1CSCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	753203861	KWRSAGBFDZHDQS-KBPBESRZSA-N	321.490	3.208	10	20	DGCD	
CC1CCN([C@H](C)CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756504691	PWANDDHGOPHPRT-ZIAGYGMSSA-N	321.421	3.071	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccnc2C2CC2)c1	752595980	KAQDFWOPEBATIZ-NSHDSACASA-N	312.369	3.164	10	20	DGCD	
Cc1cc(Nc2nc(-c3ccc(O)c(O)c3)cs2)n(C)n1	932728766	QEKFBCSUHBWVBK-UHFFFAOYSA-N	302.359	3.007	10	20	DGCD	
C[C@@H]1CCc2ccccc2N1Cc1cc2c(cc1O)OC[C@H]2O	768462121	JPPFFUAGPOINJF-KZULUSFZSA-N	311.381	3.159	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cocc1C	862003113	YTQBRDNQCGZJBY-AWEZNQCLSA-N	300.402	3.323	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@@H](C)N2CCc3ccccc32)c1	862754181	TXUZFIQDZRPOGZ-OAHLLOKOSA-N	324.424	3.158	10	20	DGCD	
CC(C)(C)Oc1cccc(COC(=O)c2cc(O)cs2)n1	768568066	VNWQUTUCNVZLAV-UHFFFAOYSA-N	307.371	3.383	10	20	DGCD	
CCOc1ccc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1	766090538	VIMNBYAPDZRDIG-IRXDYDNUSA-N	307.434	3.473	10	20	DGCD	
CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(N3CCCC3)cc2)C1(C)C	776155170	ZUGOQVRPWGAAAJ-ZTFGCOKTSA-N	302.462	3.436	10	20	DGCD	
CCC[C@]1(C(=O)OCC)CCCN1Cc1cc(F)ccc1O	775185798	WKJURRGHRZSJGB-QGZVFWFLSA-N	309.381	3.229	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCO[C@@H](Cc3ccccc3)C2)c1	776294752	VHAZSSFJBGOICP-IBGZPJMESA-N	311.425	3.453	10	20	DGCD	
CCN(C)c1ccc(CN(C)Cc2ncc(Cl)n2C)cc1	773831174	HWXFGBHFVSEWGC-UHFFFAOYSA-N	306.841	3.162	10	20	DGCD	
CCCN(Cc1ccc2c(c1)ncn2C)c1ccc(CN)cc1	775139576	CZALMDXHXJUOAU-UHFFFAOYSA-N	308.429	3.449	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnc2c(c1)CCCC2	782839306	KEQYVNNSWRPUNN-SOFGYWHQSA-N	310.353	3.024	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCCC(C)(C)C2)c1	785873627	UYFYBDDIOYSQLA-ZDUSSCGKSA-N	306.406	3.169	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@@H](C)NC(=O)C(C)(C)F)cc1C	1133477757	RHJGTOBPXINYIE-ZIAGYGMSSA-N	324.440	3.125	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(OCC(F)F)cc2)c(O)c1O	780957994	CCQHRFVUPSXHCI-UHFFFAOYSA-N	323.295	3.302	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1O	894359496	QGULUTZZVLXAKY-OLMNPRSZSA-N	317.429	3.147	10	20	DGCD	
COC[C@@H](C)CNCc1ccc(N(C)C)cc1C(F)(F)F	792942702	MJNCKPNRIYFMAI-NSHDSACASA-N	304.356	3.144	10	20	DGCD	
C=Cc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1	794385352	POYDBMTZLMIINB-CSKARUKUSA-N	309.365	3.113	10	20	DGCD	
C[C@H]1COCC[C@H]1CNCc1ccc(N2CCCCC2)cc1	796498811	YDGGZXFYOMRKQJ-WMZOPIPTSA-N	302.462	3.439	10	20	DGCD	
Cc1cc(O)ccc1CC(=O)NCc1ccc(N2CCCC2)cc1	1350891651	AIYJWRGYGSFRMR-UHFFFAOYSA-N	324.424	3.160	10	20	DGCD	
Cc1cc(O)c(CN[C@@](C)(C(=O)O)c2ccc(F)cc2)cc1C	1600286872	YLRWKMYTTWFGAG-GOSISDBHSA-N	317.360	3.238	10	20	DGCD	
Nc1ccc(CN(CCC(=O)O)Cc2ccc(F)c(F)c2)cc1	1601215673	FSLCUYZNQUDSEH-UHFFFAOYSA-N	320.339	3.024	10	20	DGCD	
O=C(O)c1cc(NCc2cc(F)ccc2O)c2ncccc2c1	1602287320	TWBAWSAZAOXWGW-UHFFFAOYSA-N	312.300	3.390	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)c1ccc(C)o1	1610249625	RJVCKQFVZWPTCT-FZMZJTMJSA-N	319.357	3.030	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)c2C)c1	155324997	PKCGMKJOWLEWFQ-QRQLOZEOSA-N	324.424	3.452	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1	155793930	XPQMQYKLGOIPIV-YESZJQIVSA-N	312.457	3.466	10	20	DGCD	
CS[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1	172402333	QZPXXQYBZZCTRD-INIZCTEOSA-N	301.411	3.455	10	20	DGCD	
COc1ccc(O)c(CNCc2ccc3c(c2)CC(C)(C)O3)c1	114505717	KWXBCMLIJBJXIO-UHFFFAOYSA-N	313.397	3.404	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCc3ccccc3C2)cc1	31726376	AUYSJQUVTDXSKQ-UHFFFAOYSA-N	309.413	3.021	10	20	DGCD	
CCc1ccc(C(C)(C)C(=O)NCc2ccc(O)c(O)c2)cc1	182543749	BNJWOVPHPDGOBG-UHFFFAOYSA-N	313.397	3.254	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N(C)c1ccccc1N(C)C	186871951	OMTALAZMCIHQRE-MDZDMXLPSA-N	301.415	3.194	10	20	DGCD	
C[C@H](NCCN1CCc2ccccc2C1)c1ccc(F)cc1O	184923687	OEWNYHABWHDXMT-AWEZNQCLSA-N	314.404	3.240	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1O	186190310	WNSXCOUTFNGOIM-DIFFPNOSSA-N	307.340	3.229	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(F)c1F	75159521	MXDNGFWPDLYVHZ-UHFFFAOYSA-N	317.335	3.479	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cnc(C)s2)cc1	195250448	SPYXLQGIKGLIFC-UHFFFAOYSA-N	303.431	3.228	10	20	DGCD	
O=C1[C@@H](Sc2nccs2)CCN1c1c(F)cccc1F	88499742	MMHNIATZJQCITQ-JTQLQIEISA-N	312.366	3.319	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2SCCc3sccc32)cc1	237947417	GTNWMODJFLNSSC-HNNXBMFYSA-N	318.467	3.020	10	20	DGCD	
CCCN(CCC)CCCC(=O)N(C)Cc1ccccc1O	264456265	QMXLSDYXYHGMDJ-UHFFFAOYSA-N	306.450	3.253	10	20	DGCD	
C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1O	273391145	KSHUKPZTAWYEMM-GFCCVEGCSA-N	316.376	3.084	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(Cl)c(Cl)cc1O)c1nncn1C	278664984	IXRGPURGAWVBAL-SFYZADRCSA-N	315.204	3.239	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCC(=O)N(C)C2CCCCC2)c1	273560540	IBRGKFVXBNLOBX-CQSZACIVSA-N	304.434	3.142	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1ccon1	271412741	MAAQKDUHYYVFIX-UHFFFAOYSA-N	315.398	3.116	10	20	DGCD	
CN(C)c1ccc(CN2CCC3(CCOCC3)CC2)cc1F	285207448	RDLWFPHTKRKOIZ-UHFFFAOYSA-N	306.425	3.284	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1cnnn1-c1ccccc1	808731964	DWFTXSDRAPEKSG-UHFFFAOYSA-N	322.412	3.385	10	20	DGCD	
C[C@]12CCN(C(=O)c3cc(O)cs3)C[C@@H]1C2(Cl)Cl	807524414	TWJSBOUYGUHCHF-ONGXEEELSA-N	306.214	3.110	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)OC2CCOCC2)cc1	810038710	YNWABDPHPQOTRX-UHFFFAOYSA-N	320.433	3.280	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2c[nH]nc2C(C)(C)C)c1	813330716	FAPLIPBXFCTKAG-LLVKDONJSA-N	303.406	3.272	10	20	DGCD	
C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2ccccc2O)C1	817415176	TZLHNAHMRMEBQV-DZGCQCFKSA-N	305.418	3.192	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCN1Cc2ccccc2C1	816533468	XNVRAVZXSPNSQN-UHFFFAOYSA-N	320.795	3.290	10	20	DGCD	
CN1CC[C@@H](N[C@H](CCc2ccccc2)c2ccccc2O)C1	815576535	SHYCMXCRKFBHHF-IEBWSBKVSA-N	310.441	3.360	10	20	DGCD	
COc1ccc([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)cc1	817938361	JKJVGUQYRRGWMK-KUHUBIRLSA-N	313.445	3.112	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CNCC[C@@H]3C)cc2)CC1	817902782	YEEROIXBQJRKQY-QFBILLFUSA-N	301.478	3.011	10	20	DGCD	
Cc1noc([C@H](C)NCc2ccc(N3CCCCC3)cc2)n1	729683969	IEGWGPPVHSRKTB-ZDUSSCGKSA-N	300.406	3.219	10	20	DGCD	
Cc1ccc(NC(=O)c2cc(O)cs2)cc1C(=O)NC(C)C	826921637	RTRKBGMIEXYKNK-UHFFFAOYSA-N	318.398	3.153	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cnc(C)n2C)cc1	824541558	CVHYZILYXYTITH-UHFFFAOYSA-N	300.450	3.207	10	20	DGCD	
COc1cc(N2C[C@H]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC	828948184	YFIQAYVLDZRAEF-TXEJJXNPSA-N	306.362	3.238	10	20	DGCD	
CC[C@@H]1C[C@@H](NCc2ccc(N3CCSCC3)cc2)CCO1	823666799	SALOMTXOHXRAEF-FUHWJXTLSA-N	320.502	3.287	10	20	DGCD	
CCNC(=S)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	728791311	CDMXCXMFLUSRGY-UHFFFAOYSA-N	319.396	3.011	10	20	DGCD	
CCOCc1cccc(NC(=O)NCc2ccccc2O)c1	726697058	BCMORJGBXSPVQP-UHFFFAOYSA-N	300.358	3.250	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)CCOC)cc1	725868791	YWKDSOKUSAOIEQ-HNNXBMFYSA-N	321.465	3.099	10	20	DGCD	
CN(Cc1ccccc1O)C(=S)Nc1ccc(Cl)nc1	727078210	PMHYBQQVIIAODU-UHFFFAOYSA-N	307.806	3.269	10	20	DGCD	
CC[C@H](NC[C@@H]1CCN1C)c1ccc(C(F)(F)F)cc1O	903317395	KFYCSRYBNRXHRZ-AAEUAGOBSA-N	302.340	3.156	10	20	DGCD	
CC[C@H](NC[C@@H](CO)c1ccc(OC)cc1)c1ccccc1O	839184896	MGXAUILXSDWXTB-YJBOKZPZSA-N	315.413	3.218	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@H](C(=O)O)c2ccccc2)c1	833662969	PGPABXUATVHFAZ-KRWDZBQOSA-N	315.369	3.049	10	20	DGCD	
CC[C@H](C)[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OC	836407465	ZXMRPXJRTDCKKJ-ZQIUZPCESA-N	321.465	3.174	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCSC12CCCCC2	848051627	SPLPWEPMZUEKQM-FNORWQNLSA-N	319.426	3.347	10	20	DGCD	
Cc1occc1CNCc1ccc(N2CCSCC2)cc1	840879679	GDKOICSHDXDAKJ-UHFFFAOYSA-N	302.443	3.431	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1	841301773	YMOHDFFYVMIJBQ-OKILXGFUSA-N	318.465	3.147	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1cccnc1C1CC1	846474624	XJKKXVRQSNTPLP-UHFFFAOYSA-N	302.761	3.248	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H]2[C@@H](C1)C2(F)F	846601984	QYXQEQMXDYWTLZ-VXGBXAGGSA-N	322.380	3.493	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cccc(Cl)n1	743718854	MGMSMGCMBPRPHD-UHFFFAOYSA-N	316.788	3.249	10	20	DGCD	
COCCN(CCc1cccs1)c1ccc(OC)c(OC)c1	746475501	VFMROFZKSDEYKH-UHFFFAOYSA-N	321.442	3.461	10	20	DGCD	
CSc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	843581270	QVRMEFIXBJZJQP-LBPRGKRZSA-N	315.442	3.361	10	20	DGCD	
Cc1cc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)on1	914907841	WRONYZFIIGACMS-UHFFFAOYSA-N	311.341	3.143	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](C)[C@@H]1C	842177515	IBDBTHBVSZMQMX-UPJWGTAASA-N	307.413	3.078	10	20	DGCD	
CCC(CC)[C@H](CN[C@@H](C)c1cccc(OC)c1O)N(C)C	846139076	POMRTQWLKCAROH-BBRMVZONSA-N	308.466	3.418	10	20	DGCD	
COc1ccc(N(C)Cc2csc(C(=O)O)c2)cc1OC	846242935	WYIJTCGHJPAJNA-UHFFFAOYSA-N	307.371	3.100	10	20	DGCD	
Nc1ccc(CCNC(=O)CCCc2ccc(F)cc2)cc1	848393901	COAXBTPLRKEQOA-UHFFFAOYSA-N	300.377	3.090	10	20	DGCD	
C[C@@H](CCc1ccccc1[N+](=O)[O-])NCCc1ccc(N)cc1	841033772	ATIOJBRYJDIEBT-AWEZNQCLSA-N	313.401	3.330	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]2[C@H]2CCCOC2)c(O)c1	843417080	OWYDAMCQMQWXSM-RDJZCZTQSA-N	305.418	3.182	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](C)CN2CCC(C)CC2)c1	850387570	UWAXPZYUMAMNAI-HNNXBMFYSA-N	306.450	3.001	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(Cl)ccc1O	850502941	TVPLUIFYQZEBLE-IUNRRVLSSA-N	315.866	3.386	10	20	DGCD	
CCC[C@H](CCO)N[C@H](C)c1cc(Br)ccc1O	866414655	JINAAGQFLUMLME-ZYHUDNBSSA-N	316.239	3.356	10	20	DGCD	
CCO[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)C(C)C	760474260	MCEWODKPRDGTBO-SFHVURJKSA-N	318.461	3.136	10	20	DGCD	
COc1ccc2c(c1)[C@H](C(=O)NCc1cc(C)ccc1O)CC2	862757569	YUOFVYUJMVCRLQ-MRXNPFEDSA-N	311.381	3.055	10	20	DGCD	
Cc1ccc(C(=O)NCCC2CC(OC(C)(C)C)C2)c(O)c1O	762402290	YYEDCCPNYBMCOV-UHFFFAOYSA-N	321.417	3.120	10	20	DGCD	
COc1ccc(CCNCc2c(C)cccc2O)c(OC)c1	876988476	HQKBZYWIEMCEPF-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1c[nH]cc1C1CC1	878218874	BHGWMPKMAYGYDF-UHFFFAOYSA-N	309.413	3.422	10	20	DGCD	
CCn1nc(C)c(NC(=O)N[C@H](C)c2ccccc2O)c1C	879090594	CWJNYJCXPIPFPZ-SNVBAGLBSA-N	302.378	3.108	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H]2CCc3c(Cl)cccc32)c(O)c1O	770487996	ZHXZEKSUOGLUGL-CQSZACIVSA-N	317.772	3.477	10	20	DGCD	
CCn1ncnc1CNCCc1cc(C)n(-c2ccccc2)c1C	876903646	NZTOFPRCYWSZBZ-UHFFFAOYSA-N	323.444	3.038	10	20	DGCD	
Cc1ccnc(-c2n[nH]c([C@H](C)NCc3ccc(C)cc3O)n2)c1	877482614	KJAVBGOMDVFEOI-ZDUSSCGKSA-N	323.400	3.040	10	20	DGCD	
Cc1ccc(CCNCc2ccc(N3CCC(O)CC3)cc2)cc1	877035369	GDOXLWBMUPLSCN-UHFFFAOYSA-N	324.468	3.288	10	20	DGCD	
CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccc(N)cc2)n1	1120263952	XQSQZUMGEMQBNA-ZDUSSCGKSA-N	318.421	3.017	10	20	DGCD	
COc1cc(C)cc(CNC(C)(C)c2ccc(C)nc2)c1O	894464951	WPIOEIIGJRMVLE-UHFFFAOYSA-N	300.402	3.438	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)NCc1cc(C)cc(OC)c1O	894874892	YPRJGNZVDQOGEB-LBPRGKRZSA-N	321.339	3.156	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)[C@H](O)c2ccc(F)cc2)c1O	894259859	ZNQZEEIJLZWSDR-SJCJKPOMSA-N	319.376	3.060	10	20	DGCD	
O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(O)c1O	783852941	YGELKWWMBRQPME-LSDHHAIUSA-N	311.381	3.239	10	20	DGCD	
COc1c(N[C@H](C)c2ccccc2O)cc(Cl)cc1C(N)=O	793577775	WCOLNCXHLMLJRP-SECBINFHSA-N	320.776	3.326	10	20	DGCD	
COC(C)(C)c1noc(-c2cc(C)n(-c3ccccn3)c2C)n1	1252754742	LEARVUGFVQLRPA-UHFFFAOYSA-N	312.373	3.421	10	20	DGCD	
OC[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1	1347781126	BIIQBLGJGHSOCL-LJQANCHMSA-N	314.404	3.249	10	20	DGCD	
O=C(O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cc(F)ccc1O	1610801845	VTDXMZJCTFDLQQ-HOTGVXAUSA-N	315.344	3.322	10	20	DGCD	
C[C@@H](NCc1cc(F)cnc1Cl)c1cc(C(=O)O)ccc1O	1593291607	AGDUJDXGRWEQQO-MRVPVSSYSA-N	324.739	3.129	10	20	DGCD	
CCC[C@](C)(NCc1cc(OC)cc(C(C)(C)C)c1O)C(=O)O	1595559237	FXCNSOHBLFAXPO-SFHVURJKSA-N	323.433	3.431	10	20	DGCD	
CCCSC[C@H](NCc1ccc(N(C)CC)cc1C)C(=O)O	1776826327	WHQKVAVUVLYKRA-INIZCTEOSA-N	324.490	3.137	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1	162861102	HVINVHLMRQQWPS-KURFVTIASA-N	322.518	3.483	10	20	DGCD	
CN(Cc1ccccc1)C(=O)NCCCSc1nccs1	154572293	FYQVYHNSRSGBEN-UHFFFAOYSA-N	321.471	3.467	10	20	DGCD	
Cc1cc(C(=O)OC[C@@H]2CC[C@@H](C)O2)c(C)n1-c1ccccn1	159273319	KEKJNWBKQXLMDO-HIFRSBDPSA-N	314.385	3.213	10	20	DGCD	
CC[C@H](N[C@H]1CO[C@H](C)C1)c1cc(Br)ccc1O	401993778	MTYFVTCZOFDIDC-XWIASGKRSA-N	314.223	3.373	10	20	DGCD	
CCOC[C@H](NCc1ccc(Br)cc1O)C(C)C	691488747	NXPZLYXPODPDHY-ZDUSSCGKSA-N	316.239	3.305	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C[C@@H]2CCOC2)C2CC2)c1O	177027897	JUKULKNPNJHZST-LBPRGKRZSA-N	323.820	3.249	10	20	DGCD	
C[C@H]1[C@H](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C	178617720	ZCKRFEJRJRWPCF-KGLIPLIRSA-N	301.434	3.009	10	20	DGCD	
CC(C)CN(C(=O)NCCCSc1nccs1)C1CC1	177852423	OMRKCIVKIDUNOJ-UHFFFAOYSA-N	313.492	3.455	10	20	DGCD	
CCC[C@H](O)CN[C@@H](CC)c1cc(Br)ccc1O	119239701	YVZMIYVSGYAZCR-AAEUAGOBSA-N	316.239	3.356	10	20	DGCD	
Cc1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1[N+](=O)[O-]	301310360	ZJENADAXWIAZQD-UHFFFAOYSA-N	300.362	3.001	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	63693842	KMJMCVFYOUSPAJ-AWEZNQCLSA-N	318.486	3.292	10	20	DGCD	
CCOc1ccc(C#N)cc1NCc1cc([N+](=O)[O-])ccc1O	181416413	UBTCHLWVMDGHSI-UHFFFAOYSA-N	313.313	3.183	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](C)c2cccc(F)c2F)c(O)c1O	182965367	WXMXEBJOKBMKAP-VIFPVBQESA-N	307.296	3.175	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1O	186189705	WWABCROATLMCJR-DIFFPNOSSA-N	307.340	3.229	10	20	DGCD	
COc1ccc(O)c(CN[C@H]2CCOc3c(F)cccc32)c1	89726533	FKLNZBCSFJTDGT-HNNXBMFYSA-N	303.333	3.153	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)c2cc(F)ccc2OC)c1	237205573	UWSQJDHTXDUDBQ-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2cn[nH]c12	248130696	QFHBKNLETRVURH-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
Cc1ccc([C@@H](C)NCCN(C)CC(F)(F)F)c(O)c1C	273610841	VTIJERXHOZLFRR-GFCCVEGCSA-N	304.356	3.154	10	20	DGCD	
CCCn1c(C)nnc1CN1CCCCc2cc(OC)ccc21	270857658	JHOJAZWEVYECQN-UHFFFAOYSA-N	314.433	3.348	10	20	DGCD	
C[C@H](C(=O)O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1	277111759	AMEQYAAGHVEIRD-SCLBCKFNSA-N	311.381	3.173	10	20	DGCD	
CCCCN(Cc1cccc(C(N)=O)c1)Cc1ccccc1O	282412906	ITIIQXQNPNGEBO-UHFFFAOYSA-N	312.413	3.293	10	20	DGCD	
COc1cccc(CN2CCC(C)=C(Br)C2)c1O	281087661	JVYBRDFFTRGJSA-UHFFFAOYSA-N	312.207	3.275	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@@H](CC)c1ccc(F)cc1O	293678562	KDNMVFHGVVAMKB-DOMZBBRYSA-N	310.413	3.124	10	20	DGCD	
Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c(O)c1O	293921875	NECSTDHILGOTOR-INIZCTEOSA-N	312.369	3.025	10	20	DGCD	
C[C@H](Nc1nnc(-c2ccon2)s1)c1ccc(N(C)C)cc1	804621813	HPRZPEFUKOCLEF-JTQLQIEISA-N	315.402	3.432	10	20	DGCD	
CCNC(=O)C1(CN[C@H](C)c2cc(Cl)cc(C)c2O)CCC1	808715993	HENAVWCIJOKNKN-GFCCVEGCSA-N	324.852	3.311	10	20	DGCD	
Cc1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)c(O)c1O	803674916	FBLSCJGZWIPIBS-UHFFFAOYSA-N	317.307	3.211	10	20	DGCD	
C[C@H](N[C@@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1O	815594763	XMWNUPAIEKBQCQ-ZANVPECISA-N	303.324	3.223	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNCC2(CO)CC2)cc1	823966296	JLJPKERPILNBBJ-UHFFFAOYSA-N	316.470	3.247	10	20	DGCD	
C[C@H](O)C1(NCc2ccc3c(c2)CCN3Cc2ccccc2)CC1	827585581	MCZGPTGJGRWFHV-INIZCTEOSA-N	322.452	3.252	10	20	DGCD	
Oc1cc2c(cc1CNC[C@@H]1CSc3ccccc31)OCO2	824483562	QJASYMCYQMYYDH-GFCCVEGCSA-N	315.394	3.100	10	20	DGCD	
COCc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1	728983723	CZBYEGUMTGHFMS-LBPRGKRZSA-N	315.369	3.038	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCc1ccoc1	822261575	BWQVFFHDRXTBPB-UHFFFAOYSA-N	302.374	3.150	10	20	DGCD	
COc1ccc(O)c(CNC(=S)Nc2ccccc2F)c1	733906751	QNHGGWCUZVOLCY-UHFFFAOYSA-N	306.362	3.027	10	20	DGCD	
C[C@@H](NCC[C@H](O)C1CC1)c1ccc(N2CCCCC2)cc1	903406450	VOIOXWSWBVGNGK-BEFAXECRSA-N	302.462	3.489	10	20	DGCD	
Cc1ccc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)c(O)c1O	838219144	VFZPRSSFXKLUKM-GFCCVEGCSA-N	317.360	3.249	10	20	DGCD	
CCNC(=O)C(C)(C)NCc1cc(-c2ccccc2)ccc1O	835075759	AAXCJWVEBJLYPZ-UHFFFAOYSA-N	312.413	3.064	10	20	DGCD	
CC1(C)C[C@H](CNCc2cc(Cl)c(F)cc2O)CCO1	835060594	RVWXCURQYCGVFO-SNVBAGLBSA-N	301.789	3.480	10	20	DGCD	
CC[C@@H](C)[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	839146450	HUBIMZNLJNBLSW-OLZOCXBDSA-N	312.404	3.326	10	20	DGCD	
Cc1nc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(C)o1	839921835	NNHYKCVUWLANAD-GFCCVEGCSA-N	315.417	3.027	10	20	DGCD	
Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)ccc1N	830597600	PTGFPDXDRXDUBV-UHFFFAOYSA-N	310.397	3.092	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cc1	846932761	TWBRRIMOWLPDPJ-SFHVURJKSA-N	312.461	3.112	10	20	DGCD	
C[C@@H](NC(=O)c1ccnc(NC2CCC2)c1)c1ccccc1O	913763854	TUYXKJWGNDYYEL-GFCCVEGCSA-N	311.385	3.243	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c1O	846141986	PRDQTVPKRMWUEC-LBPRGKRZSA-N	318.392	3.457	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)[C@@H]1C	841889349	BZEUDNMZZFGTIV-RBSFLKMASA-N	306.425	3.139	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1F	746798334	UPIVLLTZBCETNS-QEJZJMRPSA-N	304.409	3.334	10	20	DGCD	
COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)cc1	841301561	UNWRYRUZZHWJOY-CQSZACIVSA-N	311.385	3.299	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCC[C@H]1F	840438797	FOPMWYQPQWHSIE-HZPDHXFCSA-N	307.413	3.175	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1F	858146356	VODFWDHHOFEWMN-VUCTXSBTSA-N	324.415	3.324	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC3([C@H](C)O)CC3)c2C)c1	856130612	GOWGTKDISMMLSM-HNNXBMFYSA-N	312.413	3.046	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)NOCC(F)F)c2C)cc1	759337844	LYSGNKQEJUEMPP-UHFFFAOYSA-N	324.327	3.029	10	20	DGCD	
CNC(=O)CC1(CNCc2ccc(OC)c(C)c2)CCCCC1	850399533	MHYUSXJEEAKFSB-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
C[C@@H](NCCC(C)(C)N)c1cc(Br)c(F)cc1O	925738273	PSFAWKYVZGQQLW-MRVPVSSYSA-N	319.218	3.072	10	20	DGCD	
COCC[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccco1	858157364	FGASIMJHARXTAF-HNNXBMFYSA-N	324.371	3.491	10	20	DGCD	
CC(C)[C@H]1CCCN1C(=O)NCCCSc1nccs1	759591613	YHKRKMDQWQDLOU-GFCCVEGCSA-N	313.492	3.455	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H](N3CCCC3)CC2)c1O	754742759	ZHOVTYWWEIRNSX-QGZVFWFLSA-N	318.461	3.160	10	20	DGCD	
CC(C)[C@H](O)C(C)(C)CN[C@H](C)c1cc(F)cc(F)c1O	756768976	CGQRPFFYBUEEQF-BMIGLBTASA-N	301.377	3.364	10	20	DGCD	
COc1ccc(N2CCN(Cc3cc(F)cc(F)c3)CC2)cc1	768140633	QNCCUTFTDSIOSO-UHFFFAOYSA-N	318.367	3.296	10	20	DGCD	
CCCN(Cc1c(O)cccc1OC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	769470251	JPDLVTXSNZHWRT-VHSSKADRSA-N	319.445	3.426	10	20	DGCD	
CN(Cc1c(O)ccc2oc3c(c12)CCCC3)CC1(C)COC1	863299261	ZAQARKZBPAURBA-UHFFFAOYSA-N	315.413	3.486	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCN3CCCC[C@@H]23)cc1	764966010	WXRFIIRMTLKWMR-SNRMKQJTSA-N	301.478	3.420	10	20	DGCD	
C[C@@H](NCC[S@@](=O)c1ccccc1)c1ccc(N(C)C)cc1	765905633	AUZWCLNAMRGQLD-IVZQSRNASA-N	316.470	3.211	10	20	DGCD	
CC[C@](C)(CNCc1ccc(N2CCSCC2)cc1)OC	876944079	XRKSZHJNIBMESK-QGZVFWFLSA-N	308.491	3.145	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@H]2CCOC3(CCC3)C2)cc1F	1118858844	WZCOMMZUCQKNEL-ZDUSSCGKSA-N	310.388	3.222	10	20	DGCD	
COc1ccc(N2CCCN([C@H](C)c3ncc(C)o3)CC2)cc1	771441789	FSAHBPQTDSQBCR-OAHLLOKOSA-N	315.417	3.265	10	20	DGCD	
Cc1c(C(=O)NCc2ccc(O)c(O)c2)oc2ccc(F)cc12	778925899	QHVLZHDVHVNEGC-UHFFFAOYSA-N	315.300	3.222	10	20	DGCD	
CC[C@@H](NCCCO[C@H]1CCOC1)c1cc(Cl)ccc1O	775514159	XJSQTZSFRXVIDX-DZGCQCFKSA-N	313.825	3.282	10	20	DGCD	
Cc1ccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1	773202091	YSXIDIXTLRJEHP-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
COc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1O	879647888	PGYPXXNFRHLPPJ-OLZOCXBDSA-N	314.385	3.079	10	20	DGCD	
C[C@@H]1CC[C@@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	776309738	MLFKJLXIRCKSLS-BFYDXBDKSA-N	316.445	3.137	10	20	DGCD	
Cc1ccc2c(c1)N(C(=O)/C=C\c1ccc(O)c(O)c1)CCC2	779515787	BSVPJYBIRGZTSO-TWGQIWQCSA-N	309.365	3.399	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(C)(C)O	786766196	MZTFOKFKIMDTQW-UHFFFAOYSA-N	318.461	3.186	10	20	DGCD	
Cc1nc2ccc(NC(=O)c3c(F)ccc(O)c3O)cc2s1	789940725	GPHDBVORCHCYKZ-UHFFFAOYSA-N	318.329	3.407	10	20	DGCD	
COc1cc(O)c(CN[C@H](c2ccccn2)C2CC2)cc1OC	896613446	XAXFNWITCPNIDO-SFHVURJKSA-N	314.385	3.045	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)C2CCC2)cc1C	1133464673	CGOXCLDXPTZQGX-LSDHHAIUSA-N	318.461	3.177	10	20	DGCD	
COC(=O)C1CCC(NCc2cc(Cl)cc(F)c2O)CC1	898610881	HAIAWXXPACFEHI-UHFFFAOYSA-N	315.772	3.006	10	20	DGCD	
C[C@@H]1SCC[C@@H]1NCc1c(O)cccc1Br	706871996	BAZPFESCJROXGZ-KWQFWETISA-N	302.237	3.138	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCC(F)(F)C2)c1	797586974	OJFJRTZIXDJXBI-GHMZBOCLSA-N	313.344	3.265	10	20	DGCD	
Cc1nn(C)c2ncc(NCc3c(O)ccc(Cl)c3F)cc12	790242807	LDZFGRAHTJIYJD-UHFFFAOYSA-N	320.755	3.387	10	20	DGCD	
COc1ccc(CN[C@@H]2CCCN(C(=O)CC(C)C)C2)cc1C	998413361	LGOYWUPHSNSSSD-QGZVFWFLSA-N	318.461	3.130	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc(Cl)nc1	1320978446	MCAHLTLLINQGEW-UHFFFAOYSA-N	309.112	3.177	10	20	DGCD	
CCC[C@@H]1C[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1323420856	ZOSXNTLMGMAIOD-VHSXEESVSA-N	323.780	3.410	10	20	DGCD	
Cc1cc(NCc2ccc(N3CCCC3)cc2)cc(C(N)=O)c1	1324377305	GEEYZWJMNDQCAZ-UHFFFAOYSA-N	309.413	3.306	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCC[C@H](F)C2)c(C)n1-c1ccccn1	1261499188	DPJJFPWBAZSBPJ-LSDHHAIUSA-N	315.392	3.500	10	20	DGCD	
OC[C@H]1Cc2ccccc2N1Cc1ccc(N2CCCC2)cc1	1350282495	JCFNONSVRBPMJH-LJQANCHMSA-N	308.425	3.210	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)c2ccc(F)cc2)cc1	1603724743	VAXJVXXLQULUAP-QGZVFWFLSA-N	316.376	3.197	10	20	DGCD	
CCN(C(=O)/C=C/c1scnc1C)c1ccccc1C(=O)O	1596134136	UNUIXQYFHQBQBA-CMDGGOBGSA-N	316.382	3.216	10	20	DGCD	
Cc1ccc(CNCc2cccc(Br)c2O)nc1	400931490	KYKPEUPJUCDIRL-UHFFFAOYSA-N	307.191	3.148	10	20	DGCD	
CCO[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1	701661682	OYCVQCVZRCVHGP-ZDUSSCGKSA-N	314.223	3.074	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)c(O)c1O	177670300	DGATVYVCTYTTTG-UHFFFAOYSA-N	303.383	3.273	10	20	DGCD	
CC(=O)Nc1cc(NCc2ccc(N(C)C)cc2)ccc1F	119600726	JAKITZVCSIONQA-UHFFFAOYSA-N	301.365	3.462	10	20	DGCD	
CCc1ccccc1NC(=O)NCc1cccc(OC)c1O	104979084	METFHUUQYVOWLS-UHFFFAOYSA-N	300.358	3.285	10	20	DGCD	
Cc1ccc([C@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c(O)c1	186326575	YUKSULFBFCFJLS-LBPRGKRZSA-N	312.369	3.229	10	20	DGCD	
COCCCOC1CCN(Cc2cccc(Cl)c2O)CC1	180354387	JVYCMSLOBGULGQ-UHFFFAOYSA-N	313.825	3.063	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@@H](CN2CCCCC2)C1	93683576	DLXIXOVNXNLOAW-AWEZNQCLSA-N	308.853	3.353	10	20	DGCD	
COc1ccsc1C(=O)NCc1c(C)c2ccccc2n1C	348702735	AXCJOHIAHBBIAK-UHFFFAOYSA-N	314.410	3.487	10	20	DGCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCCCCC2)cc1	268716626	IUYOVVOHGCPEIQ-HZPDHXFCSA-N	317.477	3.242	10	20	DGCD	
CN(C)c1ccc(CN2CCOC[C@@H]2c2ccco2)cc1F	369773071	OWFSSUXCWHTDMP-MRXNPFEDSA-N	304.365	3.058	10	20	DGCD	
C[C@H](NCc1cc(F)ccc1O)c1ccc([S@@](C)=O)cc1	272421162	LZCQUHNYOGHGAQ-WIUDPPPLSA-N	307.390	3.120	10	20	DGCD	
C[C@H](NCC[C@@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1O	273388108	DELXEWBNAAUWLU-FRRDWIJNSA-N	308.378	3.156	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@](C)(CC)C(=O)O)cc1F	277991040	NFIRERBPEBHIMZ-KRWDZBQOSA-N	310.413	3.262	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc3c(c2)N(C(N)=O)CCC3)c1	278691237	IVGDURJCFZDTAE-UHFFFAOYSA-N	311.385	3.144	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)[C@H](OC)c2ccccc2F)c1	272378540	DGEGLXYOKCUWKB-XIKOKIGWSA-N	319.376	3.406	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1CCC1	271444831	ORRZLHMSCNVJCJ-UHFFFAOYSA-N	324.490	3.093	10	20	DGCD	
COc1cc(CN(C)Cc2c(O)cccc2Cl)ccc1O	271031127	GVCQKTBIOXPEBB-UHFFFAOYSA-N	307.777	3.392	10	20	DGCD	
CC[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(C)cc1O	279968040	CSDFFCAZALBKIV-MRXNPFEDSA-N	313.401	3.432	10	20	DGCD	
CCCCn1nccc1NC(=O)c1ccc(C2=S=CC=C2)o1	541188274	OFRWBRDTHAYGJP-UHFFFAOYSA-N	315.398	3.154	10	20	DGCD	
C[C@H](NC1CCN(c2nccs2)CC1)c1cc(F)ccc1O	281683002	RNEQZYRWJHVVRI-NSHDSACASA-N	321.421	3.307	10	20	DGCD	
CCc1nc([C@@H](C)N[C@H](C)c2cc(Cl)cc(C)c2O)n[nH]1	808710217	MWDCCOLTWNPQCY-NXEZZACHSA-N	308.813	3.446	10	20	DGCD	
CC[C@@H](NC1CCNCC1)c1ccc(C(F)(F)F)cc1O	817937636	YQWXOYPCORJSPA-CYBMUJFWSA-N	302.340	3.204	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C/c2cncc(C)c2)cn1	823431511	ZVASTIUXXOEUEO-VOTSOKGWSA-N	312.417	3.309	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O	824723074	ZYGCZFHAPFBVLG-GLQYFDAESA-N	313.800	3.310	10	20	DGCD	
CC[C@]1(C(=O)O)CCCN(Cc2c(O)cc(C)cc2Cl)C1	904398406	OSLXQTLJLAVCBA-INIZCTEOSA-N	311.809	3.431	10	20	DGCD	
C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)cc1O	848566016	PJHDAKUMMHNIFG-YKJXYISPSA-N	303.789	3.355	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)/C=C(/C)COC)cc1	844306794	XGWPEHBKVVYQHQ-QINSGFPZSA-N	304.434	3.084	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(N(C)CCO)cc1	840925266	KCZHMLIPJCIGDN-UHFFFAOYSA-N	313.445	3.102	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@H]2CCCO2)c1	749561351	HXQHBDJGWRSGHE-MRXNPFEDSA-N	312.413	3.311	10	20	DGCD	
Cc1cc(NC(=O)NCCCSc2nccs2)sn1	758617981	IKBTYJQXWBXNBX-UHFFFAOYSA-N	314.461	3.212	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCC(F)(F)C2)c1	858425736	JSSNITICMSGWKH-LBPRGKRZSA-N	312.360	3.325	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2C[C@H](O)C2)c(C)n1-c1cccc(Cl)c1	856394606	OICDLSHHOYGFAQ-CTYIDZIISA-N	318.804	3.001	10	20	DGCD	
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cncc(F)c1	755983597	HFQZLRNPDUPMHB-UHFFFAOYSA-N	324.377	3.159	10	20	DGCD	
Cc1cc(O)c(CNCC[C@H](C)NC(=O)OC(C)(C)C)cc1C	856813559	XCLGPQOKTLGQCF-AWEZNQCLSA-N	322.449	3.402	10	20	DGCD	
COc1ccccc1OCCN[C@@H](C)c1cc(F)cc(F)c1O	756371480	JYICPCREKTUVBC-NSHDSACASA-N	323.339	3.409	10	20	DGCD	
Nc1ccc(Cc2noc([C@H]3[C@H]4c5ccccc5C[C@H]43)n2)cc1	863655635	HBNXKCOJWYGYMS-BPQIPLTHSA-N	303.365	3.296	10	20	DGCD	
Cc1cc2c(N[C@H](C)Cc3ccc(O)c(O)c3)ncnc2s1	762800910	YTXZVYFYDILLRA-SECBINFHSA-N	315.398	3.454	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(O)(CC)CC2)cc1F	769485732	OMXHYQJDRGNRFL-UHFFFAOYSA-N	308.441	3.409	10	20	DGCD	
CC(C)OCCCN(C)Cc1cc(F)c(N(C)C)cc1F	862246451	IHMVZPCQSXNFGR-UHFFFAOYSA-N	300.393	3.278	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2scnc2C2CC2)cc1	762982011	STGRPJABGKIKSI-UHFFFAOYSA-N	316.430	3.408	10	20	DGCD	
COC(=O)c1cc(CN(C)c2ccc(OC(C)C)cc2)c[nH]1	763541770	UNWLHAPOIWQRBI-UHFFFAOYSA-N	302.374	3.225	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCO[C@@H](Cc2ccccc2)C1	776691753	MMOQVAFXJJWZSZ-KRWDZBQOSA-N	317.816	3.489	10	20	DGCD	
COc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F	773012178	SOSMJMIPUXYGCS-GFCCVEGCSA-N	316.376	3.391	10	20	DGCD	
CCCc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)co1	775412364	XEWUDYUKSYGULV-GFCCVEGCSA-N	301.390	3.184	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](CN(C)CC3CC3)C2)cc1	773755992	SLIJERVIJGXVPV-IBGZPJMESA-N	315.505	3.306	10	20	DGCD	
Cc1ccc2c(CCC(=O)NCc3ccc(O)c(O)c3)c[nH]c2c1	778916483	IROHRULZHBDLRM-UHFFFAOYSA-N	324.380	3.137	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(-n3ccnc3)nc2)cc1F	777513961	KLYFQOKNHUMDIZ-UHFFFAOYSA-N	311.364	3.085	10	20	DGCD	
CC[C@H](NCC1(OC)CCOCC1)c1cc(Cl)ccc1O	775523250	GUANKWZSXSGYOF-AWEZNQCLSA-N	313.825	3.282	10	20	DGCD	
Cc1cc(F)ncc1/C=C1/SC(=S)N(C2CCC2)C1=O	899260377	DYOVNHHIXMQQBB-IZZDOVSWSA-N	308.403	3.283	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CN1CC2(CC2)C1	894871399	UHBTUUPWBBYSSI-UHFFFAOYSA-N	302.599	3.404	10	20	DGCD	
CN(Cc1ccccc1Cl)C(=O)c1c(F)ccc(O)c1O	789939565	PFBYLOYVNJHXES-UHFFFAOYSA-N	309.724	3.163	10	20	DGCD	
C[C@H](NC1CCN(C)CC1)c1cccc(C(F)(F)F)c1O	798180082	YOWRBIJJKQMHIZ-JTQLQIEISA-N	302.340	3.156	10	20	DGCD	
CN(C)c1ccc([C@H](CNC(=O)CCC2(C)CC2)N(C)C)cc1	891257839	KPWAGDJHXVSPIY-KRWDZBQOSA-N	317.477	3.052	10	20	DGCD	
CCC[C@H](C(=O)NCCNCc1ccc(OC)c(C)c1)C(C)C	1134567435	XSJRSJKGGXKCAT-KRWDZBQOSA-N	320.477	3.282	10	20	DGCD	
C[C@@H]1CC[C@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1	793347290	RWXPPCUQACYHQJ-CABCVRRESA-N	306.425	3.188	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2C(C)(C)C2(C)C)c1	793309981	WBTBNDLEPRDGSQ-NSHDSACASA-N	320.433	3.443	10	20	DGCD	
OC[C@H](C1CC1)[C@@H](NCc1ccc(N2CCCC2)cc1)C1CC1	1324376640	CHJRCSAMOOVLPC-UXHICEINSA-N	314.473	3.174	10	20	DGCD	
CCCN1C[C@H](CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)CC1=O	1325489291	KBCQTKRJTXRLIC-SOUVJXGZSA-N	316.445	3.097	10	20	DGCD	
CC[C@H](NCC[C@H](C)NC)c1ccc(C(F)(F)F)cc1O	1326037080	VRKHMTMTANBJCL-GWCFXTLKSA-N	304.356	3.450	10	20	DGCD	
CC(C)OCCCCNCc1cccc(Br)c1O	228564698	OPMNJBCBZNVYCP-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
C[C@H](NCCC[C@H]1CCCCO1)c1cc(C(=O)O)ccc1O	1593264425	KIHFAABAYPMXHY-GXTWGEPZSA-N	307.390	3.090	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(F)c(C(=O)O)c1)c1ccccc1O	1599895216	URSGCNXLQZPWOR-VIFPVBQESA-N	318.304	3.112	10	20	DGCD	
CCN1CCc2cc(CNCc3ccc(C(=O)O)cc3)ccc21	1776877710	HCWGIZCENUZAGZ-UHFFFAOYSA-N	310.397	3.057	10	20	DGCD	
CN(CC1CC(C(F)(F)F)C1)c1ccc(OCC(=O)O)cc1	1777051027	LRWKAXDXWGMWAC-UHFFFAOYSA-N	317.307	3.175	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCO[C@]3(CCSC3)C2)cc1C	151397717	HJFMBJUXUZZOBA-NVXWUHKLSA-N	307.459	3.153	10	20	DGCD	
CCCC[C@H](COC)N[C@@H](C)c1ccc(N2CCOCC2)cc1	155328888	LDCHIDWKEYUXAS-FUHWJXTLSA-N	320.477	3.379	10	20	DGCD	
CC[C@H](NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1O	154976322	YKEAGHYJPYNDDQ-INMHGKMJSA-N	320.477	3.321	10	20	DGCD	
C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1O	154037426	UHEWHIVUINEKDD-OAHLLOKOSA-N	307.397	3.488	10	20	DGCD	
CCOC[C@H](NCc1cc(Cl)cc(OC)c1O)C(C)C	188002840	TXIYPQLQGNYLJS-ZDUSSCGKSA-N	301.814	3.205	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)/C=C(/C)C3CC3)CC2)cc1	55877143	MOIXDYAFPQFFOG-PFONDFGASA-N	314.429	3.090	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)C[C@@H]2CCCOC2)c1O	107064803	URTTYHHUVAMPAG-LBPRGKRZSA-N	311.809	3.107	10	20	DGCD	
CN(Cc1cnn(C)c1)Cc1cc(Cl)cc(Cl)c1O	119699763	BCGYGAFLIPXWCH-UHFFFAOYSA-N	300.189	3.065	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cccc(O)c1	112457640	OYNSECWEWZLYEJ-GFCCVEGCSA-N	300.358	3.000	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)cc1F	121824564	VFBYCSGDFDSKBN-UHFFFAOYSA-N	321.323	3.396	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1O	187804660	GEEJYFPIUNLUDC-VOJFVSQTSA-N	319.351	3.155	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1	75499360	YQMLAWXGSZZGBB-DOTOQJQBSA-N	301.434	3.227	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@H](C)c2cc(C)ccc2O)cc1	184948194	YEYJTDCVRRHKRD-ACJLOTCBSA-N	301.386	3.093	10	20	DGCD	
COc1ccc(N(C)Cc2cccc(NC(C)=O)c2)c(OC)c1	132076273	AQSNULHBCXTIDG-UHFFFAOYSA-N	314.385	3.299	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC2(O)CCC(C)(C)CC2)c1	316391239	WIHJVDCJGODVBB-ZDUSSCGKSA-N	307.434	3.383	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2csc(C3CC3)n2)cc1	194792774	POLRKRIQZXFNGU-UHFFFAOYSA-N	301.415	3.017	10	20	DGCD	
Cc1ccc([C@H](C)NCCc2ccc3c(c2)OCCO3)c(O)c1	192902469	VCDFDXVICOPTTA-AWEZNQCLSA-N	313.397	3.365	10	20	DGCD	
CCCN(CC(=O)NC)Cc1cc(-c2ccccc2)ccc1O	92381620	AOOKKGAMQAWRHI-UHFFFAOYSA-N	312.413	3.017	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cccs1	276594866	LGKQCPIKGXJCDI-UHFFFAOYSA-N	317.458	3.198	10	20	DGCD	
COCc1nc(CN[C@@H](C)c2ccc(F)c(F)c2O)cs1	289911016	UJAPVNRXZLDMLD-QMMMGPOBSA-N	314.357	3.124	10	20	DGCD	
C[C@H](NCc1cc(-c2ccccc2)ccc1O)C(=O)N1CCCC1	281546049	ZPGLTCQNPBKDDU-HNNXBMFYSA-N	324.424	3.160	10	20	DGCD	
COC(=O)c1ccc(CNCc2cc(Cl)ccc2O)cc1	809732720	ISOBIXGBUSSFAQ-UHFFFAOYSA-N	305.761	3.122	10	20	DGCD	
CC(=O)N1CCC[C@@H](CN[C@H](C)c2cc(Cl)cc(C)c2O)C1	808717321	BZISFJLXBWHDCL-OCCSQVGLSA-N	324.852	3.263	10	20	DGCD	
CC(=O)Nc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1	292867013	BQOHQHRQMRNXME-MDWZMJQESA-N	318.423	3.009	10	20	DGCD	
COCc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)o1	292243731	CLZJNNZNWDEUQL-GHXNOFRVSA-N	309.412	3.180	10	20	DGCD	
COC1CCN(c2ccc(CN(C)CCCSC)cc2)CC1	295463783	XNKBPGQIKVWVED-UHFFFAOYSA-N	322.518	3.487	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(C(=O)OC)cn2)cc1	813588428	NSBQQPVKWIOSJZ-UHFFFAOYSA-N	313.401	3.327	10	20	DGCD	
COC[C@@H](O)CNc1cc2oc3ccccc3c2cc1OC	819399766	XEAFGFFTXHKJOA-NSHDSACASA-N	301.342	3.014	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](Cc1ccccc1)[C@@H](C)N	817894842	QRVZSFSHBSGROH-OXQOHEQNSA-N	311.473	3.109	10	20	DGCD	
CCCC[C@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	810124944	LHCXKPSVHIBLBY-INIZCTEOSA-N	319.493	3.222	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1Cl	825391018	OHBABEWNFVQTPC-DAXOMENPSA-N	307.821	3.401	10	20	DGCD	
CN(C(=O)/C=C\c1cncc(F)c1)c1ccc2ccccc2n1	491905246	NUHOFLZDEAKVPH-TWGQIWQCSA-N	307.328	3.445	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](O)Cc2ccccc2)cc1Cl	825240880	LRETVVYRBSAGSL-OAHLLOKOSA-N	305.805	3.047	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2occc2C)cc1	822608902	ZGDJHLLCYMKCIR-UHFFFAOYSA-N	300.402	3.293	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)CCN(C)C)cc1	733165859	MHBQNTTVCRGTHI-CQSZACIVSA-N	313.445	3.164	10	20	DGCD	
CN1CCCc2cc(CNCc3ccc(C(=O)O)s3)ccc21	903677391	QVFQEUZUPNVTMA-UHFFFAOYSA-N	316.426	3.119	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C\c2cnccc2C)cc1OC	492533050	MDYBTRQSSPZZGZ-YVMONPNESA-N	312.369	3.083	10	20	DGCD	
O=C(NCc1cc(Br)cs1)c1cc(O)cs1	731872132	WYAXVVDAHLPPFJ-UHFFFAOYSA-N	318.217	3.208	10	20	DGCD	
Oc1c(Br)cccc1CNc1nnc(C2CCC2)o1	905427833	ZZARNWOCIBZMME-UHFFFAOYSA-N	324.178	3.417	10	20	DGCD	
C[C@@]1(COC(=O)/C=C\c2ccc(O)c(O)c2)CC1(Cl)Cl	837588638	SQINNUYPKOUOTP-DXTPNHAXSA-N	317.168	3.238	10	20	DGCD	
O=C(NC[C@H](c1ccccc1)C1CC1)c1c(F)ccc(O)c1O	832826826	ZHYCBTBZFOXUJW-CYBMUJFWSA-N	315.344	3.161	10	20	DGCD	
CC1(C)CC(=O)c2sc(NC(=O)c3cc(O)cs3)nc2C1	731869030	IQSABQNXFVJRON-UHFFFAOYSA-N	322.411	3.318	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@H](Cc2ccccc2)C2CC2)cc1	841829571	RABDMQLUENECAE-LJQANCHMSA-N	323.440	3.132	10	20	DGCD	
CCOc1ccc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(O)c1	742376741	FJLRSSBCZRIORU-OIISXLGYSA-N	305.418	3.084	10	20	DGCD	
OCC[C@@H](NCc1cc(Cl)ccc1O)c1ccccc1F	842762598	HWXBPQXAGNOBCE-OAHLLOKOSA-N	309.768	3.398	10	20	DGCD	
COc1ccc([C@H](CO)CN[C@@H](C)c2cc(C)ccc2O)cc1	840808364	KAXWRCZCKLLSHA-HOCLYGCPSA-N	315.413	3.136	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C(=O)OC(C)C)C(C)C)c1O	846169359	PZVFUVMQVLWECX-WFASDCNBSA-N	309.406	3.028	10	20	DGCD	
Cc1cc(Br)cc(CNCCCCCCN)c1O	843126899	KWJSVMOSVKVNAN-UHFFFAOYSA-N	315.255	3.072	10	20	DGCD	
COCc1ccccc1C(=O)NCc1cc(Cl)ccc1O	857547421	COZQWZHSWVKLGE-UHFFFAOYSA-N	305.761	3.122	10	20	DGCD	
C[C@H](NC[C@@H]1COc2ccccc2C1)c1ccc(F)cc1O	756458191	UGCVLBJGTCJWAK-QWHCGFSZSA-N	301.361	3.433	10	20	DGCD	
CC1CCN([C@H](C)CN[C@@H](C)c2cc(F)cc(F)c2O)CC1	756504022	OPZGFTBMIGOZHY-OLZOCXBDSA-N	312.404	3.441	10	20	DGCD	
CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl	850571158	NWGFYMAQFKVVRX-VUCTXSBTSA-N	324.852	3.005	10	20	DGCD	
Cc1cc(CCNc2nccc(CO)n2)c(C)n1-c1ccccc1	858867277	DWGOLCWGSNSRKV-UHFFFAOYSA-N	322.412	3.031	10	20	DGCD	
COc1cccc(OCCN(C)c2ccc(OC)cc2OC)c1	752108914	DHQMSQPEPPDMFL-UHFFFAOYSA-N	317.385	3.228	10	20	DGCD	
CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)cc(F)c1O	768266990	ZHORAXFTPUGZEJ-AWEZNQCLSA-N	306.724	3.381	10	20	DGCD	
COc1cccc(O)c1CN1CCO[C@H](c2ccccc2F)C1	769309312	ULRVEARHPWYGOU-SFHVURJKSA-N	317.360	3.113	10	20	DGCD	
CCCN(CC(=O)OCC)Cc1cc(Cl)cc(Cl)c1O	768998455	MFTFLXHCMGUPIH-UHFFFAOYSA-N	320.216	3.474	10	20	DGCD	
Cc1noc(C)c1CN(C)Cc1cc(F)c(N(C)C)cc1F	862227258	YFJBZQYMDHUJDJ-UHFFFAOYSA-N	309.360	3.268	10	20	DGCD	
CCOc1ccc(CN2CCC(CCCN(C)C)CC2)c(O)c1	769497238	ATPMPVZHKVGCII-UHFFFAOYSA-N	320.477	3.345	10	20	DGCD	
CC[C@H]1[C@@H](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C	776126292	AWGXRMBSORLITC-YOEHRIQHSA-N	315.461	3.399	10	20	DGCD	
CCOc1ccc(CN[C@@H](CC)[C@H](O)c2ccccc2)c(O)c1	873194993	XJYUTFXHRKYDSB-PKOBYXMFSA-N	315.413	3.393	10	20	DGCD	
CCCCC[C@H](C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775830419	IEVYQERJSDSZFT-HOTGVXAUSA-N	319.493	3.488	10	20	DGCD	
CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1cc(Cl)ccc1O	877857403	QPMDQKHZWILKJN-ZDUSSCGKSA-N	310.825	3.301	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H](F)Cc2ccccc2)cc1F	777970468	CGYBKMCVMTZMHH-MRXNPFEDSA-N	318.367	3.089	10	20	DGCD	
CN(Cc1ccn(-c2ccccc2)n1)Cc1cc(F)ccc1O	778999596	IHWMTHATKYZAOR-UHFFFAOYSA-N	311.360	3.349	10	20	DGCD	
C[C@@H](NC/C(Cl)=C/Cl)c1ccc(N2CCOCC2)cc1	775255053	NTGJQJOIHITBJK-XTCQQWIJSA-N	315.244	3.493	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(CC(C)C)CC(C)C)c1O	774822495	YUGXPVIIDYLZFG-UHFFFAOYSA-N	310.394	3.423	10	20	DGCD	
Cc1cc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c(C)s1	789952470	FCOIKWVWWKNPLG-MRVPVSSYSA-N	309.362	3.406	10	20	DGCD	
Cc1ccc(C[C@H](CO)NCc2c(O)cccc2Cl)cc1	786164099	NXIBZAXOHVQFGP-CQSZACIVSA-N	305.805	3.047	10	20	DGCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@H]2F)cc1	1123826317	PIDRCQZINHDUOW-OLZOCXBDSA-N	318.314	3.002	10	20	DGCD	
CC1(C)Cc2cccc(NC(=O)NCc3ccccc3O)c2O1	789394081	YKKPHZDXMZYPSN-UHFFFAOYSA-N	312.369	3.427	10	20	DGCD	
C[C@H](CN[C@@H](C)c1ccc(N(C)C)cc1)CC1(C)OCCO1	715951574	DYKRTXZCZBCPIQ-GJZGRUSLSA-N	306.450	3.192	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(C[S@](C)=O)cc2)c(O)c1	797134652	VJQXCGUMMNGERB-FPTDNZKUSA-N	317.454	3.430	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1	1319973218	QZTUPCDMJBATMM-GOSISDBHSA-N	324.424	3.095	10	20	DGCD	
C[C@@H]1CC[C@@H](CCC(=O)Nc2c(Cl)ccc3nonc23)O1	1327168113	XWBPZWUOKYRDAV-BDAKNGLRSA-N	309.753	3.162	10	20	DGCD	
C[C@@H]1CCCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1320537998	NQSYXSVSZUFNCG-MRXNPFEDSA-N	319.468	3.200	10	20	DGCD	
COc1cc(C)cc(CNCCCc2nc(C)cs2)c1O	1331554955	ZRNKBUOJRSXNSB-UHFFFAOYSA-N	306.431	3.197	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2)cc1)[C@H](O)c1ccccc1	1347225947	ZUHCRERFFYLLHG-UZLBHIALSA-N	310.441	3.499	10	20	DGCD	
CC[C@@H](C)C[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1576972540	VWXBLBPIMJIDKM-RDTXWAMCSA-N	317.477	3.007	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCN[C@@H](C)C1	1579673632	AFVZIBASLKJTNG-SMDDNHRTSA-N	317.458	3.026	10	20	DGCD	
C[C@@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1O)c1ccsc1	1589952357	NNQAIDJNEPMGTL-NXEZZACHSA-N	315.402	3.046	10	20	DGCD	
CCN(Cc1cccc(C(=O)O)c1)c1ccc(OC)c(OC)c1	1589736757	LAFHZLPNJHVYLM-UHFFFAOYSA-N	315.369	3.429	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@](C)(C(=O)O)C2)cc1	1776861200	NTQQEUGXJSHIAL-QAPCUYQASA-N	304.434	3.266	10	20	DGCD	
CC[C@@H](NCCC(=O)NC1CCCCC1)c1ccccc1O	155246567	UDRXEWFWOYHMRW-MRXNPFEDSA-N	304.434	3.272	10	20	DGCD	
C[C@@H](Cc1cccnc1)NCc1cc(Br)ccc1O	897969117	FFJJLYUTNAFHNX-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
Cc1cccc(CNC(=O)COc2ccc(N3CCCC3)cc2)c1	178196773	KDPFXSFPBBHWAW-UHFFFAOYSA-N	324.424	3.290	10	20	DGCD	
CCCCCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	68512542	LQBFKABCKKBRBQ-HNNXBMFYSA-N	304.434	3.281	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccsc1	172694080	QTLFMHMHTOLHMN-UHFFFAOYSA-N	313.426	3.124	10	20	DGCD	
CCN(C)C[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	177356078	NSHRFKJBSAKXAX-CYBMUJFWSA-N	324.852	3.022	10	20	DGCD	
COc1cccc(CN(C)CCOc2ccccc2F)c1O	121522667	XWDXDFYLICWJTN-UHFFFAOYSA-N	305.349	3.051	10	20	DGCD	
Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1	187616986	OADNKPDWKWPJAV-CYBMUJFWSA-N	314.385	3.467	10	20	DGCD	
Cc1ncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)s1	123412750	UKVKCLAARCQWNN-ZDUSSCGKSA-N	317.458	3.139	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2csnc2C)cc1	181805571	HQNBHYGMOKLKBE-UHFFFAOYSA-N	303.431	3.228	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2C[C@H](C)Oc3c(F)cccc32)s1	185555296	CINRGTNIEOBDCR-FGEFZZPRSA-N	318.373	3.418	10	20	DGCD	
C[C@@H](NCCn1ccnc1)c1cc(Cl)c(Cl)cc1O	192604375	BMGOPHQFFCUESA-SECBINFHSA-N	300.189	3.246	10	20	DGCD	
Cc1c(NCc2cc3c(cc2O)OCO3)cnn1C1CCCC1	195455440	ZAULWKUYABZDHS-UHFFFAOYSA-N	315.373	3.353	10	20	DGCD	
CCOc1cccc(CN(C)CC[C@H]2CCCCN2C)c1O	93660021	URMYIELZQDNIMF-MRXNPFEDSA-N	306.450	3.097	10	20	DGCD	
COCCOc1cc(C)ccc1NCc1cc(OC)ccc1O	237100759	VBQYEBNEPHLTNC-UHFFFAOYSA-N	317.385	3.347	10	20	DGCD	
OCC1CCN(c2ccc(CNC[C@@H]3CC=CCC3)cc2)CC1	238171776	GGXBBDNBIOBFKB-QGZVFWFLSA-N	314.473	3.341	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCCc2c(F)ccc(F)c21	255779343	WVAAWDWJQDNGLR-UTCJRWHESA-N	318.298	3.492	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc(C)cc2O)cc1[N+](=O)[O-]	273571558	KRSHVEJAXNFBFL-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
CCOc1cccc(CN2CC[C@@H](C3CCOCC3)C2)c1O	377241876	GSKRYQFVRGZYEX-OAHLLOKOSA-N	305.418	3.039	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@H]2COC3(CCCC3)O2)c(O)c1	285304472	SGAZFFRMOZDUSL-CABCVRRESA-N	305.418	3.345	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1F	293678935	POSUEFVKKAETSJ-GOSISDBHSA-N	318.436	3.283	10	20	DGCD	
CCCN(Cc1ncc(CN(C)C)s1)c1ccc(CN)cc1	809654594	IGGPOBGACDBEBX-UHFFFAOYSA-N	318.490	3.080	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@]2(C)CCCO)c(O)c1	290447259	MDDBRNXRERBSAQ-GOSISDBHSA-N	307.434	3.308	10	20	DGCD	
CC(C)[C@@H](C(=O)O)[C@@H](C)NCc1c(O)ccc(Cl)c1F	819164974	YFKYWLWMOJMYBW-PRHODGIISA-N	303.761	3.020	10	20	DGCD	
CC1(NC(=O)NCc2ccc(N3CCCC3)cc2)CCCC1	728745283	QXQCEANQAADZJV-UHFFFAOYSA-N	301.434	3.419	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CCC[C@@H]4C[C@H]34)cc2F)CC1	825137479	ASUWBRVGJKRXTE-HFTRVMKXSA-N	318.436	3.065	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CO)c1ccc(F)cc1F	827715082	HGNSKDYWMGMBFZ-SFHVURJKSA-N	320.383	3.162	10	20	DGCD	
CCCN(Cc1ccc(Br)cc1O)CC(C)(C)O	824714902	WMNHXEXCOKCYML-UHFFFAOYSA-N	316.239	3.138	10	20	DGCD	
CCOC(=O)c1ccc(CNCc2cc(Cl)c(C)cc2O)o1	825917156	XQHUTUMAAROWHT-UHFFFAOYSA-N	323.776	3.414	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](O)CCc2ccccc2)cc1Cl	825500494	DFTDYGSUETUBMQ-MRXNPFEDSA-N	319.832	3.437	10	20	DGCD	
CCC[C@@H](C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726609659	AHXSMSREZCGFSG-CQSZACIVSA-N	319.449	3.152	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@@H]2COC[C@H]2C)c1O	903395293	KUCGXPACSSGDRB-GBIKHYSHSA-N	314.223	3.149	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1CCc2ccc(F)cc21	730124507	AEXBGGBMMRLPBJ-HNNXBMFYSA-N	300.333	3.018	10	20	DGCD	
CCN1CCC[C@@H](N[C@H](C)c2ccc3ccccc3c2O)C1=O	903391920	JGQUILAROOBZHZ-CXAGYDPISA-N	312.413	3.207	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H](C)c2nnc(C)o2)cc1	738300212	UUWQJDZUWCZGFU-CYBMUJFWSA-N	302.422	3.417	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C(=O)O)c1cccs1	901599585	XEOOIUZMTBQQGR-OAHLLOKOSA-N	304.415	3.038	10	20	DGCD	
COCCC[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839920211	NHXXSYXIVXFFGG-ZBFHGGJFSA-N	320.477	3.171	10	20	DGCD	
COc1ccc2c(c1)CCCN2C(=O)/C=C\c1cnc(C)s1	732730018	HHQFUSGKOJEWSB-VURMDHGXSA-N	314.410	3.453	10	20	DGCD	
COc1cc2c(c(OC)c1)N(CCn1cc(Cl)cn1)CCC2	839655472	PMURCNURTMINGW-UHFFFAOYSA-N	321.808	3.007	10	20	DGCD	
Cn1cnc(/C=C/C(=O)N(CC2CCCCC2)c2ccccn2)c1	904030079	ODXMNRICIQGXHU-ZHACJKMWSA-N	324.428	3.442	10	20	DGCD	
C[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccc(Br)cc1O	834915702	SAKSKZRZLNNRLQ-JFGNBEQYSA-N	314.223	3.373	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)C[C@@H](C)N)c2C)c1	843504283	PBYRAVYPHRDAFD-ZIAGYGMSSA-N	313.445	3.258	10	20	DGCD	
CCC[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCO1	846472946	GYBKROWZLLHXRU-FZMZJTMJSA-N	311.809	3.257	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN[C@H]1CCCN2CCCC[C@@H]12	848575016	KSJJAOSNYFUUAW-KBPBESRZSA-N	312.816	3.291	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@](C)(O)c1cccs1	840933538	HQZYNTLOBQHJKK-KRWDZBQOSA-N	304.459	3.120	10	20	DGCD	
Cc1noc(C)c1[C@H](C)C(=O)NCc1cc(Cl)ccc1O	846473161	PXALNLNWLWFQLL-QMMMGPOBSA-N	308.765	3.070	10	20	DGCD	
CC(C)OCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	757978820	VZMWYVJUDQLXJR-UHFFFAOYSA-N	321.421	3.100	10	20	DGCD	
c1cc2c(c(CNCCCSc3nccs3)c1)OCC2	921753793	GMABYJSVYSLILB-UHFFFAOYSA-N	306.456	3.350	10	20	DGCD	
CO[C@@H](CNCc1c(O)cccc1Br)CC(C)C	858179388	MFNYJRAIRUUXIR-LLVKDONJSA-N	316.239	3.305	10	20	DGCD	
CN(C)c1cc(F)c(CNCC(F)(F)C(F)F)cc1F	858169297	POIYCKXLDMEXOR-UHFFFAOYSA-N	300.246	3.021	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@@H]2CCCCN(C)C2)c2c(O)ccc(F)c21	858490662	LKSKNMYGRZHIGH-IPYPFGDCSA-N	306.425	3.401	10	20	DGCD	
CCO[C@H](C(=O)N(C)Cc1ccc(N(CC)CC)cc1)C1CC1	858201592	QLKSYEUKCPDVCF-SFHVURJKSA-N	318.461	3.306	10	20	DGCD	
COc1ccc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	756342164	ODJFXEGQCZUINM-GFCCVEGCSA-N	316.357	3.202	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1O	756710079	ABGHMLAIBZTLQW-XHDPSFHLSA-N	321.804	3.438	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	756639783	FAIHJBLLEOFNCT-GUTXKFCHSA-N	324.440	3.026	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(CO)c(C)o1	868110341	ZSZDMFKKUUWQIN-UHFFFAOYSA-N	317.385	3.228	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCC(F)(F)C2)c1O	763523039	TYKRZECFCHYMHW-VIFPVBQESA-N	306.696	3.231	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](CC(=O)O)C2CCCC2)cc1	864523902	OIYCXFYUVHDIPP-INIZCTEOSA-N	304.434	3.123	10	20	DGCD	
CCC1(O)CCC(NCc2cc(Cl)cc(OC)c2O)CC1	761216422	RKKAWDWPHZAKQW-UHFFFAOYSA-N	313.825	3.228	10	20	DGCD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(N)cc1	868063081	YCJWOODIIOVGKY-ZDUSSCGKSA-N	300.377	3.293	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CC[C@@H]3SCCS[C@H]32)cc1	762612211	CXCPGSFRCPLDJL-PMPSAXMXSA-N	308.516	3.222	10	20	DGCD	
C[C@@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccccc1O	879648511	RRZVNLWXYBDNPS-FMKPAKJESA-N	304.434	3.080	10	20	DGCD	
Cc1cccc(O)c1CNCCn1nc(C(F)(F)F)cc1C	896270612	JSJHNXYYTGZOJO-UHFFFAOYSA-N	313.323	3.014	10	20	DGCD	
CC(C)(C)C[C@H](O)CNCc1c(O)cccc1Br	706830341	REUSJVIUNQHWIU-JTQLQIEISA-N	316.239	3.041	10	20	DGCD	
COC(=O)c1ccc(Cl)c(CNCc2ccccc2O)c1	795911323	JUVCIFNZUNLECN-UHFFFAOYSA-N	305.761	3.122	10	20	DGCD	
COc1ccc(CNc2nnc(C)cc2C(F)(F)F)c(O)c1	795284873	MGSKVVIJNBCPIA-UHFFFAOYSA-N	313.279	3.130	10	20	DGCD	
C[C@@H](CC(=O)OC(C)(C)C)N[C@H](C)c1cc(F)cc(F)c1O	1325357008	NGSWMWPVZHEFOO-VHSXEESVSA-N	315.360	3.441	10	20	DGCD	
CN(c1ccc(CNc2cc(N)ncn2)cc1)C1CCCCC1	1326515001	USQZNHQXWXDCIC-UHFFFAOYSA-N	311.433	3.440	10	20	DGCD	
C[C@H]1CCc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2C1	1330529291	QWNXLHMQYBNVTL-ZETCQYMHSA-N	322.361	3.071	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CC[C@@H](C2CCCC2)C1	1338750287	LUYGPFNQXJBXIG-GFCCVEGCSA-N	318.446	3.266	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H]1CCN(CC2CC2)C1	1337784976	HKYTZVHPJUTFHF-VNQPRFMTSA-N	300.446	3.323	10	20	DGCD	
Cc1cccc(CN[C@@H](C)[C@H](Cc2ccccc2)C(=O)O)c1O	1600532645	XNASOUTWKKAUJR-YOEHRIQHSA-N	313.397	3.122	10	20	DGCD	
CCC(CC)(CC(=O)O)NCc1cc(Cl)cc(F)c1O	1604992238	MWQVQTHPXIAYBU-UHFFFAOYSA-N	303.761	3.308	10	20	DGCD	
CN1C(=O)/C(=C\c2ccccc2Br)SC1=S	5124159	HZGQICJUZSXFGD-RMKNXTFCSA-N	314.229	3.280	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1cc(C(F)(F)F)ccc1F	206403757	HKUFAQZZHBRPMH-XBXARRHUSA-N	307.293	3.333	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@]2(C)CCCS2)c1	153409629	MOHKOBCJPWIGSJ-BDJLRTHQSA-N	324.446	3.047	10	20	DGCD	
CC[C@@H](C)CN(C)C(=O)NCCCSc1nccs1	154677507	BDQWNYBQLIXRAQ-LLVKDONJSA-N	301.481	3.313	10	20	DGCD	
O=C(Cc1cccc2ccccc12)NCc1ccc(O)c(O)c1	159009431	SGFFFQXTUBOIHU-UHFFFAOYSA-N	307.349	3.110	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@@H](O)C(F)(F)F	865711831	RNWKCTLATMRRRI-XUOSJQGZSA-N	318.122	3.100	10	20	DGCD	
CON(Cc1ccccc1)Cc1cc(F)cc(C(C)=O)c1O	183088453	GRRRNVWABFQJTL-UHFFFAOYSA-N	303.333	3.298	10	20	DGCD	
CC[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@@H](C)O	708173085	VCBRGYZCAXHVKV-RDDDGLTNSA-N	322.630	3.057	10	20	DGCD	
C[C@@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O	903238935	BSPGPFCMNIKTHI-GFCCVEGCSA-N	306.406	3.100	10	20	DGCD	
CN(Cc1ccc(Br)cn1)c1ccc2c(c1)OCO2	178882589	YKXZOCSEPSECCF-UHFFFAOYSA-N	321.174	3.209	10	20	DGCD	
C[C@H](c1nc(-c2cccnc2)no1)N(C)Cc1ccccc1O	112981661	ZQQRMFDAQMKRDK-GFCCVEGCSA-N	310.357	3.030	10	20	DGCD	
CC(C)CC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCC1	183432288	XYEHCQPAIUGCKA-CYBMUJFWSA-N	305.418	3.361	10	20	DGCD	
CC(=O)NCCCN[C@@H](C)c1ccc(N2CCCCCC2)cc1	178515149	UMGQNVWSJDWUBF-INIZCTEOSA-N	317.477	3.244	10	20	DGCD	
C[C@H](N[C@H](C)CO[C@H]1CCOC1)c1ccc2ccccc2c1O	185673511	UJURBEHJQQPTDF-YCPHGPKFSA-N	315.413	3.390	10	20	DGCD	
COc1cc(CN(C)C[C@H](C)c2nccs2)c(O)cc1C	182836073	QSWLZGCCJDRLOI-LBPRGKRZSA-N	306.431	3.401	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](OCC(C)C)C2)c1O	184702860	RGKADWCWVXHXCB-AWEZNQCLSA-N	313.825	3.301	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	90891322	UWYOEDWRGMCKHJ-AUUYWEPGSA-N	316.420	3.450	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1	246741064	OFYVKLGKVSSKBW-LPHOPBHVSA-N	314.473	3.458	10	20	DGCD	
CC[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1	268328167	MNEJWQSOZTVIGS-MSOLQXFVSA-N	316.445	3.201	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1ccsc1)c1ccc(N(C)C)cc1	268945008	BBDYZGCQNUIEBW-CXAGYDPISA-N	304.459	3.372	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1CCCOc2ccccc21	263693321	HAPMTOHLHBMHNK-OAHLLOKOSA-N	312.369	3.105	10	20	DGCD	
CCOc1ccc(N(CC)C(=O)c2ccc(C)c(O)c2O)cc1	272534485	AZHISIRFGKDRIB-UHFFFAOYSA-N	315.369	3.472	10	20	DGCD	
C[C@@H](N[C@@H]1CCCC12CCOCC2)c1cc([N+](=O)[O-])ccc1O	282702931	KZKJKWRMFXFFNF-MLGOLLRUSA-N	320.389	3.300	10	20	DGCD	
CC[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1O	286337729	YRAWWVKVDLVCAA-DZGCQCFKSA-N	309.381	3.258	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCCN1C1CCCC1	377058312	WABITVSAVDXUHU-QGZVFWFLSA-N	316.445	3.148	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cncs1	298400685	VTJKRKHIIZRSID-UHFFFAOYSA-N	303.431	3.260	10	20	DGCD	
COc1ccc(N(C)CCCc2cnccc2C)cc1OC	809639400	LYAQFFSSAYAUQV-UHFFFAOYSA-N	300.402	3.476	10	20	DGCD	
CC[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](CC)O1	817126383	ZUMOSLXRECOCGF-RYUDHWBXSA-N	324.377	3.006	10	20	DGCD	
Cc1cccn2cc(CNCc3cc(Cl)c(F)cc3O)nc12	816563369	VZTAGNSGPSQREI-UHFFFAOYSA-N	319.767	3.431	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3cnccc3C)C2)cc1	818221949	PRDQYPDLUCWLKF-MRXNPFEDSA-N	311.429	3.015	10	20	DGCD	
C[C@H](CNCc1cc(Cl)c(F)cc1O)N1CCCCC1	816536736	IKANQNSZTCIBPJ-LLVKDONJSA-N	300.805	3.149	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)COCc3cccnc3)cc12	817762578	WFXAQJRXAAKGNU-UHFFFAOYSA-N	324.380	3.312	10	20	DGCD	
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)C)c(C)c1	815059836	IBFDPUULYYSQCG-MSOLQXFVSA-N	301.478	3.120	10	20	DGCD	
COc1cc(C)cc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1O	811803399	LFKCFKGWHWYGLR-AWEZNQCLSA-N	321.808	3.006	10	20	DGCD	
COc1cc(Br)cc(CN2CC[C@@H]3C[C@H]3C2)c1O	827507094	UIJBBGPRNZTWAF-ZJUUUORDSA-N	312.207	3.005	10	20	DGCD	
N[C@@H](CC(F)F)CN1CCCc2cc(OC(F)F)ccc21	903906336	VPBYCCVWXZMONA-JTQLQIEISA-N	306.303	3.023	10	20	DGCD	
CCC[C@@H](C)C[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	900030817	JIRJOAFJJWITGL-CZUORRHYSA-N	305.418	3.381	10	20	DGCD	
Cc1cc(O)c(CN2CC[S@](=O)[C@H](C)[C@@H]2C)cc1C(C)C	736599209	PJQSLLAWTGTZQY-QTCYRWPVSA-N	309.475	3.165	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CCCC(C)(C)C)cc1	832274416	SYCJELPFVQTVSQ-INIZCTEOSA-N	305.466	3.085	10	20	DGCD	
COc1cccc(N(CC(C)C)C(=O)/C=C/c2cnn(C)c2)c1	914525693	CKCTVIVYTVBTCK-CMDGGOBGSA-N	313.401	3.131	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2nnc(C(F)(F)F)s2)c1	845486501	QHBBVGPXPOUJRY-LURJTMIESA-N	319.308	3.444	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCC[C@H](C3CC3)C2)cc1	841045808	QOHAQUJQWVHQDV-YQVWRLOYSA-N	301.478	3.311	10	20	DGCD	
CN1CC[C@@H]2CN(Cc3cc4oc5ccccc5c4cc3O)C[C@@H]21	840131902	FCDUKEZAQJXQMK-DYVFJYSZSA-N	322.408	3.428	10	20	DGCD	
CC[C@@H](NCc1ccc(CN)cc1F)c1ccc(F)cc1O	844925856	VWCLYWSBAUBYAS-MRXNPFEDSA-N	306.356	3.370	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C2CCC1CC2	840487688	HLZOZOCANCCNHV-OOHWJJMZSA-N	315.461	3.328	10	20	DGCD	
C[C@H]1CCCN(C(=N)NCc2cc(Cl)cc(Cl)c2O)C1	849078403	ZGKQXEZJENLDAL-VIFPVBQESA-N	316.232	3.455	10	20	DGCD	
COCCOC[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1O	756731973	FHTFSFZZPNDKRH-NXEZZACHSA-N	322.232	3.401	10	20	DGCD	
C[C@@H](NC[C@@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1O	756342774	LDMAQFXVIHADTD-RHSMWYFYSA-N	316.420	3.355	10	20	DGCD	
CCOc1ccc(N(C)Cc2nncn2-c2ccccc2)cc1	769728074	JIPSAJXZELUTBB-UHFFFAOYSA-N	308.385	3.302	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1CN1CCCC1)CCCC2	768447287	OBVMPQUPNCNAOJ-IBGZPJMESA-N	314.473	3.331	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2O[C@H]3C=C[C@H]2CC3)cc1	875121066	MLVBLXRDSSYOFQ-IRXDYDNUSA-N	315.417	3.077	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1O	775522677	XNLIHDSFQGZFPA-DLBZAZTESA-N	316.445	3.367	10	20	DGCD	
Cc1cccc(O)c1CNCCCC(=O)N1CCc2ccccc21	877008192	HCVOQEKVHLTENU-UHFFFAOYSA-N	324.424	3.160	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCCc2sccc2C)c1O	775049717	CGSPPWPNCOAHCU-UHFFFAOYSA-N	322.386	3.011	10	20	DGCD	
CCOc1ccc(O)c(CN(Cc2ccccc2)[C@H](C)CO)c1	1116445349	QYRMVZVAPJMSPW-OAHLLOKOSA-N	315.413	3.174	10	20	DGCD	
CC(C)c1nn(C)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773005632	CFOURZFNLFWNOU-ZDUSSCGKSA-N	314.433	3.101	10	20	DGCD	
COc1ccc(CNCCC(C)(F)F)cc1Cn1cccn1	873130039	YEBWPGGHLIVSBD-UHFFFAOYSA-N	309.360	3.075	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C3(F)CCCC3)CC2)cc1	771931936	KNZHSPMAOXHJSD-UHFFFAOYSA-N	320.408	3.016	10	20	DGCD	
O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccc(O)c1O	776645692	QMRCMSZFDLOFPE-UHFFFAOYSA-N	317.772	3.213	10	20	DGCD	
CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc(O)cs1	771417361	HWDMHZFXUASBNA-LKFCYVNXSA-N	309.362	3.099	10	20	DGCD	
CCN(CC)CCC[C@H](C)NCc1cc(C)cc(OC)c1O	894383332	GHRDJJGJBRSWOX-HNNXBMFYSA-N	308.466	3.309	10	20	DGCD	
COc1ccc2c(c1)CC[C@H](NCc1c(O)cccc1OC)C2	784623551	NXWWWDYINRFAMD-HNNXBMFYSA-N	313.397	3.057	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl	793612064	IZIKSCIWSROINQ-KGLIPLIRSA-N	316.228	3.417	10	20	DGCD	
CC[C@H]1C[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1324140011	DRKCFNHRKPRTOW-IUCAKERBSA-N	309.753	3.020	10	20	DGCD	
O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc(Cl)c1O)C2	1323451296	DZOVLVXCINGTFF-UHFFFAOYSA-N	304.733	3.470	10	20	DGCD	
C[C@@H]1CCCN(c2nnc(-c3sccc3O)n2CC2CC2)C1	1518342447	AURCVPOOUVWVFL-LLVKDONJSA-N	318.446	3.359	10	20	DGCD	
COc1ccc(CNCc2ccc(Cl)c(C(=O)O)n2)cc1C	1607260211	BGRJTWRCFATUHM-UHFFFAOYSA-N	320.776	3.040	10	20	DGCD	
CC(C)c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1	438658	SPVMHSLIEHEIJS-SFQUDFHCSA-N	306.365	3.271	10	20	DGCD	
CCN(CC)c1ccc(CNc2cnc3c(c2)C[C@@H](N)CC3)cc1	1577699652	PZOPZKAUQHDZKZ-KRWDZBQOSA-N	324.472	3.356	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H](c3ccccc3C(=O)O)C2)cc1	1777039438	MYIKITVOKVOUPO-MRXNPFEDSA-N	324.424	3.440	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H](CC(=O)O)C2(C)C)cc1	1776855500	FQGYJRBOSQSHQM-OAHLLOKOSA-N	304.434	3.218	10	20	DGCD	
COCCN(Cc1ccccc1)Cc1cccc(OC)c1O	160448202	ABVXDRFWXHTTPF-UHFFFAOYSA-N	301.386	3.049	10	20	DGCD	
CC[C@H](OC1CCCCC1)C(=O)NCCc1ccc(N)cc1	152547160	WTIYJZVSBJARAE-KRWDZBQOSA-N	304.434	3.055	10	20	DGCD	
Cn1cnc(-c2cccc(NCc3cc(Cl)ccc3O)c2)n1	153521094	RSMXEQWVLUQQFE-UHFFFAOYSA-N	314.776	3.453	10	20	DGCD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1ccccc1O	156081840	HEFNRZYTFTXUHX-UHFFFAOYSA-N	315.329	3.273	10	20	DGCD	
C[C@H]1C[C@H](CNCc2c(O)cccc2Br)CCO1	706809593	GHXCIRFKJLWSKL-WDEREUQCSA-N	314.223	3.059	10	20	DGCD	
COc1cc(CNCc2cc(Cl)cc(Cl)c2O)sn1	399102352	HZHWFXBITIIWIF-UHFFFAOYSA-N	319.213	3.454	10	20	DGCD	
C[C@H](Sc1nccs1)C(=O)N[C@H]1CCOc2ccccc21	52914371	PXWNBJAOZXASSZ-JQWIXIFHSA-N	320.439	3.264	10	20	DGCD	
CCc1nc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc2o1	177673687	PEVZPPVBUHWBSE-UHFFFAOYSA-N	312.325	3.362	10	20	DGCD	
CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O	78368515	VXGCCAXHYQHVRB-UKRRQHHQSA-N	308.447	3.256	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@@H](C)c1cc2c(cc1O)CCCC2	186354202	FKEYMZJHMPFOKU-ZDUSSCGKSA-N	318.461	3.084	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2ccc3c(c2)OCO3)c1	184896812	DBFVMEOOQMCXOW-LBPRGKRZSA-N	315.369	3.023	10	20	DGCD	
COCc1nc(C)cc(NCc2c(O)ccc3c2CCCC3)n1	75055102	SWARNBGEFCMLPT-UHFFFAOYSA-N	313.401	3.128	10	20	DGCD	
Cc1[nH]c2ccccc2c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186376419	SNEHZPFMERWQTH-LLVKDONJSA-N	324.380	3.249	10	20	DGCD	
Cn1c(CCCNCc2ccc3c(c2)CCO3)nc2ccccc21	76900961	VVSZZENRHFQOHF-UHFFFAOYSA-N	321.424	3.231	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2nc(C)c(C)s2)c1	185797528	RATOBWBQCXXQAO-NSHDSACASA-N	306.431	3.367	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN[C@@H]1CCO[C@H]1C1CC1	318428985	NSMVZTDDFRQNTC-MOPGFXCFSA-N	300.446	3.334	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1C[C@H]2CC[C@H]1C2	245747593	SVJZMSYVKSULNK-LFENVDLLSA-N	301.386	3.052	10	20	DGCD	
C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccc(F)cc1	269205901	NDJBNQIUZGOSJI-LBPRGKRZSA-N	317.360	3.089	10	20	DGCD	
Cc1ccncc1CNC(=O)NCc1c(C)c2ccccc2n1C	454881436	YMKXAVNJYHDUMD-UHFFFAOYSA-N	322.412	3.190	10	20	DGCD	
COc1cccc(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)c1O	289431293	KSQBAICHYWFMKX-ZDUSSCGKSA-N	308.381	3.139	10	20	DGCD	
CN1CCCc2cc(CNCc3c(F)ccc(O)c3F)ccc21	294440006	XTJHROAUUHNDOZ-UHFFFAOYSA-N	318.367	3.343	10	20	DGCD	
Cc1cc(O)c(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1C	293702113	RQDGCCAYOUMPTM-SFHVURJKSA-N	301.430	3.400	10	20	DGCD	
CN(CCNCc1cc(Cl)c(F)cc1O)C1CCCC1	816548147	WVMOUCHRHOKSSE-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
CC(C)C[C@@H](CNCc1cc(Cl)c(F)cc1O)C(=O)O	818629923	CWZALSLXQNEVPG-JTQLQIEISA-N	303.761	3.021	10	20	DGCD	
C[C@@H](NCCc1ccc(N)cc1)c1ccc(Br)nc1	817956971	GRMNKZZSWVGUQK-LLVKDONJSA-N	320.234	3.320	10	20	DGCD	
Cc1noc(C)c1[C@H](C)CC(=O)N[C@H](C)c1ccccc1O	827940703	IDUGTBSOADJPEN-GHMZBOCLSA-N	302.374	3.368	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1	739625678	QZPWJBZKHRRJDG-IBSXUBTNSA-N	302.330	3.071	10	20	DGCD	
COC1(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1	836405248	ATXXGGPARVYHNA-CQSZACIVSA-N	319.449	3.072	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)C[C@@H]4CCOC4)ccc31)CCCC2	843020268	DLPDUYQRXISFHE-ZDUSSCGKSA-N	313.397	3.389	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)CCn1cccn1	840892675	BYEPPPFKAOFBDT-IRXDYDNUSA-N	314.477	3.257	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N2CCOCC2)cc1	840818048	GIEFTOGEIWLNRF-QNDJGXFYSA-N	300.446	3.362	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)N2CCCC[C@H]2C)cc1	746664380	ZBMPEDQNONXXSY-OAHLLOKOSA-N	304.434	3.313	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O	841765677	UXQSCQWHNJHJNM-YPMHNXCESA-N	318.795	3.426	10	20	DGCD	
CCCSCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	917094444	AFNMZEBNZZSLTF-UHFFFAOYSA-N	306.475	3.387	10	20	DGCD	
CO[C@@H]1CCN(Cc2c(O)ccc3ccncc23)CC1(C)C	840123060	GKSZTGLFMPOUCF-QGZVFWFLSA-N	300.402	3.187	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)Cc2cccc(OC)n2)c1	845972504	QZQXSKOGOXFJRD-STQMWFEESA-N	316.401	3.086	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(CNC)CC2)cc1F	843049670	QWWWEQVRVMRWPH-UHFFFAOYSA-N	307.457	3.103	10	20	DGCD	
COc1cccc([C@H](C)NCc2nc3ccc(C)cc3[nH]2)c1O	846149414	ZABPAJKOMKUCNV-LBPRGKRZSA-N	311.385	3.436	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@@H]3CNC[C@@H]3C2)cc1F	843341231	SOVPXAWLERQCBI-IXDOHACOSA-N	319.468	3.150	10	20	DGCD	
CC(C)[C@@H](O)C(C)(C)CN[C@@H](C)c1cc(F)cc(F)c1O	756768979	CGQRPFFYBUEEQF-ZUZCIYMTSA-N	301.377	3.364	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CC[C@H]3C3CCC3)cc2)CC1	850568470	YGSULQQUESMBKE-VQTJNVASSA-N	314.473	3.316	10	20	DGCD	
CC(C)CNC(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1	855084715	BRLUIJKFJPEFFW-UHFFFAOYSA-N	318.398	3.092	10	20	DGCD	
CN1CCc2cc(/C=C3/SC(=S)N(C4CC4)C3=O)ccc21	751527506	WNIUZXOFTDYLHB-NTEUORMPSA-N	316.451	3.043	10	20	DGCD	
C[C@H](NCc1nc2cc(F)ccc2n1C)c1ccc(F)cc1O	756733668	RSGUKANVUXRQPP-JTQLQIEISA-N	317.339	3.408	10	20	DGCD	
COc1ccccc1C1(C(=O)NCc2cc(C)ccc2O)CC1	862758954	RDPYOVRPXNBBOF-UHFFFAOYSA-N	311.381	3.057	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1C	769452471	SMPJEMMACPHEDV-HUUCEWRRSA-N	306.425	3.140	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2nc(C(C)C)ncc2Cl)c1	862758976	RWBDOENPAZBVGZ-UHFFFAOYSA-N	319.792	3.197	10	20	DGCD	
COc1cccc(O)c1CN(C)Cc1c(C)nc2sccn12	769306602	AOHIPKCCQLFOLE-UHFFFAOYSA-N	317.414	3.050	10	20	DGCD	
CCCn1cc(CN(Cc2ccccc2O)C2CCCC2)nn1	876722416	UJEXCUGCMOYDIG-UHFFFAOYSA-N	314.433	3.339	10	20	DGCD	
CC(C)C[C@@H](CCO)CNCc1cc(F)c(N(C)C)cc1F	1118798662	GFQLRKAXQBRZPJ-CYBMUJFWSA-N	314.420	3.165	10	20	DGCD	
CCCCc1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1	775834068	OZGDNIBGGAHSDQ-CYBMUJFWSA-N	302.422	3.329	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@H]3C=C[C@H]2C3)cc1F	883363651	JUUHCCHXRIFXDO-GJZGRUSLSA-N	317.408	3.142	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)C[C@@H]1CCCC[C@@H]1O	779154987	XVRDFQAPQLYSJS-HZMBPMFUSA-N	301.789	3.168	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H](O)c1ccc(F)cc1)c1c(O)cccc1F	886527922	CKVZNDYHOKNKRC-WVQJBOLRSA-N	307.340	3.443	10	20	DGCD	
Nc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1	217313681	WOFKHOLAKZNSPX-UHFFFAOYSA-N	324.428	3.055	10	20	DGCD	
Cc1nccn1CCN[C@H](C)c1cccc(C(F)(F)F)c1O	788584416	OYHKKGIQKJIEMS-SNVBAGLBSA-N	313.323	3.267	10	20	DGCD	
COc1ccc(CNC[C@@H](SC)C(C)(C)C)c(O)c1OC	893517714	BPJDYOPGCKZARL-CYBMUJFWSA-N	313.463	3.277	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](C)Cc2ccc(C)cc2)c(O)c1	794387426	HUBLXQVUAFEFFZ-CQSZACIVSA-N	313.397	3.204	10	20	DGCD	
CCC(CC)[C@@H](O)CNCc1c(O)cccc1Br	706830325	PYBCLKMROBSBJL-AWEZNQCLSA-N	316.239	3.041	10	20	DGCD	
OC[C@@H](CNCc1cc(Cl)cc(F)c1O)CC1CCCC1	798961388	YXIIJHSYACVMGT-GFCCVEGCSA-N	315.816	3.463	10	20	DGCD	
CCc1ccc([C@@H](O)CN[C@H](C)c2ccc(F)cc2O)cc1	797020625	WEKIMLZBYKITKQ-XIKOKIGWSA-N	303.377	3.478	10	20	DGCD	
C/C=C(\C)C(=O)N1C[C@H](NCc2ccc(OC)c(C)c2)C[C@H]1C	988512188	LMVGFRPNUYMBIO-GTUVBKISSA-N	316.445	3.049	10	20	DGCD	
O[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(N2CCCC2)cc1	1329937642	ANAWNHHENSVCBN-PMACEKPBSA-N	308.425	3.035	10	20	DGCD	
Cc1cnn(CCCCCSc2ncc(C(=O)O)s2)c1	1607916669	SSCOVFSTSFYWHX-UHFFFAOYSA-N	311.432	3.309	10	20	DGCD	
COC1CCC(CCN[C@@H](C)c2cc(C(=O)O)ccc2O)CC1	1610234700	QJYZUJMVYSNHBO-OPFPJEHXSA-N	321.417	3.336	10	20	DGCD	
CN(Cc1ccccc1O)[C@H](C(=O)O)c1ccc(Cl)cc1	1598530811	TYZSHGMBVCMZRB-HNNXBMFYSA-N	305.761	3.303	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](CCC(C)C)C(=O)O)ccc21	1776875542	CEUHGYXGOOHNTD-KRWDZBQOSA-N	318.461	3.438	10	20	DGCD	
CCN1CCc2cc(CN[C@]3(C(=O)O)CCC[C@H](C)C3)ccc21	1776877429	HBGQJENEPDZUOW-IFXJQAMLSA-N	316.445	3.192	10	20	DGCD	
COCCOc1ccc(NCc2cccc(Cl)c2O)cn1	158139720	XOKCZQOZAJQZEH-UHFFFAOYSA-N	308.765	3.078	10	20	DGCD	
CCc1cnc(CN(C)Cc2cc(OC)c(C)cc2O)s1	160349125	YZBWUAKXIRYJED-UHFFFAOYSA-N	306.431	3.360	10	20	DGCD	
CC[C@H](NCc1nncn1-c1ccccc1)c1ccccc1O	155102887	JLCXVPQHMWCGAZ-INIZCTEOSA-N	308.385	3.214	10	20	DGCD	
COc1ccc(N2CCC(NC3Cc4ccccc4C3)CC2)cc1	157419230	UJWFIKWAKPAJBL-UHFFFAOYSA-N	322.452	3.421	10	20	DGCD	
CS(=O)(=O)c1cccc(NCc2c(O)cccc2Cl)c1	127303637	XDNOLUFQYWXFPH-UHFFFAOYSA-N	311.790	3.061	10	20	DGCD	
CC[C@@H](NCCn1cc(Br)cn1)c1ccccc1O	311826369	RGAXIKVZWLSYIK-CYBMUJFWSA-N	324.222	3.092	10	20	DGCD	
Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(O)c2O)s1	179510010	GLEGLLXZDBYIHP-SNVBAGLBSA-N	305.399	3.137	10	20	DGCD	
Cc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(O)c2O)s1	179510003	GLEGLLXZDBYIHP-JTQLQIEISA-N	305.399	3.137	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1O	170795995	IYLYELFBNIEJRN-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
Cc1nc(C)c(CN2CCOc3cc(N(C)C)ccc32)s1	179272004	OEIGDUBGNRPQIX-UHFFFAOYSA-N	303.431	3.225	10	20	DGCD	
Cc1cc(C(=O)NCC[C@H](C)N)c(C)n1-c1cccc(Cl)c1	178689324	OOBWCBXFEQQWBB-NSHDSACASA-N	319.836	3.215	10	20	DGCD	
CCOc1ccc(CCC(=O)N(C)Cc2ccccc2O)cc1	65645295	ZMUXMMJKXZGRMH-UHFFFAOYSA-N	313.397	3.382	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)ccc(F)c1F	124855147	DHSJKYMUYPOXPH-UHFFFAOYSA-N	322.330	3.408	10	20	DGCD	
C[C@@H](NCC(C)(C)CCO)c1cc(Br)ccc1O	185608496	TVKHUVLDERSZQN-SNVBAGLBSA-N	316.239	3.214	10	20	DGCD	
Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(O)c1O)CCC2	188472671	OVIUYTNLNMECJG-GFCCVEGCSA-N	318.398	3.012	10	20	DGCD	
C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC(C)(C)C	185217960	DJHKBUPALAPOAE-STQMWFEESA-N	318.461	3.225	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)c2cccc(C)c2)c1	186124565	HBSVMDZRPLKPAU-UGSOOPFHSA-N	301.386	3.093	10	20	DGCD	
CCOCCN[C@H](C)c1cc(Br)cc(C)c1O	187020308	GACSCDKJRLZTNF-SNVBAGLBSA-N	302.212	3.150	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)c(F)cc1F	130656323	QXIPCUQAWONYHY-UHFFFAOYSA-N	322.330	3.408	10	20	DGCD	
Cc1c(/C=C/C(=O)N(CC(F)F)c2ccc(F)cc2)cnn1C	193870555	YYQMJQYOWWUOSF-FPYGCLRLSA-N	323.318	3.179	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](C)C2)cc1	195564986	XRDZYKJJVANCLG-OAHLLOKOSA-N	303.450	3.474	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1	237914937	BVUVTLQCHDKWFA-HXUWFJFHSA-N	317.392	3.112	10	20	DGCD	
CCOc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1O	92729054	MCBWGNWFDCXFMX-CQSZACIVSA-N	301.390	3.241	10	20	DGCD	
CN(C)c1ccc(CNCc2nnc(C(C)(C)C)s2)cc1F	268150062	AWXWYFWCNGHTHC-UHFFFAOYSA-N	322.453	3.331	10	20	DGCD	
CCOc1cccc(CNCc2cn3cc(C)ccc3n2)c1O	264373751	MQIFEZXKNYJHGN-UHFFFAOYSA-N	311.385	3.037	10	20	DGCD	
CS[C@@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	269957337	ZPIDOTANBDWYLU-ZDUSSCGKSA-N	321.490	3.178	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2c(C)c3ccccc3n2C)[C@H]1SC	459506325	PQSHFBGKJMHIOC-BMGDILEWSA-N	318.486	3.485	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1	271302101	UMKXDXHEYUTGEC-NVXWUHKLSA-N	301.386	3.382	10	20	DGCD	
C[C@H](N[C@H](C)[C@H]1CCOC1)c1ccc(Br)cc1O	273604569	SUQBKEJURMUDLZ-VWYCJHECSA-N	314.223	3.230	10	20	DGCD	
Nc1ccc(CC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1	286071780	MIBJFHPOMUASRY-GOSISDBHSA-N	309.413	3.350	10	20	DGCD	
C[C@@H](NCC1([S@](C)=O)CCC1)c1ccc2ccccc2c1O	280884224	BAYHGTWHYJYDGC-DMZKTXOQSA-N	317.454	3.497	10	20	DGCD	
CCc1nnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)o1	298722837	PKSQHHZYHJTUTB-UHFFFAOYSA-N	302.422	3.109	10	20	DGCD	
C[C@H]1C[C@H](N2CCCC2)CN1Cc1c(O)ccc(Cl)c1F	809703678	OIFZJOHYJQCPCE-RYUDHWBXSA-N	312.816	3.243	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)NCc1ccc(N(C)C)cc1	295205978	ZIFAVSSISWLICQ-ZDUSSCGKSA-N	304.356	3.200	10	20	DGCD	
Cc1ccc(O)c(CN2C[C@@H](C)C(=O)N(C)c3ccccc32)c1	809786373	ZKNISKPLQYDDNM-CQSZACIVSA-N	310.397	3.320	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC(CCCn2ccnc2)CC1	809749336	MRSFUDXGXWDODN-UHFFFAOYSA-N	317.408	3.420	10	20	DGCD	
CC[C@H](NCc1cnn(CCOC)c1)c1cc(Cl)ccc1O	800495084	KNYNZWQARZDWTC-HNNXBMFYSA-N	323.824	3.129	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2CCc3ccccc3OC2)c1	800889177	KKMRLKYQPIZLSM-MRXNPFEDSA-N	313.397	3.274	10	20	DGCD	
Cc1cccc2c1CC[C@H]2NC[C@@H](N)c1ccc(N(C)C)cc1	817938384	JQZDRKURRBBHRH-WOJBJXKFSA-N	309.457	3.338	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1O	817948875	FDHANRQFOUPTRQ-MNOVXSKESA-N	302.340	3.204	10	20	DGCD	
COCC1(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)CCOCC1	813875660	QRYJIAHRYGJOGJ-GXTWGEPZSA-N	323.408	3.112	10	20	DGCD	
CCOc1ccc(CNCCCCCN2CCCC2)c(O)c1	815151409	NYIYSCXMUZQMGW-UHFFFAOYSA-N	306.450	3.147	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NC[C@@H](N)C(C)C)c1O	817958766	MHATWOARCQPWCF-GXFFZTMASA-N	315.255	3.097	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](C(=O)O)C1	829496556	IPKMVEYXNHXWBM-KBPBESRZSA-N	319.401	3.022	10	20	DGCD	
Cc1cc(C)cc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	831924712	LTKDWSWFOLRUIB-CQSZACIVSA-N	313.397	3.005	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N=S(C)(C)=O)c1C	913646863	REPBMHFLGLOJDP-UHFFFAOYSA-N	304.415	3.270	10	20	DGCD	
C[C@@H](NCCC(=O)Nc1ccccn1)c1ccc(Cl)cc1O	841746382	FRNVRSLZPBFVIN-LLVKDONJSA-N	319.792	3.120	10	20	DGCD	
Cn1nc(C(F)(F)F)c(CNc2ccc(N)cc2)c1Cl	841040722	YEMCIEAIQYPDEK-UHFFFAOYSA-N	304.703	3.287	10	20	DGCD	
C[C@@H]1CC(NC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)C1	740023193	OCWPJUHXIBNRRF-KBPBESRZSA-N	303.450	3.377	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)COCC3CC3)CC2)cc1	846072317	FRTCGMDMIMEZDW-OAHLLOKOSA-N	318.461	3.069	10	20	DGCD	
COCC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccco1	846166496	XWJFIUSIAHFIQQ-TZMCWYRMSA-N	305.374	3.422	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)Nc1cnc(C2CC2)nc1	844532443	SWKDIKLVIVNPSJ-UHFFFAOYSA-N	318.764	3.035	10	20	DGCD	
CCc1cccc(CNCc2nc(C)c3ccccc3n2)c1O	848894263	HNSWONHOWWFNJG-UHFFFAOYSA-N	307.397	3.496	10	20	DGCD	
CCC(CC)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1	1018542140	QEIQZESYBZMJAO-KRWDZBQOSA-N	318.461	3.130	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1	840872325	KNKZXJBVEMUSHJ-PMPSAXMXSA-N	318.461	3.067	10	20	DGCD	
C[C@@H](NCCCNc1ccccn1)c1cc(F)cc(F)c1O	756642642	PEQQPAPJWLVZLU-LLVKDONJSA-N	307.344	3.218	10	20	DGCD	
CNC(=O)CC1(CN[C@@H](C)c2cc(F)ccc2O)CCCCC1	850557035	VDCSGRWRUKDWDD-ZDUSSCGKSA-N	322.424	3.269	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@H](C)CC(F)(F)F)c1	858540645	KNYQOWKJAFRAJQ-SNVBAGLBSA-N	304.312	3.088	10	20	DGCD	
COc1cc(CN[C@H](C)CCCCO)c(O)c(C(C)(C)C)c1	850314465	USDNFSDMRGAJCY-CYBMUJFWSA-N	309.450	3.339	10	20	DGCD	
CCCCCNC(=O)NCc1cccc(Br)c1O	764756406	COSBAJUFMMHXEV-UHFFFAOYSA-N	315.211	3.144	10	20	DGCD	
CC(C)CO[C@H](C)c1noc(CN(C)c2ccc(N)cc2)n1	863558676	SKELTIJVBIGOCP-GFCCVEGCSA-N	304.394	3.022	10	20	DGCD	
C[C@H](NC(=O)c1cccc2c1CCOC2)c1ccc(N(C)C)cc1	935465860	UTBKYOALCNKJKE-AWEZNQCLSA-N	324.424	3.316	10	20	DGCD	
CN(C)[C@H]1CCCC[C@@H]1NCc1ccc(N2CCCC2)cc1	1116032461	JSZVZRUJCKWTJO-OALUTQOASA-N	301.478	3.249	10	20	DGCD	
Cc1ncc([C@H](C)NC(=O)N(C)Cc2ccccc2O)s1	876014569	KZIKQUHTTCHTHC-JTQLQIEISA-N	305.403	3.060	10	20	DGCD	
CCCCN(Cc1ccccc1O)C[C@H](OC)C1CCOCC1	877503161	DBGBBLBVSPJUBF-IBGZPJMESA-N	321.461	3.436	10	20	DGCD	
CCS(=O)(=O)Nc1ccc(NCc2ccc(C)cc2O)cc1	876844326	ZHYOKBOYONWWPK-UHFFFAOYSA-N	320.414	3.074	10	20	DGCD	
CCC(=O)N1CC[C@H](N[C@@H](CC)c2cc(Cl)ccc2O)C1	775513117	GGHNFVAXLKWBAY-JSGCOSHPSA-N	310.825	3.097	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](C)C3(CCC3)C2)c1O	775056790	MKLFGMXUAFOVNO-LBPRGKRZSA-N	320.389	3.321	10	20	DGCD	
CC[C@H]1[C@@H](C)CCN1Cc1ccc(N2CCN(C)CC2)cc1	775998177	DSLQLOWRMGPSCY-LPHOPBHVSA-N	301.478	3.059	10	20	DGCD	
CCCCN(CCCO)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776243973	DGVMQYJIMDBEEA-OAHLLOKOSA-N	321.465	3.008	10	20	DGCD	
C[C@H](NC(=O)CN(C)c1ccccc1)c1ccc(N(C)C)cc1	775407396	UDPBIIJKMNHNOI-HNNXBMFYSA-N	311.429	3.066	10	20	DGCD	
Cc1ccc(CCCn2cc(COc3ccc(N)cc3)nn2)cc1	881346551	VKQVNJQZULWPBW-UHFFFAOYSA-N	322.412	3.381	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCc1cccc2c1OCCCO2	883051202	QWECMVNPNIJTFT-UHFFFAOYSA-N	321.323	3.122	10	20	DGCD	
COc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1	76275492	WOBYZYSUOYWFEE-UHFFFAOYSA-N	312.413	3.268	10	20	DGCD	
COc1ccc(CN[C@H](c2ccncc2)C2CC2)c(O)c1OC	898317442	ITEHUPLFQUQBGA-INIZCTEOSA-N	314.385	3.045	10	20	DGCD	
CC(C)CN(Cc1cnn(C)c1)Cc1cc(F)cc(F)c1O	894969404	CYWNOTLZWJPXES-UHFFFAOYSA-N	309.360	3.062	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCCOC2)cc1	792880679	AWYIFOIFEWPTDY-KRWDZBQOSA-N	318.461	3.308	10	20	DGCD	
COC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1OC	794969168	GRAUGZINAMEFBR-UHFFFAOYSA-N	321.760	3.453	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@@](C)(O)C(F)(F)F)cc1	799106393	FRMLPAJSKUVEOG-OAHLLOKOSA-N	318.383	3.278	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1320422151	BPIVKUYZBMAGMG-CRAIPNDOSA-N	319.468	3.198	10	20	DGCD	
CO[C@@H](CNCc1cc(F)c(N(C)C)cc1F)C(C)(C)C	1261787036	BAOXXOFDUNMIJW-HNNXBMFYSA-N	300.393	3.182	10	20	DGCD	
CCCCC[C@@H](C)NC(=O)CSc1ncc(C(=O)O)s1	1595665985	AOXGXSCULAHYOJ-SECBINFHSA-N	316.448	3.018	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2[nH]cnc12	159199534	XZHIPIRJIZKFQK-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
C[C@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1O	903238949	CDYCWWUSRCEWIU-NSHDSACASA-N	324.396	3.239	10	20	DGCD	
Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3O)[nH]n2)cc1	119977178	RRHMIHWWOOWYRC-UHFFFAOYSA-N	321.380	3.363	10	20	DGCD	
OCC1(CNCc2ccc(N3CCCCC3)cc2)CCCC1	178875008	UQLDZFGDNZHFAS-UHFFFAOYSA-N	302.462	3.319	10	20	DGCD	
C[C@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)c2ccccc21	107047181	QQMNJQOQGXNQLQ-LBPRGKRZSA-N	304.353	3.236	10	20	DGCD	
COc1ccccc1NC[C@H](O)COc1cc(C)cc(C)c1	32186316	RPARUBIRABZBTB-HNNXBMFYSA-N	301.386	3.164	10	20	DGCD	
CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCC1	125342004	AYKMIMHGHGRYCE-UHFFFAOYSA-N	307.413	3.366	10	20	DGCD	
CC(C)(C)Oc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1	182545977	MRVLCHDGTNUTPX-UHFFFAOYSA-N	315.369	3.205	10	20	DGCD	
C[C@@H]1CC[C@@H](CCC(=O)NCc2c(O)ccc3c2CCCC3)O1	75159606	QCICMDZXTBELEE-HIFRSBDPSA-N	317.429	3.235	10	20	DGCD	
CCN(CC)c1ccc(NC(=O)c2cccc(O)c2O)cc1	184773062	BWZWXWDAMYBZEL-UHFFFAOYSA-N	300.358	3.196	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@](C)(CO)C2CCCCC2)c1O	79763196	PKKCBGUKVRKSFG-GOSISDBHSA-N	323.408	3.155	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2nncn2-c2ccccc2)c1	184999707	POZGMVIISKZGPB-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(C)c(O)c1O	182483384	VVYUTPAABSZDLD-CQSZACIVSA-N	300.358	3.025	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2cc(F)c(F)cc2F)cc1	132761360	ZQIIXOAPFLLVPI-UHFFFAOYSA-N	322.330	3.029	10	20	DGCD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1O	133792958	QZVKHVPRVMCJDO-LLVKDONJSA-N	305.761	3.129	10	20	DGCD	
C[C@H](NC1CCC2(CC1)OCCO2)c1ccc(F)c(F)c1O	191207295	KTSFJNNZVJLPOC-JTQLQIEISA-N	313.344	3.007	10	20	DGCD	
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2O)C1	193100914	QRRKOBZETMEZLI-NHYWBVRUSA-N	315.344	3.460	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2Cc3ccccc3O2)cc1	193747111	ZJBSIZZGWPCURU-LJQANCHMSA-N	324.424	3.153	10	20	DGCD	
COc1ccc(N(C)Cc2noc3c2CCCC3)c(OC)c1	132243947	XRNPIUPZWFHNNR-UHFFFAOYSA-N	302.374	3.207	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](N3CCCC3)C2)cc1	92757360	VKTZLTMSJKFQQL-IBGZPJMESA-N	301.478	3.203	10	20	DGCD	
Nc1ccc(CC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1	237904515	VPCJXLBTOSMEKU-XLIONFOSSA-N	324.424	3.095	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1	92762414	SJWPDECKWYPLGR-HUUCEWRRSA-N	306.425	3.283	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1	269029839	RXXPZEXEFPNKIJ-RVKKMQEKSA-N	322.518	3.440	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC12CCCC2	276634566	OBNNLSLYQCDLAC-GOSISDBHSA-N	300.446	3.336	10	20	DGCD	
OC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1	293906646	FTOQMUBUZWASIP-GOSISDBHSA-N	302.462	3.271	10	20	DGCD	
CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H](CC)O1	398443518	PVVYLNYPHWBXCQ-GJZGRUSLSA-N	309.381	3.123	10	20	DGCD	
CC[C@@H](NCc1ccnc(N(C)C)n1)c1cccc(Cl)c1O	806150260	OMHJJJYEJCHRBC-CQSZACIVSA-N	320.824	3.143	10	20	DGCD	
CCCC[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC	816569735	VDWXJDVMFBJWDI-LBPRGKRZSA-N	303.761	3.006	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCNCC[C@@H]2C)cc1F	817903190	JOEXHFAMTHSZCH-WMLDXEAASA-N	307.457	3.150	10	20	DGCD	
CC(C)[C@]1(CO)CCCN(Cc2ccc(N(C)C)c(F)c2)C1	816662543	RJDQBQIOMSRVKJ-GOSISDBHSA-N	308.441	3.122	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)c3cccc(C)c3)CC2)cc1	726562653	RVHCXXJMYMAORY-UHFFFAOYSA-N	324.424	3.402	10	20	DGCD	
C[C@H](NCc1cc(N(C)C)ccn1)c1cc(Cl)ccc1O	903199086	SVZPOVNEODYEKT-NSHDSACASA-N	305.809	3.357	10	20	DGCD	
CCOCc1cc(CN[C@H]2C[C@@H](C)n3ccnc32)ccc1OC	825016714	GOADLZWJXKLTIU-CJNGLKHVSA-N	315.417	3.224	10	20	DGCD	
C[C@@H](NC(=O)C[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1O	828535107	OQYLIPIJXGPYDO-CHWSQXEVSA-N	324.380	3.086	10	20	DGCD	
COc1cccc(CN2CC[C@@H](N(C)c3ccccc3)C2)c1O	827545219	WXWAIWHFIKXIDK-QGZVFWFLSA-N	312.413	3.112	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCCC(=O)c1ccccc1	901055863	SQAXOUUEHXHNOR-UHFFFAOYSA-N	311.381	3.404	10	20	DGCD	
CN(CCCCNCc1c(O)ccc(Cl)c1F)C1CC1	835062168	ABWKCTCUCKERPA-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1C[C@H]2CC[C@H]1C2	748810197	SCNASINLLMUZLC-FHWLQOOXSA-N	314.473	3.391	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)[C@](C)(OC)C2CC2)c1	840860507	NYYNPTMJLDNRMS-IUUKEHGRSA-N	321.417	3.033	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2nc3c(s2)CCC3)cc1	915319969	BTKGTOPNRQPCAF-UHFFFAOYSA-N	316.430	3.020	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C)c1O	846159913	NPJVSAGMACCBRU-SWLSCSKDSA-N	323.433	3.418	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H]2CCCN(CC(C)C)C2)c1O	846155977	JLEDUOVQPXTYOO-HOTGVXAUSA-N	320.477	3.419	10	20	DGCD	
Cc1ccc(C2(C(=O)NCCc3ccc(N)cc3)CCC2)cc1	843342101	IYNCEABNCILQOT-UHFFFAOYSA-N	308.425	3.358	10	20	DGCD	
NC[C@@H](NCc1cc(Cl)cc(F)c1O)C1CCCCC1	841039497	RMEXRPXKRAGLER-CQSZACIVSA-N	300.805	3.182	10	20	DGCD	
CCC1(O)CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756674952	DZUJNVXWHLNVHN-OPGSHWCFSA-N	308.378	3.035	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H]2CCCN(CC3CC3)C2)cc1C	853093058	AONGTRMGSCMCSO-KRWDZBQOSA-N	302.462	3.221	10	20	DGCD	
COc1cc(CN[C@@H]2CCC[C@H]2OC)c(O)c(C(C)(C)C)c1	850315689	JDODTCBJKXGNDT-HZPDHXFCSA-N	307.434	3.355	10	20	DGCD	
COC[C@H](C)CN[C@H](C)c1cc(Br)c(F)cc1O	756464877	IATSZCWWORVZES-RKDXNWHRSA-N	320.202	3.227	10	20	DGCD	
c1cc([C@@H]2C[C@@H](NCc3ccc4c(c3)CCCO4)CCO2)ccn1	922164647	WWMYTSWHEWBRSQ-ICSRJNTNSA-N	324.424	3.417	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)o1	756603430	BPDNXAOWSRYLME-LJWDBELGSA-N	305.349	3.304	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2nc(C)cs2)c1	858182502	WEHBJTHZWUTRHY-LLVKDONJSA-N	305.403	3.026	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)NCc1cc(F)c(N(C)C)cc1F	858136985	BXZDJFJKAXADMP-SECBINFHSA-N	309.360	3.486	10	20	DGCD	
CC[C@@H](CCO)N[C@@H](C)c1cc(Br)c(F)cc1O	756602260	DMEBNROQVBKATI-IUCAKERBSA-N	320.202	3.105	10	20	DGCD	
CCCc1nc(C)c(C(=O)C(=O)CC(C)(C)CC(=O)OCC)o1	935945842	MQWQJSJBLNJYMV-UHFFFAOYSA-N	323.389	3.057	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1C1CCCCC1)[C@H](O)CO2	768442516	KWXKAVIJKKJURL-SJLPKXTDSA-N	317.429	3.363	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC([C@@H]3CCCO3)CC2)cc1F	862336936	ONFDNRKKURVMRT-SFHVURJKSA-N	324.415	3.422	10	20	DGCD	
CCCOc1ccc(CNCc2cccn(CC)c2=O)cc1C	873115922	RHHGDVGIMOSPIF-UHFFFAOYSA-N	314.429	3.255	10	20	DGCD	
Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnc1C	775621998	ZSASAQUSJBKQLT-ZDUSSCGKSA-N	313.405	3.042	10	20	DGCD	
Cc1ccc(Cl)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773745647	PCCYGZNYGZTDEI-NSHDSACASA-N	319.788	3.421	10	20	DGCD	
Cc1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1	876591316	GLCDBQWPCFGVOU-GOSISDBHSA-N	301.361	3.413	10	20	DGCD	
Cc1ccc2c(c1)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)CC2	779513698	IIDSANKTKAPBRE-SGNXQUTQSA-N	309.365	3.223	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(CCC(C)C)C2CC2)c1O	774837761	RNVHZOXGIBQVSG-UHFFFAOYSA-N	308.378	3.320	10	20	DGCD	
CC[C@H](NCCCO[C@@H]1CCOC1)c1cc(Cl)ccc1O	775514160	XJSQTZSFRXVIDX-HIFRSBDPSA-N	313.825	3.282	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	776154574	AQWAGEYOGKGVHZ-KSZLIROESA-N	302.462	3.354	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCCS1	783384895	FWUQJXQYXLJIQT-MRXNPFEDSA-N	306.475	3.387	10	20	DGCD	
Cc1ccccc1C(C)(C)CNC(=O)c1c(F)ccc(O)c1O	789966890	ORSXCFFWROCCLS-UHFFFAOYSA-N	317.360	3.253	10	20	DGCD	
COc1ccc(N2CCN(CCCCOC(C)(C)C)CC2)cc1	789307361	XRRHXHTVIAODMF-UHFFFAOYSA-N	320.477	3.413	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)cc1	785767086	JOKMJARBMNSTTI-MSOLQXFVSA-N	302.462	3.391	10	20	DGCD	
CC[C@H](NC[C@]1(N(C)C)CCSC1)c1ccc(F)cc1O	796790819	WABREGQLBSQYHV-GOEBONIOSA-N	312.454	3.009	10	20	DGCD	
CCCc1cnc(NC(=O)NCc2ccc(OC)cc2O)s1	797640142	IXQAPXPRJVUDFB-UHFFFAOYSA-N	321.402	3.132	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@@H]2CCCC[C@@H]2C)cc1C	1133058316	WNCLVRSSLNKRFD-WMLDXEAASA-N	318.461	3.036	10	20	DGCD	
CCCC(C)(C)C(=O)NCCNCc1ccc(OC)c(C)c1	1133176407	XUQLKCBBLHTDNP-UHFFFAOYSA-N	306.450	3.036	10	20	DGCD	
CCCN(CCCN(C)C)Cc1ccc(N2CCCC2)cc1	1204328309	GRYHNDQUJVSPRV-UHFFFAOYSA-N	303.494	3.451	10	20	DGCD	
CC(C)CNC(=O)CN[C@@H](C)c1cc(Cl)c(Cl)cc1O	1322120677	NIYYAYOKNFSYFD-VIFPVBQESA-N	319.232	3.122	10	20	DGCD	
O=C(NCc1cccc(O)c1O)C1(Cc2ccccc2)CCC1	1349078674	JCIPWKNVGIJNJK-UHFFFAOYSA-N	311.381	3.127	10	20	DGCD	
O=C(O)C1=CC[C@@H](NCc2cc(-c3ccccc3)ccc2O)C1	1608585861	FYPBEALXFJNWQR-QGZVFWFLSA-N	309.365	3.322	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)NCc1cc(Cl)ccc1O	227687556	NWYSCQHVPWGZOG-JTQLQIEISA-N	314.813	3.048	10	20	DGCD	
Nc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)cc1	1580443618	SWUIMDCYTUCILU-OLZOCXBDSA-N	320.314	3.106	10	20	DGCD	
C[C@H](NC[C@@H](C)Oc1ccccc1)c1cc(C(=O)O)ccc1O	1592704997	BZNJGBPRIOZUCO-OLZOCXBDSA-N	315.369	3.209	10	20	DGCD	
Cc1ccc2cc(CNCc3ccc(C(=O)O)cc3O)[nH]c2c1	1777442528	AWUDBQQABURREP-UHFFFAOYSA-N	310.353	3.170	10	20	DGCD	
Cc1ccc(CCCCC(=O)NCc2ccc(O)c(O)c2)cc1	158949569	SKCSZWABRCDZGI-UHFFFAOYSA-N	313.397	3.435	10	20	DGCD	
C[C@H]1C[C@H](C)CN(C(=O)NCCCSc2nccs2)C1	154593866	MBLYNGIUBGIZHA-RYUDHWBXSA-N	313.492	3.313	10	20	DGCD	
C[C@H](CCNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCO2	793602246	VUJMSKLWDQNHPK-CYBMUJFWSA-N	320.433	3.014	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNCCc2c[nH]c3ccccc23)c1	101588619	CMHOQWSCJKCSAJ-UHFFFAOYSA-N	311.341	3.114	10	20	DGCD	
CCOc1cccc(CNc2cccc(NC(C)=O)c2)c1O	20827995	JUAICTPEMLLJCG-UHFFFAOYSA-N	300.358	3.361	10	20	DGCD	
Cc1cc(CN2CC[C@@H](CN(C)C)C2)c(O)c(C(C)(C)C)c1	172507633	GNVIOZDCFLAKKQ-HNNXBMFYSA-N	304.478	3.382	10	20	DGCD	
C[C@@H](NCc1cccc(Br)c1O)c1ccccn1	42411772	YXUPCBXSCYRLKH-SNVBAGLBSA-N	307.191	3.401	10	20	DGCD	
COc1cc(NCc2ccc(N(C)C)cc2)c(F)cc1[N+](=O)[O-]	301862737	LNWVNJSOSQBYTJ-UHFFFAOYSA-N	319.336	3.421	10	20	DGCD	
Cc1ccc(Cl)cc1C(=O)NCCc1ccc(O)c(O)c1	122328742	LGXSRMZEGABTGG-UHFFFAOYSA-N	305.761	3.032	10	20	DGCD	
COc1cc(NCc2ccc(N(C)C)c(F)c2)ccc1[N+](=O)[O-]	301405262	LFNAGXWKLAUYBP-UHFFFAOYSA-N	319.336	3.421	10	20	DGCD	
CC(C)c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cc1	182547261	HUGCOMYJBIRRNA-UHFFFAOYSA-N	313.397	3.470	10	20	DGCD	
CN(CCc1ccccc1)Cc1ccc(N2CCOCC2)cc1	72981078	ZDDDCFIFUICTCJ-UHFFFAOYSA-N	310.441	3.198	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ccccc2n1	183425923	VBJNPNIVQULCCH-LBPRGKRZSA-N	322.364	3.007	10	20	DGCD	
COc1cccc([C@H]2CCCN2C(=O)c2cccc(O)c2O)c1	186835482	SXRWVMUWVQEGIY-OAHLLOKOSA-N	313.353	3.084	10	20	DGCD	
Cc1ccc(C)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	190905027	MQAJPKRVQYKQPD-CYBMUJFWSA-N	314.385	3.467	10	20	DGCD	
Cc1noc(C)c1/C=C1\SC(NC2CCCCC2)=NC1=O	192888032	MOAKAJFJJZRCHC-JYRVWZFOSA-N	305.403	3.184	10	20	DGCD	
Oc1ccccc1CN1CCO[C@H](c2ccc(F)cc2F)C1	190131363	HEEBQIBGLIZDIF-KRWDZBQOSA-N	305.324	3.244	10	20	DGCD	
CCCN1CCC(N(C)Cc2cc(OCC)ccc2O)CC1	92165825	KODYODJUFMBINU-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@H]3OCCC[C@H]3C2)c1O	246910965	VWXZSFORUWKEPP-BLLLJJGKSA-N	323.820	3.249	10	20	DGCD	
Cc1c(CNCc2cccc3nccn23)n(C)c2ccccc12	355129217	WHSYMFXPQYJOGJ-UHFFFAOYSA-N	304.397	3.424	10	20	DGCD	
CC[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccccc1O	274736612	DHTWYJNTNPULFB-RDJZCZTQSA-N	303.377	3.176	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	273502017	QGNFCWKFVCEKRI-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
C[C@@H](NC(=O)COc1ccc(N(C)C)cc1)c1cccs1	277730646	HQBLHKPJJGTADR-GFCCVEGCSA-N	304.415	3.070	10	20	DGCD	
CCOc1ccc(CN[C@H](C)[C@@H](O)c2ccccc2)c(O)c1	808444551	IJUDLJLZXOKHTA-FZKQIMNGSA-N	301.386	3.003	10	20	DGCD	
Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3O)c12	299539708	IWEVOUNDGYRDFT-UHFFFAOYSA-N	323.352	3.044	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1C	294875833	DBTIEAKKABAVHT-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC2(CCO)CC2)c1C	816745726	CMLMHYJINQNPLG-UHFFFAOYSA-N	312.413	3.047	10	20	DGCD	
CCCN1C[C@@H](CN[C@H](C)c2cc(Cl)cc(C)c2O)CC1=O	817590043	SQRUIRPQUPUFMO-CHWSQXEVSA-N	324.852	3.263	10	20	DGCD	
Cc1ccc([C@H](O)CNCc2cc(Cl)c(C)cc2O)cc1	825130736	DZLAQUHRJVXDTC-QGZVFWFLSA-N	305.805	3.486	10	20	DGCD	
CC(C)[C@H](N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21)c1nncn1C	903067147	ZAOMYFRKGIUWTM-XAGWURHQSA-N	318.396	3.195	10	20	DGCD	
Cc1cc(O)c(CNCc2nccc(C(F)F)n2)cc1Cl	825940287	RTOWVARGEWZBON-UHFFFAOYSA-N	313.735	3.371	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCCC2(F)F)c1	834885418	KNQJSNDTLOTUDY-ZYHUDNBSSA-N	313.344	3.265	10	20	DGCD	
CC[C@@](NCc1ccc(N(C)C)cc1)(C(=O)O)c1ccccc1	901653954	VNGQZQBEWISOFL-IBGZPJMESA-N	312.413	3.232	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCc2ccccc2O1	839682233	AYQFIAHCHNADLX-IBGZPJMESA-N	324.424	3.071	10	20	DGCD	
COCc1ccc(SCC(=O)c2ccc(O)c(O)c2)cc1	747813854	MBXXCLYMVODNNK-UHFFFAOYSA-N	304.367	3.219	10	20	DGCD	
CCc1cccc(CN(C)Cc2ccc([S@@](C)=O)cc2)c1O	848891265	YBHWSLZXTXGNED-JOCHJYFZSA-N	317.454	3.324	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1C1CCOCC1	840936599	MBGKORSNFCWNBU-LJQANCHMSA-N	302.462	3.452	10	20	DGCD	
CCCCc1noc([C@@H](C)N2CCCc3cc(CN)ccc32)n1	843350619	QOJRMVBVCDZWAV-CYBMUJFWSA-N	314.433	3.385	10	20	DGCD	
CCOc1cccc(CN2CCC([C@@H]3CCCNC3)CC2)c1O	849350781	WAZGWZJLRZVVHW-MRXNPFEDSA-N	318.461	3.003	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(N)nc1	843059508	NILUNWQNDDKQRW-UHFFFAOYSA-N	310.445	3.286	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1	841666340	AAILPXGBNCUTNH-JFIYKMOQSA-N	315.461	3.469	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNCCC[C@H]2CC2(Cl)Cl)c1	846103478	YUGXRJLCDCABGR-JTQLQIEISA-N	319.188	3.364	10	20	DGCD	
C[C@@H](OCC1CC1)C(=O)NCc1ccc(N2CCCCC2)cc1	742468299	BGYLBUUZDOHGLA-OAHLLOKOSA-N	316.445	3.108	10	20	DGCD	
COc1cc(CN2Cc3ccc(C(C)=O)cc3C2)c(O)cc1C	840178356	CLJVDRBDATWOBC-UHFFFAOYSA-N	311.381	3.428	10	20	DGCD	
Nc1ccc(CCNC(=O)Nc2ccccc2N2CCCC2)cc1	841015994	QETGEWLKQCYECO-UHFFFAOYSA-N	324.428	3.233	10	20	DGCD	
COc1ccc(N(C)Cc2cnc(OC)c(Cl)c2)c(OC)c1	752125185	BAYQEPSMAAIIAR-UHFFFAOYSA-N	322.792	3.397	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC[C@H]2CCOC2)cc1	751224583	MWFGAROEEGEHTM-KRWDZBQOSA-N	318.461	3.308	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc(F)cc1F	759581942	XMCYYUSEUWFYKG-QHHAFSJGSA-N	306.264	3.133	10	20	DGCD	
Cc1nccn1CCCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	756434016	SWALXXVXFWHSDJ-SMDDNHRTSA-N	303.381	3.264	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCC1(C)C	750298001	VGVVGZUXJCLMSO-MRXNPFEDSA-N	303.450	3.439	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2ncc(C)s2)c1	858270983	SLROIBXJSQTKFT-LLVKDONJSA-N	305.403	3.026	10	20	DGCD	
CC(C)[C@H](CC(=O)O)NCc1cc(Cl)cc(Cl)c1O	756360422	GRTRKFHLULQEKQ-NSHDSACASA-N	306.189	3.288	10	20	DGCD	
COc1ccc(N(C)Cc2cc3c(cc2OC)OCO3)cc1F	761216940	SMZJPHDXLMINQS-UHFFFAOYSA-N	319.332	3.208	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@]1(c2ccccc2)CCCO1	934704762	IGTJTGSAJYNELA-LJQANCHMSA-N	311.381	3.057	10	20	DGCD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1	866770614	ZVBBGIQGHOAHBY-LBPRGKRZSA-N	317.360	3.122	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1C(=O)O	863740376	UTBUCKBZCIGREO-QAPCUYQASA-N	316.445	3.220	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCOc1ccccc1Cl	761746135	PWGLIVKJKMLHKM-UHFFFAOYSA-N	319.788	3.473	10	20	DGCD	
Cn1nccc1[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1	768940074	GKQQMSJTNGIZCT-GFCCVEGCSA-N	305.809	3.159	10	20	DGCD	
CCOC(=O)c1[nH]c(C)c(CN(C)Cc2ccccc2O)c1C	862228019	KUDIHJZMZPQAKE-UHFFFAOYSA-N	316.401	3.146	10	20	DGCD	
C[C@H](NCCn1cnc2ccccc21)c1ccc(N(C)C)cc1	765396979	OVSUJAOHZQSXJN-HNNXBMFYSA-N	308.429	3.453	10	20	DGCD	
CCO[C@H](C)c1ncc(C(=O)N(C)c2ccc(N)cc2)s1	877077773	UGJDLPYYTOMRTM-SNVBAGLBSA-N	305.403	3.099	10	20	DGCD	
COc1cc(C)cc(CNc2ccc(N3CCC3=O)cc2)c1O	1119511818	HIVIBFOFMHBEQO-UHFFFAOYSA-N	312.369	3.058	10	20	DGCD	
C[C@@H]1[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2O)CCN1C	775985866	PJMCRFVZSWVEIK-NXEZZACHSA-N	303.233	3.223	10	20	DGCD	
COc1ccccc1S(=O)(=O)Nc1ccc(O)c(C(C)C)c1	882798517	QANBCQWPFBKRBJ-UHFFFAOYSA-N	321.398	3.325	10	20	DGCD	
COc1ccc(CN2CCSC[C@@H]2C2CCC2)c(O)c1OC	894961527	OEDHXCPEGCJBMQ-CQSZACIVSA-N	323.458	3.127	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(SC)CCC2)cc1	782670563	HAMPUYNAXJFEMJ-UHFFFAOYSA-N	306.475	3.435	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(F)cc2Cl)c(O)c1	794381061	JSOJOQRQRYSHNS-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CC[C@H](O)CCCNCc1ccc(N(C)C)cc1C(F)(F)F	792993913	ZUPWOGDFMAQBIZ-AWEZNQCLSA-N	318.383	3.412	10	20	DGCD	
COc1ccc(CNc2cc(OC)c(C)cc2[N+](=O)[O-])c(O)c1	1328558124	RFPMGLWPSYGWFP-UHFFFAOYSA-N	318.329	3.238	10	20	DGCD	
C[C@@H](CNCc1cc(F)c(N(C)C)cc1F)c1ccncc1	1348384043	QYEFJFRACFONNT-LBPRGKRZSA-N	305.372	3.319	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccc(N(C)C)cc1	1354908225	AQUKXALTURXZOW-DOPJRALCSA-N	309.413	3.129	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)c1cncc(F)c1	1604357047	GHJQLPIBJULTOR-VHSXEESVSA-N	304.321	3.036	10	20	DGCD	
COc1ccc(CN[C@@H](C)CN(C)C(=O)CCC(C)C)cc1C	1755577661	PJYRFGSBDWOMJO-INIZCTEOSA-N	320.477	3.376	10	20	DGCD	
O=C(Cc1cccs1)NCc1c(O)ccc2c1CCCC2	156348548	ICEQMFQEOKPKLZ-UHFFFAOYSA-N	301.411	3.191	10	20	DGCD	
CCN1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1O	20563261	KLLFQUNMXCWJGK-LBPRGKRZSA-N	303.233	3.273	10	20	DGCD	
Cc1noc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1	104292795	YQUDORVBTXCHSX-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2CCC3)c1	104900625	QOROMLZNJKNUDG-GFCCVEGCSA-N	311.381	3.381	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1cccnc1	115787487	CHOIJUMTZZWVAH-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)Oc1ccccc1	115281556	LQTHUYCEIPVBER-OAHLLOKOSA-N	312.413	3.145	10	20	DGCD	
COc1ccc(O)c(CN2CCCN(c3ccccc3)CC2)c1	179828046	JBPZUISZSFCCRR-UHFFFAOYSA-N	312.413	3.113	10	20	DGCD	
COCC1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	112332049	LMVUCSBIDCZFLM-UHFFFAOYSA-N	307.434	3.254	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccc(C#N)cc3C)CC2)cc1	186091205	MOIBFUYMWGDLIB-UHFFFAOYSA-N	321.424	3.198	10	20	DGCD	
CC1CCC(N(C)C(=O)NCc2ccc(N(C)C)cc2)CC1	31729546	KGUOAEZAAFUTQW-UHFFFAOYSA-N	303.450	3.473	10	20	DGCD	
CCc1ccc([C@H]2COCCN2Cc2cc(F)ccc2O)o1	180166264	AZIGTJSNOCLSOG-OAHLLOKOSA-N	305.349	3.260	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc2cn[nH]c12	136975343	KYIZBYBLYGCRMI-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1	134621694	ZCVNWMSCMKPDMI-YQQAZPJKSA-N	318.436	3.404	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2	193970155	DNGCHOZMEINEGH-GUDVDZBRSA-N	312.457	3.334	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)ccc1F	96733744	FFKVGDGHLVJBAB-UHFFFAOYSA-N	318.323	3.054	10	20	DGCD	
COc1ccc([C@H](NCc2ccc3c(c2)CCO3)C2CC2)cn1	527840530	GYKSAJIYYWVEJJ-LJQANCHMSA-N	310.397	3.266	10	20	DGCD	
COCCN(C/C(Cl)=C\Cl)c1ccc(OC)c(OC)c1	255754324	IPVHEGKMUZSMPC-PKNBQFBNSA-N	320.216	3.476	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCC[C@H]2c2noc(C)n2)c1	367475476	ZUBPDJTZJXHNCU-HNNXBMFYSA-N	317.389	3.210	10	20	DGCD	
C[C@H](NCc1ncn(-c2ccccc2)n1)c1ccc(N(C)C)cc1	274956684	IBCFFKDNQDTVMX-HNNXBMFYSA-N	321.428	3.184	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2cncn2c1	283898018	KLDSNWPZABOANB-UHFFFAOYSA-N	322.412	3.063	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](F)CC1CCCCC1	281333937	VPRIRXSYPRIGFZ-DOMZBBRYSA-N	323.408	3.454	10	20	DGCD	
CC[C@@H](NCC1CCN(C(C)=O)CC1)c1cccc(Cl)c1O	287568801	GPHXIGGTZXJVOZ-MRXNPFEDSA-N	324.852	3.345	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc([C@@H]2CCOC2)cc1	297507276	UKMCKIPXWUYIIY-OAHLLOKOSA-N	312.369	3.218	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](C)N2CCCCC2)cc1	386966184	XGDQPCPOLBGDRH-KRWDZBQOSA-N	303.494	3.497	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccccc1NC(=O)C1CC1	293398676	NXILWPWDSZMCPZ-UHFFFAOYSA-N	324.380	3.013	10	20	DGCD	
CCCCN(Cc1noc(C2CC2)n1)Cc1ccccc1O	801595199	JCKMCBYNQURCID-UHFFFAOYSA-N	301.390	3.455	10	20	DGCD	
O=C1NCc2c(NCc3cc(Cl)cc(F)c3O)cccc21	809721962	HEHDNRUCGLNLFZ-UHFFFAOYSA-N	306.724	3.040	10	20	DGCD	
CC(C)C[C@@H](CN)N[C@H](C)c1cc(Br)ccc1O	817957557	CVYPMLZFZYGNAD-PWSUYJOCSA-N	315.255	3.179	10	20	DGCD	
C[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H]1C	817959597	HIVTZTMJCXOTLE-VXGBXAGGSA-N	315.442	3.187	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)Nc2ccc(COCCO)cc2)c1	818362375	VNKVZPKLIDXSKE-CQSZACIVSA-N	301.386	3.383	10	20	DGCD	
C[C@@H](NC(=O)NCC1CC(F)(F)C1)c1ccc(N(C)C)cc1	813720433	UUKSNUUJCPLJFE-LLVKDONJSA-N	311.376	3.158	10	20	DGCD	
O=C(NCCc1ccccc1Cl)NCc1ccccc1O	726247619	OLKGYIRBKRPLTH-UHFFFAOYSA-N	304.777	3.088	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/[C@@H]1CCOC1	822653013	WPFMLFJJDBRBTH-PYUISTEWSA-N	316.445	3.082	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	824838638	QOXJVDAJZJSKOR-ZMJPVWNMSA-N	312.196	3.084	10	20	DGCD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(O)cs2)C1	732293466	KHSROTRPMNLNKJ-GFCCVEGCSA-N	310.463	3.084	10	20	DGCD	
CC1(C)C[C@@]1(C(=O)NCc1ccc(O)c(O)c1)c1ccccc1	830558931	DUUQZGYQMMEWDP-IBGZPJMESA-N	311.381	3.082	10	20	DGCD	
O=C1OCCN1c1cccc(CN[C@@H]2CCc3cccc(O)c32)c1	834526109	DSDPJEUXTVSJNB-MRXNPFEDSA-N	324.380	3.126	10	20	DGCD	
Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nn1	839469872	JMODQXANLXABLX-UHFFFAOYSA-N	324.428	3.048	10	20	DGCD	
COc1ccc(N(CCn2c(C)csc2=O)CC(C)C)cc1	746171147	QXTUSKPKDROKHG-UHFFFAOYSA-N	320.458	3.389	10	20	DGCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)[C@H](O)c1cccc(F)c1	834676476	UXZFJPWUQALSPV-POHZPAGDSA-N	301.361	3.230	10	20	DGCD	
CCc1cccc(CNC[C@H](c2cccs2)N(C)C)c1O	848898968	BFYGLBVEYFASSA-OAHLLOKOSA-N	304.459	3.409	10	20	DGCD	
CCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ccc(OC)c(C)c1	1004662361	ZDNNDAKPBJQVRZ-WBVHZDCISA-N	318.461	3.273	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1C[C@H](O)C[C@@H]1c1ccccc1	840958375	QEHOVOQHHRAPAK-IUODEOHRSA-N	321.779	3.493	10	20	DGCD	
C[C@H](C(=O)OC(C)(C)C)N(Cc1cc(F)ccc1O)C1CC1	840958734	RQCATWYLMLXVDW-LLVKDONJSA-N	309.381	3.226	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc(C(C)(C)O)cc2)c1O	846165678	XHSCWUZGTRKEKH-ZDUSSCGKSA-N	315.413	3.479	10	20	DGCD	
COc1cccc([C@H](C)NCCOc2cccc(C)c2)c1O	846147620	WNKYDMYXMJVCDR-AWEZNQCLSA-N	301.386	3.439	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](C(=O)O)[C@@H]3CCCC[C@H]32)cc1	849345349	IHLXAIVZGHICMP-OKZBNKHCSA-N	316.445	3.218	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2CN(C)Cc3ccccc32)c1O	846157687	OMKDBLXAOQGEMB-GUYCJALGSA-N	312.413	3.238	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)cc1F	843418217	ZGDBJQBKPXGKMV-NVXWUHKLSA-N	306.425	3.283	10	20	DGCD	
C[C@]1(F)CCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	844219821	XAAJXPTZOKKESI-DRDHIDPGSA-N	308.309	3.021	10	20	DGCD	
O=C(O)[C@H]1CCC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1	843304029	RNAREHSOLMALJU-DLBZAZTESA-N	316.445	3.410	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H]([C@@H]3CCOC3)C2)c1	749799944	PZUYCYIFTWIBMD-ZIAGYGMSSA-N	319.445	3.254	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc(Br)cc1O)c1ccn(C)n1	840817465	TXABJUNBEIZNFE-NXEZZACHSA-N	324.222	3.300	10	20	DGCD	
CCC(CC)(CNC(=O)NCc1cc(Cl)ccc1O)OC	845216833	QHNWOILOAKVJSA-UHFFFAOYSA-N	314.813	3.050	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(C)C[C@@H](O)Cc1ccccc1	840951066	XZSINFLFPXVLMJ-FQEVSTJZSA-N	312.457	3.096	10	20	DGCD	
Cc1ccc(CNC(=N)NCCCSc2nccs2)cc1	849100767	AAUPOKJYGVDMBS-UHFFFAOYSA-N	320.487	3.248	10	20	DGCD	
COc1ccc(O)c(CNCc2ccc(F)c(F)c2N(C)C)c1	858137241	KFDUVWFUYAVWDC-UHFFFAOYSA-N	322.355	3.035	10	20	DGCD	
COC[C@H]1CCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1	752743025	IHBXOZHTRMYAPD-GOSISDBHSA-N	312.413	3.345	10	20	DGCD	
COC(=O)CCCCN(C)Cc1ccc(N2CCCCC2)cc1	859060267	PTBWBHQBNRXAHZ-UHFFFAOYSA-N	318.461	3.452	10	20	DGCD	
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1	928040487	PUGNRKIPCOXTSU-CZULRBLNSA-N	303.383	3.087	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cc4ncccc4o3)ccc21	931152436	QIKXQZKWGZJSNF-UHFFFAOYSA-N	321.380	3.140	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1cc3c(nc1O)CCCC3)CC2	866642105	CGTSLZMWJRUYNT-INIZCTEOSA-N	310.397	3.149	10	20	DGCD	
C[C@H]1C[C@@H]1c1nnc(NCc2cccc(Br)c2O)o1	865295619	IZVKXIFFVOQPST-CBAPKCEASA-N	324.178	3.273	10	20	DGCD	
CCC(C)(C)[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)O	864517850	ZOOHJGXMCBFHPA-CQSZACIVSA-N	314.376	3.010	10	20	DGCD	
Cc1cc(-c2nnc([C@H]3CCC(=O)N3)o2)c(C)n1-c1ccccc1	1117178839	MLDKCLVOLYVYJP-OAHLLOKOSA-N	322.368	3.095	10	20	DGCD	
COc1c(Cl)cccc1NC(=O)/C=C/c1ccc(O)c(O)c1	779500177	PZAQEEUZZTVMBB-SOFGYWHQSA-N	319.744	3.412	10	20	DGCD	
COc1cc(Br)cc(CN2CC[C@@H]2C(C)C)c1O	775765773	RFPCIXYWHJZALY-GFCCVEGCSA-N	314.223	3.394	10	20	DGCD	
COc1cc(Cl)cc(CNCc2ccc(C(=O)O)cc2)c1O	76274300	MXPKBDIFHNFENA-UHFFFAOYSA-N	321.760	3.042	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1Cc2ccccc2[C@H]1O	1120361737	BFFWLAPBFTYCIR-NXOXCILZSA-N	309.409	3.497	10	20	DGCD	
Cc1ccc2c(c1)CCN2Cc1ccc(N2CCOCC2)cc1	780768685	CGFHKXKXYIHCER-UHFFFAOYSA-N	308.425	3.394	10	20	DGCD	
Cc1ccccc1C[C@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O	786583255	QBQUBEUZUOQOMZ-SWLSCSKDSA-N	321.367	3.233	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)C[C@@H](C)O	783630839	KZURZIXLLWKUJX-ZWNOBZJWSA-N	306.431	3.045	10	20	DGCD	
C[C@@H](CNCc1cccc(Cl)c1O)NC(=O)OC(C)(C)C	192691352	IECGZIVAUXNDRP-JTQLQIEISA-N	314.813	3.048	10	20	DGCD	
CC[C@H](NCc1csc(N(C)C)n1)c1ccc(F)cc1O	796777057	AIDMQXIXYQQVJE-ZDUSSCGKSA-N	309.410	3.295	10	20	DGCD	
CC[C@@H]1C[C@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1324140015	DRKCFNHRKPRTOW-RKDXNWHRSA-N	309.753	3.020	10	20	DGCD	
CC(=O)N1CCC[C@H](CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1	1321074677	SCAGKJCMAGBRHS-BMFZPTHFSA-N	316.445	3.097	10	20	DGCD	
CN(C(=O)Nc1cc(Br)ccn1)c1ccc(N)cc1	1578383872	NKJHOQDQCMZSJW-UHFFFAOYSA-N	321.178	3.095	10	20	DGCD	
COc1ccc(OC(C)(C)C(=O)Nc2ccc(N)cc2)cc1	1579231067	LOKXFIZLVVGKHV-UHFFFAOYSA-N	300.358	3.074	10	20	DGCD	
CCN1CCc2cc(CN[C@@H]3C[C@@H](C(=O)O)CC[C@@H]3C)ccc21	1776877577	VLENRKIASSDKFB-RRQGHBQHSA-N	316.445	3.048	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2CCCC[C@@H]2C(=O)O)c(C)c1	1776856574	AAXDICDOVWGLGZ-DLBZAZTESA-N	304.434	3.184	10	20	DGCD	
CCCC[C@](C)(NCc1ccc2c(c1)CCN2CC)C(=O)O	1776769758	VGRNCNCMXSHVAO-SFHVURJKSA-N	304.434	3.192	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CCC(C)C)C(=O)O)c(C)c1	1776856231	WZTKSAANAFYAKE-QGZVFWFLSA-N	306.450	3.430	10	20	DGCD	
OCC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	886370937	ASUOMYJXXDVSMX-VIFPVBQESA-N	318.122	3.102	10	20	DGCD	
CC(C)(NCc1ccc(N2CCOCC2)cc1)c1nccs1	116381141	POENNLMPMWFVRL-UHFFFAOYSA-N	317.458	3.005	10	20	DGCD	
Cc1cc(C)nc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1	125692640	USFQUKATRNKWDA-UHFFFAOYSA-N	316.380	3.225	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1	128989660	AZKMHGBGBONELI-DNVCBOLYSA-N	323.440	3.209	10	20	DGCD	
COc1cccc2c1OC[C@H](N[C@@H](C)c1cc(F)ccc1O)C2	185334903	LRPKKCKUJSHTPG-SMDDNHRTSA-N	317.360	3.194	10	20	DGCD	
C[C@@H](NCc1cccnc1OCC(F)F)c1ccccc1O	183633511	XOUJGSTUQMYSHI-LLVKDONJSA-N	308.328	3.282	10	20	DGCD	
Cc1cccc(CN(C)Cc2cc(Br)cn2C)c1O	180720516	JHNFKDKVWLFLDJ-UHFFFAOYSA-N	323.234	3.434	10	20	DGCD	
C[C@H]1CN(CCSc2ncc(C(C)(C)C)s2)CCO1	188325384	UZMKRKLBWOZNGX-NSHDSACASA-N	300.493	3.253	10	20	DGCD	
Cc1cnc([C@@H](C)CNC(=O)N(C)Cc2ccccc2O)s1	183200515	JKIXEMWBEQWWMV-NSHDSACASA-N	319.430	3.102	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](C)Cc2ccc(C)cc2)c1O	182507177	XNGCWMQDBOITHS-AWEZNQCLSA-N	313.397	3.204	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H](C)OC2CCCCCC2)c1	133459855	CKBBDGZVMXJJFX-ZDUSSCGKSA-N	321.417	3.145	10	20	DGCD	
CCO[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C12CCCCC2	236971014	VRQVVAZDYYZDHC-SJORKVTESA-N	316.445	3.055	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@]3(CCOC3)C2)cc1F	93820231	DDMWTPOTXPIJDX-SFHVURJKSA-N	306.425	3.284	10	20	DGCD	
CO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	267964478	NYFQBKFOYJBZDB-INIZCTEOSA-N	316.376	3.094	10	20	DGCD	
CCCOc1ccc(CN[C@H](CO)c2ccc(F)cc2)c(O)c1	265220110	GRFWZUYHIBTKKB-QGZVFWFLSA-N	319.376	3.143	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H](CO)c2ccccc21	354044466	ITZXIKWVMZGVOB-ZKKXHLJNSA-N	310.353	3.204	10	20	DGCD	
CC[C@H](N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1O	364345480	DCXLYIHURGBLGO-KSZLIROESA-N	318.461	3.076	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC(c2cccc(F)c2)CC1	365877311	MULPCSDMAIPCMY-UHFFFAOYSA-N	315.344	3.257	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)c2nccs2)c1	273395229	FHNIXYAUVATNLF-MNOVXSKESA-N	320.414	3.090	10	20	DGCD	
Cc1cc(Br)cc(CNCc2ccn(C)c2)c1O	271844039	ROMYSVVFVKSVMO-UHFFFAOYSA-N	309.207	3.091	10	20	DGCD	
CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)n[nH]1	271586609	XOUQQNOJPFVACF-QWHCGFSZSA-N	301.438	3.406	10	20	DGCD	
C[C@@H](NCCc1cn2c(n1)SCC2)c1cc(Cl)ccc1O	274349750	GALBTPHUBUDPBS-SNVBAGLBSA-N	323.849	3.241	10	20	DGCD	
COC[C@H](CN[C@@H](C)c1cc(Cl)c(Cl)cc1O)OC	278643746	HQCOQQPMYJLEDF-IUCAKERBSA-N	308.205	3.011	10	20	DGCD	
COCc1nc(CN[C@H](C)c2ccc(C)c(C)c2O)cs1	289947671	WGSKGYGUCGTXKF-GFCCVEGCSA-N	306.431	3.463	10	20	DGCD	
Cc1c(CN[C@@H]2CCN(C)[C@H]3CCC[C@@H]32)n(C)c2ccccc12	556877846	MRHVJSUCSNTFAD-KURKYZTESA-N	311.473	3.449	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccsc1	800907643	LPSTZYNLELLIDP-LBPRGKRZSA-N	303.431	3.375	10	20	DGCD	
CCOc1ccc(N(C)Cc2cnnn2-c2ccccc2)cc1	808728683	RDBFXJQIFYSBKR-UHFFFAOYSA-N	308.385	3.302	10	20	DGCD	
CN(C)c1ccc(CNCCC(C)(C)CO)c(C(F)(F)F)c1	294685921	BYLOVWHBSHNRHW-UHFFFAOYSA-N	318.383	3.270	10	20	DGCD	
CC(=O)c1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1F	804273258	SZFPDCROPXDTQA-CLTKARDFSA-N	315.300	3.091	10	20	DGCD	
CC[C@H](NCc1cnnn1C)c1ccc(Cl)c(Cl)c1O	806659994	MFLQWJDRZYPKQF-NSHDSACASA-N	315.204	3.068	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)c(C)s1	808095403	ZPGXNLVRHTYHHX-UHFFFAOYSA-N	310.415	3.486	10	20	DGCD	
CSC[C@H](O)CNCc1ccc(N(C)C2CCCCC2)cc1	818981112	QWLPENKOQNSWCX-GOSISDBHSA-N	322.518	3.269	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1)c1ccc(N2CCCCC2)c(F)c1	817952801	SUHLOQFKPPKBLB-GOEBONIOSA-N	305.441	3.219	10	20	DGCD	
CCC[C@@H](C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819583582	XQYVTVAGKDUWNA-CVEARBPZSA-N	318.461	3.464	10	20	DGCD	
C[C@@H](N[C@@H]1CCCNC1)c1ccc(N2CCCCCC2)cc1	817940075	DDSGCTXGUGVHHZ-SJLPKXTDSA-N	301.478	3.470	10	20	DGCD	
CCC(CC)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819584420	JFOLKZVJMWLWNA-MRXNPFEDSA-N	318.461	3.464	10	20	DGCD	
CCCn1ncc(NCc2cccc(OC)c2O)c1C1CC1	824630421	NMNUPUOXTBJEGO-UHFFFAOYSA-N	301.390	3.497	10	20	DGCD	
O=C(CSC1CC1)N(Cc1ccco1)Cc1ccccc1O	825905846	RRUMXRHPKDWCAD-UHFFFAOYSA-N	317.410	3.410	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2occc2C)cc1F	826943641	XDFRWQNHMKFAFQ-UHFFFAOYSA-N	318.392	3.432	10	20	DGCD	
C[C@H](NCC[C@H](O)C1CC1)c1cccc(C(F)(F)F)c1O	903408854	URFYHRVUKCIGKJ-ZANVPECISA-N	303.324	3.223	10	20	DGCD	
C[C@H](NCc1cc(N(C)C)ccn1)c1ccc(Cl)cc1O	903196606	BMQUFZRQFGCAKM-NSHDSACASA-N	305.809	3.357	10	20	DGCD	
COc1cccc(CNC(=O)NCC2CCCCCC2)c1O	838669336	UZSNHQLGBNZKSP-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1cccnc1OCC(F)F)CC2	834696925	BRZXFHBNOZHPKG-ZDUSSCGKSA-N	320.339	3.208	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCCOC(C)C	741089220	NEKFWTLVMCTHDV-UHFFFAOYSA-N	321.465	3.018	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc2c(c1)CNC2)c1ccc(N(C)C)cc1	841333638	ZWSZHWWODDQJPO-ZDUSSCGKSA-N	324.428	3.239	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1	746799046	YHDOHXYFLGAEIM-UHFFFAOYSA-N	320.389	3.086	10	20	DGCD	
CN(C)c1ccc(CNC(=O)/C=C\c2cccs2)cc1F	746798980	UPEKQYXBQZIZIA-VURMDHGXSA-N	304.390	3.283	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1ccco1	840237258	ILMNOFDFNYLBCA-CQSZACIVSA-N	315.417	3.084	10	20	DGCD	
COc1cccc(CNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)c1O	745635142	CVDQEACYLUHJPB-MELADBBJSA-N	318.417	3.026	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@H](N[C@@H](C)c2cc(OC)ccc2O)[C@@H]1C	845970876	FAVAKLZURJCDSF-DVZHBHJUSA-N	321.417	3.029	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccnc3ccccc23)cc1	841042834	LOWIBFWZHJKERU-IBGZPJMESA-N	320.440	3.090	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)N2CCc3ccccc32)cc1	759933333	NCFVHMIAUBUOON-UHFFFAOYSA-N	324.424	3.499	10	20	DGCD	
CCc1nn(C)c(CC)c1CNCc1ccc2c(c1)CCCO2	921931464	HGBGWTOZFUXEPK-UHFFFAOYSA-N	313.445	3.160	10	20	DGCD	
C[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1	920232377	QAHMDRZPPPVPNH-ZBFHGGJFSA-N	303.450	3.378	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CCC34CCC4)cc2)CC1	850568526	ZZXMIFDXIAXALC-SFHVURJKSA-N	300.446	3.070	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCC(F)(F)F)c1	756624056	DELXTESGZAAEER-VIFPVBQESA-N	305.296	3.172	10	20	DGCD	
CCOC(=O)[C@@H]1CC[C@H](NCc2cc(C)ccc2O)C[C@H]1C	862476444	UJKRBFJVARDGRB-VNQPRFMTSA-N	305.418	3.158	10	20	DGCD	
Cc1nc(C)c(CNC(=O)N[C@H](C)c2ccccc2O)s1	868313333	JQSPWBFZQDJESW-SECBINFHSA-N	305.403	3.026	10	20	DGCD	
COc1ncc(/C=C/C(=O)N2CCC[C@@H](C)c3ccccc32)cn1	775898440	WRKCHLNNWXYAFL-ATWMFIQVSA-N	323.396	3.429	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CCOC[C@@H]2OCC)cc1C	873103542	FVYYUIYYYKLAKU-AEFFLSMTSA-N	307.434	3.067	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C3(C)CCCC3)CC2)cc1	1116419488	LSYWCLMCQNVKAI-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
Cc1cccc(OCCOC(=O)/C=C/c2ccc(O)c(O)c2)c1	772775230	NIKIMCGAAKDDLG-SOFGYWHQSA-N	314.337	3.042	10	20	DGCD	
Cc1ccc(C[C@H]2CCCN2C(=O)NCc2ccc(N)cc2)cc1	1357791080	IVZJRMBDCVFEAX-LJQANCHMSA-N	323.440	3.494	10	20	DGCD	
COC(=O)[C@@H](c1ccccc1)N(C)Cc1cccc(Cl)c1O	775696845	PQGNGWJLMXCODC-OAHLLOKOSA-N	319.788	3.392	10	20	DGCD	
CSCCCCCCNC(=S)NCc1ccccc1O	782202570	RJIPSBXPZTWIFE-UHFFFAOYSA-N	312.504	3.280	10	20	DGCD	
CN(C)c1ccc(OCC(=O)N(Cc2ccccc2)C2CC2)cc1	786866788	WISDAYCICFFCGR-UHFFFAOYSA-N	324.424	3.323	10	20	DGCD	
Cn1cc(CNCCCSc2nccs2)c(C2CC2)n1	893044300	FTFQJZACGWCFFF-UHFFFAOYSA-N	308.476	3.026	10	20	DGCD	
CC[C@@]1(C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	785585957	SQQLQOWJIUELFM-KSSFIOAISA-N	319.449	3.024	10	20	DGCD	
CC[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O	189999012	SHTGTISOAGFANH-OCCSQVGLSA-N	308.422	3.346	10	20	DGCD	
CCC[C@]1(NCc2c(O)cccc2Br)CCOC1	706835357	VVDQPIHGYHLQDE-AWEZNQCLSA-N	314.223	3.204	10	20	DGCD	
COCCCCCNCc1c(O)cccc1Br	706884809	HQFMIGCTQWCVPU-UHFFFAOYSA-N	302.212	3.061	10	20	DGCD	
COc1ccc(CN[C@H]2CCc3c(cccc3OC)C2)c(O)c1	793386410	PGEMPDZYXXCZDP-HNNXBMFYSA-N	313.397	3.057	10	20	DGCD	
CCC[C@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792972781	CQEPVDOTMKZBNU-ZDUSSCGKSA-N	304.356	3.022	10	20	DGCD	
Cc1ccc2c(c1)CCN(Cc1ccc(N3CCOCC3)cc1)C2	792181842	VBTKPPPTPRPMFH-UHFFFAOYSA-N	322.452	3.390	10	20	DGCD	
CCOC[C@H]1CCN(Cc2cccc(Br)c2O)C1	93839103	NFTPUEXGGYTKRM-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1Cc2ccc([N+](=O)[O-])cc2C1	1331382680	NSYSYDBMLOHFAU-UHFFFAOYSA-N	311.385	3.485	10	20	DGCD	
Nc1ccc(CN2CCNC[C@H]2c2ccccc2Cl)cc1	1334753338	CWHVPVIXIAYWMA-KRWDZBQOSA-N	301.821	3.069	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CCN(CC2CC2)C1	1337784975	HKYTZVHPJUTFHF-KBMXLJTQSA-N	300.446	3.323	10	20	DGCD	
COc1ccc(C)cc1CN[C@@H](C)c1cc(C(=O)O)ccc1O	1599534720	RYTRTFFIQQTRTF-LBPRGKRZSA-N	315.369	3.258	10	20	DGCD	
CN(Cc1cc(C(=O)O)ccc1Cl)c1ccc2c(c1)OCO2	1598506559	CUZNEIMRBBYJGH-UHFFFAOYSA-N	319.744	3.403	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CC=CC[C@@H]2C(=O)O)cc1C	1776822028	BXQRYWYCOZMJLK-JKSUJKDBSA-N	303.402	3.293	10	20	DGCD	
Cc1cc(C(=O)N(C)[C@H]2CCSC2)c(C)n1-c1ccccn1	162583965	NOQVSKJQSQKXPM-AWEZNQCLSA-N	315.442	3.067	10	20	DGCD	
COc1ncccc1NCc1cc(Br)ccc1O	163294288	SNXZSYFPUOZSCA-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2nccs2)c1	52914315	JLIKZFBPNBNCFP-SECBINFHSA-N	321.427	3.221	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@@H](C)[C@H]1C	118581819	QUOVEJMMOPHHDO-KGLIPLIRSA-N	321.490	3.096	10	20	DGCD	
Cc1ccc(O)c(CNC[C@](C)(O)c2cccc(Cl)c2)c1	185111628	WYXBPQCHMJNTDD-KRWDZBQOSA-N	305.805	3.351	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC2CCN(CC(C)C)CC2)c1	184972765	CQPGXPNMJANHNZ-AWEZNQCLSA-N	306.450	3.172	10	20	DGCD	
CCCN(Cc1c(CC)nn(C)c1CC)c1ccc(CN)cc1	194978767	QMARMMMITPQWCI-UHFFFAOYSA-N	314.477	3.420	10	20	DGCD	
CCN(C(=O)c1cccc(O)c1O)[C@@H](C)c1cccc(OC)c1	193094055	ADVJFHOGMRHLNZ-LBPRGKRZSA-N	315.369	3.330	10	20	DGCD	
CC(C)CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	42905741	ISNSAYQFFGJDQS-INIZCTEOSA-N	320.433	3.129	10	20	DGCD	
Cc1c(CNC(=O)[C@H]2CCc3cccnc32)n(C)c2ccccc12	425278546	GNUPUMXLGYNVHL-INIZCTEOSA-N	319.408	3.228	10	20	DGCD	
Oc1cc2c(cc1CNCc1cc(-c3ccccc3)on1)OCO2	238132838	PBHSNJVUFYGTTO-UHFFFAOYSA-N	324.336	3.066	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCOC[C@H]1C1CC1	93645557	YXQJOBRJECUAOD-ZDUSSCGKSA-N	302.201	3.310	10	20	DGCD	
COc1cccc(CN2CCOC3(CCCCCC3)C2)c1O	93769225	NAMNWTUYWYXPRL-UHFFFAOYSA-N	305.418	3.326	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCN(c2cccs2)CC1	93692161	WNMSOYHPRYUBDG-UHFFFAOYSA-N	308.834	3.429	10	20	DGCD	
C[C@@H](O)C[C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1	93482183	HOWHNLDGQNAIKW-VQIMIIECSA-N	302.462	3.412	10	20	DGCD	
C[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C[C@H]1n1ccnc1	248892526	SJPKRNAHUGEQES-BXUZGUMPSA-N	323.799	3.464	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC(F)(F)C1	283809709	OPWUVZAGMBJFBJ-LBPRGKRZSA-N	312.360	3.359	10	20	DGCD	
CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(O)c1O	288739981	ZVPUWONLULXUJZ-HNNXBMFYSA-N	315.369	3.330	10	20	DGCD	
COc1cccc(/C=C2\SC(=S)N(C3CCC3)C2=O)c1	292385540	UZZWFIJLCKFRNU-LCYFTJDESA-N	305.424	3.449	10	20	DGCD	
CCCCN(C)C[C@H](C)NCc1cc(Cl)cc(OC)c1O	809792760	FXNUPEGWJPTBGH-LBPRGKRZSA-N	314.857	3.264	10	20	DGCD	
Cc1cc(C(=O)NCC2CC(F)(F)C2)c(C)n1-c1ccccn1	293639796	KPJXAIMWOIBLMS-UHFFFAOYSA-N	319.355	3.264	10	20	DGCD	
COCCOCCN(C)Cc1cc(C)cc(C(C)(C)C)c1O	808237939	LPNBVROQMMPXQL-UHFFFAOYSA-N	309.450	3.093	10	20	DGCD	
COCc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1	728983722	CZBYEGUMTGHFMS-GFCCVEGCSA-N	315.369	3.038	10	20	DGCD	
C[C@@H](Cn1ccnc1)N[C@@H](C)c1cccc(C(F)(F)F)c1O	815558676	KTIVULZTFOEDJG-QWRGUYRKSA-N	313.323	3.347	10	20	DGCD	
COc1ccc(N(CC(=O)N2CCC(C)CC2)C(C)C)cc1F	725816007	WEDVKHMGLAWRAW-UHFFFAOYSA-N	322.424	3.308	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)[C@H](C)c2ccccc2)cc1OC	827491296	JUWBVJIBAFNVKL-RHSMWYFYSA-N	315.413	3.305	10	20	DGCD	
CC(C)Oc1cc(C(=O)N[C@H](C)c2ccccc2O)ccn1	827936871	DYWAAVVQSXFDGZ-GFCCVEGCSA-N	300.358	3.065	10	20	DGCD	
COc1cc(CN(C)Cc2cnccn2)c(O)c(C(C)(C)C)c1	824632623	NRHDYTYWSSPZOU-UHFFFAOYSA-N	315.417	3.120	10	20	DGCD	
CCc1cc(C(=O)N[C@H](C)c2ccccc2O)cc(Cl)n1	828539628	RLPQVVHALOJYBG-SNVBAGLBSA-N	304.777	3.494	10	20	DGCD	
CC(C)[C@H](N[C@H](C)c1ccc(Cl)cc1O)c1nncn1C	903064510	MZOLXSZXTZRGEO-YGRLFVJLSA-N	308.813	3.222	10	20	DGCD	
Cc1ccc(CN(C)Cc2ccc(Br)cc2O)nc1	825671774	OZTFYGKWWJQDEJ-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
COc1ccc(CN[C@@H](CCO)c2ccccc2F)cc1C	842762165	BFOVPLAVCBRSDL-KRWDZBQOSA-N	303.377	3.356	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2ccccc2[N+](=O)[O-])c1O	846144246	GQICSAIUGPXRQG-GFCCVEGCSA-N	316.357	3.202	10	20	DGCD	
COCCCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	742415997	HRVZNBBUMYREBJ-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CO[C@H](C)C1	844104069	CNAHQYNAVGXZEU-CHWSQXEVSA-N	304.415	3.063	10	20	DGCD	
CCCCN1CC(=O)N[C@H]1c1cc(-c2ccccc2)ccc1O	749699682	HWFZPGSBBOJZFA-LJQANCHMSA-N	310.397	3.290	10	20	DGCD	
CCc1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1O	848898608	FLDRIXRGRKSTJO-JQHSSLGASA-N	301.430	3.392	10	20	DGCD	
CC[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCCCC1	841774507	DWBJTMHZCBMYBN-QGZVFWFLSA-N	303.450	3.469	10	20	DGCD	
COc1cccc([C@H](C)NCCc2ncc(C)cc2C)c1O	848559511	DQLLDMMVRQUDGX-AWEZNQCLSA-N	300.402	3.306	10	20	DGCD	
CC(C)C1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CC1	753346916	ZLZNEZQMWPRRHL-UHFFFAOYSA-N	315.461	3.304	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756570319	AMIYDXSZHNHNQK-RKDXNWHRSA-N	305.334	3.317	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](C)C2)c1	859048991	WEESQCDDEDWPNU-CYBMUJFWSA-N	310.397	3.389	10	20	DGCD	
CN(C)c1cc(F)c(CNCCCNc2ccccn2)cc1F	858148808	LXALOQSXBWGJKU-UHFFFAOYSA-N	320.387	3.018	10	20	DGCD	
COCc1ccc([C@@H]2CCCN2Cc2c(O)cccc2OC)o1	768541300	MSGHTUORWVEXII-HNNXBMFYSA-N	317.385	3.477	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](Nc2ccccc2)C1	769250131	JJVCELUCWFGDNL-CYBMUJFWSA-N	302.399	3.170	10	20	DGCD	
COc1ccc2c(c1)CCCN(Cc1cccc(OC)c1O)C2	769331751	XGEAQJCCPGUBRD-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
CC[C@H](C)N(CCO)Cc1cc(Br)cc(C)c1O	862387450	LYEAQBMIYHYPPN-NSHDSACASA-N	316.239	3.056	10	20	DGCD	
Cc1cc(F)ncc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	867504104	RWWGQYROSCJOGJ-LBPRGKRZSA-N	301.365	3.086	10	20	DGCD	
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(O)cs1	765863897	BUVUNSUOOIBQBH-OCCSQVGLSA-N	303.383	3.104	10	20	DGCD	
Cc1cc(O)c(CNCc2cc(C3CC3)n(C)n2)cc1Cl	897230027	CDLQQDURBIGJLM-UHFFFAOYSA-N	305.809	3.255	10	20	DGCD	
CCN(Cc1cccs1)Cc1ccc(OC)c(OC)c1O	891511356	URBXRWPISAPPJS-UHFFFAOYSA-N	307.415	3.493	10	20	DGCD	
CCOC(=O)[C@@H](NCc1c(O)ccc(Cl)c1F)C(C)(C)C	792175522	VOSONEMQVWTPBB-CYBMUJFWSA-N	317.788	3.252	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2cc(C)cc(OC)c2O)C12CCC2	894267603	BAMJZJKHQFVESI-CVEARBPZSA-N	305.418	3.147	10	20	DGCD	
CC[C@@H](CSC)NCc1c(O)cccc1Br	706881758	ZUJQXCXPRYTFFX-VIFPVBQESA-N	304.253	3.386	10	20	DGCD	
CO[C@@H](C)CCNCc1ccc(N(C)C)cc1C(F)(F)F	792952453	ZMPMECFUAFXPJE-NSHDSACASA-N	304.356	3.286	10	20	DGCD	
CCCN(Cc1ccc([S@](C)=O)cc1)c1ccc(CN)cc1	1321026211	YALHBVAEQAMCBZ-QFIPXVFZSA-N	316.470	3.299	10	20	DGCD	
CC[C@H](C)C[C@H](CO)NCc1ccc(Br)cc1O	1327841615	OVQNUQKYIZEDDE-GXFFZTMASA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CSCc2cccs2)c1	1330124673	LVJWBRFYLVKPHO-UHFFFAOYSA-N	307.440	3.312	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OC)c(C)c2)c1	1349331667	UFVVLLRURKWULO-GFCCVEGCSA-N	315.369	3.209	10	20	DGCD	
C[C@H](NCCCn1cc(Br)cn1)c1ccccc1O	287275631	JGKXIEPPDUHYJE-NSHDSACASA-N	324.222	3.092	10	20	DGCD	
CC(C)[C@H]1CN(Cc2cc(Br)ccc2O)CCO1	709029839	ORYJBMSINZOKEE-CQSZACIVSA-N	314.223	3.012	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F	113418803	RDPNOCRWRLVFNI-GJZGRUSLSA-N	317.335	3.433	10	20	DGCD	
COc1cccc(CN2CC=C(c3ccc(O)cc3)CC2)c1O	179804306	DZYLZBZXEDQFKE-UHFFFAOYSA-N	311.381	3.396	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)ccc1NCCc1ccc(O)c(O)c1	302784020	UJZWNEQFJDSOAR-UHFFFAOYSA-N	308.721	3.314	10	20	DGCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C[C@@H]1n1ccnc1	121624919	ZRJPDYFRFXXKFM-KDOFPFPSSA-N	311.429	3.161	10	20	DGCD	
C[C@@H]1CCC[C@@]1(O)CNCc1cc(Cl)cc(Cl)c1O	328185136	OITMHFVOAZCODW-YMTOWFKASA-N	304.217	3.340	10	20	DGCD	
CCCCCNC(=O)[C@@H](C)N(CCC)Cc1ccccc1O	76073954	YJKFXCGWICIEIR-OAHLLOKOSA-N	306.450	3.299	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(C)(CO)CC2)cc1F	184074828	WOZNYFIFFMLXRO-UHFFFAOYSA-N	308.441	3.266	10	20	DGCD	
CN(Cc1ccccc1O)[C@H]1CCCN(Cc2ccccc2)C1=O	89912292	QZQTYCXXOIAZPS-SFHVURJKSA-N	324.424	3.015	10	20	DGCD	
COc1ccc(N(C)Cc2c(Br)c(C)nn2C)cc1	89232621	TYIDYOLBDQWJGP-UHFFFAOYSA-N	324.222	3.136	10	20	DGCD	
O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccccc1F	96744380	WKDZYOCRKFOIKQ-UHFFFAOYSA-N	320.389	3.227	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CCN(Cc3ccccc3)C1)CC2	295867341	GYAXHPNXZIROKE-QZTJIDSGSA-N	308.425	3.244	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C\c2ccc(Cl)s2)c1	255045777	FORZSROWZZRHAK-DAXSKMNVSA-N	323.801	3.445	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCC[C@H]2CCO[C@@H](C)C2)c1	273497781	YDPKNCDVIDSWEI-IHRRRGAJSA-N	321.417	3.035	10	20	DGCD	
CO[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	374681368	VCFJCIAQQJXFRB-AWEZNQCLSA-N	311.809	3.249	10	20	DGCD	
COCCCOc1ccc(CNCc2cccc(C)c2O)cc1	289577804	SXVYEEYVKUYADZ-UHFFFAOYSA-N	315.413	3.406	10	20	DGCD	
COCC[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCCC2)cc1	281721264	UOQFAPJLAZNCAC-WMZOPIPTSA-N	320.477	3.115	10	20	DGCD	
C[C@@H]1[C@H](N2CCCC2)CCN1Cc1c(O)ccc(Cl)c1F	809724113	DYZXHTPPQUKPCV-BXUZGUMPSA-N	312.816	3.243	10	20	DGCD	
CN(C)[C@@H](CN[C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1	296161097	XEQDPWJKYRYJGP-SJORKVTESA-N	314.404	3.411	10	20	DGCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]2CCC[C@@H]21	294874454	UBWJWWZCJDOVHR-CYUPMTOZSA-N	301.386	3.148	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)N(C)C(C)C	801596883	SKMOREBBUXXMAM-OAHLLOKOSA-N	306.450	3.250	10	20	DGCD	
COc1ccc(N2CCN(C(=O)CC(C)(C)C3CC3)CC2)cc1	814721066	VPLZVJFEHLEPLQ-UHFFFAOYSA-N	316.445	3.170	10	20	DGCD	
COc1ccc(O)c(CN[C@@H]2CCO[C@@H](c3cccs3)C2)c1	825086487	SUWWDKYVPYDRRF-CZUORRHYSA-N	319.426	3.472	10	20	DGCD	
Cc1cc(CN2CC[C@H](O)[C@H](C)C2)ccc1N1CCCCC1	828987792	LQKNTTXBBHQPHG-APWZRJJASA-N	302.462	3.188	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	824838951	TZGKZGCABWPJIV-KOUHRCEDSA-N	319.404	3.444	10	20	DGCD	
COc1cccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)c1O	825086378	SGBKFOYEBARSLV-UKRRQHHQSA-N	319.426	3.472	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c(C)noc2C(C)C)c1	729279785	CEJZGLAEDVTDLS-JTQLQIEISA-N	318.373	3.312	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@@]3(C)CCC[C@H]3C)CC2)cc1	822197190	PHCZNXAWGYTSLM-BEFAXECRSA-N	316.445	3.170	10	20	DGCD	
CC(C)CN(Cc1ccc(N(C)C)cc1)Cc1cnn(C)c1	835076791	LQAPOMZGEIDIKO-UHFFFAOYSA-N	300.450	3.144	10	20	DGCD	
O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc(O)cs1	732282537	PVGKELFEIGTALO-ZFWWWQNUSA-N	303.383	3.104	10	20	DGCD	
Cc1cc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1N(C)C	839638304	ZMWCKTOKFRDRGB-AZUAARDMSA-N	310.441	3.369	10	20	DGCD	
O=C(NCCCSc1nccs1)c1ccc(Cl)nc1	733973946	GCLLYPCTHOGMSG-UHFFFAOYSA-N	313.835	3.104	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)NCc2ccc(C)cc2)cc1	739922607	NLVLSNBUYMTMSG-UHFFFAOYSA-N	312.413	3.146	10	20	DGCD	
Cc1cc(CN2CCC[C@H](O)CC2)ccc1N1CCCCC1	830052102	IOBXCZAFLROCOU-SFHVURJKSA-N	302.462	3.332	10	20	DGCD	
COC(C)(C)COC(=O)c1cc(C)n(-c2ccccn2)c1C	835501805	DRTXOJAYDPNSQG-UHFFFAOYSA-N	302.374	3.071	10	20	DGCD	
CCOc1ccc(N(C)C[C@H](O)COc2ccccc2F)cc1	740423123	BWNKGBHWKCYHPD-HNNXBMFYSA-N	319.376	3.101	10	20	DGCD	
Cc1cc(F)cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1	742597305	USXQLOMQTDWTNX-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
COCC(COC)N[C@@H](C)c1ccc(N2CCCCCC2)cc1	834891664	PUCVHBJUZMUOIZ-INIZCTEOSA-N	320.477	3.379	10	20	DGCD	
COC(C)(C)CN(C)Cc1c(O)c(C(=O)O)cc2ccccc12	831487489	CQGFBMBCBXIBTL-UHFFFAOYSA-N	317.385	3.100	10	20	DGCD	
CCOc1cccc(CNCc2cc(Cl)ccc2O)c1O	846058813	UNIHAHJIQQBAPR-UHFFFAOYSA-N	307.777	3.440	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](NCc1ccc(N(C)C)cc1)C(=O)O	849230165	CGBKMBUSHVGMOX-RDTXWAMCSA-N	312.413	3.099	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](C)C(=O)OC(C)(C)C)c1O	848563498	SZJMYBKLIRMTAB-VXGBXAGGSA-N	309.406	3.029	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(CC(F)F)C2)cc1	841764936	JWLVAZMFYYFSLG-UKRRQHHQSA-N	311.420	3.133	10	20	DGCD	
C[C@H](NCCCN1CCCCCC1=O)c1ccc(Cl)cc1O	841745348	YFBPPCCGYFLABJ-ZDUSSCGKSA-N	324.852	3.489	10	20	DGCD	
C[C@@H](CNC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1	841042741	NCJUYZMWKSZEES-LIRRHRJNSA-N	315.436	3.285	10	20	DGCD	
CC(=O)Nc1ccc(CN2CCCc3cc(CN)ccc32)cc1	843057872	WDXSZUDBLWSHEM-UHFFFAOYSA-N	309.413	3.057	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc(Cl)c(F)c2)cc1	841041165	BCTXTWDRQNBJFZ-KRWDZBQOSA-N	321.827	3.335	10	20	DGCD	
CCc1cccc(CN[C@@H](C)c2noc(COC(C)C)n2)c1O	848913247	SKAWDTKJJRYPLJ-LBPRGKRZSA-N	319.405	3.113	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCN(CC3CC3)C2)c2c(O)ccc(F)c21	756554286	ORSBCTBJVGACRU-KYOSRNDESA-N	304.409	3.154	10	20	DGCD	
Cc1cccc(OCC(=O)NCc2cc(Cl)ccc2O)c1	857546779	ICQVXWWOCCZZOL-UHFFFAOYSA-N	305.761	3.049	10	20	DGCD	
C[C@H](NCCN(C)c1ccccc1)c1cc([N+](=O)[O-])ccc1O	756381974	PNBVFKKUXZIPEE-ZDUSSCGKSA-N	315.373	3.087	10	20	DGCD	
CCc1nc([C@H](C)N[C@H]2C[C@H](C)c3c(F)ccc(O)c32)n[nH]1	756778231	NLBBEFSGYKHZIC-QXEWZRGKSA-N	304.369	3.111	10	20	DGCD	
COc1ccc2c(c1)OC[C@@H](N[C@@H](C)c1ccc(C)cc1O)C2	756776241	XISLTPULYXWZOF-ZFWWWQNUSA-N	313.397	3.364	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCc2ccccc2F)c1	756356392	BERUJUSQDMEBNN-LBPRGKRZSA-N	317.360	3.211	10	20	DGCD	
C[C@@]1(CNCc2cc(Cl)cc(F)c2O)CCO[C@@H]1C1CC1	768540589	JMOJNWIXWOTSSZ-CVEARBPZSA-N	313.800	3.480	10	20	DGCD	
COCc1ccccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773012542	UYTRUWUQXYENOY-AWEZNQCLSA-N	312.413	3.390	10	20	DGCD	
CCOc1cccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)c1	789964281	VCRRGCXTURPJHL-SNVBAGLBSA-N	319.332	3.127	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CNCCO[C@@H]1CCCCO1	894798673	FTSUERPARHWABS-LJQANCHMSA-N	318.461	3.310	10	20	DGCD	
COc1ccc(CNC(=S)Nc2ccc(C)c(F)c2)c(O)c1	795031587	LZXVSCWQPLFPBG-UHFFFAOYSA-N	320.389	3.335	10	20	DGCD	
OC[C@@H](CC1CCC1)NCc1cc(Cl)cc(Cl)c1O	793323330	UFFCZJWRBMWIJV-GFCCVEGCSA-N	304.217	3.340	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]2COC[C@@H]21	690783885	YPICMJUKXPVRDT-RNCFNFMXSA-N	302.201	3.310	10	20	DGCD	
CCN1C(=O)/C(=C\c2ncc(-c3ccccc3)[nH]2)SC1=S	1318395586	TYPAGHYBXMUTOB-XYOKQWHBSA-N	315.423	3.298	10	20	DGCD	
CN(C)c1cccc(C(=O)Nc2c(Cl)ccc3nonc23)c1	1321102985	DDGGNQWFHPBBRO-UHFFFAOYSA-N	316.748	3.195	10	20	DGCD	
CCCN(Cc1ccccc1O)c1ncnc2scnc12	1328011729	BUINMNFYQQGEAY-UHFFFAOYSA-N	300.387	3.209	10	20	DGCD	
CSc1cc(C(=O)Nc2c(Cl)ccc3nonc23)ccn1	1324139993	DMTSPQKPQUETKE-UHFFFAOYSA-N	320.761	3.245	10	20	DGCD	
CCCN(CCC)Cc1ccc(N2CCN(C)CC2)c(F)c1	1253963035	JHYUJCKEJYELDT-UHFFFAOYSA-N	307.457	3.200	10	20	DGCD	
C[C@@H](OC(C)(C)C)c1nnc(N(C)Cc2ccccc2O)n1C	1355486280	YQTNQNPRIDTQJJ-GFCCVEGCSA-N	318.421	3.033	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)ccc1F	1600202893	BEFPJISQFBHVSC-NSHDSACASA-N	303.333	3.389	10	20	DGCD	
CCOc1ccc(CNc2ccc(C(=O)O)c(C)c2)c(O)c1	1610042938	PNSZCCQCRAGPSK-UHFFFAOYSA-N	301.342	3.410	10	20	DGCD	
Cc1cc(CN2CC[C@]23CCCNC3)ccc1N1CCCCC1	1579598253	LMGRVQCBCGWLKG-FQEVSTJZSA-N	313.489	3.313	10	20	DGCD	
Cc1c(NC(=O)Cc2ccc(N)cc2)cnn1-c1ccc(F)cc1	1579540528	VAFMEQOIAZWFPF-UHFFFAOYSA-N	324.359	3.083	10	20	DGCD	
CCC(CC)C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1	1752862973	WCRXGWULGVNLAA-AWEZNQCLSA-N	306.450	3.034	10	20	DGCD	
CC(C)C[C@@H](CC(=O)O)NCc1cc(F)c(N(C)C)cc1F	1776335451	HYMGJHHRNXPZHH-LBPRGKRZSA-N	314.376	3.010	10	20	DGCD	
C[C@H](NCCC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1	164964351	HJVNWVRJQHKTRN-HNNXBMFYSA-N	311.429	3.432	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(OC)c1	155194078	DITBHNLIHGXXLZ-UHFFFAOYSA-N	314.429	3.402	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1	154873615	OMKRYBYHPRFAEN-UHFFFAOYSA-N	320.433	3.190	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)CC(=O)N(C)Cc1ccccc1O	159081357	GTEYCHTVHKUXBE-NSHDSACASA-N	302.374	3.149	10	20	DGCD	
COc1cc(Cl)cc(CNCC2(SC)CCC2)c1O	193364108	SIKYKFWVZNRNPF-UHFFFAOYSA-N	301.839	3.430	10	20	DGCD	
CC[C@@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O	897423765	PMLXVKUBCWGXEK-CQSZACIVSA-N	320.433	3.490	10	20	DGCD	
Cc1ccc(O)c(CN(C)CC(=O)Nc2c(C)cccc2C)c1	179630708	XJGHENRKBSRINY-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
CSC(C)(C)CNC(=O)NCc1ccc2c(c1)CCCN2C	174354771	MEERYLMOQHYQEW-UHFFFAOYSA-N	321.490	3.010	10	20	DGCD	
COc1ccc(N(C)Cc2nc(CCC(C)C)no2)cc1OC	64517146	WBQKMQTYQSOVHO-UHFFFAOYSA-N	319.405	3.312	10	20	DGCD	
COCCOc1ccc(CN[C@@H](C)c2ccccc2O)cc1	183415764	ORYFOEPBMRIFFL-AWEZNQCLSA-N	301.386	3.268	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)C1(Cc2ccccc2)CCC1	182528736	FCVGYBNVFSECTL-UHFFFAOYSA-N	311.381	3.127	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCn3ccnc3)c2C)c1	75862268	CXOUKZPOIFMAMK-UHFFFAOYSA-N	322.412	3.029	10	20	DGCD	
CCN(Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1O	120033430	VLAGOXXDAXYJRL-UHFFFAOYSA-N	315.369	3.152	10	20	DGCD	
CCn1nc(C)c(NCc2cc(Cl)cc([N+](=O)[O-])c2O)c1C	124434016	OZDYEUWIKCVQTA-UHFFFAOYSA-N	324.768	3.399	10	20	DGCD	
O=C1CCc2cc(C(=O)CSc3nccs3)ccc2N1	48874850	DLIVGCGYDAKQSU-UHFFFAOYSA-N	304.396	3.003	10	20	DGCD	
O=C(C=C1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	132223807	VGVAKFTXFMNNJI-MRXNPFEDSA-N	301.386	3.010	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](O)Cc2ccccc2)cc1	236922208	UMIMIEOASDBOCC-HXUWFJFHSA-N	312.457	3.226	10	20	DGCD	
Cc1c(CNC(=O)[C@@H]2CCCSC2)n(C)c2ccccc12	355305321	ZDQXUOJWOJPKAQ-CYBMUJFWSA-N	302.443	3.246	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)C2)cc1F	261393222	HFYVIZTUBLTDKR-ZDUSSCGKSA-N	307.413	3.223	10	20	DGCD	
Cc1n[nH]cc1CN[C@@H](C)c1ccc(Br)cc1O	273539489	XYRJDTLQTLFTTE-VIFPVBQESA-N	310.195	3.037	10	20	DGCD	
COc1cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc(OC)c1	273485489	NCKQUKNXEASKFP-JTQLQIEISA-N	318.329	3.491	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NC[C@@H]2CCOC2)c1O	275272371	CFYLEILCWKQULO-MNOVXSKESA-N	314.223	3.150	10	20	DGCD	
Cc1c(CNC(=O)CCc2cccnc2)n(C)c2ccccc12	548101229	ZNVJQIFGQXBCEH-UHFFFAOYSA-N	307.397	3.131	10	20	DGCD	
CC[C@@H](Nc1cccc(OCC(N)=O)c1)c1ccc(C)cc1O	280119690	OEWWIRUNXAXLJU-MRXNPFEDSA-N	314.385	3.128	10	20	DGCD	
COc1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1O	809739751	CVVJRSVVBXVLPC-UHFFFAOYSA-N	322.748	3.252	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccc(F)cc1	808094551	UMIRJRDZALXQNI-UHFFFAOYSA-N	322.376	3.266	10	20	DGCD	
Cc1ncsc1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837642	ZCYPANBIMQFMBL-UHFFFAOYSA-N	317.197	3.394	10	20	DGCD	
CN(C)[C@@H](CN[C@@H]1CCc2cccc(O)c21)c1cccs1	295992083	NTQKXIJTGTXCKK-KGLIPLIRSA-N	302.443	3.334	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C(C)=O)cs1	808095285	XETMWJKSZZIOCL-UHFFFAOYSA-N	324.398	3.072	10	20	DGCD	
CC[C@@H]1CC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1	806132962	DNEYRTOWOXCZOP-IEBWSBKVSA-N	302.462	3.174	10	20	DGCD	
C[C@@H](N[C@H]1CCN(c2ccccc2F)C1)c1ccccc1O	293272386	CLLOBTSVIWPFIG-KGLIPLIRSA-N	300.377	3.461	10	20	DGCD	
COC(=O)c1cnc(SCc2sc(C)nc2C)s1	295409189	XGAMNMFQOZDRBV-UHFFFAOYSA-N	300.430	3.295	10	20	DGCD	
c1cncc(CN(Cc2ccc(N3CCOCC3)cc2)C2CC2)c1	809762834	BSZBKSXGTXNNEM-UHFFFAOYSA-N	323.440	3.083	10	20	DGCD	
C[C@@H](N[C@@H](CN)C1CC1)c1ccc(N2CCCCC2)c(F)c1	817960336	MEDDDHKQAIFTFB-DYVFJYSZSA-N	305.441	3.204	10	20	DGCD	
CCCOc1ccccc1NC[C@H](O)COCc1ccccc1	819398395	MEYVAKXTZQXEQK-KRWDZBQOSA-N	315.413	3.465	10	20	DGCD	
CN(C)[C@@H]1CCC[C@H](NCc2cc(Cl)c(F)cc2O)C1	816554812	JRVSQAMWKUHYON-NWDGAFQWSA-N	300.805	3.147	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)cc(F)c2)c1	728981152	UILCNKPEUYMZJN-VIFPVBQESA-N	307.296	3.170	10	20	DGCD	
COc1cccc([C@@H](O)CNCc2cc(Cl)c(C)cc2O)c1	825283783	SXUCAQCJDWGEHJ-KRWDZBQOSA-N	321.804	3.186	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](C(C)C)[C@H](CO)C(C)C)c1	824846601	UMFCZHGETNGZJU-SJLPKXTDSA-N	309.450	3.170	10	20	DGCD	
Cc1cc(O)c(CN2CCC(c3cn[nH]c3)CC2)cc1Cl	824605294	HJWRDCHXKHACRF-UHFFFAOYSA-N	305.809	3.457	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCC(=O)c2ccccc21)c1ccccc1O	827946780	RLPZBEAXXSCIAQ-WBMJQRKESA-N	309.365	3.330	10	20	DGCD	
C[C@H]1C[C@@H](N[C@@H]2Cc3ccccc3[C@H]2O)c2c(O)ccc(F)c21	903441153	YGNKJFQXSIWOHS-MIBCPZNCSA-N	313.372	3.328	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)Cc2ccc(C)cn2)c1O	831053194	AXSAFGDLOBVRFS-UHFFFAOYSA-N	302.349	3.069	10	20	DGCD	
CC[C@@H](NC[C@H]1CCN1C)c1ccc(C(F)(F)F)cc1O	903317396	KFYCSRYBNRXHRZ-DGCLKSJQSA-N	302.340	3.156	10	20	DGCD	
O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cc(O)cs1	731869901	QKRZWVYDERMZNG-UHFFFAOYSA-N	318.276	3.042	10	20	DGCD	
C[C@]12CCN(C(=O)Nc3ccc(N)cc3)C[C@H]1C2(Cl)Cl	841299810	OOBSZPUYJBZUOH-YPMHNXCESA-N	314.216	3.316	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](C)Cc2ccccn2)c1O	848925705	DEKUJYKWNFHEOX-LLVKDONJSA-N	306.793	3.170	10	20	DGCD	
C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(N(C)C)cc1	914689132	CTFMQHZLCZAUTA-CQSZACIVSA-N	309.413	3.413	10	20	DGCD	
Cc1cccc(C2(C(=O)NCc3ccc(O)cc3O)CCC2)c1	910951102	BDWCLHXOLXXDPR-UHFFFAOYSA-N	311.381	3.144	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(CC)(CC)CO)cc1F	847475095	CLTUCAQRVSUQDO-UHFFFAOYSA-N	324.440	3.087	10	20	DGCD	
CCOc1ccc(O)c(CN(CCCN)CC2CCCC2)c1	843124049	ULQMJLXEGILTEF-UHFFFAOYSA-N	306.450	3.132	10	20	DGCD	
Cc1sc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1C(=O)O	844211633	DXIXXMGRSXMRTI-VIFPVBQESA-N	305.403	3.389	10	20	DGCD	
C[C@@H](CNC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1	841042739	NCJUYZMWKSZEES-IFXJQAMLSA-N	315.436	3.285	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2CCCN3CCCC[C@@H]23)c1O	848568258	CFTVSVIUGPYGNU-BPUTZDHNSA-N	304.434	3.068	10	20	DGCD	
CCOc1cccc(CN2CC3(CCOCC3)[C@@H]2C(C)C)c1O	840968608	ATEUXVZXDPJICD-SFHVURJKSA-N	319.445	3.428	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCS[C@H](c2ccccc2)C1	846660176	DMHGJBHBUUYJMZ-AWEZNQCLSA-N	305.424	3.384	10	20	DGCD	
CN(CC(=O)N1CCCCC1)c1ccc(-c2nccs2)cc1	846995185	YOUOPKLWRVOUFA-UHFFFAOYSA-N	315.442	3.259	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C2(C)CCCC2)cc1	844853359	WKGIUOSOTSTMIB-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
CN1Cc2ccccc2[C@H](NCc2ccc3c(c2)CCCO3)C1	921934532	DZASHRWUAMIVER-LJQANCHMSA-N	308.425	3.288	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H](C3CCCCC3)C1)[C@@H](O)CO2	853553348	DNUDELYALYGMKL-KSSFIOAISA-N	317.429	3.220	10	20	DGCD	
Cc1ccc([C@H](C)NCCCN2C[C@H](C)O[C@@H](C)C2)c(O)c1C	756365519	ASGZRZSYYAFZNM-ZOBUZTSGSA-N	320.477	3.159	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)c1	858147931	DWWFATQLFPVJOK-WFASDCNBSA-N	314.385	3.416	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccnc(CO)c2)cc1F	858403663	IWHJTRQQUGNPTD-UHFFFAOYSA-N	303.381	3.171	10	20	DGCD	
CCn1nc(C)c(CN[C@@H](C)c2cc(OC)ccc2O)c1C	756533728	HJRDHDHPBSAKGA-NSHDSACASA-N	303.406	3.085	10	20	DGCD	
Cc1cnc(NCc2cccc(Br)c2O)nc1C	764933967	GYFVKLFWLIIGQO-UHFFFAOYSA-N	308.179	3.174	10	20	DGCD	
CN1CCN(Cc2c(O)cccc2Cl)Cc2ccccc21	769320841	YKLZBQARHUXRIC-UHFFFAOYSA-N	302.805	3.498	10	20	DGCD	
Cc1ccc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)c(O)c1O	762370456	WQGROPHVHXOWTE-UHFFFAOYSA-N	323.751	3.471	10	20	DGCD	
CCC[C@@H](CNCc1ccc(N2CCSCC2)cc1)OC	876942949	JUMUCXCEYQLBCO-KRWDZBQOSA-N	308.491	3.145	10	20	DGCD	
CC(C)(C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F	779525780	RTDMYVMNBMFVTN-VUDGCMKMSA-N	317.307	3.204	10	20	DGCD	
CO[C@@]1(C(F)(F)F)CCCN(Cc2ccc(C)cc2O)C1	877460746	UKQQVOHCBRQPHU-AWEZNQCLSA-N	303.324	3.244	10	20	DGCD	
Cc1cnc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1	770614080	CQQDUFFUKMEVPE-GJZGRUSLSA-N	315.417	3.231	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876525966	NYAHLDBVEGJARN-HZPDHXFCSA-N	302.462	3.126	10	20	DGCD	
CCCCCCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775836197	KPFGTSIUNKXXSM-OAHLLOKOSA-N	305.466	3.100	10	20	DGCD	
C[C@H]1C[C@@H](NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2c(O)ccc(F)c21	873263693	KBPUHFMBMOKQLK-DKBOKBLXSA-N	304.409	3.200	10	20	DGCD	
COc1cc(CN[C@H](C)c2ccccc2O)c([N+](=O)[O-])cc1F	879649394	QDDSYSBTPJMFKU-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCOC[C@H]1c1ccco1	775695907	SXJWDSDLQGPMTA-ZDUSSCGKSA-N	311.740	3.351	10	20	DGCD	
COC(=O)CC[C@H]1CCCN(Cc2cc(C)c(C)cc2O)C1	877818028	CMYAJLMFJWJNDZ-OAHLLOKOSA-N	305.418	3.174	10	20	DGCD	
COCOc1ccc(OC)cc1CN[C@H](C)c1ccccc1O	877756473	KRRXUZQHKHGPDY-CYBMUJFWSA-N	317.385	3.234	10	20	DGCD	
Cc1cccc(O)c1CN1CC[C@]2(CC(=O)c3ccccc3O2)C1	877589000	FCHMTKFFECZCKU-FQEVSTJZSA-N	323.392	3.311	10	20	DGCD	
CC[C@H](N[C@H](C)CN1CCCC1=O)c1cc(Cl)ccc1O	775491292	HQHFFXBCJOBNRS-RISCZKNCSA-N	310.825	3.097	10	20	DGCD	
COc1cc(O)c(CNC2CCC(F)(F)CC2)cc1OC	776254078	RMXIQUUZIRZREG-UHFFFAOYSA-N	301.333	3.077	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773014283	LGCMGAMWDBDHED-NEPJUHHUSA-N	315.417	3.338	10	20	DGCD	
Cc1cccc2c1CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2	779512216	OKOLCLDCQKOXLO-VURMDHGXSA-N	309.365	3.004	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ncccn1	888697771	FCTUQXFIEMQAGI-UHFFFAOYSA-N	300.362	3.016	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](C)c2c(F)cccc2F)c(O)c1O	780877934	LGGNQRYHEQLURR-VIFPVBQESA-N	307.296	3.175	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)c2cnn(C(C)C)c2)c1O	894251778	ZDCIUUFLZIGXCM-CYBMUJFWSA-N	303.406	3.337	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC2(CCC2)[C@H]1c1cccnc1	898410823	QLTOQQAHBXCFIX-CQSZACIVSA-N	300.383	3.216	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(N3CCCC3)cc2)cn1	1137036431	MJGNIPGTRNTOET-UHFFFAOYSA-N	311.429	3.322	10	20	DGCD	
Oc1cc(Br)ccc1CNCC[C@@H]1CCCCO1	691476515	KMXBPKKMELTOAB-ZDUSSCGKSA-N	314.223	3.204	10	20	DGCD	
Cc1ccc(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)c(O)c1O	791188026	GIRKMLRVZDZXTA-ZDUSSCGKSA-N	319.401	3.018	10	20	DGCD	
C[C@@H]1CC(NCc2ccc(Br)cc2O)C[C@@H](C)O1	694769620	GUKAYSYVDHGHSO-NXEZZACHSA-N	314.223	3.200	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1	1338750257	LOIKOGKSGROCIL-NWDGAFQWSA-N	318.446	3.266	10	20	DGCD	
Nc1ccc(OC(=O)COc2ccccc2Br)cc1	1580449852	WTUOLOKZJLHJBL-UHFFFAOYSA-N	322.158	3.016	10	20	DGCD	
Cc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(C)c1O	8117814	HQGUNIKFDMFJSQ-UVTDQMKNSA-N	316.426	3.465	10	20	DGCD	
CN1C(=O)CCc2cc(C(=O)CSc3nccs3)ccc21	155425384	UOWYJTVEESZLHX-UHFFFAOYSA-N	318.423	3.027	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCCOCc1ccccc1	65308962	USWADEXSAZEQLY-UHFFFAOYSA-N	313.397	3.348	10	20	DGCD	
CCO[C@H]1CCCN(Cc2c(O)cccc2Br)C1	707145816	HPNQETCYJQMENT-NSHDSACASA-N	314.223	3.156	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN1C2CCC1CC2	715792224	ADCAOUMYSTZZBH-UHFFFAOYSA-N	300.171	3.421	10	20	DGCD	
COCCCCN(C)Cc1cc(Br)ccc1O	397104127	GDXICRCLLYMTSK-UHFFFAOYSA-N	302.212	3.013	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC3=NCCS3)c2C)c1	57984710	MWFLXXWHWHTDKR-UHFFFAOYSA-N	313.426	3.235	10	20	DGCD	
Cc1cc(O)c(CN2CCCN(C3CCCC3)CC2)cc1C	172511488	USCOEHWYJBKVDB-UHFFFAOYSA-N	302.462	3.459	10	20	DGCD	
Cc1noc([C@H]2CCCN(Cc3cccc(Cl)c3O)C2)n1	179755860	HYEIOFBPYDPRKW-LBPRGKRZSA-N	307.781	3.117	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc(C)nc3ccccc23)c1	172042257	LLQLYZATVAPYFA-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccnc1Cl	115279691	WOAKVLTVMCFFSC-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	180669732	PEPOGYSJZVFRFP-IOCXFXADSA-N	303.383	3.392	10	20	DGCD	
C[C@@H]1CCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])[C@@H]1C	314964988	BAIFWHKRGMKPRW-RQDOONKYSA-N	304.346	3.317	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2ccc(C)cc2)c1	182317436	KDCDXFOPWCFHGU-AWEZNQCLSA-N	301.386	3.439	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1c(F)cccc1F	84406005	FJNNKXBMXQGYJG-UHFFFAOYSA-N	317.335	3.479	10	20	DGCD	
C[C@@H](NCCCOC(F)F)c1cc(Br)ccc1O	194033601	GLFVRKSEPARSHL-MRVPVSSYSA-N	324.165	3.435	10	20	DGCD	
O=C(O)C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O	86791734	JLYOKXDXBKUTDN-JTQLQIEISA-N	304.173	3.138	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H]2CCN(CC(F)(F)F)C2)c(O)c1	193503691	FTOANGTWHQKDBA-STQMWFEESA-N	316.367	3.235	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CC[C@@H]1c1ccc(Cl)cc1	366167473	BLFZSDSJVPKFPJ-CYBMUJFWSA-N	303.745	3.338	10	20	DGCD	
C[C@H](N[C@@H](C)c1nncn1C)c1ccc(Cl)c(Cl)c1O	273568658	KDSLJHUWDRDUCR-YUMQZZPRSA-N	315.204	3.239	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C1SCCS1	282561790	UHDDYRJIUSGRBQ-UHFFFAOYSA-N	311.472	3.327	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCOC1	282362283	BMFFFIZVEFHGLD-HNNXBMFYSA-N	305.418	3.338	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Br)ccc2O)CCCO1	281360838	UWKFZYQBIQNYHC-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)OC[C@@H]1CCCO1	805134905	BUVXOCQSYFZVIC-JTQLQIEISA-N	320.172	3.104	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@@H]3CN(C)CC[C@@H]32)c(O)c1	290401512	JJUAJSPHJCFYOK-QAPCUYQASA-N	318.461	3.097	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H](CC)OC	291464323	MIABBAOEPVEZHJ-HNNXBMFYSA-N	308.422	3.129	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@@H](O)C(F)(F)F)cc1F	809750553	AAEMGZQFFNHYGV-CQSZACIVSA-N	322.346	3.027	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1C[C@H](c2ccc(F)cc2)C1	292915229	XJHOYUKOCKAVMJ-KOMQPUFPSA-N	314.360	3.277	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccccc1N1CCCC1	299550918	XKXSXWBOKUFGEO-UHFFFAOYSA-N	311.385	3.314	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1O	815583040	VNHUGXZMNCUXPU-VDDIYKPWSA-N	323.380	3.174	10	20	DGCD	
C[C@H]1CCCN(C[C@H](C)NCc2cc(Cl)c(F)cc2O)C1	816538218	JJCPUWWQDWKWGT-RYUDHWBXSA-N	314.832	3.395	10	20	DGCD	
CC[C@H](NCC[S@](=O)CC)c1ccc(C(F)(F)F)cc1O	810218177	PEWLDCLXCJBGIF-LAJNKCICSA-N	323.380	3.220	10	20	DGCD	
CC[C@@H](C)[C@@](C)(O)CNCc1ccc(Br)cc1O	825265931	GCBFIUPIPZCORJ-YGRLFVJLSA-N	316.239	3.041	10	20	DGCD	
CS[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1	824683846	XKEHJTKLJLDREA-LBPRGKRZSA-N	316.264	3.400	10	20	DGCD	
CC1(C)CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	823671335	LYPKFUZZYFEOLF-OAHLLOKOSA-N	306.425	3.331	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CN[C@H](C)c3cn(C)nn3)c2C)c1	903069040	BGCKAYDZLGPXEV-OAHLLOKOSA-N	323.444	3.382	10	20	DGCD	
CCC1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1	734687885	WZCQRBJRGIVUGR-UHFFFAOYSA-N	303.450	3.393	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2C)[C@H]1SC	838947009	BGGTYRQEZGOYFG-GVDBMIGSSA-N	308.491	3.060	10	20	DGCD	
CCN(CC)c1ccc(CN(CCC(=O)O)CC(C)C)cc1	901595280	MTVLCLYWEIBKNG-UHFFFAOYSA-N	306.450	3.466	10	20	DGCD	
COc1cccc(CNC(=O)NCC(C)(C)C(C)(C)C)c1O	838602540	WEJYFNXQTZWETL-UHFFFAOYSA-N	308.422	3.272	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)C2(OC)CCOCC2)cc1	834517955	AYZWOEWQIOOKGJ-INIZCTEOSA-N	320.477	3.207	10	20	DGCD	
CSCC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	913926604	HUZHLMQTKDAIQB-UHFFFAOYSA-N	321.490	3.037	10	20	DGCD	
CC(C)OC(=O)CCN(C)Cc1ccc(N2CCCCC2)cc1	743839767	YBLGUJKYEKXXBS-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@]1(CO)C[C@@H]1c1ccccc1	840946430	JYFFPOVEGQOAJZ-NHCUHLMSSA-N	324.468	3.317	10	20	DGCD	
COc1cc(CN(C)[C@H]2C[C@H](OC)C23CCC3)c(O)cc1C	840143656	WERQOAUXDSAHEL-IRXDYDNUSA-N	305.418	3.099	10	20	DGCD	
C[C@@H](NCCCSc1nccs1)c1cc2n(n1)CCC2	840722717	KHQOQGAHSIGKGP-LLVKDONJSA-N	308.476	3.119	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](N2CCCC2)C[C@@H]1C	840948680	XWFMUCCXFUUPIK-LPHOPBHVSA-N	301.478	3.120	10	20	DGCD	
Cc1cc(CN2Cc3ccccc3[C@@H](C(=O)O)C2)ccc1N(C)C	846270820	NRUOCNPFPIVCGC-SFHVURJKSA-N	324.424	3.245	10	20	DGCD	
Cc1cnc(CN(C)Cc2ccc(N3CCCCC3)cc2)cn1	750282037	KISHZUNETAWGII-UHFFFAOYSA-N	310.445	3.407	10	20	DGCD	
C[C@H](NCCC(C)(C)N)c1cc(Br)cc(F)c1O	925736774	BZOUPTDBTDPWSF-QMMMGPOBSA-N	319.218	3.072	10	20	DGCD	
Cc1cccc(OCCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	756458425	WCNMLPJZDJNUJC-ZDUSSCGKSA-N	316.357	3.338	10	20	DGCD	
COc1cc(CNC[C@@H](C)N(C)C2CC2)c(O)c(C(C)(C)C)c1	850121181	OBJFJBLHGONBAY-CYBMUJFWSA-N	320.477	3.271	10	20	DGCD	
CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1	756923030	BJZVCEDHPLZANT-QZTJIDSGSA-N	316.445	3.251	10	20	DGCD	
COc1ccccc1N(C)C(=O)/C=C/c1ccc(Cl)nc1	758544344	BEFXIAFFRBFBIB-CSKARUKUSA-N	302.761	3.420	10	20	DGCD	
C[C@@H](NC(=O)N[C@H](C)c1c(F)cncc1F)c1ccccc1O	868605473	DUEQUWQSGPLIDF-NXEZZACHSA-N	321.327	3.187	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)c1cccc(O)c1	932943785	OOFRFWHNHRKSFM-CQSZACIVSA-N	312.413	3.187	10	20	DGCD	
COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(O)cs1	768731288	CHKGDIXVXOYYNG-GFCCVEGCSA-N	317.410	3.312	10	20	DGCD	
Cc1cc(CN(C)Cc2ccccc2O)ncc1Br	862227893	JIUBIKHWRFRTSS-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1c1ccccc1)[C@H](O)CO2	768441432	LNUKAKRRNSFNSB-FUHWJXTLSA-N	311.381	3.155	10	20	DGCD	
CCC[C@H]1CC(=O)N(CN2CCCc3cc(OC)ccc32)C1	766341919	URBKEPXSCLGQQQ-AWEZNQCLSA-N	302.418	3.054	10	20	DGCD	
Cc1ccc(SCCC(=O)NCc2ccccc2O)cc1	769366291	XVUWHQCGJMHKDX-UHFFFAOYSA-N	301.411	3.499	10	20	DGCD	
CC(C)[C@H]1CCCN1Cc1ccc(N2CCC(O)CC2)cc1	876579485	SUOXROOQEPRDTA-LJQANCHMSA-N	302.462	3.268	10	20	DGCD	
CCCOc1ccc(CN[C@H](CC(F)F)C(=O)OC)cc1C	877468739	FLOITLJYXXNIRM-CYBMUJFWSA-N	315.360	3.070	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]cc2C2CC2)c1	878730942	UXWQEXYOYQMAMZ-JTQLQIEISA-N	300.358	3.097	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)c1O	774888669	RTOBALZHAQPIEK-MBNYWOFBSA-N	320.389	3.462	10	20	DGCD	
COc1nc(C)cc(C)c1CN[C@H](C)c1c(O)cccc1F	886522429	JABXLQODTNEFFH-GFCCVEGCSA-N	304.365	3.403	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H]3[C@@H](CCCN3C)C2)cc1	770350970	HJPYXURMEHTWAI-ICSRJNTNSA-N	315.505	3.449	10	20	DGCD	
Cc1ccc(O)c(CNc2cc(N3CCNC3=O)ccc2C)c1	785547292	MIRVXIYZVMVTTE-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)C1=Cc2ccccc2CC1	780838002	OPBAENHWAUTPHB-UHFFFAOYSA-N	319.357	3.260	10	20	DGCD	
C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)Cc2ccccc21	892038439	FIRMFLIVQVFEIY-AWEZNQCLSA-N	309.413	3.140	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@@H](C)NC(=O)C2CCC2)cc1C	1133464672	CGOXCLDXPTZQGX-HUUCEWRRSA-N	318.461	3.177	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](OC)c2ccccc2)c1O	894199827	QWJPWXUFNNWYDU-QGZVFWFLSA-N	301.386	3.187	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O	796735948	BCHONCGTRYXNIP-WCQYABFASA-N	320.330	3.209	10	20	DGCD	
COc1ccc(CNCc2cnc(-c3ccccc3)nc2)c(O)c1	793388532	PGJHPVCBRJVQJP-UHFFFAOYSA-N	321.380	3.148	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C[C@H](C)CC)CC2)cc1	1320818093	VRYGGJXAQLWCKZ-OAHLLOKOSA-N	304.434	3.170	10	20	DGCD	
COc1ccc(N(C)Cc2cn(C)nc2C(F)F)c(OC)c1	1320342386	VCQSECYOEWVQJE-UHFFFAOYSA-N	311.332	3.011	10	20	DGCD	
CC(C)(CNC(=O)NCc1ccc(N)cc1)c1ccccc1F	1335987581	YBNMEIFNVVLRLY-UHFFFAOYSA-N	315.392	3.185	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cc(C(C)(C)C)nn2C)c1	1331696612	IQXWZEPFUBWTMG-UHFFFAOYSA-N	316.405	3.053	10	20	DGCD	
COc1ccc(CCCNCc2ccc(N)cc2)cc1OC	1345159102	BGWWBTGWYCVSBV-UHFFFAOYSA-N	300.402	3.008	10	20	DGCD	
COc1ccc(N(C)Cc2cccc(C(=O)O)c2)c(OC)c1	1607267921	NFNQFENXNUMVAM-UHFFFAOYSA-N	301.342	3.038	10	20	DGCD	
Cc1cc(CN[C@H]2CCC[C@H]2C(=O)O)ccc1N1CCCCC1	1600211587	BQABHJFYTATZCW-SJORKVTESA-N	316.445	3.328	10	20	DGCD	
C[C@@H](C1CC1)n1cc(N[C@H](C)c2cc(C(=O)O)ccc2O)cn1	1609786397	QHTWNSHRTYOJAW-MNOVXSKESA-N	315.373	3.431	10	20	DGCD	
CC[C@]1(C(=O)O)CCCN(Cc2cc(Cl)c(F)cc2O)C1	1573823079	YHJZUFBRWLZVNO-HNNXBMFYSA-N	315.772	3.262	10	20	DGCD	
CCN(Cc1ccc(C(=O)O)cc1)c1ccc(OC)c(OC)c1	1589736123	HAYULTUIWGYNJY-UHFFFAOYSA-N	315.369	3.429	10	20	DGCD	
CC[C@H](NCCCOC[C@@H]1CCOC1)c1ccc(N(C)C)cc1	158212792	BRUNNPZREDULLO-LPHOPBHVSA-N	320.477	3.237	10	20	DGCD	
C[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1	112803347	RJAIEJIGUGKRSH-GUYCJALGSA-N	322.424	3.103	10	20	DGCD	
Cc1cccc(CN(Cc2ccco2)C[C@H]2CCCO2)c1O	179838422	BAOJNDVTJCWSCL-QGZVFWFLSA-N	301.386	3.475	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)c1ccc(C)cc1	127040582	CYUIRWZTBVURQK-UHFFFAOYSA-N	324.424	3.292	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cccc(F)c2C)c1	72600679	FWVRTCHSLGBWLN-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
Cc1ccc(O)c(CNc2nnc([C@@H]3Cc4ccccc4O3)o2)c1	181753484	PIOXMLDOLUMWDR-INIZCTEOSA-N	323.352	3.372	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(C#N)cc2F)c1	182361071	RPUCGTLPABGKMK-LLVKDONJSA-N	300.333	3.262	10	20	DGCD	
CCC[C@H](CC)NC(=O)NCc1ccc2c(c1)CCCN2C	195737473	QYAQFVKLMIOSLS-INIZCTEOSA-N	303.450	3.447	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN[C@@H](C1CCC1)C1CC1	324931156	NRTIVEODZTXEJL-IBGZPJMESA-N	300.446	3.192	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2CCN(CC(F)(F)F)C2)c1	193505536	ABMCZOKPAXVSJV-OLZOCXBDSA-N	316.367	3.235	10	20	DGCD	
COc1cccc2cc(/C=C3/SC(=S)N(C)C3=O)oc12	96935923	RTGYHARSJYLWFS-YRNVUSSQSA-N	305.380	3.272	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1O	246550760	YPSFFKJFFRIPSM-PWNZVWSESA-N	318.417	3.025	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(C2CC2)c1	341161501	PATSEIMYMQCIDM-UHFFFAOYSA-N	323.396	3.064	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)CCc2cccs2)c1O	278253117	PHSDTLFLIXIYPW-UHFFFAOYSA-N	322.386	3.045	10	20	DGCD	
Cc1ccc([C@@H](C)NCCC(=O)N2CCCCCC2)c(O)c1C	273619880	YRGWXBIBOZQDDT-MRXNPFEDSA-N	318.461	3.452	10	20	DGCD	
Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@H](C)c3ccccc3O)n2)c1	279416879	FJOFVZLTFRKAJM-CHWSQXEVSA-N	323.400	3.293	10	20	DGCD	
C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1O	273460966	CSGYXNRULUVTMA-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
CCCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	279939446	QZFBOENIMXJVIZ-UHFFFAOYSA-N	310.781	3.000	10	20	DGCD	
CCOc1ccccc1NC(=O)COc1ccc(N(C)C)cc1	277983781	YRFLIAZTKAFONX-UHFFFAOYSA-N	314.385	3.169	10	20	DGCD	
CCOC(=O)CC1CCN(Cc2cccc(Cl)c2O)CC1	271731561	NDCVDJVEZOHBFX-UHFFFAOYSA-N	311.809	3.211	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCCCSC)c1	274780262	KHLYLUNYNXIGBS-LBPRGKRZSA-N	311.447	3.363	10	20	DGCD	
COc1cccc(CNCc2ccc(OCC(F)F)cc2)c1O	289393950	FLMKOMZKYGCBOY-UHFFFAOYSA-N	323.339	3.335	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)CN(C)C)c1C	805427289	UMAPUNRIVVIPQM-AWEZNQCLSA-N	313.445	3.082	10	20	DGCD	
CN(C)c1ccc(CN(c2nnc(C(F)F)o2)C2CC2)cc1	292463278	KBVWNXWGYQUXIJ-UHFFFAOYSA-N	308.332	3.242	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1O	290347212	FWECSNNYSJKZMH-BHYGNILZSA-N	315.800	3.482	10	20	DGCD	
CC[C@H](NCc1ccc(OC)nc1OC)c1ccc(C)cc1O	290057102	FJODWMIPOKRHKE-HNNXBMFYSA-N	316.401	3.354	10	20	DGCD	
O=C(O)/C=C\c1ccc(N(CC2CC2)CC2CC2)c([N+](=O)[O-])c1	391327510	SAKLOWUKQPDJSX-VURMDHGXSA-N	316.357	3.319	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CNc2ncn(C)n2)cc1	814255380	LLAKLURSRIHKEH-UHFFFAOYSA-N	321.428	3.454	10	20	DGCD	
CSC1(CN[C@H](C)c2ccc(C)c(C)c2O)CCN(C)CC1	810252894	WFHAFVHXYYPDEE-OAHLLOKOSA-N	322.518	3.487	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)ccc2O)c1	729277586	BRNYGVHXHISBPE-SECBINFHSA-N	321.760	3.251	10	20	DGCD	
CC[C@@H](C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819589943	UWIUFFBEHAKVGM-CABCVRRESA-N	304.434	3.074	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1C	825085783	NBRKWKGFBUMSHS-VQIMIIECSA-N	312.413	3.414	10	20	DGCD	
Cc1cc(O)c(CN(C)Cc2ncc(Cl)n2C)cc1Cl	825447501	VLJYCZNHSFZGCI-UHFFFAOYSA-N	314.216	3.373	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1Cl	824913668	WJNMTBBIVIGFEZ-CYBMUJFWSA-N	319.836	3.152	10	20	DGCD	
O=C1CC[C@@H](CN(Cc2ccccc2O)C2CCCC2)CCN1	827813693	YLZJBMZKHHRIII-OAHLLOKOSA-N	316.445	3.053	10	20	DGCD	
CC[C@@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1O	903440798	UGKMKYOJKXGZFQ-JFIYKMOQSA-N	301.361	3.230	10	20	DGCD	
Cc1cccc(N(CC(C)(C)C)C(=O)/C=C/c2cn(C)cn2)n1	905878450	JCEXYCMANFYUML-MDZDMXLPSA-N	312.417	3.216	10	20	DGCD	
CC(C)c1ocnc1C(=O)NCc1ccc2c(c1)CCCN2C	731982103	XINMONWXJXPHII-UHFFFAOYSA-N	313.401	3.110	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc(F)ccc1O	834905959	XBMOMMGZFANRPD-WPKBUWHJSA-N	316.376	3.497	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCCCO2)cc1	837355981	YDPATCZVTVIJEZ-GOSISDBHSA-N	304.434	3.108	10	20	DGCD	
CCN(CCC(=O)O)C(=O)c1sccc1-n1c(C)ccc1C	737097381	RWRUPNTXPPEYTJ-UHFFFAOYSA-N	320.414	3.092	10	20	DGCD	
CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(Cl)c(Cl)c1O	834903225	GOWPRQOZCQJJGL-GGZOMVNGSA-N	320.216	3.154	10	20	DGCD	
C[C@@H](Cc1cnccn1)NCc1ccc(N2CCCCC2)cc1	742722976	DJOBWZNWAMSTOM-INIZCTEOSA-N	310.445	3.188	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCCOCC(F)(F)F	840929054	MOOYLXCGHJPWQC-UHFFFAOYSA-N	304.356	3.120	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1ccsc1	919711158	XXAVYFLTYUGKPV-TWGQIWQCSA-N	300.427	3.486	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](O)c2ccc(C)cc2)c1O	846145289	PFQPSRGKCQSQSY-CJNGLKHVSA-N	301.386	3.093	10	20	DGCD	
CCCC[C@@H](C)N(CCCC)C(=O)C(=O)Nc1ccc(N)cc1	841135104	FECPRNPSIZTQCQ-CQSZACIVSA-N	319.449	3.415	10	20	DGCD	
CC[C@@H](N[C@H](CO)CCF)c1cc(Cl)cc(Cl)c1O	846209671	RYPLDODPZRCIEJ-JOYOIKCWSA-N	310.196	3.460	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)[C@@](C)(OC)C2CC2)c1	840860517	NYYNPTMJLDNRMS-VNBZBWLYSA-N	321.417	3.033	10	20	DGCD	
Cc1ncc(CN[C@@H](C)c2ccc(Br)cc2O)o1	840794070	CITPLIXQWCOARC-QMMMGPOBSA-N	311.179	3.302	10	20	DGCD	
COc1cc(C)cc(CN(Cc2cnn(C)c2)CC(C)C)c1O	840156146	CCCBJLCBONIYCR-UHFFFAOYSA-N	317.433	3.101	10	20	DGCD	
CCN(CCNC(=O)Nc1ccc(N)cc1)c1ccccc1C	841301839	FNUXXFFVAUGHSI-UHFFFAOYSA-N	312.417	3.225	10	20	DGCD	
COCc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1	857548390	LGGTXQPHOMWPCL-UHFFFAOYSA-N	319.788	3.051	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](C)C1	859048827	SICWMYWFXJSRTJ-ZDUSSCGKSA-N	310.397	3.389	10	20	DGCD	
C[C@H](NC/C=C\CO)c1cc(Br)cc(Cl)c1O	850508688	NDDBJKPLYNZLIF-KZUAUGPASA-N	320.614	3.007	10	20	DGCD	
COc1c(N[C@H](C)c2cc(Cl)ccc2O)cccc1C(N)=O	757659904	URQXIGFPZIXKKZ-SECBINFHSA-N	320.776	3.326	10	20	DGCD	
COc1cc(Cl)cc([C@H]2NC(=O)c3c(C)cccc3N2)c1O	758820224	NHUOZNJYFKFBJH-OAHLLOKOSA-N	318.760	3.217	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CCCC12CCOCC2)c1ccccc1O	868582809	MVNFUTMXXHJUOO-CJNGLKHVSA-N	318.417	3.102	10	20	DGCD	
COc1ccc(N(CC(C)C)C[C@@H]2CC3(CC3)C(=O)O2)cc1	763724244	PSISGDAEAZJOSF-INIZCTEOSA-N	303.402	3.253	10	20	DGCD	
Cc1cnc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)nc1	762218096	HVQKLUJRHKISKG-UHFFFAOYSA-N	303.325	3.293	10	20	DGCD	
Cc1cc(C(=O)N(C)c2ccc(N)cc2)c2cnn(C(C)C)c2n1	877077660	QMYNZJLHVYHCKR-UHFFFAOYSA-N	323.400	3.179	10	20	DGCD	
CCN(C(=O)/C=C\c1cnc(OC)nc1)c1cc(C)ccc1C	775807670	UYKOJTZGFRHFFG-HJWRWDBZSA-N	311.385	3.168	10	20	DGCD	
CC1(C(=O)NCCCSc2nccs2)CC(F)(F)C1	874466134	DTWBJPIGCMLSRA-UHFFFAOYSA-N	306.403	3.177	10	20	DGCD	
Cc1cccc(O)c1CNc1cccc(OCCN(C)C)c1	876844262	XUBAICWTVSEIGI-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@]1(C)NCc1cccc(Cl)c1O	779432190	NLCKCGIOSRQTPV-WBMJQRKESA-N	311.809	3.257	10	20	DGCD	
Cc1cnc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1	770614083	CQQDUFFUKMEVPE-HUUCEWRRSA-N	315.417	3.231	10	20	DGCD	
Nc1ccc(OCc2cn(CC3CCC(F)(F)CC3)nn2)cc1	881352567	JMZVEPLFOVJVKZ-UHFFFAOYSA-N	322.359	3.265	10	20	DGCD	
CN(c1ccc(CNC(=O)CCCCO)cc1)C1CCCCC1	771505138	XNJCQJHZTYSILH-UHFFFAOYSA-N	318.461	3.234	10	20	DGCD	
COc1ccc(CN2C[C@@H](C)Oc3ccccc32)c(O)c1OC	893613985	IXSQJRVKMHEULZ-GFCCVEGCSA-N	315.369	3.197	10	20	DGCD	
CC[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H](C)O	789949205	FWZUGWDFGNEFGY-MAUKXSAKSA-N	318.461	3.042	10	20	DGCD	
CCSCC[C@@H](C)N(C)Cc1ccc(OC)c(OC)c1O	892204185	WFXTZHGMTNGIPD-GFCCVEGCSA-N	313.463	3.373	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(OC)c(OC)c2O)cc1	891466830	YJUMOXVLXDQNDV-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
CC[C@H](C)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	790512448	AGVQKYFSVFMZFD-LSDHHAIUSA-N	304.434	3.137	10	20	DGCD	
Cc1cc(C(=O)NCc2ccccc2O)c(C)n1Cc1ccco1	1319456241	QYFLQBSQCJFIGJ-UHFFFAOYSA-N	324.380	3.382	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](C)CO[C@@H]1CCOC1	1321024801	VWGRKGKLUXNEJG-TUVASFSCSA-N	305.418	3.033	10	20	DGCD	
CC(C)(C)c1ccc(CC(=O)NCc2cccc(O)c2O)cc1	1521852850	ZSZLRCHGKTVTEM-UHFFFAOYSA-N	313.397	3.254	10	20	DGCD	
Cc1ccc(O)c(CN[C@H]2CCCN(Cc3ccccc3)C2)c1	113321196	ARONTFPPPCCHRM-IBGZPJMESA-N	310.441	3.455	10	20	DGCD	
Cc1ncccc1/C=C/C(=O)N1CCCc2ccc(C(=O)O)cc21	1600751572	MBOBMKPOUBLMJS-CMDGGOBGSA-N	322.364	3.081	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2nc(C3CC3)cs2)cc1	1520740356	AGNFQXJUISOQJB-UHFFFAOYSA-N	301.415	3.017	10	20	DGCD	
CNCC1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1	1578664430	XMAMNIQVRZZAAL-UHFFFAOYSA-N	320.477	3.130	10	20	DGCD	
CC(C)c1ccc(O)c(CN[C@@H](Cc2ccccc2)C(=O)O)c1	1591974085	MTCUCSFSVCSWIQ-KRWDZBQOSA-N	313.397	3.301	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2CCc3ccccc3C2)cc1	150732624	HNNJPTZEDJDRSP-UHFFFAOYSA-N	324.424	3.106	10	20	DGCD	
CCOc1ccc(N(C)Cc2nc([C@H](C)OCC)no2)cc1	150733419	KJQDSWRFCUOJAV-LBPRGKRZSA-N	305.378	3.202	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21	155585778	WRRHTINZKVBPJV-SCTDSRPQSA-N	322.408	3.120	10	20	DGCD	
Cc1cccc(OCCC(=O)NCc2ccc(N(C)C)cc2)c1	8171075	UVVNMMKHJJNLRH-UHFFFAOYSA-N	312.413	3.146	10	20	DGCD	
CC(C)OCCCN(Cc1ccccc1O)C[C@@H]1CCCO1	119488924	YLJQGZDGVNJHJI-KRWDZBQOSA-N	307.434	3.188	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)CC(C)(C)C)C2)cc1	62575113	OIMBXBCJYZDOQS-CQSZACIVSA-N	304.434	3.074	10	20	DGCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncncc1Cl	302643596	LUTNRJHONUPFND-ZDUSSCGKSA-N	319.792	3.021	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)Nc1nc2ccccc2s1	176499919	SOTLOXJSTBRMBT-UHFFFAOYSA-N	315.354	3.029	10	20	DGCD	
CCN1CCN(c2cccc(NC(=O)c3ccccc3)c2)CC1	184255028	MWIQWPKGCUKUIW-UHFFFAOYSA-N	309.413	3.081	10	20	DGCD	
C[C@H](O)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	136825130	KXVHPJKKOAEFOO-FUHWJXTLSA-N	302.462	3.270	10	20	DGCD	
Cc1cccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1	145466757	SRWKUENCURXQCN-MRXNPFEDSA-N	324.424	3.323	10	20	DGCD	
CN1CCC(N2C(=O)/C(=C\c3cccs3)SC2=S)CC1	255867449	RJIUAYCLTJTZPF-FMIVXFBMSA-N	324.496	3.044	10	20	DGCD	
COc1ccc2c(c1)[C@@H](NCc1cccc(OC)c1O)CCO2	274228063	DDYTXKHIIRRFTC-HNNXBMFYSA-N	315.369	3.023	10	20	DGCD	
C[C@@H](NCc1cccc(N2CCOCC2)c1)c1ccccc1O	293564767	AUOAEWJODDTZFK-OAHLLOKOSA-N	312.413	3.080	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](C)N2CCCCC2)cc1	386966188	XGDQPCPOLBGDRH-QGZVFWFLSA-N	303.494	3.497	10	20	DGCD	
CC[C@H](C)n1c(SCC(=O)C(C)=O)nnc1-c1ccccc1	808021139	BCJIDRZNLJXMMH-NSHDSACASA-N	317.414	3.166	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)c(O)c1	815571876	PEMQXWDXPRAWDY-CHWSQXEVSA-N	316.367	3.296	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)OC2CCOCC2)C2CC2)cc1	810042989	NLPXQKLAUFPMTH-UHFFFAOYSA-N	318.417	3.033	10	20	DGCD	
C[C@H](NC[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1O	817948879	FDHANRQFOUPTRQ-QWRGUYRKSA-N	302.340	3.204	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H](C(=O)O)CC[C@@H]2C)cc1F	817881422	RRPAVWBKWIJEAY-DZGCQCFKSA-N	322.424	3.357	10	20	DGCD	
Oc1c(CN2CCC3(CC2)OCCCO3)ccc2ccccc12	816645356	RUXOMGZEQKJKDN-UHFFFAOYSA-N	313.397	3.274	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cccnc1Cl	817941939	LUNGQRWIAAOAGU-MLGOLLRUSA-N	318.852	3.152	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCc2cccc(Cl)c21	729652051	LVVSLDKYBJWYGH-PLNGDYQASA-N	302.736	3.477	10	20	DGCD	
CC(C)C[C@H](O)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	815572257	YLFYJAMSPZONJC-QWRGUYRKSA-N	305.340	3.469	10	20	DGCD	
CCOC(=O)C1CCN(Cc2cc(Cl)c(C)cc2O)CC1	824484599	NOFONKFVPCGSPZ-UHFFFAOYSA-N	311.809	3.129	10	20	DGCD	
Oc1ccccc1CN(Cc1ccco1)Cc1cnc2n1CCC2	824474350	NMCRKXLEUKSMHX-UHFFFAOYSA-N	323.396	3.330	10	20	DGCD	
C/C(=C/C(=O)N1C[C@H](C)Oc2cc(C)ccc21)c1cnccn1	826836934	LLUFZLUWRUFOLK-XXYUJHKVSA-N	309.369	3.002	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@H](C)C1	734526788	UHRJQHIYZFUYSC-BBRMVZONSA-N	303.450	3.439	10	20	DGCD	
CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2cc(O)cs2)cc1	734868704	JQPPSLQGAQFNLG-AWEZNQCLSA-N	319.426	3.215	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@](C)(C(=O)O)C2)cc1F	901701646	USHOJKAWUMLAGD-SFHVURJKSA-N	322.424	3.359	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCC(C)(C)C2)cc1	832266832	JLZLTGDGJGDSHT-RDJZCZTQSA-N	317.477	3.085	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)CCC=C(C)C)c1	838474260	HYVQMWOVAJYVKH-ZDUSSCGKSA-N	306.406	3.335	10	20	DGCD	
Cc1cnc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c(C)c1	848561422	YUYZNACIUPKMLM-ZDUSSCGKSA-N	315.373	3.206	10	20	DGCD	
COc1nc(N[C@@H](C)c2ccc(N(C)C)cc2)ccc1C(=O)O	844211975	MXORULFFJCTKNY-NSHDSACASA-N	315.373	3.028	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCCC2(CCOCC2)C1	840916656	COXJTWURPMEEKY-UHFFFAOYSA-N	302.462	3.454	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)N[C@@H]3CC=CCC3)cs2)cc1	846685124	ZMQATZPBWBPMHJ-CQSZACIVSA-N	313.426	3.155	10	20	DGCD	
CCCOc1ncccc1CNCc1cccc(CC)c1O	848894913	NUPYJCIAFQRFGM-UHFFFAOYSA-N	300.402	3.428	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](O)c2cc(C)cc(C)c2)c1O	846168331	SEPISCSRWPZLDZ-YOEHRIQHSA-N	315.413	3.402	10	20	DGCD	
COc1ccc(N(C)Cc2csc(-c3cnn(C)c3)n2)cc1	844353073	FUUFDBYEUMJCHJ-UHFFFAOYSA-N	314.414	3.189	10	20	DGCD	
COc1ccc(CN[C@H](CCc2ccccc2)C(=O)O)cc1C	841796150	OAUBAVWEQQKOCY-QGZVFWFLSA-N	313.397	3.179	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](CO)c2c(F)cccc2F)c1O	846151696	DWNKRUIXENPILP-HZMBPMFUSA-N	323.339	3.063	10	20	DGCD	
COc1ccc(N2CCCN(CCCCCCCN)CC2)cc1	844222098	UGRWXDNJFYGCCE-UHFFFAOYSA-N	319.493	3.117	10	20	DGCD	
CC(C)(C)C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	841956165	XEQPNJOKVKUNCD-OAHLLOKOSA-N	303.450	3.279	10	20	DGCD	
CO[C@@](C)(C1CC1)[C@@H](C)NCc1cc(F)c(N(C)C)cc1F	858177296	OBSQOWVHXHHDSW-PIGZYNQJSA-N	312.404	3.324	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1cccc2c1CCNC2	852744679	GSZHMSPZSCSLTR-UHFFFAOYSA-N	310.441	3.450	10	20	DGCD	
C[C@H]1C[C@@H](NCCCCn2ccnc2)c2c(O)ccc(F)c21	756458238	KQTADRPKFDZNAU-GXTWGEPZSA-N	303.381	3.346	10	20	DGCD	
COC(=O)[C@H](CC1CCCCC1)NCc1cc(OC)ccc1O	756147825	WJZSWKSDGROBML-INIZCTEOSA-N	321.417	3.002	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CC2CC2)c1	858625959	HZKDRKYROPGVJM-UHFFFAOYSA-N	310.397	3.389	10	20	DGCD	
CC(C)(C)c1cnc(SCCCN2CCOC2=O)s1	759718270	LXNNCZQGXWJCKZ-UHFFFAOYSA-N	300.449	3.375	10	20	DGCD	
CC(=O)c1ccc(NCc2cccc(Br)c2O)nc1	764934079	IVFROXOFXHEWDF-UHFFFAOYSA-N	321.174	3.364	10	20	DGCD	
Cc1cccc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)c1O	763453373	RLOGVCJDRKHPLY-HKUYNNGSSA-N	315.388	3.096	10	20	DGCD	
Cc1ccc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)c1	877389574	DLPHIMPSLWNSDX-HNNXBMFYSA-N	317.351	3.226	10	20	DGCD	
C[C@H](c1ccccc1)N(CC[N+](=O)[O-])Cc1ccccc1O	1119767838	ADAKBAIMOYTPIH-CQSZACIVSA-N	300.358	3.232	10	20	DGCD	
c1cc(N2CCSCC2)ccc1CNCC1CCSCC1	876944087	YBZXVHHTXQWIGQ-UHFFFAOYSA-N	322.543	3.473	10	20	DGCD	
C[C@H](NC(=O)CCc1nccs1)c1ccc(N(C)C)cc1	773022574	VSXNFOGTGKWLFQ-LBPRGKRZSA-N	303.431	3.019	10	20	DGCD	
Cc1cccc(O)c1CN1CCN(c2nc(C)c(C)s2)CC1	876769055	RBHHUMSVQXQMQA-UHFFFAOYSA-N	317.458	3.096	10	20	DGCD	
COC(=O)c1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1)CC2	779597960	IBTADRNCHNYGPW-UHFFFAOYSA-N	324.424	3.098	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@@H]4CCC[C@H]43)cc2)CC1	775660239	BAGCJBDZDROWFW-AZUAARDMSA-N	313.489	3.203	10	20	DGCD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(O)c(O)c1	778927067	JQOMVCPZTKIAKL-LLVKDONJSA-N	319.788	3.246	10	20	DGCD	
CC[C@H]1CN(Cc2cccc(Cl)c2O)[C@H](CC)CN1C(C)=O	775720271	KPMKHXMBXUQURR-CABCVRRESA-N	324.852	3.267	10	20	DGCD	
CC[C@H](N[C@@H](CO)C[C@H]1CCCO1)c1cccc(Cl)c1O	886670387	NWTLAAHDIXNGIK-JMSVASOKSA-N	313.825	3.016	10	20	DGCD	
CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1	772454729	JTOLPLBUTVUGPA-TZMCWYRMSA-N	307.413	3.364	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NC[C@@H]2C=CCC2)C2CC2)cc1	883835044	YKBYHUZPJOYQIK-OAHLLOKOSA-N	313.445	3.393	10	20	DGCD	
C[C@H](NC[C@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1	883246854	UBVAQEIQVJUHOM-GJZGRUSLSA-N	304.409	3.279	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)COc2cnn(C)c2)c1C	788506773	XMJIQPDQPDVAQS-UHFFFAOYSA-N	323.396	3.398	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)[C@H](O)c2ccc(C)cc2)c1O	894747772	NOHPANYRAPBQDK-KDOFPFPSSA-N	315.413	3.229	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@H](O)c1cc(F)cc(Cl)c1	787330869	FKUYJLNTRRHOFW-HNNXBMFYSA-N	313.731	3.147	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1csc(C2CC2)n1	784288002	WQFUECHZEQLFQN-QHHAFSJGSA-N	317.366	3.188	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccn(C(C)C)n1	797681728	VMZKLGCQAGDVDZ-UHFFFAOYSA-N	315.421	3.160	10	20	DGCD	
COc1cc(C)cc(CNC2CCN(C(C)(C)C)CC2)c1O	894195927	QELFMSKVVIOIAL-UHFFFAOYSA-N	306.450	3.062	10	20	DGCD	
C[C@H]1CC[C@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1	793347293	RWXPPCUQACYHQJ-GJZGRUSLSA-N	306.425	3.188	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cnc3n2CCCC3)c2c(O)ccc(F)c21	793566233	SPQDRZPCXPHACJ-BXUZGUMPSA-N	315.392	3.402	10	20	DGCD	
C[C@H](N[C@@H](CCO)Cc1ccccc1)c1ccc(F)cc1O	799729384	LILUGKGEVVGEHF-BBRMVZONSA-N	303.377	3.176	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc3ccccc3c2O)c(O)c1	794380780	CMKAEFBYIIAQFJ-UHFFFAOYSA-N	323.348	3.190	10	20	DGCD	
C[C@@H](NC[C@H](O)c1ccco1)c1cccc(C(F)(F)F)c1O	798179480	BTFYNIANOTZDLD-SKDRFNHKSA-N	315.291	3.388	10	20	DGCD	
CC[C@@H](N[C@H](CO)CCOC)c1ccc(Cl)c(Cl)c1O	798940881	OKAKTJJJZUMNOT-JOYOIKCWSA-N	322.232	3.137	10	20	DGCD	
CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(O)cs1	798119411	YVIXQAAIJMZRGC-LBPRGKRZSA-N	305.403	3.038	10	20	DGCD	
CCCC(=O)N1C[C@@H](NCc2ccc(OC)c(C)c2)C(C)(C)C1	995338585	HSEZQFVYBGCYRN-QGZVFWFLSA-N	318.461	3.130	10	20	DGCD	
CNC(=O)c1cnc(/C=C/c2ccc(N3CCCC3)cc2)s1	1321436201	UTHKSASKRXEPMJ-RMKNXTFCSA-N	313.426	3.273	10	20	DGCD	
C[C@@H](NC(=O)N(C)CCC(F)(F)F)c1ccc(N(C)C)cc1	1325809166	ZTRIFSUABXXBER-LLVKDONJSA-N	317.355	3.407	10	20	DGCD	
CC[C@@](C)(CC(=O)OC)NCc1ccc(N2CCCC2)cc1	1321023591	NWSWPRDFKUGQHZ-SFHVURJKSA-N	304.434	3.108	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](CO)CC2CCOCC2)c(O)c1C	1339285728	BQMWJTCVDODKMX-WBVHZDCISA-N	321.461	3.085	10	20	DGCD	
CS[C@H]1CCC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1	1261962512	XCWBKRXPHIUHJO-UPJWGTAASA-N	308.447	3.427	10	20	DGCD	
COCc1nnc(-c2cc(C)n(-c3ccc(F)cc3)c2C)o1	1345896929	YLLRPQPNKYDQQC-UHFFFAOYSA-N	301.321	3.430	10	20	DGCD	
CC(C)(CCN(Cc1ccco1)Cc1ccccc1O)C(=O)O	1603598899	XZSOEZUQPHJDTE-UHFFFAOYSA-N	317.385	3.488	10	20	DGCD	
Nc1ccc(CCNC(=O)CO[C@@H]2CCCc3ccccc32)cc1	1580443418	CXQIXJFYRSOIFH-LJQANCHMSA-N	324.424	3.022	10	20	DGCD	
C=C/C(C)=C\CC(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1	1752895253	ZSEJMCAFWJFGSY-VFXTVZEFSA-N	316.445	3.120	10	20	DGCD	
COc1ccc(N(Cc2nc(C(=O)O)cs2)C(C)C)cc1F	1599586629	MYVXINOIHKYOFC-UHFFFAOYSA-N	324.377	3.404	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@]3(C(=O)O)CCCCC[C@H]23)cc1	1777039692	PTYMTPYZGMUDCC-PKOBYXMFSA-N	316.445	3.362	10	20	DGCD	
COC[C@@H]1CCCN1Cc1cc(OC)cc(C(C)(C)C)c1O	164456408	DDQBOULONFFTQM-AWEZNQCLSA-N	307.434	3.309	10	20	DGCD	
CO[C@H]1CCN(Cc2ccc(Br)cc2O)C[C@@H]1C	826062199	NBSVXSYEXWBLAF-HZMBPMFUSA-N	314.223	3.012	10	20	DGCD	
NCCC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	70183605	UURNXVQBLXBQNS-UHFFFAOYSA-N	303.233	3.260	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C)cc2OC)c1	172059597	RRPFLZFMYLQHHX-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CC(C)(C)c2ccccc2)c1	114542948	FMYBHVAMTNQYCL-UHFFFAOYSA-N	313.397	3.385	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccn1	58557984	UUKMYOXHYDOVGX-CQSZACIVSA-N	324.428	3.024	10	20	DGCD	
CC(C)COC[C@H](O)CSc1ncc(-c2ccccc2)n1C	170697919	HMSAWQMDPANHAF-HNNXBMFYSA-N	320.458	3.213	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@@H](c2ccc(F)cc2)C1	179936458	KOMRBGQTQAVGHX-QGZVFWFLSA-N	305.324	3.244	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1	305147694	SHEIYFMNWZIUOA-KRWDZBQOSA-N	306.425	3.065	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(F)c(O)c(F)c1	177137198	OSIHSZIPBIQTCV-UHFFFAOYSA-N	321.323	3.428	10	20	DGCD	
COc1ncc(Cl)c(N[C@H](C)c2ccc(N(C)C)cc2)n1	302421823	OIEPLGXGHRPRRX-SNVBAGLBSA-N	306.797	3.378	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCCNC(=O)c2occc2C)c1	186068142	GHFIILFFWYABGT-AWEZNQCLSA-N	316.401	3.073	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1Cl	72590665	TVZLYMXBGBQPHM-UHFFFAOYSA-N	306.749	3.115	10	20	DGCD	
CCCOc1ccc(CN(C)Cc2ncc(Cl)n2C)c(O)c1	181144448	LGPWOVXEPTYXQU-UHFFFAOYSA-N	323.824	3.200	10	20	DGCD	
Cc1cccc(/C=C2\SC(=S)NC2=O)c1OC(F)F	182049668	ZDQZCBBYJZTXAI-YVMONPNESA-N	301.339	3.085	10	20	DGCD	
C[C@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O	183631373	LKKIGOQOWIENGB-RDJZCZTQSA-N	324.424	3.092	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC[C@H](OC)C3)c2c1	76266330	OTTGFRXTDBBSQE-HNNXBMFYSA-N	301.386	3.165	10	20	DGCD	
COc1ccc2[nH]cc(CC(=O)N(C)Cc3ccccc3O)c2c1	77258402	VKLMTRMBILNZDF-UHFFFAOYSA-N	324.380	3.083	10	20	DGCD	
COc1ccc([C@H](O)CN[C@@H](C)c2cc(Cl)ccc2O)cc1	184948146	IOQGGPVYOUMVAS-APPDUMDISA-N	321.804	3.438	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1Cc2ccccc21	194203139	CFYIARXGVMQMAX-KRWDZBQOSA-N	323.440	3.234	10	20	DGCD	
Cc1ccc(CNC(=O)Cc2ccc(N)cc2)c(OCC2CC2)c1	237744281	DXEKWFHNAZZICC-UHFFFAOYSA-N	324.424	3.225	10	20	DGCD	
CCCOc1ccc(CN[C@@H](CO)c2ccc(F)cc2)c(O)c1	265220106	GRFWZUYHIBTKKB-KRWDZBQOSA-N	319.376	3.143	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1	368211264	CUSGEGWBHBEPNB-XPTSAGLGSA-N	321.323	3.463	10	20	DGCD	
CNC(=O)[C@@H]1CCCCN1Cc1cc(-c2ccccc2)ccc1O	271091342	WQFQHIFVBQURSX-SFHVURJKSA-N	324.424	3.160	10	20	DGCD	
CN(Cc1cc(Cl)c(F)cc1O)C[C@H]1CCCC[C@@H]1O	816564440	GFKFHRYIXDOZEO-YGRLFVJLSA-N	301.789	3.168	10	20	DGCD	
Nc1ccc(CCNC(=O)c2scnc2C2CCCC2)cc1	818544628	DOTGGMDQZAQHTJ-UHFFFAOYSA-N	315.442	3.355	10	20	DGCD	
CCOc1cccc(CN[C@H]2COc3c(C)cccc3C2)c1O	810178207	LGYLAJUAQPGSKM-MRXNPFEDSA-N	313.397	3.193	10	20	DGCD	
CCS[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C	727309764	MRMUUSGZKJDYMG-KRWDZBQOSA-N	320.502	3.463	10	20	DGCD	
Cc1cc(CN(C)Cc2ccc(Br)cc2O)no1	824581043	OJGQQOFXOYPHDN-UHFFFAOYSA-N	311.179	3.083	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2scnc2C)cc1OC	492748690	YKZFSEWISGIYBE-BQYQJAHWSA-N	318.398	3.145	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C1CCC1)C1CC1	836687464	TXVYEBJARKQUTL-SFHVURJKSA-N	315.461	3.473	10	20	DGCD	
CCN(CC)c1ccc(CN2[C@H]3CC[C@H]2CC(=O)C3)cc1F	839130759	BHDPMDHCBFCZGU-GJZGRUSLSA-N	304.409	3.368	10	20	DGCD	
O=C(COCC1CCCC1)NCc1ccc(N2CCCC2)cc1	836367949	KCDSYOUQIADWBN-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(F)F	833204131	FETRCZFNBZMWIN-CYBMUJFWSA-N	307.344	3.263	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@](C)(C(=O)O)C2)cc1	901700151	QRQISXZYQKPZNC-SFHVURJKSA-N	304.434	3.220	10	20	DGCD	
O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc(O)cs1	732290786	AYPTULDOSPMILM-OAHLLOKOSA-N	313.378	3.070	10	20	DGCD	
C/C(=C\C(=O)N(C)c1ccc(OC(C)C)cc1)c1cnccn1	831115723	LFFVLFXXZXSVEW-SDNWHVSQSA-N	311.385	3.330	10	20	DGCD	
COc1cccc([C@@H](C)NCc2nc3c(s2)CCC3)c1O	903191379	VHRWFFVBUVLMDL-SNVBAGLBSA-N	304.415	3.197	10	20	DGCD	
COc1ccc(O)c(CNC(=S)N[C@H](C)c2cccs2)c1	733906428	LRIKQBBCMGISLD-SNVBAGLBSA-N	322.455	3.188	10	20	DGCD	
Cc1cc(COc2ccc(N3CCCC3)cc2)oc1C(=O)O	832885558	VCAQOSFHGNGDIJ-UHFFFAOYSA-N	301.342	3.465	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]2C2OCCO2)cc1C(C)C	902623169	VEOBVPXRHDTXOA-MRXNPFEDSA-N	305.418	3.161	10	20	DGCD	
Cc1ccc(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c(O)c1O	838219145	VFZPRSSFXKLUKM-LBPRGKRZSA-N	317.360	3.249	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C2[C@@H]3CCCC[C@@H]23)cc1	844853739	DMVYMEXGSLENIT-IAGOWNOFSA-N	316.445	3.026	10	20	DGCD	
COc1cccc(CN2CCCCN2C(=O)OC(C)(C)C)c1O	846070871	ZMPWGKKVIKPAJZ-UHFFFAOYSA-N	322.405	3.149	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@]1(CO)CCCc2ccccc21	840942429	MTUXLUMEPCKQJK-OAQYLSRUSA-N	324.468	3.375	10	20	DGCD	
CCOCCCNC(=O)N(C)Cc1ccc(N(CC)CC)cc1	915888620	BRPKFDPEGWHIMN-UHFFFAOYSA-N	321.465	3.101	10	20	DGCD	
CCOC(=O)c1coc(N[C@H](C)c2ccc(N(C)C)cc2)n1	842035196	JEGWVAIVXDMVAY-LLVKDONJSA-N	303.362	3.090	10	20	DGCD	
CC[C@@H](NC(=O)NCc1cc(OC)ccc1O)[C@@H]1CC1(C)C	842180488	OZWDDMXACJLVGU-UONOGXRCSA-N	306.406	3.025	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NCC(C1CC1)C1CC1	845018425	SQTKZGOSCOSODC-UHFFFAOYSA-N	308.809	3.281	10	20	DGCD	
CCc1cccc(CNC[C@H](c2ccco2)N2CCCC2)c1O	848890430	IOFYZGOFOKLKJU-QGZVFWFLSA-N	314.429	3.474	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3CCCC[C@H]3F)ccc21	840274144	BQTVMCQLBAQLJB-HZPDHXFCSA-N	319.424	3.149	10	20	DGCD	
CCc1ccc(CNC[C@H](N)c2ccc(N(C)C)cc2)s1	841042383	JBCHRBZQMKLENE-KRWDZBQOSA-N	303.475	3.166	10	20	DGCD	
CCCN(Cc1c(O)ccc(Cl)c1F)[C@@H]1CCN(C)C1	843423173	YAMXKYSYBJORSR-LLVKDONJSA-N	300.805	3.101	10	20	DGCD	
CCC[C@H](O)CCN[C@H](C)c1ccc(Br)cc1O	927014498	CGXVKACOGDICPE-PWSUYJOCSA-N	316.239	3.356	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CC[C@@H]3C3CCC3)cc2)CC1	850568469	YGSULQQUESMBKE-UXHICEINSA-N	314.473	3.316	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCN3CCC[C@@H]3C2)c2c(O)ccc(F)c21	756416031	GIIFYOKAJFILNV-BHPKHCPMSA-N	304.409	3.296	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(OC)CCCC2)cc1	754179735	AKYFZNLMPQJYSR-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)CC[C@@H]1C(=O)OC(C)(C)C	862485138	HSBDAWPSZCKOBZ-DOMZBBRYSA-N	323.408	3.331	10	20	DGCD	
CS[C@H]1CCN(Cc2c(O)cccc2Br)C1	862385190	PPZIQVMLRDKESX-VIFPVBQESA-N	302.237	3.092	10	20	DGCD	
Cc1occc1CN(C)Cc1ccc(N2CCC(O)CC2)cc1	876634747	AVJPCNYYZMHZNR-UHFFFAOYSA-N	314.429	3.181	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@@H](N)CC1	876874570	HGQWCFMXOBLINV-CALCHBBNSA-N	317.477	3.007	10	20	DGCD	
Oc1ccc(F)cc1CN1CCCO[C@@H](c2ccccc2)C1	779010373	UMENILRBOMCGAG-GOSISDBHSA-N	301.361	3.495	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1cncc(F)c1)c1ccc(N(C)C)cc1	775402763	CJCJEEPRZJMHRF-PRUHKGEBSA-N	313.376	3.177	10	20	DGCD	
CN(Cc1ccc(F)cc1F)C(=O)/C=C\c1ccc(O)c(O)c1	779492751	JPGFDDNRZMULDI-CLTKARDFSA-N	319.307	3.048	10	20	DGCD	
Cc1cc(C(=O)NCCC(C)(C)O)c(C)n1-c1ccc(F)cc1	773392510	PHSMOWYHHPPNCZ-UHFFFAOYSA-N	318.392	3.124	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2ccncc12	779529227	SDAWJZMGWHIJJN-ALCCZGGFSA-N	306.321	3.298	10	20	DGCD	
CCO[C@H](CCNC(=O)c1ccc(C)c(O)c1O)C1CCCC1	780964417	UKSMXRXNISZSOI-OAHLLOKOSA-N	321.417	3.121	10	20	DGCD	
CCCSC[C@H](C)NCc1ccc(N2CCOCC2)cc1	892668631	OZWQFKLDYGEBPM-HNNXBMFYSA-N	308.491	3.145	10	20	DGCD	
COc1ccc(CNc2ccc(SC)cn2)c(O)c1OC	893141727	XKGUSTMFTIFVMH-UHFFFAOYSA-N	306.387	3.138	10	20	DGCD	
COc1cccc(CCN[C@@H](C)c2ccccc2O)c1OC	783504902	ORYBPKQVTUZBNT-ZDUSSCGKSA-N	301.386	3.303	10	20	DGCD	
COCCN(Cc1cc(C)cc(OC)c1O)[C@@H]1CC[C@H](C)C1	790479520	PHKOVLBQNBJJQH-XJKSGUPXSA-N	307.434	3.346	10	20	DGCD	
CO[C@](C)(CNCc1ccc(Br)cc1O)C1CC1	691490851	YKDNWERHYZLHPJ-CQSZACIVSA-N	314.223	3.059	10	20	DGCD	
CC(C)CC[C@@H](O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	796448945	KVEONPYLSXVPHK-MSOLQXFVSA-N	321.461	3.170	10	20	DGCD	
CC(C)c1noc(CCN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)n1	1320253432	WAJYLXOYYAKOMV-CMPLNLGQSA-N	319.380	3.418	10	20	DGCD	
CC1(C)CC(=O)N1CN1CCCc2cc(OC(F)F)ccc21	1341426349	XSFYLODIQXVXOC-UHFFFAOYSA-N	310.344	3.009	10	20	DGCD	
O=C(O)c1ccccc1CCNCc1cc(Cl)c(F)cc1O	1602468347	QNDZZZAKYXYPQI-UHFFFAOYSA-N	323.751	3.215	10	20	DGCD	
CC(C)c1[nH]c(CN[C@H](C)c2ccccc2O)cc1C(=O)O	1603987561	JVIQBZQNYYZUCQ-LLVKDONJSA-N	302.374	3.393	10	20	DGCD	
CC(C)C1(CN(CC(=O)O)Cc2cc(Cl)ccc2O)CC1	1603748964	NVVFVPASVYFZLX-UHFFFAOYSA-N	311.809	3.368	10	20	DGCD	
C[C@H](N[C@@H]1CCCC12CCOCC2)c1cc(C(=O)O)ccc1O	1593225806	YJQAKCYUCLTLPA-BLLLJJGKSA-N	319.401	3.090	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](C(=O)O)c3ccccc3)ccc21	1776875190	OBVJOLNSNHEWRY-LJQANCHMSA-N	324.424	3.375	10	20	DGCD	
CCC[C@@H](CCO)CNCc1ccc(Br)cc1O	691490022	VFLPTDFLGPNWNO-NSHDSACASA-N	316.239	3.043	10	20	DGCD	
CN(Cc1c(O)ccc2oc3c(c12)CCCC3)[C@@H]1CCOC1	106858096	FSECKKCKMCOGPK-GFCCVEGCSA-N	301.386	3.238	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)c3ccccc3C)CC2)cc1	55877544	GOCLCMHFEHPZNO-UHFFFAOYSA-N	324.424	3.356	10	20	DGCD	
COc1cc(NCc2cc(C)ccc2O)cc(OC)c1OC	103854811	BSURATWRKFYENO-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1cccs1	173194178	XZRSZRJPDSAVLR-LBPRGKRZSA-N	316.426	3.343	10	20	DGCD	
CCn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cn1	111998295	JJAFLCXEQGPWOQ-JYRVWZFOSA-N	315.423	3.309	10	20	DGCD	
C[C@H]1CCCCN1C(=O)COc1ccc(N2CCCC2)cc1	178192977	NVPLGGKRDFLSNJ-HNNXBMFYSA-N	302.418	3.067	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc(F)cc2)c(C)c(C)c1O	187061902	RLOUIRZJWRKHNT-UHFFFAOYSA-N	309.362	3.257	10	20	DGCD	
Cc1ccnc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1	184080457	JUUAZUGKVCSRPT-UHFFFAOYSA-N	308.385	3.088	10	20	DGCD	
O=S(=O)(c1ccc(NCc2ccccc2O)cc1)C(F)F	36958015	QQLVDCPSDSGTFE-UHFFFAOYSA-N	313.325	3.001	10	20	DGCD	
COc1ccccc1NC[C@@H](O)COc1ccccc1Cl	32208729	DRSJHELMRNDAIV-GFCCVEGCSA-N	307.777	3.200	10	20	DGCD	
CCC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C	134364049	RZQUOPDISSNGDP-SFHVURJKSA-N	318.461	3.212	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3CCC[C@@H]32)c1O	43426175	KPVKPOHRXDEQQL-LSDHHAIUSA-N	309.793	3.002	10	20	DGCD	
Cc1c(CN=c2nc(N)c3ccccc3[nH]2)n(C)c2ccccc12	530429210	LAVAEUIVMGLJDA-UHFFFAOYSA-N	317.396	3.046	10	20	DGCD	
CO[C@H](C)c1nc(CNCc2c(O)cccc2Cl)cs1	267630887	NUWRAMFAWKBXEQ-SECBINFHSA-N	312.822	3.499	10	20	DGCD	
COc1ccc([C@@H](OC)[C@@H](C)NCc2ccccc2O)cc1	271539102	PFHBEBZOBYJCCA-ACJLOTCBSA-N	301.386	3.267	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(-n3cnnn3)cc2)cc1	378957496	UPQVAPQKGXGNAI-UHFFFAOYSA-N	322.416	3.121	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)CC[S@](C)=O)c1O	808706832	VYUVASWAIVIZHU-ADWYPQAOSA-N	303.855	3.162	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NC[C@@H]2CCN(C3CC3)C2)c1O	808675595	MNJPYPMPXMDGQZ-STQMWFEESA-N	308.853	3.489	10	20	DGCD	
COC(=O)c1cnc(SCCCC(=O)OC(C)(C)C)s1	294929070	CVPLMRNNALMTGP-UHFFFAOYSA-N	317.432	3.144	10	20	DGCD	
Cc1cc(O)c(CN2CCC(N3CCCCC3)CC2)cc1C	299708654	OHOVFZLLFBJEQH-UHFFFAOYSA-N	302.462	3.459	10	20	DGCD	
Oc1ccc2c(c1)OCCN(Cc1c(O)ccc(Cl)c1F)C2	809705034	MNAWIMUNXXKFEZ-UHFFFAOYSA-N	323.751	3.285	10	20	DGCD	
C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(N(C)C)cc1	296584774	UPZQEZGNQPVYKB-LLVKDONJSA-N	324.350	3.412	10	20	DGCD	
C[C@H]1C[C@@H](O)CN1Cc1ccc2c(c1)CCN2Cc1ccccc1	809651836	BFWLDROJCNYQGU-OXJNMPFZSA-N	322.452	3.204	10	20	DGCD	
CCCc1nc(C)c(CNCc2ccc(OCC)cc2O)o1	813791812	FXHOXNHWTOSHHJ-UHFFFAOYSA-N	304.390	3.330	10	20	DGCD	
C[C@H](N[C@@H]1CCCNCC1)c1ccc(Cl)c(Cl)c1O	817968520	KUVAJGRSBWXERF-VHSXEESVSA-N	303.233	3.492	10	20	DGCD	
CCCN1C[C@H](CN[C@H](C)c2cc(Cl)cc(C)c2O)CC1=O	817590051	SQRUIRPQUPUFMO-OLZOCXBDSA-N	324.852	3.263	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@@H]2CNC[C@@H]2C1)c1cccc(Cl)c1O	817987341	SUUWCANCBHPJEL-IATRGZMQSA-N	308.853	3.474	10	20	DGCD	
COc1ccc(O)c(CNCc2conc2Cc2ccccc2)c1	815126560	NWADXSZOCNGGMF-UHFFFAOYSA-N	324.380	3.269	10	20	DGCD	
CC[C@H](NC[C@@H](N)C1CC1)c1ccc(Cl)c(Cl)c1O	817964484	AGVVBOARGCIGBL-NEPJUHHUSA-N	303.233	3.477	10	20	DGCD	
C[C@H](NC[C@H]1CCCNC1)c1ccc(N2CCCCC2)c(F)c1	817945614	HVFSSQNUBLUIQB-HOTGVXAUSA-N	319.468	3.466	10	20	DGCD	
C[C@@H](COCC1CC1)NCc1ccc(Br)cc1O	826139832	PSTXCZHDWBYTIJ-JTQLQIEISA-N	314.223	3.059	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCS[C@H]2C)cc1	825721623	QNJMMXDRZRHBRI-BBRMVZONSA-N	321.490	3.226	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2c3ccccc3C[C@H]2O)cc1Cl	825354511	XGCYTTGZWODATM-IAGOWNOFSA-N	303.789	3.102	10	20	DGCD	
O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc(O)cs1	731871552	IGCAJJYFJICZKV-AWEZNQCLSA-N	319.382	3.264	10	20	DGCD	
COc1ccc(N(CCO[C@@H]2CCCCO2)CC2CC2)cc1	831588284	WXWMEWNHEQJGQF-GOSISDBHSA-N	305.418	3.455	10	20	DGCD	
C[C@@H]1CCCC[C@H]1CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832279614	KUDPQHKWRSOUAE-HFTRVMKXSA-N	317.477	3.085	10	20	DGCD	
CCCCOCC(=O)N(C)Cc1ccc(N(CC)CC)cc1	735630928	FWENHKRVGXLNRX-UHFFFAOYSA-N	306.450	3.308	10	20	DGCD	
CC(C)[C@H](N[C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C	834733537	NBORWRAPCCCXNB-BBRMVZONSA-N	305.418	3.335	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@@H](OC2CCC2)C1	848498410	SCFCPINAWCLTAD-MRXNPFEDSA-N	312.413	3.474	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H]2CCN(C(C)(C)C)C2=O)c2c(O)ccc(F)c21	842885794	PIFZSSQSHLQTEG-KGYLQXTDSA-N	320.408	3.069	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1c[nH]nc1C	840893338	ITNQUYXYZCIIDQ-ZIAGYGMSSA-N	300.450	3.374	10	20	DGCD	
COc1ccc([C@H](O)CN[C@@H](C)c2ccc(Cl)cc2O)cc1	841744502	OWYOKULIBXVCEK-APPDUMDISA-N	321.804	3.438	10	20	DGCD	
CCO[C@H](CC)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	919976955	XISAUTNZXPPVMA-QGZVFWFLSA-N	306.450	3.306	10	20	DGCD	
C[C@H](N[C@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1O	841761658	QQNQVGWETGHRSH-ZBEGNZNMSA-N	314.341	3.223	10	20	DGCD	
COc1cccc([C@H](C)NCCCCCN2CCCC2)c1O	846172166	XBGKFHOOQDJYTC-HNNXBMFYSA-N	306.450	3.318	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](C)[C@](C)(OC)C2CC2)c1O	840960910	NUFOFFIVFBKRLX-HWPZZCPQSA-N	313.825	3.347	10	20	DGCD	
CCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)c(O)c1	845972648	QQLABBUKOAWUQY-GFCCVEGCSA-N	317.385	3.356	10	20	DGCD	
CCOc1cccc(NC(=S)NCc2ccc(C)cn2)c1	843280826	MAIGQTUBUMQTMK-UHFFFAOYSA-N	301.415	3.275	10	20	DGCD	
C[C@H]1C[C@H](C)CN(C(C)(C)CNCc2ccc3c(c2)CCO3)C1	920181086	XKQMONVKMYVDLZ-HOTGVXAUSA-N	316.489	3.468	10	20	DGCD	
CC[C@@H]1CN(C)CCN1Cc1c(O)ccc2ccc(OC)cc12	840094532	VAYIAHSIDLQLRG-OAHLLOKOSA-N	314.429	3.080	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2c(F)ccnc2F)cc1	847357005	KPTHHFQAJCHVFT-UHFFFAOYSA-N	319.355	3.136	10	20	DGCD	
COCC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	843527192	OPEIKOVXIUKSNW-UHFFFAOYSA-N	316.445	3.060	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H](CO)c2ccccc2)c2c(O)ccc(F)c21	756654148	HDTJTWQPBFDWFW-UGFHNGPFSA-N	301.361	3.403	10	20	DGCD	
CCCN1CC[C@H](CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1	756450213	RCEJVFWOIBZPOC-NFAWXSAZSA-N	306.425	3.401	10	20	DGCD	
CO[C@]1(C)C[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1(C)C	756627235	SOEQTHSPLQIKAB-FUEDEBDSSA-N	308.378	3.155	10	20	DGCD	
C[C@H](NC[C@@H]1CSCCS1)c1cc(F)cc(F)c1O	756640159	KEDTYSXKICRMOF-WCBMZHEXSA-N	305.415	3.170	10	20	DGCD	
COc1ccc(N(C)Cc2ccnc(N(C)C)c2)cc1Cl	754061625	LZHLSMDHHJBHFG-UHFFFAOYSA-N	305.809	3.446	10	20	DGCD	
C[C@@H]1CC(CCNC(=O)N[C@H](C)c2ccccc2O)C[C@@H](C)O1	868585480	FPFWLLYUBNVGLT-MGPQQGTHSA-N	320.433	3.346	10	20	DGCD	
CC[C@H](CSC)NCc1ccc(OC)c(Cn2cccn2)c1	873100811	FJUUEQUMFNLOTE-MRXNPFEDSA-N	319.474	3.171	10	20	DGCD	
COC(=O)CC[C@@H](NCc1ccc(C)cc1O)c1ccccc1	877007926	HVEWXAIHILIVCI-QGZVFWFLSA-N	313.397	3.485	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc(OCCN(C)C)cc1	876836339	UTMYIPFFICIWMM-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnc(OC)s2)cc1	876945291	XMGUTEKATLYFKA-UHFFFAOYSA-N	305.447	3.288	10	20	DGCD	
CN(CCC1CCOCC1)Cc1cc(Cl)cc(F)c1O	775714561	SPEGHEYLSNXOCF-UHFFFAOYSA-N	301.789	3.433	10	20	DGCD	
CC[C@@H](NC1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1O	775504317	XKDWXNWWDHYGRK-FUHWJXTLSA-N	318.461	3.076	10	20	DGCD	
CC[C@H](CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	775874714	ACSCAUGMZZLEDR-MRXNPFEDSA-N	314.429	3.212	10	20	DGCD	
C[C@H](Nc1ccc2nnc(C3CC3)n2n1)c1ccc(N(C)C)cc1	772298023	PTVPOEXCORMMAE-LBPRGKRZSA-N	322.416	3.241	10	20	DGCD	
Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc(C)n1	880303456	ODNFEAYBKPJLOS-GFCCVEGCSA-N	313.405	3.042	10	20	DGCD	
CCOc1cccc(CNC[C@H](c2ccnn2C)C(C)C)c1O	788077077	SDQQNUYSBYDKCM-HNNXBMFYSA-N	317.433	3.054	10	20	DGCD	
CCc1nn(C)cc1NCc1cc(Br)ccc1O	222947524	SOKHWBUDLKDTTN-UHFFFAOYSA-N	310.195	3.063	10	20	DGCD	
OC[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccc(F)cc1	790966246	CMIMSDNYABIGGI-CYBMUJFWSA-N	313.731	3.147	10	20	DGCD	
CN(C)c1ccc(CN2CCOCC2(C)C)c(C(F)(F)F)c1	792791224	GLWATBKKECPPRK-UHFFFAOYSA-N	316.367	3.382	10	20	DGCD	
O=C(C[C@@H]1CCCOC1)NCc1ccc(N2CCCCC2)cc1	793243823	YHOAPVLQXLGZSY-KRWDZBQOSA-N	316.445	3.110	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC[C@@](C)(O)CC3)c2c1	794667744	PJXIXMZTNRBARU-LJQANCHMSA-N	315.413	3.291	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@H]2CCO[C@@H](C3CC3)C2)cc1F	1328701052	AIVPOYDQMPYZBW-SUMWQHHRSA-N	310.388	3.078	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCCOC1CCSCC1	1333895607	PPDXSODLYGECJS-UHFFFAOYSA-N	320.502	3.289	10	20	DGCD	
CC[C@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	1262605540	CXJWTAQNCQVXOS-SJORKVTESA-N	322.424	3.008	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1cccc2c1CCCC2=O	1600832011	HXYVLBJQAVKZTQ-UHFFFAOYSA-N	300.310	3.384	10	20	DGCD	
CN(C(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(N)cc1	1578389514	PLBSDWZVDMCSNC-UHFFFAOYSA-N	322.343	3.142	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)cc(F)cc1F	156151629	WNHNEXJVFSCRMA-UHFFFAOYSA-N	322.330	3.408	10	20	DGCD	
C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)c1cccc(F)c1	156736070	KELUDIUVOYWKQJ-GFCCVEGCSA-N	317.360	3.089	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(C)C(C2CC2)C2CC2)cc1F	51714443	IPONZCFGZYAETH-UHFFFAOYSA-N	319.424	3.222	10	20	DGCD	
CC(=O)NC[C@@H]1CCCN(Cc2cc(C(C)C)c(C)cc2O)C1	67382631	CYQXSEAQVCNYAB-INIZCTEOSA-N	318.461	3.172	10	20	DGCD	
Cc1ccc([C@H](C)NCCC(=O)NCc2ccccc2)c(O)c1	185252759	MTPYJOUTWIYSLH-HNNXBMFYSA-N	312.413	3.058	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC(C)(C)C1	186397488	JHWDZMLUXBQINM-TZMCWYRMSA-N	305.418	3.361	10	20	DGCD	
C[C@@H](NCC1(N2CCCCC2)CCOCC1)c1ccccc1O	183600787	WYAGCESEUGNMKP-MRXNPFEDSA-N	318.461	3.078	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1	319563358	GEHVKTWSVFHAKU-CYBMUJFWSA-N	314.385	3.459	10	20	DGCD	
COc1cccc([C@H](O)CN[C@H](C)c2ccc(F)c(F)c2O)c1	187714419	HPKSQDURIGXTTG-MEBBXXQBSA-N	323.339	3.063	10	20	DGCD	
CCCN(Cc1nc([C@H](C)OCC)no1)Cc1ccccc1O	76724902	RMGXAWCLOSYCTO-ZDUSSCGKSA-N	319.405	3.285	10	20	DGCD	
C[C@@H]1CCC[C@@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21	186833456	IJWFERDTKIXRBR-ZIAGYGMSSA-N	302.418	3.304	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CCCN2)c1O	317642638	QNEUKZIOBCIGII-LSDHHAIUSA-N	324.852	3.161	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](C)N2CCC(C)CC2)c1	185227448	CZFALPPDSJLXRN-LSDHHAIUSA-N	306.450	3.172	10	20	DGCD	
Cc1cccc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O	224828438	QPHAMNDJDFECCL-OAHLLOKOSA-N	320.433	3.190	10	20	DGCD	
COc1cccc(CNC(=O)NCCC2=CCCCC2)c1O	80541262	CKPSGGHQYBLYEN-UHFFFAOYSA-N	304.390	3.091	10	20	DGCD	
CCCn1ccnc1CCCN(C)Cc1ccc(N(C)C)cc1	193583373	SGDYCTPVJQTVBZ-UHFFFAOYSA-N	314.477	3.424	10	20	DGCD	
Cc1ccc([C@@H](C)NC2CCC3(CC2)OCCO3)c(O)c1C	273419044	RQIWRMZOEBWWLV-CQSZACIVSA-N	305.418	3.345	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2cccc(C(=O)N(C)C)c2)c1	273419869	JEWULGJLCMTMDU-GFCCVEGCSA-N	314.385	3.276	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccccc1O	274984513	ZSLBBEXZTHPNQX-YCPHGPKFSA-N	304.434	3.080	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@@]2(CCOC2)C1)c1cc(Cl)ccc1O	376299103	AIQOYTBOBIYCPY-RBOXIYTFSA-N	311.809	3.034	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@H](C3CC3)O[C@H](C)C2)c1O	373472900	GOLKYWPVOXPCJH-MEBBXXQBSA-N	311.809	3.054	10	20	DGCD	
CC[C@H](N[C@H](COC)[C@H]1CCCO1)c1cccc(Cl)c1O	286972013	IMJVGBIAAUGUTI-RRFJBIMHSA-N	313.825	3.280	10	20	DGCD	
C[C@H](N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])C1(C)CC1	385192269	NDSSDHVMOXBDST-ZRQQLDRUSA-N	304.346	3.317	10	20	DGCD	
Cc1ncccc1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	285431300	LPJVRYJDZNXBOA-UHFFFAOYSA-N	323.440	3.190	10	20	DGCD	
COc1cc(O)c(CNCCCc2ccccc2F)cc1OC	280325370	QQQFLCQBXGHETP-UHFFFAOYSA-N	319.376	3.271	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(N)cc1)Cc1cccc(F)c1	297225935	OIUKVSVTTFVNOL-ZDUSSCGKSA-N	300.377	3.293	10	20	DGCD	
CCCn1ccnc1CCCN(C)Cc1cccc(C)c1O	290389020	IQZZDEBTISTSMK-UHFFFAOYSA-N	301.434	3.372	10	20	DGCD	
CC(C)OCc1cc(NS(=O)(=O)c2ccccc2)ccc1O	290564175	SGNGHKHTDZVQMN-UHFFFAOYSA-N	321.398	3.118	10	20	DGCD	
Cc1ccc(C(=O)CCC(=O)N(C)Cc2ccccc2O)cc1	298779304	HTICNYWTJWVTOF-UHFFFAOYSA-N	311.381	3.322	10	20	DGCD	
C[C@H]1CC[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C[C@@H]1C	295714636	KKJXBRUUJZBCBG-RMRHIDDWSA-N	305.418	3.217	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H](CC)c1ccc(C)cc1O	293700196	LZBRVRQGFTYYSA-HOCLYGCPSA-N	306.450	3.294	10	20	DGCD	
C[C@@H](CCCN)N[C@@H](C)c1cc(Br)cc(F)c1O	817977956	RZECQHZIVXWATG-IUCAKERBSA-N	319.218	3.072	10	20	DGCD	
CC(C)(C[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(N)=O	824608592	JZBCOCXHSREGGW-GFCCVEGCSA-N	324.852	3.159	10	20	DGCD	
COc1cc(OC)cc(N(C)C(=O)/C=C\c2cnc(C)s2)c1	492000134	CTFGKDWKLJMSIA-WAYWQWQTSA-N	318.398	3.145	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1sccc1C	734525238	MYNYXQABQYKRHN-UHFFFAOYSA-N	317.458	3.430	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccoc1C	839917043	YHLKQECZKJQDDM-CYBMUJFWSA-N	300.402	3.323	10	20	DGCD	
CCN(CC)c1ccc(CNc2nc(C)cc(OC)n2)cc1	735487415	XMZRIJADVKERQC-UHFFFAOYSA-N	300.406	3.252	10	20	DGCD	
O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(O)cs1	731909586	FGHORLXOMOLWMI-UHFFFAOYSA-N	320.410	3.396	10	20	DGCD	
O=C(CC[C@@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1	742475522	ONJMTXMESAZDQG-SFHVURJKSA-N	316.445	3.252	10	20	DGCD	
CC(C)Cn1nccc1CNCc1ccc(N(C)C)c(F)c1	842672829	DHWWNJNWMVFTTJ-UHFFFAOYSA-N	304.413	3.034	10	20	DGCD	
COc1cccc([C@@H](C)Nc2cccc(CCCO)c2)c1O	846162382	GSNFUWWRNIZEMD-CYBMUJFWSA-N	301.386	3.499	10	20	DGCD	
CC(C)COC[C@H](NC(=O)Nc1ccc(N)cc1)c1ccco1	841301567	UXCROESWTACBDN-HNNXBMFYSA-N	317.389	3.397	10	20	DGCD	
C[C@H]1CC(C)(C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	840303843	DQWDAGBMZRZARB-HNNXBMFYSA-N	313.445	3.393	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)C(F)(F)C(F)F	749364828	MOJZHIAIRGZOCU-UHFFFAOYSA-N	318.314	3.194	10	20	DGCD	
CC(C)c1nc(NCc2cc(Cl)ccc2O)nc(N(C)C)n1	845708913	IJKYNWGEFRHJAV-UHFFFAOYSA-N	321.812	3.032	10	20	DGCD	
C[C@H]1C[C@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1	741082521	KXTPFPRMEOEGJV-KBPBESRZSA-N	301.434	3.009	10	20	DGCD	
CCN(Cc1cc(=O)n2cc(C)ccc2n1)c1ccc(OC)cc1	746109098	JRILCQHVEDWDMP-UHFFFAOYSA-N	323.396	3.038	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN[C@H]1CCNC2(CCC2)C1	841088741	AUHKVHQUVGBFBJ-SFHVURJKSA-N	313.489	3.441	10	20	DGCD	
COc1ccccc1N(CCO)Cc1ccc(N(C)C)cc1C	840946894	QIJFXXLWMRZFEM-UHFFFAOYSA-N	314.429	3.069	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2NCc1ccc2c(c1)CCCO2	921748448	IBFZARYASVISAW-KRWDZBQOSA-N	309.413	3.277	10	20	DGCD	
Oc1ccccc1[C@H](CCc1ccccc1)NC[C@H]1C[C@@H](O)C1	858543954	QQAGPSZETZRFDS-SCTDSRPQSA-N	311.425	3.427	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCCN(C)C)c2C)c1	751522518	KXQVQMMUNYWTPJ-UHFFFAOYSA-N	313.445	3.002	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1ccsc1)c1cc(F)cc(F)c1O	756603787	KWGWBVKZRQJPMP-VFZGTOFNSA-N	313.369	3.290	10	20	DGCD	
C[C@H](CCO)N[C@H](C)c1cc(Br)cc(Cl)c1O	756592390	HYOCRAZIHIYRFN-HTQZYQBOSA-N	322.630	3.230	10	20	DGCD	
COc1cccc(O)c1CN1CCN(c2ccc(C)cc2)CC1	753575591	IESQGRFUOLWPGQ-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
COc1ccc(N(C)CC(=O)NCCC(C)(C)C)cc1Cl	757857506	VBCGGEGPVPPDAL-UHFFFAOYSA-N	312.841	3.337	10	20	DGCD	
Cc1ccc(O)c(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)c1	768423338	KKMVUBPTBBJINM-UHFFFAOYSA-N	324.424	3.225	10	20	DGCD	
C[C@@H](NC(=O)NCCCOC1CCCCC1)c1ccccc1O	867985537	GUPYLVPOXGSCLE-CQSZACIVSA-N	320.433	3.492	10	20	DGCD	
COc1ccc(N(C)Cc2nncn2-c2ccccc2)cc1F	769726403	AETMKVOARXHYFW-UHFFFAOYSA-N	312.348	3.051	10	20	DGCD	
COc1ccccc1CN(C)c1ccc(OCCN(C)C)cc1	761220754	KGKFFBKCOHZFLB-UHFFFAOYSA-N	314.429	3.272	10	20	DGCD	
Cc1nc(CCC(=O)Nc2c(Cl)ccc3nonc23)cs1	1117507532	OBXMRHXMZDIWEQ-UHFFFAOYSA-N	322.777	3.212	10	20	DGCD	
CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776244455	JKNCGHGCYLYRTB-RHSMWYFYSA-N	319.449	3.024	10	20	DGCD	
CCOc1ccc(CNc2nnc(CC(C)C)s2)c(O)c1	777508223	ISDCWDYDZJRPMW-UHFFFAOYSA-N	307.419	3.453	10	20	DGCD	
Cc1cscc1CNCc1ccc(N2CCC(O)CC2)cc1	877483082	JNLCKRUGZNKZMX-UHFFFAOYSA-N	316.470	3.307	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)Cc2ccnc(OC)c2)c1	877533381	NUYUBUJZRBDJFH-QWHCGFSZSA-N	316.401	3.086	10	20	DGCD	
CSC(C)(C)CCNCc1ccc(N2CCC(O)CC2)cc1	877637133	NXQYSYAFVFQCLO-UHFFFAOYSA-N	322.518	3.269	10	20	DGCD	
CCOC(=O)C[C@@](C)(NCc1ccc(N(C)C)c(F)c1)C(C)C	775376176	XGCXFSUTRZVICP-GOSISDBHSA-N	324.440	3.349	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)c2ccc(C)cc2)c1O	775056967	ONFFMLJAULFVQP-UHFFFAOYSA-N	302.330	3.254	10	20	DGCD	
CS[C@H](C)CCC(=O)NCc1ccc(N2CCCC2)cc1	773232786	SVYBDHKPGXIICE-CQSZACIVSA-N	306.475	3.435	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@H]2CCC[C@@H]2C)cc1C	1127929608	UUTLLKMRQBSSAD-WMLDXEAASA-N	318.461	3.036	10	20	DGCD	
CN(Cc1cc(Br)cc(F)c1O)[C@@H]1CCSC1	893928844	GFTCMZJEWZWBNQ-SNVBAGLBSA-N	320.227	3.231	10	20	DGCD	
C[C@H](NC[C@H]1CCN1Cc1ccccc1)c1ccc(F)cc1O	716177300	MYURXIFNKRWCPQ-WMLDXEAASA-N	314.404	3.456	10	20	DGCD	
CCc1c(NC(=O)c2cccc(O)c2O)cnn1C(CC)CC	791620792	WXHOYPBSHOPSKR-UHFFFAOYSA-N	317.389	3.470	10	20	DGCD	
COc1ccc(CNC(=O)c2c[nH]cc2-c2ccccc2)c(O)c1	794381878	QPCGMQVEBIMXGH-UHFFFAOYSA-N	322.364	3.326	10	20	DGCD	
Cc1ccc2c(c1)N[C@@H](c1ccc(N3CCCC3)cc1)NC2=O	1332843792	QYRXWQOQTVRESU-GOSISDBHSA-N	307.397	3.449	10	20	DGCD	
CN(C[Si](C)(C)C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1606143570	PANXLQFGPRZANP-SOFGYWHQSA-N	308.410	3.006	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(Cl)ccc1Cl	158965234	OLXHECCBNGEYAI-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
CCCS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	151224697	NCUXWLKKYUZXRW-UHFFFAOYSA-N	311.447	3.267	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1	152546855	NRTZOGYQIOJCTC-JKSUJKDBSA-N	316.351	3.009	10	20	DGCD	
CC[C@@H](NCCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1O	155412278	NFJQXTGOQOCQQT-JFIYKMOQSA-N	320.477	3.322	10	20	DGCD	
CCO[C@H]1CCCN(Cc2cccc(Br)c2O)C1	155447500	BRJYBWPTCLPVAT-LBPRGKRZSA-N	314.223	3.156	10	20	DGCD	
COC(=O)[C@@H](C)CN(Cc1c(O)ccc2ccccc12)C1CC1	102652997	FKGMKKXSXJNKCL-ZDUSSCGKSA-N	313.397	3.319	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(C2CCCC2)C2CC2)cc1	111414236	BJDWHGHUPXHGBJ-UHFFFAOYSA-N	301.434	3.369	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccc(O)c1	69215402	JZTOQRSCCZHGLA-CYBMUJFWSA-N	313.401	3.019	10	20	DGCD	
O=C(CCc1cccc(Cl)c1)NCCc1ccc(O)c(O)c1	122583727	UGGIMECSVINUEJ-UHFFFAOYSA-N	319.788	3.043	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCOCC(F)(F)F)c1	182367631	SNSDPLYGINFTIZ-SNVBAGLBSA-N	307.312	3.020	10	20	DGCD	
CC[C@@H](CCO)CNC(=O)c1cc(C)n(-c2ccccc2)c1C	128082300	MNXTUOWEBLJHHY-INIZCTEOSA-N	314.429	3.233	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC2CCN(CC(F)(F)F)CC2)c1	185291141	WQEDZWUUXABZNS-GFCCVEGCSA-N	316.367	3.378	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C3=CCCCC3)CC2)cc1	126727330	ZLVLJLSYRRJTPI-UHFFFAOYSA-N	314.429	3.234	10	20	DGCD	
C[C@@H]1CCN(C(=O)/C=C/c2cncc(F)c2)c2c(O)cccc21	186306280	CEMQBGOWOXHRQK-BTDICHCPSA-N	312.344	3.480	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC1(SC)CC1	195156125	CBBLJXBEXKREMU-UHFFFAOYSA-N	308.447	3.209	10	20	DGCD	
COC[C@H](Cc1ccccc1)NCCCSc1nccs1	132233739	GBHVYEHBRCQOSM-HNNXBMFYSA-N	322.499	3.473	10	20	DGCD	
Cc1ccc(O)c(CNC2CCN(C(=O)OC(C)(C)C)CC2)c1	226647528	PDPHHRNQTZSRSQ-UHFFFAOYSA-N	320.433	3.190	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2	265083338	NNEIFUIVXQVVLB-KZNAEPCWSA-N	316.445	3.057	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(Br)cc1O)c1cnn(C)c1	273563782	IUCJTWOJHGFIKU-VHSXEESVSA-N	324.222	3.300	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1O)c1nncn1C	273568654	KDSLJHUWDRDUCR-SFYZADRCSA-N	315.204	3.239	10	20	DGCD	
CN1CC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1	272589080	HQLLOZACRFTKTM-IINYFYTJSA-N	315.244	3.225	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCN3CCC[C@H]3C2)cc1	370675772	FBZQVDYKSJHZAK-IEZWGBDMSA-N	301.478	3.420	10	20	DGCD	
Cc1ccc(O)c(CNCc2ccccc2-c2cnn(C)c2)c1	372862790	JTZLSTKHFNCBPM-UHFFFAOYSA-N	307.397	3.391	10	20	DGCD	
C[C@@H](N[C@H]1CCCC12CCOCC2)c1cc([N+](=O)[O-])ccc1O	282702933	KZKJKWRMFXFFNF-WBMJQRKESA-N	320.389	3.300	10	20	DGCD	
C[C@H](NCc1cc(F)ccc1O)c1ccc2c(c1)CCC(=O)N2	289488371	RHLNZBIHERFCRL-NSHDSACASA-N	314.360	3.267	10	20	DGCD	
CCCN(Cc1cnn(CC(F)F)c1)Cc1ccccc1O	295438431	UJFZDQKBRASQFH-UHFFFAOYSA-N	309.360	3.266	10	20	DGCD	
CCCCN(Cc1ccccc1O)c1cc(-n2ccnc2)ncn1	800887039	LZABWGAJZSQDBW-UHFFFAOYSA-N	323.400	3.175	10	20	DGCD	
Cc1cc(CN2CCCC3(CCOCC3)C2)ccc1N(C)C	292750363	IAQRVOWNYLEGPJ-UHFFFAOYSA-N	302.462	3.454	10	20	DGCD	
CON(CC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C	806635400	RFJPNRXNECFGOV-UHFFFAOYSA-N	319.449	3.188	10	20	DGCD	
Fc1cc(CN2C[C@H]3CCC[C@@H](C3)C2)ccc1N1CCOCC1	809694627	QWKNVHCMEKVRJU-HOTGVXAUSA-N	318.436	3.284	10	20	DGCD	
CC[C@H](N[C@@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1O	806161955	PSUSJKMNNIKJIK-ZANVPECISA-N	321.812	3.169	10	20	DGCD	
Cc1ccc(O)c(CNCCCNC(=O)/C=C\c2ccccc2)c1	800312822	SOKVSKRYQWELSU-LUAWRHEFSA-N	324.424	3.010	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ncsc2C(C)C)c(O)c1	808914781	BTOZUFNBCSMJQQ-UHFFFAOYSA-N	321.402	3.302	10	20	DGCD	
Cc1ccc(C2(C(=O)NCc3ccc(O)c(O)c3)CCC2)cc1	819399489	VUVRKJUCGCTAHJ-UHFFFAOYSA-N	311.381	3.144	10	20	DGCD	
CCNCCCN[C@@H](C)c1cc(Br)cc(C)c1O	817943424	NDXYFJJXAOJSPN-NSHDSACASA-N	315.255	3.113	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cl)cc2O)c1	728980875	PCRUXIDBWWMPHL-VIFPVBQESA-N	321.760	3.251	10	20	DGCD	
COC(=O)C(C)(C)NCc1ccc(N2CCCCC2)c(C)c1	827661907	VSAHBSOXRWCBQU-UHFFFAOYSA-N	304.434	3.027	10	20	DGCD	
C[C@](O)(CN[C@@H]1CCc2cccc(O)c21)c1cccc(F)c1	903312298	YQVFQDALIQHCSE-QAPCUYQASA-N	301.361	3.016	10	20	DGCD	
Cc1ccc(C[C@H](CO)NCc2cc(C)c(C)cc2O)cc1C	835074341	QZLMULZSVWKHKD-LJQANCHMSA-N	313.441	3.319	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2scnc2C(C)C)c1	836739785	DZAHKHOLORVQPT-UHFFFAOYSA-N	321.402	3.302	10	20	DGCD	
C[C@H](NCCC1CCNCC1)c1cc2c(cc1O)CCCC2	844926439	UJJDSKOXYWSCRT-AWEZNQCLSA-N	302.462	3.311	10	20	DGCD	
CCOc1ccc(CNCCc2ccc(N)cc2)cc1OCC	841034003	FCPKVIVWAJOISD-UHFFFAOYSA-N	314.429	3.399	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](CCO)C2CCCCC2)c1O	846143948	BHUMHSUQSKNHBI-XJKSGUPXSA-N	307.434	3.383	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc(F)c(Cl)c2)cc1	841045586	NJCWJURJJQBZGG-KRWDZBQOSA-N	321.827	3.335	10	20	DGCD	
Nc1ccc(Cc2nc(-c3nc(CC4CC4)no3)cs2)cc1	840993881	KRGRPBHDALNSAD-UHFFFAOYSA-N	312.398	3.319	10	20	DGCD	
COc1cc(O)c(CN2CCC3(CC2)CC3(F)F)cc1OC	844729026	PQFIDIBMJLLUHF-UHFFFAOYSA-N	313.344	3.031	10	20	DGCD	
COc1ccc(CN(C)c2ccc(OC)c(OC)c2)c(F)c1	845954782	SOURJXSIERNRTH-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCO2)[C@@H](O)c1ccc(F)cc1	921747982	CASVHSIBFGGQNQ-ORAYPTAESA-N	315.388	3.362	10	20	DGCD	
CCCC[C@@H](CN)NCc1cc(C)cc(Br)c1O	841030760	QKROSDLOAJVPMZ-LBPRGKRZSA-N	315.255	3.070	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1cnnn1-c1ccccc1	924901795	VELVUBQUKAHAOL-CQSZACIVSA-N	320.396	3.053	10	20	DGCD	
CC(C)=C(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	751362334	SXSOEUBXRVMQOL-HNNXBMFYSA-N	302.418	3.057	10	20	DGCD	
Cc1nccn1C[C@H](C)CN[C@H](C)c1cc(F)cc(F)c1O	756534207	LFNQTEYWQHQTOV-GHMZBOCLSA-N	309.360	3.162	10	20	DGCD	
CC[C@@H](C)[C@](C)(O)CNCc1c(O)cccc1Br	858135611	ZVJXWMLTVYGMCC-QMTHXVAHSA-N	316.239	3.041	10	20	DGCD	
CCCN(CC(=O)OCC)Cc1cc(C(C)(C)C)cc(O)c1O	756908740	JPWOFGPEXXAEFE-UHFFFAOYSA-N	323.433	3.170	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC(C)(C)F	852384545	DINXSOHLAWZHDB-CQSZACIVSA-N	323.456	3.429	10	20	DGCD	
CC(C)CNC(=O)C1CCN(Cc2cc(Cl)ccc2O)CC1	768228666	HVBLCPLEUBDMOL-UHFFFAOYSA-N	324.852	3.030	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1F	862228929	KXDAVNXOCSEEQP-GFCCVEGCSA-N	320.387	3.134	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)c1O	774942246	JQIYAZAPKKPDJC-GMXVVIOVSA-N	308.378	3.223	10	20	DGCD	
Cc1conc1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	1116718357	UUCCCNPEKZZICG-UHFFFAOYSA-N	316.405	3.492	10	20	DGCD	
Cc1ccc2c(c1)N[C@@H](c1cc(F)c(N(C)C)cc1F)NC2=O	877865923	LZNCEWYMVLDVOF-MRXNPFEDSA-N	317.339	3.193	10	20	DGCD	
COCCN(Cc1cccs1)Cc1cc(OC)ccc1O	775644994	ZSRVJIADGUUWMY-UHFFFAOYSA-N	307.415	3.111	10	20	DGCD	
CC[C@H](NCc1cccc(OC)c1O)[C@@H](O)c1ccccc1	873192398	ATCQPWVAUFYZSH-RDJZCZTQSA-N	301.386	3.003	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3CC[C@H](C)C3)CC2)cc1	776308199	HFCCSSWVPQNOBP-JKSUJKDBSA-N	316.445	3.170	10	20	DGCD	
CC(C)c1ccc(OCCNC(=O)c2cccc(O)c2O)cc1	776334994	ADUFJLCSVCQURO-UHFFFAOYSA-N	315.369	3.030	10	20	DGCD	
CCCn1cc(-c2cn(Cc3ccc(N(C)CC)cc3)nn2)cn1	881317089	ZWSHXJPDOZOESB-UHFFFAOYSA-N	324.432	3.056	10	20	DGCD	
COC(=O)c1ccc(CNCc2ccc(N(C)C)cc2)cc1C	892476536	VSAQRIYDBNVDMP-UHFFFAOYSA-N	312.413	3.137	10	20	DGCD	
C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1	898449660	IQJNPURZZTXIRE-DNVCBOLYSA-N	312.461	3.101	10	20	DGCD	
COCCc1ccccc1NCc1ccc(OC)c(OC)c1O	893928958	AWONVQSGUYDTKY-UHFFFAOYSA-N	317.385	3.210	10	20	DGCD	
CN(C)Cc1ccc(NC(=O)c2cc(O)cs2)cc1Cl	795938373	VMLDIHIWIAMPMS-UHFFFAOYSA-N	310.806	3.421	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc2c(cn1)CCCC2	794746385	WUAJGTSUVSNYJK-SOFGYWHQSA-N	310.353	3.024	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C\C1CC1	1324696285	QYCCBDYDVAISJY-WAYWQWQTSA-N	301.434	3.250	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[C@@H](F)C1	1328656040	CVHBMCIKBIFAEU-VXGBXAGGSA-N	300.761	3.126	10	20	DGCD	
CCOC(=O)C[C@H]1CCCN1Cc1ccc2ccccc2c1O	1324337615	SVUXVCJNZLPUDM-MRXNPFEDSA-N	313.397	3.463	10	20	DGCD	
CN1CCC[C@]2(CCN(Cc3ccc(N4CCCC4)cc3)C2)C1	1261244933	JHDQBKQTTZRSOM-FQEVSTJZSA-N	313.489	3.205	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H](C(=O)O)C3(CCCCC3)C2)cc1	1777039367	LQRJPOXPURISTE-KRWDZBQOSA-N	316.445	3.220	10	20	DGCD	
COCc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	60678827	FMKOFSZUQIQNCK-UHFFFAOYSA-N	312.413	3.171	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2ccco2)C1	113359211	VYBUTCZISHTOBI-OAHLLOKOSA-N	320.820	3.393	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1COc2ccccc21	118783718	QQEXTTFIHDVEMQ-INIZCTEOSA-N	311.381	3.307	10	20	DGCD	
CCOC(=O)c1cccnc1NCc1ccc(N(C)C)c(F)c1	302213145	HRINSBMTTTXUTG-UHFFFAOYSA-N	317.364	3.076	10	20	DGCD	
CCC(=O)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1	181231800	BMFQJTLSLAHLOV-VQHVLOKHSA-N	311.337	3.342	10	20	DGCD	
CCOc1cccc(CN2CCCC[C@@H]2CCC(=O)O)c1O	316286691	KXYHZIGQTHBQLY-CQSZACIVSA-N	307.390	3.010	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCc2ccc3[nH]ccc3c2)c1	181446229	MMYULFOTQHBTDL-UHFFFAOYSA-N	324.380	3.131	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@H](C)N(CCC)Cc1ccccc1O	76074410	TVLNVRNFBVTWNR-GJZGRUSLSA-N	306.450	3.298	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCCC[C@H]12	180507654	LQUBEQVKKWFFSM-HFSQDINGSA-N	301.386	3.148	10	20	DGCD	
CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(F)ccc1O	77472452	YJQFEMWRWBZXGU-CQSZACIVSA-N	306.724	3.381	10	20	DGCD	
COc1cccc2c1OC[C@H](N[C@@H](C)c1cc(C)ccc1O)C2	185334388	VJKVZGUUPHSAMH-DZGCQCFKSA-N	313.397	3.364	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2)c1	182432559	QPBYCWMCBBYJAA-OLZOCXBDSA-N	314.385	3.079	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1Cl	73847529	BMQAJCBFTVGIPD-UHFFFAOYSA-N	303.793	3.073	10	20	DGCD	
CCCN(CCO)Cc1ccc(OCc2ccccc2)cc1O	182953355	HSLSEPSVBMHWOT-UHFFFAOYSA-N	315.413	3.176	10	20	DGCD	
CCCN(Cc1cnc2c(c1)c(C)nn2C)c1ccc(CN)cc1	194981304	XSBVZSDCKDLARZ-UHFFFAOYSA-N	323.444	3.152	10	20	DGCD	
CNC(=O)c1ccc(CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)cc1	323932276	ZSJCPTUNCLSOAQ-CZUORRHYSA-N	324.424	3.398	10	20	DGCD	
CO[C@@H]1C[C@H](NCc2cc(Br)ccc2O)C1(C)C	227832002	SUQBGVBVDSLBRQ-QWHCGFSZSA-N	314.223	3.058	10	20	DGCD	
CC(C)[C@H](Cc1ccccc1)C(=O)NCCc1ccc(N)cc1	236704920	AVVSSDBJZBOBPO-IBGZPJMESA-N	310.441	3.442	10	20	DGCD	
CCOc1cccc(CN2CCOC[C@@H]2c2ccc(C)o2)c1O	93459817	RHHWDQIHDBOKOI-OAHLLOKOSA-N	317.385	3.266	10	20	DGCD	
CN1CC[C@@H]2[C@@H](CCCN2Cc2cc3c(cc2O)CCCC3)C1	245538316	JUGXUYLLKPDOGL-PKOBYXMFSA-N	314.473	3.187	10	20	DGCD	
C/C=C(\C)C(=O)N(CC)Cc1cc(Br)ccc1O	269168342	QRSNNQUIMQEPKF-ONNFQVAWSA-N	312.207	3.469	10	20	DGCD	
Cc1ccc(C[C@H](C)NC(=O)NCc2ccccc2O)s1	265774403	HXJBWEFMKHDGKM-NSHDSACASA-N	304.415	3.193	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCc1ccccc1N	279838571	NXQRIIYRUBRZPA-UHFFFAOYSA-N	312.413	3.346	10	20	DGCD	
C[C@H](N[C@@H](C)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	287360788	OAEGRMVDMICFRB-QWRGUYRKSA-N	320.330	3.264	10	20	DGCD	
CN1Cc2ccccc2[C@@H](NCc2ccc(N(C)C)c(F)c2)C1	378276436	ZBSLOIUOZOLHLE-SFHVURJKSA-N	313.420	3.168	10	20	DGCD	
CC[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	286356685	ZMJLRWZNJAUHID-HOTGVXAUSA-N	307.340	3.445	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCSC1	288066677	SZLUFBXLESISRR-HNNXBMFYSA-N	321.490	3.037	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C	801549370	LPNSAGIFRNINAG-JJRVBVJISA-N	305.418	3.334	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccnc3c2cnn3C)cc1	804357751	MWVLDEKTFBDVLP-UHFFFAOYSA-N	309.417	3.427	10	20	DGCD	
Cc1c(CNC(=O)N2C[C@H]3[C@H](C2)C3(C)C)n(C)c2ccccc12	472284909	MVMISWXUZUMKGB-GJZGRUSLSA-N	311.429	3.284	10	20	DGCD	
COc1cccc(O)c1CN(C)Cc1ccccc1N(C)C	809787446	CUFKBKLJQCHZIG-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
CCOC1CC(N(C)Cc2cc(C(C)(C)C)cc(O)c2O)C1	808214090	XWJLIKVNVCLNEY-UHFFFAOYSA-N	307.434	3.395	10	20	DGCD	
CC(C)C[C@@H](CNCc1cc(Cl)c(F)cc1O)N(C)C	816534752	SVSOEDYUVJDTFZ-LBPRGKRZSA-N	302.821	3.251	10	20	DGCD	
CC(C)[C@H](C(=O)O)[C@H](C)NCc1c(O)ccc(Cl)c1F	819164977	YFKYWLWMOJMYBW-UFBFGSQYSA-N	303.761	3.020	10	20	DGCD	
CCN(C)c1ccc(CN2CC(=O)N(C)[C@H]2c2ccccc2)cc1	815100714	SQCNXLPEPXPIMM-HXUWFJFHSA-N	323.440	3.116	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccccc1)C(F)F	817224689	WBOKAFWFMBTLNR-DZFYGRHCSA-N	319.307	3.234	10	20	DGCD	
OC[C@@H]1Cc2ccccc2N(Cc2cc(Cl)ccc2O)C1	814169826	NDWYCFGOXBBPKS-GFCCVEGCSA-N	303.789	3.217	10	20	DGCD	
Oc1c(CNC[C@H]2COC3(CCCC3)O2)ccc2ccccc12	816560252	JLBNYMUHGQCOSL-INIZCTEOSA-N	313.397	3.321	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)C[C@@H](O)Cc1ccccc1	816625149	ULNUWQXUIJCZOF-AWEZNQCLSA-N	305.805	3.081	10	20	DGCD	
COCc1ccccc1C(=O)N[C@H](C)c1cc(OC)ccc1O	729277894	ISHKNCMWRBSMGL-GFCCVEGCSA-N	315.369	3.038	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)ccc2OC)c1	729537133	ZBCHGOYQOHQOLU-SNVBAGLBSA-N	319.332	3.040	10	20	DGCD	
C[C@H](N)CCN[C@@H](C)c1cc(Br)cc(Cl)c1O	817953472	PKUGZWMJRIRMPX-YUMQZZPRSA-N	321.646	3.196	10	20	DGCD	
C[C@@H](CN(C)C)NCc1ccc(N(C)Cc2cccs2)cc1	824382966	IADSVCHSWUKELJ-HNNXBMFYSA-N	317.502	3.424	10	20	DGCD	
C[C@@H]1C[C@H](NC2C[C@@H]3CC[C@H](C2)N3C)c2c(O)ccc(F)c21	834891802	JLWKUFLMGFCRAN-JBMNRGHBSA-N	304.409	3.294	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1CCOC1	739688310	NRXONJLFTXEGSM-QGZVFWFLSA-N	316.445	3.062	10	20	DGCD	
CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C	837340652	GWIMUSDERACEBR-UHFFFAOYSA-N	320.776	3.278	10	20	DGCD	
CCN(Cc1csc(COC)n1)c1ccc(OC)c(OC)c1	744390823	KVAMGZOWRXRGFS-UHFFFAOYSA-N	322.430	3.333	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](CCO)Cc1ccccc1	840942494	WADHWEXGKLYERK-LJQANCHMSA-N	312.457	3.144	10	20	DGCD	
CCc1cccc(CNCc2ccc3c(c2)OCCCO3)c1O	848895507	ULAMNFJMMFXTPT-UHFFFAOYSA-N	313.397	3.406	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1	841829570	RABDMQLUENECAE-IBGZPJMESA-N	323.440	3.132	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](O)c2cc(C)cc(C)c2)c1O	846168330	SEPISCSRWPZLDZ-WMLDXEAASA-N	315.413	3.402	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](O)c2ccc(C)cc2)c1O	846145292	PFQPSRGKCQSQSY-CZUORRHYSA-N	301.386	3.093	10	20	DGCD	
C[C@@H](Nc1cccc2c1OCO2)c1cc([N+](=O)[O-])ccc1O	757656479	ALTXNYSKQABKNY-SECBINFHSA-N	302.286	3.202	10	20	DGCD	
C[C@@H](N[C@H]1CCSC1)c1cc(Br)c(F)cc1O	756734146	UXXAKLGRPUTGIZ-SFYZADRCSA-N	320.227	3.450	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnc1F	857610338	LWWHZFMEJUIFMK-GFCCVEGCSA-N	301.365	3.086	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1ccc(Br)cc1O)C(C)C	756628075	VEFIAZPXFHGOCJ-IINYFYTJSA-N	316.239	3.476	10	20	DGCD	
C[C@H]1[C@H](c2ccccc2)CCN1Cc1cc2c(cc1O)OCO2	751605006	NTJJEGMGRFCIRP-XJKSGUPXSA-N	311.381	3.499	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2ccccc2OC)c1	756790616	PLSHLWOSPAFCNK-LLVKDONJSA-N	301.342	3.361	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC(F)(F)Br)c1	851899766	FOCZZHZEZWZERK-SSDOTTSWSA-N	310.138	3.039	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)cc1	850750979	RPLFLBMNLHDINC-CZUORRHYSA-N	303.406	3.082	10	20	DGCD	
COC(=O)N(C)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1	850550115	LGAFYYOXKBQMSO-HNNXBMFYSA-N	319.449	3.026	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@]2(O)CCc3ccccc32)c(O)c1C	756771521	XPELVJRYZAVPQN-QRWLVFNGSA-N	311.425	3.494	10	20	DGCD	
O=C(OCc1csc(-c2ccoc2)n1)c1cccc(O)c1O	758557130	HWYXNRRAAGJONK-UHFFFAOYSA-N	317.322	3.171	10	20	DGCD	
O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(O)c1O	758560952	ZCZZGVYCQXAFGQ-UHFFFAOYSA-N	323.688	3.016	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC(c3ncco3)CC2)c1O	931448460	GBSKRAAXRIEVSU-UHFFFAOYSA-N	318.348	3.102	10	20	DGCD	
Cc1cnc(N2CCN(Cc3c(O)cccc3Cl)CC2)s1	769456304	ISVVXNXXFIKMOT-UHFFFAOYSA-N	323.849	3.133	10	20	DGCD	
COc1cc(CN2CCC[C@H](N3CCCC3)CC2)c(O)cc1C	768445679	IBNWETGDVBBHRC-KRWDZBQOSA-N	318.461	3.160	10	20	DGCD	
CC[C@@H](NCCCN1CCCCC1=O)c1ccc(N(C)C)cc1	765846826	ZSMMVSUARNSMLU-GOSISDBHSA-N	317.477	3.196	10	20	DGCD	
CCOc1ccc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1	766090540	VIMNBYAPDZRDIG-SJORKVTESA-N	307.434	3.473	10	20	DGCD	
CCN(CC)CCOCCN[C@H]1C[C@H](C)c2c(C)ccc(O)c21	1116588332	CTMRUIDLZNSIHS-HOTGVXAUSA-N	320.477	3.197	10	20	DGCD	
CC(C)Nc1ccccc1NCC(=O)N1C[C@@H](C)C[C@H](C)C1	871847847	XXPWSKXXZGYFRX-GJZGRUSLSA-N	303.450	3.423	10	20	DGCD	
CCC[C@@H](CC)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	874094308	ZRDRYHSFHMKVPN-OAHLLOKOSA-N	322.424	3.105	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2O)C[C@@H](C)N1C(=O)OC(C)(C)C	779019321	SHOXWYMMJGRBBF-OKILXGFUSA-N	320.433	3.222	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CC(N)=O)C2CCCCC2)cc1	773841920	XVWSYALQKZJQME-GOSISDBHSA-N	317.477	3.057	10	20	DGCD	
CCOc1ccc(O)c(CNc2ccc(N3CCCC3)cn2)c1	776036635	OWFBGNNXVXDBDQ-UHFFFAOYSA-N	313.401	3.398	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CCCC(F)(F)C3)cc2)CC1	877088198	CUHDGWXGTIWCIW-HNNXBMFYSA-N	324.415	3.315	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1	773393508	WWYYZWGASMJJIU-DGCLKSJQSA-N	311.376	3.301	10	20	DGCD	
Cc1ncsc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773277102	QTOJXXLZYMYEKL-NSHDSACASA-N	318.446	3.078	10	20	DGCD	
COCC[C@@H](Cc1ccco1)NCc1cc(F)cc(F)c1O	883086512	XPLQTQBYSXVKOC-ZDUSSCGKSA-N	311.328	3.001	10	20	DGCD	
CC(C)[C@@H](CN[C@@H](C)c1cc(F)ccc1O)c1ccnn1C	788257569	AHHXEVZGESLKGL-SWLSCSKDSA-N	305.397	3.355	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1C[C@@H](O)Cc2ccccc21	789761524	IHRARDZOVMEBGL-NSHDSACASA-N	307.752	3.108	10	20	DGCD	
Cc1cc(Br)cnc1N(C)Cc1ccccc1O	302674976	UAOCHVOQRAKNDD-UHFFFAOYSA-N	307.191	3.495	10	20	DGCD	
COc1ccc(CN(C)[C@H]2C[C@](C)(OC)C2(C)C)c(O)c1OC	892203090	QEOZLTWSKRPIIB-KSSFIOAISA-N	323.433	3.045	10	20	DGCD	
CC[C@H]1COCCN1Cc1ccc(N(C)C)cc1C(F)(F)F	792789113	UYOHZQIRBUOFFN-ZDUSSCGKSA-N	316.367	3.382	10	20	DGCD	
OC[C@@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1	1327740304	MBMAAGPIOIHIFJ-GOSISDBHSA-N	322.452	3.458	10	20	DGCD	
C[C@@H](NC(=O)N1CC2CCC1CC2)c1ccc(N(C)C)cc1	1255140570	QDYKXHUAIZKWJP-TUBUQKNSSA-N	301.434	3.398	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1cc(N(C)C)ccn1	1331995167	BNRCRKQYIVRKHD-CJNGLKHVSA-N	311.429	3.500	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](CO)CC2CCOCC2)c(O)c1C	1339285723	BQMWJTCVDODKMX-DOTOQJQBSA-N	321.461	3.085	10	20	DGCD	
CN(C)c1cccnc1CNCc1ccc(N2CCCC2)cc1	1343503773	OSHWCTFFKJXKAT-UHFFFAOYSA-N	310.445	3.038	10	20	DGCD	
CC[C@@]1(C(=O)O)CCCN(Cc2cc(Cl)c(C)cc2O)C1	1603609406	JJDMAIABLHLDLR-MRXNPFEDSA-N	311.809	3.431	10	20	DGCD	
C[C@H](NCC[C@H](C)N1CCCCC1)c1cc(C(=O)O)ccc1O	1609779442	PSQCXRKDCRFTIZ-KBPBESRZSA-N	320.433	3.006	10	20	DGCD	
O=C(O)[C@@H](CNCc1ccc2c(c1)CCCO2)C1CCCCC1	1601653638	QLURAYJBZUXADH-KRWDZBQOSA-N	317.429	3.382	10	20	DGCD	
CN(C)c1ccc(/C=C\CN[C@@H](C(=O)O)c2ccccc2)cc1	1606053867	CZJLEPFHZUZBRW-HPFMTEOYSA-N	310.397	3.181	10	20	DGCD	
CCCC[C@@H](N)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	1577400691	FEBVXASCKYVQKJ-QGZVFWFLSA-N	305.466	3.009	10	20	DGCD	
Nc1ccc(CC(=O)N2CCc3c(Cl)cc(F)cc3C2)cc1	1580442698	DHRZPVZCZBTYJK-UHFFFAOYSA-N	318.779	3.189	10	20	DGCD	
CCC[C@H](CC(=O)O)NCc1ccc2c(c1)CCCN2CC	1776829828	JHJIFWJJTRZRKJ-MRXNPFEDSA-N	304.434	3.192	10	20	DGCD	
CC[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	163404512	KOCNGQDYFAZUTR-GFCCVEGCSA-N	316.367	3.430	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(c3cccs3)CC2)c1	164487182	AWGLHJYAMFVVBE-UHFFFAOYSA-N	302.443	3.393	10	20	DGCD	
CCN(CC)c1ccc(/C=C/c2nc3cnccc3c(=O)[nH]2)cc1	151496978	CRPPBXMNEARLOO-JXMROGBWSA-N	320.396	3.335	10	20	DGCD	
Oc1ccc(Br)cc1CNC[C@H]1C[C@H]2C=C[C@H]1C2	809713558	SZEAQVDITGXVRO-SDDRHHMPSA-N	308.219	3.457	10	20	DGCD	
CCN(CC)c1ccc(/C=C2/SC(=S)NC2=O)cc1F	172680483	DOYNDINDRCTJGQ-XYOKQWHBSA-N	310.419	3.161	10	20	DGCD	
Cc1nccn1C[C@H](C)CN[C@H](C)c1ccc(N(C)C)cc1	178698609	LPAXRYYTNDUZHG-HUUCEWRRSA-N	300.450	3.244	10	20	DGCD	
CC(C)[C@@H]1CCCN(c2nnc(-c3sccc3O)n2C)C1	1350469552	KZISXOMLJZHHHW-LLVKDONJSA-N	306.435	3.122	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2ccc(Cl)cc2)c1	182410377	YQIGUIKVXOLDKE-PIGZYNQJSA-N	321.804	3.438	10	20	DGCD	
Cc1ccc([C@H](C)NC2CCN(C(=O)CC(C)C)CC2)c(O)c1	185215247	ORSLEAPZXNLEEM-HNNXBMFYSA-N	318.461	3.388	10	20	DGCD	
CO[C@@H](C)c1nc(CN(C)c2ccc3c(c2)OCO3)cs1	121266460	WDBWNWYMOYEUPY-JTQLQIEISA-N	306.387	3.216	10	20	DGCD	
Cc1ccccc1[C@H](O)CN[C@H](C)c1ccc(F)c(F)c1O	187716651	WJDQYGZUEIBVEQ-IAQYHMDHSA-N	307.340	3.363	10	20	DGCD	
Cc1sc(NC(=O)CN(C)Cc2ccccc2O)c(C)c1C	72629621	RPDQQLBFVCTSAK-UHFFFAOYSA-N	318.442	3.449	10	20	DGCD	
Cc1cc(CNC2CCS(=O)CC2)c(C)n1-c1ccccc1	317508659	HNOIYOIKTZKKQH-UHFFFAOYSA-N	316.470	3.095	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(-c3ncco3)c2)c(O)c1O	182901171	XJKDWYFPNMOEKK-UHFFFAOYSA-N	310.309	3.314	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1	321292706	KXUFXUKBKDFMNJ-LUIPGBGBSA-N	316.357	3.462	10	20	DGCD	
CN(Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)OCO2	44757763	CXYRQGSZNVCBGG-UHFFFAOYSA-N	307.296	3.031	10	20	DGCD	
Cc1c(CNC(=O)NC2(C(F)F)CC2)n(C)c2ccccc12	337822222	VBILRGRUOCXDDP-UHFFFAOYSA-N	307.344	3.084	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@H](c3ccccc3F)C2)cc1	92975014	DDDDEVUYBNDTLC-IBGZPJMESA-N	314.404	3.465	10	20	DGCD	
Oc1ccccc1CN(C[C@H]1CCCO1)c1ncc(Cl)cn1	92925757	OFYMVYRWUIWEMM-CQSZACIVSA-N	319.792	3.021	10	20	DGCD	
CC(C)COc1ccc(CC(=O)NCc2ccccc2O)cc1	264382684	CJSLAHCRBDXHFI-UHFFFAOYSA-N	313.397	3.286	10	20	DGCD	
CC[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccccc1O	274934489	RPLAWHRNYFZNHK-LSDHHAIUSA-N	307.340	3.445	10	20	DGCD	
Cc1nccnc1CCN[C@@H](C)c1cc2c(cc1O)CCCC2	295007785	MLUBSHYAFPUOJD-ZDUSSCGKSA-N	311.429	3.263	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2CN(C3CC3)C[C@H]2C)c1O	808701824	JWKLOHAFBAEILM-WQGACYEGSA-N	308.853	3.487	10	20	DGCD	
Cc1nnsc1CNCc1ccc(N2CCCCC2)cc1	291758377	REFVWCPZSUOZEG-UHFFFAOYSA-N	302.447	3.127	10	20	DGCD	
Oc1c(CN2C[C@H](O)Cc3ccccc32)ccc2ccccc12	816593881	HNYNAUCXEWMGAK-QGZVFWFLSA-N	305.377	3.469	10	20	DGCD	
COc1cccc(CN2Cc3cnn(-c4ccccc4)c3C2)c1O	816668771	XOINQRYMDYMAEF-UHFFFAOYSA-N	321.380	3.102	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H]1CCCNC1)c1cc2c(cc1O)CCCC2	817947379	MKBZCNHCTBEGND-ZQIUZPCESA-N	302.462	3.310	10	20	DGCD	
COc1cc(F)c(F)cc1NCc1cc([N+](=O)[O-])ccc1O	810164986	SORSGKAPNOTULE-UHFFFAOYSA-N	310.256	3.199	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc3c(c2)CNC3)c2c(O)ccc(F)c21	817968545	LIKUULRVQGKKFO-MEDUHNTESA-N	312.388	3.473	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCc3cc(F)ccc32)cc1	817938966	WNRRDMUONLWSPB-MOPGFXCFSA-N	313.420	3.169	10	20	DGCD	
Cc1cc(C(=O)OCC2(C)COC2)c(C)n1-c1ccc(F)cc1	727047963	HNCUSRRTJMLFGX-UHFFFAOYSA-N	317.360	3.427	10	20	DGCD	
CCn1nnc(C)c1CN1CCCc2cc(OC(F)F)ccc21	824161231	LFEWHLTYHMJROJ-UHFFFAOYSA-N	322.359	3.161	10	20	DGCD	
COc1cccc(C[C@@H]2CCCN2C(=O)c2cc(O)cs2)c1	732274678	LZKHUPQPSQMUME-ZDUSSCGKSA-N	317.410	3.310	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(C)cs2)c1	836581113	HFTWPNPVSALRSZ-LLVKDONJSA-N	320.414	3.331	10	20	DGCD	
CC[C@H](N[C@@H](C)Cc1cnn(C)c1)c1ccc(N(C)C)cc1	834895635	CKMCHVRHOYFPNP-KSSFIOAISA-N	300.450	3.158	10	20	DGCD	
C[C@H]1C[C@H](c2ccccc2)CN1Cc1cc2c(cc1O)OCO2	734477170	LWCCUDCUOUJOFF-ZFWWWQNUSA-N	311.381	3.499	10	20	DGCD	
CC[C@H](C)[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OC	836407463	ZXMRPXJRTDCKKJ-VBQJREDUSA-N	321.465	3.174	10	20	DGCD	
C/C(=C\C(=O)N1CCCc2ccc(C)c(F)c21)c1cnccn1	839440933	DJLAEEZZOOPZCH-JLHYYAGUSA-N	311.360	3.307	10	20	DGCD	
Nc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1	841296140	PCYDKNVWQSAMJJ-IAGOWNOFSA-N	311.385	3.311	10	20	DGCD	
Nc1ccc(CCNC(=O)N(Cc2ccccc2)C2CC2)cc1	841954231	KFVUMGURUZLCLM-UHFFFAOYSA-N	309.413	3.186	10	20	DGCD	
CC[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(N(C)C)cc1	840886899	CLJDGNWJBZUWQS-OAGGEKHMSA-N	312.404	3.342	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H]2CCOC3(CCC3)C2)c1O	846168190	IBXUEVGJVDTRQA-KBPBESRZSA-N	305.418	3.401	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2CCCC23CCOCC3)c1O	846168720	UNGZDLTVMRQDOV-XJKSGUPXSA-N	305.418	3.401	10	20	DGCD	
N[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H]1c1ccccc1	843115720	QAYFSSUXNCCQOO-GOEBONIOSA-N	320.795	3.111	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1	841836442	OZVXQYBLRLJHRJ-IRXDYDNUSA-N	301.434	3.079	10	20	DGCD	
CCc1cccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O	848907005	GLLITNPLFQMZNB-DZGCQCFKSA-N	317.351	3.090	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](CN)C2CCCCC2)c1O	841039251	HDUDMZCUYDKKSB-AWEZNQCLSA-N	312.841	3.051	10	20	DGCD	
CCO[C@@H]1C[C@@H](N[C@@H](C)c2cccc(OC)c2O)C12CCC2	846144513	HJCTZLPABQCNCA-APHBMKBZSA-N	305.418	3.399	10	20	DGCD	
C[C@@H](C1CCCCC1)N(C)C(=O)NCCc1ccc(N)cc1	841957462	BNWSPMAGAKXKDH-AWEZNQCLSA-N	303.450	3.422	10	20	DGCD	
O=C(NCCCSc1nccs1)NC12CCC(CC1)C2	753219198	JVJZKBCBMYFSCH-UHFFFAOYSA-N	311.476	3.257	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC23CCC(CC2)C3)c1	757053667	RXIYCOLTZVTJRW-WHENESEISA-N	318.417	3.341	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](OC)C2CCCC2)c1	850563603	ZIRCBTFFHKTVNL-PXAZEXFGSA-N	321.417	3.035	10	20	DGCD	
COc1ccc([C@@H](NCc2ccc(N(C)C)cc2)C2CC2)cn1	858343118	XVZCOUJKHQRBQT-IBGZPJMESA-N	311.429	3.397	10	20	DGCD	
CC(C)C[C@@H](O)CN[C@@H](C)c1cc(Br)ccc1O	756498622	VQUQYLGRCUAXSN-CMPLNLGQSA-N	316.239	3.212	10	20	DGCD	
Cc1cccc(CN(C)c2ccc(OCCN(C)C)cc2)c1O	761221209	BVIPAYOEKHNTKH-UHFFFAOYSA-N	314.429	3.277	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC1(O)CCC1	864949412	KUKAEDUMIUKRFZ-UHFFFAOYSA-N	318.461	3.185	10	20	DGCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H]2CCCCCN2C1=O	761582019	YWVBMRJFYUPOQS-XJKSGUPXSA-N	315.417	3.020	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c1O	865650331	IPSBPMLVWWTEJZ-APWZRJJASA-N	313.397	3.411	10	20	DGCD	
CCN(CC)c1ccc(CNC(C)(C)CCC(=O)OC)cc1	762785305	GHPABMKZKWNITH-UHFFFAOYSA-N	306.450	3.354	10	20	DGCD	
C[C@H](Cc1cnn(C)c1)NCc1ccc(N2CCCCC2)cc1	768402881	RUPPWDIRCWIBGB-MRXNPFEDSA-N	312.461	3.131	10	20	DGCD	
Cc1ccc(O)c(CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)c1	769501745	ORRHKRDENKVULU-BQFCYCMXSA-N	300.446	3.007	10	20	DGCD	
Cc1cc(NCc2c(C)cccc2O)ccc1N1CCOCC1	877197284	RDLKZAVAQPZUPP-UHFFFAOYSA-N	312.413	3.458	10	20	DGCD	
CN(C(=O)[C@H]1SCCc2sccc21)c1ccc(N)cc1	877078009	YXMIFNBDIOONLO-AWEZNQCLSA-N	304.440	3.324	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)Cc2c(O)cccc2OC)C12CCC2	770351755	KQPQYVYPOSCQHC-IAGOWNOFSA-N	305.418	3.180	10	20	DGCD	
Nc1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)cc1	1120262862	FUGYRIWLRFXXCW-KRWDZBQOSA-N	302.805	3.496	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3C[C@H]4C[C@@H]4C3)cc2)CC1	888218986	QVHKFGQNKSVKFW-IAGOWNOFSA-N	313.445	3.084	10	20	DGCD	
C[C@H](O)CCCN[C@@H](C)c1cc(Br)c(F)cc1O	788603778	DRZCYNAUPRZOPQ-IUCAKERBSA-N	320.202	3.105	10	20	DGCD	
CC1(C)CC(NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	788579984	IYGZZFSLZCEEII-UHFFFAOYSA-N	306.425	3.065	10	20	DGCD	
Cc1cc(CCNC(=O)NCC2CC2)c(C)n1-c1ccccc1	890106283	XVSXLSMZUGOYKR-UHFFFAOYSA-N	311.429	3.346	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc3c(c2)CCC3)c(O)c1	797608669	VKNFRUJPANNVDI-UHFFFAOYSA-N	312.369	3.211	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)COC2CCC(C)CC2)c1	793687713	AKUQRDQHEGYHGW-ROKHWSDSSA-N	321.417	3.173	10	20	DGCD	
COc1ccc(CNCc2ccc(C[S@@](C)=O)cc2)cc1C	796526173	JXSPRUMERNFASE-JOCHJYFZSA-N	317.454	3.172	10	20	DGCD	
CS[C@H]1CCC[C@H](NC(=O)NCc2cc(C)ccc2O)C1	1330699269	SWPOFTZTMLVVLA-KBPBESRZSA-N	308.447	3.174	10	20	DGCD	
CCOc1ccc(CNCc2cc(F)cc(F)c2O)cc1OC	1331924360	FUJWZERGIDZDTL-UHFFFAOYSA-N	323.339	3.368	10	20	DGCD	
CCS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1	1336847788	HWAQAYZFRDCRIH-GJZGRUSLSA-N	307.463	3.132	10	20	DGCD	
O=C(NC/C=C/C1CC1)NCc1cc(Cl)cc(Cl)c1O	1330853646	JOUOHSSHYHECPA-OWOJBTEDSA-N	315.200	3.464	10	20	DGCD	
Cc1ccc(-n2c(C)cc(C(=O)CSCCN)c2C)cc1F	1579655686	INEHJGVXGNGDSH-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
CN(C)c1ccc(OCc2ccc3c(c2)COC3)cc1C(=O)O	1598328009	AWKMYFGLHFMUJJ-UHFFFAOYSA-N	313.353	3.060	10	20	DGCD	
C[C@@]1(NCc2c(O)ccc(Cl)c2F)CCCC[C@H]1C(=O)O	1594059985	IUQZAIGSKXSYIL-ZUZCIYMTSA-N	315.772	3.308	10	20	DGCD	
CN(C)c1ccc(CN2CC=C(C3(C(=O)O)CCC3)CC2)cc1	1777039397	UOHIIMIACMHCBI-UHFFFAOYSA-N	314.429	3.140	10	20	DGCD	
Cc1ccc(O)c(CNC(C)(C)c2cn(-c3ccccc3)nn2)c1	154042167	NWHINUJLEJLRDB-UHFFFAOYSA-N	322.412	3.306	10	20	DGCD	
CCOc1cccc(CN(C)Cc2nccn2C(F)F)c1O	154991913	NCVKWAYEDGKTPA-UHFFFAOYSA-N	311.332	3.015	10	20	DGCD	
C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1CN	70175416	GJHIXPPGJTXDGU-TVQRCGJNSA-N	303.233	3.258	10	20	DGCD	
COC(C)(C)CCNCc1cccc(Br)c1O	711870324	RAYHWEQTSYGQNC-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
CCCNC(=S)N(C)Cc1ccc(N2CCCCC2)cc1	7404429	XFXVWOUFXRNCIF-UHFFFAOYSA-N	305.491	3.393	10	20	DGCD	
COc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)cc(OC)c1	54499057	WZORQQGGHDLAET-QPEQYQDCSA-N	321.423	3.067	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cnn(CCC)c1	174104664	HGUQZPBIMQGAJY-UHFFFAOYSA-N	316.405	3.443	10	20	DGCD	
C[C@]1(CNCc2ccccc2O)CCN(Cc2ccccc2)C1	309702077	GMWKUDZUZGXKLJ-HXUWFJFHSA-N	310.441	3.394	10	20	DGCD	
CC[C@H](CSC)NC(=O)NCCCSc1nccs1	179593838	RFZJEMHXWLTNEN-SNVBAGLBSA-N	319.521	3.066	10	20	DGCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccs1	21048344	WYLYIYKSJUIFGF-AWEZNQCLSA-N	302.443	3.436	10	20	DGCD	
CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	121506213	HQXVMYYWOHAXKK-FUHWJXTLSA-N	313.445	3.441	10	20	DGCD	
C[C@@H](NC[C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O	187731405	JWSPEMQYXZNBMM-OCCSQVGLSA-N	321.367	3.487	10	20	DGCD	
CCS[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O	78368525	VXGCCAXHYQHVRB-HIFRSBDPSA-N	308.447	3.256	10	20	DGCD	
CN(CC(=O)Nc1ccccc1Cl)c1ccc2c(c1)OCO2	121240317	MWSFLBKDJLPYTM-UHFFFAOYSA-N	318.760	3.144	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc3ncsc3c2)c(O)c1O	182011444	ABHKUHJJDBUIPY-UHFFFAOYSA-N	300.339	3.268	10	20	DGCD	
CS[C@H](C)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	90726637	MXJJVQYMFMZDIS-OLZOCXBDSA-N	312.454	3.064	10	20	DGCD	
CCCCO[C@@H]1C[C@@H](NCc2ccc(OC)cc2O)C1(C)C	236851250	SXGIUKFTJVRVGH-IAGOWNOFSA-N	307.434	3.474	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1ccncc1Cl	267373312	KIHBBFPOXSAJIZ-UHFFFAOYSA-N	317.820	3.208	10	20	DGCD	
C[C@@H](NC[C@@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1	279687311	ANTJLRKOXZHSIT-KGLIPLIRSA-N	324.465	3.066	10	20	DGCD	
COc1cccc(CNc2cc(Cl)nc(C3CC3)n2)c1O	271176976	LKRPOBJVXAAYQO-UHFFFAOYSA-N	305.765	3.334	10	20	DGCD	
COc1cc(O)c(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)cc1OC	271840661	QPAOJLMUSFHOPL-SUMWQHHRSA-N	323.433	3.093	10	20	DGCD	
CCOc1ccc(O)c(CN2CCOC[C@H]2c2ccccc2)c1	378344318	ZPLBVHKCNHQCNV-SFHVURJKSA-N	313.397	3.364	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@H]1COc2ccccc21	809790367	CIJGOPGYWBGNTK-NSHDSACASA-N	307.752	3.451	10	20	DGCD	
CCN(CCCN1CCCC1)Cc1c(O)ccc(Cl)c1F	809749814	KJWSASYLQPOBBQ-UHFFFAOYSA-N	314.832	3.493	10	20	DGCD	
CCc1cc(CN(C)Cc2nncn2C)c(O)c(C(C)(C)C)c1	808214746	SXTDQURGGUCQJP-UHFFFAOYSA-N	316.449	3.013	10	20	DGCD	
C[C@H](c1ccccc1)N(C)C(=O)COc1ccc(N(C)C)cc1	810002438	XHFHYFSBFDVGNN-OAHLLOKOSA-N	312.413	3.351	10	20	DGCD	
C[C@@H](NC[C@@H](N)C1CC1)c1ccc(N2CCCCC2)c(F)c1	817965610	SCYGDSOZGTYXLM-CXAGYDPISA-N	305.441	3.204	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NOCCOC(C)C)cc1	812802699	UGMCLOWDYFCZKO-UHFFFAOYSA-N	316.401	3.181	10	20	DGCD	
C[C@@H](N[C@H](CO)C1CCCC1)c1cc2c(cc1O)CCCC2	810259546	LQMZWJJQCOVZFU-FZKQIMNGSA-N	303.446	3.473	10	20	DGCD	
C[C@@H]1C[C@H](NCCc2ccc(N)cc2)c2c(O)ccc(F)c21	817958407	VJMMGFQZLXUIHF-ABAIWWIYSA-N	300.377	3.494	10	20	DGCD	
C[C@H](NC1CCC(N)CC1)c1ccc(Br)cc1O	817948069	UDPDAXCNNWZWML-GCVQQVDUSA-N	313.239	3.075	10	20	DGCD	
Cc1cc(CN2CCN(C3CCC3)C[C@H](C)C2)ccc1N(C)C	815120492	JZNWXFFRTZBKHU-MRXNPFEDSA-N	315.505	3.367	10	20	DGCD	
CCOC(CCNCc1ccc2ccccc2c1O)OCC	816589014	IRRJEICHBABPTJ-UHFFFAOYSA-N	303.402	3.424	10	20	DGCD	
CC(C)[C@H](O)C(C)(C)CNCc1cc(Cl)c(F)cc1O	816559666	QVWGIFFRWWJAQL-AWEZNQCLSA-N	303.805	3.317	10	20	DGCD	
C[C@@H](Cc1ccco1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	725843703	CSJLTZDORYOYAB-VIFPVBQESA-N	310.737	3.268	10	20	DGCD	
CC[C@@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)C1CC1	822572315	KIUDRKQSMZGJDL-QGZVFWFLSA-N	303.450	3.473	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@H]1C1CCC1	823770264	OTYYZLQTDSBXMR-WMZOPIPTSA-N	315.461	3.330	10	20	DGCD	
CN1CCC[C@@H](CCNCc2cc(Cl)cc(F)c2O)C1	839180119	CIRKRLQYXCJHKG-NSHDSACASA-N	300.805	3.006	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)N(C)Cc2ccco2)cc1	734147399	PDYXEXJMAKLYML-UHFFFAOYSA-N	316.401	3.163	10	20	DGCD	
COC[C@@H]1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1	739867354	BAASFIHCKQEALJ-CYBMUJFWSA-N	315.413	3.486	10	20	DGCD	
C[C@@H](NC[C@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O	840879643	FRBMBTHYJPWVFS-DGCLKSJQSA-N	307.340	3.097	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCSC2)cc1	742778648	RAEGRBSKPIHENL-HNNXBMFYSA-N	300.427	3.329	10	20	DGCD	
CCC[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H](O)c1ccccc1	841296624	GPQNGLXJBVHSAD-IAGOWNOFSA-N	313.401	3.293	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)[C@@H]1C	841889347	BZEUDNMZZFGTIV-KFWWJZLASA-N	306.425	3.139	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccn1	848225239	FIBAHRAUOBPOAW-INIZCTEOSA-N	323.440	3.492	10	20	DGCD	
CC[C@@H](O)CCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1	748551096	PLEBOBHMXOGZPU-GOSISDBHSA-N	314.429	3.375	10	20	DGCD	
C[C@H](NC1CCC2(CC1)OCCO2)c1ccc(Cl)cc1O	841745770	SSGADGWUONCWDU-NSHDSACASA-N	311.809	3.382	10	20	DGCD	
CCOc1cccc(CN[C@@H](CC(=O)OC(C)C)C(C)C)c1O	848926932	JXPKCPMYIGPSFP-HNNXBMFYSA-N	323.433	3.247	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCN(C3CCCCC3)C2)c1O	850381914	LBTSPZBRDBZPHC-MRXNPFEDSA-N	318.461	3.288	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(C)cc1O	850503748	YTEHHWVWKVJTIB-PBOVLVJJSA-N	309.475	3.431	10	20	DGCD	
CCC[C@@H](OCC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	858341334	GDRLFMODIJUGHU-GOSISDBHSA-N	318.461	3.449	10	20	DGCD	
C[C@@H](NCC1CCN(CC2CC2)CC1)c1cc(F)ccc1O	850582828	LMMXXFFVXLJVBJ-CYBMUJFWSA-N	306.425	3.304	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](c2cnn(C)c2)C(C)C)c1O	927069701	ZVUHUHAYGOCKIO-MLGOLLRUSA-N	303.406	3.182	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCCCS2)c1	757659774	ZJGGVUCOAFGFFP-WCQYABFASA-N	309.431	3.115	10	20	DGCD	
C[C@H](NC[C@@H]1CCCO1)c1cc(Br)c(F)cc1O	756354390	AAWFCEJQEUXFDM-IUCAKERBSA-N	318.186	3.123	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccc(F)cc2)c1	862758956	REPVDEMIIMCMGV-CYBMUJFWSA-N	301.361	3.335	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	769148937	VQACGKHSOUASMC-HNNXBMFYSA-N	306.425	3.284	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1	862760479	RSTBTYUVQUSGDF-QWHCGFSZSA-N	317.335	3.399	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCc2cn(C)c3ccccc23)c1	862757715	CPVOBRUUYWPVQK-UHFFFAOYSA-N	322.408	3.441	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N(C)C)cc1	766332369	NJPOYBRVSHLWKG-SJLPKXTDSA-N	318.461	3.354	10	20	DGCD	
CSc1ccccc1CC(=O)N(C)Cc1ccccc1O	777415294	TXOLMFHTKSHVNI-UHFFFAOYSA-N	301.411	3.315	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)c1nnnn1C1CCCCC1	879648807	ALHNYWBWHKSHDM-OLZOCXBDSA-N	315.421	3.296	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@@H](C)C3)CC2)cc1	776318201	ZQIHELBTGGULPK-HUUCEWRRSA-N	316.445	3.216	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1c(O)cccc1F	886551595	KOQNRYRESHWTLC-DOMZBBRYSA-N	320.408	3.116	10	20	DGCD	
CCOC(=O)C[C@](C)(NCc1ccc(OCC)cc1O)C(C)C	775373950	FNIZOZGLLOJZJD-SFHVURJKSA-N	323.433	3.248	10	20	DGCD	
CCCc1ccc(Cn2cc(COc3ccc(N)cc3)nn2)cc1	881329257	MYAOIFQEZLJIEH-UHFFFAOYSA-N	322.412	3.440	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC(C)(C)OC)cc1F	785078553	SKHPMGCAFQDFGZ-UHFFFAOYSA-N	310.413	3.103	10	20	DGCD	
CC(C)[C@@H](NCc1ccc2c(c1)CCO2)[C@H](O)c1ccccc1	788541971	ZZBXFQWLJRCFJU-WOJBJXKFSA-N	311.425	3.469	10	20	DGCD	
CSCc1cccc(CNC(=O)NCc2ccccc2O)c1	782638794	RVMLEZFWNMJYFA-UHFFFAOYSA-N	316.426	3.255	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC(N2CCCCC2)CC1	893919470	JUSREUQTOFGMAJ-UHFFFAOYSA-N	310.388	3.121	10	20	DGCD	
Cc1nc(CC2CCN(Cc3c(O)cccc3Cl)CC2)no1	896550462	AEPRYSKAFOPJJS-UHFFFAOYSA-N	321.808	3.192	10	20	DGCD	
COc1cc(C)cc(CNCc2ccc(OC)c(OC)c2O)c1	893192136	QSBPVEQMRKVCDE-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C2CC2)O1	794652141	IEPWUUZXDXWZRQ-SJKOYZFVSA-N	319.445	3.395	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](CO)CC2CCCC2)c1	798938080	RKEGAPBQRUQVFW-HIFRSBDPSA-N	307.434	3.240	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2nocc2C)cc1	1319409739	YQKISIPDPLDHEJ-UHFFFAOYSA-N	316.405	3.493	10	20	DGCD	
CC(C)(C)c1cnc(NC(=O)c2c(F)ccc(O)c2O)s1	1261259421	GXSWSDSYBDLGTP-UHFFFAOYSA-N	310.350	3.243	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)NC(C)(C)C	101595765	VEUWOTDEEJBKSW-QMMMGPOBSA-N	319.232	3.092	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(N(C)C)nc1	1342388626	AVLONFOVPBQYDZ-HIFRSBDPSA-N	311.429	3.500	10	20	DGCD	
Cc1ccc(O)c(CN2C[C@@H](C(=O)O)[C@@H](c3ccccc3)C2)c1	1610509276	DYPFNPNODGNXET-IAGOWNOFSA-N	311.381	3.001	10	20	DGCD	
CCOc1ccc(N(CC)Cc2ccc(C(=O)O)cn2)cc1	1597105268	DRXFXPUBQWLPAE-UHFFFAOYSA-N	300.358	3.205	10	20	DGCD	
CN(Cc1cccc(C(=O)O)c1Cl)c1ccc2c(c1)OCO2	1777073243	APRHOUAZEAXXBT-UHFFFAOYSA-N	319.744	3.403	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C[C@H](C)c2cccc(F)c2)c1	116452156	HKTDJRUGBHFITE-LBPRGKRZSA-N	317.360	3.350	10	20	DGCD	
C[C@H]1CN(C)c2ccccc2N(C(=O)/C=C/c2cccnc2)C1	173738044	ZLIZWKQDPIMNHL-FEAKQIBJSA-N	307.397	3.214	10	20	DGCD	
Nc1nc(NCCCSc2nccs2)nc2ccccc12	301788391	QIQBYPTVRBKXTD-UHFFFAOYSA-N	317.443	3.263	10	20	DGCD	
CC(C)(C)CNC(=O)C(C)(C)NCc1cc(Cl)ccc1O	121177218	OKLOZANVEHOYEB-UHFFFAOYSA-N	312.841	3.076	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)NC3CC=CC3)cc2)CC1	120786685	FAFNNBBBEWJTSQ-UHFFFAOYSA-N	313.445	3.441	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC2(C)CCOCC2)cc1	129987649	JASIWFXXKFVHPO-UHFFFAOYSA-N	312.413	3.393	10	20	DGCD	
CO[C@H](C)c1noc(CN(C)c2ccc(OC(C)C)cc2)n1	191589612	XFXCMADISRJRID-GFCCVEGCSA-N	305.378	3.201	10	20	DGCD	
Cc1c(CNC(=O)NCc2ccccc2)n(C)c2ccccc12	349101697	FTIQBOIPDLMRLX-UHFFFAOYSA-N	307.397	3.486	10	20	DGCD	
C[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1O	183546809	GMTOWLBJTVGBHO-GFCCVEGCSA-N	308.422	3.346	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CCO1	279772507	AKKOPAVPISRSKU-AAEUAGOBSA-N	316.367	3.429	10	20	DGCD	
C[C@H](NC[C@@H](O)CCc1ccccc1)c1ccc(F)cc1O	273475441	SSCMWJKGXZCUKI-BBRMVZONSA-N	303.377	3.176	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ncnn2-c2ccccc2)c(O)c1C	279620523	YEMOSZLODHNEEH-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@@H](CC)c1ccc(C)cc1O	280166374	QYTYHOOKYAHHSD-WBVHZDCISA-N	308.466	3.098	10	20	DGCD	
CC[C@@H](CC(=O)NCc1ccc(N)cc1)c1ccc(OC)cc1	297131689	HJAIIEGIJCLXAJ-HNNXBMFYSA-N	312.413	3.478	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1ccc(C(F)F)cc1	808105457	GVNAALMGLWIOHL-UHFFFAOYSA-N	317.288	3.270	10	20	DGCD	
CSCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O	805130887	BDTWONHUIXLGPH-UHFFFAOYSA-N	323.245	3.251	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1cnccc1Cl	293710778	LTVWYFWBUSBXQX-UHFFFAOYSA-N	318.804	3.422	10	20	DGCD	
C[C@@H](Nc1ccc(F)cn1)c1ccc(N2CCOCC2)cc1	804378509	UPRCLWXRMIAMEJ-CYBMUJFWSA-N	301.365	3.230	10	20	DGCD	
C[C@H]1[C@@H](N2CCCC2)CCN1Cc1cc2c(cc1O)CCCC2	808194787	ZWXHNSVGTQFUBT-KXBFYZLASA-N	314.473	3.330	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2cccc(N3CCNC3=O)c2)c(O)c1	390313906	OFKVNQYFCUJEKD-CYBMUJFWSA-N	311.385	3.403	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)c(OC)c1	808093234	KMBCJUIWQQMGGD-UHFFFAOYSA-N	320.385	3.125	10	20	DGCD	
C[C@@H](NCC1(CC(N)=O)CC1)c1ccc(Cl)c(Cl)c1O	817587147	VGCJVXXQHXZZJU-MRVPVSSYSA-N	317.216	3.005	10	20	DGCD	
CC[C@H](NCC[C@H]1CCNC1)c1ccc(C(F)(F)F)cc1O	817955403	XPOFPIHWZMRAGO-RISCZKNCSA-N	316.367	3.451	10	20	DGCD	
Cc1nnsc1CN[C@H](C)c1cccc(C(F)(F)F)c1O	815629216	XMBHFZBXDOHOIU-SSDOTTSWSA-N	317.336	3.422	10	20	DGCD	
CCCC[C@@H](NCc1c(C)c2ccccc2n1C)C(=O)OC	481608019	LCPPMDDKLAQLKG-OAHLLOKOSA-N	302.418	3.308	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2CCSc3ccccc32)cc1	818545059	DAJSFWZMKVOOLK-MRXNPFEDSA-N	312.438	3.207	10	20	DGCD	
CCN(CC)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C	827349420	ILJAUTGXNQTHQQ-UHFFFAOYSA-N	303.381	3.153	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H]2CCCC2(F)F)c1O	824798281	BPAWGEQTKRBAIN-VIFPVBQESA-N	320.723	3.479	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)COCC(F)(F)F)cc1Cl	825150896	LQRIJQKAPREEON-VIFPVBQESA-N	311.731	3.411	10	20	DGCD	
C[C@@H]1CCC[C@](CNCc2ccc(N(C)C)c(F)c2)(N(C)C)C1	733325811	YOMMPPHEWJDVPK-BEFAXECRSA-N	321.484	3.492	10	20	DGCD	
CCN(Cc1c(O)ccc2ccc(OC)cc12)C[C@@H]1CCOC1	738081023	JJCHOFIGKYBYPJ-AWEZNQCLSA-N	315.413	3.412	10	20	DGCD	
CCCCN(C)CCNC(=O)N(CCC)Cc1ccccc1O	732889401	OEMAECTWISLQNW-UHFFFAOYSA-N	321.465	3.046	10	20	DGCD	
C[C@H](CCC(=O)O)NCc1ccc(N(C)C)cc1C(F)(F)F	904014473	RVEXTJYFALJSTI-SNVBAGLBSA-N	318.339	3.114	10	20	DGCD	
COc1ccccc1C[C@H](C)N(C)C(=O)c1cc(O)cs1	748362428	FSLODMXZKVBSGO-NSHDSACASA-N	305.399	3.166	10	20	DGCD	
COC/C(C)=C/C(=O)NCc1ccc(N2CCC(C)CC2)cc1	845461156	ZWAOFICVZODJHK-FOWTUZBSSA-N	316.445	3.132	10	20	DGCD	
CCc1cccc(CNCCN2CCc3sccc3C2)c1O	848894159	JYBBZOQQIDUXCR-UHFFFAOYSA-N	316.470	3.164	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCO[C@@]2(CCSC2)C1	840937487	VAKJYIAFYXZKFC-WMZOPIPTSA-N	320.502	3.205	10	20	DGCD	
CC[C@H](NC(=O)NCCc1ccc(N)cc1)c1nc(C)cs1	841793200	GUQXGBLYOGDHEU-AWEZNQCLSA-N	318.446	3.027	10	20	DGCD	
COc1cc(CN2CCC[C@@]3(CCSC3)C2)c(O)cc1C	840146704	ZRKZVPDOVXPTJY-QGZVFWFLSA-N	307.459	3.428	10	20	DGCD	
C[C@H](CCCCN)NCc1ccc(N(C)C)cc1C(F)(F)F	841079879	NYKFSCNFSODFJL-GFCCVEGCSA-N	317.399	3.379	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](c2cnn(C)c2)C(C)C)c1	927072685	YRHUTQRBJMLWNV-SJCJKPOMSA-N	303.406	3.182	10	20	DGCD	
CSc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)o1	854271403	FSUZWGYNDQLAEW-UHFFFAOYSA-N	304.415	3.306	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	769375755	PUOXMQHNPVMAJI-UHFFFAOYSA-N	318.354	3.167	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCOC(C)(C)[C@@H]2C)c1O	763415376	JKIFWPZROZAMOY-NSHDSACASA-N	311.809	3.248	10	20	DGCD	
CN1CCCc2cc(CNc3ncnc4c3CCCC4)ccc21	763344526	DYAKXGOUZMAVDQ-UHFFFAOYSA-N	308.429	3.350	10	20	DGCD	
COc1ccc(CNC(C)(C)c2ncc(C)s2)c(O)c1OC	1119954579	RBPPQJSNROYHIW-UHFFFAOYSA-N	322.430	3.199	10	20	DGCD	
COc1cc(OC)c(OC)cc1CNCc1c(C)cccc1O	876885038	SRPMIQVYWWZBPP-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sn1	775657075	FQUSVERDPOPJAS-NSHDSACASA-N	304.419	3.400	10	20	DGCD	
Cc1ccc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c(O)c1	876728603	QNSYPAYGQCINTF-CYBMUJFWSA-N	308.422	3.046	10	20	DGCD	
C[C@@H]1CCCC[C@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1	783199650	PRJRDRGFMIYWSO-NEPJUHHUSA-N	306.358	3.040	10	20	DGCD	
CC(C)[C@H](CNCc1c(O)cccc1Cl)c1ccnn1C	788074818	DTKHLYHRCATNAE-LBPRGKRZSA-N	307.825	3.309	10	20	DGCD	
C[C@H](CN[C@H](C)c1ccc(F)cc1O)NC(=O)OC(C)(C)C	192689095	IAXFMPLXHXSMSP-GHMZBOCLSA-N	312.385	3.095	10	20	DGCD	
C/C=C(/C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@@H]1C	986131441	DBTGGBXBCOKTKA-HUAAUVSZSA-N	316.445	3.049	10	20	DGCD	
COc1ccc(CNCc2nc3c(s2)C[C@H](C)CC3)c(O)c1	1322417455	NNHXWWJHFLRSSN-LLVKDONJSA-N	318.442	3.272	10	20	DGCD	
Cc1cccc(N(CC(C)(C)C)C(=O)/C=C\c2cnn(C)c2)n1	1350181145	XIRCFTGQUXTHFV-KTKRTIGZSA-N	312.417	3.216	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN2CCCC[C@@H]12	217684776	MYDSITRPJURHJA-KGLIPLIRSA-N	315.244	3.415	10	20	DGCD	
O=C(O)CCC[C@@H]1CCC[C@@H](NCc2c(O)cccc2F)C1	1608709307	LXUCPZCBVMVFPE-QWHCGFSZSA-N	309.381	3.435	10	20	DGCD	
C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1	1589983309	VWNBDVVZKFFEBH-GFCCVEGCSA-N	308.389	3.106	10	20	DGCD	
CC[C@H](C)[C@H](C)C(=O)N(C)CCNCc1ccc(OC)c(C)c1	1753245610	DYAYRUZNFFKIFP-HOCLYGCPSA-N	320.477	3.234	10	20	DGCD	
CCOCc1cc(CN[C@H](CCC(C)C)C(=O)O)ccc1OC	1776907065	AHBBKGBQZRMVDU-MRXNPFEDSA-N	323.433	3.211	10	20	DGCD	
CC(C)C[C@H](C(=O)O)N1CCCc2ccc(N(C)C)cc2C1	1776315733	IEIXWBZDWOPOKI-QGZVFWFLSA-N	304.434	3.000	10	20	DGCD	
CCN1CCc2cc(CN[C@@](C)(CCC(C)C)C(=O)O)ccc21	1776884715	MTPIDHFRJLOGSP-IBGZPJMESA-N	318.461	3.438	10	20	DGCD	
Cc1ccccc1NC1=NC(=O)/C(=C\c2cn(C)nc2C)S1	158730754	CXMJXTLNSAROEL-RIYZIHGNSA-N	312.398	3.119	10	20	DGCD	
C[C@@H](NCCc1cn2c(n1)CCCC2)c1ccc(N(C)C)cc1	152756713	DIGVFHRHOHOXMK-OAHLLOKOSA-N	312.461	3.179	10	20	DGCD	
COC[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccc(C)o1	184716932	XFOCUKXWKGITRB-HNNXBMFYSA-N	321.348	3.113	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2c[nH]c3cccc(F)c23)ccc1O	185276933	DBEHDMFTZMGBEZ-UHFFFAOYSA-N	320.345	3.122	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@@H](C)c2cc(C)ccc2O)cc1	319563361	GEHVKTWSVFHAKU-ZDUSSCGKSA-N	314.385	3.459	10	20	DGCD	
C[C@@H](CNC(=O)N(C)Cc1ccccc1O)Cc1cccs1	74627367	JMWONLRXKOSVPR-CYBMUJFWSA-N	318.442	3.474	10	20	DGCD	
CCC[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	182904106	NAHBLUDYVDRUDE-SJLPKXTDSA-N	318.461	3.306	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(C(F)F)c1	134882386	NLQAUFLEWBPNTP-UHFFFAOYSA-N	322.311	3.400	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(OC)c(C#N)c2)c1	182381122	LHEUBFQUSIZOSX-LBPRGKRZSA-N	312.369	3.132	10	20	DGCD	
Cc1cc(F)ccc1CCNC(=O)N(C)Cc1ccccc1O	88617917	QNJNWZUUYLCHLC-UHFFFAOYSA-N	316.376	3.224	10	20	DGCD	
CO[C@H]1C[C@H](NCc2cc(Br)ccc2O)C1(C)C	227832008	SUQBGVBVDSLBRQ-STQMWFEESA-N	314.223	3.058	10	20	DGCD	
CN(CCOCC1CC1)Cc1cccc(Br)c1O	93818592	HPIUTGWZSLNLSV-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
CC[C@@H](C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	269712400	OBMUNFZONUABQC-OAHLLOKOSA-N	306.450	3.305	10	20	DGCD	
CC[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccccc1O	274934487	RPLAWHRNYFZNHK-GJZGRUSLSA-N	307.340	3.445	10	20	DGCD	
CCOc1cccc(CNC[C@@H](O)c2cc(C)cc(C)c2)c1O	282928260	HWKCURICFNKDCN-QGZVFWFLSA-N	315.413	3.231	10	20	DGCD	
CCN(CC)c1ccc(CNC(C)(C)c2nc(C)no2)cc1	284187213	YBMDWNWEHNBCAM-UHFFFAOYSA-N	302.422	3.249	10	20	DGCD	
CCCNC(=O)OC[C@H]1CCCCN1Cc1cc(C)ccc1O	809726202	LERQYQPDGMBJJF-MRXNPFEDSA-N	320.433	3.191	10	20	DGCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)C1(c2ccccc2)CC1	808516562	MOUHAUGODAQHDE-LLVKDONJSA-N	316.378	3.300	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCOC[C@H]2CCOC2)c(O)c1	815582256	BDLRYPPQFJWQND-JKSUJKDBSA-N	307.434	3.103	10	20	DGCD	
COCCO[C@H]1CCCN(Cc2ccc3ccccc3c2O)C1	816600413	WEOWPGKJAXRDNU-KRWDZBQOSA-N	315.413	3.173	10	20	DGCD	
C[C@H]1CCCN(C[C@@H](C)NCc2cc(Cl)c(F)cc2O)C1	816538217	JJCPUWWQDWKWGT-NWDGAFQWSA-N	314.832	3.395	10	20	DGCD	
CC[C@@H](C)[C@@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)OC	824597319	QXLUIFOZTGKXJY-NOZJJQNGSA-N	316.785	3.105	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cccc(Br)c2O)c2nccn21	825017679	XDBWVJZTRWCUSP-SKDRFNHKSA-N	322.206	3.147	10	20	DGCD	
C/C(=C/C(=O)N1CC[C@@H](C)c2cccc(O)c21)c1cnccn1	829521097	MASYAOZQVVPCAS-YGYTWAPGSA-N	309.369	3.126	10	20	DGCD	
Cc1ccc(N)cc1C(=O)NCc1ccc(N2CCCC2)cc1	827005180	RQIWYOZRMABDKY-UHFFFAOYSA-N	309.413	3.107	10	20	DGCD	
C[C@@H](NC(=O)c1cnc([C@H]2CCCO2)s1)c1ccccc1O	827940493	DPWDCGBXTFIBBP-ZWNOBZJWSA-N	318.398	3.191	10	20	DGCD	
NCc1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1	827593502	BIJSCXCVVGRPKN-UHFFFAOYSA-N	309.413	3.388	10	20	DGCD	
CCN(CC)c1ccc(CNCc2nc(C(C)(C)C)n[nH]2)cc1	839169777	IWGMTNITRPKRJO-UHFFFAOYSA-N	315.465	3.238	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CC[C@H]3SCCS[C@@H]13)CC2	834697183	HBUUCTSCBAYXJN-NCZKRNLISA-N	307.484	3.349	10	20	DGCD	
CC(C)CCC[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	904036859	RPUITLQUTNPYEC-ZDUSSCGKSA-N	301.333	3.040	10	20	DGCD	
CN(Cc1c(O)c(C(=O)O)cc2ccccc12)Cc1cccn1C	830806252	JQRIAPLOECCGDX-UHFFFAOYSA-N	324.380	3.214	10	20	DGCD	
CCOc1ccc(N(C)Cc2nccn2CC(F)(F)F)cc1	739927384	XAEREVPJXZMIKR-UHFFFAOYSA-N	313.323	3.481	10	20	DGCD	
CC[C@H](NC(COC)COC)c1ccc(Cl)c(Cl)c1O	834891100	MXROXMVNTYDMOU-LBPRGKRZSA-N	322.232	3.401	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC=CCC1	839914133	QUTISUHVBWZUNB-HZPDHXFCSA-N	300.446	3.465	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O	836559676	RRGRQSJRKGZOJB-CHWSQXEVSA-N	306.406	3.026	10	20	DGCD	
CNC(=O)c1cnc(/C=C/c2ccc(N(C)C)cc2C)s1	840718480	YUGKRAWBCZEEOI-SOFGYWHQSA-N	301.415	3.048	10	20	DGCD	
CN1C(=O)/C(=C\c2cccc(OC3CC3)c2F)SC1=S	849174408	QVZXXQVNTOPORV-YRNVUSSQSA-N	309.387	3.198	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN[C@@H](CO)CCF)cc1	846096527	IMUFCFLDAIGTLL-OAHLLOKOSA-N	322.449	3.195	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NC[C@H]2CC(=O)N(C3CC3)C2)c1O	846207094	YIZXMKBKLVWJGQ-NWDGAFQWSA-N	322.836	3.016	10	20	DGCD	
CCc1cccc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1O	848885305	SOJNEBKXEKSFQO-CYBMUJFWSA-N	322.449	3.300	10	20	DGCD	
C[C@@H](N[C@H](CO)CCF)c1ccc(N2CCCCCC2)cc1	846207984	DIJNNGDRLVECFA-WBVHZDCISA-N	308.441	3.438	10	20	DGCD	
C[C@H](CNC(=O)N(C)Cc1ccccc1O)CC(F)(F)F	840433333	PZZJNLCAOLVTHT-JTQLQIEISA-N	304.312	3.122	10	20	DGCD	
COC(=O)[C@@H](C)c1cccc(NCc2c(O)cccc2OC)c1	840958965	WXJVSXZTDPCWOE-LBPRGKRZSA-N	315.369	3.289	10	20	DGCD	
CN(CCCOc1ccccc1)c1ccc(OCC(=O)O)cc1	846280179	UESZSCTWVHOWPX-UHFFFAOYSA-N	315.369	3.055	10	20	DGCD	
CC(C)C[C@@H](CNCc1c(O)ccc(Cl)c1F)C(=O)O	841816239	LKVBVOKYXCFKIS-VIFPVBQESA-N	303.761	3.021	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](C2CCOCC2)C1	840915929	DBFXTAHDMHSJNN-GOSISDBHSA-N	302.462	3.310	10	20	DGCD	
COc1cc(O)c(CNC[C@@H](C)CC(F)(F)F)cc1OC	840964631	TVVDDHLCODSHEK-VIFPVBQESA-N	307.312	3.088	10	20	DGCD	
COc1ccc(CN[C@H]2CCN(C(=O)CC(C)(C)C)C2)cc1C	1018513731	OSPMSFKYZYTSBW-INIZCTEOSA-N	318.461	3.130	10	20	DGCD	
CC1CCC(O)(CNCc2c(O)ccc(Cl)c2F)CC1	853092284	JDJIPYDELNTPSN-UHFFFAOYSA-N	301.789	3.216	10	20	DGCD	
C[C@@H](NC[C@@H](O)CCc1ccccc1)c1cc(F)cc(F)c1O	757666392	SOWPLMMIBLGXDD-DOMZBBRYSA-N	321.367	3.315	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2COc3ccccc3C2)c1	756459795	XIRPCCALCQDVNA-UONOGXRCSA-N	313.397	3.303	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC(OCC3CC3)CC2)cc1F	862249324	LHYPTFZERIOHGK-UHFFFAOYSA-N	324.415	3.422	10	20	DGCD	
COc1cc(O)c(CN2CC[C@H]2c2cccc(F)c2)cc1OC	768465282	FIMCXVQQXVSVHD-HNNXBMFYSA-N	317.360	3.496	10	20	DGCD	
COC[C@@H]1CCCCN(Cc2cc(F)c(N(C)C)cc2F)C1	862333943	PZQUTIURTXVINH-CYBMUJFWSA-N	312.404	3.279	10	20	DGCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1ccccc1	768465606	IVPKJZBORJKJBV-JLBUNGTFSA-N	311.381	3.011	10	20	DGCD	
COC(=O)c1coc([C@@H](C)NCc2ccc(N(C)C)cc2C)c1	774193203	UMPIZCQXPZSXQH-CYBMUJFWSA-N	316.401	3.291	10	20	DGCD	
CC[C@H](NCCc1nc(C(C)C)no1)c1ccc(C)cc1O	1116890072	MXHPNCWAYABFCZ-AWEZNQCLSA-N	303.406	3.490	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ncccc1N(C)C	1117633510	RZXKSKVKHVRSDY-ZIAGYGMSSA-N	311.429	3.500	10	20	DGCD	
Cc1ncc(CCNCc2cc(F)c(N(C)C)cc2F)s1	1118801076	LWSJAGRDEBEPLP-UHFFFAOYSA-N	311.401	3.128	10	20	DGCD	
CC(C)[C@H](CN[C@@H](C)c1c(O)cccc1F)c1ccnn1C	886599316	WDUVWGNIUVACRC-STQMWFEESA-N	305.397	3.355	10	20	DGCD	
CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N)cc2)C1	1120676852	DXQMYLICLMUBKX-HUUCEWRRSA-N	307.463	3.084	10	20	DGCD	
CCCCCC(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1	784068251	VOVMEDOPEVLQRP-UHFFFAOYSA-N	308.374	3.430	10	20	DGCD	
Nc1ccc(CN2CCC[C@H]2c2cccc3c2OCCO3)cc1	1120263948	XQQQGRFOGXLBSU-KRWDZBQOSA-N	310.397	3.377	10	20	DGCD	
C/C=C/C[C@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1O	788756237	VPDNRTVSSDMBPT-YIZUVKHSSA-N	303.324	3.389	10	20	DGCD	
CCN(Cc1cc(C)cc(OC)c1O)[C@@H]1CCOC(C)(C)C1	894789831	KOFNQZNZAFXYOW-OAHLLOKOSA-N	307.434	3.489	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccc(CF)cc2)cc1	784554472	BOGIMLXXQRPNEI-UHFFFAOYSA-N	317.360	3.344	10	20	DGCD	
CC(C)(C)CN(CCCO)Cc1c(O)ccc(Cl)c1F	792167240	FTDNVDDBMICECP-UHFFFAOYSA-N	303.805	3.415	10	20	DGCD	
CCC[C@@](C)(CO)NCc1ccc(N(C)C)cc1C(F)(F)F	792985542	ZPSBRNDPKAYNNC-HNNXBMFYSA-N	318.383	3.412	10	20	DGCD	
CC(C)CNC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1O	1320130430	KSNSVLRCAMMBBF-SECBINFHSA-N	319.232	3.122	10	20	DGCD	
CN(CCNC(=S)Nc1cccc(F)c1F)c1ccccc1	1341037451	BERLZJPSJKAEHT-UHFFFAOYSA-N	321.396	3.388	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1	1346340731	TWZARMBUGOOJPL-SFHVURJKSA-N	309.413	3.089	10	20	DGCD	
Cc1cc(C)cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	152980295	VTLDHYFAQIYIGG-ZDUSSCGKSA-N	314.385	3.467	10	20	DGCD	
Oc1cc2c(cc1CNc1ccccc1Br)OCO2	42879240	LCYUQUXGDSUULS-UHFFFAOYSA-N	322.158	3.496	10	20	DGCD	
CCOC[C@H]1CCN(Cc2c(O)cccc2Br)C1	707144532	ODCMYCDJZVRIKV-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
Cc1csc([C@H](NC(=O)c2ccc(C)c(O)c2O)C2CC2)n1	179517659	ZTAUVERYRLVRPA-GFCCVEGCSA-N	318.398	3.052	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CSc1ccc(F)c(F)c1	119969901	QDUCSRYNRGVXNZ-UHFFFAOYSA-N	323.364	3.421	10	20	DGCD	
CCCN(Cc1ccccc1O)c1ncc(C)cc1[N+](=O)[O-]	301792043	WXJWNPDMZJQPEY-UHFFFAOYSA-N	301.346	3.420	10	20	DGCD	
CCC(CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1	177508643	YKKUVGLPIPUROX-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
COc1ccc([C@H](C)N(C)Cc2cc3c(cc2O)OCO3)cc1	125832900	WBBBJEBOUPLDCA-LBPRGKRZSA-N	315.369	3.323	10	20	DGCD	
C[C@H](N[C@@H]1CCc2[nH]ncc2C1)c1ccc2ccccc2c1O	186115229	YDKUPSAGMHRQQP-SWLSCSKDSA-N	307.397	3.477	10	20	DGCD	
CC(C)n1cccc1C(=O)NCc1ccc(N(C)C)c(F)c1	121069533	DWGOKCNRSDSYRH-UHFFFAOYSA-N	303.381	3.204	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1O	74624215	IPOSAULUYTZEIZ-GJZGRUSLSA-N	318.417	3.169	10	20	DGCD	
Cc1cn2c(CNCc3ccc(N(C)C)cc3)c(C)nc2s1	78778219	LKNRLNGKOAROEM-UHFFFAOYSA-N	314.458	3.368	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1c(Cl)cnn1C	189519473	HRTGPKCVFBHKCU-UHFFFAOYSA-N	306.841	3.162	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2cccc(F)c2)c1	182366078	MCDGARNMIWQNLE-LBPRGKRZSA-N	305.349	3.270	10	20	DGCD	
COc1ccccc1C(=O)NCCCSc1nccs1	78713593	MHGRRQBRNHHHPY-UHFFFAOYSA-N	308.428	3.064	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCc2ccccc21)c1cc(F)ccc1O	186166118	FLUYDYBYOUISHH-KZULUSFZSA-N	301.361	3.016	10	20	DGCD	
CCCCCN(CC(N)=O)Cc1ccc(N2CCCCC2)cc1	180809570	CLNLGEZEPSQEIW-UHFFFAOYSA-N	317.477	3.154	10	20	DGCD	
COCCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCCC1	131213963	UBFCCIBKRTWQRS-ZDUSSCGKSA-N	321.417	3.175	10	20	DGCD	
COc1cc(Cl)cc(CNCCN2CCCCCC2)c1O	228670549	MNULXCFWLKZSPQ-UHFFFAOYSA-N	312.841	3.020	10	20	DGCD	
Cc1ccc(N2C(=O)/C(=C/c3ccnn3C)SC2=S)cc1	192981117	QZKPUKWNEHDVTO-LCYFTJDESA-N	315.423	3.134	10	20	DGCD	
COCCCOC1CCN(Cc2cc(Cl)ccc2O)CC1	93561401	HIRYHHZGWHMZEH-UHFFFAOYSA-N	313.825	3.063	10	20	DGCD	
CCOc1ccc(O)c(CNCc2csc([C@@H](C)OC)n2)c1	267672949	ZQKKMDOBGAXQAA-LLVKDONJSA-N	322.430	3.245	10	20	DGCD	
CC[C@H](NC[C@@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1	269078458	YWKVLLFEAZSKHO-DLBZAZTESA-N	302.418	3.428	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](C)c2cc(Br)ccc2O)CCO1	273463318	INCQBXMISURDSZ-FOGDFJRCSA-N	314.223	3.373	10	20	DGCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	378917863	NDHKKPTXIKBKIK-CAIZAGQASA-N	314.473	3.438	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H](C)CCCCO)c1O	295121311	WOTTXBRPWCUIHG-NSHDSACASA-N	316.239	3.104	10	20	DGCD	
COc1cc(Cl)cc(CN(CC2CCC2)[C@H](C)CO)c1O	809665495	VBXLBXRSYJEAHY-LLVKDONJSA-N	313.825	3.037	10	20	DGCD	
CC/C=C/CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	298070483	KJEBCITULCSJMI-WUTVXBCWSA-N	318.417	3.049	10	20	DGCD	
CCCCNC(=O)[C@@H](C)N(CCCC)Cc1ccccc1O	801598515	BGHBDEWWZKBWGI-OAHLLOKOSA-N	306.450	3.299	10	20	DGCD	
CCOCc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC	299462356	YFKBMVCKCAOIAY-MDWZMJQESA-N	323.439	3.063	10	20	DGCD	
CCN(Cc1cc(OC)c(OC)cc1O)[C@@H]1CCOC(C)(C)C1	291624622	RWOGZJZBIJASHA-CQSZACIVSA-N	323.433	3.189	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CCc3c[nH]nc3C2)c1O	808701790	IRFJNAOPXYMFIN-GXFFZTMASA-N	305.809	3.285	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C)C(=O)NC(C)(C)C)c1O	808684430	NVOXLMUEQPEZSH-WDEREUQCSA-N	312.841	3.308	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3ncc(C)s3)C2)cc1	818222870	XMHABWBYKCUIOU-AWEZNQCLSA-N	317.458	3.076	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H]2c2nc(C)no2)cc1	815117737	UIXUJYVWIMNSDV-MRXNPFEDSA-N	300.406	3.171	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@H](C)CCCN)c1O	817977871	QWDZLAWUDXIJAQ-MNOVXSKESA-N	315.255	3.241	10	20	DGCD	
CO[C@H](CN[C@H](C)c1cc(Br)ccc1O)C1CC1	815651480	UUPQBWOZSCTOCF-YMTOWFKASA-N	314.223	3.230	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](C)COc2ccccc2)c1	725849291	JXNDPJRMSOEEPD-AWEZNQCLSA-N	301.386	3.348	10	20	DGCD	
C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1(Cl)CC1	903449004	VEJFYRUTGYKNGB-XJKSGUPXSA-N	309.885	3.105	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cocn1	730803104	MGPYMQDHDDPUEQ-UHFFFAOYSA-N	301.371	3.074	10	20	DGCD	
Cc1ccc(C)c(NNC(=S)Nc2ccc3c(c2)OCO3)c1	735235643	WWADELBMELMCNS-UHFFFAOYSA-N	315.398	3.346	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@@H](C(=O)O)c2ccccc2)c1	833662970	PGPABXUATVHFAZ-QGZVFWFLSA-N	315.369	3.049	10	20	DGCD	
COc1cccc(C[C@H]2CCCN2C(=O)c2cc(O)cs2)c1	732274677	LZKHUPQPSQMUME-CYBMUJFWSA-N	317.410	3.310	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2nc(C)no2)cc1F	740004183	HSILOQCQBHNSPF-LLVKDONJSA-N	306.385	3.214	10	20	DGCD	
COc1ccc(N(CC(=O)NCc2ccco2)CC(C)C)cc1	746171178	TUAQCPYPQOBVKJ-UHFFFAOYSA-N	316.401	3.067	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](CO)Cc2ccccc21	590049639	XLWWQYUPNNQILR-SBJJXXPASA-N	324.380	3.279	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc3c(c2)CCNC3=O)cc1	849346841	DBHWKMMQGZFWIU-UHFFFAOYSA-N	323.440	3.431	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(C)[C@H]1CCCc2c1cnn2C	840918412	GKMSMHFHGBPZOP-SFHVURJKSA-N	312.461	3.304	10	20	DGCD	
C[C@@H](NC(=O)NC1CC2(CCC2)C1)c1ccc(N(C)C)cc1	845125916	REVACXGAQHXZJW-CYBMUJFWSA-N	301.434	3.446	10	20	DGCD	
C[C@H](COCC1CC1)NCc1cc(Br)ccc1O	846072823	IHKCZSFBTUYJHA-SNVBAGLBSA-N	314.223	3.059	10	20	DGCD	
C[C@@H](NC[C@@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O	756605674	ULBZUUQNYVEZAD-TZMCWYRMSA-N	321.367	3.487	10	20	DGCD	
Cc1cc(CN(CC(=O)O)C2CCC2)ccc1N1CCCCC1	851706730	GPYPWLQTKQSWLE-UHFFFAOYSA-N	316.445	3.424	10	20	DGCD	
Oc1ccc(Cl)cc1CNCc1cccnc1N1CCCC1	850352927	MNOOULGYQZNMHH-UHFFFAOYSA-N	317.820	3.331	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](c2ccccn2)C2CC2)c1	925570894	YSLTVBJBLSALHG-QGZVFWFLSA-N	311.385	3.046	10	20	DGCD	
CCOc1ccc(CNC[C@@H](O)[C@@H](C)c2ccccc2)c(O)c1	850411587	GCBXEDXFDFINGF-IFXJQAMLSA-N	315.413	3.045	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)cn1	756380247	FQGRODMLDPITKY-GXFFZTMASA-N	302.349	3.273	10	20	DGCD	
COc1cc(O)c(CN2CC(Cc3ccsc3)C2)cc1OC	857068564	ZUBIFNZWRITDKX-UHFFFAOYSA-N	319.426	3.145	10	20	DGCD	
CC[C@](C)(O)CN[C@@H](C)c1cc(Br)c(F)cc1O	756555080	RRFQNFOIGMUYPM-SDBXPKJASA-N	320.202	3.105	10	20	DGCD	
Cc1cncc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	750848671	ZIEFYIBWJYVJIF-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2cnccc2C)c1	756675959	JHBFXPRCHGSITI-STQMWFEESA-N	314.385	3.294	10	20	DGCD	
COc1cccc(O)c1CN(C)Cc1ccn(-c2ccccc2)n1	768918523	KNOUUAHOSKTIDT-UHFFFAOYSA-N	323.396	3.219	10	20	DGCD	
CCOc1ccc(CN2CCCC[C@H]2c2ncc[nH]2)c(O)c1	769211671	YZVDEPBJZPFCQD-HNNXBMFYSA-N	301.390	3.241	10	20	DGCD	
CCc1ncc(CN2CCOc3cc(N(C)C)ccc32)s1	765657466	JUSZZJOCRZDAOH-UHFFFAOYSA-N	303.431	3.171	10	20	DGCD	
CN(Cc1ccccc1O)CC(C)(C)NC(=O)OC(C)(C)C	761192360	LJKFKATWHSKXKX-UHFFFAOYSA-N	308.422	3.127	10	20	DGCD	
C[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1ccc(N(C)C)cc1	776268713	FNUNESBEBHLWES-VGWMRTNUSA-N	317.477	3.191	10	20	DGCD	
CCOc1ccccc1NC(=O)CN[C@H](C)c1ccccc1O	879650015	XUPQGELEUCXTKD-CYBMUJFWSA-N	314.385	3.080	10	20	DGCD	
CC[C@H](NCCSCCCO)c1cc(Cl)ccc1O	775501288	FUUZIJACTSMLAP-ZDUSSCGKSA-N	303.855	3.202	10	20	DGCD	
CCCN(CC)Cc1cc(Br)cc(OC)c1O	771935829	ZVWHBUFLBLLMBP-UHFFFAOYSA-N	302.212	3.395	10	20	DGCD	
CC/C(C)=C(\C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	779853448	FQRGTPPQDVNQOH-FOCLMDBBSA-N	316.445	3.480	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCc1cccc2c1OCCO2	775764489	YRDVZWKINDIYFL-UHFFFAOYSA-N	323.751	3.246	10	20	DGCD	
Cc1cc(=NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c[nH]1	775698191	UDZFFUGWCWSRHK-CQSZACIVSA-N	312.417	3.069	10	20	DGCD	
C/C=C\C[C@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1O	788756233	VPDNRTVSSDMBPT-CBZSPVTBSA-N	303.324	3.389	10	20	DGCD	
CCN(CCC(=O)NC)Cc1cc(-c2ccccc2)ccc1O	897710523	VMUXFMCGRLSRCG-UHFFFAOYSA-N	312.413	3.017	10	20	DGCD	
C[C@@H]1CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1	780784145	JRXHNJYXHWQNKT-TZMCWYRMSA-N	302.418	3.259	10	20	DGCD	
CO[C@H](C1CC1)[C@@H](C)NCc1c(O)cccc1Br	706881082	LXTYEQUPPVIWNJ-OTYXRUKQSA-N	314.223	3.058	10	20	DGCD	
CC[C@H](C)n1ncc(NCc2cc([N+](=O)[O-])ccc2O)c1C	791005357	VCNXAFQZFDQQCQ-JTQLQIEISA-N	304.350	3.388	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2n[nH]cc2Br)c1	718126929	RLDNYHCJRJBJME-VIFPVBQESA-N	310.195	3.037	10	20	DGCD	
CN[C@@H](C)CCNCc1ccc(OCc2ccccc2)cc1O	1325624827	GDFMCLLOUUXXTM-HNNXBMFYSA-N	314.429	3.059	10	20	DGCD	
COc1cccc([C@@H](C)NCCCc2nc(C)cs2)c1O	1328728549	UBPJSIIJRZQXAK-GFCCVEGCSA-N	306.431	3.449	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)[C@H](O)c1ccccc1	1347225941	ZUHCRERFFYLLHG-JXFKEZNVSA-N	310.441	3.499	10	20	DGCD	
C[C@@]1(C(=O)NCc2cccc(O)c2O)CCCc2ccccc21	1349077954	FVWOBZLRBVNTCX-LJQANCHMSA-N	311.381	3.008	10	20	DGCD	
Cc1ccc2c(c1C(=O)O)N(C(=O)/C=C\c1cccnc1)CCC2	1607829133	LNKJJDAIACUBBX-CLFYSBASSA-N	322.364	3.081	10	20	DGCD	
COc1ccc(C(=O)[C@H](C)Sc2ncc(C(=O)O)s2)cc1	1607201777	PHUJCCISZGMLAV-QMMMGPOBSA-N	323.395	3.213	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc(C(=O)OC(C)C)cc1	1610579072	ZLRIWEZECPGMJR-UHFFFAOYSA-N	318.325	3.430	10	20	DGCD	
Cc1cc(O)c(CNC[C@H]2Cc3ccccc3CN2)c(Cl)c1	1579638011	NKPUWATYCDSLGA-OAHLLOKOSA-N	316.832	3.158	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C)c(C(=O)O)c2)c(OC)c1	1599584466	SUWPRRKABKBLMS-UHFFFAOYSA-N	315.369	3.347	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccc(/C=C/C(=O)O)cc2)SC1=S	1776874440	HYMBZLLBDSJWIU-GHYOLMRSSA-N	319.407	3.006	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@]2(C)CCCS2)c1	153409344	MOHKOBCJPWIGSJ-ZBEGNZNMSA-N	324.446	3.047	10	20	DGCD	
COC(C)(C)CN(C)Cc1ccc(Br)cc1O	701191028	CRPRDSSHQUHSGP-UHFFFAOYSA-N	302.212	3.012	10	20	DGCD	
C[C@@H]1CC[C@H](C(=O)O)CN1Cc1cc(Cl)cc(Cl)c1O	397128400	XIFKUOJOSMANDN-BDAKNGLRSA-N	318.200	3.384	10	20	DGCD	
COc1ccc(OCCN(C)Cc2cc(C)ccc2O)cc1	119361204	UNGZORQOYXHIQR-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
Cc1cc(O)c(CNCC(=O)N2CCCc3ccccc32)cc1C	174313412	HJEBIQYNWXRZAY-UHFFFAOYSA-N	324.424	3.078	10	20	DGCD	
CCN(CC)CCN(CCC(F)(F)F)Cc1ccccc1O	179582908	SVRBVNWMCJUWPM-UHFFFAOYSA-N	318.383	3.488	10	20	DGCD	
CCN(C[C@@H]1CCN(Cc2ccccc2O)C1)CC(F)(F)F	179582394	YXKPLTPXCBBZHD-ZDUSSCGKSA-N	316.367	3.098	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCC[S@@](=O)C(C)(C)C)cc1	178409783	ROCGMNXBLFMWRL-SPLOXXLWSA-N	310.507	3.341	10	20	DGCD	
CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1O	24098821	FUGNHORNSUQBTO-QGZVFWFLSA-N	312.369	3.320	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccsc1	115280354	NFFXNQFSSRIZBK-UHFFFAOYSA-N	302.443	3.372	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C	128345830	YGHCBCRHEIGYCY-HOTGVXAUSA-N	313.445	3.250	10	20	DGCD	
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)sc1Cl	188449744	AMKPOZJQHLYPTO-UHFFFAOYSA-N	303.792	3.216	10	20	DGCD	
CC(C)OCCN[C@H](C)c1ccc(Br)cc1O	186642399	FDIHNYPHNXCBSO-SNVBAGLBSA-N	302.212	3.230	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCC1(C)C	78363222	AOOHWSVDNIYPOU-INIZCTEOSA-N	303.450	3.473	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(OC(F)(F)F)cc1	319132558	DYTPBPTXELFYGS-UHFFFAOYSA-N	311.259	3.221	10	20	DGCD	
CC[C@H](CSC)NC(=O)c1cc(C)n(-c2ccccn2)c1C	181218231	GJLAEWVEDGHLEH-CQSZACIVSA-N	317.458	3.361	10	20	DGCD	
OCC[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccco1	184501856	UKQGWAKELFSWQI-SFHVURJKSA-N	314.429	3.483	10	20	DGCD	
COc1cc(Cl)cc(CN2CCNCc3ccccc32)c1O	317344026	BMXLAFLNMBIJLA-UHFFFAOYSA-N	318.804	3.164	10	20	DGCD	
CC(C)NC(=O)CCN[C@@H](C)c1ccc2ccccc2c1O	181270243	JVRAPNDEZGDPPJ-ZDUSSCGKSA-N	300.402	3.111	10	20	DGCD	
Cc1cc(C(=O)NC[C@@H](C)C[C@@H](C)O)c(C)n1-c1ccccc1	77052685	QZAFUAREDIVTFO-DZGCQCFKSA-N	314.429	3.231	10	20	DGCD	
Cn1cc([C@@H](NCc2ccccc2O)c2ccc(F)cc2)cn1	187516961	ZEQASQFNYHZOPU-SFHVURJKSA-N	311.360	3.144	10	20	DGCD	
COc1cccc(CN2C[C@@H](C)OC[C@H]2c2ccccc2)c1O	93660726	OTYIEMASGWWVBW-PBHICJAKSA-N	313.397	3.363	10	20	DGCD	
Cc1cc(C(=O)NCCCCN)c(C)n1-c1cccc(Cl)c1	237588020	SJUZDSVUIGSLSH-UHFFFAOYSA-N	319.836	3.216	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](O)Cc2ccccc21	435041335	PJXWIJBMOXABRC-CDVVCGDMSA-N	310.353	3.032	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)cc2O)[C@]12CCCO2	274146227	DSXYHJBVZXATLG-VIBAHUMZSA-N	305.418	3.078	10	20	DGCD	
CCNC(=O)C1(CN[C@H](C)c2cc(Cl)ccc2O)CCC1	277374974	XGSKFJIGPCTQIE-LLVKDONJSA-N	310.825	3.003	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1O	289872845	RJUZNPMMTMCEBF-CZUORRHYSA-N	324.852	3.137	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H]1CCOC1	283549346	DTSJVWSMZZDFMZ-GOEBONIOSA-N	320.433	3.129	10	20	DGCD	
COc1cccc(CNCc2c[nH]nc2-c2ccsc2)c1O	809739935	GZFUEEGTXFITPA-UHFFFAOYSA-N	315.398	3.142	10	20	DGCD	
Cc1cc2cc(CNC(=O)c3ccc(C)c(O)c3O)ccc2[nH]1	804889993	UTDYHZQTHOTMQJ-UHFFFAOYSA-N	310.353	3.126	10	20	DGCD	
COC1CCN(c2ccc(CN(C)[C@H]3CCSC3)cc2)CC1	294879398	FBTGUXSQZFYNEK-KRWDZBQOSA-N	320.502	3.239	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C)c1nc(COC)no1	801599210	FNGQENGBFNUYIH-CYBMUJFWSA-N	319.405	3.285	10	20	DGCD	
CC[C@@H](Nc1ccc(COCCO)cc1)c1ccccc1O	818362541	WOYXSAIZMPXFQZ-QGZVFWFLSA-N	301.386	3.464	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCN2C[C@@H](C)O[C@H](C)C2)c(O)c1	815556477	WBJMNYLUBUNRJI-ZACQAIPSSA-N	320.477	3.159	10	20	DGCD	
Cc1cc(O)c(CNCC2CCN(C3CC3)CC2)cc1Cl	825716229	QVIGSYKOKKGONU-UHFFFAOYSA-N	308.853	3.318	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@@H](C)c2cc(F)ccc2O)cc1C	834912275	CAFPKHXCJZJQMZ-WMLDXEAASA-N	317.404	3.402	10	20	DGCD	
Cc1noc([C@H]2CCCN(Cc3ccc(N(C)C)cc3C)C2)n1	840910841	MXBQPZAWBUPSEZ-INIZCTEOSA-N	314.433	3.132	10	20	DGCD	
CCS[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1	841850599	XQJNCCVDXDHZIB-HZPDHXFCSA-N	321.490	3.175	10	20	DGCD	
C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C(C)(C)C	840759822	OBLQMWGJRPFDGZ-GFCCVEGCSA-N	312.404	3.326	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCOCC(F)(F)C(F)F	840940552	FTBYNNLAUKEPSL-UHFFFAOYSA-N	322.346	3.068	10	20	DGCD	
CCOc1cc(Cl)ccc1CNC(=O)c1cc(O)cs1	752637471	GZOSGAIWLNQBDY-UHFFFAOYSA-N	311.790	3.436	10	20	DGCD	
CC[C@@H]1CCCCN1CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756575330	PDTRORZJYHPYGG-UONOGXRCSA-N	321.421	3.216	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)Cc2cc(C)cc(OC)c2O)C1(C)C	754740981	KDUIFSRJUWFRKM-CVEARBPZSA-N	307.434	3.345	10	20	DGCD	
OC[C@@H](NCc1ccccc1O)c1ccc(C(F)(F)F)cc1	758630753	JBBMLEAWIWRWMQ-CQSZACIVSA-N	311.303	3.234	10	20	DGCD	
CCn1nc(C)c(CN[C@H](C)c2cc(OC)ccc2O)c1C	756533725	HJRDHDHPBSAKGA-LLVKDONJSA-N	303.406	3.085	10	20	DGCD	
COc1cccc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)c1	858149615	PYIWNQXURHCHFF-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2C)c1	858581605	HCLWZIJSVAOFEL-DLBZAZTESA-N	310.397	3.364	10	20	DGCD	
COc1ccc(O)c(CNc2cccc(N=S(C)(C)=O)c2)c1	864015160	HEWIYRQUQBZFJH-UHFFFAOYSA-N	320.414	3.372	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@H]1CCOC2(CCC2)C1)c1ccccc1O	868668712	PLPXNCNXFSVYHK-ZIAGYGMSSA-N	318.417	3.102	10	20	DGCD	
CCC[C@]1(C)CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768466507	QWYRYNFBRUWEIA-FUHWJXTLSA-N	305.418	3.220	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1	776269077	IPRIKIXJBJGRLU-CQSZACIVSA-N	311.429	3.310	10	20	DGCD	
CCCOc1ccc(CNC[C@H]2CC[C@H](C(N)=O)CC2)cc1C	873132151	JKGIFNPRYKOPQJ-JCNLHEQBSA-N	318.461	3.165	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H](C)C(C)C	775663387	AELYGXVGXQWWSI-QGZVFWFLSA-N	303.494	3.305	10	20	DGCD	
C[C@H](NC(=O)N(C)C[C@@H]1CCCCO1)c1ccc(N(C)C)cc1	773622697	RWOCTDWUXQOEOH-YOEHRIQHSA-N	319.449	3.024	10	20	DGCD	
C[C@@H](NC(=O)CC[C@H]1CCCCO1)c1ccc(N(C)C)cc1	773028236	ZJEBGSAXKVDEAT-RHSMWYFYSA-N	304.434	3.279	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC(C)(C)c2cccs2)c1O	775016083	NXFBBWSCXBDYNL-UHFFFAOYSA-N	322.386	3.395	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@H](C)c2cc(F)cc(F)c2O)cc1	786584837	UXAGJHWVQLOEAK-IUODEOHRSA-N	321.367	3.233	10	20	DGCD	
C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1c(O)cccc1F	886557313	YFJQYEMREVSERG-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
COc1cc(C)cc(CNCCCCN2CCC(C)CC2)c1O	894181387	SGJCMEUUAYWFTP-UHFFFAOYSA-N	320.477	3.311	10	20	DGCD	
CC(C)(C)OC(=O)N1CCCN1Cc1cccc(Cl)c1O	788841097	QLPJVLWPAXJAMO-UHFFFAOYSA-N	312.797	3.403	10	20	DGCD	
CC(C)N1CC[C@@H](CNCc2c(O)ccc(Cl)c2F)C1	790963051	XNGNJOVINQNZEL-NSHDSACASA-N	300.805	3.005	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(OC)cc1O	794387278	HTERYFSMTQJJLC-CXAGYDPISA-N	321.417	3.002	10	20	DGCD	
CC[C@H](NCCCOC[C@H]1CCOC1)c1ccc(C)cc1O	794802978	OYJYUSDNPVXCMJ-WBVHZDCISA-N	307.434	3.185	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(C2CC2)s1	1336497407	PSCGGOJXLPIUKW-UHFFFAOYSA-N	323.414	3.142	10	20	DGCD	
c1coc([C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CCO2)c1	1337042237	IEPIHXQQRWOQGD-IBGZPJMESA-N	312.413	3.453	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@]2(C)CCCC[C@H]2C(=O)O)c1O	1607656260	VENDQLOVKYZSHF-XJKSGUPXSA-N	311.809	3.477	10	20	DGCD	
C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cc(C(=O)O)ccc1O	1604325565	OSJGAPULICLYIQ-PIGZYNQJSA-N	312.369	3.287	10	20	DGCD	
COCC1(CN[C@H](C)c2cc(C(=O)O)ccc2O)CCCCC1	1606840784	KTZWNXJAUZFHLV-CYBMUJFWSA-N	321.417	3.338	10	20	DGCD	
COc1cc(CN2CC[C@@H](OCCC(C)C)C2)c(O)cc1C	160373683	TWGXPFBGQGJLLQ-MRXNPFEDSA-N	307.434	3.346	10	20	DGCD	
C[C@@H](Nc1ncc(C(N)=O)cc1Cl)c1ccc(N(C)C)cc1	302361809	FRFLOZHGWYWKQV-SNVBAGLBSA-N	318.808	3.073	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ccc(C(F)(F)F)nn2)c1	301994081	NWGJUAFVOUAGMU-QMMMGPOBSA-N	313.279	3.383	10	20	DGCD	
Fc1cc(F)cc(NCc2ccc(N3CCOCC3)cc2)c1	120167903	PXTBWIDGZLAOPP-UHFFFAOYSA-N	304.340	3.414	10	20	DGCD	
CCCN(C(=O)c1cccc(O)c1O)[C@H]1C[C@H](OCC)C1(C)C	185719836	FEHXDIHETAJXQA-GJZGRUSLSA-N	321.417	3.154	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1O	74624209	IPOSAULUYTZEIZ-CABCVRRESA-N	318.417	3.169	10	20	DGCD	
Cc1ccc([C@H](C)NCc2cccnc2-n2cccn2)c(O)c1	184988866	VHGJXIJJHDAYKI-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
C[C@@H](NCCCOC[C@@H]1CCCO1)c1cc(Cl)ccc1O	184902954	LASNIHWESYXENH-OCCSQVGLSA-N	313.825	3.282	10	20	DGCD	
CCC(CC)[C@@H](CN[C@H](C)c1cc(OC)ccc1O)N(C)C	192953322	KVEUZDATKZKMMH-CXAGYDPISA-N	308.466	3.418	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1	321655671	KCXJRNSDOBEBBS-NSHDSACASA-N	318.348	3.289	10	20	DGCD	
CCOCc1ccccc1CNCc1cccc(OC)c1O	236990478	ZPFVIPBIMUXYPF-UHFFFAOYSA-N	301.386	3.227	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)CC1CCCC1	92667292	TVDHFBIBHXDTKW-UHFFFAOYSA-N	306.425	3.284	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CCO[C@H](C(C)C)C2)c(O)c1	271455823	FKGWJOCHQOTHMD-QAPCUYQASA-N	307.434	3.474	10	20	DGCD	
CC[C@H](NCCc1cn2c(n1)CCCC2)c1ccc(F)cc1O	367613965	GPNVTJOQPBAHPT-INIZCTEOSA-N	317.408	3.348	10	20	DGCD	
COc1ccc(N2CCC(NCc3c(C)noc3C)CC2)cc1	368899300	IKYLAILFPHULMF-UHFFFAOYSA-N	315.417	3.059	10	20	DGCD	
COc1ccc(CNC(=O)[C@H]2CCCc3sccc32)c(O)c1	373697337	QOYBUDONZCQJIK-AWEZNQCLSA-N	317.410	3.199	10	20	DGCD	
COc1cccc(CNCc2ccccc2-c2cnn(C)c2)c1O	372291843	RQDQZRQFGNQPCZ-UHFFFAOYSA-N	323.396	3.091	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	383586749	BCYHOFXFRMFCGL-HHQZKXIDSA-N	304.346	3.317	10	20	DGCD	
C[C@H](CNC(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1	299153377	GOCGPQDYFPPDSP-CYBMUJFWSA-N	316.376	3.476	10	20	DGCD	
C[C@H]1C[C@H](O)CN1Cc1ccc2c(c1)CCN2Cc1ccccc1	809651834	BFWLDROJCNYQGU-JXFKEZNVSA-N	322.452	3.204	10	20	DGCD	
COCCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800048555	FACGZJPVKSZJQF-CYBMUJFWSA-N	324.852	3.229	10	20	DGCD	
C[C@@H](Nc1ccc(Cl)nn1)c1ccc(N2CCOCC2)cc1	819912848	XPXBFQQUKJRLSC-GFCCVEGCSA-N	318.808	3.140	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)C2)cc1	819584473	KDSCSDVXAHDGFY-CABCVRRESA-N	318.461	3.320	10	20	DGCD	
CCCC[C@@H](CN)N[C@@H](C)c1ccc(Br)cc1O	817963202	SFQIRPQCWJIUTB-JQWIXIFHSA-N	315.255	3.323	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@H](C)CC(C)(C)O)c1	824702805	QNNKNABSQWBTFZ-SNVBAGLBSA-N	316.239	3.102	10	20	DGCD	
CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCC1	588408555	ABNFBOGEILVOAF-NTMALXAHSA-N	303.402	3.444	10	20	DGCD	
c1cc(N2CCCC2)nc(NCc2ccc(N3CCCC3)cc2)n1	733187266	OMVFLKHYZPQPBX-UHFFFAOYSA-N	323.444	3.289	10	20	DGCD	
CN(C)CCN(Cc1ccc(N(C)C)cc1)Cc1ccsc1	839185843	BRYYQTBUBLKSPY-UHFFFAOYSA-N	317.502	3.378	10	20	DGCD	
CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F	834828154	PUZXCIVTKABKLP-FZMZJTMJSA-N	316.367	3.357	10	20	DGCD	
Cc1ccc2c(c1)[C@@H](NC(=O)NCCc1ccc(N)cc1)CC2	841793808	UHKPFGRDDGMSMW-SFHVURJKSA-N	309.413	3.106	10	20	DGCD	
CC[C@@H](COC(=O)c1cc(C)n(-c2ccccn2)c1C)OC	842064238	PSZDZKQVBWYREZ-AWEZNQCLSA-N	302.374	3.071	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H](C(=O)O)C2)cc1	843304027	RDOMWGLVYZTQRF-HZPDHXFCSA-N	304.434	3.266	10	20	DGCD	
CCCCC1CCC(NC(=O)C(=O)Nc2ccc(N)cc2)CC1	841020131	KAQUSDATZQDESL-UHFFFAOYSA-N	317.433	3.073	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](C)C(=O)OC(C)(C)C)c1	848563859	XZNACCVYHBULSJ-NEPJUHHUSA-N	309.406	3.029	10	20	DGCD	
CCOc1cccc(NC(=S)NNc2cccc(OC)c2)c1	742980636	XDQJFVOMXREYNP-UHFFFAOYSA-N	317.414	3.407	10	20	DGCD	
C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H](C)c1ccccc1	841849503	YGKOANMQMJPZSP-GJZGRUSLSA-N	311.429	3.303	10	20	DGCD	
CC(C)C[C@@H](O)CN[C@H](C)c1cc(Br)ccc1O	756498632	VQUQYLGRCUAXSN-ZYHUDNBSSA-N	316.239	3.212	10	20	DGCD	
CC1=C(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C(C)C	929530421	BXWVJFSPGCFHJI-UHFFFAOYSA-N	315.461	3.099	10	20	DGCD	
C[C@H]1C[C@@H](NCc2c(O)cccc2Br)c2nccn21	858172487	WGBROZUXFMPELF-JOYOIKCWSA-N	322.206	3.147	10	20	DGCD	
COC(C)(C)CN[C@H](C)c1cc(Br)ccc1O	756645634	HFMKJKFSDAJKIW-SECBINFHSA-N	302.212	3.230	10	20	DGCD	
COC[C@H](NCc1ccc(N(C)C)cc1)c1cccc(OC)c1	850362208	JQMOLQSXTDKMHZ-IBGZPJMESA-N	314.429	3.239	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](c2ccccn2)C2CC2)c1	925570893	YSLTVBJBLSALHG-KRWDZBQOSA-N	311.385	3.046	10	20	DGCD	
Cc1cc(Cl)ccc1NC(=O)NCCc1ccc(O)c(O)c1	755007652	VXTCPNRVBAXYLW-UHFFFAOYSA-N	320.776	3.424	10	20	DGCD	
COc1ccc2c(c1)OC[C@@H](NCc1c(O)cccc1Cl)C2	767418175	UYLWVLXRAWIWNM-LBPRGKRZSA-N	319.788	3.148	10	20	DGCD	
CCOc1ccc(O)c(CN2CCc3cccc(F)c3C2)c1	769436767	XUKNVNPUSYDHCM-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
Cc1nc([C@H]2CCCCN2Cc2c(O)cccc2Cl)no1	768965457	WBIIYPCBMMZNRN-CYBMUJFWSA-N	307.781	3.464	10	20	DGCD	
COCC1(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1	766121765	HMWZOILQARYGBQ-UHFFFAOYSA-N	316.376	3.142	10	20	DGCD	
COc1cc(CN(C)CCOc2ccc(F)cc2)c(O)cc1C	768441546	JNTCNKYJJKTBFJ-UHFFFAOYSA-N	319.376	3.359	10	20	DGCD	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cc(O)cs1	777534522	QRZCTORUVUKSTH-UHFFFAOYSA-N	301.289	3.143	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]2C2CCOCC2)c1O	777744884	VTTRXTHYZKRXPN-KRWDZBQOSA-N	321.392	3.125	10	20	DGCD	
CCOC(=O)CC[C@H]1CCCN(Cc2ccc(C)cc2O)C1	876814312	LOAMWJAVLLUPBT-OAHLLOKOSA-N	305.418	3.256	10	20	DGCD	
Cc1cccc(O)c1CN1CCc2nc(C(C)(C)C)ncc2C1	877651454	YVROUMCAMSMOFF-UHFFFAOYSA-N	311.429	3.346	10	20	DGCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnn1C(C)C	773017808	FXZSYHTVRQODDC-CYBMUJFWSA-N	314.433	3.329	10	20	DGCD	
CC[C@@H](NC[C@@H](O)COc1cccc(F)c1)c1ccccc1O	775491005	XPTPDACUPFMNOM-RHSMWYFYSA-N	319.376	3.012	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCCOC[C@@H]3C)c2c1	772819464	CPBMVCICVVAMLZ-ZDUSSCGKSA-N	301.386	3.165	10	20	DGCD	
COc1ccc(N(C)C[C@@H]2CCCCN2C(C)C)c(OC)c1	787732694	ZASLTUATZXJFBT-HNNXBMFYSA-N	306.450	3.403	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCSc1ccccc1	784281545	RRWMLOJTZLMYSV-VQHVLOKHSA-N	316.378	3.447	10	20	DGCD	
CS[C@@H](CNCc1ccc(N2CCOCC2)cc1)C(C)(C)C	784625515	GEAWYGQNTSJODN-KRWDZBQOSA-N	322.518	3.391	10	20	DGCD	
CCc1cccc(CN2CCC[C@@H](Cc3nc(C)no3)C2)c1O	897577877	ZZICLIBMTQQEDS-AWEZNQCLSA-N	315.417	3.101	10	20	DGCD	
COc1ccc(CNCCO[C@@H]2CCCC[C@@H]2C)c(O)c1OC	892580034	YVVYQTFNSWATRS-DZGCQCFKSA-N	323.433	3.094	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1nc(C(C)C)n[nH]1	1330713004	GOQPARSXOGCLJC-NEPJUHHUSA-N	300.406	3.280	10	20	DGCD	
CC[C@@H](NCc1c(O)nnc(C)c1C)c1cccc(Cl)c1O	1258391612	LQVZPLATFKNZSM-CQSZACIVSA-N	321.808	3.399	10	20	DGCD	
C[C@H](NC(=O)N1CC2CCC1CC2)c1ccc(N(C)C)cc1	1255140569	QDYKXHUAIZKWJP-CBCUQQMYSA-N	301.434	3.398	10	20	DGCD	
CCC(O)(CC)CCNCc1c(O)cccc1Br	1261814221	TXDMKXCTEYBWDU-UHFFFAOYSA-N	316.239	3.186	10	20	DGCD	
CCc1cccc(CN[C@H](C(=O)O)c2cc(C)cc(C)c2)c1O	1605828823	OEWWPPVSMMRSBR-KRWDZBQOSA-N	313.397	3.487	10	20	DGCD	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(N)cc1	1578230608	CRWHBRNNWJASAW-FZMZJTMJSA-N	322.405	3.114	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](C)[C@H]2CCCN)ccc1N(C)C	1579598122	CWKVLIVDGNODFY-DNVCBOLYSA-N	303.494	3.400	10	20	DGCD	
Nc1ccc(CCNC(=O)NCCc2cccc(Cl)c2)cc1	1580443588	RQXNKSJGVMXPPA-UHFFFAOYSA-N	317.820	3.007	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2ccc(-c3nn[nH]n3)cc2)c(O)c1	1591947350	BLHMEZNDGSXAQG-ZDUSSCGKSA-N	323.400	3.040	10	20	DGCD	
Cc1cccc2c(O)c(C(=O)N(C)Cc3ccccc3O)cnc12	155631876	CGTPKUNSDCCPPV-UHFFFAOYSA-N	322.364	3.227	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2O3)c(C)n1-c1ccccc1	155316988	UPPJXDPWSOVNTE-JQHSSLGASA-N	310.397	3.144	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2O)C1	708135156	WRCOXPLFRYXPLO-SNVBAGLBSA-N	320.614	3.029	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(Cl)c1	136488556	ZXMWKGXCHMBSFK-UHFFFAOYSA-N	311.790	3.463	10	20	DGCD	
CCOc1cccc(CN[C@H](COC)c2ccc(CC)o2)c1O	174481142	TUIYHBGZCJBSBE-OAHLLOKOSA-N	319.401	3.424	10	20	DGCD	
CC[C@@H](COC)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	303759847	OECFCIQKMTYTFM-HNNXBMFYSA-N	318.392	3.388	10	20	DGCD	
CS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1	117400737	BDSGCWVYKCFANM-HOCLYGCPSA-N	321.490	3.226	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Cl)cn2)c1	175863490	RXBCFEPAAKWJSO-SECBINFHSA-N	321.764	3.332	10	20	DGCD	
O=C(CN1CCCc2cc(OC(F)F)ccc21)N1CCCCC1	65596967	AROQEAITGDAVMX-UHFFFAOYSA-N	324.371	3.053	10	20	DGCD	
C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	302991444	MNQWOFWXAOPCDP-TZMCWYRMSA-N	307.413	3.270	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cc(F)ccc1F	173151852	PXFDXIHSTXCWBC-UHFFFAOYSA-N	318.367	3.232	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCOC4(CCC4)C3)c2c1	129638053	QCULHCOFKHNFHL-UHFFFAOYSA-N	313.397	3.309	10	20	DGCD	
CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)C1(C)C	185791523	UVJNNKZMMMWQJU-LSDHHAIUSA-N	321.417	3.154	10	20	DGCD	
COc1cc(Br)cc(CN2CCC[C@@H]2C)c1O	124299722	RHSCEOBIXVAUAN-VIFPVBQESA-N	300.196	3.148	10	20	DGCD	
CC(C)[C@H]1CCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	316656090	WIQYJKMDQIGLEN-FWPCIQOSSA-N	304.346	3.317	10	20	DGCD	
COc1cc(Cl)cc(CNCCOc2ccccc2)c1O	228669520	DZNVRIFVINSMBJ-UHFFFAOYSA-N	307.777	3.223	10	20	DGCD	
C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(O)c2O)C1	193104501	IYSHBOGNHBHEHA-NHYWBVRUSA-N	315.344	3.460	10	20	DGCD	
Cc1noc(COc2ccc(NCc3ccccc3O)cc2)n1	132178568	BLXXRORXCDXTOS-UHFFFAOYSA-N	311.341	3.275	10	20	DGCD	
CC(C)C1(C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	190317587	DQUFDCJIEYNQJO-FNORWQNLSA-N	303.402	3.396	10	20	DGCD	
CC[C@H](NCC1(C)COC1)c1cc(Br)ccc1O	94721788	QGJUOTRFUVSTBE-LBPRGKRZSA-N	314.223	3.232	10	20	DGCD	
COc1cccc(CNCc2ccccc2OC(F)F)c1O	237224995	RNSKFRIIJYRVMF-UHFFFAOYSA-N	309.312	3.292	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](CO)c2c(F)cccc2F)c1	273540895	YFYZTQXERCCUQI-BONVTDFDSA-N	323.339	3.063	10	20	DGCD	
C[C@H](NC1CCN(C(C)(C)C)CC1)c1cc([N+](=O)[O-])ccc1O	273490350	OBXFXWPJEMLHCM-LBPRGKRZSA-N	321.421	3.214	10	20	DGCD	
Cn1cc(-c2ccccc2CNCc2cc(F)ccc2O)cn1	368592451	QFNSWEULCUKFFC-UHFFFAOYSA-N	311.360	3.222	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2ccc3ccccc3c2O)c(=O)n1C	279597557	VWZDLRHHOCSFQI-CQSZACIVSA-N	322.408	3.403	10	20	DGCD	
COCC1(NCc2cc(Br)cc(C)c2O)CCC1	284288715	AYJYTCQHRVMPER-UHFFFAOYSA-N	314.223	3.122	10	20	DGCD	
CSc1cccc(NC(=O)N(C)Cc2ccccc2O)n1	806784505	XSGDLAVQPJOTHD-UHFFFAOYSA-N	303.387	3.173	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCOC1	802151534	CKNZYIUOPQQIDH-GOSISDBHSA-N	320.433	3.131	10	20	DGCD	
CC(=O)CCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	299264392	VFUZCQWETVHFSH-UHFFFAOYSA-N	304.434	3.249	10	20	DGCD	
CCCN1C(=O)N(c2cc(Cl)c(N)c(Cl)c2)C(=O)[C@@H]1C	804211830	YRIPEMRREOAITP-ZETCQYMHSA-N	316.188	3.143	10	20	DGCD	
CC[C@@H](C)[C@H](OC)C(=O)NCc1cc(Cl)cc(Cl)c1O	807838917	SZUDWRBCNQGLKR-OQPBUACISA-N	320.216	3.376	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	815632896	AYVKFNURSSGYLG-SCRDCRAPSA-N	322.424	3.222	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2	816559185	AWILNVYBFFYTPJ-VCTAVGKDSA-N	311.784	3.232	10	20	DGCD	
C[C@@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(Cl)c(Cl)c1O	817976525	NAXSHGUDQSWEHR-VGMNWLOBSA-N	307.196	3.050	10	20	DGCD	
CCOc1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(O)c1	811518813	PEXSFYIWAVMKQO-ROUUACIJSA-N	317.429	3.324	10	20	DGCD	
O[C@@H](CNc1ccccc1OCCF)COCc1ccccc1	819486988	BITNYZYBTQNKES-INIZCTEOSA-N	319.376	3.025	10	20	DGCD	
CC[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C	727941325	QMSMMUVTSSCQAN-MRXNPFEDSA-N	301.434	3.153	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(OCCOC(C)C)CC2)c1	825208053	RCJUNBZJESYIBI-UHFFFAOYSA-N	307.434	3.107	10	20	DGCD	
CCC(C)(C)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	824685486	FKKXRCHXKQTUMQ-CQSZACIVSA-N	319.449	3.009	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cnsn1	839126662	WWXFTCNKNCDDSF-UHFFFAOYSA-N	306.391	3.078	10	20	DGCD	
O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(O)cs1	732276931	WYWGROKRXWWGLC-DZGCQCFKSA-N	321.373	3.243	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC=CCC3)ccc21	679298290	ILXLKEVNWWWCBB-UHFFFAOYSA-N	312.413	3.307	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)/C=C\[C@H]1CCOC1	831909352	LWDPPPWAXYJQTG-CDNLZTBQSA-N	303.402	3.114	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2C[C@H]2C(C)C)c1	836621069	JVDIJIITUDWANU-DYEKYZERSA-N	306.406	3.053	10	20	DGCD	
C[C@@H]1CCc2ccccc2N1C(=O)CN(C)Cc1ccccc1O	731843868	ZTEULFMVCHYVQR-OAHLLOKOSA-N	324.424	3.192	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCC(C)(C)CC1	836781671	OETOXGAKVHARKR-LBPRGKRZSA-N	303.402	3.282	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cc(F)ccc1O	834890097	CWXFBLWNFOGIMB-XLWVJDPXSA-N	316.376	3.497	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1coc(CC)n1	838696677	WLEMNMLSPCRSSK-UHFFFAOYSA-N	317.389	3.064	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1(C2CC2)CC1	840477870	ARUAJWPTFXMYBR-AWEZNQCLSA-N	315.461	3.234	10	20	DGCD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NCc2ccccc2O)c1	748344744	BCFULJUVFQAHDY-GFCCVEGCSA-N	319.788	3.438	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc(C(C)(C)O)cc2)c1O	846165677	XHSCWUZGTRKEKH-CYBMUJFWSA-N	315.413	3.479	10	20	DGCD	
CC[C@H](C[C@H](C)CO)NCc1cc(Br)ccc1O	743499930	QFKWBOMXMYDLIJ-GXFFZTMASA-N	316.239	3.041	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](CO)Cc2ccccc2)c2c(O)ccc(F)c21	756586272	QDPRQKHYKWTPDS-IVMMDQJWSA-N	315.388	3.273	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]([S@](C)=O)C2)c(O)c1C	850501891	QYVZXGHXCUMUHX-FQEHYLHMSA-N	309.475	3.349	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCc2cc(C)cc(C)c2)c1	853736544	FRFVRSVUIGPWNJ-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
COCC1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCC1	854005035	YKKMHUPFNBFHNF-AWEZNQCLSA-N	319.449	3.072	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1	850356329	OMJZXKNEODVQTF-RADWXHQJSA-N	322.518	3.312	10	20	DGCD	
CCO[C@H](CCN[C@@H](C)c1cc(C(=O)OC)ccc1O)C(C)C	756629309	PFVMLLKYOBTXKG-SUMWQHHRSA-N	323.433	3.281	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H]1CCCN(CC3CC3)C1)CC2	853240601	OWJMWKLOHPFNQG-NVXWUHKLSA-N	300.446	3.091	10	20	DGCD	
C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1	765393505	KLYXMJVMCDJXQX-ZIAGYGMSSA-N	306.425	3.359	10	20	DGCD	
CN(Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@H]2O	768438007	NMBBABUKDJJQEV-MRXNPFEDSA-N	319.788	3.103	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNCCNc1cnccn1	760702113	PXHBXSINGXAPHH-UHFFFAOYSA-N	320.396	3.051	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](CCO)c2ccco2)c2c(O)ccc(F)c21	769412769	ISTBOFFZSXGPHL-RAIGVLPGSA-N	305.349	3.386	10	20	DGCD	
OC1CCN(c2ccc(CN3C[C@H]4CCCC[C@H]4C3)cc2)CC1	877566290	GFAFNKCOJJNTQF-HDICACEKSA-N	314.473	3.270	10	20	DGCD	
C[C@@H](NCCN1CCC1)c1ccc(N2CCCCCC2)cc1	773095367	RTHUVMBGEPXYKU-QGZVFWFLSA-N	301.478	3.423	10	20	DGCD	
C[C@@H](NCCN1CCCC(C)(C)C1)c1cc(F)cc(F)c1O	774484607	BSFMUNDVLJKTGI-GFCCVEGCSA-N	312.404	3.443	10	20	DGCD	
CC[C@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(F)F	873129562	RHMLDDXGFADVJG-AWEZNQCLSA-N	309.360	3.073	10	20	DGCD	
CN(C)c1ccc(CNc2nnc(C(F)F)s2)cc1F	770457060	FEMBEHVUQNLLOX-UHFFFAOYSA-N	302.325	3.293	10	20	DGCD	
O=C(NCCCSc1nccs1)NOC1CCCCC1	779630398	JTZKUVRHTLSUBF-UHFFFAOYSA-N	315.464	3.189	10	20	DGCD	
C/C=C(\C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	770513264	MOVBQQVVCCAZEX-QDEBKDIKSA-N	305.333	3.367	10	20	DGCD	
CC(C)n1cc(Cl)c(NCc2cc([N+](=O)[O-])ccc2O)n1	886367382	XSPKJKGYJPZQNV-UHFFFAOYSA-N	310.741	3.343	10	20	DGCD	
CNC(=O)CC1(CN[C@H](C)c2c(O)cccc2F)CCCCC1	886640162	SWRLDYWQJQPJQQ-CYBMUJFWSA-N	322.424	3.269	10	20	DGCD	
C[C@@H](CNC(=O)Nc1ccc(N)cc1)COCc1ccccc1	390140211	OFLAYMQYNVXYGM-AWEZNQCLSA-N	313.401	3.243	10	20	DGCD	
COCCOCCN(C)c1ccc(OCc2ccccc2)cc1	781964695	YCBARCKNOSUUEL-UHFFFAOYSA-N	315.413	3.365	10	20	DGCD	
CCCCCC[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	783864417	JMUFASOJZWWAKG-GFCCVEGCSA-N	308.374	3.430	10	20	DGCD	
CC[C@@H](NC[C@H](CO)Cc1ccco1)c1ccc(C)cc1O	794810549	LUVWSAZWJZNEKO-RHSMWYFYSA-N	303.402	3.186	10	20	DGCD	
C[C@H](Cc1ccco1)NCc1ccc(Br)cc1O	691452122	CQRLKNSGYXSGNZ-SNVBAGLBSA-N	310.191	3.469	10	20	DGCD	
O=S(=O)(Nc1nc(-c2cccc(F)c2)cs1)c1ccoc1	795546538	DOFZDLYWSWWTNE-UHFFFAOYSA-N	324.358	3.343	10	20	DGCD	
c1ccn2ncc(CNCc3ccc(N4CCCC4)cc3)c2c1	1261177228	ONLUGLWPRWUBCR-UHFFFAOYSA-N	306.413	3.224	10	20	DGCD	
CCOc1cc(C=O)ccc1OCc1cc(C(=O)O)oc1C	1605670168	RCVSEGYBFJROTC-UHFFFAOYSA-N	304.298	3.076	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCc2cc(C(=O)O)ccc21	1600236965	OZKYLEPOXZOSRP-UHFFFAOYSA-N	310.397	3.322	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1ccc(F)cc1C(F)(F)F	151359342	PNZRBHWENXLRPE-FPYGCLRLSA-N	307.293	3.333	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)cc1F	151454808	XJDOHDAFZHKLAV-PBHICJAKSA-N	324.465	3.036	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC2CCN(C(=O)OC)CC2)cc1	152980327	WHKHQXBWMRLYPD-AWEZNQCLSA-N	319.449	3.024	10	20	DGCD	
C[C@@H]1C[C@H](CNCc2cc(Br)ccc2O)CCO1	271461862	JXFYGUGXIGMMHU-GHMZBOCLSA-N	314.223	3.059	10	20	DGCD	
C[C@H]1C[C@H](CNCc2cccc(Br)c2O)CCO1	388683373	ISFRGNWGMVMELF-WDEREUQCSA-N	314.223	3.059	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc3cc[nH]c23)c1	176007451	YWVYNVOGWICJGZ-NSHDSACASA-N	310.353	3.373	10	20	DGCD	
CC[C@@H](C)[C@@](C)(O)CNCc1cc(Br)ccc1O	112380070	CFBOIUJLEWFPPD-YGRLFVJLSA-N	316.239	3.041	10	20	DGCD	
COc1ccc(N(C)Cc2nc3ccccc3n2C)c(OC)c1	179006628	CUGBLRLRFGFVEU-UHFFFAOYSA-N	311.385	3.227	10	20	DGCD	
CN(Cc1c(O)ccc2oc3c(c12)CCCC3)C[C@@H]1CCOC1	176093814	RDDNPKVCDYWHDA-ZDUSSCGKSA-N	315.413	3.486	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](O)c2ccco2)cc1F	304488595	CJWQCOJRRCPAND-MRXNPFEDSA-N	306.381	3.088	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2)c(O)c1	185184377	ZLBQVIREFXGLIN-HUUCEWRRSA-N	312.413	3.056	10	20	DGCD	
CCc1cnc(NCc2ccc(N3CCOCC3)cc2)s1	185963894	ITWAXEIIKHNGJG-UHFFFAOYSA-N	303.431	3.154	10	20	DGCD	
CCCc1cnc(NC(=O)N(C)Cc2ccccc2O)s1	180826885	PTSJGGJRPBZCQK-UHFFFAOYSA-N	305.403	3.465	10	20	DGCD	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(F)ccc1O	180253100	PPLWDIJIROWFRF-IPQOISQHSA-N	321.417	3.462	10	20	DGCD	
CCOc1ccccc1NC[C@@H](O)COc1ccccc1C	314536490	IEYANOMLYYKLKV-OAHLLOKOSA-N	301.386	3.246	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(C)c1F	186438615	UUGAUSKFZSANKN-LBPRGKRZSA-N	317.360	3.215	10	20	DGCD	
CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Br)ccc1O	131503137	XANRBDOJSYMPJW-GXFFZTMASA-N	314.223	3.154	10	20	DGCD	
COc1ccc(N(C)Cc2c[nH]nc2-c2cccnc2)cc1F	180773999	FBDHOJLUXOHQKT-UHFFFAOYSA-N	312.348	3.256	10	20	DGCD	
CN(CCSc1ncc([N+](=O)[O-])s1)Cc1ccccc1	192553477	QLRGVEONYPJRTF-UHFFFAOYSA-N	309.416	3.275	10	20	DGCD	
c1ccc(-n2cccn2)c(CNCc2ccc3c(c2)CCO3)c1	236600071	KOHRUNROIZPQJS-UHFFFAOYSA-N	305.381	3.097	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cc(Br)ccc1O	91956425	NLIJAZDYNHPZOV-UHFFFAOYSA-N	322.202	3.492	10	20	DGCD	
COC[C@@H](Cc1ccccc1)NCc1ccc(N(C)C)c(F)c1	237171134	SXMJOIVLNXGWKP-QGZVFWFLSA-N	316.420	3.239	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]2CN2CCCCC2)c1O	92218875	MZBCIEZUMZNVNV-QGZVFWFLSA-N	318.461	3.241	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1	270090843	KRGGLWZNOGDDFQ-YEJXKQKISA-N	303.427	3.289	10	20	DGCD	
CO[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1	273363681	DKNZAFLFKAKLSH-SJKOYZFVSA-N	316.357	3.339	10	20	DGCD	
Cc1cc(C(=O)NC2CC(F)(F)C2)c(C)n1-c1ccccn1	277578491	OGPZAJZWNZBODI-UHFFFAOYSA-N	305.328	3.017	10	20	DGCD	
COc1cc(Cl)cc(CN2CCOCC23CCCC3)c1O	273755872	OFVIDAXQVZFDLF-UHFFFAOYSA-N	311.809	3.199	10	20	DGCD	
C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1O	273449208	FPOYUTGLGAZJPB-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]2CCCC[C@H]21	286686925	GKMXXWGWTZMWLJ-RBSFLKMASA-N	303.402	3.321	10	20	DGCD	
C[C@@H](NCCC1(O)CCOCC1)c1ccc2ccccc2c1O	287481143	MUQZGYKGJUBKHI-CQSZACIVSA-N	315.413	3.128	10	20	DGCD	
Cc1cccc(CNc2ccc(OC(C)C)c(C(N)=O)c2)c1O	280168815	FUMQQUOJPOJOGR-UHFFFAOYSA-N	314.385	3.199	10	20	DGCD	
CCc1c(C(=O)NCc2ccc(N3CCCC3)cc2)ccn1C	289587319	QQTANJWGQGREOE-UHFFFAOYSA-N	311.429	3.118	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCCOCC	282955706	DFZRDOSQQDWQSZ-UHFFFAOYSA-N	308.422	3.131	10	20	DGCD	
COCc1cc(NCc2cc(C)ccc2O)cc(C(=O)OC)c1	292803772	NUZRTFMEJVMLKY-UHFFFAOYSA-N	315.369	3.246	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(CF)CC2)cc1	296507349	ZBXQIJBYSKLYIP-UHFFFAOYSA-N	321.440	3.424	10	20	DGCD	
O=C1/C(=C\c2cnccn2)SC(=S)N1c1ccc(F)cc1	809151996	ACNNLPQDKLSGFL-KPKJPENVSA-N	317.370	3.022	10	20	DGCD	
C[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])[C@H](C)[C@H]1C	399580809	HQZRKJYFTRWZTA-BNUQVFHNSA-N	304.346	3.173	10	20	DGCD	
O=C(CC1CCOCC1)NCc1cc(Cl)cc(Cl)c1O	807836632	ICPGWILHVJBQQT-UHFFFAOYSA-N	318.200	3.132	10	20	DGCD	
CCC[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	817903399	BPKQBVXBLZDVGC-NSHDSACASA-N	303.431	3.235	10	20	DGCD	
NC(=O)CN(Cc1ccccc1)Cc1ccc2ccccc2c1O	816509290	LGSFUHHMGDKZAF-UHFFFAOYSA-N	320.392	3.033	10	20	DGCD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NCCc1ccc(N)cc1	818544575	CMIKPZKRKYVISZ-CYBMUJFWSA-N	316.832	3.460	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNC[C@@H]1C[C@H]1C1CCC1	818223254	SQPOYYDGCRQMHJ-HKUYNNGSSA-N	300.446	3.049	10	20	DGCD	
COc1ccc(CNCc2conc2Cc2ccccc2)c(O)c1	816597520	VIHNGODVMDUCRK-UHFFFAOYSA-N	324.380	3.269	10	20	DGCD	
CC(C)N1CCC[C@@H](CNCc2cc(Cl)c(F)cc2O)C1	816548366	FLWQCTCVCVGBEW-LBPRGKRZSA-N	314.832	3.395	10	20	DGCD	
CCCN(CC)C[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	810262543	SDVBBDYUYGXFQD-CHWSQXEVSA-N	309.410	3.071	10	20	DGCD	
CCc1cc(NCc2ccc(N3CCSCC3)cc2)ncn1	733186683	DEGSUODUDFGSTR-UHFFFAOYSA-N	314.458	3.204	10	20	DGCD	
CC(=O)c1cc(F)cc(Cn2cnc3c2C[C@H](C)[C@H](C)C3)c1O	830919318	ZLVPASHDTSZCBX-MNOVXSKESA-N	316.376	3.350	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc(C)c([N+](=O)[O-])c1	833681335	YNMPGPHGQIPTHX-UHFFFAOYSA-N	305.286	3.336	10	20	DGCD	
Fc1cc(CN[C@H]2CC[C@H]2C2CC2)cc(F)c1N1CCOCC1	839145193	NJYXGUGIVUTJOS-YOEHRIQHSA-N	322.399	3.080	10	20	DGCD	
CCc1ocnc1C(=O)NCc1ccc(N(CC)CC)c(F)c1	739722708	WVRNFGCBMUQYCE-UHFFFAOYSA-N	319.380	3.152	10	20	DGCD	
C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CCCC1	674097519	HOUILMOVRNCKIV-CYBMUJFWSA-N	302.418	3.304	10	20	DGCD	
CC[C@@](O)(CC(=O)N(C)Cc1ccccc1O)c1ccccc1	840394528	HCKBVXGMSIUDRV-LJQANCHMSA-N	313.397	3.039	10	20	DGCD	
CCc1cccc(CN[C@H](C(=O)OC)c2ccccc2F)c1O	848904328	QISTXNAKBNPLRU-INIZCTEOSA-N	317.360	3.098	10	20	DGCD	
CCN(C[C@H](O)COc1ccccc1C)c1ccc(OC)cc1	746107828	RSUGHGMYPJYIMD-KRWDZBQOSA-N	315.413	3.270	10	20	DGCD	
CCCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)ccc1O	916232028	FFUMPRMHCDRAFF-QGZVFWFLSA-N	312.369	3.377	10	20	DGCD	
C[C@@H](NCCc1cn2c(n1)CCCC2)c1ccc(Cl)cc1O	841745659	RYRHLDHVWAXEDB-GFCCVEGCSA-N	319.836	3.472	10	20	DGCD	
C[C@H](CCc1n[nH]c2ccccc12)NCCc1ccc(N)cc1	841033852	CCPLJRSFMKXOLP-CQSZACIVSA-N	308.429	3.299	10	20	DGCD	
Cc1cc(CN(C[C@H](C)O)C2CC2)ccc1N1CCCCC1	847095428	BREQELQIYSPKEJ-INIZCTEOSA-N	302.462	3.331	10	20	DGCD	
CCn1nncc1CNCc1cc(C)n(-c2cccc(C)c2)c1C	858202779	JAIRIUMGUOENRZ-UHFFFAOYSA-N	323.444	3.304	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCO[C@]3(CCOC3)C2)c2c(O)ccc(F)c21	756783443	YWNAAJKEUBBBMM-LSIMKLPESA-N	321.392	3.007	10	20	DGCD	
CC1=C(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCC1	752150444	ARLBXURGVZVCNX-INIZCTEOSA-N	315.413	3.400	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](C2CCCCC2)C1	857316351	VKDWNKUNXGGKKE-GFCCVEGCSA-N	307.365	3.279	10	20	DGCD	
COc1cc(CN[C@@H]2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1	850234571	IHESYCOWPCWSQV-TZMCWYRMSA-N	307.434	3.355	10	20	DGCD	
Cc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)nn1C	767887680	LHPOKLBQRQULFQ-UHFFFAOYSA-N	312.461	3.351	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(N(C)C)c(F)c1	779432632	XXRQHRLMGXKJBB-RDTXWAMCSA-N	322.424	3.103	10	20	DGCD	
COc1ccccc1C1(C(=O)NCCc2ccc(N)cc2)CCC1	1118144318	VXZZCDXBGDFUCZ-UHFFFAOYSA-N	324.424	3.058	10	20	DGCD	
CC[C@H](C)n1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C	779543818	FVEQORYVUVMLKF-JYKYSHPRSA-N	315.373	3.226	10	20	DGCD	
CCc1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	773007790	KHZSIAQYSBDTOA-LLVKDONJSA-N	303.431	3.263	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCc2cc[nH]n2)c1O	779025701	YUCRZGMXNJFURJ-VIFPVBQESA-N	310.195	3.037	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)[C@H]1C	877594568	VGRHNYYHXOMJJL-PMPSAXMXSA-N	302.462	3.124	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC[C@@H](C4CC4)C3)cc2)CC1	877535481	OGRYWSIJMZGQBQ-GOSISDBHSA-N	314.473	3.270	10	20	DGCD	
CCOC(=O)C1(CNCc2ccc(N(CC)CC)c(F)c2)CC1	770666218	WMUIBPOTHLXVIE-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
COc1ccc(N2CCN(C[C@H]3CC=CCC3)CC2)cc1F	770301129	MIDJOZCVLBBZBO-HNNXBMFYSA-N	304.409	3.313	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CC(=O)c2ccccc21)c1ccc(N(C)C)cc1	789665181	BABPTTDTBJSSCK-FZKQIMNGSA-N	322.408	3.300	10	20	DGCD	
CC(C)(C)OC(=O)CCCNCc1c(O)ccc(Cl)c1F	790971663	ULQRKKIYNZXSFE-UHFFFAOYSA-N	317.788	3.396	10	20	DGCD	
CC[C@@H](C)n1ncc(NC(=O)c2ccc(C)c(O)c2O)c1C	791585940	WRWOUOJDXBFEAC-SNVBAGLBSA-N	303.362	3.134	10	20	DGCD	
C[C@@H]1CC[C@@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1	793347297	RWXPPCUQACYHQJ-HUUCEWRRSA-N	306.425	3.188	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cc(C)cc(F)c2)c(O)c1	797636780	LUJYZVWYXLZZDD-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCCC[C@H](C)O)cc1	795388769	YLSSFYCXWORDNM-HNNXBMFYSA-N	301.386	3.412	10	20	DGCD	
CCOCc1cc(CN[C@H]2CCCC[C@@H]2N(C)C)ccc1OC	1322714453	QSWHLIHMPVJDCM-ROUUACIJSA-N	320.477	3.194	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)n1cccc1	1327341389	OECPFPWGTLSWIA-JKSUJKDBSA-N	313.445	3.171	10	20	DGCD	
CCOC(=O)N1CC[C@H](N[C@H]2C[C@H](C)c3c(C)ccc(O)c32)C1	1338185067	CZHZFFRWCOIOFM-IHRRRGAJSA-N	318.417	3.069	10	20	DGCD	
Nc1ccc(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1	1341343591	MGSICZRJNSXDAS-UHFFFAOYSA-N	323.396	3.147	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2oc(C3CC3)nc2C(F)F)c1	1350112316	ZGDHQXPWOPMAOK-UHFFFAOYSA-N	322.311	3.434	10	20	DGCD	
O=C(O)Cc1ccccc1CNCc1ccc(N2CCCC2)cc1	1608790130	OXDAVRLCZRBISU-UHFFFAOYSA-N	324.424	3.204	10	20	DGCD	
Cc1cc(CN2CC[C@@H](CCN)C2)ccc1N1CCCCC1	1579598290	NKRYDZIENSQIGM-QGZVFWFLSA-N	301.478	3.156	10	20	DGCD	
C/C(=C\c1cccnc1)C(=O)N1CC[C@H](C(=O)O)c2ccccc21	1589005525	IPHSOOQZWYNWRX-BYIUCRAPSA-N	322.364	3.090	10	20	DGCD	
C[C@H](NCc1ccccc1CC(=O)O)c1ccc(N(C)C)cc1	1593305616	YLLRKNMZBXZGID-AWEZNQCLSA-N	312.413	3.231	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)c2cc(C(=O)O)ccc2O)c1	1599392696	SKORFMURTNYGDQ-GFCCVEGCSA-N	315.369	3.258	10	20	DGCD	
CCN1CCc2cc(CN[C@@H]3C[C@@H](C(=O)O)CC[C@H]3C)ccc21	1776877578	VLENRKIASSDKFB-XOKHGSTOSA-N	316.445	3.048	10	20	DGCD	
CCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S	1601352	TXJSFYCYKJAIGC-RTFKAXJXSA-N	320.395	3.372	10	20	DGCD	
CCCOc1ccc(CN[C@H](COC)c2ccco2)c(O)c1	177576964	AHQVBQZAONWBBE-OAHLLOKOSA-N	305.374	3.251	10	20	DGCD	
COCc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1	69950549	VBIZARUPGHXZCQ-UHFFFAOYSA-N	324.424	3.145	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2CCCC[C@H]2C)cc1Cl	121862284	BAFPHPGEFPKXSC-GFCCVEGCSA-N	310.825	3.186	10	20	DGCD	
CN(Cc1cn(C)nc1C(C)(C)C)c1ccc2c(c1)OCO2	180759630	KAGDZADGQWNNJK-UHFFFAOYSA-N	301.390	3.083	10	20	DGCD	
O=C(CSc1nccs1)NC1(c2ccccc2)CCC1	77580757	KBLNARYICGVNKM-UHFFFAOYSA-N	304.440	3.431	10	20	DGCD	
Cc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1Cl	122560890	JJISFHOZMAMHLY-UHFFFAOYSA-N	305.761	3.032	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCCn2ccnc2)c1O	186926785	IBWBBUYQEMNUBH-NSHDSACASA-N	324.222	3.010	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)c2cccs2)c1	131089387	OMZQRMKXJFRMJW-MNOVXSKESA-N	305.399	3.443	10	20	DGCD	
C[C@@H](Cc1ccccc1F)C(=O)N(C)Cc1ccccc1O	130524933	NGOKDUQPMWHFCR-ZDUSSCGKSA-N	301.361	3.369	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](C)c2c(F)cccc2F)c1O	131482950	IOKITABRXCDSSH-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
Cc1cc(C(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c(C)n1-c1ccccn1	247629079	UPXQGECLKKOKPO-USJZOSNVSA-N	321.424	3.263	10	20	DGCD	
O=C(c1cccs1)N(Cc1ccccc1O)C[C@H]1CCCO1	247903717	LIQZDPHJVNBJLQ-CQSZACIVSA-N	317.410	3.275	10	20	DGCD	
CC[C@H](NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1O	248587922	YKEAGHYJPYNDDQ-ZOBUZTSGSA-N	320.477	3.321	10	20	DGCD	
CC(C)[C@H]1C[C@H](CC(=O)N(C)Cc2ccccc2O)CCO1	272899488	XURUYSVINRXWQW-RHSMWYFYSA-N	305.418	3.192	10	20	DGCD	
CCCN(Cc1cccc(OC)c1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	271214397	WGKBRNBHSLDTCJ-QGTPRVQTSA-N	319.445	3.426	10	20	DGCD	
CCn1cc(CCN(Cc2ccc(N(C)C)cc2)C(C)C)cn1	285037544	NIKWILFJCKREPX-UHFFFAOYSA-N	314.477	3.422	10	20	DGCD	
CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1O	287559380	GEJPOJXNICYJRW-ZWNOBZJWSA-N	312.841	3.390	10	20	DGCD	
O=C(NC1CC1)[C@@H](Sc1nccs1)c1ccc(F)cc1	299069374	XEQBKZFFMMTYFH-LBPRGKRZSA-N	308.403	3.394	10	20	DGCD	
CO[C@H](C)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	809718795	YPFNVMSXBYRJHA-CQSZACIVSA-N	321.421	3.052	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1cccc(Cl)c1F	810156783	UGPOLAFSWUJJPP-UHFFFAOYSA-N	307.752	3.386	10	20	DGCD	
CCn1nc(C)c(CN[C@@H](C)c2ccc3ccccc3c2O)n1	818345403	MXZVZFZYRYMHBF-LBPRGKRZSA-N	310.401	3.316	10	20	DGCD	
Cn1c(=O)oc2cc(NCc3cc(Cl)c(F)cc3O)ccc21	816563672	GLKPRAOZNRWFMM-UHFFFAOYSA-N	322.723	3.242	10	20	DGCD	
CNC(=O)c1cccc(CNCc2ccc3ccccc3c2O)c1	816531617	XYTPARZOTRJDNX-UHFFFAOYSA-N	320.392	3.195	10	20	DGCD	
C[C@H](CCO)C1(CNCc2cc(Cl)c(F)cc2O)CCC1	816560527	RKRDLNODYCATAQ-LLVKDONJSA-N	315.816	3.463	10	20	DGCD	
CCN(CCOc1ccccc1OC)Cc1ccccc1O	827762697	QYIAQHNMTDPFKT-UHFFFAOYSA-N	301.386	3.302	10	20	DGCD	
Cc1ccc(C(C)(C)CNC(=O)NCc2ccccc2O)cc1	728748307	SWEONLZNDZSVLH-UHFFFAOYSA-N	312.413	3.478	10	20	DGCD	
COc1cc(CN(C2CC2)C2COC2)c(O)c(C(C)(C)C)c1	826030305	WDAWDTSWYCTRPB-UHFFFAOYSA-N	305.418	3.062	10	20	DGCD	
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc(O)cs1	846654893	JSHKFMAVTGEELY-UHFFFAOYSA-N	318.442	3.094	10	20	DGCD	
O=C1CCCN1[C@@H]1CCCN(Cc2cc(Cl)ccc2O)CC1	840975597	ZJINIKJXUVWSQH-OAHLLOKOSA-N	322.836	3.023	10	20	DGCD	
C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](c2ccccc2)O1	841301251	HDQLFEVMUMDOSY-SUMWQHHRSA-N	311.385	3.263	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O	840120450	LLUDUPCSLAMMKR-ZTFGCOKTSA-N	312.413	3.066	10	20	DGCD	
CN1CCCc2cc(CNCc3cccc(C(=O)O)c3)ccc21	840994520	KUDUSUPIUOMRGL-UHFFFAOYSA-N	310.397	3.057	10	20	DGCD	
CCc1cccc(CN[C@@]2(C)CCCC[C@@H]2C(=O)OC)c1O	848891374	QDJQIBSPAQXUCW-QAPCUYQASA-N	305.418	3.166	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1cn(C)cn1	926596556	PWLXUVLBTTXQBP-CABCVRRESA-N	300.450	3.076	10	20	DGCD	
CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1C	756984105	CRLSMFBXLKCURB-WMLDXEAASA-N	303.450	3.439	10	20	DGCD	
COc1cc(O)c(CN2CC[C@H]2c2ccc(F)cc2)cc1OC	853544804	KGOXJOVSISFWGY-HNNXBMFYSA-N	317.360	3.496	10	20	DGCD	
COc1cc(C)nc(CN(C)c2ccc(OC)c(OC)c2)c1	757084718	DWQMPNOYPVNFTN-UHFFFAOYSA-N	302.374	3.052	10	20	DGCD	
O=C(COC(=O)C1[C@H]2CCCCCC[C@H]12)c1ccc(O)c(O)c1	850303920	BKHVFYZDHZDTSH-STQMWFEESA-N	318.369	3.040	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1ccsc1)c1cc(F)cc(F)c1O	756603785	KWGWBVKZRQJPMP-RFAUZJTJSA-N	313.369	3.290	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)C3(OC)CCC3)C2)cc1	850475293	YXQGEDFSZUUNDS-HZPDHXFCSA-N	318.461	3.069	10	20	DGCD	
COC[C@H](N[C@H](C)c1ccc(Br)cc1O)C(C)C	756599078	WSVJRCYYNPFKJE-MFKMUULPSA-N	316.239	3.476	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC(C)(F)F)cc1F	757934865	BXOYTMSVGDQZKQ-UHFFFAOYSA-N	302.340	3.333	10	20	DGCD	
COc1cc(C)cc(CN2CCC(CCCN(C)C)CC2)c1O	766379178	BHGVPIFGDAETGJ-UHFFFAOYSA-N	320.477	3.263	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c(O)c1	861490031	NYRXHYWFFFJRJE-DLBZAZTESA-N	311.381	3.129	10	20	DGCD	
O=C(CC(C1CCC1)C1CCC1)NCc1ccc(O)c(O)c1	860243603	RHGIMCYKOXPOFA-UHFFFAOYSA-N	303.402	3.321	10	20	DGCD	
COC[C@@H](CC(C)C)NC1CCN(c2ccc(OC)cc2)CC1	765638710	NVKGPUDXLKZFEN-QGZVFWFLSA-N	320.477	3.315	10	20	DGCD	
CC[C@H](N[C@@H]1CCN2CCCC[C@H]12)c1ccc(N(C)C)cc1	764967362	UFAAJAPZCXMRRW-IPMKNSEASA-N	301.478	3.420	10	20	DGCD	
CCC[C@H](CCO)N[C@@H](C)c1ccc(Br)cc1O	866414342	DYTKNPWDZDOYRX-CMPLNLGQSA-N	316.239	3.356	10	20	DGCD	
COC(=O)[C@H](NCc1cccc(Cl)c1O)c1ccccc1F	779178346	NTNZAGQUYUGQMN-CQSZACIVSA-N	323.751	3.189	10	20	DGCD	
CCCC[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)OC	775980376	QPKCZEAYAYQJBR-GOSISDBHSA-N	318.461	3.498	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1	773008896	HYTOZXRMKCYDGS-SKDRFNHKSA-N	301.217	3.124	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc(F)cc1F)c1ccc(N(C)C)cc1	773026617	SOENEXHDIQEXNH-LBPRGKRZSA-N	318.367	3.451	10	20	DGCD	
Cc1cc(C)cc(C[C@H](C)NC(=O)NCc2ccc(N)cc2)c1	1120519716	OHLTZARJSDROLD-HNNXBMFYSA-N	311.429	3.316	10	20	DGCD	
c1cc(N2CCSCC2)ccc1CNc1nnc(C2CC2)o1	784570042	AEUHTBNEWKKMQJ-UHFFFAOYSA-N	316.430	3.112	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1)CCC=C2	788307627	KXCQQQFKBWWYEX-UHFFFAOYSA-N	309.365	3.030	10	20	DGCD	
C[C@@H]1CC[C@H]1N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	783244261	FOSUAYNJBVDWKD-DAXOMENPSA-N	308.853	3.398	10	20	DGCD	
COC(=O)[C@H](NCc1cc(Cl)ccc1O)c1cccs1	789571184	IZYMIYVYKCUWAT-CYBMUJFWSA-N	311.790	3.111	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1O	894192388	BJWNVCYSUYXSSX-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
COc1cc(Br)cc(CN2CC(C(C)C)C2)c1O	793188844	JNJZIFUMAHDIRV-UHFFFAOYSA-N	314.223	3.251	10	20	DGCD	
COC(=O)CC1(CN(Cc2ccc(N(C)C)cc2)C2CC2)CC1	799297198	SVUUBRFLWUVYLY-UHFFFAOYSA-N	316.445	3.060	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@]2(C)CCC[C@H]2C)cc1C	1133444771	ZKINSGPCLMXTMQ-DNVCBOLYSA-N	318.461	3.036	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)c(O)c1	794371151	XHXJZCNAKUVFAX-UHFFFAOYSA-N	322.364	3.122	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNC1(C2CC2)CC1	715829153	SJQNTHIKFOXKDA-UHFFFAOYSA-N	300.171	3.326	10	20	DGCD	
CC[C@@H]1C[C@H]1NC(=O)NCc1ccc(N(CC)CC)c(F)c1	798062795	JYINEWPSEJOPPL-UKRRQHHQSA-N	307.413	3.270	10	20	DGCD	
CO[C@]1(C)CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	792179001	MOCSHFGNVLFLJD-KBXCAEBGSA-N	319.449	3.024	10	20	DGCD	
CCOc1ccc(N2CCN([C@H](C)c3ncc(C)o3)CC2)cc1	1319753427	KEEATXGTDJJCFJ-OAHLLOKOSA-N	315.417	3.265	10	20	DGCD	
C[C@@H](CCC1CC1)NCc1ccc(N2CCN(C)CC2)c(F)c1	1325620438	YAWFIGRMACCECG-HNNXBMFYSA-N	319.468	3.246	10	20	DGCD	
Nc1ccc(CN2CCC(C(=O)c3cccs3)CC2)cc1	1345160155	SMPPZPAXSZUKHV-UHFFFAOYSA-N	300.427	3.425	10	20	DGCD	
C[C@@H](NC(=O)Nc1cc(C(=O)O)ccc1F)c1ccccc1O	1607422000	DJDJINDBJLPUAH-SECBINFHSA-N	318.304	3.112	10	20	DGCD	
CC(=O)Oc1ccc(CN2CCCc3cc(CN)ccc32)cc1	1575031270	RWWWESRPIMXJIK-UHFFFAOYSA-N	310.397	3.023	10	20	DGCD	
CN(C)c1ccc(CN[C@H](C(=O)O)c2c[nH]c3ccccc23)cc1	1777039653	GMPQOVRHMKBOEI-SFHVURJKSA-N	323.396	3.149	10	20	DGCD	
CCN1CCc2cc(CN3CCC[C@](CC)(C(=O)O)C3)ccc21	1776876634	OECOIWIUVDNSJL-IBGZPJMESA-N	316.445	3.146	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccncc1	160277706	MHJNYFUKIGVWAC-OAHLLOKOSA-N	323.440	3.274	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1c[nH]nc1C(C)(C)C	155176008	VGSSXFLGYJXVOP-UHFFFAOYSA-N	300.450	3.405	10	20	DGCD	
COc1cccc(CNC(=O)c2cc(C)cc(Cl)c2)c1O	159711401	LJXOTKWVFRKLCW-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
Cc1cccc(O)c1CN[C@H](C)CN(C)C(=O)OC(C)(C)C	877641480	VSBBVEGHGHZQAQ-CYBMUJFWSA-N	308.422	3.046	10	20	DGCD	
COc1cc(NCc2cc(C)ccc2O)ccc1NC(C)=O	103855204	VMWGWNUQGJOPHT-UHFFFAOYSA-N	300.358	3.280	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1ccoc1C(=O)OC	170779287	BVWXYQGGLRONTH-UHFFFAOYSA-N	303.358	3.184	10	20	DGCD	
COc1ccc(O)c(CNc2cncc(Br)c2)c1	301728380	OXADJTRSHUVACM-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1C	128430690	VVZXDWCVWBEKLN-UHFFFAOYSA-N	300.358	3.079	10	20	DGCD	
CN(CCc1ccccn1)Cc1cccc(Br)c1O	120822550	XLIOYOMZDGMFQQ-UHFFFAOYSA-N	321.218	3.224	10	20	DGCD	
O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(O)c1O	184771415	XCWNAZPWIGNILL-UHFFFAOYSA-N	313.231	3.249	10	20	DGCD	
N#Cc1ccccc1CSCCNCc1cc(F)ccc1O	180405608	HAKBMOWMAZXZKP-UHFFFAOYSA-N	316.401	3.426	10	20	DGCD	
CCS[C@H](C)c1noc(CN(C)c2ccc3c(c2)OCO3)n1	121411772	HANOJXRTRBUKDL-SNVBAGLBSA-N	321.402	3.249	10	20	DGCD	
COCCOc1ccccc1NCc1ccc(N(C)C)cc1	123230673	ALSLCSFJFPVIBK-UHFFFAOYSA-N	300.402	3.390	10	20	DGCD	
C[C@H](Nc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1O	317049585	SHSOALXVARNVTG-NSHDSACASA-N	302.349	3.406	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](C)c2c(C)noc2C)c1	186157664	NYSYMQMYMJXKDU-WDEREUQCSA-N	304.390	3.460	10	20	DGCD	
COc1cccc2c1OC[C@@H](N[C@H](C)c1cc(C)ccc1O)C2	185334405	VJKVZGUUPHSAMH-HIFRSBDPSA-N	313.397	3.364	10	20	DGCD	
CNCCCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	121618738	MOCAUGJTJFBXIT-UHFFFAOYSA-N	319.836	3.087	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2cccnc2)c1O	181641916	HSPXRRRCGINQOM-JTQLQIEISA-N	304.777	3.494	10	20	DGCD	
Cn1ccnc1C[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	182090181	KRFNRGDKDVQHRG-CYBMUJFWSA-N	319.836	3.234	10	20	DGCD	
Cc1cc(F)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1	137438281	AJXICPHLOAMFHH-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(N(C)C)cc1	93360038	XMCZHKVGUFZCJW-CQSZACIVSA-N	321.465	3.098	10	20	DGCD	
CC(C)CONC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	269695286	IJEDNGCZCYGOAZ-UHFFFAOYSA-N	305.422	3.014	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCS3)cc2)CC1	266446740	NCEPUEFTSXOUIK-KRWDZBQOSA-N	318.486	3.435	10	20	DGCD	
C[C@H]1C(=O)CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1(C)C	275565380	WUTSIRSRIGDCHL-XJKSGUPXSA-N	316.445	3.010	10	20	DGCD	
Cc1n[nH]cc1CN[C@H](C)c1ccc(Br)cc1O	273539488	XYRJDTLQTLFTTE-SECBINFHSA-N	310.195	3.037	10	20	DGCD	
CNC(=O)CCN(Cc1ccccc1O)[C@@H](C)c1ccccc1	272093663	YLUFUWXVFINDCW-HNNXBMFYSA-N	312.413	3.092	10	20	DGCD	
C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1O	276928840	NURWIFYTHCLBSE-JTQLQIEISA-N	322.311	3.472	10	20	DGCD	
CCN(C(=O)/C=C/c1ccn(C)c1)c1ccc(OC)c(OC)c1	277137315	UWUYIISHHAIZJD-RMKNXTFCSA-N	314.385	3.109	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1O	373472896	GOLKYWPVOXPCJH-BMIGLBTASA-N	311.809	3.054	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)Cc1cnnn1C	289372472	OMJYGDRGFOYMBI-HNNXBMFYSA-N	322.412	3.284	10	20	DGCD	
CCOc1ccc(CNCCC2C[C@H](C)O[C@@H](C)C2)c(O)c1	801732787	WYDJULALHVTQLO-KBPBESRZSA-N	307.434	3.474	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCC2(C(N)=O)CCCC2)c1O	808695530	ITDJDTNLMFMTFW-LLVKDONJSA-N	310.825	3.050	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@H](C)c1cc(Cl)cc(C)c1O	808712018	YYHPTVFVDNUIRR-LLVKDONJSA-N	312.841	3.167	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](c2cccnc2)C(C)(C)CO)cc1C	816637569	IALAZRRXCSSYKB-SFHVURJKSA-N	314.429	3.253	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccsc2C)cc1	816568085	WBGBNGBIEWSFCY-UHFFFAOYSA-N	305.399	3.245	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccc(C)c(C)c1O	815633513	PVHRBJUOLKXDHT-UKRRQHHQSA-N	306.450	3.212	10	20	DGCD	
COc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2C(C)=O)c1	811805948	GAKKRLDQLIQUDT-UHFFFAOYSA-N	316.313	3.124	10	20	DGCD	
Cc1nc([C@H]2CCCN(Cc3ccc4ccccc4c3O)C2)n[nH]1	816521730	XOGZGPCXOPFEQX-INIZCTEOSA-N	322.412	3.352	10	20	DGCD	
OC[C@]1(CNCc2cc(Cl)ccc2O)C[C@@H]1c1ccccc1	810164197	AWWZKGPSBCIZAI-SJLPKXTDSA-N	317.816	3.301	10	20	DGCD	
C[C@]1(CNCc2cc(Cl)c(F)cc2O)CCO[C@@H]1C1CC1	816570774	HDYWWVKFYIQLJU-HZPDHXFCSA-N	313.800	3.480	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1C[C@H](C2CC2)[C@@H]1C1CC1	824940915	FQKSRBFYTKDPEL-UXHICEINSA-N	312.457	3.144	10	20	DGCD	
COc1cc(CN[C@@H](C)c2nc(C)no2)c(O)c(C(C)(C)C)c1	825680030	BBCIRZVNRVJXBK-JTQLQIEISA-N	319.405	3.241	10	20	DGCD	
CC[C@@H](Nc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1	726374261	CRBAKHJHZJPXSB-GOSISDBHSA-N	311.429	3.260	10	20	DGCD	
CC(C)Nc1ccccc1NCc1nc(COC(C)C)no1	901432074	FCXYTTYONMLYQA-UHFFFAOYSA-N	304.394	3.427	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C2CC2)[C@H](CO)C2CC2)cc1Cl	826064462	KMMAMCOUSUKZLR-PBHICJAKSA-N	309.837	3.241	10	20	DGCD	
CSc1ccc(C(=O)COC(=O)c2cc(O)cs2)cc1	731912207	QNVJSVPSBOMOFT-UHFFFAOYSA-N	308.380	3.215	10	20	DGCD	
C[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1cc(Cl)ccc1O	834828550	VNSBKQATIJQIPM-IAQYHMDHSA-N	323.795	3.439	10	20	DGCD	
CCN(CC)c1ccc(CNCCc2cnc(C)cn2)cc1F	835062829	XWXYBHZDBKZGDF-UHFFFAOYSA-N	316.424	3.103	10	20	DGCD	
CCN(C)c1ccc(CN2CCN(C3CC3)C[C@@H](C)C2)cc1	830087263	CLCFENUCYIKCML-INIZCTEOSA-N	301.478	3.059	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(N3CCOCC3)cc2)cc1	845999660	XGTOOPKFRDSNHU-UHFFFAOYSA-N	312.413	3.168	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1cnn(C)c1	840892555	AXKAGKIAYJKZLB-GJZGRUSLSA-N	300.450	3.076	10	20	DGCD	
c1ccc(-c2noc(COc3ccc(N4CCCC4)cc3)n2)nc1	749789899	DMLXHPGPBAZOLO-UHFFFAOYSA-N	322.368	3.311	10	20	DGCD	
CCNC(=O)c1cccc(N[C@H](C)c2cccc(OC)c2O)c1	846159995	OWPKPSOWXHJEIZ-GFCCVEGCSA-N	314.385	3.324	10	20	DGCD	
CCc1ccc(NC(=O)CN2CCCc3cc(CN)ccc32)cc1	843349860	KSGNNHFTHYDGNI-UHFFFAOYSA-N	323.440	3.099	10	20	DGCD	
CCc1cccc(CN2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)c1O	848887874	GXJQCMCYTUKYBP-ZWKOTPCHSA-N	318.461	3.176	10	20	DGCD	
CCOc1ccc(CN[C@H](CCO)c2ccccc2F)c(O)c1	842763582	OGCYVDSTVCNGLL-QGZVFWFLSA-N	319.376	3.143	10	20	DGCD	
CCc1cccc(CNc2cccc(-c3nnnn3CC)c2)c1O	848891705	YKTUKGYPIKHTMB-UHFFFAOYSA-N	323.400	3.240	10	20	DGCD	
CC[C@@H](C[C@@H](C)CO)NCc1cccc(Br)c1O	743499198	JJMGGZFPIOEQIX-PWSUYJOCSA-N	316.239	3.041	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCc3ccccc3NC2=O)cc1C	848560713	JXBRKAWUGDIIJO-KRWDZBQOSA-N	310.397	3.052	10	20	DGCD	
C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1ccc(N)cc1	843495272	QDJCZNJKMWVYIN-STQMWFEESA-N	312.388	3.485	10	20	DGCD	
Cc1cc(O)c(CNCCc2nc3c(s2)CCC3)cc1C	922713957	BAYKUBLLCJWIRM-UHFFFAOYSA-N	302.443	3.287	10	20	DGCD	
CO[C@](C)(C1CC1)[C@H](C)NCc1cc(Cl)c(F)cc1O	840961317	VBLOALCKTZHCMD-VFZGTOFNSA-N	301.789	3.478	10	20	DGCD	
CC[C@H](C)[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841953947	GNLCUBVGAVXSMD-WMLDXEAASA-N	303.450	3.422	10	20	DGCD	
COc1cccc([C@H](C)NCC[C@H](C)N2CCCCC2)c1O	846166097	SENLVUPPUOGSDF-GJZGRUSLSA-N	306.450	3.316	10	20	DGCD	
CC[C@@H](NCC[C@@]1(O)CCCOC1)c1cccc(Cl)c1O	846210886	CWNBCNLBBPQUAF-ZBFHGGJFSA-N	313.825	3.018	10	20	DGCD	
CCOCCOCCN[C@H](CC)c1cccc(Cl)c1O	927087228	OVHQWMIZNNPISX-CQSZACIVSA-N	301.814	3.139	10	20	DGCD	
CC[C@H](C)CSCC(=O)N(C)Cc1ccc(N(C)C)cc1	840198088	KQXJGEMXZHQHNS-AWEZNQCLSA-N	308.491	3.490	10	20	DGCD	
C[C@H]1[C@@H](c2ccccc2)CCN1Cc1cc2c(cc1O)OCO2	751605002	NTJJEGMGRFCIRP-BBRMVZONSA-N	311.381	3.499	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNC1CC2(CCCC2)C1	924753243	YHTPEHQJRNNSCJ-UHFFFAOYSA-N	300.446	3.336	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@@H]2CCOC3(CCC3)C2)cc1F	858173084	QGLBWPIPOMIHSR-CYBMUJFWSA-N	324.415	3.470	10	20	DGCD	
C[C@H](NCc1cccc2c1OCC2)c1cc(F)cc(F)c1O	927089523	CMWOXBHJVGRYHP-JTQLQIEISA-N	305.324	3.456	10	20	DGCD	
CO[C@@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	752474338	UWGJJWFPISRTQX-CYBMUJFWSA-N	304.415	3.017	10	20	DGCD	
C[C@H]1C[C@@H](NCCNC(=O)OC(C)(C)C)c2c(O)ccc(F)c21	756517952	RIRWOGJETOWBCE-CMPLNLGQSA-N	324.396	3.194	10	20	DGCD	
C[C@H](NCC1(O)CCCC1)c1cc(Br)ccc1O	756575934	RJKADMDBHUQCJL-JTQLQIEISA-N	314.223	3.110	10	20	DGCD	
O=C(O)C[C@@H](NCc1cc(Cl)cc(Cl)c1O)C1CC1	756386012	GNSDPQARLYBIMC-LLVKDONJSA-N	304.173	3.042	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1CCSCC1	935948481	NDUBCYRDRXHMKU-UHFFFAOYSA-N	314.447	3.027	10	20	DGCD	
CN(C)c1ccc(/C=C\CN(CC(=O)O)CC(C)(C)C)cc1	854244086	PAUPLXHHPGJJMK-SREVYHEPSA-N	304.434	3.199	10	20	DGCD	
CC[C@H](OC1CCCCC1)C(=O)NCc1cc(C)ccc1O	862757760	DIDGUIDATPQFFF-KRWDZBQOSA-N	305.418	3.445	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCOc2cccc(C)c2C)c1	862759545	HEWHLGIHJXHHOL-UHFFFAOYSA-N	313.397	3.403	10	20	DGCD	
CC1CC(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	768226000	XPTBWPYWRIPDLK-DSSZZKGTSA-N	308.853	3.398	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C)(F)CC1	875301221	OYZYIEXXIBDMQI-UHFFFAOYSA-N	307.413	3.095	10	20	DGCD	
Cc1cc(O)c(CN2CCCN(C(=O)CC(C)C)CC2)cc1C	877775207	VLOIFRBIEHIZSH-UHFFFAOYSA-N	318.461	3.089	10	20	DGCD	
CC(C)(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(F)(F)F	779525778	RTDMYVMNBMFVTN-VGVVRCBHSA-N	317.307	3.204	10	20	DGCD	
CCCC(=O)N1CC[C@@H]([C@@H](C)NCc2ccc(OC)c(C)c2)C1	1047680956	NZWCYMMKJXMVSN-NVXWUHKLSA-N	318.461	3.130	10	20	DGCD	
C[C@H]1CCC[C@@H]1CNCc1ccc(N2CCC(O)CC2)cc1	877501192	MPZGSZZWERLCGF-DOTOQJQBSA-N	302.462	3.174	10	20	DGCD	
CCCC1(CNCc2ccc([N+](=O)[O-])c(OC)c2O)CCC1	775034090	QPWRBSJSLUDQOH-UHFFFAOYSA-N	308.378	3.369	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@@H]2CCC[C@H]2C)cc1C	1127929606	UUTLLKMRQBSSAD-PBHICJAKSA-N	318.461	3.036	10	20	DGCD	
COC(=O)[C@@H](NCc1cc(Cl)ccc1O)c1cccs1	789571185	IZYMIYVYKCUWAT-ZDUSSCGKSA-N	311.790	3.111	10	20	DGCD	
COc1ccc2c(c1)CCN(Cc1ccc(N(C)C)cc1)CC2	784679222	HJXPAORZEIGOPD-UHFFFAOYSA-N	310.441	3.362	10	20	DGCD	
COc1cc(C)cc(CNc2ccc([S@](C)=O)c(F)c2)c1O	894132156	URKWSLGZROILMX-QFIPXVFZSA-N	323.389	3.198	10	20	DGCD	
COc1ccc(CN2CC[C@H](C3CCCC3)C2)c(O)c1OC	894972830	GGVMUXJVKCHGFN-AWEZNQCLSA-N	305.418	3.422	10	20	DGCD	
CCCO[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2O)CC1	892008759	VKWWNLUMFRGEJO-OAHLLOKOSA-N	323.433	3.191	10	20	DGCD	
CO[C@H]1CCC[C@H](NCc2cccc(Br)c2O)C1	746756596	UVWZBMSDXILOKQ-RYUDHWBXSA-N	314.223	3.202	10	20	DGCD	
Cc1ccc2nc(CNCCCSc3nccs3)cn2c1	790544819	RQYXNDWHKCRIAM-UHFFFAOYSA-N	318.471	3.371	10	20	DGCD	
CC(C)CCN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1320489288	BLZQXLXMTQPMSE-UHFFFAOYSA-N	307.457	3.055	10	20	DGCD	
COC[C@H](NCc1ccc(N2CCCC2)cc1)c1ccco1	1254184485	OCVHVJGAYSIUBH-KRWDZBQOSA-N	300.402	3.357	10	20	DGCD	
CS[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1	1261962511	XCWBKRXPHIUHJO-JHJVBQTASA-N	308.447	3.427	10	20	DGCD	
C[C@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)c1cncc(F)c1	1604357046	GHJQLPIBJULTOR-UWVGGRQHSA-N	304.321	3.036	10	20	DGCD	
CCc1oc(CN[C@H](C)c2cc(OC)ccc2O)cc1C(=O)O	1605891830	IQJHPZFCZGCCHN-SNVBAGLBSA-N	319.357	3.105	10	20	DGCD	
Oc1ccc(Br)cc1CNC1Cc2ccccc2C1	231032191	UFJMKSVEAXOYCR-UHFFFAOYSA-N	318.214	3.412	10	20	DGCD	
CCC(CC)(CC(=O)O)NCc1c(O)ccc(Cl)c1F	1595057363	QWRMTMDKODYNPR-UHFFFAOYSA-N	303.761	3.308	10	20	DGCD	
CC(C)Cc1ccc(CC(=O)NCCc2ccc(N)cc2)cc1	152538260	MAHPGMLQUBWDCV-UHFFFAOYSA-N	310.441	3.369	10	20	DGCD	
C[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(N2CCOCC2)cc1	155670699	MVAABIRFKNRANE-NEPXVJNWSA-N	312.457	3.386	10	20	DGCD	
Cc1cccc(CN[C@@]2(C)CCN(Cc3ccccc3)C2)c1O	406151550	WFRFEAQHYKMROH-FQEVSTJZSA-N	310.441	3.455	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(Br)cc2O)[C@H](C)CO1	701194743	WJGYQVMVLJUBST-ZWNOBZJWSA-N	314.223	3.154	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1	7910097	LOALSPRWRQNZAO-UHFFFAOYSA-N	302.805	3.265	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1csc(-c2ccoc2)n1	108448062	CTEWIDZKLHNBLC-UHFFFAOYSA-N	314.366	3.381	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@@H]1CCOC1	177348930	GUPJOQKICFKLTE-AWEZNQCLSA-N	318.442	3.264	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2c[nH]c3cc(C)ccc23)c1	114544406	GOWHJWSXMFILAD-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](SC)c2ccccc2)c1O	172403700	VMKUYVNIYUYNHN-INIZCTEOSA-N	317.410	3.121	10	20	DGCD	
CN(C[C@H]1CC=CCC1)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	402747175	ULJZJWSUQUKIOK-GDAGCXPBSA-N	316.357	3.485	10	20	DGCD	
CC[S@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2cc(C)ccc2O)C1	185657372	UWXNLBUGRIUJOJ-ZYKFEASCSA-N	309.475	3.431	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cnn(C(C)C)c2)cc1	189945381	STTZZIPQCNZUQK-UHFFFAOYSA-N	314.433	3.240	10	20	DGCD	
CCS[C@@H](C)c1noc(CN(C)c2ccc3c(c2)OCO3)n1	121411606	HANOJXRTRBUKDL-JTQLQIEISA-N	321.402	3.249	10	20	DGCD	
COc1ccc(N2CCC(NCc3ncc(C)s3)CC2)cc1	122933948	FLPPLZCGLNURER-UHFFFAOYSA-N	317.458	3.219	10	20	DGCD	
C[C@H](NCC(C)(C)C(N)=O)c1ccc(N2CCCCCC2)cc1	183201342	SVULTIOTHDZVMR-HNNXBMFYSA-N	317.477	3.229	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc3ncccc3c2)cc1F	123657119	BAFKQMMFGCUJLF-UHFFFAOYSA-N	323.371	3.370	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCO[C@]3(CCSC3)C2)c(O)c1	186136672	YHTOZPGJOFFGBG-JJRVBVJISA-N	307.459	3.406	10	20	DGCD	
Cc1ccc(C)c(OCCC(=O)N(C)Cc2ccccc2O)c1	136945266	ONVFJQOIVSDUNO-UHFFFAOYSA-N	313.397	3.437	10	20	DGCD	
C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1O	185674302	VDCSXADDZVQGKQ-YKJXYISPSA-N	303.789	3.355	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cn1cnc2ccccc21	269160429	OEWFPJHOTXZOAZ-UHFFFAOYSA-N	323.396	3.181	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc([S@](C)=O)cc1	268896278	ZDTQKOQIELWCMB-DMZKTXOQSA-N	315.438	3.210	10	20	DGCD	
COc1ccc(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1	363522535	IWAWSXYYOYCTFR-UHFFFAOYSA-N	324.424	3.226	10	20	DGCD	
Cc1noc(C(C)(C)NCc2cc(Cl)cc(Cl)c2O)n1	284073260	QOANFHIUMBHQCB-UHFFFAOYSA-N	316.188	3.415	10	20	DGCD	
CC[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1O	286337737	YRAWWVKVDLVCAA-UKRRQHHQSA-N	309.381	3.258	10	20	DGCD	
C[C@@](O)(CN[C@H]1CCc2cccc(O)c21)c1ccc(F)cc1	296877231	OBRHNVPBDITBLP-MAUKXSAKSA-N	301.361	3.016	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)C(C)C	296446419	MOKYPKUYWZRDCU-NHYWBVRUSA-N	312.841	3.199	10	20	DGCD	
COc1ccccc1O[C@H](C)CN[C@@H]1CCc2cccc(O)c21	297794789	QBWDNFVCKAGABT-UKRRQHHQSA-N	313.397	3.445	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCOCC(F)(F)C3)c2c1	808234727	ODRKHSUOCTVSRI-UHFFFAOYSA-N	323.339	3.022	10	20	DGCD	
CSCCCCNC(=O)NCc1c(C)c2ccccc2n1C	471901356	SKHNLKPCOPBZNF-UHFFFAOYSA-N	319.474	3.429	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCO[C@H](C(C)C)C2)c1O	294000011	MFTFESBTZIPAJC-HNNXBMFYSA-N	313.825	3.301	10	20	DGCD	
COc1cccc(O)c1CN1Cc2cnn(-c3ccccc3)c2C1	816667997	BTNURAXDZUCKGH-UHFFFAOYSA-N	321.380	3.102	10	20	DGCD	
CC1(C)CCc2sc(NC(=O)c3cccc(O)c3O)nc21	817628918	DIXPTKNJNOFTEE-UHFFFAOYSA-N	304.371	3.030	10	20	DGCD	
C[C@@H]1CC[C@@H](C(=O)O)CN1Cc1ccc(N2CCCCC2)cc1	817881454	TZDDHBDMMOUCED-NVXWUHKLSA-N	316.445	3.362	10	20	DGCD	
CCCN(CCC)CCCNC(=O)N(C)Cc1ccccc1O	728131718	VUJCCRYQHCRBHE-UHFFFAOYSA-N	321.465	3.046	10	20	DGCD	
CC[C@H]1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1	819169162	XSNRUQAZCLSYIF-DZGCQCFKSA-N	316.401	3.125	10	20	DGCD	
C1=C[C@H]2O[C@H]1[C@H]1CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]21	824839178	VYSJFWFAVAOTLR-VNTMZGSJSA-N	310.441	3.062	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCCN1c1ccccc1)c1ccccc1O	827946454	IKGMAFDYQRZBKU-RHSMWYFYSA-N	310.397	3.238	10	20	DGCD	
C[C@H]1C[C@H]1c1ccc(CNCc2cc3c(cc2O)OCO3)o1	725846641	JYQFXKKEDPUDRS-GXFFZTMASA-N	301.342	3.127	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN[C@H]1CCc2n[nH]cc2C1	736647046	CHAVKCYVEJZIEO-SFHVURJKSA-N	319.408	3.429	10	20	DGCD	
CC[C@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(F)cc1O	903063015	AXTIGQCOPZPVFJ-DZGCQCFKSA-N	306.385	3.098	10	20	DGCD	
Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1N(C)C	588404510	VUMGPVQPZIXOJI-UITAMQMPSA-N	312.369	3.124	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C3(C)CCCC3)CC2)cc1	730968604	NSSIFLZKTMHJKJ-UHFFFAOYSA-N	316.445	3.361	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2cc(Cl)ccc2O)[C@H]1SC	846055787	NTWNHZIEDBZFKJ-IACUBPJLSA-N	301.839	3.044	10	20	DGCD	
Cc1noc(C(F)F)c1C(=O)N(C)Cc1ccc(N(C)C)cc1	746104890	HWGYCRXQHQTDLG-UHFFFAOYSA-N	323.343	3.259	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H]1NCCc2ccccc21	841069472	XHBSSUAZJCSNPO-INIZCTEOSA-N	320.795	3.161	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H]2C[C@H]21	840483880	LXIQYNHCUMBCNT-QILLFSRXSA-N	315.461	3.186	10	20	DGCD	
Cc1ccc(CN(C[C@@H](C)N)c2ccc3c(c2)OCCO3)s1	843357225	DAZDANOBUTZTON-GFCCVEGCSA-N	318.442	3.182	10	20	DGCD	
COCC[C@H](NCc1ccc2c(c1)CCCO2)c1ccco1	921981278	SLLZJLYWWQQWFX-INIZCTEOSA-N	301.386	3.472	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C	858827081	VFOGPUOEVNCGNV-KRXQYRFLSA-N	318.461	3.161	10	20	DGCD	
Cc1nn(C)c(C)c1CN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	756513613	OQNGAEBPJKOKAZ-XPTSAGLGSA-N	303.381	3.220	10	20	DGCD	
C[C@H](NC[C@@H](O)COc1ccccc1)c1cc(Cl)ccc1O	756396758	JZTLUIIYICIXTO-GXTWGEPZSA-N	321.804	3.136	10	20	DGCD	
COc1cccc(C(C)(C)CNC(=O)c2cc(O)cs2)c1	750539021	QPGCYZSEANTMCE-UHFFFAOYSA-N	305.399	3.170	10	20	DGCD	
Cc1ccc([C@@H](C)NC(=O)c2cc(O)cs2)cc1[N+](=O)[O-]	752816287	RZBDNMPLRMTJJP-SECBINFHSA-N	306.343	3.161	10	20	DGCD	
COc1cc(CNC[C@H](C)C[C@@H](C)O)c(O)c(C(C)(C)C)c1	850153122	AJWPYVDRQUSLLA-CHWSQXEVSA-N	309.450	3.195	10	20	DGCD	
CCc1ccc(CNC(=O)NCc2cc(C)ccc2O)s1	858141194	MKEJCBJEYIYSDL-UHFFFAOYSA-N	304.415	3.324	10	20	DGCD	
Cc1cc(CNC[C@@H](O)c2ccccn2)c(C)n1-c1ccccc1	863583544	ZIKGCQWXJNCMEC-HXUWFJFHSA-N	321.424	3.312	10	20	DGCD	
CC(=O)Nc1cccc(/C=C2/SC(=S)N(C3CC3)C2=O)c1	864354707	ACIFIIWFMQUFRW-MDWZMJQESA-N	318.423	3.009	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1nn(C)cc1Cl	861562017	RGWPITHJQRTEMA-UHFFFAOYSA-N	321.808	3.222	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2noc3c2CCCC3)cc1F	1118860279	LKEMWGSHRZRTJS-UHFFFAOYSA-N	321.371	3.187	10	20	DGCD	
Cc1ccoc1CN(C)Cc1ccc(N2CCC(O)CC2)cc1	877546968	YZMWKPUFZGHENV-UHFFFAOYSA-N	314.429	3.181	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](CO)Cc2ccco2)cc1	768842037	OPNNRHIKWRAEAF-QGZVFWFLSA-N	316.445	3.067	10	20	DGCD	
CC1(C)CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876619402	WTZOVKJOERPVGX-UHFFFAOYSA-N	302.462	3.270	10	20	DGCD	
CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccccc2O)C1	770510861	SMZAGWLNYOBQQI-CQSZACIVSA-N	320.433	3.129	10	20	DGCD	
C[C@H]1OCC[C@@H]1CN(Cc1ccco1)Cc1ccccc1O	878240775	KUELRRIMHBBOSV-HUUCEWRRSA-N	301.386	3.412	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2ccccc2n1	779499940	JGVGFKJFDUIWHH-POHAHGRESA-N	306.321	3.298	10	20	DGCD	
C[C@@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(N(C)C)cc1	773152513	XSJARLLJVUICCP-ZIAGYGMSSA-N	312.417	3.269	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H]1OC	1120734544	MENFJPANSZQPIL-RDJZCZTQSA-N	305.418	3.336	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NCCC(F)F)C2CC2)cc1	1123737054	MVIWBSCVMZPFHV-UHFFFAOYSA-N	311.376	3.082	10	20	DGCD	
CCCCN(CCOC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776244116	FIBWNDRZMNAJOK-HNNXBMFYSA-N	321.465	3.272	10	20	DGCD	
CC(=O)Nc1ccc(CCN[C@@H](C)c2c(O)cccc2F)cc1	886522433	JCTWCCISTTXHSY-LBPRGKRZSA-N	316.376	3.383	10	20	DGCD	
Cc1cccc(NCCNCc2cc(Cl)cc(F)c2O)n1	777483260	KLYFRXJUIIOJKP-UHFFFAOYSA-N	309.772	3.090	10	20	DGCD	
CC[C@@H](CC(F)(F)F)NCc1ccc(OC)c(OC)c1O	893591840	HYWALUFPRGODDU-JTQLQIEISA-N	307.312	3.230	10	20	DGCD	
OCCc1ccc(CNCc2c(O)ccc(Cl)c2F)cc1	898171056	PMFLAEDRRCBKEQ-UHFFFAOYSA-N	309.768	3.009	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@]3(CCN(C)C3)C2)cc1C(C)C	793743192	HTTUDJNKGCXELA-LJQANCHMSA-N	302.462	3.352	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCOc1cccc(F)c1	790952469	HDFMJCDQQBGUJQ-UHFFFAOYSA-N	313.731	3.492	10	20	DGCD	
CO[C@H]1C[C@H](NCc2ccc(Br)cc2O)C1(C)C	691476967	OYSOHHUTDYVLSX-STQMWFEESA-N	314.223	3.058	10	20	DGCD	
CN(C)c1ccc(CN(C(=S)NCC2CCC2)C2CC2)cc1	1318378549	CCHQSDRBWZTOIR-UHFFFAOYSA-N	317.502	3.392	10	20	DGCD	
O=C(O)C1(CCCCNCc2cc(F)c(F)cc2O)CCC1	1601706995	BJAOHIGYADPLQV-UHFFFAOYSA-N	313.344	3.185	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCCCCCC1CCNCC1	1580888664	UXIQOEUUWRRHLA-UHFFFAOYSA-N	312.404	3.320	10	20	DGCD	
Cc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cn1	161932555	MCXGNONUOWDLLF-UHFFFAOYSA-N	310.401	3.094	10	20	DGCD	
C[C@@H]1CCc2sc(C(=O)NCc3ccc(O)c(O)c3)cc2C1	158942733	DVCCVLBWMCIVEM-SNVBAGLBSA-N	317.410	3.214	10	20	DGCD	
Nc1ccc(NC(=O)COc2cccc(Br)c2)cc1	22169137	NVXCYNXCKPUUSI-UHFFFAOYSA-N	321.174	3.049	10	20	DGCD	
CN1CC[C@H]2[C@H](CCCN2Cc2c(O)ccc3ccccc23)C1	129226905	AKRPREMIDIUEGI-APWZRJJASA-N	310.441	3.462	10	20	DGCD	
CCN(Cc1c(F)cccc1F)C(=O)c1cccc(O)c1O	187059919	VFCQJNBGRNFGHF-UHFFFAOYSA-N	307.296	3.038	10	20	DGCD	
C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	124834545	DXZLOSPUMDRPRB-MAUKXSAKSA-N	313.445	3.441	10	20	DGCD	
COc1ccc(N2CCCN(C[C@@H]3CCC(C)(C)O3)CC2)cc1	184665771	JNUDZTVBXWZMTJ-SFHVURJKSA-N	318.461	3.165	10	20	DGCD	
Cc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1F	316875456	QLXUYVXMLHCGTB-UHFFFAOYSA-N	300.377	3.472	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(-n3cccn3)cc2)c1	182894878	RLEIBRAQDQNPOS-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
CCN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCCO1	194009752	GGVRGWUUJIASCV-OAHLLOKOSA-N	307.434	3.396	10	20	DGCD	
COc1cc(N(C)CCOCCC(C)C)cc(OC)c1OC	131060844	VNXLBOVDACPGAC-UHFFFAOYSA-N	311.422	3.211	10	20	DGCD	
Nc1ccc(CC(=O)N2CCSC[C@@H]2c2ccccc2)cc1	237884529	XADOBMBLJPDCRR-QGZVFWFLSA-N	312.438	3.128	10	20	DGCD	
CCOc1ccc2c(c1)CN(Cc1cccc(OC)c1O)CC2	92666597	GOEOWPOQIYLXPK-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
CCOC[C@@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)CCO1	530105983	JZYCMNUBHONWJN-INIZCTEOSA-N	321.461	3.235	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1	273343755	AFIGOOHEDGDIKT-WDEREUQCSA-N	304.394	3.054	10	20	DGCD	
C[C@H](NCC1=CCN(C)CC1)c1cc2c(cc1O)CCCC2	273540851	YEEQBFZEOOFPII-AWEZNQCLSA-N	300.446	3.184	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](CO)Cc2ccc(F)cc2)c1	273449165	FONMVEDPLFZMCT-CZUORRHYSA-N	303.377	3.094	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NC[C@@H](C)CCO)c1O	275346221	PSMOSFVAZFJOGW-GXSJLCMTSA-N	316.239	3.132	10	20	DGCD	
CCOc1cccc(CN2CC(COc3ccccc3)C2)c1O	297506779	WUIDGCKUCFCUJQ-UHFFFAOYSA-N	313.397	3.302	10	20	DGCD	
COC(=O)c1cnc(S[C@@H](C)c2nc(C3CC3)no2)s1	295360899	RMGKDTCIWXNIRS-LURJTMIESA-N	311.388	3.043	10	20	DGCD	
CCn1ccnc1CNC(=O)c1cc(C)n(-c2ccccc2)c1C	295727503	LELJLVHXZKWANQ-UHFFFAOYSA-N	322.412	3.241	10	20	DGCD	
CCOC(=O)c1cc(NCc2ccc(N(C)C)c(F)c2)cn1C	809756144	QCJXRAUAKBPGSX-UHFFFAOYSA-N	319.380	3.019	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1cccc(C(N)=O)c1	390293176	IMFLVYZADIMMAV-IUODEOHRSA-N	310.397	3.138	10	20	DGCD	
CCc1csc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	801200372	KTTROOQYNZLEHK-LBPRGKRZSA-N	317.458	3.191	10	20	DGCD	
Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c(O)c1O	293921881	NECSTDHILGOTOR-MRXNPFEDSA-N	312.369	3.025	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H]2CCn3ccnc3C2)c1O	808715533	VLILYIHOQWRABP-YPMHNXCESA-N	305.809	3.216	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1Cl	808094947	KZXUGGJPVDJJAN-UHFFFAOYSA-N	310.777	3.461	10	20	DGCD	
CC/C(C)=C(/C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819586337	NPLAGBOCSVNPTA-YARYAAFXSA-N	316.445	3.384	10	20	DGCD	
Oc1ccc2c(c1CNc1nccc(N3CCCC3)n1)CCCC2	811808672	NXTRMBQGDTWOOA-UHFFFAOYSA-N	324.428	3.273	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/[C@H]1CCOC1	822653011	WPFMLFJJDBRBTH-JEJOPICUSA-N	316.445	3.082	10	20	DGCD	
c1cc([C@H]2C[C@@H](NCc3ccc4c(c3)CCO4)CCO2)ccn1	824948269	QBORXCSUZYSEEH-PKOBYXMFSA-N	310.397	3.026	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)Cc1ccco1	734522109	WXPFKPOIPYHFJD-CQSZACIVSA-N	315.417	3.084	10	20	DGCD	
C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1O	834908885	MQDWHOMKZQMYPQ-XLKFXECMSA-N	317.216	3.018	10	20	DGCD	
CC[C@@H](NC(=O)NCc1cccc(OC)c1O)C1CCCC1	838706270	YEXKCFWPOUYHFF-CQSZACIVSA-N	306.406	3.169	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NC[C@@H]2CC2(C)C)C2CC2)cc1	732893085	OMQBYPYUXJBSEP-HNNXBMFYSA-N	315.461	3.473	10	20	DGCD	
COc1c(C)ccc(NC(=O)NCc2ccccc2O)c1C	748445044	ZEZQYEMKWMCPPI-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@@H]1[C@H]1CCCOC1	842620158	ZNRNMBXZFRIOEO-MAUKXSAKSA-N	312.413	3.331	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H](C)[C@H]1C	841580986	KAWSEXQXBLYZPB-OWCLPIDISA-N	315.461	3.473	10	20	DGCD	
CCOc1cccc(CNCCNC2CCCCCC2)c1O	841028080	LGHVVIXMBGDUSD-UHFFFAOYSA-N	306.450	3.193	10	20	DGCD	
CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(O)cs1	746410314	ZTKLWTMIMYUQDA-UHFFFAOYSA-N	322.333	3.201	10	20	DGCD	
CCC[C@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCO1	846472949	GYBKROWZLLHXRU-RISCZKNCSA-N	311.809	3.257	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2CCO[C@]3(CCSC3)C2)c1O	846155106	DQOZCCGRYYLTMZ-OGHNNQOOSA-N	323.458	3.106	10	20	DGCD	
CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1O	840889232	FRMJOAALPSYFBA-DTWKUNHWSA-N	319.232	3.263	10	20	DGCD	
CC(C)Oc1ncccc1CNCc1ccc2c(c1)CCCO2	921535499	CEDCCOKWAMYDNI-UHFFFAOYSA-N	312.413	3.484	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1CC(F)F)c1ccc(N(C)C)cc1	858478900	DQAFGZJNIUFDBY-CZUORRHYSA-N	311.420	3.133	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@H](C)c1cc(Cl)ccc1O	756710076	ABGHMLAIBZTLQW-ABAIWWIYSA-N	321.804	3.438	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccccc2CO)c2c(O)ccc(F)c21	756459508	ORKDJHMXMWKENR-NHYWBVRUSA-N	301.361	3.362	10	20	DGCD	
C[C@@H](Cn1cccn1)N[C@H](C)c1ccc(Br)cc1O	756671262	FXZAPFUSBOUYFN-WDEREUQCSA-N	324.222	3.091	10	20	DGCD	
Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])s1	853473028	JRSBVSJGWMSTGC-MRVPVSSYSA-N	308.359	3.419	10	20	DGCD	
CCOc1ccc(CN[C@@]2(C)CCCC[C@H]2C(=O)OC)c(O)c1	757801866	YBUKBGBATNJDPH-YJBOKZPZSA-N	321.417	3.002	10	20	DGCD	
Cn1ncc(C2CC2)c1CNCCCSc1nccs1	850143119	CSISUUXKIXWBIN-UHFFFAOYSA-N	308.476	3.026	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccccc2F)c1	862759622	HIZDEXOYTYTGQZ-CYBMUJFWSA-N	301.361	3.335	10	20	DGCD	
CCOc1ccc(CN2CCc3ccc(O)cc3CC2)c(O)c1	769191866	QZLHVJBIFBTIOM-UHFFFAOYSA-N	313.397	3.097	10	20	DGCD	
COc1cccc2c1CN(Cc1ccc(N(C)C)c(F)c1)C2	862528986	GIHLKZUJKLIQRR-UHFFFAOYSA-N	300.377	3.416	10	20	DGCD	
NC[C@H]1CN(Cc2cccc(Cl)c2O)CC[C@H]1C(F)(F)F	863645980	OZHJDYCLPVBECJ-WDEREUQCSA-N	322.758	3.005	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(OC(C)=O)cc2)cc1OC	762627281	AUOWTZBPLRYPKI-UHFFFAOYSA-N	315.369	3.266	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C(C)=C(C)C)CC2)cc1	1116419418	JCHRQCHETYMRGJ-UHFFFAOYSA-N	302.418	3.090	10	20	DGCD	
CC[C@H]1CCCCN1Cc1ccc(N2CCC(O)CC2)cc1	876523975	HQHQHFJIOQUPBR-KRWDZBQOSA-N	302.462	3.412	10	20	DGCD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)o1	778926727	FNODIFLCHMZMQY-SMDDNHRTSA-N	315.369	3.063	10	20	DGCD	
CCNc1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)s1	881440553	FZMDQEJYSWFDIE-SECBINFHSA-N	305.403	3.080	10	20	DGCD	
O=C(NCC1(c2cccc(Cl)c2)CC1)c1cccc(O)c1O	776659678	CLBLHCGQVGYCPO-UHFFFAOYSA-N	317.772	3.213	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(F)c1Cl	789996909	WOQKILHIRPWHQP-UHFFFAOYSA-N	309.724	3.129	10	20	DGCD	
C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1	780296708	CFJIBJHGIJKCFJ-GOEBONIOSA-N	301.434	3.275	10	20	DGCD	
COCC[C@H](Cc1ccco1)NCc1cc(C)cc(OC)c1O	894443761	DHZXQCRDQDWIQN-OAHLLOKOSA-N	319.401	3.040	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CCCSc3ccc(F)cc32)cn1	787986349	BTUAICSDBJZXDB-ZZXKWVIFSA-N	317.389	3.101	10	20	DGCD	
COc1cc(C)cc(CNc2cccc(CN(C)C)c2)c1O	894102067	HTTNVQSQUMABQT-UHFFFAOYSA-N	300.402	3.383	10	20	DGCD	
CCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccc(OC)c(C)c1	1133508832	PQDLPONMYCZPIO-GJZGRUSLSA-N	306.450	3.177	10	20	DGCD	
CO[C@@H]1CCOc2c(NC(=O)c3cc(O)cs3)cccc21	791096711	MBPLEODSRNFNMJ-GFCCVEGCSA-N	305.355	3.176	10	20	DGCD	
COc1ccc(CNC(=S)Nc2ccccc2F)c(O)c1	795031740	NCISIIZACZOEPD-UHFFFAOYSA-N	306.362	3.027	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(C)nc3ccccc23)c(O)c1	794386863	DCAFWUAGQYWJAJ-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
CCc1ccnc(CNC(=S)Nc2ccccc2OC)c1	797793257	OGTHGZQZKXIYAM-UHFFFAOYSA-N	301.415	3.139	10	20	DGCD	
O=C(Nc1cccc(CN2CCCC2)c1)c1cc(O)cs1	1328492313	RPQCDFZHRZISJT-UHFFFAOYSA-N	302.399	3.302	10	20	DGCD	
CC[C@H](NC[C@H](CO)CC1CCOCC1)c1ccc(C)cc1O	1322454774	FKJGBCQFCXLRLC-AEFFLSMTSA-N	321.461	3.167	10	20	DGCD	
O=C(c1ccccc1)c1ccc(O)c(CN2C[C@H]3C=C[C@H]2C3)c1O	1333828114	GDHRDSOCBWCLBM-ZFWWWQNUSA-N	321.376	3.089	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1C[C@]12CCCc1ccccc12	1263894363	CWJLEDJOSMTJES-JXFKEZNVSA-N	323.392	3.008	10	20	DGCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1	1346439489	AENPGBIDYMCUSK-CYBMUJFWSA-N	311.376	3.284	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N)cc2)c2c(C(C)C)noc2n1	1342698640	GYBVCQPTNPIEQL-UHFFFAOYSA-N	324.384	3.167	10	20	DGCD	
Cc1cccc(NC(=O)CSc2ncc(C(=O)O)s2)c1C	1600540101	PRPHTNMIXOQWBI-UHFFFAOYSA-N	322.411	3.189	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccnc1	153021680	GNLGBCHIBSDMMF-OAHLLOKOSA-N	322.412	3.018	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1	179741375	ZXEORONOVQKAMQ-AWEZNQCLSA-N	320.433	3.047	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2nccn2C)c(C)n1-c1ccccc1	61511904	QGGWWIHDOUZIKF-UHFFFAOYSA-N	322.412	3.100	10	20	DGCD	
CC(C)c1oncc1C(=O)NCc1c(O)ccc2c1CCCC2	1351667414	WLPNWSTUCUPNJG-UHFFFAOYSA-N	314.385	3.312	10	20	DGCD	
CC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)Cc2ccccc2C1	181305072	JPNHIXXOGOLMIZ-VQHVLOKHSA-N	323.392	3.032	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](c2ccccc2)C1	180722307	IEFPCAXRDKFKFM-DYLHUKMJSA-N	309.365	3.127	10	20	DGCD	
CCN(CC)[C@@H](CNCc1cc(OC)ccc1O)c1ccco1	181256114	AFELSSTZAVJPBQ-INIZCTEOSA-N	318.417	3.167	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@H](C)OC)cc1F	183463768	NFQSRXVRICWOOD-ZDUSSCGKSA-N	310.413	3.103	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1	46544336	AQZMEVRUHHYXPK-UHFFFAOYSA-N	311.360	3.303	10	20	DGCD	
Nc1ccc(CC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1	238114273	RSVFTUHXNJZYAY-UHFFFAOYSA-N	322.330	3.189	10	20	DGCD	
CN(C)c1ccc(CNC(=O)/C=C\c2ccc(Cl)nc2)cc1	255896377	NLABGIXMGBFCNE-POHAHGRESA-N	315.804	3.131	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2c(C)noc2C)cc1	264123252	XFYHNEMVUOAGOG-UHFFFAOYSA-N	316.405	3.459	10	20	DGCD	
CSC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	264511837	NGAQGEKYVTYIJP-CQSZACIVSA-N	308.491	3.489	10	20	DGCD	
CCN(CC)c1ccc(CNC(C)(C)c2noc(C)n2)cc1	264381244	KBCALPIPHIHMBB-UHFFFAOYSA-N	302.422	3.249	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC(=O)[C@@H]1C	279639213	JAZKCDQHRGWHDK-ZBFHGGJFSA-N	316.445	3.106	10	20	DGCD	
CCN(CC)c1ccc(CNCCC[C@@H](C)C(=O)O)cc1F	277457185	VJQFMWZLHQUYTD-CYBMUJFWSA-N	310.413	3.262	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCc2cccs2)c1	273370056	FXHHNPNMPRTAGU-NSHDSACASA-N	305.399	3.134	10	20	DGCD	
Cc1ccc(O)c([C@H](C)Nc2cccc(N3CCNC3=O)c2)c1	273346937	AVCNEMMWAONCAL-ZDUSSCGKSA-N	311.385	3.403	10	20	DGCD	
CN(C)c1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1F	371811956	YVDBQOJOMXCXKH-MRXNPFEDSA-N	306.425	3.140	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@@H](C)c2c(C)cc(C)cc2O)cc1	284113304	NLTAPMWYVQCQRN-KSSFIOAISA-N	315.413	3.402	10	20	DGCD	
C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1c(F)cncc1F	285724442	QIDGRCZPAVYUMX-BDAKNGLRSA-N	323.299	3.385	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O	289721570	JRAFFRCNDZSJDC-NVXWUHKLSA-N	321.392	3.123	10	20	DGCD	
CC[C@@H](N[C@H](CO)CCOC)c1cc(Cl)cc(Cl)c1O	286967836	IHYAUCCPKQEJGZ-GXFFZTMASA-N	322.232	3.137	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1nnc(C)s1	283124847	ZHLKNKSIZXYIOP-UHFFFAOYSA-N	320.418	3.386	10	20	DGCD	
CC(C)[C@H](CO)CN[C@H](C)c1cc(Br)ccc1O	806169820	RIJBKTBYGAJJID-MNOVXSKESA-N	316.239	3.070	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCCCN2CCCC2)c1	293836854	XNKXTYWHQOXUQA-OAHLLOKOSA-N	306.450	3.318	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]3C[C@@H]32)cc1F	806772557	SCPUKQIFPLOCQC-YOEHRIQHSA-N	319.424	3.366	10	20	DGCD	
COCCCCCNC(=O)NCc1c(C)c2ccccc2n1C	471776903	YYPAVGIWXYJQRQ-UHFFFAOYSA-N	317.433	3.103	10	20	DGCD	
CC[C@H](NCCc1nccnc1C)c1cccc(Cl)c1O	294980962	KPGIBTRVWNFVJJ-AWEZNQCLSA-N	305.809	3.427	10	20	DGCD	
CCCCN(CCOC[C@@H]1CCCO1)Cc1ccccc1O	801597161	CPXQGINCDJHJMJ-KRWDZBQOSA-N	307.434	3.190	10	20	DGCD	
C[C@H](N[C@H]1CCN[C@H](C)C1)c1ccc(N2CCCCC2)cc1	817970852	GFQRNIGTUZQDSL-RYRKJORJSA-N	301.478	3.468	10	20	DGCD	
CC(C)CCC[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819166373	VOZGYWPMYYMKIN-CQSZACIVSA-N	318.417	3.371	10	20	DGCD	
CO[C@H]1CCC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	815835732	DAFCHZRLZGYMPM-CABCVRRESA-N	317.429	3.092	10	20	DGCD	
CC[C@@H](CC(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1	825394010	OHBDQEAVNXQURA-KRWDZBQOSA-N	318.461	3.212	10	20	DGCD	
CCOc1ccc(CN[C@@H](CC(C)C)C(=O)OC(C)C)c(O)c1	734004685	BQSOBQOGXGDHJS-INIZCTEOSA-N	323.433	3.247	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=S)NCc1cccs1	734385148	MKAFUZUUMUWXNO-UHFFFAOYSA-N	319.499	3.287	10	20	DGCD	
CC[C@H](NC(=O)c1cc(O)cs1)c1ccc2c(c1)OCCO2	731870854	ZXBDMWJUXRRRBC-LBPRGKRZSA-N	319.382	3.106	10	20	DGCD	
C[C@@H](CCO)CCN[C@H](C)c1cccc(C(F)(F)F)c1O	834829946	AGIJUFUEFBIGSR-GHMZBOCLSA-N	305.340	3.470	10	20	DGCD	
CSC[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	736361187	PKYVWVJGIHOLNG-CYBMUJFWSA-N	323.462	3.426	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)C1CCSCC1	732959160	SANQPQWQGFNPTB-UHFFFAOYSA-N	318.486	3.436	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c(O)c1	834898919	SSFIXYKARJVKFA-XIKOKIGWSA-N	312.369	3.099	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(N(C)C)cc2C)C1	840935384	NUDDQBZTQHKGTG-CECAUBDESA-N	322.518	3.230	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2cccc(F)c2)cc1	844852622	TYRMUIMXNTZMIM-UHFFFAOYSA-N	316.376	3.043	10	20	DGCD	
Cc1noc(C)c1[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	749837913	HASOUSDMEZKUJX-LBPRGKRZSA-N	315.417	3.120	10	20	DGCD	
CCc1cccc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1O	848906839	XQLVIATXZSRTKF-NSHDSACASA-N	303.406	3.486	10	20	DGCD	
CCN(CCOC)Cc1c(O)ccc2oc3c(c12)CCCC3	921047602	ZFMWPRFZPJMZAS-UHFFFAOYSA-N	303.402	3.486	10	20	DGCD	
COc1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c(O)c(C(C)(C)C)c1	850337891	AIYRDHSJNJGCPF-WQVCFCJDSA-N	305.418	3.108	10	20	DGCD	
CCC[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1C)OCC	858681940	KTCZLFRQGPECAC-KRWDZBQOSA-N	321.465	3.065	10	20	DGCD	
CCCC[C@@H](COC)N[C@H](C)c1cc(C(=O)OC)ccc1O	756584968	HUOGCSTWLWFESY-OCCSQVGLSA-N	309.406	3.035	10	20	DGCD	
COc1cc([C@H](C)NCc2ccc(N3CCCC3)cc2)on1	924646324	AJGJGZWEXXTEFF-ZDUSSCGKSA-N	301.390	3.134	10	20	DGCD	
COc1cccc2c1CC[C@@H](NCc1ccc(N(C)C)cc1)C2	756032406	QDZPFMVHDWIFGE-QGZVFWFLSA-N	310.441	3.408	10	20	DGCD	
COc1ccc(O)c(CNCc2nc3ccc(F)cc3s2)c1	758344379	SHQRGRMUFLASSH-UHFFFAOYSA-N	318.373	3.439	10	20	DGCD	
COCCN(Cc1ccco1)Cc1cc(F)c(N(C)C)cc1F	862224314	PLMSTZVXRBZTKB-UHFFFAOYSA-N	324.371	3.272	10	20	DGCD	
COc1cc(CN2CCC[C@H]2CN2CCCCC2)c(O)cc1C	768446283	JHMZLRFRUURMQG-KRWDZBQOSA-N	318.461	3.160	10	20	DGCD	
CC[C@H](N[C@H](C)CC[S@@](C)=O)c1cc(Cl)ccc1O	775527824	UQUBYWKNHQHMOK-KPGGICDASA-N	303.855	3.243	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)N1CCc2ccccc21	879648988	IPNWASAOSJRRLV-ZIAGYGMSSA-N	310.397	3.021	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCC[C@H](F)C2)c1O	1118202010	NFFPSHDVMHLUOF-WDEREUQCSA-N	302.733	3.324	10	20	DGCD	
Cc1ccc(CN[C@@H]2CCN(c3ccccc3F)C2)c(O)c1	877546985	ZUOBYRQGVBDOQL-OAHLLOKOSA-N	300.377	3.208	10	20	DGCD	
C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1	773991381	ALUJYXJMPRELQC-GFCCVEGCSA-N	313.357	3.152	10	20	DGCD	
CCCN(Cc1ccccc1-n1cncn1)c1ccc(CN)cc1	775141029	UREWWTCPHROZPO-UHFFFAOYSA-N	321.428	3.143	10	20	DGCD	
CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(N(C)C)cc2)C1	775202278	UJVLDVGTEKRYEQ-IBGZPJMESA-N	318.461	3.164	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@H](OC)C1CCOCC1	876654405	FEMDNFWCAPDIIW-SFHVURJKSA-N	307.434	3.046	10	20	DGCD	
C[C@@H](O)C[C@H](CNCc1cc(F)cc(F)c1O)c1ccccc1	883041397	LDUYVTKOAIICJY-TZMCWYRMSA-N	321.367	3.315	10	20	DGCD	
COC(=O)CC1(NCc2cc(Cl)cc(Cl)c2O)CCC1	777439290	CJJLFFUTFLBKDN-UHFFFAOYSA-N	318.200	3.274	10	20	DGCD	
CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cc(C)cc(C)c2O)C1	773325554	HTJFIHTWWSGYKY-IBGZPJMESA-N	319.445	3.420	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	784861839	NKHXIXVTWZYKAA-HAQNSBGRSA-N	306.358	3.040	10	20	DGCD	
COc1ccc(O)c(CN2CCOc3c(Cl)cccc32)c1	789571192	LKUDWHOXKZOEHS-UHFFFAOYSA-N	305.761	3.453	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H](C)[S@]1=O	792192306	MBUJABVNUTVUQW-MCCHPSBSSA-N	322.257	3.040	10	20	DGCD	
C[C@H](Cc1cccnc1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	897970561	SNUYCFPTYOSAPB-SNVBAGLBSA-N	321.764	3.070	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](SC)c2ccccc2)c(O)c1	794382732	GBPOZTRGYRMZNS-MRXNPFEDSA-N	317.410	3.121	10	20	DGCD	
C[C@H]1CCCN([C@@H](C)CNCc2c(O)ccc(Cl)c2F)C1	790948016	CXXROVPITFBOCN-RYUDHWBXSA-N	314.832	3.395	10	20	DGCD	
O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cccc(O)c1O	790767474	LJSCYFBWTYDNJW-CABZTGNLSA-N	321.735	3.176	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNC[C@@H]1CCSC1	715786908	BOCCYIUWKKQADU-QMMMGPOBSA-N	320.227	3.137	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc(C[S@](C)=O)cc2)c1	797134488	SQCXCIOQAGSUQW-PEBXRYMYSA-N	317.454	3.430	10	20	DGCD	
c1ccc2nc(NCc3ccc(N4CCOCC4)cc3)ncc2c1	1328556040	DTJBBCRELDWRMM-UHFFFAOYSA-N	320.396	3.079	10	20	DGCD	
COc1ccc([C@H](C)NC(=O)NCc2cc(C)ccc2O)cc1	1332650139	MZHUVSMVSTXPHJ-ZDUSSCGKSA-N	314.385	3.270	10	20	DGCD	
CC[C@H](NCc1cc(F)c(N(C)C)cc1F)C1CCOCC1	1348085128	DYXAOLLHJCDNFC-INIZCTEOSA-N	312.404	3.326	10	20	DGCD	
Cc1nccn1CCCN(C)Cc1ccc(N2CCCC2)cc1	1261183427	PVKPGKCBJIWHMW-UHFFFAOYSA-N	312.461	3.314	10	20	DGCD	
Nc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1	1356083537	RNMOPNQNOYLXJG-QGZVFWFLSA-N	310.397	3.377	10	20	DGCD	
Cc1oc(C(=O)O)cc1CN[C@H](C)c1ccc(N(C)C)cc1	1600830037	DVSLDRLWQFGOGT-LLVKDONJSA-N	302.374	3.203	10	20	DGCD	
CSc1ccc(N[C@H](C)c2cc(C(=O)O)ccc2O)nc1	1610384771	MXIVRBFRHIBXCI-SECBINFHSA-N	304.371	3.380	10	20	DGCD	
COc1cc(C)c(CNC[C@H](C(=O)O)C2CCCCC2)c(O)c1	1599391229	MKZXTNAAFLRHBZ-INIZCTEOSA-N	321.417	3.080	10	20	DGCD	
COCc1ccc(COc2ccc(N(C)C)c(C(=O)O)c2)cc1	1599293082	COFDFCRTTMVHEP-UHFFFAOYSA-N	315.369	3.176	10	20	DGCD	
CCNC(=O)N1CCc2ccc(NCc3ccccc3O)cc21	151720258	SGFMGHQIEOJQHW-UHFFFAOYSA-N	311.385	3.096	10	20	DGCD	
O=C(O)c1cccc(NCc2cccc(Br)c2O)c1	48795510	TZCTVOHDKPGDDG-UHFFFAOYSA-N	322.158	3.465	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNCCCC(F)F	1332796220	BQQKRGZEJAQILR-UHFFFAOYSA-N	312.129	3.429	10	20	DGCD	
CCc1ncsc1C(=O)NCc1ccc(N(CC)CC)cc1	178616959	PMLKZNRMIOZWGH-UHFFFAOYSA-N	317.458	3.482	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cccs2)c1	103505074	QXZKGEOCJUOWNM-JTQLQIEISA-N	306.387	3.023	10	20	DGCD	
COc1csc(C(=O)NCc2ccc(N3CCCC3)cc2)c1	176548278	CIBITNFJSGKDIQ-UHFFFAOYSA-N	316.426	3.287	10	20	DGCD	
COCCN(Cc1ccccc1)Cc1cc(OC)ccc1O	179560462	XFXXNRSKRNHFEX-UHFFFAOYSA-N	301.386	3.049	10	20	DGCD	
C[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC[C@H]1C	317184466	NKGUFOQJDMUWEO-WBIIUDBISA-N	304.346	3.175	10	20	DGCD	
CC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCCC1	126868904	LKYOHBCGRJMWEC-UHFFFAOYSA-N	313.445	3.442	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1ccsc1)c1ccc(F)c(F)c1O	187732109	PCCUHWDRGKKCFL-PSLIRLAXSA-N	313.369	3.290	10	20	DGCD	
COc1ccc(N(Cc2cccs2)C[C@@H](O)CSC)cc1	188050290	NAUZRYOLFQZTMX-CQSZACIVSA-N	323.483	3.487	10	20	DGCD	
C[C@@H]1CCc2sc(C(=O)NCCc3ccc(N)cc3)cc2C1	237549083	WUXYXFBNSJTGRW-GFCCVEGCSA-N	314.454	3.428	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2CSC2(C)C)n(C)c2ccccc12	338479491	RYJNQPGTUMABLD-OAHLLOKOSA-N	317.458	3.180	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1	244093788	UFHJMFLQMJAWJD-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
Cc1ccoc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	264793981	XZFYTEFMPSPDGG-HNNXBMFYSA-N	315.369	3.115	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1ccc([S@@](C)=O)cc1	268897387	ZDTQKOQIELWCMB-WHEQGISXSA-N	315.438	3.210	10	20	DGCD	
CC1([C@H]2CCCN(Cc3c(O)cccc3Cl)C2)OCCO1	273224391	VVGYBDUOSXHRNZ-LBPRGKRZSA-N	311.809	3.021	10	20	DGCD	
CCCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC	281222330	BMTMBEQYHPOQPU-UKTHLTGXSA-N	323.439	3.315	10	20	DGCD	
COc1cc(O)c(CNC(C2CCC2)C2CCC2)cc1OC	289852065	VAIOBBNQZKRJSF-UHFFFAOYSA-N	305.418	3.468	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCN1CCc3sccc3C1)CC2	296110896	USTXZCABRBCOML-HNNXBMFYSA-N	314.454	3.089	10	20	DGCD	
C[C@@H](NCc1cc(F)ccc1O)[C@H]1OCCc2sccc21	292695956	BTVQPWWLCWKPCQ-QLJPJBMISA-N	307.390	3.385	10	20	DGCD	
CCc1nc([C@@H](C)N[C@@H](C)c2cc(Cl)cc(C)c2O)n[nH]1	808710219	MWDCCOLTWNPQCY-VHSXEESVSA-N	308.813	3.446	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)c2noc(COC(C)C)n2)cc1C	291035657	YTQHNFWNPILDKB-CYBMUJFWSA-N	319.405	3.168	10	20	DGCD	
CC[C@H](CN[C@H](C)c1cc(Br)c(F)cc1O)OC	810260730	NMKOYKWIVSMHFN-RKDXNWHRSA-N	320.202	3.369	10	20	DGCD	
Cc1cccc(C)c1NC(=S)NCc1ncccc1N(C)C	811709940	UCACHUYCIUVHGI-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@](C)(OC)C2CC2)cc1F	812506082	VTBINRKPVNLCIG-GOSISDBHSA-N	322.424	3.103	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)C=C3CCCC3)C2)cc1	819582968	NVQYRCKOECXCLL-INIZCTEOSA-N	314.429	3.138	10	20	DGCD	
C[C@H](Cc1cccs1)NC[C@@H](N)c1ccc(N(C)C)cc1	817939068	YLZMUOQPXMPCND-CXAGYDPISA-N	303.475	3.035	10	20	DGCD	
OCC1(c2ccccc2)CCN(Cc2cc(F)ccc2O)CC1	816625075	QGTYVPWDODIFHS-UHFFFAOYSA-N	315.388	3.057	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1	815657950	NKYKRGYTQVSGKO-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
CCc1nnc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)s1	810259060	AJHLZOZAJJUFKQ-SCZZXKLOSA-N	307.394	3.283	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@@]3(CCSC3)C2)cc1OC	825215319	MFQBPSSKNUOUPN-QGZVFWFLSA-N	323.458	3.129	10	20	DGCD	
CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C	827952387	QTEWSYGSSUCRMQ-DOMZBBRYSA-N	321.417	3.183	10	20	DGCD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)cc1O	820667752	FUAGPPCVDRZQPW-QGZVFWFLSA-N	313.397	3.229	10	20	DGCD	
CCC(CC)(CC(=O)O)NC/C=C/c1ccc(N(C)C)cc1	901795542	RFNXFABSUPHVPZ-BQYQJAHWSA-N	304.434	3.389	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CC(=O)O)c2ccccc2F)cc1	904045976	SUPSFRRMMTWJGU-KRWDZBQOSA-N	316.376	3.197	10	20	DGCD	
COc1cc(F)cc(C[C@@H](C)NCc2cc(F)ccc2O)c1	825325369	BRCQRKMCVDLYAB-LLVKDONJSA-N	307.340	3.400	10	20	DGCD	
COc1cc2c(c(OC)c1)N(CCc1scnc1C)CCC2	839656607	OKSGRWOPSZPSIP-UHFFFAOYSA-N	318.442	3.464	10	20	DGCD	
CC[C@@](C)(CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC	834881596	AYYMLBSVWYOCRE-KDOFPFPSSA-N	324.440	3.128	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836787156	IGHHPBVHHZWIGB-LZLYRXPVSA-N	317.429	3.479	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C=C1CCCCC1	742953121	VPBBZWAQIMEWMZ-UHFFFAOYSA-N	300.402	3.369	10	20	DGCD	
CCOc1nnc(CN(CC2CC2)c2ccc(OC)cc2)s1	831582656	BGMHLJJWOOBXQK-UHFFFAOYSA-N	319.430	3.362	10	20	DGCD	
CC[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1O	842886584	SQBMXTRIQKZHOL-KBPBESRZSA-N	324.852	3.486	10	20	DGCD	
O=C(O)c1ccc2c(c1)CN(Cc1cc3c(cc1O)CCC3)C2	740201903	APPRHOVZFZSDLV-UHFFFAOYSA-N	309.365	3.095	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CC[C@@H]2OCC[C@@H]2C1	843420903	LPOZHZWPSSAWPP-MJGOQNOKSA-N	300.446	3.288	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1NCCc2ccccc21	841068081	UNIIMBAXGBBPLF-HXUWFJFHSA-N	309.457	3.038	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1CCN(CC2CC2)c2ccccc21	744753070	FRTNNOVDNYIZQL-KTKRTIGZSA-N	319.408	3.358	10	20	DGCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)N[C@H]1[C@@H]2CNC[C@@H]21	841004523	JOMMBWGRMLZMPP-FVQHAEBGSA-N	321.384	3.441	10	20	DGCD	
c1nc(NCCCSc2nccs2)cc(NC2CC2)n1	840261729	TWCPCBUXXOOFDP-UHFFFAOYSA-N	307.448	3.102	10	20	DGCD	
C[C@@H](CNCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)O	848639703	JSLWLEKRTAZMIZ-HNNXBMFYSA-N	324.424	3.060	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCC[C@@H]2C(=O)O)cc1F	840997817	NFWVKHOZGLAASH-MRXNPFEDSA-N	308.397	3.111	10	20	DGCD	
CCc1cccc(CN2CCCN(CC(F)(F)F)CC2)c1O	848881786	UVUXFNKTGBJXRK-UHFFFAOYSA-N	316.367	3.025	10	20	DGCD	
CCOc1ccc(O)c(CN2C[C@@H](C)NCc3ccccc32)c1	841089212	JANZLZBFIOIBRP-CQSZACIVSA-N	312.413	3.289	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCCC[C@@H]1O	757098956	IMFLNEGHBGCORF-ZFWWWQNUSA-N	318.442	3.189	10	20	DGCD	
COc1ccc(O)c(CNCCc2ccc(F)c(F)c2F)c1	753576867	WDUIFTMAMHFPAP-UHFFFAOYSA-N	311.303	3.150	10	20	DGCD	
CC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc21	756996053	DIZZLPCNODDKBL-GOSISDBHSA-N	322.408	3.209	10	20	DGCD	
CC[C@]1(C)CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	758781500	XGHDKUYAYPOVGQ-GOSISDBHSA-N	303.450	3.393	10	20	DGCD	
CN(C)c1ccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)cc1	759861332	IBXDDVJRDYGUIH-WZUFQYTHSA-N	315.804	3.477	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H](C3CCC3)C3CC3)cc2)CC1	850568374	WNDGRQKPUNUQMP-FQEVSTJZSA-N	314.473	3.316	10	20	DGCD	
CCC(=O)N1CCC([C@@H](C)NCc2ccc(OC)c(C)c2)CC1	1029030982	HYGLBAVPSWMJII-OAHLLOKOSA-N	318.461	3.130	10	20	DGCD	
Cc1sc(NC(=O)CN(C)c2ccc(N)cc2)c(C)c1C	863557666	RYYKQERHOHCFDP-UHFFFAOYSA-N	303.431	3.330	10	20	DGCD	
CC[C@@H]1C[C@@H](C)CN1Cc1ccc(N2CCOCC2)c(F)c1	769447607	HYJWUQNHMLUSJU-GDBMZVCRSA-N	306.425	3.283	10	20	DGCD	
CCO[C@H](CCNC(=O)N[C@H](C)c1ccccc1O)C(C)C	868328501	HEFKWUYKDDRPGW-CZUORRHYSA-N	308.422	3.204	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cnc2cc[nH]c2c1	878219434	LBYMUSQCBRBMCW-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
CCOc1cccc(CN[C@H](CC)[C@H](O)c2ccccc2)c1O	873193814	ONIRJUYPATVGIR-SJLPKXTDSA-N	315.413	3.393	10	20	DGCD	
CCN(CC)c1ccc(CNCC2([C@H](O)C(C)C)CC2)cc1	776494205	BMQWIXMHNBRNLG-GOSISDBHSA-N	304.478	3.420	10	20	DGCD	
COC1CCC(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	781036603	VIYYDVJMNRDWTK-KTAKPFMOSA-N	304.434	3.135	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)C[C@@H](C)O)c1C	783628248	APEKNOVFTJWZKR-UKRRQHHQSA-N	314.429	3.292	10	20	DGCD	
Cc1cccc(NC(=S)NNc2ccc3c(=O)[nH]ccc3c2)c1	789319507	JIOIPMASILTAHR-UHFFFAOYSA-N	324.409	3.150	10	20	DGCD	
Cc1ccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c(O)c1O	780910856	FWDNAPQGGOLSER-UHFFFAOYSA-N	320.776	3.378	10	20	DGCD	
CCOc1cccc2[nH]cc(CC(=O)NCc3ccccc3O)c12	783676232	GNDSRHFGWXLIQE-UHFFFAOYSA-N	324.380	3.131	10	20	DGCD	
COc1cc(C)cc(CNc2ccc3c(c2)C[C@H](OC)C3)c1O	894446238	UDRTUUFBDDOTBV-QGZVFWFLSA-N	313.397	3.435	10	20	DGCD	
COc1ccc(CNC(=O)NC2C[C@H](C)C[C@@H](C)C2)c(O)c1	792954537	LCGLZRFPYGJGJP-VXGBXAGGSA-N	306.406	3.025	10	20	DGCD	
Cc1ccc(CCNCc2cc(Br)ccc2O)nc1	689484054	HOTSGUZINXREPO-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
COc1ccc(CNC(=O)NCC[C@@H]2CCCC[C@@H]2C)c(O)c1	792943882	ZRFZSYCRZKERLF-KBPBESRZSA-N	320.433	3.416	10	20	DGCD	
O=C(NCCCSc1nccs1)c1occ2c1CCC2	796419651	RERWNZYHDJFPKV-UHFFFAOYSA-N	308.428	3.137	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H](C)O1	92486738	LJWNGPQPPDATNA-GXFFZTMASA-N	314.223	3.154	10	20	DGCD	
CCC(CC)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089807393	MPLJMSKVUOFJEJ-UHFFFAOYSA-N	319.424	3.300	10	20	DGCD	
CCCCCC(=O)N1CCN(c2ccc(OCC)cc2)CC1	1319496896	VJBWCPWOLOYDDJ-UHFFFAOYSA-N	304.434	3.314	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1	1322869254	NHAFAVZMDDRSJM-MRXNPFEDSA-N	314.429	3.090	10	20	DGCD	
CC[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1323290838	KFMRPYCOCLONBD-MRXNPFEDSA-N	319.468	3.200	10	20	DGCD	
FC(F)CN1CCC[C@H]1CNCc1ccc(N2CCCC2)cc1	1334907999	KRHGWQLNKRUCNA-KRWDZBQOSA-N	323.431	3.106	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1	1331554530	RVCZAXRVXYAILE-LBPRGKRZSA-N	304.365	3.295	10	20	DGCD	
CCCN(Cc1ccccc1O)c1cc(C)nc(COCC)n1	1342947728	QURIPURRFNTAMK-UHFFFAOYSA-N	315.417	3.444	10	20	DGCD	
C[C@@H]1CCCN(c2ccc(CN[C@H](C)[C@@H](C)O)cc2Cl)C1	1345639432	SXSAHHDDASCKIL-MGPQQGTHSA-N	310.869	3.435	10	20	DGCD	
CN(CC[C@H]1CCCC1(F)F)c1ccc(OCC(=O)O)cc1	1606111402	XRPNPUMQQMXSAH-GFCCVEGCSA-N	313.344	3.412	10	20	DGCD	
CN(C)c1ccc(OCCC2SCCS2)cc1C(=O)O	1606058805	OXAZYZMWGJNQFM-UHFFFAOYSA-N	313.444	3.026	10	20	DGCD	
Nc1ccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])cc1	1580445447	DNXQGPONFGHNHZ-UHFFFAOYSA-N	305.765	3.163	10	20	DGCD	
Nc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1	1580460462	UODUGABDKAEILV-UHFFFAOYSA-N	309.413	3.189	10	20	DGCD	
NC1CC2(C1)CC(NCc1cc(Cl)cc(Cl)c1O)C2	1580166010	NCKVVOKLKNAWTJ-UHFFFAOYSA-N	301.217	3.059	10	20	DGCD	
C[C@H](NCc1ccc(C(=O)O)cc1F)c1ccc(N(C)C)cc1	1593297386	UQJKIPQUVNUYKD-LBPRGKRZSA-N	316.376	3.441	10	20	DGCD	
C[C@H](NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)c1cc(C(=O)O)ccc1O	1593251725	KSFDAOGGPFAFCW-GDKNAVJSSA-N	323.392	3.327	10	20	DGCD	
C[C@H](NCCC[C@@H]1CCCCO1)c1cc(C(=O)O)ccc1O	1593264426	KIHFAABAYPMXHY-JSGCOSHPSA-N	307.390	3.090	10	20	DGCD	
COc1ccc2c(c1)CCN2[C@@H](C(=O)O)c1ccc(F)cc1C	1777373282	AESXZLUFOUZBNX-QGZVFWFLSA-N	315.344	3.331	10	20	DGCD	
CC[C@H](C)NC(=O)CCNCc1cc(Cl)cc(Cl)c1O	38013744	UNXAHMRMTSXXSQ-VIFPVBQESA-N	319.232	3.093	10	20	DGCD	
CC[C@](C)(CNCc1cccc(Br)c1O)OC	322922268	LIXDITUFVJJJBF-CYBMUJFWSA-N	302.212	3.059	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc3[nH]ccc3c2)c1O	105028077	ANNVIMHUIUXHBT-UHFFFAOYSA-N	311.341	3.204	10	20	DGCD	
CN(CC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1O	109771684	WVMREKZJFBRWFR-UHFFFAOYSA-N	304.777	3.116	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc(F)cc1O)c1ccc(NC(N)=O)cc1	170789482	ROZCOMNOGGVIFA-QWRGUYRKSA-N	317.364	3.434	10	20	DGCD	
C[C@H](C1CC1)n1cc(NCc2cc([N+](=O)[O-])ccc2O)cn1	189237353	VZIWOSBTRJDQMC-SNVBAGLBSA-N	302.334	3.080	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC[C@H]2C)c1	172072409	PNSWSNWLGFNOTN-OLZOCXBDSA-N	306.406	3.026	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cn1	301786489	VIRUJNRZMGYYMW-UHFFFAOYSA-N	300.362	3.082	10	20	DGCD	
CC(=O)c1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1	174619836	AFKTVVFDMOXBJG-UHFFFAOYSA-N	322.408	3.419	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cc(OC)ccc1O	183444031	JTSUMYASODOQDO-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
CC(C)(C)CCNCc1ccc(N2CCC(O)CC2)c(F)c1	187709770	OPIJOCVCGFHOMX-UHFFFAOYSA-N	308.441	3.313	10	20	DGCD	
CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O	78368510	VXGCCAXHYQHVRB-ZFWWWQNUSA-N	308.447	3.256	10	20	DGCD	
CCN1CCC(CCN[C@H](C)c2ccc(F)c(F)c2O)CC1	187736132	DEFHWJSQGGBNAS-GFCCVEGCSA-N	312.404	3.443	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cnc(Cl)cc2C)c1	132014798	PERVMQMIFBBOEW-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](C(C)C)N2CCCC2)c1	192952729	LBPHKOZSQDCEKT-PBHICJAKSA-N	306.450	3.172	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2cc[nH]c2)C1	86254093	XABHNMZNVWVTGY-MRXNPFEDSA-N	319.836	3.128	10	20	DGCD	
COc1cc(O)c(CNCc2ccc3ncccc3c2)cc1OC	192976582	NJPBAVLBDCFZDM-UHFFFAOYSA-N	324.380	3.247	10	20	DGCD	
Oc1cc2c(cc1CN(CCC(F)(F)F)CC1CC1)OCO2	84482169	JWBXGIPTQNSDGL-UHFFFAOYSA-N	317.307	3.285	10	20	DGCD	
Cc1nccn1-c1ccc(NCc2ccc(N(C)C)cc2)cn1	320108776	WLOJFLYDVWMIGE-UHFFFAOYSA-N	307.401	3.254	10	20	DGCD	
Cc1csc([C@@H]2COCCN2Cc2cccc(Cl)c2O)n1	190406755	BYUNIMUITPQIGJ-ZDUSSCGKSA-N	324.833	3.384	10	20	DGCD	
COc1cc(C(=O)Nc2ccc(N)cc2)ccc1OC(F)F	237278835	VWUVTODFVIMSPI-UHFFFAOYSA-N	308.284	3.131	10	20	DGCD	
C[C@@H](C1CC1)N(Cc1ccc(N2CCOCC2)cc1)C1CC1	92009593	NAUYQBIPJMYYCS-HNNXBMFYSA-N	300.446	3.286	10	20	DGCD	
CCOc1ccc(SCC(=O)Nc2ccc(N)cc2)cc1	236868956	LAOYSLRFLOQWKF-UHFFFAOYSA-N	302.399	3.398	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCC1(C)Cc2ccccc2C1	91931914	RCPVECKXTJLIDS-UHFFFAOYSA-N	324.424	3.339	10	20	DGCD	
COc1cccc(CN2CCO[C@@H](c3cccc(F)c3)C2)c1O	92975757	NDTCHHOMFKRJTQ-QGZVFWFLSA-N	317.360	3.113	10	20	DGCD	
COc1ccc(CCNCc2cc(Cl)cc(C)c2O)cn1	529661982	MDDOCDCDIMTXCS-UHFFFAOYSA-N	306.793	3.090	10	20	DGCD	
C[C@@H]1[C@H](C(=O)NCc2cc(Br)ccc2O)[C@@H]1C1CC1	529391533	ZYSWRIWNUASDHS-YZMDESFKSA-N	324.218	3.063	10	20	DGCD	
Cc1ccc2c(c1)OCCN2C(=O)/C=C\c1cnc(C)s1	255728705	GXWWLGXEFJXITO-XQRVVYSFSA-N	300.383	3.199	10	20	DGCD	
C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1O	276997203	YRAWUODMFQJFGU-NOZJJQNGSA-N	307.344	3.132	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](Cc2ccccc2)C1	366150889	GCLFOKKAMYHLER-OAHLLOKOSA-N	311.381	3.193	10	20	DGCD	
COc1cc(O)c(CNCC2(OC)CCC(C)CC2)cc1OC	279866924	SZEZVDXGOQQYJM-UHFFFAOYSA-N	323.433	3.094	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1	270090845	KRGGLWZNOGDDFQ-ZSEKCTLFSA-N	303.427	3.289	10	20	DGCD	
CN(C)c1ccc(CNC(C)(C)CCO)c(C(F)(F)F)c1	280984280	UOWWASOGTNZUNL-UHFFFAOYSA-N	304.356	3.022	10	20	DGCD	
CN1CCC(N(Cc2ccccc2)Cc2ccccc2O)CC1	290486950	OKNYQMWIGJYEMW-UHFFFAOYSA-N	310.441	3.489	10	20	DGCD	
CCN(C)C(=O)OC[C@H]1CCCCN1Cc1cc(C)ccc1O	809723333	HALKAMFIDFMLLN-MRXNPFEDSA-N	320.433	3.143	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@]2(O)CCC[C@@H]2C)cc1F	815159298	PXOFOTGSFIZENF-KBXCAEBGSA-N	308.441	3.313	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc3ccccc3c2O)C[C@H](C)[S@]1=O	816608816	KEOGOYBZQDJKHQ-JWCWZOIMSA-N	317.454	3.277	10	20	DGCD	
C[C@@H]1C[C@H]1c1ccc(CNCc2cc3c(cc2O)OCO3)o1	725846643	JYQFXKKEDPUDRS-ZWNOBZJWSA-N	301.342	3.127	10	20	DGCD	
C[C@H](NC(=O)Nc1ccccc1CN)c1ccc(N(C)C)cc1	904643658	LAGCQUVVFRIKOV-ZDUSSCGKSA-N	312.417	3.094	10	20	DGCD	
CCN(CC)c1ccc(C(=O)NCCc2ccc(N)cc2)cc1	832652998	OEOJVMVGVIXRKW-UHFFFAOYSA-N	311.429	3.088	10	20	DGCD	
Oc1ccccc1CNC(=S)NCCSc1ccccc1	748156046	CTWDJKKVFUBBSC-UHFFFAOYSA-N	318.467	3.149	10	20	DGCD	
C[C@@H]1CCC[C@@H](C)C1NC(=O)NCc1ccc(N(C)C)cc1	747864260	MIIIUCXFRZRWLJ-ZIAGYGMSSA-N	303.450	3.377	10	20	DGCD	
Cc1nc[nH]c1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	748000180	PKJYWLOBBGUJOZ-UHFFFAOYSA-N	308.385	3.056	10	20	DGCD	
CCOc1ccc(N(C)C[C@@H](CN)c2ccc(OC)cc2)cc1	842472600	FTNAGAAFQMUWDS-MRXNPFEDSA-N	314.429	3.273	10	20	DGCD	
CC[C@@H](NCC[C@]1(O)CCCOC1)c1cc(Cl)ccc1O	846214827	WYNYDTRWWGVPDX-GDBMZVCRSA-N	313.825	3.018	10	20	DGCD	
COc1ccc([C@H](C)CCNC(=O)c2cc(O)cs2)cc1	743628495	ROEFNBYEDPSJDC-LLVKDONJSA-N	305.399	3.386	10	20	DGCD	
COC(C)(C)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	742720151	QSLNPFXJOJTVCW-UHFFFAOYSA-N	318.392	3.388	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@H](C)c1cccc(OC)c1O	846161728	BVKJWSRKTPDJPT-ZIAGYGMSSA-N	319.401	3.292	10	20	DGCD	
COc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ncn1	754352731	COLNWVYMHGADFI-UHFFFAOYSA-N	322.368	3.145	10	20	DGCD	
C[C@](O)(CNCc1ccc2c(c1)CCCO2)c1ccsc1	921770283	LHTNHSCQOXZCTD-KRWDZBQOSA-N	303.427	3.070	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCC2(C)CC2)cc1F	752011064	WNEVDMOPCJEUAA-UHFFFAOYSA-N	307.413	3.271	10	20	DGCD	
CN(C)c1ccc(CNCc2cc3c(nc2O)CCCC3)cc1	865878802	BEAORMNJKXYTLX-UHFFFAOYSA-N	311.429	3.022	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCc2nnc3ccccn23)cc1	764640376	RUAHVOOQSIUCLJ-OAHLLOKOSA-N	323.444	3.079	10	20	DGCD	
FC(F)Oc1ccc(N2CCC(NCc3ccon3)CC2)cc1	873035531	MBAZJEXAZHMHGD-UHFFFAOYSA-N	323.343	3.035	10	20	DGCD	
CCCOc1ccc(CNCCCc2cnn(C)c2)cc1C	873037505	WJVKTBXJIHHUKA-UHFFFAOYSA-N	301.434	3.240	10	20	DGCD	
CCc1cccc2c1N(C(=O)/C=C\c1cnc(OC)nc1)CCC2	776313376	FATUMBKNTIMVTJ-KTKRTIGZSA-N	323.396	3.040	10	20	DGCD	
CCOc1ccc(CN[C@H](C)COc2ccccc2)c(O)c1	776175411	YYASGGYEHVVVFP-CQSZACIVSA-N	301.386	3.348	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2ccc(F)cc2)CC1	779513258	GGWDWLYLXZSLPL-WAPJZHGLSA-N	313.328	3.056	10	20	DGCD	
CCN(C)c1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1	773810634	VMHZHQCAZUCQEZ-HXUWFJFHSA-N	310.441	3.066	10	20	DGCD	
CSC(C)(C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773347420	VNDFAUHZGPCAFU-GFCCVEGCSA-N	309.479	3.254	10	20	DGCD	
O=[N+]([O-])c1cc(CN2CC=CCC2)ccc1N1CCCCC1	779159329	FMOJYQFYRSKREA-UHFFFAOYSA-N	301.390	3.347	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)CC(C)(C)C2)c1O	775060014	DXOTVFXPPMSQLS-LLVKDONJSA-N	308.378	3.177	10	20	DGCD	
COc1ccc(O)c(CN2CCc3c(F)ccc(F)c3C2)c1	775728445	URHFYHAEQVEQIW-UHFFFAOYSA-N	305.324	3.237	10	20	DGCD	
CC[C@H](N[C@H](C(=O)N1CCCC1)C(C)C)c1ccccc1O	775524438	QGSDQUUKPXTOJG-RDJZCZTQSA-N	304.434	3.080	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2occc2s1	773763183	MGXHLBMHUZHGCS-VIFPVBQESA-N	317.366	3.267	10	20	DGCD	
CSCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773309592	YDDOSPNNXNHFBU-STQMWFEESA-N	309.479	3.254	10	20	DGCD	
C[C@H](Nc1ccc(Br)nn1)c1ccc(N(C)C)cc1	1120037133	CQDSJLZLJDLVRZ-JTQLQIEISA-N	321.222	3.478	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCc3cnoc3)c2C)c1	880796309	AXRRTRXDYQGNNV-UHFFFAOYSA-N	323.396	3.363	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)C[C@H](C)O)c2C)c1	783628485	KQGSCEWDMOLVCE-ZFWWWQNUSA-N	314.429	3.292	10	20	DGCD	
COc1ccc(O)c(CNCc2c[nH]nc2-c2ccsc2)c1	780527629	QPNQISCHWILLRB-UHFFFAOYSA-N	315.398	3.142	10	20	DGCD	
O=C1CCN1c1cccc(NCc2cccc(Cl)c2O)c1	790943015	GGEZOFQVHFUYMB-UHFFFAOYSA-N	302.761	3.394	10	20	DGCD	
COc1ccc(CNC(=O)/C=C/c2ccc3[nH]ccc3c2)c(O)c1	794381668	QTYOQYLAYVIUNG-XVNBXDOJSA-N	322.364	3.212	10	20	DGCD	
CCN(CC1CCC1)C(=O)NCc1ccc(N2CC=CC2)cc1	793044470	YALZEJPFYPTHFF-UHFFFAOYSA-N	313.445	3.394	10	20	DGCD	
C[C@H]1CN(Cc2cc(F)ccc2O)c2ccccc2NC1=O	1324334872	AZUYUCOAHBUJEU-NSHDSACASA-N	300.333	3.126	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2CCCC[C@@H]2C1	1320031952	UMVDVDYBMPFVOJ-NEFCLYRVSA-N	301.386	3.150	10	20	DGCD	
Cc1c(F)cc(Cl)c2c1CCCN2C(=O)C1=CC[C@@H](N)C1	1579537369	PEFVSPDKCAIPNH-LLVKDONJSA-N	308.784	3.114	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2[C@@H]3CCCN[C@H]3C2(C)C)cc1Cl	1579637974	LIPXYWIRYSDGOU-DAXOMENPSA-N	308.853	3.220	10	20	DGCD	
C[C@H](N[C@@H](CCN(C)C)C(C)(C)C)c1cc(C(=O)O)ccc1O	1593208877	KIJWOKUZQQQXBR-LRDDRELGSA-N	322.449	3.107	10	20	DGCD	
Oc1ccc(Br)cc1CN1CCC(F)(F)CC1	404794627	QHGXYGGDFRSPJJ-UHFFFAOYSA-N	306.150	3.386	10	20	DGCD	
CC(C)OCCCNCc1c(O)cccc1Br	706871530	CZBBYLMELOLKSQ-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNC[C@@H]1CCCS1	715789291	OOEARNSOXMWXLM-JTQLQIEISA-N	320.227	3.279	10	20	DGCD	
CC[C@H](N[C@@H](C)C(C)(C)O)c1cc(Br)ccc1O	393969224	WXLHKLHKNSCJGP-CABZTGNLSA-N	316.239	3.355	10	20	DGCD	
CCN(CC1CC1)C(=O)NCc1ccc(N(CC)CC)cc1	171977038	BWOUBQRLWVMSLB-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
Cc1cn(CC(=O)NCc2ccc(N(C)C)cc2)c2ccccc12	50293665	GCMKMWQKRMPNBP-UHFFFAOYSA-N	321.424	3.332	10	20	DGCD	
COc1ccc(C(=O)O)cc1NCc1ccc(N(C)C)cc1	20879557	LSBUJSQYXRCPIX-UHFFFAOYSA-N	300.358	3.072	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1C	27578480	OMHWEPHHEVMUJI-UHFFFAOYSA-N	310.397	3.395	10	20	DGCD	
C[C@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1ccc(N(C)C)cc1	112856709	VTFZSQHCSJCSCQ-YJBOKZPZSA-N	318.461	3.306	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(N(C)C)c1	115281199	XBTRWWRLEPTCRL-UHFFFAOYSA-N	311.429	3.057	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(C)C)on2)c1	122621986	VDINXJSZLYXMLK-JTQLQIEISA-N	304.346	3.003	10	20	DGCD	
Cc1cccc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)c1O	184788877	MUPLBLAIMAWTAY-IBGZPJMESA-N	311.425	3.474	10	20	DGCD	
COc1cccc(CNC(=O)NCC2(CC(C)C)CC2)c1O	127570074	PRMRDRLNFMNWRX-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
COc1cccc(CNC(=O)NCCCC2CCCC2)c1O	73705756	NSPWDKVWGPSRSV-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nccc2ccccc12	183459408	UQAKDLFXQBGJLM-LBPRGKRZSA-N	322.364	3.007	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)CCc2ccccc2)c1	182894578	NAOABWBHZXUEAA-GDBMZVCRSA-N	315.413	3.045	10	20	DGCD	
COc1ccccc1CN(C)c1cc(OC)c(OC)c(OC)c1	180756354	LHCKHPXNMPNSGK-UHFFFAOYSA-N	317.385	3.357	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2)c1	182432538	QPBYCWMCBBYJAA-STQMWFEESA-N	314.385	3.079	10	20	DGCD	
COc1cccc(CNC(=O)c2cccc(Cl)c2C)c1O	194775173	XSXVCNBLLGWZES-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
COc1cccc(CN[C@H](C)CN(C)Cc2ccccc2)c1O	288509170	IPVIUEBUXHDAHR-OAHLLOKOSA-N	314.429	3.011	10	20	DGCD	
C[C@@H](NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1	145452398	VBAWHENDXLOGLM-CYBMUJFWSA-N	316.426	3.076	10	20	DGCD	
Cc1nc(C)c([C@H](C)N(C)C(=O)Cc2ccc(N)cc2)s1	237598228	WAWMHEVCPZQHJY-NSHDSACASA-N	303.431	3.104	10	20	DGCD	
O=C(CC1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	248004957	SPLTYZJOUGQXAY-QGZVFWFLSA-N	317.429	3.480	10	20	DGCD	
CC[C@H](C)[C@H](NCc1ccc(N(CC)CC)c(F)c1)C(=O)O	277242792	JHKXRRXNCYETOB-LRDDRELGSA-N	310.413	3.261	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(N(C)C)cc2)c1	273456964	PTSSWTVRCNJUCF-LBPRGKRZSA-N	314.385	3.418	10	20	DGCD	
CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(OC)c(C)c2)n[nH]1	277489533	UCYXNTCDEPXISY-DGCLKSJQSA-N	302.422	3.486	10	20	DGCD	
O=C1CCCCN1[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	372412867	AIKQPYPNPNUBPE-OAHLLOKOSA-N	322.836	3.023	10	20	DGCD	
COCC(C)(C)CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	287035097	LZMNJKXRLKHXIR-GFCCVEGCSA-N	310.394	3.404	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3cc(Cl)ccc32)c(O)c1O	804345896	FPVPDLOMINMGBI-UHFFFAOYSA-N	303.745	3.263	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CC[C@@H]2CCCO2)C2CC2)cc1	298305794	CCAWXSIOLVHSMT-SFHVURJKSA-N	316.445	3.203	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@@](C)(O)C(F)(F)F)c1O	808708569	NHHFOJZAXVZSFM-PRHODGIISA-N	311.731	3.318	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1ccc(Br)cc1O)C1CC1	293636850	GWCYGRCLQINYFK-OTYXRUKQSA-N	314.223	3.230	10	20	DGCD	
Cc1cc(CN[C@H](CO)[C@H](C)c2ccccc2)ccc1N(C)C	815092700	OQQPTTAOARZCRI-VQIMIIECSA-N	312.457	3.315	10	20	DGCD	
C[C@@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCCC2)cc1	817977039	ZQLMVIVQRFNEKJ-NJAFHUGGSA-N	319.468	3.418	10	20	DGCD	
CCC1(CC)CCN(CN(C)Cc2ccc(N(C)C)cc2)C1=O	817360338	NMHMHUJQVOWAMM-UHFFFAOYSA-N	317.477	3.181	10	20	DGCD	
CCOC(=O)[C@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1	725919201	QKRHKJNZWGNLBW-AWEZNQCLSA-N	315.369	3.203	10	20	DGCD	
COCCN(C(=O)/C=C\c1scnc1C)c1ccccc1	493306133	UBCIWSRIFZNIIF-HJWRWDBZSA-N	302.399	3.144	10	20	DGCD	
CC(C)N1CC[C@H](N(C)Cc2cc(Cl)c(F)cc2O)C1	825337984	KFMGIDWJMRNWIR-LBPRGKRZSA-N	300.805	3.099	10	20	DGCD	
C1=C[C@H]2O[C@H]1[C@@H]1CN(Cc3ccc(N4CCCCC4)cc3)C[C@@H]12	824839176	VYSJFWFAVAOTLR-IYWMVGAKSA-N	310.441	3.062	10	20	DGCD	
CC[C@H](NC[C@@H]1CCN1C)c1ccc(Cl)c(Cl)c1O	903316240	BSXMSOUKWGREEP-CABZTGNLSA-N	303.233	3.444	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837606364	URGAWBYYUXJROU-IMJJTQAJSA-N	315.413	3.136	10	20	DGCD	
CC[C@@H](C)CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	733312858	IJTVTEMGXWMTQZ-CQSZACIVSA-N	324.490	3.093	10	20	DGCD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(O)cc1O	910950468	FTTLFJDTRXLVSQ-VMGRFDJRSA-N	321.417	3.088	10	20	DGCD	
C[C@@H]1CCc2sc(C(=O)NCc3ccc(O)cc3O)cc2C1	910958797	VBPPETNFXZYIPG-SNVBAGLBSA-N	317.410	3.214	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCCC[C@H]2F)c1O	840961568	BKAJNRFBIXCDDO-GHMZBOCLSA-N	302.733	3.324	10	20	DGCD	
CCCn1c(Sc2nccs2)nnc1-c1ccncc1	914863014	TXTBGTJNVBTSQX-UHFFFAOYSA-N	303.416	3.358	10	20	DGCD	
Nc1ccc(CCNC(=O)N(CC2CCC2)CC2CC2)cc1	841957896	FIGRLDIRQXQLKA-UHFFFAOYSA-N	301.434	3.033	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccccc1O)c1c(F)cccc1F	748460321	NXUDPUNMILQBIP-SNVBAGLBSA-N	306.312	3.231	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(Cl)cc1O	842881981	MWAXBKZGDOJDHS-ZWNOBZJWSA-N	310.825	3.096	10	20	DGCD	
CC[C@@H](Cc1ccccc1)NC[C@@H](N)c1ccc(N(C)C)cc1	841046146	WZKXDEPBCVRUFZ-AZUAARDMSA-N	311.473	3.363	10	20	DGCD	
CC(=O)Nc1cccc(CNCc2ccc(N(C)C)cc2C)c1	840929753	FPVHIBOWOZSAOK-UHFFFAOYSA-N	311.429	3.309	10	20	DGCD	
CCc1cccc(CN2CCC(C(=O)N(C)C(C)C)CC2)c1O	848882737	ZQPIFTWLVZQSSF-UHFFFAOYSA-N	318.461	3.033	10	20	DGCD	
CCS(=O)(=O)CCCN[C@@H](C)c1ccc2ccccc2c1O	840888227	DIOZSZUHMHKHSM-ZDUSSCGKSA-N	321.442	3.021	10	20	DGCD	
CCOc1ccc(CN2CCCc3cc(CN)ccc32)c(O)c1	843057781	UYBZNPHEVVDYOC-UHFFFAOYSA-N	312.413	3.202	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](c2ccsc2)N(C)C)c1O	846138211	ZLRBYJOXGCXMBS-DOMZBBRYSA-N	320.458	3.416	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](c2cnn(C)c2)C(C)C)c1	927072684	YRHUTQRBJMLWNV-PXAZEXFGSA-N	303.406	3.182	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1CO	857062221	ZCZGJLHJOUCBRJ-MWLCHTKSSA-N	304.217	3.149	10	20	DGCD	
C[C@@H](NCCOC1CCC1)c1ccc(Br)cc1O	756837268	GBGXAJJYQCQRBF-SNVBAGLBSA-N	314.223	3.374	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2C[C@@H]2C)cc1	858486609	WWJMYQULQUUKCS-SUMWQHHRSA-N	324.424	3.221	10	20	DGCD	
CC[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1	866465790	VKIYWPRTXUYCPQ-BPNCWPANSA-N	304.356	3.105	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)C3=CCOCC3)c2C)c1	863162254	ZUDUEINJGFQEQI-UHFFFAOYSA-N	324.424	3.365	10	20	DGCD	
Oc1cccc(Br)c1CN[C@@H]1CCCc2c[nH]nc21	1118855160	AWLPTKOIGCPHLI-GFCCVEGCSA-N	322.206	3.045	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCc2ccccc2C1	779521639	YWRLAQIWZORMBV-YYRKOSNBSA-N	323.392	3.032	10	20	DGCD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1ccc(N)cc1)CCC2	1117955324	NCVLRRSNMFXOCX-HNNXBMFYSA-N	313.405	3.245	10	20	DGCD	
COc1ccsc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773026738	TXNLOINYIRTYJO-LLVKDONJSA-N	304.415	3.314	10	20	DGCD	
CCOC(=O)[C@H](CC)N(Cc1cc(C)c(C)cc1O)C1CC1	787438578	CMSLZGPBKNWUAJ-INIZCTEOSA-N	305.418	3.315	10	20	DGCD	
COc1cc(NC(=O)NCc2ccccc2O)ccc1Cl	788757892	LFOOSMKOGMHQQB-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
CC[C@@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1	783673775	NNCAEKGAVZHIBO-ZDUSSCGKSA-N	320.385	3.430	10	20	DGCD	
COc1ccc(O)c(CNCCc2ccc(SC)cc2)c1	798086366	KRFFSTOVFVYXAV-UHFFFAOYSA-N	303.427	3.455	10	20	DGCD	
CC[C@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1O	796837324	WOFGEKQBNWATDA-ZBFHGGJFSA-N	323.408	3.300	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1ccc(F)cc1O)NC(=O)OC(C)(C)C	192689063	IAXFMPLXHXSMSP-QWRGUYRKSA-N	312.385	3.095	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ncccc1Cl	794336365	NMJLZUQZKDUHGC-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
C[C@H](NC(=O)Nc1cncc(F)c1)c1ccc(N(C)C)cc1	799234291	PWRALECVNZCDBB-NSHDSACASA-N	302.353	3.169	10	20	DGCD	
Cc1cccc(CC(=O)Nc2c(Cl)ccc3nonc23)c1	1326698255	MQKBMNPMGXCSDP-UHFFFAOYSA-N	301.733	3.366	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](CCO)C1CCOCC1	1325506487	PZNZITIEBGZUJG-KBMXLJTQSA-N	319.445	3.016	10	20	DGCD	
C[C@@H](c1ccccc1)N(C)c1nnc(-c2sccc2O)n1C	1339574285	TXFAJSLHSRXDGA-NSHDSACASA-N	314.414	3.447	10	20	DGCD	
CC(C)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(F)F	1344433246	RFNLWYGSAHFFOC-UHFFFAOYSA-N	324.375	3.388	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N(C)Cc1ccccc1	1340902308	GVSOGZQZLRJQMS-UHFFFAOYSA-N	314.414	3.369	10	20	DGCD	
Cc1ccc(F)cc1COc1ccc(N(C)C)c(C(=O)O)c1	1600430106	HYXLPZJSFVFHPM-UHFFFAOYSA-N	303.333	3.477	10	20	DGCD	
Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)ccc1C(=O)O	1600272051	YYQOJTZYSCQLIJ-LLVKDONJSA-N	314.341	3.282	10	20	DGCD	
Cc1nc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)no1	1600679035	YLKPXTFWRHOTPF-UHFFFAOYSA-N	314.297	3.224	10	20	DGCD	
CCN(C)c1ccc(CN2[C@H](C)CC[C@@H](C(=O)O)[C@H]2C)cc1	1776855597	OREDHMOYMSJQCG-CKEIUWERSA-N	304.434	3.216	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC1(CCOC)CC1	161176703	CYINHYWANBGNHY-UHFFFAOYSA-N	320.433	3.131	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1	164537662	OFYVKLGKVSSKBW-VQIMIIECSA-N	314.473	3.458	10	20	DGCD	
Cc1cccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1F	180522952	KWICYCAVQYPDDG-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@@H]1C	105312003	NCGDORPOSKARNB-YOEHRIQHSA-N	303.450	3.473	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CSc3ccccc32)cc1	118195711	LXWVXWAAOCDINV-INIZCTEOSA-N	312.438	3.258	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1	305147696	SHEIYFMNWZIUOA-QGZVFWFLSA-N	306.425	3.065	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCN(CC(C)C)CC2)c1O	315285696	CNINNEAETDVMLN-UHFFFAOYSA-N	324.852	3.022	10	20	DGCD	
CCC(O)(CC)CN[C@H](C)c1cc(Br)ccc1O	185231198	FNTNOSQVPWRJFZ-SNVBAGLBSA-N	316.239	3.356	10	20	DGCD	
CCOc1ccccc1N(C)Cc1cc(OC)c(OC)cc1O	188694626	YDPGDQWQCKAHKC-UHFFFAOYSA-N	317.385	3.445	10	20	DGCD	
COc1cc(N(C)Cc2cc(F)ccc2O)cc(OC)c1OC	180757559	LAOQFZGXQXXBBZ-UHFFFAOYSA-N	321.348	3.194	10	20	DGCD	
COc1cc(NCc2ccc(N(C)C)cc2)ccc1NC(C)=O	121264714	FOAXBRLVKYCBFI-UHFFFAOYSA-N	313.401	3.332	10	20	DGCD	
C[C@@H](NC[C@H]1CCCC[C@@H]1O)c1cc2c(cc1O)CCCC2	185531554	QWBGWQBSOZDKOI-QBIMZIAESA-N	303.446	3.473	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CCO)c2ccco2)cc1F	184503258	IYERYSMBGSUVNG-INIZCTEOSA-N	320.408	3.478	10	20	DGCD	
Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2)c(Cl)n1	181723429	BGZKHRMLDBDQEC-UHFFFAOYSA-N	317.820	3.348	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2ccccc2)CC1	188908683	SMBWZQNKIFBGTM-UHFFFAOYSA-N	322.408	3.210	10	20	DGCD	
Cc1ccc(C(=O)NC[C@H](C)Cc2cccs2)c(O)c1O	182506282	NCYKCCDQZPDEEI-SNVBAGLBSA-N	305.399	3.076	10	20	DGCD	
CCC(CC)[C@@H](CN[C@H](C)c1ccccc1O)N1CCOCC1	183406650	DREGTUQBPUZIAD-CRAIPNDOSA-N	320.477	3.180	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(C(=O)N(C)C)c(C)c2)c1	194919295	XNZYFBWIRFQPLF-UHFFFAOYSA-N	314.385	3.023	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCN3CCCC[C@@H]23)cc1	236973825	HRRIENRDMWBKFM-MOPGFXCFSA-N	301.478	3.249	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc([S@@](C)=O)cc1	268897386	ZDTQKOQIELWCMB-MCMMXHMISA-N	315.438	3.210	10	20	DGCD	
Cc1nnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)s1	271484211	YLFUTQPMCIOLBJ-UHFFFAOYSA-N	304.463	3.323	10	20	DGCD	
Cc1cccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1O	271812870	LFUQUNMLXDNWNP-YEJXKQKISA-N	303.427	3.289	10	20	DGCD	
C[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(N(C)C)cc1	276229293	MXPQSUFKXSMPTA-LLVKDONJSA-N	322.346	3.320	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O	377834122	JEKZWTZMFQFTOX-HOTGVXAUSA-N	319.445	3.430	10	20	DGCD	
CCOc1cccc(S(=O)(=O)Nc2ccc(O)cc2CC)c1	282116112	KDPNTPYOJQLKDS-UHFFFAOYSA-N	321.398	3.154	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCO1	298628463	UJWJQTUQGHNMTP-QGZVFWFLSA-N	304.434	3.059	10	20	DGCD	
CCC[C@@]1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOC1	807141849	WPXTVEHVYNVFSD-RDTXWAMCSA-N	319.449	3.072	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C1[C@@H]2CCC[C@@H]12	807837000	XGIVIKHYKDIYRO-NXEZZACHSA-N	300.185	3.361	10	20	DGCD	
CN(C)C[C@H](N[C@H]1CCc2cccc(O)c21)c1ccc(F)cc1	297470466	YPFINBHKLJVGAA-IRXDYDNUSA-N	314.404	3.411	10	20	DGCD	
CN(CC1CCCCC1)C(=O)COc1ccc(N(C)C)cc1	810002444	XMWAIBOVGRDDHU-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
C[C@@H](NC[C@@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1O	815562155	YNUXXUAMJBPNJY-YGRLFVJLSA-N	316.367	3.402	10	20	DGCD	
COc1cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)cc1C	811792390	OHTLQGPXFNAZAP-SJLPKXTDSA-N	317.429	3.243	10	20	DGCD	
OC[C@H](NCc1cc(Cl)c(F)cc1O)c1cccc(F)c1	816550311	NVQUHSWSMPIMQA-AWEZNQCLSA-N	313.731	3.147	10	20	DGCD	
CC(C)[C@H](CNCc1cc(Cl)c(F)cc1O)N1CCCC1	816534265	CPNCOPDBCJUQLG-HNNXBMFYSA-N	314.832	3.395	10	20	DGCD	
CC[C@]1(CNC(=O)c2cc(O)cs2)OCCc2ccccc21	811588670	AVWVOEBACTZZBU-QGZVFWFLSA-N	317.410	3.062	10	20	DGCD	
Cn1ncc(C2CC2)c1CNCc1ccc2ccccc2c1O	827251657	KCPYCUKWHJGYLJ-UHFFFAOYSA-N	307.397	3.446	10	20	DGCD	
CC[C@@H](C[C@H](C)CO)NCc1ccc(Br)cc1O	825316751	ZQAPNCROBKURKM-GWCFXTLKSA-N	316.239	3.041	10	20	DGCD	
CCO[C@@H]1CCC[C@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1O	825284702	YXUWAUUAHIKSQD-DGCLKSJQSA-N	314.769	3.001	10	20	DGCD	
CC(C)C[C@H](CNCc1ccc2c(c1)CCCO2)CC(=O)O	900026279	GSYGMUBAZJVJSQ-HNNXBMFYSA-N	305.418	3.238	10	20	DGCD	
CN(c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])C(C1CC1)C1CC1	737500284	JJGHCPSULFHJNK-OQFOIZHKSA-N	316.357	3.317	10	20	DGCD	
Cc1ccc([C@H](NCc2ccc3c(c2)CCO3)C(=O)O)cc1C	901847707	AREJKGZWZJIXLO-SFHVURJKSA-N	311.381	3.154	10	20	DGCD	
C[C@@H](CCC[C@@H](C)C(=O)O)NCc1ccc2c(c1)CCCO2	900022591	JUXOGUDELCCCQM-KGLIPLIRSA-N	305.418	3.381	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC(C)(C)C2CCC2)c1	838474249	HSGQNHUYSHCKOX-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
CC(=O)c1cc(F)cc(CNC2(C(=O)O)CCCCCC2)c1O	833400872	OXXQRRUEPFKUEA-UHFFFAOYSA-N	323.364	3.001	10	20	DGCD	
S=C(NNc1ccccc1Cl)Nc1ccc2c(c1)OCO2	735233889	VOFGDEFRTDKOQJ-UHFFFAOYSA-N	321.789	3.382	10	20	DGCD	
C[C@H](NC(=O)OC1CCCC1)c1ccc(N2CCOCC2)cc1	830200895	YLFFVMKZZCUSNZ-AWEZNQCLSA-N	318.417	3.253	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC2CC(F)(F)C2)c1	834909764	TZRIWLNTUONYJN-SNVBAGLBSA-N	313.344	3.265	10	20	DGCD	
CC[C@@H](NCc1cc(Br)ccc1O)[C@H](O)C(C)C	840967388	MDVPIHLDKGKQGV-TZMCWYRMSA-N	316.239	3.040	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCCC[C@@H]1[C@@H]1CCCN1	843047981	GDXYAKHFROVLAG-RBUKOAKNSA-N	301.478	3.168	10	20	DGCD	
CCCC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	844601688	HMXJRHMXOAUQDP-HNNXBMFYSA-N	318.461	3.464	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)OCCCF)cc1F	841483871	MLQJUZQYUGWPIL-UHFFFAOYSA-N	300.349	3.258	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC([C@@H](C)CO)CC2)cc1	846058499	QDKKKEIQNLORHN-INIZCTEOSA-N	304.478	3.373	10	20	DGCD	
CCc1cccc(CNC[C@H](O)c2c(F)cccc2F)c1O	848897042	MHDMBNVIAYWJEE-HNNXBMFYSA-N	307.340	3.056	10	20	DGCD	
CC1=C(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1	746821048	LYOJOOXVNKNYCD-HNNXBMFYSA-N	314.429	3.201	10	20	DGCD	
S=C(NCc1ccc(N2CC=CC2)cc1)NC1CCCCC1	740628572	FWMSPSGGWHIBRZ-UHFFFAOYSA-N	315.486	3.360	10	20	DGCD	
C[C@H](NCCCNC(=O)C1CCC1)c1ccc(Cl)cc1O	841752883	VJCRLVYMODQYKK-NSHDSACASA-N	310.825	3.003	10	20	DGCD	
CCOC(=O)c1ccc(NCc2c(O)cccc2Cl)cn1	758449469	OEZPUYDVVBJSIM-UHFFFAOYSA-N	306.749	3.229	10	20	DGCD	
Cc1cccc(NCCN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)n1	756746195	IOEKDYMBGDHKQB-RISCZKNCSA-N	315.392	3.485	10	20	DGCD	
Cc1ccc([C@H](C)NC2CN(C(=O)OC(C)(C)C)C2)c(O)c1C	756650012	SVAIDIQYKHNZLX-ZDUSSCGKSA-N	320.433	3.279	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2C[C@@](C)(OC)C2(C)C)c1O	761206552	KWCNJZHLKWFZFC-CZUORRHYSA-N	313.825	3.347	10	20	DGCD	
C[C@@H]1Cc2ccccc2N(Cc2cc3c(cc2O)OC[C@H]3O)C1	768463287	QZQPLHXKPVMWBL-KZULUSFZSA-N	311.381	3.017	10	20	DGCD	
COC/C=C/C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863161790	KHGDGNLWQZOESM-RMKNXTFCSA-N	312.413	3.221	10	20	DGCD	
COCC(C)(C)CCCNC(=O)N[C@H](C)c1ccccc1O	868611885	NDPVPSLYCWEMEF-CYBMUJFWSA-N	308.422	3.205	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@@H](F)c1ccccc1	769581684	YEMSHYGKSRNMDB-LBPRGKRZSA-N	310.419	3.452	10	20	DGCD	
CC[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)N(CC)CC	769564022	QPQVACVPCVCOQN-QGZVFWFLSA-N	318.461	3.008	10	20	DGCD	
Cc1ccc(CNc2ccc(OCCN(C)C)cc2)c(O)c1	876836400	WIWORHITODSXRJ-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1	768286481	LGYLNBYOYBDTIP-NEPJUHHUSA-N	321.298	3.229	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1	873265953	YGLOYONHFORDCN-ONIAQPFYSA-N	301.478	3.324	10	20	DGCD	
CCC[C@H](CNCc1ccc(N2CCSCC2)cc1)OC	876942950	JUMUCXCEYQLBCO-QGZVFWFLSA-N	308.491	3.145	10	20	DGCD	
COc1cccc(C(=O)N(C)c2ccc(N)cc2)c1OC(C)C	877074457	KYAZWFCTJAXOQL-UHFFFAOYSA-N	314.385	3.341	10	20	DGCD	
CCOc1ccc(CN[C@H]2CCO[C@H](CC(C)C)C2)c(O)c1	776948543	FKSXFNCWOLXYMZ-DOTOQJQBSA-N	307.434	3.474	10	20	DGCD	
CS[C@H](CNCc1ccc(N2CCOCC2)cc1)C(C)(C)C	784625516	GEAWYGQNTSJODN-QGZVFWFLSA-N	322.518	3.391	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cccc(Cl)c2)c(O)c1	794761941	LVQMXAATKWGXSV-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1c1cccc(Cl)c1	798082936	HJACBTWDRPIBOZ-LSDHHAIUSA-N	316.788	3.401	10	20	DGCD	
Cn1c(O)nc2ccc(NCc3c(O)ccc(Cl)c3F)cc21	799740461	ONQVDQWSHQIREL-UHFFFAOYSA-N	321.739	3.389	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C	1319513177	OVOCPCSNNCQDIW-AWEZNQCLSA-N	304.434	3.107	10	20	DGCD	
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCCC2)cc1	1254039865	IWPAWDPNBOSHJR-UXHICEINSA-N	313.489	3.345	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cnc(C2CC2)s1	1261140226	LTMRXROXSIKRCO-UHFFFAOYSA-N	320.761	3.462	10	20	DGCD	
CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc(C(=O)O)ccc2O)C12CCC2	1610034665	UBSMXLTVBNFHKB-IUIKQTSFSA-N	319.401	3.089	10	20	DGCD	
CN(C)c1ccc(CNC[C@]2(C(=O)O)CC3CCC2CC3)cc1	1777040217	FNNWTHNIDPZOFR-GSQSYGFSSA-N	316.445	3.123	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCCCC2(C)C)c1	151209149	HVSHIPHVKQSNBT-HNNXBMFYSA-N	306.406	3.169	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1COc2ccccc21	172013127	DTDKULDJMRARJO-SFHVURJKSA-N	322.408	3.079	10	20	DGCD	
COCCC1(CNC(=O)N(C)Cc2ccccc2O)CCCC1	119083951	VOTXFFLJKQXPLS-UHFFFAOYSA-N	320.433	3.131	10	20	DGCD	
CCC(CC)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	62574847	KGBIWEZRDJEWML-CQSZACIVSA-N	304.434	3.074	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c(O)c1O	181938432	UJTLXZTVWWIMOT-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
CC[C@@H](CO)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	188278187	FAQKLIIONLQWFH-AWEZNQCLSA-N	320.820	3.248	10	20	DGCD	
Cc1cc(C(=O)NC2CCOCC2)c(C)n1-c1ccc(F)cc1	64997559	XXDGGQDRAGPSLJ-UHFFFAOYSA-N	316.376	3.142	10	20	DGCD	
CCC(CC)(CC)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	126357870	QRGCCWGPAPHTMN-UHFFFAOYSA-N	319.493	3.269	10	20	DGCD	
COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccccc1O	183384682	XCWGQLSUGQEQAG-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
C[C@H](NCC(C)(C)CCO)c1ccc(Br)cc1O	185609295	DBIMFVJLZMBVLP-JTQLQIEISA-N	316.239	3.214	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1ncnc2onc(C)c12	192498991	GIMJIZSSHXXMJV-UHFFFAOYSA-N	311.389	3.019	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CC2CCSCC2)cc1F	135431697	PKPQHWSVMYRVQI-UHFFFAOYSA-N	310.438	3.041	10	20	DGCD	
Cc1ccc(SCCNC(=O)Cc2ccc(N)cc2)cc1	237772580	WJHUNCNQBYNUKV-UHFFFAOYSA-N	300.427	3.028	10	20	DGCD	
Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3)c(C)n1-c1ccccc1	262660591	YWJXLBTYULGJBN-SJORKVTESA-N	323.440	3.061	10	20	DGCD	
Cc1noc([C@@H]2CCCN(Cc3c(O)cccc3Cl)C2)n1	271105413	VLWOKDVKRYPVFR-LLVKDONJSA-N	307.781	3.117	10	20	DGCD	
CCOc1cccc(CN2CCC3(CC(OCC)C3)C2)c1O	289972855	ZMKSCRAWRLXYGD-UHFFFAOYSA-N	305.418	3.182	10	20	DGCD	
CN(C)c1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1	281828567	XPFQHIHHARPQRM-HXUWFJFHSA-N	310.441	3.066	10	20	DGCD	
CCCCN(Cc1nc([C@@H](C)OC)no1)Cc1ccccc1O	282545946	WMMVTYZQFZEGGM-CYBMUJFWSA-N	319.405	3.285	10	20	DGCD	
C[C@H](NCCN(C)Cc1ccccc1)c1ccc(F)cc1O	185111387	AJIVYVHCPXMZHG-AWEZNQCLSA-N	302.393	3.314	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)c1ccccc1	288547149	LFUYYPRMTYRPCV-FZKQIMNGSA-N	302.393	3.103	10	20	DGCD	
CCOC1(C(=O)NCc2c(C)c3ccccc3n2C)CCCC1	556438300	XIAHEFUZYSTVRD-UHFFFAOYSA-N	314.429	3.452	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@H]2CCCOC2)c(C(F)(F)F)c1	809693014	LWUGIBXFNIDULH-AWEZNQCLSA-N	316.367	3.382	10	20	DGCD	
Cc1cc(C)cc([C@@H](O)CNCc2cc(Cl)ccc2O)c1	800898128	RZDKHDYEVZCLPS-KRWDZBQOSA-N	305.805	3.486	10	20	DGCD	
CCN(CC(=O)N1CCCCCC1)Cc1cccc(Cl)c1O	809713806	MBWWIMQXOHWCAQ-UHFFFAOYSA-N	324.852	3.270	10	20	DGCD	
COCCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	299321650	IYBFCIXWQDCFSX-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
COc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2F)c(O)c1	812475087	SOSJIICKIZBRMA-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
C[C@H](NCCCNC1CC1)c1ccc(Cl)c(Cl)c1O	817984367	RHFMFSKBWCSKLQ-VIFPVBQESA-N	303.233	3.492	10	20	DGCD	
CN(C)c1ccc(CN2CCCc3n[nH]cc32)c(C(F)(F)F)c1	811497482	OZUUOGQGENSXRJ-UHFFFAOYSA-N	324.350	3.447	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(O)ccc2Cl)c1	810348416	VXQXEUUDFBXVPZ-VIFPVBQESA-N	321.760	3.251	10	20	DGCD	
CCC(CC)(CNCc1cc(Cl)c(F)cc1O)C(=O)OC	816565547	SPWCIAYNTJMNSG-UHFFFAOYSA-N	317.788	3.254	10	20	DGCD	
CCc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)nn1C	817687970	QHVUXIBNHOTLHM-UHFFFAOYSA-N	323.400	3.037	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccsc1	839917041	YHIKYGYPAWMVEL-ZDUSSCGKSA-N	302.443	3.484	10	20	DGCD	
COCc1csc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	832435605	CKEZXPVGAAONDU-LBPRGKRZSA-N	318.442	3.452	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)C[C@H](C)C1	734687958	ZQTZWYTYBKWOHG-KBPBESRZSA-N	303.450	3.249	10	20	DGCD	
C[C@H]1CSCCN1Cc1c(O)c(C(=O)O)cc2ccccc12	736825987	PGRRQIXLFICHKW-NSHDSACASA-N	317.410	3.181	10	20	DGCD	
C[C@H]1CC[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	839146314	CIEYUINARLTKTA-GXTWGEPZSA-N	310.388	3.080	10	20	DGCD	
CCN(CC(=O)N1CCc2ccccc2C1)c1ccc(OC)cc1	746109969	YFORZVSLMGMVNQ-UHFFFAOYSA-N	324.424	3.106	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](CCN(C)C)C(C)(C)C)c1O	846142714	CCCWKOMFITVRIE-XJKSGUPXSA-N	308.466	3.418	10	20	DGCD	
C[C@H](N[C@H]1CO[C@H](C)C1)c1cc(Br)c(F)cc1O	842928291	JAIDBDXORDAAFM-HRDYMLBCSA-N	318.186	3.122	10	20	DGCD	
Cc1ccsc1CCNC(=O)NCc1cc(Cl)ccc1O	845093681	ZRZWKTXZIDHXFH-UHFFFAOYSA-N	324.833	3.457	10	20	DGCD	
C[C@H](NCc1ncnn1C(C)(C)C)c1ccc(Cl)cc1O	841754144	ZWQZDNSZCBLQAH-JTQLQIEISA-N	308.813	3.243	10	20	DGCD	
COc1ccc(N(C)CCN(C)C[C@@H]2CC2(Cl)Cl)cc1	844399146	HMEUNBZWOQNAPJ-LBPRGKRZSA-N	317.260	3.257	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](CC(=O)O)C2)cc1F	840995766	TZVNTGMRVLJLIT-AWEZNQCLSA-N	322.424	3.359	10	20	DGCD	
Cn1cc(Cl)cc1C(=O)NCc1c(O)ccc2c1CCCC2	743717267	JUHYWDRJLWOTNT-UHFFFAOYSA-N	318.804	3.193	10	20	DGCD	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cccc(O)c1O	758560084	UWRRREGPVMFPEG-JTQLQIEISA-N	317.297	3.232	10	20	DGCD	
CCCCN(CC(=O)NCC(C)(C)C)Cc1ccccc1O	859296405	IQGCPKXKKJMIMK-UHFFFAOYSA-N	306.450	3.157	10	20	DGCD	
CCOCSc1ncc(-c2ccc3c(c2)OCCO3)n1CC	758362554	QKXMQFSATOVRDT-UHFFFAOYSA-N	320.414	3.427	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NCCC(C)(C)F)ccc21	852552841	GELWDCMLXFFEDK-UHFFFAOYSA-N	307.413	3.006	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Cl)c(F)c1	755010951	FWHDJCIURBMSTP-UHFFFAOYSA-N	324.739	3.255	10	20	DGCD	
CC[C@]1(C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	758802084	IYPFTWYUMJDDGG-LJQANCHMSA-N	313.445	3.394	10	20	DGCD	
CCOc1cccc(CNC(=O)N[C@H](C)c2ccccc2O)c1	868056489	IESAJDUJBLZOKL-CYBMUJFWSA-N	314.385	3.351	10	20	DGCD	
Cc1c(NC(=O)c2cc(O)cs2)cnn1-c1ccccc1F	772534054	LCFJITFJISECSS-UHFFFAOYSA-N	317.345	3.339	10	20	DGCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1c(F)cccc1F	779501068	UCHQJCZTYVBKPD-QEHWCHDUSA-N	319.307	3.267	10	20	DGCD	
Cc1cccc(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)c1O	775709588	VBFRRGMQPQGXQD-GOSISDBHSA-N	324.424	3.328	10	20	DGCD	
CCOC(=O)C[C@@](C)(NCc1ccc2c(c1)CCO2)C(C)C	775375815	WXOIIRREWKKZCS-GOSISDBHSA-N	305.418	3.079	10	20	DGCD	
Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)sc1C	770721687	NACVZPKDYFTZLD-NSHDSACASA-N	303.431	3.317	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1CCOc2ccccc21	882990008	RRFBZDAAQONVPJ-NSHDSACASA-N	305.324	3.326	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC2(CCC2)[C@@H]1C1CCOCC1	895056743	ASXRCOXTMLUZSO-KRWDZBQOSA-N	323.383	3.452	10	20	DGCD	
COc1cc(C)cc(CNc2ccc3c(c2)NC(=O)CC3)c1O	894410020	JGXQJUYGTYPKFT-UHFFFAOYSA-N	312.369	3.206	10	20	DGCD	
Cc1nc2cc(NC(=O)c3cccc(O)c3O)ccc2s1	790927433	HFINPVDYIXXIFQ-UHFFFAOYSA-N	300.339	3.268	10	20	DGCD	
COC(=O)c1ccc(COc2ccc(N(C)C)cc2)c(F)c1	798220360	YPFJUTPMLOBAST-UHFFFAOYSA-N	303.333	3.257	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccn2ccnc2c1	798197913	ITDGFNPOQYZDJP-UHFFFAOYSA-N	324.384	3.484	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCc1ccc2c(c1)CCO2	790955751	XYGNTKOLVYWRAF-UHFFFAOYSA-N	307.752	3.409	10	20	DGCD	
CC(C)(CF)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	1320627648	FGGBMQHPJARQEK-UHFFFAOYSA-N	309.385	3.423	10	20	DGCD	
Cn1nnc2cc(NCc3ccc(N4CCCC4)cc3)ccc21	1328386615	GNJZOFGKKHZAQZ-UHFFFAOYSA-N	307.401	3.181	10	20	DGCD	
CCS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1336847789	HWAQAYZFRDCRIH-HUUCEWRRSA-N	307.463	3.132	10	20	DGCD	
COc1ccc(OC(C)(C)C(=O)Oc2ccc(N)cc2)cc1	1579230822	BULNRUISSMSZSX-UHFFFAOYSA-N	301.342	3.040	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)cc2F)cc1OC	1599584569	YIRJZVGIXXFIDY-UHFFFAOYSA-N	319.332	3.178	10	20	DGCD	
Oc1c(Br)cccc1CNCCC[C@H]1CCOC1	402351112	ZRMJPMSWZMKTTO-NSHDSACASA-N	314.223	3.061	10	20	DGCD	
CC(=O)c1ccc(NCc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1	7366183	ZCITZZPSYCAJJL-UHFFFAOYSA-N	313.357	3.476	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c(O)c1O	179391154	LAWHYXKSRWYZIT-VIFPVBQESA-N	307.296	3.175	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)COc1ccccc1C	115280669	KZVMKBSZEXXICM-UHFFFAOYSA-N	312.413	3.065	10	20	DGCD	
Cc1nc(N(C)Cc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-]	301651620	QFNJTLGBIDOZFI-UHFFFAOYSA-N	300.362	3.001	10	20	DGCD	
CNC(=O)C(C)(C)CN[C@@H](C)c1ccc(N2CCCCC2)cc1	183222100	VQZHPNOKMDCGED-HNNXBMFYSA-N	317.477	3.100	10	20	DGCD	
C[C@H](N[C@H]1CCc2[nH]ncc2C1)c1ccc2ccccc2c1O	186115268	YDKUPSAGMHRQQP-WFASDCNBSA-N	307.397	3.477	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21	314705432	JZZURUNKHNMUHH-RDBSUJKOSA-N	304.434	3.143	10	20	DGCD	
Cc1cccc(CN2CCO[C@H](c3cccc(F)c3)C2)c1O	180024650	WYOOIAFQZNTBDI-KRWDZBQOSA-N	301.361	3.413	10	20	DGCD	
CCn1cc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1	183374231	OQSWBQZYWPUBLY-CYBMUJFWSA-N	318.396	3.052	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)c(N)c1	320993348	MXZKYVRPEAKNJH-UHFFFAOYSA-N	315.392	3.136	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2C2CC2)cc1	190151793	FEXAEKLSJMRYHA-UHFFFAOYSA-N	312.417	3.063	10	20	DGCD	
COc1ccc2ccc(O)c(CN3C[C@H](C)OC[C@H]3C)c2c1	43751591	BRBIVJKQPFIOQF-OLZOCXBDSA-N	301.386	3.163	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)COC	97989741	HRWPPNZLFFQABJ-JTQLQIEISA-N	302.212	3.012	10	20	DGCD	
CCSc1nnc(Sc2ncc([N+](=O)[O-])s2)s1	144261443	OFAHEPLRQBUFEL-UHFFFAOYSA-N	306.419	3.166	10	20	DGCD	
Cc1cccnc1CN(Cc1ccccc1O)C[C@@H]1CCCO1	93193165	OEFXRBODIFSOPD-KRWDZBQOSA-N	312.413	3.277	10	20	DGCD	
CC(C)(C)OC(=O)NCCCCN[C@H]1CCc2cccc(O)c21	296579733	VWNQJHMFTRCAED-AWEZNQCLSA-N	320.433	3.274	10	20	DGCD	
CCN(Cc1cc(C(=O)OC)co1)c1ccc(OC)c(OC)c1	263811488	MYWWRUXYPHXIFZ-UHFFFAOYSA-N	319.357	3.110	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1cc(Br)ccc1O	273362082	ARPSNHRIPNTBGI-GARJFASQSA-N	314.223	3.230	10	20	DGCD	
Cc1nccn1CCN(Cc1ccc(N(C)C)cc1)C(C)C	270782723	ANRXDPNRSHXUBJ-UHFFFAOYSA-N	300.450	3.168	10	20	DGCD	
C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1O	370373366	JBCBKOOKPVNZDC-SJKOYZFVSA-N	300.377	3.369	10	20	DGCD	
COCCCN(Cc1ccncc1)Cc1ccc(N(C)C)cc1	289431399	KUAFAPIMIYAXIO-UHFFFAOYSA-N	313.445	3.186	10	20	DGCD	
CC(C)SCCN[C@H](C)c1ccc(N2CCOCC2)cc1	283268372	WNCWRAODBNDHPH-OAHLLOKOSA-N	308.491	3.315	10	20	DGCD	
CC[C@H](NCCN1CCSCC1)c1cccc(Cl)c1O	287783635	SICVLXWCVCHMRV-AWEZNQCLSA-N	314.882	3.135	10	20	DGCD	
Cc1nnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1	288413356	NLPHRRPGCHBDPU-NSHDSACASA-N	324.331	3.060	10	20	DGCD	
Cc1cccc(CN[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1O	284632781	NHUCQWUHBHOZCJ-YJBOKZPZSA-N	315.417	3.098	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)CC(F)(F)F)cc1	800010553	BALNDIJTRFLIEE-UHFFFAOYSA-N	317.355	3.237	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1C	290819802	GSMXLCJCWCYURR-OAHLLOKOSA-N	305.809	3.306	10	20	DGCD	
CC(C)(C[C@H]1CCCN(Cc2cccc(Cl)c2O)C1)C(N)=O	294677450	BFVWQHOETCHLOE-GFCCVEGCSA-N	324.852	3.159	10	20	DGCD	
CC[C@H](NC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O	810213167	NQUUNVPOIGNUQB-MFKMUULPSA-N	303.324	3.488	10	20	DGCD	
CCC[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	812504061	KEMOEKAXEZVVRC-HYVNUMGLSA-N	317.429	3.336	10	20	DGCD	
Nc1ccc(CCNC(=O)CC[C@H](N)CC2CCCCC2)cc1	818545266	TYVYMWKAVJDGKM-SFHVURJKSA-N	317.477	3.005	10	20	DGCD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCc1cc(Cl)c(F)cc1O	816555146	VJZZNZPZNUWYFT-VQISRLSMSA-N	313.800	3.478	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCOC3(CCC3)C2)c1	824751452	XJJXLWXLPCDEOP-KBPBESRZSA-N	305.418	3.401	10	20	DGCD	
CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(O)cs2)c1	731869206	CBBLZTQPYSGSGR-UHFFFAOYSA-N	304.371	3.363	10	20	DGCD	
O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(O)cs1	731865351	CAHOHUDDFGNEKZ-HNNXBMFYSA-N	316.426	3.021	10	20	DGCD	
C[C@H](NC[C@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1O	834881838	BQCWQSQYYQOYLE-STQMWFEESA-N	320.389	3.300	10	20	DGCD	
CCOc1ccc(CN[C@@H](COC)c2ccc(CC)o2)c(O)c1	742373753	IQVMLDKJVFNCGJ-INIZCTEOSA-N	319.401	3.424	10	20	DGCD	
Cn1cc(CNCc2cc(Cl)ccc2O)c(C(C)(C)C)n1	846057231	FSHMRPMQDLSLOL-UHFFFAOYSA-N	307.825	3.366	10	20	DGCD	
CN(CCOC[C@H]1CCCO1)c1ccc(-c2nccs2)cc1	846992717	LZGIFQMQZMKSBG-MRXNPFEDSA-N	318.442	3.442	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@H](SC)C3)c2c1	840115458	MBGZELJAKOAVEJ-AWEZNQCLSA-N	303.427	3.491	10	20	DGCD	
Cn1nc(CNCc2c(O)ccc(Cl)c2F)cc1C1CC1	922956069	UORGIBMPVLTVOB-UHFFFAOYSA-N	309.772	3.085	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1O	842886587	SQBMXTRIQKZHOL-KGLIPLIRSA-N	324.852	3.486	10	20	DGCD	
O=C(O)CC1(CNCc2cc(Cl)cc(Cl)c2O)CCC1	756308039	JMHQIMJZFKJUJR-UHFFFAOYSA-N	318.200	3.434	10	20	DGCD	
COC(=O)c1nccc(Sc2ncc(C(C)(C)C)s2)n1	853447095	QYMZCXMMMPMWBO-UHFFFAOYSA-N	309.416	3.168	10	20	DGCD	
O=C(CC[C@@H]1CCOC1)NCc1ccc(N2CCCCC2)cc1	751362331	SWGZDFGAMMUSLW-QGZVFWFLSA-N	316.445	3.110	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc(F)cc(F)c1O)CN1CCCCC1	756435030	SXCLZDLLVZQCQL-CHWSQXEVSA-N	312.404	3.443	10	20	DGCD	
CCSC1(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)CC1	852629855	YBBUOTYBOCOICE-LLVKDONJSA-N	324.446	3.047	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2c(C)noc2C)c1	756576268	ZBFCJGRSNYNDEM-VHSXEESVSA-N	318.373	3.195	10	20	DGCD	
CCCCCc1nnc(NC(=O)c2ccc(C)c(O)c2O)s1	751532419	AZUIFZVKXFLZMF-UHFFFAOYSA-N	321.402	3.243	10	20	DGCD	
CCCOC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	858910806	ZIZDYRGFAPRWHT-BETUJISGSA-N	324.396	3.076	10	20	DGCD	
C[C@@H]1[C@H](N2CCCC2)CCN1Cc1cc(F)c(N(C)C)cc1F	862366016	AJFUAOWMAAQBQO-CXAGYDPISA-N	323.431	3.089	10	20	DGCD	
CCOc1ccc(CN(C)Cc2cccc(N(C)C)c2)c(O)c1	769538861	YPCUGDRHJRJIGI-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
CCOc1ccc(N2CCN([C@H](C)c3cccnc3)CC2)cc1	1116418277	UTYVEIOUAPXDCD-MRXNPFEDSA-N	311.429	3.364	10	20	DGCD	
CCc1cccc(CNCc2cc3c(nc2O)CCCC3)c1O	877779566	YNSDZESJUISFJN-UHFFFAOYSA-N	312.413	3.224	10	20	DGCD	
C[C@@H](NCC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O	879649155	JRZZEXZVPABSCB-CQSZACIVSA-N	318.461	3.328	10	20	DGCD	
COc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1O	879647887	PGYPXXNFRHLPPJ-CHWSQXEVSA-N	314.385	3.079	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(F)cc(F)c2O)cn1	882905775	SZUGWXLLYAIBJH-UHFFFAOYSA-N	321.371	3.201	10	20	DGCD	
CCN(C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(OC)cc1	785465239	DYBDSCXVXNOMTJ-ZDUSSCGKSA-N	308.422	3.435	10	20	DGCD	
C[C@@H](NC[C@H](O)c1c(F)cccc1F)c1c(O)cccc1F	886550435	ZTVASUZNRBXMMG-OTYXRUKQSA-N	311.303	3.194	10	20	DGCD	
COc1ccc(OC)c(NCc2cc(C)cc(OC)c2O)c1	894116277	RBCBPWIMGNSNRS-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
CC[C@H](C)n1ncc(NC(=O)c2cccc(O)c2O)c1C1CC1	790907572	ITETURHDLDDXPH-JTQLQIEISA-N	315.373	3.395	10	20	DGCD	
C[C@@H](CCN(C)C)NCc1ccc(N(C)C)cc1C(F)(F)F	792948087	WFDASIXHGVFPGE-LBPRGKRZSA-N	317.399	3.201	10	20	DGCD	
CCOc1cccc(CNC[C@@H]2N(C)CCCC2(C)C)c1O	790483893	ACQRKWLMUNPLNE-INIZCTEOSA-N	306.450	3.001	10	20	DGCD	
C[C@H](N[C@H](CCO)Cc1ccccc1)c1cc(F)ccc1O	799728573	CKWOEPPKJUAMGC-XJKSGUPXSA-N	303.377	3.176	10	20	DGCD	
CC[C@@H](NCCCN1C[C@H](C)O[C@H](C)C1)c1ccc(F)cc1O	796680470	SPLLMPZQGQFJHB-JKIFEVAISA-N	324.440	3.071	10	20	DGCD	
Cc1nc([C@@H](C)NCc2cc(Cl)cc(Cl)c2O)no1	1329848670	JAMGGEKJFOFWNW-ZCFIWIBFSA-N	302.161	3.241	10	20	DGCD	
Cc1ccccc1[C@@H](C(=O)O)N1CCCc2cc(CN)ccc21	1600570451	XFVYTSHDFUKHLR-SFHVURJKSA-N	310.397	3.032	10	20	DGCD	
COc1ccc(N(Cc2ccc(C(=O)O)o2)CC2CC2)cc1	1777367063	FLVFSRPWWDHXEU-UHFFFAOYSA-N	301.342	3.403	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@](C)(CO)C2CCCCC2)c1	152759223	YHWWRWSCHWIFCG-SFHVURJKSA-N	307.434	3.212	10	20	DGCD	
CN(C)[C@@H](CNCc1cccc(Cl)c1O)c1ccccc1	159730107	KUSFURBKUGNZCV-INIZCTEOSA-N	304.821	3.438	10	20	DGCD	
C[C@@H](NC1CC(CNC(=O)OC(C)(C)C)C1)c1ccccc1O	895852636	YJPYUWWVWUCLMC-IYXRBSQSSA-N	320.433	3.346	10	20	DGCD	
CN(C)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)cc1F	113335980	XPLONRMUCFXGIE-UHFFFAOYSA-N	317.364	3.132	10	20	DGCD	
COCCOC[C@@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)C1	173397750	GPGQMOJRFOSVEA-MRXNPFEDSA-N	321.461	3.309	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H]2COC3(CCCCC3)O2)c(O)c1	186230621	QHAKACTYUQWQKB-CABCVRRESA-N	305.418	3.427	10	20	DGCD	
COc1ccc(N2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1	33470883	VXHDTDQPJXAFBC-GHXNOFRVSA-N	322.408	3.057	10	20	DGCD	
C[C@@H](N[C@H]1CCCC[C@@H]1O)c1cc(Br)ccc1O	185444785	YYJBEATWRPKHHR-LQJRIPTKSA-N	314.223	3.109	10	20	DGCD	
CCOc1cccc(CN(C)C[C@H](C)c2nccs2)c1O	183262514	GPABVWIZPSCYHJ-LBPRGKRZSA-N	306.431	3.483	10	20	DGCD	
Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1F	31727293	HNBOEPXWGXNJJY-UHFFFAOYSA-N	315.392	3.200	10	20	DGCD	
CSC[C@@H](CCO)N[C@H](C)c1ccc2ccccc2c1O	185530444	HYHNYFONJJPOPT-TZMCWYRMSA-N	305.443	3.310	10	20	DGCD	
CCc1ccc([C@H](C)CC(=O)NCc2ccc(O)c(O)c2)cc1	182514098	FURCFTPKOMQMRV-CYBMUJFWSA-N	313.397	3.470	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)CC1OCCO1	180217724	RPKJHQDOBZBAJH-HNNXBMFYSA-N	313.397	3.328	10	20	DGCD	
CSC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	264511835	NGAQGEKYVTYIJP-AWEZNQCLSA-N	308.491	3.489	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](C)C3)ccc21	264223163	WJBQYETVDVBSIN-ZDUSSCGKSA-N	314.429	3.387	10	20	DGCD	
CCOC(=O)COCCSc1ncc(C(C)(C)C)s1	164143234	QGJPVKFZMQGCBE-UHFFFAOYSA-N	303.449	3.112	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(C)ccc2O)[C@]12CCCO2	274274096	XDURTXNIISQXKK-VIBAHUMZSA-N	305.418	3.078	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)[C@H](OC)c2ccccc2F)c1	272378537	DGEGLXYOKCUWKB-SGTLLEGYSA-N	319.376	3.406	10	20	DGCD	
C[C@H](NC[C@@H]1CCCCO1)c1cc(Br)ccc1O	273299355	AYIBWQMUCMQIKO-JQWIXIFHSA-N	314.223	3.374	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1cccnc1	282564432	JXHUFRPMSFOEQL-UHFFFAOYSA-N	313.401	3.299	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2CC[C@@H](O)C2)c(C(F)(F)F)c1	280631223	QKGWDFKBAAEHNV-SMDDNHRTSA-N	316.367	3.022	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(F)cc1O	285524856	BHIWLCYARCEWNN-BJJXKVORSA-N	322.424	3.219	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H]2CCN(C)C[C@H]2C)cc1F	809766502	ZHYCBLLMVJZXTL-QAPCUYQASA-N	321.484	3.444	10	20	DGCD	
CN(C)C(=O)c1cccc(NCc2cc(Cl)c(F)cc2O)c1	816525109	FFLRXURHCNUOEF-UHFFFAOYSA-N	322.767	3.499	10	20	DGCD	
CC[C@@H](C)CONC(=O)N(CC)Cc1ccc(N(C)C)cc1	813827120	SSILEIRUJLLQRH-CQSZACIVSA-N	307.438	3.262	10	20	DGCD	
Cc1ccc([C@H](O)CNCc2ccc(N3CC=CC3)cc2)cc1	819094720	KMRYYVMAVRGOCK-HXUWFJFHSA-N	308.425	3.194	10	20	DGCD	
Cn1nccc1[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	816494319	GWGRWXYJHBRBQR-LLVKDONJSA-N	323.799	3.298	10	20	DGCD	
CCc1ccc(C)nc1NCc1cc(OC)c(OC)cc1O	826910449	ICVBZYXXOAYKPV-UHFFFAOYSA-N	302.374	3.287	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC(C)(C)CC2)cc1F	727033468	VLAAFYLOKXZWHL-UHFFFAOYSA-N	307.413	3.223	10	20	DGCD	
Cc1cc(NCc2ccc(N(C)C)c(F)c2)nc(C2CC2)n1	734835402	VQWRTEQGWPJUBS-UHFFFAOYSA-N	300.381	3.480	10	20	DGCD	
CCCCCCO[C@H](C)C(=O)NCc1cc(OC)ccc1O	839685018	SXGWBAQRDMSQKO-CYBMUJFWSA-N	309.406	3.002	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC23CCOCC3)cc1	836868399	FZLPGVPMKKTQLG-SFHVURJKSA-N	324.424	3.393	10	20	DGCD	
CC[C@@H](N[C@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C	846151192	VATTXWOJJAUFBV-DGCLKSJQSA-N	309.406	3.172	10	20	DGCD	
CSCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	745832465	PHIOLGFRNXPVFL-UHFFFAOYSA-N	323.506	3.426	10	20	DGCD	
CCC(CC)(CNC(=O)NCCc1ccc(N)cc1)SC	841842587	YIQDJOJDPMDHGM-UHFFFAOYSA-N	309.479	3.032	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@H](C(=O)O)C2)cc1	843304028	RDOMWGLVYZTQRF-JKSUJKDBSA-N	304.434	3.266	10	20	DGCD	
COc1cc(Br)cc(CN2CCC[C@H](F)C2)c1O	846119173	BOSIHHYWZZBTCC-NSHDSACASA-N	318.186	3.097	10	20	DGCD	
CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)Nc1ccc(N)cc1	841299216	XBHRGWAFHXSSNJ-CABCVRRESA-N	305.422	3.326	10	20	DGCD	
COc1cccc([C@@H](C)NCC[C@](C)(O)c2ccccc2)c1O	846164152	NLMWNVOQCSDBQQ-KUHUBIRLSA-N	315.413	3.349	10	20	DGCD	
CC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccncc1	845007289	GBDYXAPUMZJHFD-CQSZACIVSA-N	319.792	3.391	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](Cc2ccccc2)OC)c1O	846170993	QELUIJLZQXRHIE-HOCLYGCPSA-N	315.413	3.309	10	20	DGCD	
CCc1cccc(CN2CCN([C@@H](C)C(F)(F)F)CC2)c1O	848890611	SPKPTSNYFDHROO-LBPRGKRZSA-N	316.367	3.023	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@H]([C@@H]2CCCNC2)C1	843126298	ICKNULNJBMIEQK-KGLIPLIRSA-N	308.853	3.257	10	20	DGCD	
C[C@@H](N[C@H](C)C1(Cl)CC1)c1ccc(N2CCOCC2)cc1	924795910	RDUILZQAIBIJGY-ZIAGYGMSSA-N	308.853	3.334	10	20	DGCD	
CN(CCCN1CCOC1=O)c1ccc(-c2nccs2)cc1	846993434	QTRGRIMIZOCHPB-UHFFFAOYSA-N	317.414	3.089	10	20	DGCD	
C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1cc([N+](=O)[O-])ccc1O	757629700	FSKGFSNVQRZTEW-HZMBPMFUSA-N	308.378	3.297	10	20	DGCD	
CCC/C(C)=C\C(=O)NCc1ccc(N2CCOCC2)c(F)c1	920223023	YMIVYAKBMZZPDJ-KAMYIIQDSA-N	320.408	3.025	10	20	DGCD	
CC(C)(C)c1ccccc1S(=O)(=O)NCc1ccccc1O	751149005	HZIGVVORGCSBKC-UHFFFAOYSA-N	319.426	3.168	10	20	DGCD	
C[C@H]1SCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)[C@@H]1C	769445595	HKJQVAKWLGOATB-RKDXNWHRSA-N	316.810	3.280	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cn1cc(Br)cn1	766341894	UERVIXPXUHCJGI-UHFFFAOYSA-N	322.206	3.065	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](F)c1ccccc1	769475277	PAWNOUASCZMYEJ-KRWDZBQOSA-N	314.360	3.189	10	20	DGCD	
C[C@@H](NC[C@H](C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	765393504	KLYXMJVMCDJXQX-UONOGXRCSA-N	306.425	3.359	10	20	DGCD	
CN(Cc1ccc(N(C)C)c(F)c1)Cc1ccccc1[N+](=O)[O-]	768336053	GQRNKEIARCIHSD-UHFFFAOYSA-N	317.364	3.432	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2cc(Cl)cc(F)c2O)C[C@H]1C	775716684	ZTODSCGMCCKIFV-BXUZGUMPSA-N	314.832	3.489	10	20	DGCD	
Cc1ccsc1CCCC(=O)NCc1ccc(O)c(O)c1	778918813	WYXWXHRWGHMNIU-UHFFFAOYSA-N	305.399	3.107	10	20	DGCD	
CCOC(=O)c1cc(NCc2ccccc2O)ccc1[N+](=O)[O-]	774523082	DZLQNSYAAGBEOF-UHFFFAOYSA-N	316.313	3.089	10	20	DGCD	
C[C@@H](NC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1	773115495	ZGDOUHMMFMTXII-OAHLLOKOSA-N	311.429	3.356	10	20	DGCD	
COc1cc(C)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1	780520761	ROKBDTQGDUDKHS-UHFFFAOYSA-N	316.376	3.139	10	20	DGCD	
COC(=O)Nc1cccc(CN[C@H](C)c2ccccc2O)c1	797077235	VMFPVYZXNAMLOI-GFCCVEGCSA-N	300.358	3.421	10	20	DGCD	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccoc1	795555475	XXGZPYYMIAFVMY-UHFFFAOYSA-N	306.368	3.204	10	20	DGCD	
CCc1ccc([C@@H](O)CN[C@@H](C)c2ccc(F)cc2O)cc1	797020624	WEKIMLZBYKITKQ-SGTLLEGYSA-N	303.377	3.478	10	20	DGCD	
OC[C@]1(NCc2ccc(N3CCCC3)cc2)CCc2ccccc21	1253279409	FFVJAWHJFJCNQM-OAQYLSRUSA-N	322.452	3.210	10	20	DGCD	
CC[C@@H](NCC[C@@H](C)NC)c1cc(Br)ccc1O	1261424273	QIVAIWKJANNZLA-ZWNOBZJWSA-N	315.255	3.193	10	20	DGCD	
C[C@H](N[C@@H](C)c1c(F)cncc1F)c1cc(C(=O)O)ccc1O	1604322983	STGCDZMNSBTXAE-IUCAKERBSA-N	322.311	3.175	10	20	DGCD	
C[C@H](N[C@@H](c1cccnc1)C1CC1)c1cc(C(=O)O)ccc1O	1593208263	AJEINNILGBRSTQ-APPDUMDISA-N	312.369	3.287	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N[C@H](C)c2ccccc2)cc1	150733253	CUHDDPJBSXPYDH-OAHLLOKOSA-N	312.413	3.399	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1	69716651	DIZZAMNLWYXZPI-ZDUSSCGKSA-N	315.392	3.452	10	20	DGCD	
CC(C)CCN(C(=O)NCc1ccc(N(C)C)cc1)C1CC1	31730319	VYPOKADDMWPKQE-UHFFFAOYSA-N	303.450	3.473	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](O)c2ccc(F)cc2)cc1	75734919	SFRVRNNNIJTKLD-IBGZPJMESA-N	316.420	3.495	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCCCN(C)C)c1O	186913408	ZRSDTFJRLLLZSD-NSHDSACASA-N	315.255	3.065	10	20	DGCD	
Cc1ccc2[nH]c(C(=O)NCCc3ccc(O)c(O)c3)cc2c1C	122763361	FTQUNJANUBSIEB-UHFFFAOYSA-N	324.380	3.168	10	20	DGCD	
CN(C)CCC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	130559888	IMVWYHKTORFPPN-UHFFFAOYSA-N	307.457	3.055	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)/C=C(\C)C3CC3)CC2)cc1	193518762	MOIXDYAFPQFFOG-CCEZHUSRSA-N	314.429	3.090	10	20	DGCD	
Nc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1	195308855	MVHIVFVAKOZGQJ-LLVKDONJSA-N	302.761	3.112	10	20	DGCD	
CCO[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1	140397932	IWVLPACCZRIYKZ-SFHVURJKSA-N	312.413	3.147	10	20	DGCD	
COC(=O)c1oc(CN(C)c2ccc(OC)c(OC)c2)cc1C	140332115	TZWXNKAQRCLALC-UHFFFAOYSA-N	319.357	3.028	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(OCCOC)CC2)cc1	93339708	CHONOBZOYMNVGU-UHFFFAOYSA-N	320.477	3.160	10	20	DGCD	
Cc1ccc(O)c(CN2CCO[C@@]3(CCc4ccccc43)C2)c1	93638360	SFHKFGHQSDLPBZ-FQEVSTJZSA-N	309.409	3.375	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)[C@H](O)c2cccc(F)c2)cc1C	267251122	ZLEKLLVGRZDITA-UGSOOPFHSA-N	303.377	3.360	10	20	DGCD	
CCOc1cccc(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1O	277172845	HXDAKGSNNFGYMG-VXGBXAGGSA-N	318.421	3.273	10	20	DGCD	
CC(=O)Nc1cccc2c1CCCN2Cc1cc(F)ccc1O	272487965	DIOOMPIKCWYYLV-UHFFFAOYSA-N	314.360	3.443	10	20	DGCD	
C[C@@H](N[C@H](C)c1ncnn1C)c1ccc(Cl)c(Cl)c1O	276634586	OBZRRQHXPMKTBH-HTQZYQBOSA-N	315.204	3.239	10	20	DGCD	
Cc1ncc2c(n1)CC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C2	370671190	OFBSIWGFCBOHFC-SUMWQHHRSA-N	310.445	3.059	10	20	DGCD	
C[C@H](c1cc(F)ccc1O)N1CCC[C@H](CC(C)(C)C(N)=O)C1	296473744	NWKCNZQLWZXDSY-CHWSQXEVSA-N	322.424	3.206	10	20	DGCD	
CCCc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)no1	294622466	WNDNJYWXRLSIFB-UHFFFAOYSA-N	313.401	3.157	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](O)Cc2cccc(F)c2)c(O)c1	297250534	JFUXZUCXEZRODB-CJNGLKHVSA-N	303.377	3.094	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccccc1CC	808095268	XAOJWSARQAHHNT-UHFFFAOYSA-N	318.413	3.299	10	20	DGCD	
CC[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O	806148080	QHHDYKFCJBWNPC-RISCZKNCSA-N	324.852	3.486	10	20	DGCD	
CC[C@@H]1CC[C@H](C)N1Cc1ccc(N2CCOCC2)c(F)c1	809768067	BJICKYNCINSRST-GOEBONIOSA-N	306.425	3.425	10	20	DGCD	
C[C@@H](NC(=O)CCCn1cnc2ccccc21)c1ccccc1O	827930454	KPFPFVCEHVGSKT-CQSZACIVSA-N	323.396	3.400	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c1	724910973	BYQHSALYJMAOPV-KBPBESRZSA-N	320.433	3.361	10	20	DGCD	
CCOc1cccc(CNC[C@@]2(C)CC2(Cl)Cl)c1O	824765714	OWCNFNOGCPNZGI-CYBMUJFWSA-N	304.217	3.464	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1C[C@H]2CCCN2c2ccccc21	491531687	HXKKDEPRHOKHQF-KXPUMZMLSA-N	323.371	3.250	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)O)cc1	901501669	PJZBSRQPKUPJFZ-QGZVFWFLSA-N	316.445	3.220	10	20	DGCD	
CC[C@H](C)NC(=S)NCc1ccc(N(CC)CC)c(F)c1	731320761	XQSWJYHDVMRKNG-LBPRGKRZSA-N	311.470	3.435	10	20	DGCD	
COCCC(C)(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839920808	UMIQHRULTCESIC-OAHLLOKOSA-N	320.477	3.171	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1csc2cncn12	735857886	UILRRPHRUCKDIE-UHFFFAOYSA-N	315.398	3.154	10	20	DGCD	
CC[C@]1(C(=O)O)CCCN(Cc2cc(Cl)cc(F)c2O)C1	904400678	KJGWCYGWFZYZTD-HNNXBMFYSA-N	315.772	3.262	10	20	DGCD	
O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cc(O)cs1	732276995	ZZDUGBKIDVHQCD-LBPRGKRZSA-N	307.346	3.237	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C)[C@H](CN)C2)cc1F	841100816	KXAPIIJVYUAAKJ-GDBMZVCRSA-N	307.457	3.089	10	20	DGCD	
CSc1cc(CNCc2ccc(N(C)C)cc2C)ccn1	840935930	DWNPZYCXIXOZHE-UHFFFAOYSA-N	301.459	3.468	10	20	DGCD	
Cc1ccccc1[C@H]1CN(C(=O)c2cc(O)cs2)[C@@H](C)CO1	743710842	WKRCMZVWOROPEC-SWLSCSKDSA-N	317.410	3.364	10	20	DGCD	
C[C@@H](CN(C)C(=O)NCCc1ccc(N)cc1)c1ccccc1	841958320	ZIBCNGQCWUNTGC-HNNXBMFYSA-N	311.429	3.256	10	20	DGCD	
C[C@@H]1C[C@@H](NCC[C@H]2CCCN(C)C2)c2c(O)ccc(F)c21	840811206	ZOPXSFSWUFGXLH-UMVBOHGHSA-N	306.425	3.401	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H]([C@@H]3CCCNC3)C2)c1	843128296	VTJBZUUKOKGGME-CVEARBPZSA-N	318.461	3.003	10	20	DGCD	
O=C(O[C@H](C(=O)O)c1cccc(Cl)c1)c1cc(O)cs1	740293056	TUWAJPFPSNOIJY-NSHDSACASA-N	312.730	3.090	10	20	DGCD	
CN(C)c1ccc(CN[C@H](Cn2cccn2)c2ccccc2)cc1	741257567	FNEIFJRCWJNMRQ-HXUWFJFHSA-N	320.440	3.480	10	20	DGCD	
CC(C)(C)c1ccccc1OCC(=O)NCc1ccccc1O	748352403	BVACCFNAIANWAN-UHFFFAOYSA-N	313.397	3.385	10	20	DGCD	
CNCc1cccc(NCc2cc(Cl)cc(OC)c2O)c1	841042379	GIWOFYVIWPRWKV-UHFFFAOYSA-N	306.793	3.386	10	20	DGCD	
CCOc1cccc(NC(=S)NCc2ccccc2O)c1	742995409	XVUGXHQIXFFYEN-UHFFFAOYSA-N	302.399	3.278	10	20	DGCD	
Cn1c2c(c3cc(OCCC4OCCO4)ccc31)CCCC2	842662206	NGENYBVKKVHVDF-UHFFFAOYSA-N	301.386	3.199	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]([C@H]2CCNC2)C1	843124626	DQDSIGPUJYVFNU-NWDGAFQWSA-N	312.816	3.006	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1	841666348	AAILPXGBNCUTNH-XYJFISCASA-N	315.461	3.469	10	20	DGCD	
C[C@H](N[C@H](C)COCC(F)(F)F)c1cc(F)cc(F)c1O	756488225	MAVWFVFMIUOPOY-SFYZADRCSA-N	313.266	3.288	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@H](c2ccccc2)c2nc[nH]n2)cc1	852151699	KUMNKXWVZRUHDO-GOSISDBHSA-N	321.428	3.092	10	20	DGCD	
CNC(=O)c1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)cc1	756398072	YRQZGRYUUFOQHJ-CQSZACIVSA-N	312.413	3.219	10	20	DGCD	
CCn1nc(C)c(CNCc2cc(C)n(-c3ccccc3)c2C)n1	858294784	OAOUIVKBSOJZOA-UHFFFAOYSA-N	323.444	3.304	10	20	DGCD	
CCN(Cc1cc(C)nc(C)n1)c1ccc(OC)c(OC)c1	851827675	ICZTWAFUSCYKKU-UHFFFAOYSA-N	301.390	3.137	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@@H]2CCCN(C)C2)cc1F	768545748	CJAOUCLAXVYMPV-QGZVFWFLSA-N	321.484	3.446	10	20	DGCD	
Cc1cc(C)c(OCC(=O)NCc2cc(C)ccc2O)c(C)c1	862761784	XRBWBCRKCKYXDR-UHFFFAOYSA-N	313.397	3.321	10	20	DGCD	
COc1ccc2c(c1)CCCN(Cc1c(O)cccc1OC)C2	769331343	FYFDIEUHHAHJSL-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
CCOc1ccc(CN2CCO[C@@H](c3ccccc3)C2)c(O)c1	768239444	WEVYWLIGBDASNI-LJQANCHMSA-N	313.397	3.364	10	20	DGCD	
C[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)CC(F)(F)F	868706598	YQUHIMYWYHLLOQ-NXEZZACHSA-N	304.312	3.341	10	20	DGCD	
Cc1ccc(C(=O)NCCc2cc3ccccc3o2)c(O)c1O	770501138	CLZUEDNTQDGIKQ-UHFFFAOYSA-N	311.337	3.125	10	20	DGCD	
CC(=O)c1nc(NC(=O)N[C@H](C)c2ccccc2O)sc1C	879765603	GLFVOHJXMRWQAX-MRVPVSSYSA-N	319.386	3.242	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC(C)(C)CC2)c1O	774909517	RDJDSESWZQEBQB-UHFFFAOYSA-N	308.378	3.321	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccncc2C)cc1F	771335089	PXCXJGYEZIZLJO-UHFFFAOYSA-N	315.392	3.305	10	20	DGCD	
O=C(Nc1cccc(CCN2CCCC2)c1)c1cc(O)cs1	770413250	YECGRQRJGOEGPT-UHFFFAOYSA-N	316.426	3.344	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCc2ccccc21)c1c(O)cccc1F	886555238	NYEDAIMXKTXIBH-XIKOKIGWSA-N	301.361	3.016	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1OCCc2ccccc21	882995220	MXNMWUUQLSLDEA-INIZCTEOSA-N	305.324	3.074	10	20	DGCD	
Cc1ccc(C(=O)NC2CC(C)(c3ccccc3)C2)c(O)c1O	780934062	UAPVLIAFFCBCCX-UHFFFAOYSA-N	311.381	3.256	10	20	DGCD	
COc1cc(C)cc(CNCc2ccc([C@@H](C)O)cc2)c1O	894202811	MFDKLFZGCZYGFH-CYBMUJFWSA-N	301.386	3.052	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)CO1	792793573	GHQYUBZJEWBFQL-NEPJUHHUSA-N	316.367	3.381	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c1O	797541627	HMJILZNEKUFLIQ-RDBSUJKOSA-N	320.433	3.272	10	20	DGCD	
CNC[C@H](C)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	1325743093	JKGGQSGIGYSEPU-GJZGRUSLSA-N	307.457	3.322	10	20	DGCD	
O=C(O)/C=C\c1ccc(CNCc2cccc(Cl)c2O)o1	1601878913	KPGIFVBCVSRUIC-SREVYHEPSA-N	307.733	3.026	10	20	DGCD	
C[C@H](NC[C@@H](C)N1CCCC[C@H]1C)c1cc(C(=O)O)ccc1O	1604331808	GSHIPBVKXDIYGF-MCIONIFRSA-N	320.433	3.004	10	20	DGCD	
O=C(O)c1cccc(NNC(=S)Nc2cccc(Cl)c2)c1	1610849088	YYJNUMUNJRQVMY-UHFFFAOYSA-N	321.789	3.352	10	20	DGCD	
CCOCc1cc(CNCC[C@@H]2CCCNCC2)ccc1OC	1578124555	GZZBSNHYPREYCC-MRXNPFEDSA-N	320.477	3.101	10	20	DGCD	
C[C@H](NC1CC(C)(C)NC(C)(C)C1)c1cc(C(=O)O)ccc1O	1593208438	CDVBBBWJTUKFFP-NSHDSACASA-N	320.433	3.050	10	20	DGCD	
C[C@H](NCCc1ccco1)c1ccc(N2CCOCC2)c(F)c1	155949005	UNGAOZUVOOMGOX-AWEZNQCLSA-N	318.392	3.149	10	20	DGCD	
O=C1/C(=C/c2csnn2)SC(=S)N1c1ccc(F)cc1	209182429	DRJOICUGDUIUDL-YHYXMXQVSA-N	323.399	3.083	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)on1	108296082	VXZZYRJREWWZAK-UHFFFAOYSA-N	313.401	3.149	10	20	DGCD	
CCC(CC)N(CCOC)C(=O)NCc1ccc(N(C)C)cc1	65028643	SGARQKTUWNXRPY-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
CC(C)[C@@H](NCc1ccc(N(C)C)cc1)c1nc(C2CC2)no1	113357718	RBEBRTQMOQHAJV-MRXNPFEDSA-N	314.433	3.500	10	20	DGCD	
CC1(C)[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@H]21	175639414	YLNVZGOISKDXKZ-CALCHBBNSA-N	313.445	3.084	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CNc2ccccc2)cc1	178712100	WQGMHOUPDQRGAI-UHFFFAOYSA-N	311.429	3.261	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(C)(C)CCOC)cc1	184075835	SUWDBOJWLXRGOL-UHFFFAOYSA-N	306.450	3.212	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@@H](C)c2ccc(C)cc2O)cc1	185826661	VNABEYRIMMENOO-KSSFIOAISA-N	315.413	3.484	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)s1	121717860	NNZFEWFUQVSUDX-UHFFFAOYSA-N	309.362	3.319	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)CCc2ccccc2)cc1F	182461746	WHXNPLGOIUSUDM-MRXNPFEDSA-N	303.377	3.264	10	20	DGCD	
Cc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(F)c(F)c1O	187716614	WJDQYGZUEIBVEQ-XHDPSFHLSA-N	307.340	3.363	10	20	DGCD	
COCCN(Cc1cc(Br)ccc1O)CC(C)C	132648442	FIANFFHWEHSNJS-UHFFFAOYSA-N	316.239	3.259	10	20	DGCD	
CCN(C)C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	93770026	KFZZGCWVJMMSDK-LJQANCHMSA-N	315.505	3.451	10	20	DGCD	
CC[C@@H](C)[C@H](OC)C(=O)NCc1c(C)c2ccccc2n1C	357144351	AOIHDRJGQTXKGQ-PXAZEXFGSA-N	302.418	3.164	10	20	DGCD	
Cc1nnc(-c2cccc(NCc3ccc(N(C)C)cc3)c2)n1C	269480495	FOFVKIAJQOJCDI-UHFFFAOYSA-N	321.428	3.469	10	20	DGCD	
CCC(CC)n1nc(C(=O)NCc2ccccc2O)cc1C	271905106	XLVAXAFQMNODJV-UHFFFAOYSA-N	301.390	3.188	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)[C@H](O)c2cccc(F)c2)c1	273490327	OBSNIAGUIQUWLM-IUUKEHGRSA-N	319.376	3.313	10	20	DGCD	
COc1cc(N2CCc3ccccc3C2)c([N+](=O)[O-])cc1OC	271053808	QOQAGNBOHKJLSE-UHFFFAOYSA-N	314.341	3.175	10	20	DGCD	
C[C@H](CN1CCCCC1)NCc1ccc(N2CCCC2)cc1	378924161	RHNQLUCLWMHECD-QGZVFWFLSA-N	301.478	3.251	10	20	DGCD	
C[C@@H]1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CCS1	379489246	CLNPBCURYDDVHM-USEMIUTHSA-N	322.386	3.024	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(Cl)ccc1O	376299099	AIQOYTBOBIYCPY-GHJWDPDVSA-N	311.809	3.034	10	20	DGCD	
Cc1cc(CN[C@H](C)c2ccc(Br)cc2O)n(C)n1	284263372	JAAWYFWETMXJDD-SNVBAGLBSA-N	324.222	3.047	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H](C2CC2)C(F)(F)F)c1O	808438946	RVOOPIQKFSOIIS-LLVKDONJSA-N	324.686	3.384	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1c(F)cccc1[N+](=O)[O-]	804604999	KZPPNOZEAFWKNE-SECBINFHSA-N	306.293	3.188	10	20	DGCD	
CC[C@H](NC1CCNCC1)c1ccc(C(F)(F)F)cc1O	817937638	YQWXOYPCORJSPA-ZDUSSCGKSA-N	302.340	3.204	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCCCCC(=O)C1)c1ccc(N(C)C)cc1	813524609	DTHPTQUEUPWJCZ-GDBMZVCRSA-N	316.445	3.469	10	20	DGCD	
CCOC1(CN[C@@H](C)c2cc(C(=O)OC)ccc2O)CCCC1	815644826	NBFQFPFNBGDIST-ZDUSSCGKSA-N	321.417	3.179	10	20	DGCD	
C[C@@H](CC(=O)N[C@H](C)c1ccccc1O)C(=O)c1ccccc1	827937369	UEVRVCNXFSQDCZ-UONOGXRCSA-N	311.381	3.479	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1O	827937053	JDTVPRLFKHPCNR-HUUCEWRRSA-N	316.445	3.224	10	20	DGCD	
CN1CC[C@H](NCc2ccc(N(C)Cc3cccs3)cc2)C1	823813254	YEADDTJSXLCQQP-INIZCTEOSA-N	315.486	3.178	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O	824721720	IFSFWLMHAOSDKQ-HONMWMINSA-N	313.800	3.310	10	20	DGCD	
CC[C@H](C[C@H](C)CO)NCc1ccc(Br)cc1O	825316752	ZQAPNCROBKURKM-GXFFZTMASA-N	316.239	3.041	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cnn(CC)c2)cc1	733915463	NTXDFNUDNTZUJU-UHFFFAOYSA-N	314.433	3.021	10	20	DGCD	
CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(Cl)c(Cl)c1O	834903228	GOWPRQOZCQJJGL-XXILOJSOSA-N	320.216	3.154	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccs1	839913580	MGSSETGJTFZLCP-CYBMUJFWSA-N	302.443	3.484	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]2[C@H]2CCCOC2)c(O)c1	843417078	OWYDAMCQMQWXSM-DOTOQJQBSA-N	305.418	3.182	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC2(CSC)CC2)c1	845833959	PEWLZBNEYNPJIE-LLVKDONJSA-N	309.431	3.111	10	20	DGCD	
C[C@H]1CN(Cc2c(O)ccc3ccncc23)CC2(CCCC2)O1	842644657	HBXXMIJJAALQPY-AWEZNQCLSA-N	312.413	3.474	10	20	DGCD	
CC[C@@H](NC[C@@H](C)COC)c1cc(Br)ccc1O	45656564	CRIDQSKPJSTKRC-ZWNOBZJWSA-N	316.239	3.478	10	20	DGCD	
CN(C)c1ccc(OCCOc2cccc([N+](=O)[O-])c2)cc1	757716645	CXTKAYZBHLUSLE-UHFFFAOYSA-N	302.330	3.119	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)CC2CC2)cc1	858625924	GSPRFJVAXCZRMZ-UHFFFAOYSA-N	324.424	3.318	10	20	DGCD	
CC1CCN([C@H](C)CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756504689	PWANDDHGOPHPRT-KGLIPLIRSA-N	321.421	3.071	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)CN1CCCCC1	756434032	HTJUVRBXVIIDHA-UONOGXRCSA-N	321.421	3.073	10	20	DGCD	
CSCC1CCC(NC(=O)NCc2cc(C)ccc2O)CC1	875634133	ZYHOQJDLWWXKCG-UHFFFAOYSA-N	322.474	3.422	10	20	DGCD	
COCC1(N[C@@H](C)c2cc(Br)cc(C)c2O)CC1	779048688	ZQCLCCNZONSGAR-JTQLQIEISA-N	314.223	3.293	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H]3[C@H](CCCN3C)C2)cc1	773766313	RPJPIWSXUTVAEO-MJGOQNOKSA-N	301.478	3.059	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2ccc(N(C)C)c(C)c2)C12CCC2	776165417	QQQGTHORBUNUHJ-MSOLQXFVSA-N	302.462	3.498	10	20	DGCD	
Cc1cc(N(C)C)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1	779480569	XPROEFAJMWPUNO-UITAMQMPSA-N	312.369	3.124	10	20	DGCD	
CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccc(Cl)cc1	775782158	CSBOBHJLROFWCT-RUDMXATFSA-N	317.776	3.205	10	20	DGCD	
O=C(Cc1ccc(Br)cc1)NCc1ccccc1O	133777377	XKRBNCBMPYQJIV-UHFFFAOYSA-N	320.186	3.014	10	20	DGCD	
CC(C)=C[C@H]1[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1(C)C	782220940	LGZUKMNFQSEEGM-BLLLJJGKSA-N	318.369	3.062	10	20	DGCD	
CC(C)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	780183099	CIXMVQHKLHDJON-INIZCTEOSA-N	303.450	3.330	10	20	DGCD	
Cc1cc(F)ncc1/C=C1\SC(=S)N(C2CCC2)C1=O	899260378	DYOVNHHIXMQQBB-WDZFZDKYSA-N	308.403	3.283	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2cc(C)cc(OC)c2O)C12CCC2	894267605	BAMJZJKHQFVESI-HZPDHXFCSA-N	305.418	3.147	10	20	DGCD	
Brc1cnccc1CNCc1ccc2c(c1)CCO2	686577189	NYPHRTYBCLRMSN-UHFFFAOYSA-N	319.202	3.069	10	20	DGCD	
C[C@@H](Cc1ccco1)NCc1c(O)cccc1Br	706804616	MFKJORUYVGSRCY-JTQLQIEISA-N	310.191	3.469	10	20	DGCD	
Oc1cccc(Br)c1CNCC[C@H]1CCCCO1	706868376	LHWOWRXRZFIQBC-LLVKDONJSA-N	314.223	3.204	10	20	DGCD	
COCCC(C)(C)CNCc1c(O)cccc1Br	706829988	JKNRNIDACRYDFY-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CNC1CSC1	708196370	IUVAFYNLUJPWDC-UHFFFAOYSA-N	308.628	3.013	10	20	DGCD	
CC[C@@H](NCCNc1cccc(C)n1)c1ccc(F)cc1O	796837557	DIONQGSMUDDYGX-OAHLLOKOSA-N	303.381	3.388	10	20	DGCD	
O=C(CC1CCC1)NCCC1=CCN(c2cccc(F)n2)CC1	1089820304	UDRKKZULMFPFDP-UHFFFAOYSA-N	317.408	3.054	10	20	DGCD	
Cc1cccc2c1N[C@@H](c1ccc(N3CCCC3)cc1)NC2=O	1248746034	DZLXWWLOPIUZOA-GOSISDBHSA-N	307.397	3.449	10	20	DGCD	
Cc1nc(NCc2ccc(N3CCN(C)CC3)cc2)sc1C	1330830963	MFFFRLHWHRJDTJ-UHFFFAOYSA-N	316.474	3.124	10	20	DGCD	
CN1CCN(c2ccc(CN(C)CC3CCCC3)cc2F)CC1	1341554131	SUZVTWLOPGTODV-UHFFFAOYSA-N	319.468	3.200	10	20	DGCD	
COc1cc(N(C)Cc2ncccc2Cl)cc(OC)c1OC	1351373861	KPVHUDUWNDDLFJ-UHFFFAOYSA-N	322.792	3.397	10	20	DGCD	
O=C(O)[C@@H](CNCc1cc(F)c(F)cc1O)C1CCCCC1	1608538162	GPDIBICINLBWDH-LBPRGKRZSA-N	313.344	3.041	10	20	DGCD	
Cc1ccc(O)c(CNCc2c(C(=O)O)[nH]c3ccccc23)c1	1600464488	DIPQCGLZCSIMRW-UHFFFAOYSA-N	310.353	3.170	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C(=O)O)c2cc(F)ccc2F)cc1C	1610475915	PIXGOGCOIMYTHC-INIZCTEOSA-N	321.323	3.203	10	20	DGCD	
CS[C@@H]1CCC[C@@H](NC[C@@H](N)c2ccc(N(C)C)cc2)C1	1579370393	QWCLZAFMKXYESQ-DJIMGWMZSA-N	307.507	3.016	10	20	DGCD	
C[C@@H](N[C@H](C(=O)O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	1593196122	UPSFOMBRINCKIB-PXAZEXFGSA-N	316.376	3.368	10	20	DGCD	
CC[C@H](N[C@@H]1COc2c(cccc2OC)C1)c1ccccc1O	155623521	QLXNUTQRWNHGIR-HOCLYGCPSA-N	313.397	3.445	10	20	DGCD	
Cc1cc(C(=O)N[C@]2(C)CCOC2)c(C)n1-c1ccc(F)cc1	157700320	QRQUGSBXAMJHDQ-GOSISDBHSA-N	316.376	3.142	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1c(F)cccc1F	208204608	JESXHEHEAGTNMU-UKTHLTGXSA-N	308.353	3.421	10	20	DGCD	
COCCN(Cc1cc(Cl)cc(OC)c1O)CC(C)C	184681053	UMXIHMGJAXCWQR-UHFFFAOYSA-N	301.814	3.159	10	20	DGCD	
C[C@@H](NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	715146623	OKWIASASWIMLBA-MCIONIFRSA-N	320.433	3.346	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2oc3ccccc3c2C)c1	114544323	OIJMSUDIZVSNRL-UHFFFAOYSA-N	311.337	3.385	10	20	DGCD	
COc1ccc([C@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)cc1	179410763	FJBGAPCDSTYJDD-LBPRGKRZSA-N	315.369	3.248	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2CCCCCC2)cc1Cl	121879625	KCJNBJAFXJUHNA-UHFFFAOYSA-N	310.825	3.187	10	20	DGCD	
COCCN(Cc1ccc(N(C)C)c(F)c1)Cc1ccco1	124070187	WTUADQWGYNJKSN-UHFFFAOYSA-N	306.381	3.133	10	20	DGCD	
C[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccccc1O	183427866	FGGOPNFHKAEDTG-HNNXBMFYSA-N	311.429	3.102	10	20	DGCD	
C[C@H](NCC1(N2CCSCC2)CCCC1)c1ccccc1O	183415204	QTJVLLNPYCAVJV-HNNXBMFYSA-N	320.502	3.404	10	20	DGCD	
C[C@H](NCc1ccc([S@@](C)=O)cc1)c1cc(F)ccc1O	186095346	IBPJDTUOGOCYCO-WIUDPPPLSA-N	307.390	3.120	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)nc1)N1CCOc2ccc(F)cc21	125776826	FDZGUHHTJWQXRT-QHHAFSJGSA-N	318.735	3.313	10	20	DGCD	
CC[C@H](CCO)CNC(=O)c1sccc1-n1c(C)ccc1C	130847543	NUUIVXMPAOXTPG-CQSZACIVSA-N	320.458	3.294	10	20	DGCD	
Fc1cc(CNc2cccc(Cl)n2)ccc1N1CCOCC1	189411538	DSJLRZLCEQQFTB-UHFFFAOYSA-N	321.783	3.323	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCOc3ccccc3C2)c1O	321307006	CJBBYUNUPDWMNB-UHFFFAOYSA-N	315.344	3.129	10	20	DGCD	
CSC1(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	193826554	NIMVMZVHRJDKNQ-ZDUSSCGKSA-N	324.465	3.209	10	20	DGCD	
C[C@H]1CN(C)CC[C@@H]1N(C)Cc1cc(Cl)cc(Cl)c1O	290587009	VAXYGNJOAAFNHZ-HZMBPMFUSA-N	317.260	3.471	10	20	DGCD	
CCOc1ccc(CN(C)Cc2ccccc2O)cc1OC	91974668	XEUIDGAZFSDXBQ-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
Fc1ccc(NCc2ccc(N3CCOCC3)cc2)c(F)c1	237854579	YZQBYHKIHYEFGL-UHFFFAOYSA-N	304.340	3.414	10	20	DGCD	
Cc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1	527536344	WRQDCIRQHPJACG-SFHVURJKSA-N	312.413	3.277	10	20	DGCD	
Cc1c(CN[C@@H]2CCN(C)[C@@H]3CCC[C@H]23)n(C)c2ccccc12	556877847	MRHVJSUCSNTFAD-KZNAEPCWSA-N	311.473	3.449	10	20	DGCD	
C[C@H](NCc1cnc([C@@H](C)O)s1)c1ccc(N(C)C)cc1	809642268	FVCRLENKERCOFV-NWDGAFQWSA-N	305.447	3.113	10	20	DGCD	
C[C@@H](CCCO)CN[C@H](C)c1ccc(Br)cc1O	296537955	QUYOPGKLGAKVSK-WDEREUQCSA-N	316.239	3.214	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1F	800331571	YNSSFUHJAUJNCN-PBFPGSCMSA-N	322.424	3.102	10	20	DGCD	
Cc1cc(C)cc([C@@H](O)CNCc2c(O)cccc2Cl)c1	800896450	JYDXBWPDMWWWBY-KRWDZBQOSA-N	305.805	3.486	10	20	DGCD	
C[C@H]1CCCN(CCCCN[C@H]2CCc3cccc(O)c32)C1	295828955	DUXTXSUYVVCXKO-RDJZCZTQSA-N	302.462	3.481	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3nc(C)n(C)n3)c2C)c1	293750543	SJQBKVVQTILYEM-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
COc1ccc(N(C)CC2CN(C(=O)OC(C)(C)C)C2)cc1F	800350443	FJIAWEDARDCZIB-UHFFFAOYSA-N	324.396	3.137	10	20	DGCD	
Cc1ccc2c(c1)/C(=C/c1nccn1CC(F)(F)F)C(=O)N2C	290492472	JKFIASRLVJQMJD-WQLSENKSSA-N	321.302	3.271	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H](C)C(=O)NC(C)(C)C)c1O	808684427	NVOXLMUEQPEZSH-GHMZBOCLSA-N	312.841	3.308	10	20	DGCD	
COCCCOCCN(C)Cc1ccc2ccccc2c1O	816565702	YYMVHYDHMLTYRL-UHFFFAOYSA-N	303.402	3.030	10	20	DGCD	
CC[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1O	817942305	NZNYXLPMOJJQBB-ZWKOTPCHSA-N	313.445	3.199	10	20	DGCD	
CC(C)[C@H](NCc1cc(Cl)c(F)cc1O)C1(CO)CCC1	816616892	IUNUZRUEAAJYBI-HNNXBMFYSA-N	315.816	3.462	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCCCC(=O)C1	813454897	DIHUOWPTTYFOSP-OAHLLOKOSA-N	316.445	3.217	10	20	DGCD	
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(N)cc2)c1	818556267	GIYYMMMGHYNMJQ-ZBFHGGJFSA-N	312.369	3.028	10	20	DGCD	
CCOc1cccc(CNCC2(COC)CCCCC2)c1O	810177602	ILXPGWHSRPQTGH-UHFFFAOYSA-N	307.434	3.477	10	20	DGCD	
CC(C)[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCCO1	816674775	KKFSXZACHZVAKV-AWEZNQCLSA-N	301.789	3.432	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1Cl	825391015	OHBABEWNFVQTPC-APHBMKBZSA-N	307.821	3.401	10	20	DGCD	
Cc1cccc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1O	824892999	IEAVGSIJWZBHDY-SJORKVTESA-N	301.430	3.482	10	20	DGCD	
CC[C@@H](C)[C@@H](CNC1CCN(c2ccc(OC)cc2)CC1)OC	824596732	KYEYGVKIEUPARH-DNVCBOLYSA-N	320.477	3.315	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1C[C@@H](C)Oc2cc(F)ccc21	588519128	NACPUFIZDGNMRQ-WWQCOOJYSA-N	318.373	3.418	10	20	DGCD	
CC[C@@H](NC(COC)COC)c1ccc(C(F)(F)F)cc1O	824925739	DUEJWJVPFAHVLK-CYBMUJFWSA-N	321.339	3.113	10	20	DGCD	
O=C(CC1CCOCC1)NCc1ccc(N2CCCCC2)cc1	735271724	WFOHTRKOKDAUHN-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCN(c2ccccc2Cl)CC1	731868434	YZGCPGCFHPVLPE-UHFFFAOYSA-N	322.817	3.070	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2ccccc2CC1	836921945	JUOXYFNYVXCGRJ-CSKARUKUSA-N	323.392	3.129	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCO[C@@H](c2ccccc2Cl)C1	732287567	XFFVHNFEFDURRY-CYBMUJFWSA-N	323.801	3.321	10	20	DGCD	
C[C@@]1(C(=O)O)CCN(Cc2cc(-c3ccccc3)ccc2O)C1	833553399	CVULVPZDFIZPSF-LJQANCHMSA-N	311.381	3.356	10	20	DGCD	
CCC1(CC)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1	839131859	FGTSLYFNQUSZRR-UHFFFAOYSA-N	306.425	3.284	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H](C(C)(C)C(=O)O)C2)c1	833662664	JQQXWEIIDKEWRS-AWEZNQCLSA-N	321.417	3.114	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)OC3CCCC3)CC2)cc1	830124782	PKOQQVBCQKZEMM-UHFFFAOYSA-N	318.417	3.287	10	20	DGCD	
C[C@@H](Cc1ccc(F)cc1)NC[C@H](N)c1ccc(N(C)C)cc1	841045778	PTTBVVGXQIRPRI-LIRRHRJNSA-N	315.436	3.112	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)CC[C@H]1N	843051983	JMPDZTXWUCKZSP-NVXWUHKLSA-N	307.457	3.231	10	20	DGCD	
CCN(Cc1cc(Cl)cc(C(C)=O)c1O)c1cnn(C)c1	847078827	UOGMIJSBHBUWDB-UHFFFAOYSA-N	307.781	3.008	10	20	DGCD	
CCc1cccc(CN(Cc2cnn(C)c2)CC(C)C)c1O	848915080	SJXGPJPGPWJIMF-UHFFFAOYSA-N	301.434	3.346	10	20	DGCD	
CC[C@@H](N[C@@H](CO)CCF)c1cc(Cl)cc(Cl)c1O	846209669	RYPLDODPZRCIEJ-BXKDBHETSA-N	310.196	3.460	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O	846144977	IXXUFSUTMNONSQ-AADNMHCOSA-N	305.418	3.255	10	20	DGCD	
C[C@H]1C[C@H](NC[C@@H](C)CN2CCCC2)c2c(O)ccc(F)c21	756422844	MQEIWGAAAJPSOM-IPYPFGDCSA-N	306.425	3.401	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1conc1CC	854374171	QBJXXPHRWXPOSM-UHFFFAOYSA-N	302.374	3.385	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCCc1ccsc1	759593035	IIZPNAHNJNJFCR-GQCTYLIASA-N	304.367	3.349	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2(F)CCOCC2)cc1	864636515	MQTJIVUNUSBKLU-UHFFFAOYSA-N	322.424	3.010	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H](CC(=O)O)C(C)(C)C)cc1F	864510575	XGIBKPGMWVFTFJ-AWEZNQCLSA-N	314.376	3.010	10	20	DGCD	
CC[C@H](N[C@H]1CCCN(C(=O)OC)C1)c1ccc(N(C)C)cc1	765632347	ZRJJBWJAADKNDY-RDJZCZTQSA-N	319.449	3.024	10	20	DGCD	
OC1CCN(c2ccc(CNC3(C4CCC4)CC3)cc2)CC1	877612067	CFRRXXWWQRZXPW-UHFFFAOYSA-N	300.446	3.070	10	20	DGCD	
C[C@H]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC1	877025990	BZNLNPWQWFEDMW-JCNLHEQBSA-N	302.462	3.316	10	20	DGCD	
CN(C(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccc(N)cc1	877077401	GQXZRZHOMYKJAO-LJQANCHMSA-N	323.440	3.286	10	20	DGCD	
C[C@H](NC[C@H]1C[C@H](O)C1)c1ccc(N2CCCCC2)c(F)c1	872127201	YHXGIGUSBXVCEI-DZKIICNBSA-N	306.425	3.238	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(C(C)C)C1=O)c1cc(Cl)ccc1O	775523889	NSYSIIJJPYAWLF-KGLIPLIRSA-N	310.825	3.096	10	20	DGCD	
CCn1cccc(CN[C@H](C)c2c(C)cc(C)cc2O)c1=O	788795597	MLFFDMGOTGFNME-CQSZACIVSA-N	300.402	3.041	10	20	DGCD	
COc1ccc(CN(CCCO)Cc2ccc(C)cc2O)cc1	898173070	ICKGMMPAIYYBBH-UHFFFAOYSA-N	315.413	3.094	10	20	DGCD	
Cc1ccc2c(c1)N(Cc1ccc(N3CCOCC3)cc1)CC2	780772550	DHTBKQXCTLOEIS-UHFFFAOYSA-N	308.425	3.394	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC([C@@H]2CCCCO2)CC1	895280110	OIITXRSWGKPHJV-INIZCTEOSA-N	311.372	3.452	10	20	DGCD	
COC(=O)COc1ccc(N(C)C[C@@H](C)c2ccccc2)cc1	784560467	XJQUZZFDFOPTQA-OAHLLOKOSA-N	313.397	3.478	10	20	DGCD	
CC(C)C[C@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1O	788564581	WTXAQMPRUJIHBT-GHMZBOCLSA-N	305.340	3.469	10	20	DGCD	
C[C@H](O)C[C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1F	790934286	JTQPVNNUOFFOIO-QWRGUYRKSA-N	301.789	3.310	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(F)c2ccccc12	797744318	OLGXPSIPKGSRJH-UHFFFAOYSA-N	311.312	3.320	10	20	DGCD	
C[C@@H]1OCC[C@]1(C)NCc1ccc(N(C)C)cc1C(F)(F)F	793073605	LXMCFXPLMKUIBJ-NHYWBVRUSA-N	316.367	3.429	10	20	DGCD	
CC(C)[C@H](C)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1319932683	RFQRYVODKDZNOY-HNNXBMFYSA-N	307.457	3.054	10	20	DGCD	
C[C@H](N[C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O	158245349	IWKJYHXPTOYBNS-SWLSCSKDSA-N	305.805	3.300	10	20	DGCD	
CC(C)(C)c1cnc(SCCCCS(C)(=O)=O)s1	164339591	QSYFVWIHTBPZDI-UHFFFAOYSA-N	307.506	3.358	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCCCC2(C)C)c1	151209203	HVSHIPHVKQSNBT-OAHLLOKOSA-N	306.406	3.169	10	20	DGCD	
Cc1noc(C)c1[C@H](C)CC(=O)N(C)Cc1ccccc1O	159081467	GTEYCHTVHKUXBE-LLVKDONJSA-N	302.374	3.149	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCC(=O)NCc1ccccc1	324528116	YUGMOOZVIDSECN-HOCLYGCPSA-N	324.424	3.155	10	20	DGCD	
CN(Cc1c(O)cccc1Br)C[C@H]1CCCCO1	707147175	VBNSVGQXTCJLAK-LLVKDONJSA-N	314.223	3.156	10	20	DGCD	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1	108648291	UJDODNXMUOLILZ-ZDUSSCGKSA-N	306.406	3.109	10	20	DGCD	
CN(Cc1ccccc1O)C1CCN(C(=O)OC(C)(C)C)CC1	179560342	JSPHXBLQRHJAEJ-UHFFFAOYSA-N	320.433	3.224	10	20	DGCD	
CCC1(CC)[C@@H](NC(=O)N(C)Cc2ccccc2O)C[C@@H]1OC	123733844	DMMBXMOJXWXWKO-HOTGVXAUSA-N	320.433	3.127	10	20	DGCD	
Nc1ccc(CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	216270881	GBUKIRWXQUSKHH-NEPJUHHUSA-N	300.324	3.254	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@@H](C)c2cc(C)ccc2O)cc1	185825914	VDUHAFWMOPUZTL-KBXCAEBGSA-N	315.413	3.484	10	20	DGCD	
Cc1cccc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1O	188808369	TWQYYHHGWRYAMF-DZGCQCFKSA-N	317.351	3.274	10	20	DGCD	
CC(C)CC(=O)N1CCC(N[C@@H](C)c2cc(F)ccc2O)CC1	185215426	UUPGXOPUTBSEOK-ZDUSSCGKSA-N	322.424	3.219	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1	75499352	YQMLAWXGSZZGBB-WBVHZDCISA-N	301.434	3.227	10	20	DGCD	
C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1O	185122167	VDCSXADDZVQGKQ-GPNNCHTKSA-N	303.789	3.355	10	20	DGCD	
C[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	47098324	PTWCZJIZGLZZQB-NVXWUHKLSA-N	315.461	3.474	10	20	DGCD	
C[C@H](NC[C@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1O	192927423	MNBXYAFRWKAIPN-ISVAXAHUSA-N	322.257	3.218	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1	237941937	PPIFSMMJTJJJRZ-GDBMZVCRSA-N	316.351	3.009	10	20	DGCD	
COc1cc(Br)cc(CN(C)C2CCC2)c1O	93475700	WFOFYONJTFUGRY-UHFFFAOYSA-N	300.196	3.148	10	20	DGCD	
Oc1ccc(Cl)cc1CNC1CCN(c2nccs2)CC1	369712725	OVOIFQZRMRMVGG-UHFFFAOYSA-N	323.849	3.261	10	20	DGCD	
CN(Cc1cnc([C@H]2CCCO2)s1)c1ccc2c(c1)OCO2	272569481	VOQFOCNTOIVITH-CQSZACIVSA-N	318.398	3.360	10	20	DGCD	
C[C@@H](NC[C@H](O)CCc1ccccc1)c1cc(F)ccc1O	273418551	IYWMACVZZCKONG-CZUORRHYSA-N	303.377	3.176	10	20	DGCD	
CCCCN(Cc1nnc(OCC)s1)Cc1ccccc1O	282497280	QNFYMUAJNBHDEG-UHFFFAOYSA-N	321.446	3.445	10	20	DGCD	
COC1=CC(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)=S=C1	561091172	UBQAHEITAJHTSX-UHFFFAOYSA-N	324.405	3.247	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)c3cc(C)on3)CC2)cc1	800503058	MFXWHEULOJKYED-CQSZACIVSA-N	315.417	3.311	10	20	DGCD	
COc1ccccc1N(CCO)Cc1cc(C)c(C)cc1O	809792966	MGSNXSNFWNFWSR-UHFFFAOYSA-N	301.386	3.017	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(F)c(NC(N)=O)c2)cc1F	814300030	GBYKUMCVQDVWCM-UHFFFAOYSA-N	320.343	3.134	10	20	DGCD	
C[C@@H](CCO)C1(CNCc2cc(Cl)c(F)cc2O)CCC1	816560528	RKRDLNODYCATAQ-NSHDSACASA-N	315.816	3.463	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1	817938792	SLMGXSZXBPVSCA-FZKQIMNGSA-N	301.409	3.242	10	20	DGCD	
CC(C)C[C@@H](C)CNCc1ccc(N2CCC(O)CC2)cc1	827662066	MFKHGFJPBMYDDO-MRXNPFEDSA-N	304.478	3.420	10	20	DGCD	
C[C@@H](NC(=O)C[C@H]1OCCc2ccccc21)c1ccccc1O	827937320	RQSNNWLPAZPCAO-FZKQIMNGSA-N	311.381	3.274	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@H]2COC[C@@H]2C)c1O	903395294	KUCGXPACSSGDRB-KWBADKCTSA-N	314.223	3.149	10	20	DGCD	
CC[C@@]1(C(=O)O)CCCN(Cc2c(O)ccc(Cl)c2F)C1	904400332	GKLXILVPOGEGCH-OAHLLOKOSA-N	315.772	3.262	10	20	DGCD	
CCCNC(=S)NCc1ccc(N2CCC(C)CC2)cc1	730953440	ZKZIGRFDUFRGNN-UHFFFAOYSA-N	305.491	3.297	10	20	DGCD	
C[C@@H](N[C@H](c1ccccn1)C1CC1)c1cc([N+](=O)[O-])ccc1O	903335331	NYXABBBKVLYHFJ-DIFFPNOSSA-N	313.357	3.497	10	20	DGCD	
COc1cccc([C@@H](C)NCC(C)(C)CN2CCCC2)c1O	846167510	ZCMCMRMMYSKBMJ-CQSZACIVSA-N	306.450	3.173	10	20	DGCD	
CCN(CCOC)C(=O)c1ccc(-n2c(C)ccc2C)cc1	914500941	CEEUDYQFBHRDRK-UHFFFAOYSA-N	300.402	3.203	10	20	DGCD	
Cc1cc(CN(Cc2ccco2)Cc2ccccc2O)n(C)n1	841826513	JDUGTRRAXHEUEU-UHFFFAOYSA-N	311.385	3.230	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2Cc3ccncc3C2)c1O	857875820	CXTBQMAIBNFLKB-UHFFFAOYSA-N	302.761	3.159	10	20	DGCD	
C[C@@H](NCC1CC2(C1)OCCO2)c1cc2c(cc1O)CCCC2	927005287	ZCYUTOZRLRZRHG-CYBMUJFWSA-N	317.429	3.075	10	20	DGCD	
CC[C@@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1O	850553885	ALMHKVAQDNCQKW-SWLSCSKDSA-N	322.424	3.219	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@H](C)c2cc(F)cc(F)c2O)cc1	756461534	UIBILNSCGGZCJT-BDJLRTHQSA-N	307.340	3.363	10	20	DGCD	
CCc1cc(CNCc2cc(OC)cc(C(C)(C)C)c2O)n[nH]1	850137119	JDAPUJDAEMUPMU-UHFFFAOYSA-N	317.433	3.274	10	20	DGCD	
COC[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccccc1	868470047	PVAVBFGIDANZDT-CJNGLKHVSA-N	314.385	3.140	10	20	DGCD	
CCO[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C(C)C	760365913	RNVUUUNIXDQWME-SFHVURJKSA-N	318.461	3.354	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H](CN3CCCC3)C1)CCCC2	768446961	PRTKPRRZNFRBHA-INIZCTEOSA-N	314.473	3.189	10	20	DGCD	
C/C=C(/C)C(=O)N1CCC[C@@H]1CNCc1ccc(OC)c(C)c1	1034899725	SEESYWZKVSGWDA-OTMHGDBASA-N	316.445	3.050	10	20	DGCD	
CCCC[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)OC	775980377	QPKCZEAYAYQJBR-SFHVURJKSA-N	318.461	3.498	10	20	DGCD	
CC[C@](NCc1cc(F)ccc1O)(C(=O)OC)c1ccccc1	877676581	YRCBZWZTGBSTGI-GOSISDBHSA-N	317.360	3.099	10	20	DGCD	
CN1CCc2cc([C@@H]3NC(C)(C)C(=O)N3c3ccccc3)ccc21	877857303	OHZWSLFDJOLYLY-GOSISDBHSA-N	321.424	3.093	10	20	DGCD	
C[C@@H](NC(=O)C(C)(C)[C@@H](N)c1ccccc1)c1ccccc1O	870988767	ZBHDDGBZSPKKQN-DYVFJYSZSA-N	312.413	3.296	10	20	DGCD	
Cc1ccc(CNc2cccc(CN3CCOCC3)c2)c(O)c1	876851509	KNWWCOIIRNIXLO-UHFFFAOYSA-N	312.413	3.145	10	20	DGCD	
C[C@@H](NCCCN[C@H](C)c1ccccc1O)c1ccccc1O	879648821	AVATXWZNICNRFK-HUUCEWRRSA-N	314.429	3.489	10	20	DGCD	
CC[C@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(Cl)c1O	775513987	PXZOSMLCYNSRIJ-XCBNKYQSSA-N	305.205	3.004	10	20	DGCD	
CCOCc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1	881379358	PLXVCKZCLCJRLX-UHFFFAOYSA-N	314.433	3.162	10	20	DGCD	
CC(C)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)on1	773002140	YDSIICRECOKDJV-GFCCVEGCSA-N	301.390	3.355	10	20	DGCD	
C[C@H](NC[C@H](O)[C@H](C)c1ccccc1)c1c(O)cccc1F	886640102	RJJGCBZDOOJLRJ-IGCXYCKISA-N	303.377	3.347	10	20	DGCD	
C[C@@H](NCCc1ccn(-c2ccccc2)n1)c1ccccc1O	783508407	KDYJWVNREAKCAZ-OAHLLOKOSA-N	307.397	3.471	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F	886526371	LHOPDKCAWGOSDP-NEPJUHHUSA-N	324.396	3.191	10	20	DGCD	
COc1ccc(CCN[C@@H](C)c2ccccc2O)c(OC)c1	783508467	KTVRFFIADDDSFE-ZDUSSCGKSA-N	301.386	3.303	10	20	DGCD	
Cc1noc(C[C@@H]2CCCN(Cc3cccc(Cl)c3O)C2)n1	897579266	SFPKFFCRUSPBFB-LBPRGKRZSA-N	321.808	3.192	10	20	DGCD	
CN(Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2	795973482	ZLIJXBJADFSLBK-UHFFFAOYSA-N	322.267	3.238	10	20	DGCD	
CCN(C)c1ccc(CN(C)c2ccc(OC)c(OC)c2)cn1	792174021	CMNPUGPTVZZHEB-UHFFFAOYSA-N	315.417	3.191	10	20	DGCD	
Cc1ccnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1	792247959	BKYPCJRIURLQOB-SFHVURJKSA-N	312.413	3.277	10	20	DGCD	
CCCC(=O)NCCC1=CCN(c2cc(C(C)C)ncn2)CC1	1089804436	IHBLMQNQQRXTGD-UHFFFAOYSA-N	316.449	3.043	10	20	DGCD	
CCOCc1cc(CN[C@@H]2CCCC[C@@H]2N(C)C)ccc1OC	1322714450	QSWHLIHMPVJDCM-MSOLQXFVSA-N	320.477	3.194	10	20	DGCD	
CO[C@H]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	1337237842	RVYZFQPBLRVBSH-PWSUYJOCSA-N	318.200	3.130	10	20	DGCD	
C[C@@H](NCc1cc(F)ccc1F)c1cc(C(=O)O)ccc1O	1604341910	MOPYKWAZBZZIDZ-SECBINFHSA-N	307.296	3.219	10	20	DGCD	
O=C(O)c1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1O)CC3	1602407840	UIBPHGVEEKULBV-UHFFFAOYSA-N	322.364	3.130	10	20	DGCD	
O=C(O)c1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCO3)CCC2	1602411757	DPPJVRAJCVLGTD-GOSISDBHSA-N	323.392	3.487	10	20	DGCD	
CC[C@@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1O	1590461320	AWAUSKYHOHZLOS-MLGOLLRUSA-N	323.400	3.374	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@H]32)c(C)c1	1776856826	OGYAJUZFVIVKJH-BURFUSLBSA-N	316.445	3.040	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)cc1C	1776821423	NOCXDMNLDAZCMI-LUKYLMHMSA-N	317.429	3.373	10	20	DGCD	
Cc1ccc(CCNCc2cc(Br)ccc2O)o1	689761398	AEBUBTQGRDAMNZ-UHFFFAOYSA-N	310.191	3.388	10	20	DGCD	
COc1cc(Cl)cc(CN(C)CCOC(C)(C)C)c1O	689895708	NHOOQHMEAWXVOT-UHFFFAOYSA-N	301.814	3.301	10	20	DGCD	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(N)cc1	841297201	CEZTXERISNEDMN-QGZVFWFLSA-N	313.401	3.074	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1	125757493	HJKMTVUVNITIID-TZMCWYRMSA-N	315.383	3.040	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccccc2O)cc1F	303393015	YKMOTLWPLKPAMV-UHFFFAOYSA-N	316.376	3.308	10	20	DGCD	
COc1c(C)cnc(CN(C)Cc2cc(F)ccc2O)c1C	183782664	HGSSZEDUEZYWHL-UHFFFAOYSA-N	304.365	3.184	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCN2CCCCCC2=O)c(O)c1	184867764	BPIRSGZBBPKIGM-OAHLLOKOSA-N	304.434	3.144	10	20	DGCD	
CCCC(O)(CCC)CC(=O)NCc1ccc(N(C)C)cc1	129689276	IKFOLNOYPAXANN-UHFFFAOYSA-N	306.450	3.090	10	20	DGCD	
COCC[C@](C)(O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1O	185467988	UCOQDIBQYRGDGB-XPTSAGLGSA-N	322.232	3.137	10	20	DGCD	
C[C@@H](NCC[S@](=O)C(C)(C)C)c1cc(Cl)ccc1O	185474783	HZMNNZPUTYDUSD-DGIBIBHMSA-N	303.855	3.243	10	20	DGCD	
CC[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O	186134807	OLDZWANXHZWIQG-YOEHRIQHSA-N	310.397	3.238	10	20	DGCD	
Cc1c(CNC(=O)c2ccnn2C(C)C)n(C)c2ccccc12	348669159	UXBPVOZISFLTJH-UHFFFAOYSA-N	310.401	3.194	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])s1	264163954	YUGQLCADZDTNAX-UHFFFAOYSA-N	320.370	3.414	10	20	DGCD	
CC(C)OCCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	267567977	MQTXDMHCDDXKST-UHFFFAOYSA-N	324.384	3.150	10	20	DGCD	
CCC[C@H](NCc1cc(OC)ccc1O)[C@@H](O)c1ccccc1	279635311	IPONGNXJFLOLFD-HKUYNNGSSA-N	315.413	3.393	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@]2(C)CCO[C@H]2C2CC2)c1O	273703673	DYSQKDMQERFQCJ-HOTGVXAUSA-N	311.809	3.101	10	20	DGCD	
Cc1nc(C)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)s1	273611048	VWCGMDUPOCSVQY-MRVPVSSYSA-N	307.375	3.225	10	20	DGCD	
CCCN(Cc1cc(OC)ccc1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	271881342	VCMIBZOWTZOLPB-NXHRZFHOSA-N	319.445	3.426	10	20	DGCD	
CC[C@@H](NCc1ccc(C)n(C)c1=O)c1ccc(N(C)C)cc1	279571895	SYIQECJNBUOYJW-GOSISDBHSA-N	313.445	3.001	10	20	DGCD	
CC[C@@](C)(OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	280539606	POKBOSZCSZRUSM-GOSISDBHSA-N	304.434	3.059	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@H]2c2nc(C)no2)c(O)c1	289845637	PSARWEPOBPTGOD-HNNXBMFYSA-N	317.389	3.210	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCC1=CCCOC1	287972785	NFEQUDVUCOAGDS-UHFFFAOYSA-N	318.417	3.051	10	20	DGCD	
CC[C@H](NCc1ccc(OC)c(O)c1)c1ccc(F)cc1O	286341807	YHLGYIXMZXOMFR-AWEZNQCLSA-N	305.349	3.486	10	20	DGCD	
Clc1ccc2c(n1)CC[C@H]2NCc1ccc2c(c1)CCO2	806138085	VPEMJEZCMVYMHX-CQSZACIVSA-N	300.789	3.447	10	20	DGCD	
COCCCONC(=O)c1cc(C)n(-c2ccccc2C)c1C	805045279	OAMWASPEBPIOML-UHFFFAOYSA-N	316.401	3.100	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](F)C(F)(F)F	291628658	SDOQABKEPKFYRR-LBPRGKRZSA-N	307.287	3.421	10	20	DGCD	
C[C@H](NCCN(C)C)c1cc(Br)cc(Cl)c1O	806171493	LDFQTOKYPMAUDJ-QMMMGPOBSA-N	321.646	3.020	10	20	DGCD	
CC[C@@]1(C)CC(=O)N(CN2CCCc3cc(OC)ccc32)C1	808169843	FVJUJXBAUHJFDX-SFHVURJKSA-N	302.418	3.054	10	20	DGCD	
COc1ccc(NCc2cc(Cl)c(F)cc2O)cc1CO	816525929	NRCKPKDGHZBCQT-UHFFFAOYSA-N	311.740	3.298	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)CN(C)C(C)C)ccc1OC	810163257	NCVVBUUYWVQLTO-HNNXBMFYSA-N	308.466	3.050	10	20	DGCD	
CC[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1O	817942303	NZNYXLPMOJJQBB-QZTJIDSGSA-N	313.445	3.199	10	20	DGCD	
CCCN(CC(=O)NC1CCC(C)CC1)Cc1ccccc1O	727831067	GKDREZHUANVYNO-UHFFFAOYSA-N	318.461	3.299	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)c2nccn2CC)ccc1OC	825005380	JBTYJUULPZEYOH-AWEZNQCLSA-N	317.433	3.299	10	20	DGCD	
COc1ccccc1[C@H](CO)NCc1cc(Cl)c(C)cc1O	825283511	LYWHDUNIPYOMNS-HNNXBMFYSA-N	321.804	3.186	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3c(O)n[nH]c3C)c2C)c1	820402275	JJYJPKSYGUYYCM-UHFFFAOYSA-N	324.384	3.392	10	20	DGCD	
CCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)c1cccc(O)c1	827909896	YTFYFKDBUWRYBT-UHFFFAOYSA-N	318.329	3.041	10	20	DGCD	
C[C@H](N)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1	827007869	FLGLEKNOUHAGFO-HNNXBMFYSA-N	323.440	3.237	10	20	DGCD	
CCSc1cccnc1C(=O)N(C)Cc1ccccc1O	825481590	OGRLYYXEFBVYNY-UHFFFAOYSA-N	302.399	3.171	10	20	DGCD	
COc1ccc(N(Cc2ccccc2)C[C@@H]2CCC(=O)O2)cc1	821391560	OGHHPSRTHLIWGO-SFHVURJKSA-N	311.381	3.407	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CN(CC)CC	731284234	NHVKZMKMWSBSEY-OAHLLOKOSA-N	321.465	3.044	10	20	DGCD	
CC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)Cc2ccccc2C1	588407867	JPNHIXXOGOLMIZ-CLFYSBASSA-N	323.392	3.032	10	20	DGCD	
CCOC(=O)c1ccccc1N(CC)C(=O)/C=C\c1cccnc1	735812647	JZZNIOZOVDFSFI-QXMHVHEDSA-N	324.380	3.325	10	20	DGCD	
COc1cccc(OCCCN[C@H]2CCc3cccc(O)c32)c1	834664875	XBHGUOSCYROCBP-KRWDZBQOSA-N	313.397	3.447	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(F)cc2F)cc1	746198875	WUUZOFQNJASRKO-UHFFFAOYSA-N	319.355	3.030	10	20	DGCD	
Cc1cccc(CN(C)C(=O)NCCc2ccc(N)cc2)c1C	841955489	DTDSTBDPJRWXIB-UHFFFAOYSA-N	311.429	3.270	10	20	DGCD	
CCCN(CCC)CCCc1nc(Cc2ccc(N)cc2)no1	843161912	QWYSXZSJPOZHHU-UHFFFAOYSA-N	316.449	3.297	10	20	DGCD	
CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)C12CCCC2	841299497	HQWKCDQXXMWVCH-LSDHHAIUSA-N	303.406	3.128	10	20	DGCD	
O=C(O)CC[C@H]1CCCC[C@H]1NCc1ccc2c(c1)CCO2	841812644	OTUGPZNBOKIHML-GDBMZVCRSA-N	303.402	3.135	10	20	DGCD	
C[C@@H]1C[C@@H](Nc2ccc3c(c2)nnn3C)c2c(O)ccc(F)c21	842900488	IYGYDIGIVMONDH-NOZJJQNGSA-N	312.348	3.473	10	20	DGCD	
Cc1cc(F)ccc1COC(=O)/C=C\c1ccc(O)c(O)c1	759596292	UEPMLIXFPDQVIS-CLTKARDFSA-N	302.301	3.302	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1nonc1C	926597132	USVWFJIKKTWJNR-CHWSQXEVSA-N	302.422	3.034	10	20	DGCD	
C[C@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1O	850583522	OLSNBFBEGRYOCI-VFZGTOFNSA-N	311.303	3.194	10	20	DGCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(C)c1	758773906	JRCGGGFVGXAPCN-UHFFFAOYSA-N	319.382	3.012	10	20	DGCD	
CC[C@H](COC)N[C@@H](C)c1cc(Br)c(F)cc1O	756596160	YGKXGFZZMXOGMQ-DTWKUNHWSA-N	320.202	3.369	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCc2cccc(F)c21	759619185	XLUQNZWFCGTUQV-ALCCZGGFSA-N	302.736	3.477	10	20	DGCD	
Cc1nocc1CNCc1ccc(N(C)C)cc1C(F)(F)F	865678215	AOLZFSCQLKBPJN-UHFFFAOYSA-N	313.323	3.358	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCC(F)(F)C2)c(C)n1-c1ccccn1	763869569	HDZWOEHTGYEMNH-ZDUSSCGKSA-N	319.355	3.407	10	20	DGCD	
CCN1CCN(c2ccc(CN[C@H](C)C(C)C)cc2F)CC1	765850722	ARVDPEKSXXHIIM-OAHLLOKOSA-N	307.457	3.102	10	20	DGCD	
COc1ccc2c(c1)CCCN2CN1C(=O)[C@@H]2CCCCC[C@H]21	766341054	JYRCOOCTGCRGHN-SJLPKXTDSA-N	314.429	3.196	10	20	DGCD	
CCCn1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1	775645756	AQYDTHIARXFASJ-ZDUSSCGKSA-N	315.421	3.242	10	20	DGCD	
C[C@H](NC(=O)c1c[nH]c2ncccc12)c1ccc(N(C)C)cc1	775402298	CHHDBQQFPZFWMK-LBPRGKRZSA-N	308.385	3.120	10	20	DGCD	
COc1cc(C)cc(CN(C)CC[C@H]2CCCCN2C)c1O	894053766	IMSITCGKNMAHTI-MRXNPFEDSA-N	306.450	3.015	10	20	DGCD	
CO[C@@](C)(CNCc1ccccc1O)COCc1ccccc1	702820087	SBDKMFOVCYHANP-IBGZPJMESA-N	315.413	3.104	10	20	DGCD	
CCN(CC)[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1204321275	IKSFJFSNOSAISS-IBGZPJMESA-N	301.478	3.203	10	20	DGCD	
O=C(Nc1ccc2c(cnn2C(F)F)c1)c1cccc(O)c1O	790900255	YBEHSLZVBFKHGL-UHFFFAOYSA-N	319.267	3.095	10	20	DGCD	
CCC[C@](C)(CC)C(=O)NCc1ccc(N2CCOCC2)cc1	793161794	HIYNNFAPXODXMR-IBGZPJMESA-N	318.461	3.356	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c(O)c1	792983958	GTZJAGLAUDPVBG-HIFRSBDPSA-N	320.433	3.415	10	20	DGCD	
COc1ccc(CN[C@@H]2CCN(C(=O)CC(C)C)[C@H]2C)cc1C	985899166	NONINSWWQGXWJZ-DOTOQJQBSA-N	318.461	3.129	10	20	DGCD	
CC(C)(CNCc1ccc(N2CCCC2)cc1)CN1CCCC1	1326257203	PPXSQBQYTMYEIB-UHFFFAOYSA-N	315.505	3.498	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@@]2(C)CCCC[C@@H]2O)cc1F	1331273130	VQRDPKLDDPQBNF-DLBZAZTESA-N	312.404	3.062	10	20	DGCD	
Cc1nn(C)c(C)c1CNCc1cc(Cl)cc(Cl)c1O	112018066	YMSAMSIAJUJTRR-UHFFFAOYSA-N	314.216	3.339	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ccc(Cl)c(C(=O)O)n2)c1	1600465014	NIBCWRAZCZRAMP-JTQLQIEISA-N	320.776	3.298	10	20	DGCD	
O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1ccccc1O	1610736677	YOCJOGPZRURKAE-CVEARBPZSA-N	303.402	3.248	10	20	DGCD	
COc1ccc(O)c(CNc2cc(C(=O)O)cc3cccnc23)c1	1599598136	FLDXGOCCFFEUPT-UHFFFAOYSA-N	324.336	3.259	10	20	DGCD	
CN(C)c1ccc(/C=C(\CC(=O)O)c2ccc(C=O)o2)cc1F	1777039266	VBEFJECRIWTFHN-KPKJPENVSA-N	317.316	3.313	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C3CC3)CCC2)c1	162881709	FEABRHBPDNERNZ-GFCCVEGCSA-N	318.417	3.341	10	20	DGCD	
Cc1cc(C(=O)CN(C)Cc2ccccc2O)c(C)n1C1CC1	109771303	RFGDUGIWVDTILZ-UHFFFAOYSA-N	312.413	3.460	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1O	136492161	XCEOHHVLENWJFS-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
C[C@@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCCC3)cc2)O1	175369267	PNWXEWALNCWDDG-CRAIPNDOSA-N	316.445	3.251	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(CC(N)=O)cc2)cc1	122195484	LXKLTYMWDGFECQ-UHFFFAOYSA-N	311.429	3.173	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCN(C)CC(F)(F)F)c(O)c1	185027027	OFIXTASAKOLDJF-GFCCVEGCSA-N	304.356	3.235	10	20	DGCD	
C[C@@H](NCc1cccc(N(C)C)n1)c1cc(Cl)ccc1O	186179160	WPQVMJFNOWYXJT-LLVKDONJSA-N	305.809	3.357	10	20	DGCD	
CCCOc1ccc(CNc2nnc(CC(C)C)o2)c(O)c1	181772059	MEAZXGRCNFASRU-UHFFFAOYSA-N	305.378	3.375	10	20	DGCD	
C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1	93482181	HOWHNLDGQNAIKW-APWZRJJASA-N	302.462	3.412	10	20	DGCD	
CC(C)(C)[C@H](CCO)NCc1cc(Br)ccc1O	231073527	NROSWCDIFPEMAU-ZDUSSCGKSA-N	316.239	3.041	10	20	DGCD	
COc1ccc([C@H](NC(=O)Cc2ccc(N)cc2)C2CC2)cc1	237351673	IHIAESISJFXJLT-LJQANCHMSA-N	310.397	3.087	10	20	DGCD	
CCOc1ccc(O)c(CN2CCN(c3cccs3)CC2)c1	93692292	MJFGMXGUEQGGNG-UHFFFAOYSA-N	318.442	3.175	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@H]1C[C@H]2CC[C@H]1C2	245759737	VJUFPNWMMBXVOX-DTRNTQJXSA-N	301.386	3.054	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1O	246550767	YPSFFKJFFRIPSM-UKTARXLSSA-N	318.417	3.025	10	20	DGCD	
C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1	271545066	ZAFUPCLDCVDECW-SJKOYZFVSA-N	320.383	3.415	10	20	DGCD	
OC[C@]1(CNCc2c(O)cccc2Cl)C[C@H]1c1ccccc1	289957950	VFSJBWPNBOHPRS-MAUKXSAKSA-N	317.816	3.301	10	20	DGCD	
Cc1cc(CN[C@H]2CCCC23CCOCC3)ccc1N(C)C	282103858	ISZMEEHURYKGLP-SFHVURJKSA-N	302.462	3.500	10	20	DGCD	
CC[C@@H](NCc1ccc(NC(C)=O)nc1)c1ccc(F)cc1O	286378517	ANULGXYTOXFJAU-OAHLLOKOSA-N	317.364	3.126	10	20	DGCD	
CCCOc1ccc(CN2CC[C@]3(CCCN(C)C3)C2)c(O)c1	293661034	NXPACNWRBZZWOI-IBGZPJMESA-N	318.461	3.099	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1C	294875825	DBTIEAKKABAVHT-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)C1=CCCCC1	295189995	KUMRBYGHBOBJBB-UHFFFAOYSA-N	305.758	3.384	10	20	DGCD	
Cc1ccc(O)c(CN(CCN(C)C)Cc2ccc(C)o2)c1	809735603	LYCBGWVQDATICQ-UHFFFAOYSA-N	302.418	3.166	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)c1ccccc1O	808724514	WKRRTXGSWFMMPM-NRSFXHEJSA-N	316.445	3.080	10	20	DGCD	
CCN(CC)c1ccc(CNCCc2nccnc2C)cc1F	293185624	WWMANKZAGUKJCH-UHFFFAOYSA-N	316.424	3.103	10	20	DGCD	
CC[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O	806148078	QHHDYKFCJBWNPC-BXUZGUMPSA-N	324.852	3.486	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@H](n4cccn4)C3)c2c1	812294419	MNOHEMDDPLBSGN-HNNXBMFYSA-N	323.396	3.198	10	20	DGCD	
CC1=CC[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC1	816539205	WLYYCZLUMCWSJA-IBGZPJMESA-N	314.473	3.484	10	20	DGCD	
CCCN(CC)C[C@@H](C)NCc1cc(Cl)cc(F)c1O	811520463	PGRDDOXRMBDYPS-LLVKDONJSA-N	302.821	3.395	10	20	DGCD	
Cc1cc(O)c(CNC[C@](C)(O)c2ccccc2)cc1Cl	825284030	WPMBOEKSPLUXFM-KRWDZBQOSA-N	305.805	3.351	10	20	DGCD	
Cc1ncsc1CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	839729145	RQTBKOIGAKHFHQ-LBPRGKRZSA-N	317.458	3.328	10	20	DGCD	
C[S@](=O)Cc1ccc(CN[C@H]2CCc3cccc(O)c32)cc1	834799233	XQNAJHBXLRGSHV-AOMKIAJQSA-N	315.438	3.048	10	20	DGCD	
CCc1oc(C(=O)O)cc1CN(C)c1ccc(OC)cc1OC	833679296	XUIFLBWBZZGWLP-UHFFFAOYSA-N	319.357	3.194	10	20	DGCD	
Cc1c(NC(=O)c2c(F)ccc(O)c2O)cnn1C1CCCC1	830549529	OQIDWDVBJMEYJZ-UHFFFAOYSA-N	319.336	3.109	10	20	DGCD	
CCc1cccc(CNc2ccccc2C[S@@](C)=O)c1O	848903266	OWKPNQNHUYIWPW-OAQYLSRUSA-N	303.427	3.445	10	20	DGCD	
CC(C)OC(=O)C[C@H](NCc1ccc2c(c1)CCO2)C(C)C	848926877	GMWJHFLUIPPBRW-INIZCTEOSA-N	305.418	3.077	10	20	DGCD	
CCN(CC)c1ccc(CNCCN(CC)C(C)C)cc1F	740004222	KAQRSZYIPQFSJQ-UHFFFAOYSA-N	309.473	3.492	10	20	DGCD	
C[C@@H](C(=O)O)C1(NCc2ccc(N3CCCCC3)cc2)CC1	844292057	CRCXSDMFAZZZBM-AWEZNQCLSA-N	302.418	3.020	10	20	DGCD	
C[C@H](CCCC(F)(F)F)NC[C@@H](N)c1ccc(N(C)C)cc1	841045532	MKZQKWLUGHQZAA-IUODEOHRSA-N	317.399	3.463	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@]2(CC)CCCN2)cc1	844167167	SVPFFBFWWOWFOA-IBGZPJMESA-N	317.477	3.023	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]([C@H]3CCCNC3)C2)c(O)c1	843127925	UPWILJXLWVHZHM-JKSUJKDBSA-N	318.461	3.003	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc(Cl)cc2)cc1	841041443	CGDVKHRNEWEMKN-QGZVFWFLSA-N	303.837	3.196	10	20	DGCD	
OC[C@@H](CNCc1ccc2c(c1)CCCO2)c1ccc(F)cc1	922186989	XOJPGKKXSNKEBR-QGZVFWFLSA-N	315.388	3.016	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1	858404985	ZWYYCRBMFQJEGE-JKSUJKDBSA-N	314.360	3.195	10	20	DGCD	
CC[C@H]1CCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	765287481	QBJFQPUBHUHTRW-MAUKXSAKSA-N	320.452	3.455	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](CO)Cc2ccco2)cc1	768842036	OPNNRHIKWRAEAF-KRWDZBQOSA-N	316.445	3.067	10	20	DGCD	
CCCc1nnc(NC(=O)N[C@H](C)c2ccccc2O)s1	878016263	SMWYZOXMSOUJHT-SECBINFHSA-N	306.391	3.079	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H](CO)CC(F)(F)F)cc1	773108304	WAGLRRNQTQIFOO-YPMHNXCESA-N	304.356	3.107	10	20	DGCD	
CC[C@@H](Nc1cccc(C(N)=O)c1OC)c1ccccc1O	775551431	MPZZWAHSSRBDRS-CYBMUJFWSA-N	300.358	3.063	10	20	DGCD	
Cc1cccc(O)c1CN(C)[C@@H](C)CNC(=O)OC(C)(C)C	876728632	QZVPNBYDDUNLSZ-ZDUSSCGKSA-N	308.422	3.046	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(N(C)C)c(F)c1	779432630	XXRQHRLMGXKJBB-KDOFPFPSSA-N	322.424	3.103	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(F)cc2F)c(O)c1OC	891559107	IZCDGHMAOFXBQX-UHFFFAOYSA-N	323.339	3.320	10	20	DGCD	
COc1ccc(CNC(C2CCC2)C2CCC2)c(O)c1OC	894429741	JPTXRHBOXIJNLK-UHFFFAOYSA-N	305.418	3.468	10	20	DGCD	
CC(C)(C)OCCCCOC(=O)/C=C\c1ccc(O)c(O)c1	789071686	CNVOWAZZOUTRFD-CLFYSBASSA-N	308.374	3.250	10	20	DGCD	
Cc1ccc(N[C@H](C)c2ccccc2O)cc1N1CCNC1=O	786987507	HBCHRFFHSLCXKP-CYBMUJFWSA-N	311.385	3.403	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCOC3)C2)cc1C(C)C	794707406	RWIORVCONDVEOQ-HNAYVOBHSA-N	319.445	3.204	10	20	DGCD	
COc1cc(C)cc(CNCCCCN2CCC[C@@H](C)C2)c1O	894179867	HYUKMXIFFCLVKI-OAHLLOKOSA-N	320.477	3.311	10	20	DGCD	
CCCC(=O)N[C@H](C)C[C@H](C)NCc1ccc(OC)c(C)c1	1133508834	PQDLPONMYCZPIO-LSDHHAIUSA-N	306.450	3.177	10	20	DGCD	
CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N(C)C)cc1C	795092936	HQOLNDUVXRCHMS-UHFFFAOYSA-N	317.393	3.106	10	20	DGCD	
CCCCC(=O)N1CCC[C@@H](NCc2ccc(OC)c(C)c2)C1	1207385896	ZFUDORFMDCGVPW-QGZVFWFLSA-N	318.461	3.274	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@]3(CCO[C@@H]3C)C2)cc1C(C)C	794661302	HDJYCBQYZMVQGV-DNVCBOLYSA-N	319.445	3.204	10	20	DGCD	
COC(=O)CCN(Cc1c(O)ccc(Cl)c1F)CC(C)C	792167392	SCTQHQATZBDMGA-UHFFFAOYSA-N	317.788	3.206	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCNC(=O)C(C)C	1323828649	CCEXVOFHXGCOSZ-KGLIPLIRSA-N	304.434	3.001	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C	1320509417	PYQQJFKMXYRFOY-CVEARBPZSA-N	319.468	3.055	10	20	DGCD	
Cc1sc(C(=O)O)cc1NC(=O)N[C@H](C)c1ccccc1O	1608063342	OLRYSDGZUZEULE-MRVPVSSYSA-N	320.370	3.343	10	20	DGCD	
O=C(O)CN(Cc1ccccc1)Cc1cc(Cl)c(F)cc1O	1602060001	CXQPTPRVCQQGAU-UHFFFAOYSA-N	323.751	3.272	10	20	DGCD	
COc1ccc(CN[C@H](C(=O)O)c2cc(F)ccc2F)cc1C	1610336233	PSMOFVGHAJXYMT-INIZCTEOSA-N	321.323	3.197	10	20	DGCD	
CO[C@@H](CSc1ncc(C(=O)O)s1)Cc1ccccc1	1599060339	UGFMVLJFCIKGNT-LLVKDONJSA-N	309.412	3.191	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](C)[C@H](C(=O)O)C(C)C)ccc21	1776875117	GPNPCLNHSJHQAZ-RDTXWAMCSA-N	318.461	3.294	10	20	DGCD	
CC(C)CC[C@@](C)(NCc1cc(F)cc(F)c1O)C(=O)O	1776334647	RSSBPYMXTDIJKS-OAHLLOKOSA-N	301.333	3.040	10	20	DGCD	
Oc1ccccc1CN(Cc1cncs1)C[C@@H]1CCCO1	160173924	MXDMLBOYRGMWKD-AWEZNQCLSA-N	304.415	3.030	10	20	DGCD	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1O	152488115	KSYNNPNXDZMXOH-HUUCEWRRSA-N	320.433	3.318	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](C)SC)cc1F	119693680	FXYUDGDJGLVFOB-GFCCVEGCSA-N	312.454	3.430	10	20	DGCD	
Cc1nc(CCCC(=O)NCc2ccc(N(C)C)cc2)cs1	175048703	TYYQKZCUPYNJJO-UHFFFAOYSA-N	317.458	3.157	10	20	DGCD	
COc1ccc(C)cc1COC(=O)c1ccc(C)c(O)c1O	110524232	SBXKBOIMBMAEOW-UHFFFAOYSA-N	302.326	3.080	10	20	DGCD	
COc1cc(F)c([C@H](C)NCc2ccc(N)cc2)cc1OC	1352788141	DFAPHOBSGCWIAC-NSHDSACASA-N	304.365	3.276	10	20	DGCD	
C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(N2CCCC2)cc1	178196468	SWHMMVNUPHVHHQ-YJBOKZPZSA-N	316.445	3.361	10	20	DGCD	
CC(C)(C)C[C@@H](NC(=O)c1cccc(O)c1O)C(F)(F)F	187220559	XEZZZEOJSURUHL-SNVBAGLBSA-N	305.296	3.195	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2ccc(Cl)nc2)c1	185750841	GSKDCHHJHCTYBV-LLVKDONJSA-N	306.793	3.343	10	20	DGCD	
C[C@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	47098327	PTWCZJIZGLZZQB-RDJZCZTQSA-N	315.461	3.474	10	20	DGCD	
CCOC(=O)C1CCC(N[C@@H](C)c2cc(OC)ccc2O)CC1	321316746	PVLRRIHJYRVZIM-HSBZDZAISA-N	321.417	3.173	10	20	DGCD	
O=C1/C(=C/c2csc([N+](=O)[O-])c2)SC(=S)N1C1CC1	48642774	XRQIOHXDBPIZLX-BAQGIRSFSA-N	312.397	3.020	10	20	DGCD	
COC(=O)[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1	321406822	ISPZBUPNFQQSQM-RDTXWAMCSA-N	312.413	3.318	10	20	DGCD	
CCCc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1	134524332	SDXUPUDFFZWVRL-UHFFFAOYSA-N	314.385	3.415	10	20	DGCD	
CC[C@H](NC[C@H](C)CCO)c1cc(Br)ccc1O	97439470	OOKWEVKXIKGQBE-MFKMUULPSA-N	316.239	3.214	10	20	DGCD	
COCCC1CCN(Cc2c(O)ccc(Cl)c2F)CC1	529638670	UWJXCXIPLJUNET-UHFFFAOYSA-N	301.789	3.433	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC1(Cl)Cl	268653441	RZSXKEFDHNINSI-NSHDSACASA-N	302.201	3.325	10	20	DGCD	
C[C@@H](NC[C@H](O)c1ccccc1F)c1ccc(N(C)C)cc1	268767384	CLSCURWQLZSVMA-ACJLOTCBSA-N	302.393	3.276	10	20	DGCD	
CC[C@H](C)[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	277522377	YVGCSOXNWDOMOV-CPCISQLKSA-N	306.189	3.288	10	20	DGCD	
COC[C@H](CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1)OC	272629791	AONVOYZAEZIICG-ZBFHGGJFSA-N	324.440	3.128	10	20	DGCD	
COc1cc(O)c(CN[C@@H](C)CCc2ccco2)cc1OC	271912499	MPHMOJCFAMCGDS-LBPRGKRZSA-N	305.374	3.113	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC([C@@H]2CCOC2)C1	373466361	OERDXGTYLAFFHH-SECBINFHSA-N	302.201	3.167	10	20	DGCD	
C[C@H](NCc1cncn1C)c1cc(Cl)c(Cl)cc1O	289980715	XXNBXMGVYWMXRQ-QMMMGPOBSA-N	300.189	3.283	10	20	DGCD	
c1cncc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1	809728553	BCAMSVWGQIIQTM-HXUWFJFHSA-N	323.440	3.255	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(F)cc1F	808093291	MBLUULPGKPTLRF-UHFFFAOYSA-N	312.312	3.086	10	20	DGCD	
CC(C)c1nnc(CN[C@H](C)c2cc3c(cc2O)CCCC3)[nH]1	296504541	PGALWERHDAKWNA-GFCCVEGCSA-N	314.433	3.363	10	20	DGCD	
C[C@H](CO)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1	809744955	AMCUKCQQDSYPJE-MRXNPFEDSA-N	310.441	3.062	10	20	DGCD	
CC[C@H](NCCNC1CC1)c1ccc(C(F)(F)F)cc1O	817953560	OFRPSKMLVVZLMT-ZDUSSCGKSA-N	302.340	3.204	10	20	DGCD	
Oc1ccccc1[C@H](CCc1ccccc1)NC1CCNCC1	817937536	XLXOFIIFIBFESK-IBGZPJMESA-N	310.441	3.408	10	20	DGCD	
CC1(C)CN(Cc2ccccc2O)C[C@@](C)(C(F)(F)F)O1	816643072	UJUQRVIZZAXKCG-AWEZNQCLSA-N	303.324	3.324	10	20	DGCD	
C[C@H]1CC[C@H](C)N1C(=O)c1csc(Cc2ccc(N)cc2)n1	817960287	LRNNLABSDWRTCY-RYUDHWBXSA-N	315.442	3.329	10	20	DGCD	
Oc1c(CNCc2cnc3n2CCCC3)ccc2ccccc12	816603151	AOPPCTTZFFXYHO-UHFFFAOYSA-N	307.397	3.368	10	20	DGCD	
Cc1ccc(C(=O)OCCOc2ccccc2Cl)c(O)c1O	727004272	QTUGZYJRKWTTNJ-UHFFFAOYSA-N	322.744	3.295	10	20	DGCD	
CN(CC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C	727032252	HHCYYZHDESHUNR-UHFFFAOYSA-N	303.450	3.257	10	20	DGCD	
Cc1cc(CN2CCC[C@H]2[C@@H]2CCCOC2)ccc1N(C)C	828910097	CNIIEXLQEQSRCI-MJGOQNOKSA-N	302.462	3.452	10	20	DGCD	
CCN(CC)c1ccc(CNC(=S)NCC(C)C)cc1F	731319906	QWHLXDYNQVILPM-UHFFFAOYSA-N	311.470	3.292	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](C(C)(C)C(=O)O)C2)cc1C	833746931	LYTCXRJNHVNRJQ-HNNXBMFYSA-N	305.418	3.332	10	20	DGCD	
CCCCCNC(=O)CN(Cc1ccccc1O)C1CCCC1	733613906	PQEDRRZWSVDOLD-UHFFFAOYSA-N	318.461	3.443	10	20	DGCD	
C[C@H](NC[C@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1O	834908884	MQDWHOMKZQMYPQ-RTHLEPHNSA-N	317.216	3.018	10	20	DGCD	
O=C1C[C@@H]2CC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O	839132324	YYFROEARBXINOP-PHIMTYICSA-N	300.185	3.395	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CCCO1	914724859	ANUGHSCJGCMVSQ-SFHVURJKSA-N	318.461	3.449	10	20	DGCD	
CO[C@H](CNC(=O)c1cc(O)cs1)c1ccc(Cl)cc1	743678560	LZIISGLEGDDGSK-GFCCVEGCSA-N	311.790	3.225	10	20	DGCD	
COc1ccc(CN[C@@H](C(=O)O)[C@@H](C)c2ccccc2)cc1C	849230539	IEHKPQMIRVPRKA-KBXCAEBGSA-N	313.397	3.350	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\c1cccs1	742951940	BRCABKQYQHQHOK-VURMDHGXSA-N	314.410	3.253	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1F	741262808	WOLWVMNZQVMWJF-QGZVFWFLSA-N	320.408	3.397	10	20	DGCD	
CCN(Cc1cc2n(n1)CCCC2)c1ccc(OC)c(OC)c1	844305707	RQAGKMSJSXLXRS-UHFFFAOYSA-N	315.417	3.263	10	20	DGCD	
C[C@H]1C[C@H](NCc2cc(C3CC3)nn2C)c2c(O)ccc(F)c21	927100734	JBLWBGWAHCOYNO-BONVTDFDSA-N	315.392	3.480	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](C)c2c(C)noc2C)c1O	846158162	UEOLTCAMNOIGOM-WDEREUQCSA-N	304.390	3.460	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@@H]2COC3(CCCC3)O2)c2c(O)ccc(F)c21	756785952	HCVLLGGNJFRMRW-BZPMIXESSA-N	321.392	3.355	10	20	DGCD	
COc1ccc(CNC2CCC3(CCOCC3)CC2)c(O)c1	752267458	ZBORNZBQZPFSHX-UHFFFAOYSA-N	305.418	3.230	10	20	DGCD	
CCC(O)(CC)C(C)(C)CNC(=O)NCc1cc(C)ccc1O	858603255	VHZDITLYWNGQGG-UHFFFAOYSA-N	322.449	3.077	10	20	DGCD	
CCC[C@H](O)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1	750317375	WZAKXJDDRGFKEX-SFHVURJKSA-N	318.461	3.090	10	20	DGCD	
Cc1ccc(O)c(CNCc2c(Cl)nc(Cl)n2C)c1	858237270	IJRGMOPAIMYASD-UHFFFAOYSA-N	300.189	3.031	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)C3(OC)CCC3)C2)cc1	850475290	YXQGEDFSZUUNDS-CVEARBPZSA-N	318.461	3.069	10	20	DGCD	
Oc1cc2c(cc1CN1CCO[C@H](C(F)(F)F)C1)CCCC2	768445182	GIVILXITQCRGFA-HNNXBMFYSA-N	315.335	3.034	10	20	DGCD	
CN(C)c1cc(F)c(CNc2nnc(C(C)(C)C)o2)cc1F	865289364	HMIMJYGZRFMEPT-UHFFFAOYSA-N	310.348	3.323	10	20	DGCD	
Cc1cc2c(N[C@@H](C)Cc3ccc(O)c(O)c3)ncnc2s1	762800911	YTXZVYFYDILLRA-VIFPVBQESA-N	315.398	3.454	10	20	DGCD	
CCOc1ccc(O)c(CN(C)CCOc2ccc(F)cc2)c1	768213339	QWVVOEOKHGSMTA-UHFFFAOYSA-N	319.376	3.441	10	20	DGCD	
C[C@H]1CN(Cc2cccc(Cl)c2O)C[C@H](C(F)(F)F)O1	775719088	BZHRWGPLIDIQQC-GZMMTYOYSA-N	309.715	3.197	10	20	DGCD	
CN(C)[C@@H]1CCCC[C@H]1NCc1ccc(N2CCCC2)cc1	1116032463	JSZVZRUJCKWTJO-RTBURBONSA-N	301.478	3.249	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc2c(c1)COC2)c1ccc(N(C)C)cc1	773014934	NQNMCUPFSFDDCA-CQSZACIVSA-N	324.424	3.203	10	20	DGCD	
Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c(O)c1	877600315	MGKITUMNZSNUKT-SFHVURJKSA-N	301.430	3.482	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC([C@@H](O)C(F)(F)F)CC1	775725086	HHSIXEWKLLXVOB-CYBMUJFWSA-N	323.742	3.181	10	20	DGCD	
Cc1ccncc1[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1	770721911	BGCDBEQXVHYIFH-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NOC1CCCCC1	777553776	WBHURJUHSIWTER-UHFFFAOYSA-N	315.417	3.126	10	20	DGCD	
C[C@H](NCCn1ccc(C(F)(F)F)n1)c1c(O)cccc1F	886649465	BFVRFUQWVJRQCU-VIFPVBQESA-N	317.286	3.097	10	20	DGCD	
CC[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H](C)O	789949207	FWZUGWDFGNEFGY-YJBOKZPZSA-N	318.461	3.042	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC2(CCC2)[C@@H]1c1cccnc1	898410822	QLTOQQAHBXCFIX-AWEZNQCLSA-N	300.383	3.216	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NCCC3(C)CC3)ccc21	792057341	BRBSDLBLRFOXQO-UHFFFAOYSA-N	301.434	3.058	10	20	DGCD	
CCn1ncnc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1	794840475	IQEREKRZYNIECR-HNNXBMFYSA-N	313.449	3.139	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)CCCC(C)C)c(O)c1	792777871	OAERVVQEQKNXMU-CYBMUJFWSA-N	308.422	3.415	10	20	DGCD	
O=[N+]([O-])c1ccc(Cl)cc1NCCc1ccc(O)c(O)c1	798217329	MTIRLUPJWGONFN-UHFFFAOYSA-N	308.721	3.314	10	20	DGCD	
COC(=O)CN(Cc1c(O)ccc(Cl)c1F)C1CCCC1	792171253	ZZWBRBWXGGSYSY-UHFFFAOYSA-N	315.772	3.102	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C)c2nnc3ccccn23)cc1	1343897963	IAMAFMJIKXGMSQ-AWEZNQCLSA-N	309.417	3.036	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC(C)(C)CF	1345068437	URZVZVVLSBWMKK-ZDUSSCGKSA-N	309.429	3.039	10	20	DGCD	
Cc1cccc(CN(Cc2ccccc2)C[C@@H](C)C(=O)O)c1O	1600532566	MLXNSRIHAXNZJO-OAHLLOKOSA-N	313.397	3.424	10	20	DGCD	
O=C(O)[C@H](CNCc1cc(F)c(F)cc1O)CC1CCCC1	1601653332	FOBOUZLVJKRHPM-LBPRGKRZSA-N	313.344	3.041	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C(=O)O)c2ccccc2)cc1Cl	1600286093	KHZVAADRRXJFIK-HNNXBMFYSA-N	305.761	3.270	10	20	DGCD	
COCC1(CN[C@@H](C)c2cc(C(=O)O)ccc2O)CCCCC1	1606840785	KTZWNXJAUZFHLV-ZDUSSCGKSA-N	321.417	3.338	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C(=O)O)c2ccccc2C)c1	1599598814	UOGDYZXQZPFCMF-PXAZEXFGSA-N	315.369	3.186	10	20	DGCD	
COCc1cccc(N[C@H](C)c2cc(C(=O)O)ccc2O)c1	1599297050	GSXCFHMLMYQZTK-LLVKDONJSA-N	301.342	3.410	10	20	DGCD	
CC1([C@@H](NCc2ccc(N3CCCCC3)cc2)C(=O)O)CC1	1776513859	CNJCPOXFAGLBHG-INIZCTEOSA-N	302.418	3.020	10	20	DGCD	
CCCC[C@H](NCc1ccc2c(c1)CCCN2CC)C(=O)O	1776774683	LKBLTRYLZDODAE-INIZCTEOSA-N	304.434	3.192	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H](c2ccccc2)C2CC2)c1	158652616	OTMQLAVMXYDLPG-SFHVURJKSA-N	311.381	3.211	10	20	DGCD	
CC(C)(C)c1cnc(SCC(=O)NCc2ccccn2)s1	164197129	IBGLZEYQENWGNM-UHFFFAOYSA-N	321.471	3.244	10	20	DGCD	
Cc1cccc(O)c1CNCc1nc(C(F)(F)F)cs1	877058017	SKBPPCCSMWSFHJ-UHFFFAOYSA-N	302.321	3.466	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1C(=O)O	380164201	ZYRZKXKSDMGCRH-GZMMTYOYSA-N	318.200	3.242	10	20	DGCD	
C[C@H]1CCCCN1C[C@@H]1CCCN(Cc2ccccc2O)C1	179564253	MVNYOMITPIQXIU-DLBZAZTESA-N	302.462	3.479	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1cccnc1	66697862	YKCLMISXNQCMAN-CQSZACIVSA-N	313.401	3.470	10	20	DGCD	
Cc1coc(-c2cccc(NC(=O)c3cccc(O)c3O)c2)n1	187186127	PMESOMXBDCJOQH-UHFFFAOYSA-N	310.309	3.314	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(C)c1	189424620	QBYBAHLJYVCKLW-UHFFFAOYSA-N	309.362	3.203	10	20	DGCD	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccccc1O	77850277	ARSFEELHBNZWIE-DLBZAZTESA-N	310.397	3.398	10	20	DGCD	
COc1cccc(CNC(=O)NCc2ccc(C)cc2C)c1O	73777478	HSOXLWNXQIANSH-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC2(C)C)c1	78366028	CVQWCWZLKKNJSU-NHYWBVRUSA-N	306.406	3.340	10	20	DGCD	
Cc1ccc(F)cc1C(=O)N1CCOc2cc(N(C)C)ccc21	72540698	AQVCUBPJTXALCT-UHFFFAOYSA-N	314.360	3.239	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc2ccccc12	183450721	DKJHIQOGQNOSBW-LLVKDONJSA-N	311.337	3.205	10	20	DGCD	
CC(C)(C(=O)O)[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1	135049158	UCSHFIJCAOFQNK-LLVKDONJSA-N	311.809	3.368	10	20	DGCD	
CC[C@@H](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	189695750	IWVCVXZERXKJRC-GDBMZVCRSA-N	305.418	3.336	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@H](CN2CCCCC2)C1	131165488	OCLUALDBOSNEFW-CQSZACIVSA-N	308.853	3.353	10	20	DGCD	
COc1cccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1O	91958680	QQEDAJIBORUFLU-GJZGRUSLSA-N	317.385	3.082	10	20	DGCD	
COc1cccc(CN2CCc3c([nH]c4ccccc34)C2)c1O	93758942	RJLMIGYKUYLGCS-UHFFFAOYSA-N	308.381	3.440	10	20	DGCD	
Cc1ccc(O)c(CN2CCO[C@H](c3ccccc3F)C2)c1	92975342	BRIVGPMNJKKZMW-SFHVURJKSA-N	301.361	3.413	10	20	DGCD	
CCOc1ccccc1[C@H](CC)NC(=O)Cc1ccc(N)cc1	236998978	NLWGMQGXUPSHIM-KRWDZBQOSA-N	312.413	3.478	10	20	DGCD	
COCC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(C)o1	272210935	CJRJVTDJHFDGOL-MRXNPFEDSA-N	301.386	3.390	10	20	DGCD	
COc1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)cc1C	274326422	YHUKVOZPQMKJGW-JTSKRJEESA-N	317.454	3.213	10	20	DGCD	
CC(C)CO[C@@H](C)c1noc(COc2ccc(N(C)C)cc2)n1	278752220	SBEHYUNMMAIFIP-ZDUSSCGKSA-N	319.405	3.448	10	20	DGCD	
CC[C@H](N[C@H]1CCCc2c1cnn2C)c1ccc(F)cc1O	285791346	USHYUERWQUBCDO-GJZGRUSLSA-N	303.381	3.383	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)C2)c1O	385827272	ZFSADMWYKZUIIY-SNVBAGLBSA-N	305.271	3.118	10	20	DGCD	
CCc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)co1	807838348	PNHJWIHZSAWEEQ-UHFFFAOYSA-N	315.156	3.179	10	20	DGCD	
Cc1cccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1	808114964	JGGMPYKIQBMCGZ-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
COc1ccc2c(c1)OCCN(Cc1cc(Cl)ccc1O)C2	802658959	BBFHFDMRCVHTIH-UHFFFAOYSA-N	319.788	3.449	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCC2(O)CCC2)cc1	803703615	RYVPGJLVZDLJJQ-UHFFFAOYSA-N	312.413	3.129	10	20	DGCD	
CCCN(CCN1CCCC1)Cc1cc(Cl)cc(F)c1O	809700397	GEJGBZWSOAVCOZ-UHFFFAOYSA-N	314.832	3.493	10	20	DGCD	
CC(C)C(C)(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	817927867	RPGWLKORZQNTRN-UHFFFAOYSA-N	317.458	3.481	10	20	DGCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4cc(Cl)c(F)cc4O)[C@@H]1[C@H]3C2	816608395	YNLJMRAVXWAFQH-CTWVWSKESA-N	311.784	3.040	10	20	DGCD	
Cc1noc([C@H](C)NCc2cc(Cl)cc(Cl)c2O)n1	729684379	NOELVEFAZDZPSN-LURJTMIESA-N	302.161	3.241	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@@H](N(C)c3ccccc3)C2)c1	827544511	CSKUFFIHHSMPOE-QGZVFWFLSA-N	312.413	3.112	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CC(F)(F)F)C(=O)O)cc1	901780299	OSCYQPPLQJVJSU-CYBMUJFWSA-N	318.339	3.028	10	20	DGCD	
Cc1cc(O)c(CN[C@]2(CO)CCc3ccccc32)cc1Cl	825374582	CJLBYJLHPCPYPP-SFHVURJKSA-N	317.816	3.278	10	20	DGCD	
CC[C@](C)(CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC	834881595	AYYMLBSVWYOCRE-KBXCAEBGSA-N	324.440	3.128	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1nc2ccccc2n1C	735925367	FMALEUIQYKTWDJ-CYBMUJFWSA-N	307.397	3.359	10	20	DGCD	
O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cc(O)cs1	732282532	PVGKELFEIGTALO-UKRRQHHQSA-N	303.383	3.104	10	20	DGCD	
CC[C@@H](N[C@@H](C)Cc1cnn(C)c1)c1cc(Cl)ccc1O	834895948	FROBXCYKNKOHQS-XHDPSFHLSA-N	307.825	3.451	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(C(=O)O)s2)c1	833733808	QSMHJHCWWVSECV-VIFPVBQESA-N	307.371	3.011	10	20	DGCD	
Cc1nc(-c2cccnc2)nc(NCc2ccccc2O)c1C	749273556	GBACBONIXBGFEM-UHFFFAOYSA-N	306.369	3.473	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC([C@@H]2CCNC2)CC1	843125880	BLHOIQUPNAPKOO-GFCCVEGCSA-N	312.816	3.006	10	20	DGCD	
C[C@@H](NCCCOC[C@@H]1CCOC1)c1ccc(Cl)cc1O	841756414	XSYCRAPKZVDKLH-OLZOCXBDSA-N	313.825	3.139	10	20	DGCD	
COCCOCCCCN[C@@H](C)c1cc2c(cc1O)CCCC2	756518448	WLGQQXTZQXCNLL-HNNXBMFYSA-N	321.461	3.365	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1O	756763277	WRSKDWFKQCFSLS-BLLLJJGKSA-N	320.408	3.116	10	20	DGCD	
COc1cccc(C2(NC(=O)Nc3ccc(N)cc3)CCC2)c1	850749181	CEJNQYXOMWZUIS-UHFFFAOYSA-N	311.385	3.478	10	20	DGCD	
CC(C)CCc1nc(COC(=O)c2cccc(O)c2O)cs1	758545740	BKOOTKLLCIBYPE-UHFFFAOYSA-N	321.398	3.500	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](F)Cc1ccccc1	935948470	MWMBQHXUOQBWRU-AWEZNQCLSA-N	322.376	3.075	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCc2nnc3ccccn23)cc1	764640369	RUAHVOOQSIUCLJ-HNNXBMFYSA-N	323.444	3.079	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC[C@H](CC(C)C)OC)C2)cc1	877598003	FZRBJYIDEDKQPC-APWZRJJASA-N	320.477	3.172	10	20	DGCD	
Cc1cc(O)c([C@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1C	877858318	JBWPASZUAGZRQD-OAHLLOKOSA-N	304.296	3.141	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@H]1C1CCCCC1	779486378	WQDCPFNMKZABGD-LPXAQJHASA-N	301.386	3.196	10	20	DGCD	
CCC1(CNCc2cc(Cl)cc(F)c2O)CCOCC1	776219387	GITDANQUPLMPSH-UHFFFAOYSA-N	301.789	3.481	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)/C=C/c1ccc(O)c(O)c1	779519419	DCLNWKUXFWMKBP-ICGPHACGSA-N	303.402	3.444	10	20	DGCD	
CCCCCCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775836194	KPFGTSIUNKXXSM-HNNXBMFYSA-N	305.466	3.100	10	20	DGCD	
CN(C)c1ccc(CNCCCCC(=O)OC(C)(C)C)cc1F	773428403	PCFJRPXGNONGGQ-UHFFFAOYSA-N	324.440	3.493	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCc1cccc2c1OCC2	897206803	QTONXLOYEOEIQZ-UHFFFAOYSA-N	307.752	3.409	10	20	DGCD	
Cc1ncsc1CNCc1ccc(Br)cc1O	691439858	LGOZASZVFNOCRX-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
C[C@@H]1OCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H]1C	792822270	JNLWGFJDSIMINB-NEPJUHHUSA-N	316.367	3.381	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(SC)ccc2C)c(O)c1	794377980	BOJKQFDXHOIQHC-UHFFFAOYSA-N	317.410	3.361	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H](C)S1=O	792192308	MBUJABVNUTVUQW-RKDXNWHRSA-N	322.257	3.040	10	20	DGCD	
Nc1ccc(CNC(=O)NCC[C@@H]2CCc3ccccc32)cc1	1338610090	NJHINSYZWFHVPJ-INIZCTEOSA-N	309.413	3.188	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ncc(C)s2)c(O)c1OC	1334198964	UUCVSCQXMVDFFV-JTQLQIEISA-N	308.403	3.025	10	20	DGCD	
CCOc1ccc2c(c1)CN(C(=O)Nc1ccc(N)cc1)CC2	1331433802	USYLLPQUSAZSJH-UHFFFAOYSA-N	311.385	3.258	10	20	DGCD	
CC1(C)CC[C@@H](CO)N(Cc2ccc(N3CCCC3)cc2)C1	1333782304	UYXZXJKUEPZFMV-SFHVURJKSA-N	302.462	3.270	10	20	DGCD	
CCCCC[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)O	1609967282	OZWYYINJCQEGDO-QGZVFWFLSA-N	304.434	3.410	10	20	DGCD	
COCCOc1ccc(C(=O)Oc2ccc(N)cc2)c(Cl)c1	1579061146	BQTPBIDQNAKOHE-UHFFFAOYSA-N	321.760	3.167	10	20	DGCD	
Cc1oc2ccccc2c1CC(=O)NCCc1ccc(N)cc1	1579928489	OQLBGMGKGQZOFG-UHFFFAOYSA-N	308.381	3.225	10	20	DGCD	
CC[C@H](CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C(C)(C)C	1577041432	LPVIEINLBMBYLK-NVXWUHKLSA-N	319.493	3.331	10	20	DGCD	
CN(C)c1ccc(/C=C/CN[C@H](C(=O)O)c2ccccc2)cc1	1598314143	CZJLEPFHZUZBRW-DKFQHHCZSA-N	310.397	3.181	10	20	DGCD	
C[C@@H](NCCCCCN1CCCC1)c1cc(C(=O)O)ccc1O	1593263710	BTLOXJKBFPNNKM-CQSZACIVSA-N	320.433	3.007	10	20	DGCD	
COCC[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)c1ccco1	1599219140	WPBWLDHDZBGMPD-RISCZKNCSA-N	319.357	3.112	10	20	DGCD	
CCOC(=O)CC1CCN(Cc2cc(C)cc(C)c2O)CC1	163933015	PPVKJIIAZHXYJZ-UHFFFAOYSA-N	305.418	3.174	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C[C@@H]3CC[C@@H](C)C3)CC2)cc1	164248554	OCVOKZANSQNNET-HZPDHXFCSA-N	316.445	3.170	10	20	DGCD	
COc1ccccc1C[C@@H](C)N(C)Cc1cccc(OC)c1O	156041257	LWHWVBQDHMIGEF-CQSZACIVSA-N	315.413	3.472	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1O	136492104	NEGCEVVPVOKRMB-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
CCCCOCCNCc1cccc(Br)c1O	42412595	RNQALTICDUWOMA-UHFFFAOYSA-N	302.212	3.061	10	20	DGCD	
Cc1ccccc1CC(=O)N1CCOc2cc(N(C)C)ccc21	173185041	ZDQGAEPBRDOJBI-UHFFFAOYSA-N	310.397	3.029	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2cccc3[nH]ccc23)cc1	183227444	ZDWLECNPDVJZNJ-UHFFFAOYSA-N	324.380	3.356	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)[C@H](c2ccccc2)N(C)C)c1	186456424	UQKUQMBIUXFFSH-IFXJQAMLSA-N	314.429	3.182	10	20	DGCD	
CCCO[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2O)CC1	180180241	KGBZQDQAAUDYJB-OAHLLOKOSA-N	323.433	3.191	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1	319788008	MQYJQLLRGOQPQC-NEPJUHHUSA-N	311.385	3.282	10	20	DGCD	
CSCC[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1	76781349	ZQAVYAZKROLNMX-CYBMUJFWSA-N	309.479	3.036	10	20	DGCD	
COc1cc(Cl)cc(CNCC2(N(C)C)CCCC2)c1O	228669955	JLWLDABFRNMCKQ-UHFFFAOYSA-N	312.841	3.018	10	20	DGCD	
COc1cc(C)c(CN(C)Cc2ccccc2O)cc1OC	91974470	CQPPMYWUVDDUOA-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
Cc1c(CNC(=O)CC[C@H]2CCCCO2)n(C)c2ccccc12	348659330	IPBCXWSIKIJBFU-OAHLLOKOSA-N	314.429	3.452	10	20	DGCD	
C[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccc(F)cc2O1	255719010	PQFXSKJCVJFPDK-SROOVFNMSA-N	316.307	3.187	10	20	DGCD	
C[C@@H](CCNCc1ccc(N2CCCCC2)cc1)CC(=O)O	277348447	PGSQEVLZTMTIRY-HNNXBMFYSA-N	304.434	3.267	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H]3CCO[C@@H](C)C3)CC2)cc1	360059571	PQSWRTAUFULZML-HOTGVXAUSA-N	318.461	3.069	10	20	DGCD	
CC(C)Oc1ccc(N(C)C[C@H]2CC3(CCC3)C(=O)O2)cc1	277116872	HLZDAEOCDWRRIH-MRXNPFEDSA-N	303.402	3.396	10	20	DGCD	
COCC[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccco1	273412444	IAMJDBMOPVHNPS-IUODEOHRSA-N	305.374	3.422	10	20	DGCD	
COCC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCC1	284487563	ZJNWFEAJUHRNSX-UHFFFAOYSA-N	316.445	3.060	10	20	DGCD	
Cc1cccc(CNC[C@@]2(C)OCCc3sccc32)c1O	291700831	YYTTYXJGSFLTLG-QGZVFWFLSA-N	303.427	3.340	10	20	DGCD	
CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1ccc(N(C)C)cc1	808023753	XIYRQKNTFRUKFU-NSHDSACASA-N	317.393	3.359	10	20	DGCD	
COc1ccc(CNc2nc3ccc(F)cc3n2C)c(O)c1	814260130	HNHLKSPZCCYAIV-UHFFFAOYSA-N	301.321	3.039	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@H]2CCc3c(F)cccc32)cc1	817938973	WQVJFQPUHLHANZ-OALUTQOASA-N	313.420	3.169	10	20	DGCD	
O=C1CCCN1C1CCN(Cc2ccc3ccccc3c2O)CC1	816503636	GNTDSRHNVOXLFS-UHFFFAOYSA-N	324.424	3.132	10	20	DGCD	
C[C@@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O	724925211	JUODFVNZULHSHF-DGCLKSJQSA-N	324.396	3.191	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)CCC3(C)CC3)C2)cc1	823201717	IQQPZJJJHCPIAG-HNNXBMFYSA-N	316.445	3.218	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CCC[C@H](C3CC3)C2)cc1OC	822539031	DOLXDIRESNRTSJ-DZGCQCFKSA-N	305.418	3.468	10	20	DGCD	
OC[C@@H](C1CC1)[C@H](NCc1ccc2ccccc2c1O)C1CC1	824846328	QRPBZQOCSSJMJN-RBUKOAKNSA-N	311.425	3.432	10	20	DGCD	
CN1CCC[C@@H](CNCc2cc(-c3ccccc3)ccc2O)C1	731041542	FYQLMYCJYFCCND-INIZCTEOSA-N	310.441	3.491	10	20	DGCD	
CCOCc1cc(CNCC[C@@H]2CCCN(C)C2)ccc1OC	839183262	VOPSRTYRDBWUHE-INIZCTEOSA-N	320.477	3.053	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1	739625562	QEPSCEDWNRKQTA-KGXGESDWSA-N	316.357	3.462	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2O)cc1F	746798491	IPXBBYRUKUTQJP-UHFFFAOYSA-N	322.767	3.181	10	20	DGCD	
CCc1cccc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1O	848896148	TUGAKVYBYWYZME-ZDUSSCGKSA-N	324.424	3.324	10	20	DGCD	
COc1cccc([C@@H](C)NCCOc2ccccc2C)c1O	846141629	LAYSKZOXPCEXBP-CQSZACIVSA-N	301.386	3.439	10	20	DGCD	
CCOCCC1(c2nc(Cc3ccc(N)cc3)no2)CCCC1	843159970	TWURKOWQJRKXDE-UHFFFAOYSA-N	315.417	3.481	10	20	DGCD	
CC[C@@H](NC[C@H](C)COC)c1cc(Br)ccc1O	45656568	CRIDQSKPJSTKRC-GXFFZTMASA-N	316.239	3.478	10	20	DGCD	
CCc1ccc([C@@H](O)CN[C@@H](C)c2cccc(OC)c2O)cc1	846170963	NPIKYIJHPVXYCA-GUYCJALGSA-N	315.413	3.347	10	20	DGCD	
Cc1cc([C@H](C)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n(C)n1	840895543	ZSPMJUNRYZYCSF-HOCLYGCPSA-N	314.477	3.385	10	20	DGCD	
CCCN(C)C[C@@H]1CCN(Cc2ccc(N(C)C)cc2C)C1	840918286	ZEMIRBLZVYMQHG-KRWDZBQOSA-N	303.494	3.225	10	20	DGCD	
CCOc1ccc(CN[C@H](C)CN2CCC(C)CC2)c(O)c1	850387550	UNUXTYBGJMMMTO-OAHLLOKOSA-N	306.450	3.001	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)OC/C=C\Cl)cs2)cc1	751930004	FQLCULXWQMCHAK-BHQIHCQQSA-N	308.790	3.225	10	20	DGCD	
COc1ccc(N2CCCN(Cc3ccnc(C)c3)CC2)cc1	856721173	BSPQXQVVXYGAFL-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)c1	754736839	NWLNAILVGIYEDQ-AAEUAGOBSA-N	303.324	3.161	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@@H](O)c2ccsc2)c2c(O)ccc(F)c21	756592054	IHKNTTLZWRIHSS-LJWDBELGSA-N	307.390	3.464	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H]2CCCN2CC(F)F)c(O)c1C	858479542	UUNCDOCMQSHQEC-UONOGXRCSA-N	312.404	3.389	10	20	DGCD	
CCSC1(CNCc2cc(F)c(N(C)C)cc2F)CC1	858192897	QBQAWRNSMUAEFF-UHFFFAOYSA-N	300.418	3.406	10	20	DGCD	
C[C@@H](NCCOC[C@@H]1CCCO1)c1cc2c(cc1O)CCCC2	756585098	XEFSVUYCFQHNFH-PBHICJAKSA-N	319.445	3.117	10	20	DGCD	
COc1nc(C)cc(C)c1CNCc1ccc2c(c1)CCCO2	921668027	WBGGCOWEKULURW-UHFFFAOYSA-N	312.413	3.322	10	20	DGCD	
CCc1noc(CC)c1CNC(=O)N[C@H](C)c1ccccc1O	868385298	OVTMBEUUACKAKD-LLVKDONJSA-N	317.389	3.065	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@H](COC(C)C)C2)cc1C(C)C	769805224	WXIIDJAGSJIDHV-KRWDZBQOSA-N	321.461	3.450	10	20	DGCD	
CCCC[C@H](COC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773305961	LSSGIPWECQPHIX-GDBMZVCRSA-N	321.465	3.318	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)Cc1nccn1C(F)F	775652484	ZZZDGTIDHPHPGE-UHFFFAOYSA-N	319.714	3.408	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2c(O)cccc2F)C1	886536706	NNEQOQHOPMIXCE-NJKWTTEGSA-N	313.438	3.262	10	20	DGCD	
C[C@H](N[C@@H](CCO)c1ccccc1F)c1c(O)cccc1F	886630309	ZNLQOIUMQPZPQV-NHYWBVRUSA-N	307.340	3.445	10	20	DGCD	
CC(C)(C)[C@H]1CCN1C(=O)NCCCSc1nccs1	1123517325	LNDZNJCFKFKNKT-LLVKDONJSA-N	313.492	3.455	10	20	DGCD	
COc1cc(C)cc(CNCc2ccc([C@H](C)O)cc2)c1O	894202812	MFDKLFZGCZYGFH-ZDUSSCGKSA-N	301.386	3.052	10	20	DGCD	
COc1ccc(CN[C@H](C)Cc2ccccc2F)c(O)c1OC	892659741	VNILFPSKBIHJTP-GFCCVEGCSA-N	319.376	3.269	10	20	DGCD	
CC[C@@](C)(CO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796284537	LLHKAFOPFBDIFR-NRFANRHFSA-N	324.468	3.500	10	20	DGCD	
COc1ccc(CNC(=O)NCC2CCC(C)(C)CC2)c(O)c1	793022455	UXDJVDKQMYLIPQ-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
CCOC(=O)C[C@H]1CCCN1Cc1c(O)ccc(Cl)c1F	1321863031	HKEKNXYNVNDGAP-SNVBAGLBSA-N	315.772	3.102	10	20	DGCD	
CN[C@@H](C)CCN[C@H](C)c1cc(Br)cc(C)c1O	1326035746	MEMAXTPTTKJAEH-WDEREUQCSA-N	315.255	3.112	10	20	DGCD	
CC(=O)c1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1	1323416987	GLKSBQUYDDMRGZ-UHFFFAOYSA-N	315.716	3.331	10	20	DGCD	
C[C@@](O)(CNCc1ccc(N2CCCC2)cc1)c1ccccc1	1253115121	GIKHADYCYUSZPV-HXUWFJFHSA-N	310.441	3.284	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)nn1)c1ccccc1O	1331790695	HYTLNPMPCSGSQV-LLVKDONJSA-N	314.389	3.362	10	20	DGCD	
CC[C@@H](NC[C@H](C)CNC)c1cc(Br)ccc1O	1348853221	SLEDVYVNJFFRNM-ZWNOBZJWSA-N	315.255	3.051	10	20	DGCD	
CC[C@@H]1CCN(c2nnc(-c3sccc3O)n2CC2CC2)C1	1345816086	GQQLXJJEQQNSEL-LLVKDONJSA-N	318.446	3.359	10	20	DGCD	
C[C@](CO)(Cc1ccc(Cl)cc1)NCc1ccc(N)cc1	1576036528	KFKDWBJMUGGDER-QGZVFWFLSA-N	304.821	3.006	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[C@H](N)CC2)cc1	1579674198	OGAJLNNIGCYVEV-QAQDUYKDSA-N	311.429	3.094	10	20	DGCD	
CC1(C)CC[C@](NCc2ccc3c(c2)CCCO3)(C(=O)O)C1	1776547018	NDRREOYEGJUOLI-GOSISDBHSA-N	303.402	3.135	10	20	DGCD	
CC(C)Oc1ccc(NC(=S)NCc2cccn2C)cc1	202991758	QPZXGUNPKWYLMQ-UHFFFAOYSA-N	303.431	3.299	10	20	DGCD	
CC[C@H](NCCCOCC1CCOCC1)c1ccccc1O	155960981	AMSDEUQNKPFTQV-KRWDZBQOSA-N	307.434	3.266	10	20	DGCD	
C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1cccc(F)c1	156735957	KELUDIUVOYWKQJ-LBPRGKRZSA-N	317.360	3.089	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc(SC)ccc2C)c1	114543132	RFSRIVQVVKIFOX-UHFFFAOYSA-N	317.410	3.361	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCc3sccc3C2)cc1	10262712	SQZKGXXMGOIMMB-UHFFFAOYSA-N	315.442	3.082	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cn(C)nc1-c1ccccc1	179770670	NZGIFIGKJCXWOR-UHFFFAOYSA-N	307.397	3.425	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(N)nc(Cl)c1	170894471	ZSBFZTFMRCMCAN-UHFFFAOYSA-N	319.792	3.075	10	20	DGCD	
Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1C	173194459	YFRMKRFRVLTMAC-UHFFFAOYSA-N	310.397	3.409	10	20	DGCD	
C[C@](O)(CNCc1cc(Cl)cc(Cl)c1O)c1ccco1	174532393	KRPCTVAKKFCLOQ-AWEZNQCLSA-N	316.184	3.289	10	20	DGCD	
CCS[C@@H]1CCCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	180773889	CGRREVOVBLBQOI-RCQQVGEISA-N	321.442	3.245	10	20	DGCD	
COc1cc(Cl)cc(CN(C)Cc2ccccc2O)c1O	184681854	COAYXCLBISJBKI-UHFFFAOYSA-N	307.777	3.392	10	20	DGCD	
CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1	181039581	YBKXHYCSVSMGEL-ONNFQVAWSA-N	315.344	3.302	10	20	DGCD	
Oc1c(Br)cccc1CNC[C@H]1CCCS1	87473299	CPHRVFNVOHGGJI-SNVBAGLBSA-N	302.237	3.140	10	20	DGCD	
CC[C@@H](NC[C@H](C)OC)c1cc(Br)ccc1O	191206490	HKPPQDLQBBOIMT-JOYOIKCWSA-N	302.212	3.230	10	20	DGCD	
CN(Cc1nccn1-c1ccccc1)c1ccc2c(c1)OCO2	191469251	JDTXCPDNJXCBFU-UHFFFAOYSA-N	307.353	3.237	10	20	DGCD	
CCOc1cccc(CN(C)C2(C(=O)OC)CCCCC2)c1O	93359746	JVQKQFRTNJQQAT-UHFFFAOYSA-N	321.417	3.099	10	20	DGCD	
CC(C)c1cccc(N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)c1	275496282	LOVZOGRFTLXQOD-UHFFFAOYSA-N	323.400	3.210	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@]2(C)CCO[C@H]2C2CC2)c1O	273049015	JZDIGYHKSYAKJN-IRXDYDNUSA-N	323.820	3.295	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccnc(F)c1F	276488048	UDTBBQANGXTFAE-UHFFFAOYSA-N	306.312	3.118	10	20	DGCD	
CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F	278257741	XVQCDJPBLMWPNZ-OSAWCJBNSA-N	317.307	3.204	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H]1CCC[C@H]1O	288410724	LQKDYLMUPJONAN-UKRRQHHQSA-N	318.442	3.141	10	20	DGCD	
CCCN(Cc1cnc([C@@H](C)O)s1)Cc1ccccc1O	289368179	OTVSZNRGYIQJPH-GFCCVEGCSA-N	306.431	3.314	10	20	DGCD	
C[C@@H](NCCCNC(=O)/C=C\c1ccccc1)c1ccccc1O	800503880	ALHLIFQXVHHERF-BFFYNSAMSA-N	324.424	3.263	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CCc2ccccn2)C2CC2)cc1	299314973	BWADYGIXOSNZPE-UHFFFAOYSA-N	323.440	3.271	10	20	DGCD	
Cc1sccc1CNCc1ccc(N2CCOCC2)cc1	293477044	FLCTYLFBGBZLDE-UHFFFAOYSA-N	302.443	3.183	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C1CC(OCC)C1	807486012	JYPAGISIZJNJOV-UHFFFAOYSA-N	305.418	3.336	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC3CCC2CC3)cc1F	814312527	JHBLSUXNPQFMNQ-ZALBZXLWSA-N	304.409	3.334	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NOCCOC(C)C	812804794	SLVHFYZRMOLWCK-UHFFFAOYSA-N	322.430	3.242	10	20	DGCD	
COC(=O)CC1(NCc2ccc(N(C)C)c(C)c2)CCCCC1	815073550	PTEJIOYILZQBHW-UHFFFAOYSA-N	318.461	3.417	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1nccc(C(F)F)n1	816611978	CUIVAPQJLNEQBV-UHFFFAOYSA-N	317.698	3.202	10	20	DGCD	
CC[C@](C)(CC(=O)OC)NCc1cc(Cl)c(F)cc1O	816568638	MEEUGIJRLVQDPI-CQSZACIVSA-N	303.761	3.006	10	20	DGCD	
C[C@H]1CCCN([C@@H](C)CNCc2cc(Cl)c(F)cc2O)C1	816535588	UERVCOSLMZZDCS-RYUDHWBXSA-N	314.832	3.395	10	20	DGCD	
CCCN(CC)C[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	810262544	SDVBBDYUYGXFQD-OLZOCXBDSA-N	309.410	3.071	10	20	DGCD	
CCC/C=C\C(=O)NC1CCN(c2ccc(OC)cc2)CC1	729359933	MPDIGDGZFLQKGE-WAYWQWQTSA-N	302.418	3.137	10	20	DGCD	
O=C(CCCc1cccnc1)NCc1ccc(N2CCCC2)cc1	821841734	FEJUVSXNDJNOSE-UHFFFAOYSA-N	323.440	3.321	10	20	DGCD	
OC[C@@H](C1CC1)[C@@H](NCc1cc(Cl)cc(F)c1O)C1CC1	824845144	IFLVDCFZXAGYFA-ZFWWWQNUSA-N	313.800	3.071	10	20	DGCD	
O=C(NCCCc1c[nH]c2ccccc12)NCc1ccccc1O	730908582	VKEHXVAGCNPEMA-UHFFFAOYSA-N	323.396	3.306	10	20	DGCD	
CO[C@@](C)(C1CC1)[C@@H](C)NCc1cc(F)cc(C(C)=O)c1O	839641619	WRYLGORCBXYRMB-PIGZYNQJSA-N	309.381	3.027	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCO[C@@H](c3ccnn3C)C2)c1	834898149	JKOUUZXRRGCFBT-SUNYJGFJSA-N	315.417	3.005	10	20	DGCD	
CC[C@H](NC[C@H]1CCOC[C@H]1OC)c1cc(Cl)ccc1O	834880521	IZQFNRMSBGQLOM-DIOULYMOSA-N	313.825	3.138	10	20	DGCD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(O)cc2O)o1	910952246	UHLVCKFLFUGNMT-XHDPSFHLSA-N	315.369	3.063	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](C)CCO	833223203	PSPYTBREWOEGJU-GFCCVEGCSA-N	320.458	3.294	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C	839621347	IWLDWEHLIMJKGV-OWCLPIDISA-N	318.461	3.392	10	20	DGCD	
CCc1cccc(CN2CCC[C@@H](N3CCCC3)CC2)c1O	848888478	UZHGLJIUXCWNON-GOSISDBHSA-N	302.462	3.405	10	20	DGCD	
COc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)C2	848925792	KUHBILQDWMPBPS-UHFFFAOYSA-N	324.424	3.048	10	20	DGCD	
CSCC1(CC(=O)NCCCSc2nccs2)CC1	845504290	BSXXELASJKUTJM-UHFFFAOYSA-N	316.517	3.275	10	20	DGCD	
CC[C@@H](C)C[C@@H](CO)NC1CCN(c2ccc(OC)cc2)CC1	842756573	NYKWBPZPXGLLKE-WBVHZDCISA-N	320.477	3.051	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1	842720267	DWOATKJVLPAHOY-KRWDZBQOSA-N	317.477	3.022	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)c2cn[nH]c2)c1C	747999881	SXNQCFWIUXNXDR-UHFFFAOYSA-N	308.385	3.402	10	20	DGCD	
CC(C)C[C@H](CNC/C=C\c1ccc(N(C)C)cc1)CC(=O)O	854244846	VSEUNEGUGCIGNE-OSJSJHBBSA-N	318.461	3.492	10	20	DGCD	
CCC[C@H](OCC)C(=O)NCc1ccc(N2CCCCC2)cc1	858835793	KQLLMEOMJJFMFL-SFHVURJKSA-N	318.461	3.498	10	20	DGCD	
COC[C@H](NCc1cc(OC)cc(C(C)(C)C)c1O)C(C)C	850158883	SZWUURWQSOERNO-INIZCTEOSA-N	309.450	3.459	10	20	DGCD	
C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O	756687465	UTLAHFZRYYFXSR-JTQLQIEISA-N	317.301	3.059	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)CN[C@@H](C)c1ccccc1O	697891562	ZAIHLIVYAPNTIU-STQMWFEESA-N	308.422	3.204	10	20	DGCD	
COc1ccc(NCc2cc(OC)c(OC)cc2O)c(F)c1	864042902	ZNPWGMAOCOPZMO-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
CCCc1csc(NC(=O)NCc2cc(C)ccc2O)n1	860884616	SQXXFCNBAHUJTR-UHFFFAOYSA-N	305.403	3.431	10	20	DGCD	
COc1ccc([C@@H]2CCN(Cc3c(O)cccc3OC)C2)cc1	769246270	ZBNAAKMOZWNBQD-OAHLLOKOSA-N	313.397	3.399	10	20	DGCD	
Cc1cccc2c1N[C@H](c1cc(Cl)cc(F)c1O)NC2=O	768266298	OZSJMLZIFATTLP-AWEZNQCLSA-N	306.724	3.347	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1Cc2ccccc2C1	762100717	SJBHEEKITMIUIW-UHFFFAOYSA-N	321.420	3.302	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)CCCO)cc1	1117810375	CWFXTZGJUZWUGO-CQSZACIVSA-N	314.429	3.233	10	20	DGCD	
COc1cc(CN2CCN(C3CCCCC3)CC2)c(O)cc1C	768463365	SCPPKCTXRLOJNR-UHFFFAOYSA-N	318.461	3.160	10	20	DGCD	
COc1ccc(CNCCn2ccc(C(F)(F)F)n2)cc1C	873157531	AWFHGPHCUPGJKV-UHFFFAOYSA-N	313.323	3.009	10	20	DGCD	
Cc1cccc(O)c1CN(C)C[C@@H](C)NC(=O)OC(C)(C)C	877660043	HKUKVAVNHKXEOO-CYBMUJFWSA-N	308.422	3.046	10	20	DGCD	
CO[C@H]1CCC[C@H]1CNCc1cc(Br)ccc1O	774833914	WNAKWHATCWDBOS-HZMBPMFUSA-N	314.223	3.059	10	20	DGCD	
COc1cc(O)c(CNc2ccc(N(C)C)c(F)c2)cc1OC	877773297	LJURMDPMJXOYAC-UHFFFAOYSA-N	320.364	3.227	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2ccncc2)cc1	779645341	GCQNUMUDHXADBH-UHFFFAOYSA-N	311.429	3.129	10	20	DGCD	
CC[C@@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)cc1	775638590	LQZAGPVOCIVGMN-GOSISDBHSA-N	301.478	3.203	10	20	DGCD	
C/C=C\C[C@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C	771620714	NBSLHLYYWYKLTE-ZRUQZJFASA-N	318.442	3.213	10	20	DGCD	
C[C@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1	779510761	QSWUVWLZBCFVBR-QSYFUGGGSA-N	311.381	3.421	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@@H]1CCN(Cc2ccccc2)C1	192922985	XOGVJDVRIZOQAW-INIZCTEOSA-N	314.404	3.143	10	20	DGCD	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1cccc(O)c1O	790538229	FMFXVARYWHSPGE-GFCCVEGCSA-N	315.369	3.376	10	20	DGCD	
Oc1cccc(Cl)c1CNCCc1ccc2c[nH]nc2c1	790617666	BPRSKRAZDPIENP-UHFFFAOYSA-N	301.777	3.254	10	20	DGCD	
CC[C@H](NC[C@H](C(C)C)N1CCOCC1)c1ccc(C)cc1O	794795403	SYZUJUUJCJJKDM-ZWKOTPCHSA-N	320.477	3.098	10	20	DGCD	
CN1CCCc2cc(CNC(=O)[C@H]3Cc4ccc(F)cc43)ccc21	793283001	DUCKDHOQBXBCEA-SFHVURJKSA-N	324.399	3.164	10	20	DGCD	
C[C@@](Cc1ccccc1)(NC(=O)NCc1ccc(N)cc1)C1CC1	1337019776	UQSYIUADIMNLHR-FQEVSTJZSA-N	323.440	3.479	10	20	DGCD	
CO[C@@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)C12CCC2	1261295592	DJAXYTFLLMPUAC-QZTJIDSGSA-N	300.446	3.334	10	20	DGCD	
O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2cccc(F)c2O)cc1	1608814613	OOFYVXQNGKCMPV-UONOGXRCSA-N	301.317	3.332	10	20	DGCD	
CCOc1ccc(N(CC)Cc2cccc(C(=O)O)n2)cc1	1597105655	ISNQIELJWBSAHU-UHFFFAOYSA-N	300.358	3.205	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2ccc(C)s2)cc1OC	160124390	YZOFZIFSWQBAQQ-UHFFFAOYSA-N	307.415	3.411	10	20	DGCD	
CC(C)Cc1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1	109560283	KGCNNNRLEZSKOK-VMPITWQZSA-N	313.401	3.275	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2CCN(C)c3cc(F)ccc32)s1	174453370	FGOMRDNJLNLOKX-GQCTYLIASA-N	317.389	3.087	10	20	DGCD	
CCc1nc(NCCc2ccc(O)c(O)c2)c2ccsc2n1	301857141	ZNOUCLWIHNQHPN-UHFFFAOYSA-N	315.398	3.320	10	20	DGCD	
C[C@H](N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1O	302992391	FGSXZEIUWKYGCG-YOEHRIQHSA-N	314.404	3.456	10	20	DGCD	
C[C@@H](CNC(=O)N(C)Cc1ccccc1O)Oc1ccccc1	73221693	QIDANALPHMDNBE-AWEZNQCLSA-N	314.385	3.001	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2CCCO[C@H]2CC(C)C)c1	185195599	OBKFSBMZKIHWLM-AEFFLSMTSA-N	307.434	3.474	10	20	DGCD	
C[C@H](NC[C@@H]1CCC[C@H](O)C1)c1cc2c(cc1O)CCCC2	185538822	XWFKHFQTLDZSAN-VBQJREDUSA-N	303.446	3.473	10	20	DGCD	
CCC(O)(CC)CN[C@@H](C)c1ccc(Br)cc1O	185231486	SYSWTHSFSYJDSR-JTQLQIEISA-N	316.239	3.356	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(C)ccc2O)C1	92731426	BEQKUQAFSSETGC-JKSUJKDBSA-N	318.461	3.217	10	20	DGCD	
COc1ccc(O)c(CN2CCC(Cc3cccnc3)CC2)c1	360640042	WKHMLBHWBSJTKS-UHFFFAOYSA-N	312.413	3.251	10	20	DGCD	
O=C1CCN(Cc2cc(F)ccc2O)c2ccc(F)cc2N1	378126528	IVBUJFKPEVZWOD-UHFFFAOYSA-N	304.296	3.019	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H]2CCCSC2)c1O	288432695	LDBKUIXXOVYOCZ-VIFPVBQESA-N	316.810	3.187	10	20	DGCD	
CCOc1cccc(CNc2cccc(N3CCC3=O)c2)c1O	280226321	XHFVPEJWGGUQHJ-UHFFFAOYSA-N	312.369	3.140	10	20	DGCD	
CN(C)c1cccnc1CNCc1ccc(N2CCCCC2)cc1	289933440	WHNYCFNKWIDUID-UHFFFAOYSA-N	324.472	3.428	10	20	DGCD	
COC(=O)Nc1ccc(NCc2c(O)cccc2OC)cc1F	802647316	BQBFJBODGNEUQP-UHFFFAOYSA-N	320.320	3.330	10	20	DGCD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N)cc1	297118234	GHXVNHWTFRMYLJ-COXVUDFISA-N	304.434	3.259	10	20	DGCD	
CCN(CC)C[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1	815054715	KXBDHFSLDUXVSK-GOSISDBHSA-N	303.494	3.225	10	20	DGCD	
Cc1cc(CN2CCC[C@](CO)(C(C)C)C2)ccc1N(C)C	815232738	OBQHSWNOABWORZ-IBGZPJMESA-N	304.478	3.292	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1Cl	825191109	WAUDPNASUVRECJ-STQMWFEESA-N	324.852	3.233	10	20	DGCD	
CCOc1ccc(N(C)Cc2nc(-c3cc(C)ccn3)no2)cc1	827873527	WWDIHIWTNDZZLG-UHFFFAOYSA-N	324.384	3.475	10	20	DGCD	
CC(C)CCO[C@@H](C)C(=O)NCCCSc1nccs1	733884267	ORUOQXIZZNRHLF-LBPRGKRZSA-N	316.492	3.193	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CC[C@H](N2CCCCC2)C1	730807119	NJLQLOSPNIQXIK-INIZCTEOSA-N	311.429	3.001	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1	739922387	JVPDAMGUVLCIAC-IIDMSEBBSA-N	318.461	3.462	10	20	DGCD	
CCO[C@H](CC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731016840	QDMKBOOQKJBEJK-GOSISDBHSA-N	318.461	3.354	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1	839637107	VFVNIJGLKBZPPH-WOJBJXKFSA-N	310.441	3.451	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1	839637106	VFVNIJGLKBZPPH-VQTJNVASSA-N	310.441	3.451	10	20	DGCD	
COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1ccccc1O	748460295	NPDLAPMACQYUNF-LLVKDONJSA-N	318.348	3.100	10	20	DGCD	
COc1ccc(N(CC(C)C)C[C@H](O)COCC(C)C)cc1	747683172	SHPXDEBBYXYDNH-KRWDZBQOSA-N	309.450	3.191	10	20	DGCD	
C[C@@H](N[C@H](CO)CC1CCCCC1)c1cc([N+](=O)[O-])ccc1O	841759917	BBPDRZFGIWEPEF-OCCSQVGLSA-N	322.405	3.282	10	20	DGCD	
COc1cccc([C@@H](C)NCCOc2ccc(F)cc2)c1O	846144616	MQKNBTBDCJWQCS-GFCCVEGCSA-N	305.349	3.270	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cnn(C2CCCC2)c1	915524477	FJLCKLBLKJKJAX-UHFFFAOYSA-N	300.362	3.026	10	20	DGCD	
CCCCN1CCC(N[C@@H](C)c2cccc(OC)c2O)CC1	846142011	QMKQEIGVILKLEX-AWEZNQCLSA-N	306.450	3.316	10	20	DGCD	
CC[C@H](NCC[C@]1(O)CCCOC1)c1cc(Cl)ccc1O	846214829	WYNYDTRWWGVPDX-GOEBONIOSA-N	313.825	3.018	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccoc1	850566398	NEAOOJWCPKNDDC-CQSZACIVSA-N	300.402	3.092	10	20	DGCD	
CC(C)C[C@H](CNC/C=C/c1ccc(N(C)C)cc1)CC(=O)O	854244847	VSEUNEGUGCIGNE-RTRPANQVSA-N	318.461	3.492	10	20	DGCD	
COc1ccccc1OCCN[C@H](C)c1ccc(F)cc1O	756369178	AYWWGJRPAGCWOT-GFCCVEGCSA-N	305.349	3.270	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C(=O)O)[C@@H](C)C2)cc1F	863739239	JMFIKRRARSGYCG-ZFWWWQNUSA-N	322.424	3.215	10	20	DGCD	
C[C@H](NCCN1C[C@H](C)C[C@@H](C)C1)c1ccc(N(C)C)cc1	764949800	NCRPNDZVCFRONX-ZACQAIPSSA-N	303.494	3.381	10	20	DGCD	
CC(C)(O)C1CCN(Cc2cc(Cl)c(F)cc2O)CC1	877752174	NVDVWGRRWQXUCY-UHFFFAOYSA-N	301.789	3.168	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H]1C[C@@H]2CC[C@H](C1)N2	1119032635	YNSBEFSADJTBIL-LJIZCISZSA-N	300.446	3.369	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(O)c2)cc1	779497987	FOEYAMCLMKSTRA-UHFFFAOYSA-N	312.413	3.477	10	20	DGCD	
Cc1cc(O)c([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1C	877856593	FNUODKOPPJBZCK-OAHLLOKOSA-N	304.434	3.264	10	20	DGCD	
CCn1nc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C	773007407	IOCJFKXOMLHJLO-LBPRGKRZSA-N	314.433	3.077	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC[C@H]4CCC[C@H]43)cc2)CC1	876638032	ABQQTDCBXWONEF-YLJYHZDGSA-N	314.473	3.412	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCCCc2cccs2)c1O	775031072	ACWFDWLSPBQBDG-UHFFFAOYSA-N	322.386	3.093	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@H](C(N)=O)C1	779204457	SNUXNQGTOZJVAE-KDOFPFPSSA-N	324.424	3.145	10	20	DGCD	
C[C@@]1(c2cccc(N[C@H]3CCc4cccc(O)c43)c2)COC(=O)N1	883329666	PHAKZUOGDPBBTG-KXBFYZLASA-N	324.380	3.447	10	20	DGCD	
CCCOc1ccc(CNC(=O)c2cccc(O)c2O)c(C)c1	789854626	DZGADVIWNDEGBX-UHFFFAOYSA-N	315.369	3.125	10	20	DGCD	
Clc1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nn1	883999101	CWYBQWGARDBEGW-UHFFFAOYSA-N	311.776	3.300	10	20	DGCD	
CCc1nc(C(C)C)ccc1C(=O)NCc1cccc(O)c1O	1123979046	ZWAXTQVDYCLTCO-UHFFFAOYSA-N	314.385	3.109	10	20	DGCD	
COC[C@@H](NCCCSc1nccs1)C1CCCC1	783245524	NZKHYDGZGKALDM-CYBMUJFWSA-N	300.493	3.420	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCc2cccc3cc[nH]c23)cc1	786176206	YBQDXEBAOPCKNH-UHFFFAOYSA-N	322.412	3.233	10	20	DGCD	
COc1cccc(CNC(C)(C)[C@H](O)c2ccccc2)c1O	895659153	UBRYSRHFDOKVJI-QGZVFWFLSA-N	301.386	3.003	10	20	DGCD	
c1cc2c(cc1CNCc1cnn(CC3CCC3)c1)CCCO2	897428647	OCINRTWWIZOGIF-UHFFFAOYSA-N	311.429	3.298	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(O)c1O	780888608	LTSZZEMSLZUVGS-LNSITVRQSA-N	303.402	3.447	10	20	DGCD	
CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCc2ccccc2O)C1(C)C	397858619	XMMUJHJGPAJLGS-LSDHHAIUSA-N	320.433	3.174	10	20	DGCD	
CN(Cc1cc(F)cc(F)c1)C(=O)/C=C\c1ccc(O)c(O)c1	1320917352	ICIFKHSMCBCOAK-HYXAFXHYSA-N	319.307	3.048	10	20	DGCD	
CCC[C@H](C)c1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)n[nH]1	1329333501	DMDNFJKGJYCFGK-JYKYSHPRSA-N	315.373	3.376	10	20	DGCD	
CCCCN(C)C[C@H](C)NCc1ccc(N2CCCC2)cc1	1324114469	FHFIRGNMWOPTIO-KRWDZBQOSA-N	303.494	3.497	10	20	DGCD	
CC[C@@H]1C[C@@H](CC(=O)Nc2c(Cl)ccc3nonc23)CCO1	1346941740	YAWVNLYWUKKEQD-VHSXEESVSA-N	323.780	3.410	10	20	DGCD	
COc1cc(CNC(C)(C)CCC(=O)O)c(O)c(C(C)(C)C)c1	1607164206	RQBYRAXCDCUONT-UHFFFAOYSA-N	323.433	3.431	10	20	DGCD	
C[C@@](CNCc1cccc(Cl)c1O)(C(=O)O)c1ccccc1	1589066992	VJKADQMKLORZNQ-KRWDZBQOSA-N	319.788	3.178	10	20	DGCD	
Clc1ccc(CSc2nccs2)c(-c2nn[nH]n2)c1	1592531331	FETHPGVVISOHGX-UHFFFAOYSA-N	309.807	3.269	10	20	DGCD	
C[C@H](NCCSCCCO)c1ccc(N2CCCCC2)cc1	151177093	WILNWGMDCQFJHG-INIZCTEOSA-N	322.518	3.443	10	20	DGCD	
Cc1n[nH]c(C)c1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	103271260	XIYOVBLLXZFTHS-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1	184912500	PGFJTRQWEVZCGE-OWCLPIDISA-N	320.477	3.239	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CCCO[C@@H]2CC(C)C)cc1OC	187679503	XEKDZUYPUSPJIM-GDBMZVCRSA-N	323.433	3.093	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)[C@@H]1CCCO1	128802288	IFJYJRMRMWMMNW-RDJZCZTQSA-N	320.433	3.271	10	20	DGCD	
Oc1cccc(Cl)c1CNc1ccn(CC(F)(F)F)n1	120667744	FYCYCTBCFWUDHS-UHFFFAOYSA-N	305.687	3.417	10	20	DGCD	
C[C@@H]1c2ccccc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1	181051189	RMEUDRBCPKCYCK-BUUCAEBMSA-N	309.365	3.257	10	20	DGCD	
CC(C)c1csc(CNC(=O)N(C)Cc2ccccc2O)n1	121903822	SRSHJYUWKBUASY-UHFFFAOYSA-N	319.430	3.314	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NC1CCC(C(=O)O)CC1	316409340	YXXSJHTVZWECIR-ABXWRUBCSA-N	303.402	3.482	10	20	DGCD	
CC(C)C[C@@H](CO)N[C@@H](C)c1cc(Br)ccc1O	185113916	GGWDKUDIBCJICU-JQWIXIFHSA-N	316.239	3.212	10	20	DGCD	
Oc1ccc(Br)cc1CNCCc1ccccc1	76275383	JVIACIYVOBYUTQ-UHFFFAOYSA-N	306.203	3.487	10	20	DGCD	
CCOc1ccc(NCc2cccc(OCC)c2O)cc1CO	132258580	FXYAVLMWVSXJLA-UHFFFAOYSA-N	317.385	3.294	10	20	DGCD	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1ccc(N)cc1	237598045	FEJGVXFSWADLGA-NSHDSACASA-N	304.340	3.309	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)Cc2ccccc2OC)c1	237205519	FLUOABFRTWFFFQ-ZDUSSCGKSA-N	301.386	3.130	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1	237946556	CSVZTGLUKFOHLP-CABCVRRESA-N	316.351	3.009	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[C@@H]1O	91898799	QUKHJZAQZAGYRO-HKUYNNGSSA-N	302.462	3.270	10	20	DGCD	
CCCN(C(=O)Cc1ccc(N)cc1)[C@@H]1C[C@@H](OCC)C1(C)C	236740385	DFRKJOPWXFIGKJ-IAGOWNOFSA-N	318.461	3.254	10	20	DGCD	
C[C@H](NCCCN(C)C(=O)OC(C)(C)C)c1ccccc1O	183491136	JFZPBACBMRFGBD-ZDUSSCGKSA-N	308.422	3.300	10	20	DGCD	
CCOc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ncn1	355457121	MUCHXEOXRHYXAQ-UHFFFAOYSA-N	321.384	3.045	10	20	DGCD	
C[C@H](CC[S@@](C)=O)NCc1cc(-c2ccccc2)ccc1O	268408185	GMIGBLMRJGAGBC-JLCFBVMHSA-N	317.454	3.306	10	20	DGCD	
C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccccc2O)C1	272659796	RFZCSXFBFXGTMC-UONOGXRCSA-N	320.433	3.127	10	20	DGCD	
CC(C)(C)CNC(=O)NCc1cccc(Br)c1O	277421408	LEPKPRUOCFQFQE-UHFFFAOYSA-N	315.211	3.000	10	20	DGCD	
COc1cc(Cl)cc(CNCC[C@H]2CCO[C@H](C)C2)c1O	273723019	ISHUPWOPHZTTGZ-NEPJUHHUSA-N	313.825	3.349	10	20	DGCD	
COC(=O)[C@@H](NCc1cc(-c2ccccc2)ccc1O)C1CC1	276492604	QKBGSALQCBUMIY-SFHVURJKSA-N	311.381	3.100	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](c1ccccc1)c1nc[nH]n1	808696683	RSUWWPXRIZDQSV-GOSISDBHSA-N	321.428	3.058	10	20	DGCD	
Cc1c(CNC(=O)c2ocnc2C2CC2)n(C)c2ccccc12	564681633	ASHSLHOBLKOIEL-UHFFFAOYSA-N	309.369	3.282	10	20	DGCD	
COc1ccc(CNCc2ccc(OC)c(OC)c2C)c(O)c1	809658043	BGQQJOSIYPOOFF-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccc(N(C)C)cc1	807918132	JCRGKIROWCGFHP-UHFFFAOYSA-N	313.357	3.476	10	20	DGCD	
C[C@@H](N[C@H]1CCCNCC1)c1cc(Cl)c(Cl)cc1O	817968263	IUMXROXXCSAALO-ZJUUUORDSA-N	303.233	3.492	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)c3ccco3)C2)cc1	818344638	PMWYQEMDVSGDOX-GJZGRUSLSA-N	300.402	3.465	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@]3(CCN(C)C3)C2)cc1	814178504	SKQKYFKBJFETDF-LJQANCHMSA-N	301.478	3.060	10	20	DGCD	
C[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H]1C	817944433	BWGQGGMSHLCXJE-TXEJJXNPSA-N	315.442	3.044	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C/c2scnc2C)cn1	823430428	MSQKJMUWALQQLU-VOTSOKGWSA-N	318.446	3.370	10	20	DGCD	
CC(=O)c1cc(F)cc(CNC2(CC(=O)O)CCCCC2)c1O	825946769	PENAIYXPENMMQJ-UHFFFAOYSA-N	323.364	3.001	10	20	DGCD	
Cc1cn2ccc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc2n1	822084064	ZXVKZCJSMNCRKQ-CQSZACIVSA-N	322.412	3.200	10	20	DGCD	
CS[C@H]1CCN(Cc2cccc(Br)c2O)C1	824683862	XUAVEUUHOUGPPQ-JTQLQIEISA-N	302.237	3.092	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccc(Cl)cc1	588403380	IKNFTBSCXKLESD-YWEYNIOJSA-N	317.772	3.123	10	20	DGCD	
O=C(O)CC[C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1F	903698418	TVGBDQMFWRBNLL-JTQLQIEISA-N	315.772	3.404	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cnc(-c3ccccc3)[nH]2)cc1	736067099	DQLRIDMPVBSSQG-UHFFFAOYSA-N	320.396	3.073	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CCSCC1	839918549	MSAVMQHKLUCENU-CQSZACIVSA-N	320.502	3.251	10	20	DGCD	
CC(C)C[C@@H]1C[C@H]1NCc1ccc(N2CCOCC2)c(F)c1	839162336	AEPRONAIKASHMH-NVXWUHKLSA-N	306.425	3.187	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cnn(CC3CCC3)c2)c1O	903240077	OBVDZEHZSHNWLV-CYBMUJFWSA-N	315.417	3.248	10	20	DGCD	
CCCc1csc(NC(=O)/C=C\c2ccc(O)c(O)c2)n1	588407921	ZKGJFOPDIRFAPE-ALCCZGGFSA-N	304.371	3.159	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CNCc1c(O)cccc1Cl	733327170	OAHLXHCFHDJEAA-UHFFFAOYSA-N	322.748	3.252	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)C1CCCC1	836643639	GTLONSSFTCPWPY-OAHLLOKOSA-N	306.406	3.169	10	20	DGCD	
CC[C@H](Cc1ccccc1)C(=O)NCc1cccc(OC)c1O	732829581	AXZOPRBEHQMDIO-OAHLLOKOSA-N	313.397	3.286	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)c2cc(C)c(C(=O)O)o2)c1	833733969	XDRUYMJIRQMTRK-GHMZBOCLSA-N	319.357	3.412	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)Nc2ccc(N)cc2)C1	841302083	LCUSNDOIHXRPQF-HUUCEWRRSA-N	318.465	3.148	10	20	DGCD	
COc1cccc(CN(C2CC2)[C@@H](C)C(=O)OC(C)(C)C)c1O	840957009	GUCWQLJQJQWDIN-LBPRGKRZSA-N	321.417	3.095	10	20	DGCD	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)o1	846803803	SMSDMHPUVUQPPU-UHFFFAOYSA-N	316.401	3.405	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1(C)CC=CC1	847385610	CXWHIHIQCWBBRS-HNNXBMFYSA-N	315.461	3.400	10	20	DGCD	
O=C(O[C@@H](C(=O)O)c1cccc(Cl)c1)c1cc(O)cs1	740293053	TUWAJPFPSNOIJY-LLVKDONJSA-N	312.730	3.090	10	20	DGCD	
CCN(CCCOCC(F)(F)F)c1ccc(OC)c(OC)c1	740875836	HCNREEPOMGVVHM-UHFFFAOYSA-N	321.339	3.499	10	20	DGCD	
Fc1cc(CN[C@@H]2CCC23CCC3)cc(F)c1N1CCOCC1	840758632	PWHLCZVIZHSMBC-MRXNPFEDSA-N	322.399	3.224	10	20	DGCD	
CC[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)O	840996548	ZPGOVYPTCGOYOL-GOSISDBHSA-N	324.424	3.202	10	20	DGCD	
Oc1cccc2c1[C@H](NCCc1nc3c(s1)CCC3)CC2	926928761	GJBIWUSTMQMVEB-CYBMUJFWSA-N	300.427	3.157	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@H](NC(=O)c3ccccc3)C2)cc1C	1019946590	HNFSHNHOTCATCH-IYARVYRRSA-N	324.424	3.054	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCCC(F)(F)CC2)c1O	859535893	PUOGOUSUZVZEDB-UHFFFAOYSA-N	301.308	3.355	10	20	DGCD	
Cc1cc(C(=O)OCCO)c(C)n1-c1ccc(C(C)C)cc1	928989629	WYPINVWDXMHCDO-UHFFFAOYSA-N	301.386	3.367	10	20	DGCD	
CCC1(CC)CCCN(C(=O)NCCc2ccc(N)cc2)C1	851663211	VWMOYXSNMNYZHY-UHFFFAOYSA-N	303.450	3.423	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCc2ccco2)c1	850570237	ROYHQCLGNQNQSU-GFCCVEGCSA-N	303.358	3.055	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)CN2CCC(C)CC2)c1	850543125	FRMAMQOPZXEFLN-GJZGRUSLSA-N	306.450	3.172	10	20	DGCD	
CN(CCc1nccs1)Cc1cc(F)c(N(C)C)cc1F	862251096	ULECGTXMKQOFIM-UHFFFAOYSA-N	311.401	3.162	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C)[C@@H](C)C1	766800483	MWLVYQXKTLVQTG-HIFRSBDPSA-N	303.450	3.249	10	20	DGCD	
C[C@@H](CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1)N(C)C	765776977	XZFYCNKPWWERSI-LSDHHAIUSA-N	307.457	3.417	10	20	DGCD	
CS[C@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863166494	VHCXWYWKCWMEGZ-CQSZACIVSA-N	302.443	3.462	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C=C(C2CC2)C2CC2)c1	762804817	JVVJMTBACWQSRX-LLVKDONJSA-N	301.386	3.324	10	20	DGCD	
CN1CCN(c2ccc(CN(C)C3CCCCC3)cc2F)CC1	1116439199	MJZAJCLWNTXLOH-UHFFFAOYSA-N	319.468	3.342	10	20	DGCD	
Cc1ccc(O)c(CNCc2ccccc2OCCCCO)c1	877652120	BCUBTQNALFFCRI-UHFFFAOYSA-N	315.413	3.142	10	20	DGCD	
CCCOc1ccc(CNCCCNC(=O)C(C)C)cc1C	873098068	JGHYKHGBQUXRQR-UHFFFAOYSA-N	306.450	3.036	10	20	DGCD	
Oc1ccc(CCNc2ncncc2-c2ccccc2)cc1O	774681700	BKASAEGOKBPYEV-UHFFFAOYSA-N	307.353	3.209	10	20	DGCD	
CCO[C@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C	773023386	XGDQHRQHLXKRIV-WMLDXEAASA-N	306.450	3.381	10	20	DGCD	
CC[C@H](NC[C@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1	777012291	PCYBNDGKFMKGFQ-KBPBESRZSA-N	304.356	3.371	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CC[C@@H](C2CCOCC2)C1	775724423	CVFZJOJPBOYXSU-GFCCVEGCSA-N	313.800	3.433	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C(C)=C3CCC3)CC2)cc1	1117794612	JPTGLSHOZHRSID-UHFFFAOYSA-N	314.429	3.234	10	20	DGCD	
Cc1ccc(CNc2cccc(N3C(=O)CCCC3=O)c2)c(O)c1	877490116	UXVVSZPGYNSBIP-UHFFFAOYSA-N	324.380	3.356	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC=C(c2ccccc2)C1	779678744	CLIFIJUVSUZIHR-CLFYSBASSA-N	307.349	3.037	10	20	DGCD	
Cc1cccc(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)c1O	775709590	VBFRRGMQPQGXQD-SFHVURJKSA-N	324.424	3.328	10	20	DGCD	
Cc1noc(Cl)c1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775402853	DKMIZIGWIZFKJG-SNVBAGLBSA-N	321.808	3.122	10	20	DGCD	
CCCCC[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC	789574158	BGVJNNMFIATXFY-CYBMUJFWSA-N	317.788	3.396	10	20	DGCD	
CC(C)C(C)(C)CNC(=O)NCc1ccc(N(C)C)c(F)c1	782636683	HFDUTMZDAWCRAK-UHFFFAOYSA-N	309.429	3.373	10	20	DGCD	
Cc1ccc(O)c(CNc2cccc(N3CCNC3=O)c2C)c1	785553006	CMVJMAYPFXNCEJ-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
O[C@H]1c2ccccc2C[C@@H]1NCc1ccc(N2CCCCC2)cc1	898393729	WJHXUWXTBXZSOJ-SFTDATJTSA-N	322.452	3.425	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(F)(F)F)n[nH]2)cc1OC	799734705	NLKJWMWQFJDGTA-UHFFFAOYSA-N	315.295	3.082	10	20	DGCD	
COc1cc(C)cc(CNCC(C)(C)C2(O)CCCC2)c1O	894941512	MKJWWHJBXGTZTR-UHFFFAOYSA-N	307.434	3.130	10	20	DGCD	
O=C(CCSCc1ccccc1)NCc1ccccc1O	792240744	ZVNFTXKFPBYYRS-UHFFFAOYSA-N	301.411	3.332	10	20	DGCD	
CCOc1cc(Cl)ccc1CNC(=O)c1cccc(O)c1O	790903965	QKCUTTJFGWQSTO-UHFFFAOYSA-N	321.760	3.080	10	20	DGCD	
Cc1ccc(NCCNCc2ccc(N3CCCC3)cc2)nc1	1334332373	ZYARGHIMDNANDB-UHFFFAOYSA-N	310.445	3.192	10	20	DGCD	
Cn1cccc1CNC(=S)Nc1ccc(Br)cc1	1196630380	MNSQYPKOWZACRY-UHFFFAOYSA-N	324.247	3.274	10	20	DGCD	
CCn1c(-c2ccsc2)nnc1N(C)Cc1ccccc1O	1340196145	PNMAJRPYBFEDQG-UHFFFAOYSA-N	314.414	3.369	10	20	DGCD	
O=C(O)c1cccc(CNCc2cc(Cl)c(F)cc2O)c1	1602438805	PQUWLSWJOQELEP-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
C[C@](NCc1cc(Cl)c(F)cc1O)(C(=O)O)c1ccccc1	1589128842	OJBBKUBDLJYMDQ-MRXNPFEDSA-N	323.751	3.274	10	20	DGCD	
C[C@H]1CCC[C@@](NCc2ccc3c(c2)CCCO3)(C(=O)O)C1	1776633944	HLCYBRUENSPGAP-UGSOOPFHSA-N	303.402	3.135	10	20	DGCD	
CC(C)[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	67902068	ZEDBSBQJKMAGKI-INIZCTEOSA-N	318.461	3.164	10	20	DGCD	
CCN(C(=O)[C@H](C)N(C)Cc1ccccc1O)c1ccccc1	111236475	LQJMEKKHOCLYFE-HNNXBMFYSA-N	312.413	3.266	10	20	DGCD	
Oc1ccccc1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1	179568458	UAUJEJLZFOAROT-QGZVFWFLSA-N	305.324	3.244	10	20	DGCD	
CCOCc1nnc(NCc2ccc(N3CCCCC3)cc2)o1	181843855	QYUMMGGWLJRKJU-UHFFFAOYSA-N	316.405	3.209	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCOC1)c1cc(Br)ccc1O	185089496	XUBIHLFYQUGFLF-MNOVXSKESA-N	314.223	3.232	10	20	DGCD	
CN(Cc1cccc(Cl)c1O)Cc1nccn1C(F)F	179704996	IYHAFTMZWGJPNT-UHFFFAOYSA-N	301.724	3.269	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)OCC(F)(F)F	173258843	LZJHSYKGJVXMSS-UHFFFAOYSA-N	303.280	3.060	10	20	DGCD	
COCCCOc1cccc(CNCc2cc(C)ccc2O)c1	125864544	XHWGNJUPLCFQKR-UHFFFAOYSA-N	315.413	3.406	10	20	DGCD	
C[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1cc(F)ccc1O	186230756	CAVVEUFUNNVVMQ-TZMCWYRMSA-N	309.381	3.258	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](c3ccccc3)C2)cc1	120054513	NTUASALZQPVRFI-SFHVURJKSA-N	323.440	3.452	10	20	DGCD	
CC[C@H](NCCC[C@H](C)O)c1cc(Br)ccc1O	228036724	FHDJGJNZXBPNMF-GWCFXTLKSA-N	316.239	3.356	10	20	DGCD	
C[C@H](NCc1cc(Br)ccc1O)c1cccnc1	224536297	MZIMJRUUOPJPOI-JTQLQIEISA-N	307.191	3.401	10	20	DGCD	
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)Cc1ccc(N)cc1	237591379	RXJKIEKWZOCWRU-UHFFFAOYSA-N	323.396	3.107	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H](O)Cc2ccccc21	435041337	PJXWIJBMOXABRC-SBSDFTTDSA-N	310.353	3.032	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CCC[C@@H](C2CC2)C1	368144510	ZTDFJDSZFGHWOK-GOSISDBHSA-N	300.446	3.145	10	20	DGCD	
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(C)c(O)c1O	272800023	YLDFDZNGZAUYCM-GFCCVEGCSA-N	313.353	3.142	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)[C@@H](OC)c2ccccc2F)c1	272378534	DGEGLXYOKCUWKB-KZULUSFZSA-N	319.376	3.406	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1	278403391	OPBBWOZGMKOOCK-MFKMUULPSA-N	323.742	3.181	10	20	DGCD	
COc1cc(O)c(CNCc2cc(C)cc(Cl)n2)cc1OC	282500794	NTHNXEBEWMPLEW-UHFFFAOYSA-N	322.792	3.056	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@H](O)c1ccccc1	288547154	LFUYYPRMTYRPCV-UGSOOPFHSA-N	302.393	3.103	10	20	DGCD	
O=C(Cc1cncs1)NCc1cc(Cl)cc(Cl)c1O	807840449	DAVLMJOPGIGNQJ-UHFFFAOYSA-N	317.197	3.014	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccnc1F	807837780	CNFVQZNGPGMJSY-UHFFFAOYSA-N	315.131	3.163	10	20	DGCD	
COC1(C(=O)NCc2c(C)c3ccccc3n2C)CCCCC1	471231811	NKDWFPRHZHPYNF-UHFFFAOYSA-N	314.429	3.452	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(F)ncc2F)cc1	296261285	DIYUMGUFWDYOTM-UHFFFAOYSA-N	305.372	3.496	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC2CCC1CC2	560084417	SQKWGFXACZLQEZ-XUJLQICISA-N	314.429	3.304	10	20	DGCD	
Cc1ccc(O)c(CN2CCCC[C@@H]2COC(=O)NC(C)C)c1	809720686	KOWXZSYYHCQRRX-MRXNPFEDSA-N	320.433	3.190	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3ncncc3Cl)C2)cc1	819934986	OTDRYDSSNHUWFF-LBPRGKRZSA-N	318.808	3.077	10	20	DGCD	
COC(=O)CCC[C@H]1CCC[C@@H](NCCc2ccc(N)cc2)C1	817957866	PZYCOVLFKFHBMK-SJLPKXTDSA-N	318.461	3.303	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCCN1)c1cc(Cl)cc(Cl)c1O	817954225	WGPJMZHPZUWCJD-GXFFZTMASA-N	303.233	3.492	10	20	DGCD	
CO[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	814405512	MRWNQDUVFKMNKD-AEFFLSMTSA-N	316.445	3.108	10	20	DGCD	
Oc1c(CNc2ccc(-n3cncn3)cn2)ccc2ccccc12	816590993	QMMRNCWFVOEWNS-UHFFFAOYSA-N	317.352	3.133	10	20	DGCD	
C[C@@H](CCCN)N[C@H](C)c1cc(Br)cc(F)c1O	817977955	RZECQHZIVXWATG-DTWKUNHWSA-N	319.218	3.072	10	20	DGCD	
CCC(C)(C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819583854	ASCYKKOGCIPGFV-OAHLLOKOSA-N	318.461	3.464	10	20	DGCD	
CCOc1ccc(CNCc2cn3cc(C)ccc3n2)c(O)c1	729680918	GSOGXGGEDXKXPO-UHFFFAOYSA-N	311.385	3.037	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(OC(C)C)cc2)c1O	729861062	AIZWNFIDEXIDNZ-UHFFFAOYSA-N	315.369	3.118	10	20	DGCD	
Cc1cccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1O	827195922	BXJGSAUKTKNYKH-RBUKOAKNSA-N	311.425	3.299	10	20	DGCD	
CN(Cc1scnc1C1CC1)c1ccc(OCC(=O)O)cc1	902013742	AHKCAXHCEMMHIY-UHFFFAOYSA-N	318.398	3.120	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCC[C@H](O)c1ccccc1	830141749	XQDVDNJDTTYWAH-KRWDZBQOSA-N	313.397	3.255	10	20	DGCD	
C[C@H](NCC(C)(C)C1CCOCC1)c1cc([N+](=O)[O-])ccc1O	903244619	ZVLWVRJKTLDWSA-LBPRGKRZSA-N	322.405	3.404	10	20	DGCD	
CCOc1cccc(CNC2(CC(=O)O)CCCCC2)c1O	830104857	WSRHTCPPSLFLHV-UHFFFAOYSA-N	307.390	3.058	10	20	DGCD	
CCOc1ccc(N(CC)Cc2ccc(C(=O)NC)cc2)cc1	731354169	ATBCCIWHMYWCCZ-UHFFFAOYSA-N	312.413	3.471	10	20	DGCD	
COc1cc(C(=O)NCCCSc2nccs2)ccc1C	733880473	KWVZPJYNWLNIBC-UHFFFAOYSA-N	322.455	3.372	10	20	DGCD	
Cc1ncoc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	747367899	VBYODIGYNYDOLC-UHFFFAOYSA-N	301.390	3.100	10	20	DGCD	
Cc1cc(CCNC(=O)[C@@H]2CCC(=O)C2)c(C)n1-c1ccccc1	843758573	UGRSLBBMVLVCQM-QGZVFWFLSA-N	324.424	3.122	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)CCCCSC)cc1	844855230	RNOHBNQQGGGWOY-UHFFFAOYSA-N	324.490	3.123	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)Cc1cnccn1	840894048	OUCXIKUCRYOHJM-HZPDHXFCSA-N	312.461	3.003	10	20	DGCD	
CC(C)[C@H](NC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F	844645250	QIYVHTHJHJRMLA-NSHDSACASA-N	324.730	3.432	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCC1(O)CCSCC1	849325094	VMYNIGMCBRZFSH-UHFFFAOYSA-N	320.483	3.437	10	20	DGCD	
Cc1cc(Cl)nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	929532975	PSCLDGMIIBEFEN-UHFFFAOYSA-N	317.820	3.382	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@H]1C	850568006	NVVPRTXWSIWHSA-CCKFTAQKSA-N	302.462	3.172	10	20	DGCD	
Cc1cc(CNC(=O)CCc2cnc[nH]2)c(C)n1-c1ccccc1	863164383	IHNDQYQCXBLHSL-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1	860966336	VSAZFJHEHVADTA-LBPRGKRZSA-N	318.339	3.477	10	20	DGCD	
C[C@@H](NC(=S)NCCc1cccs1)c1ccccc1O	865269719	XODJHZPMPNAAGX-LLVKDONJSA-N	306.456	3.222	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC(C(C)(C)O)CC2)c1O	877753575	GZQSYQVKXAWSED-UHFFFAOYSA-N	313.825	3.037	10	20	DGCD	
CCOC(=O)N1CCC[C@H]([C@H](C)NCc2cc(C)ccc2O)C1	776806066	BPAMQSHTLTYZQH-GJZGRUSLSA-N	320.433	3.047	10	20	DGCD	
Cc1ccc(CN[C@@H](C)CCCNC(=O)OC(C)(C)C)c(O)c1	877557104	NJCJSVXKHPKHPY-AWEZNQCLSA-N	322.449	3.484	10	20	DGCD	
COC(=O)c1ccc([C@H](C)N[C@H](C)c2cc(OC)ccc2O)o1	775369843	SQNUJLQVHCYTAR-MNOVXSKESA-N	319.357	3.192	10	20	DGCD	
Cc1c(NCc2cc(Cl)c(F)cc2O)cccc1C(N)=O	1117720852	DCEZACGOPQDUQN-UHFFFAOYSA-N	308.740	3.204	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1C	776149616	ISGICXBRGBHHDO-CXAGYDPISA-N	303.450	3.391	10	20	DGCD	
CCO[C@@H]1COCC[C@H]1N[C@@H](CC)c1cc(Cl)ccc1O	775554764	CZTXJNRISVEXHI-SQWLQELKSA-N	313.825	3.280	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@@H]3CCCCS3)cc2)CC1	877302757	KELLPFPMLZZBKU-SFHVURJKSA-N	320.502	3.023	10	20	DGCD	
C[C@H](NC(=O)NCC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1	773436845	SEJVIXBLCSAJKX-YOEHRIQHSA-N	319.449	3.072	10	20	DGCD	
CC(=O)N(C)c1ccc(CN[C@@H](C)c2c(O)cccc2F)cc1	886641530	LTHFTVBAOIFQBF-LBPRGKRZSA-N	316.376	3.365	10	20	DGCD	
CC(C)[C@@H](CN[C@H](C)c1cc(F)ccc1O)c1ccnn1C	788257568	AHHXEVZGESLKGL-IUODEOHRSA-N	305.397	3.355	10	20	DGCD	
CCSCc1ccnc(NC(=O)c2ccc(C)c(O)c2O)c1	780998215	ZDSPYXSVDDPJEB-UHFFFAOYSA-N	318.398	3.307	10	20	DGCD	
CN(C)c1ccc(CNCC(C)(C)N(C)C)c(C(F)(F)F)c1	792887602	AYYIUIQTIOGORD-UHFFFAOYSA-N	317.399	3.201	10	20	DGCD	
O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(O)c1O	794279791	KIIJSFBJMXFVPZ-JSGCOSHPSA-N	315.344	3.303	10	20	DGCD	
CO[C@@H]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	1337237844	RVYZFQPBLRVBSH-ZYHUDNBSSA-N	318.200	3.130	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CCC[C@H]2CCC[C@H]21	1338750737	NXEJUKWYDZYWGJ-GHMZBOCLSA-N	304.419	3.018	10	20	DGCD	
COc1cc(CN[C@H]2CC[C@H](OC)C2)c(O)c(C(C)(C)C)c1	1333306561	DOVVWOGLXCLMIK-KBPBESRZSA-N	307.434	3.355	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2)cc1)[C@@H](O)c1ccccc1	1347225945	ZUHCRERFFYLLHG-OXQOHEQNSA-N	310.441	3.499	10	20	DGCD	
CCN(CCCNCc1ccccc1O)C(=O)OC(C)(C)C	222037516	UCUJUGDGYWUOET-UHFFFAOYSA-N	308.422	3.129	10	20	DGCD	
CCCN(Cc1csc(C(=O)O)c1)c1ccc(CN)cc1	1595891056	KRJWCMMYIZVXSS-UHFFFAOYSA-N	304.415	3.322	10	20	DGCD	
C[C@@H](N[C@@H](C(=O)O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	1593196124	UPSFOMBRINCKIB-SJKOYZFVSA-N	316.376	3.368	10	20	DGCD	
CN(Cc1cccc(O)c1Cl)c1ccc(OCC(=O)O)cc1	1598526638	MYYHIOOUBNMFSL-UHFFFAOYSA-N	321.760	3.145	10	20	DGCD	
COc1ccc(O)c(CNc2ccc3c(C(=O)O)c[nH]c3c2)c1	1599598956	WZOCLZYMAOJCMW-UHFFFAOYSA-N	312.325	3.192	10	20	DGCD	
CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1	5977325	BUZOQFMHMFVEHY-UHFFFAOYSA-N	309.362	3.456	10	20	DGCD	
CCc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)cc1	109769849	DIUVNFQKEMPESI-AWEZNQCLSA-N	312.413	3.414	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cc(F)cc2c1OCOC2	171925886	LYUNERYIZXZZTR-UHFFFAOYSA-N	303.333	3.030	10	20	DGCD	
C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1O	179877837	ZKLHYMDQEOGXBY-CRAIPNDOSA-N	324.424	3.234	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CC[C@H](C)[C@H](C)C1	1352321158	NSWHWSYHAKSQFU-WDEREUQCSA-N	306.435	3.214	10	20	DGCD	
CCOc1cccc(CNc2cccc(-c3nncn3C)c2)c1O	122643260	MMDDCSSLJRKILR-UHFFFAOYSA-N	324.384	3.199	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)c2ccccc2Cl)c1	305779201	RKIGPVSGZJLSCR-GTNSWQLSSA-N	321.804	3.438	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N(C)C	189000292	BDENFTURTNEEPZ-CVEARBPZSA-N	317.477	3.194	10	20	DGCD	
CSc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	183482925	HHZJICLEPKUATJ-LLVKDONJSA-N	317.410	3.181	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCCN2)cc1	316305809	ZXRIBOLIJITXGI-IPMKNSEASA-N	301.478	3.153	10	20	DGCD	
COc1ccc(N(Cc2ccccc2)C[C@H](O)CSC)cc1	187949595	SIPDETWCNXLZEX-KRWDZBQOSA-N	317.454	3.426	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)c2cccc(F)c2)cc1OC	140338065	GPTGYMKKWUYAOS-HNNXBMFYSA-N	305.349	3.013	10	20	DGCD	
COc1ccc(O)c(CNC[C@@]2(N(C)C)CCC[C@H](C)C2)c1	237204541	SIHNIWUFIYAEQH-KBXCAEBGSA-N	306.450	3.001	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)c(O)c1	92073227	RTRUQOYYWKWMAO-HNNXBMFYSA-N	315.417	3.284	10	20	DGCD	
Cc1cnc(-c2ccccc2NC(=O)c2ccc(C)c(O)c2O)[nH]1	367878967	NAYQYYVQKADTLG-UHFFFAOYSA-N	323.352	3.357	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NC[C@@H](C)N(C)C)c1O	275387137	YJDYPGVQLWNVIF-MNOVXSKESA-N	315.255	3.064	10	20	DGCD	
CC[C@H](N[C@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1O	287724837	OSZUXXUOGSQDHH-FZMZJTMJSA-N	310.825	3.096	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1ccc(N3CCOCC3)cc1)CC2	295804957	CKNCQTPLLAZKIB-GOSISDBHSA-N	324.424	3.006	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc3c(c2)CCC=C3)c(O)c1	803292598	RRUNBAQHAQJPEB-UHFFFAOYSA-N	309.365	3.290	10	20	DGCD	
C[C@@H](c1ccccc1O)N1CCC[C@H](CC(C)(C)C(N)=O)C1	296653911	ZDGRODORQQOAHB-UONOGXRCSA-N	304.434	3.067	10	20	DGCD	
O[C@@H](CNCc1ccc(N2CC=CC2)cc1)c1cccc(F)c1	819094432	GRHMULJLMLORTI-IBGZPJMESA-N	312.388	3.025	10	20	DGCD	
CC[C@@H](NC[C@H](N)C1CC1)c1ccc(Cl)c(Cl)c1O	817964485	AGVVBOARGCIGBL-NWDGAFQWSA-N	303.233	3.477	10	20	DGCD	
COc1ccccc1NC[C@H](O)COc1ccc(SC)cc1	819394195	SJHBUEJFUCNVPM-ZDUSSCGKSA-N	319.426	3.269	10	20	DGCD	
COCC(C)(C)CNCc1cc(C)cc(Br)c1O	813790061	HRWHXGUIJVBUMS-UHFFFAOYSA-N	316.239	3.225	10	20	DGCD	
Cc1ccccc1OCCCOC(=O)c1ccc(C)c(O)c1O	727004658	PFRXJMFXRXSTBJ-UHFFFAOYSA-N	316.353	3.341	10	20	DGCD	
OC[C@H](CN[C@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1	834802981	HPUAYENINLTAJJ-HOCLYGCPSA-N	317.816	3.399	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](N)CC(F)F	903874008	QKLCRAQNYQUVKV-OAHLLOKOSA-N	311.420	3.091	10	20	DGCD	
Cc1ccc(F)c(CCNC(=O)N(C)Cc2ccccc2O)c1	838685924	YUXFXTZTAWRRAQ-UHFFFAOYSA-N	316.376	3.224	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)C[C@@H]2C)cc1	740906961	KGGFSQGUGVYODQ-GJZGRUSLSA-N	303.450	3.473	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H](C2CCC2)C2CC2)cc1	836250357	NIDFLRWVZUAZSX-KRWDZBQOSA-N	301.434	3.131	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC1(C2CCC2)CC1	844887788	MPLHRDZEHFSANB-UHFFFAOYSA-N	313.445	3.419	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1ccnn1C	840893815	MGZIYRRWWVCJOB-CABCVRRESA-N	300.450	3.076	10	20	DGCD	
CCOCCC1(c2nc(Cc3ccc(N)cc3)no2)CCC1	843159320	OZVQOLJKGQKXSQ-UHFFFAOYSA-N	301.390	3.091	10	20	DGCD	
C[C@H]1CN(Cc2cc(F)ccc2O)c2cc(F)ccc2CN1	841048322	XIBKDTHDARHTEQ-NSHDSACASA-N	304.340	3.169	10	20	DGCD	
Nc1ccc(Cc2noc(-c3cccc([C@@H]4CCOC4)c3)n2)cc1	843158243	AJIANSUTYHUYSM-MRXNPFEDSA-N	321.380	3.414	10	20	DGCD	
COc1ccc(N2CCC(NCc3cccc(N)c3)CC2)cc1	849350302	NGAKZRXDYMUZJF-UHFFFAOYSA-N	311.429	3.036	10	20	DGCD	
CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2[C@@H]2CCNC2)cc1	841087459	NWNXDBPYONRKDA-YHTLKTDXSA-N	313.489	3.230	10	20	DGCD	
c1csc(SCCCNCc2cnn(C3CCC3)c2)n1	921755192	QQXQBOMLLHFYBT-UHFFFAOYSA-N	308.476	3.337	10	20	DGCD	
CCOCc1cc(CN[C@H](C)Cc2ccccn2)ccc1OC	848566956	MWCGDYKQEGMWBH-OAHLLOKOSA-N	314.429	3.348	10	20	DGCD	
CN(C[C@@H]1OCCc2ccccc21)C(=O)Nc1ccc(N)cc1	841298940	VBJYOYZSPVHLRN-KRWDZBQOSA-N	311.385	3.047	10	20	DGCD	
Fc1cc(CNC2CCC3(CC2)CC3)ccc1N1CCOCC1	752893967	VKVMUFYWUWYPQG-UHFFFAOYSA-N	318.436	3.475	10	20	DGCD	
OC[C@H]1C[C@H](N[C@H](CCc2ccccc2)c2ccccc2O)C1	927148992	WLHZELPKWCVODX-ZHALLVOQSA-N	311.425	3.427	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1cc(F)ccc1F	759594911	OLPPYDTUKQJHFS-QHHAFSJGSA-N	306.264	3.133	10	20	DGCD	
C[C@@H](NCC1CCN(CC2CC2)CC1)c1ccc(F)cc1O	850583755	OTVWAHNWVVKFLT-CYBMUJFWSA-N	306.425	3.304	10	20	DGCD	
COc1ccc(N(C)Cc2cccc3nsnc23)c(OC)c1	752112592	IWAAJERQNDIQTA-UHFFFAOYSA-N	315.398	3.345	10	20	DGCD	
CN1CCN(c2ccc(CNC3CCC4(CC3)CC4)cc2)CC1	766214202	ZJFAHISYUJHCNI-UHFFFAOYSA-N	313.489	3.251	10	20	DGCD	
CN1CCN(c2ccc(CN(C)Cc3ccccc3)cc2)CC1	775632832	ACDOOMDGHHMCHJ-UHFFFAOYSA-N	309.457	3.070	10	20	DGCD	
COc1cc(Cl)cc(CNCC[C@H](O)C2CCCC2)c1O	877777430	AKZVFRYJASVXJA-AWEZNQCLSA-N	313.825	3.085	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](F)Cc1ccccc1	778228961	VQBLRMAYZNCLKB-SFHVURJKSA-N	314.404	3.292	10	20	DGCD	
C[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(N(C)C)cc1	773017970	JPUCFKKZOUEVBP-CQSZACIVSA-N	322.408	3.406	10	20	DGCD	
Oc1ccc(F)cc1CN1CCN(c2cccc(F)c2F)CC1	779021731	WRIPQZUXJQVYAJ-UHFFFAOYSA-N	322.330	3.132	10	20	DGCD	
CC(C)CCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773017654	IBSKEBQBNRUDDP-GJZGRUSLSA-N	306.450	3.381	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H]2CCC[C@H]1C2	892004660	KUKIRQIWKQIBKM-WMZOPIPTSA-N	313.445	3.371	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c(O)c1	793151284	UKFLCEWPKKVXKA-SGMGOOAPSA-N	306.406	3.025	10	20	DGCD	
c1ncc2c(n1)CCN(Cc1ccc(N3CCCCC3)cc1)C2	895722839	LLTRLRDKAABRQM-UHFFFAOYSA-N	308.429	3.025	10	20	DGCD	
COc1ccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)c(O)c1OC	895551237	UMEKAPNGBOYXBV-GHMZBOCLSA-N	315.360	3.133	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCC[C@H](C)[C@@H]2C)c1O	795999121	HAFJZVBPOQZKRJ-AVGNSLFASA-N	322.405	3.471	10	20	DGCD	
Cn1c(O)nc2ccc(NCc3cccc(Cl)c3O)cc21	799740075	IMRAVAGIRYSBRV-UHFFFAOYSA-N	303.749	3.250	10	20	DGCD	
CCOC(=O)C[C@@H]1CCCN1Cc1cc2c(cc1O)CCCC2	1320578533	MNDCJLYCVLODOH-KRWDZBQOSA-N	317.429	3.189	10	20	DGCD	
CC[C@@H](NCC[C@H](C)NC)c1ccc(C(F)(F)F)cc1O	1326037081	VRKHMTMTANBJCL-GXFFZTMASA-N	304.356	3.450	10	20	DGCD	
C[C@H](CNCc1c(O)cccc1Br)c1ccncc1	1331272075	NNOPJXSWYJOBGS-LLVKDONJSA-N	321.218	3.443	10	20	DGCD	
O=C(O)[C@H]1CN(Cc2ccc(Cl)cc2O)Cc2ccccc21	1594951831	PQHHVZLPOHJAHY-HNNXBMFYSA-N	317.772	3.230	10	20	DGCD	
O=C(NCCCSc1nccs1)NOCc1ccccc1	153240422	BECSEDOASVQWSO-UHFFFAOYSA-N	323.443	3.056	10	20	DGCD	
CC(C)[C@H]1CN(Cc2ccc(Br)cc2O)CCO1	709000158	KTOWUXXDIRPULP-CQSZACIVSA-N	314.223	3.012	10	20	DGCD	
COc1ccc2c(c1)CCCN2C[C@@H](O)c1ccc(F)cc1	27960021	DEMVSMPJGRYCNO-GOSISDBHSA-N	301.361	3.321	10	20	DGCD	
C[C@@H](NCCC(=O)N(C)C)c1ccc(N2CCCCCC2)cc1	178294599	DAOGXFMBGLUEPH-MRXNPFEDSA-N	317.477	3.196	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1O	187804641	GEEJYFPIUNLUDC-ADLMAVQZSA-N	319.351	3.155	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCO1	182971828	FJNRAFXBADWDQD-OAHLLOKOSA-N	313.397	3.192	10	20	DGCD	
CN(Cc1cc2ccccc2o1)Cc1cc2c(cc1O)OCO2	83114030	BIXNTGVJYULEMJ-UHFFFAOYSA-N	311.337	3.499	10	20	DGCD	
CC[C@@]1(C)CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	190328973	WMVJUJOUTKIRLH-SFHVURJKSA-N	307.434	3.396	10	20	DGCD	
CN1CC[C@@H]2[C@@H](CCCN2Cc2c(O)ccc3ccccc23)C1	246197276	AKRPREMIDIUEGI-QFBILLFUSA-N	310.441	3.462	10	20	DGCD	
Cc1cccc([C@@H](NCc2ccc3c(c2)CCO3)C(=O)O)c1C	277352137	PNEYQRWIPVSDTF-GOSISDBHSA-N	311.381	3.154	10	20	DGCD	
CC(C)c1nc(C2CCN(Cc3cc(F)ccc3O)CC2)no1	272337376	XTNHPONLEMRDRV-UHFFFAOYSA-N	319.380	3.417	10	20	DGCD	
COc1cccc(CNC[C@]2(C)OCCc3sccc32)c1O	289972026	YYOFOVFJNIILCV-KRWDZBQOSA-N	319.426	3.040	10	20	DGCD	
CCOc1ccc(O)c(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1	291542614	LKLVJNYKPSCJCE-DLBZAZTESA-N	305.418	3.180	10	20	DGCD	
CC(C)N(CC(=O)N1CCCCCC1)Cc1cc(F)ccc1O	809715020	WKVPBHWHMJKDOG-UHFFFAOYSA-N	322.424	3.144	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H](CC)c1ccc(F)cc1O	293678567	KDNMVFHGVVAMKB-WFASDCNBSA-N	310.413	3.124	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCCCCC(=O)C1)c1ccc(N(C)C)cc1	813524615	DTHPTQUEUPWJCZ-ZBFHGGJFSA-N	316.445	3.469	10	20	DGCD	
CCn1nc(C)c(CN[C@H](C)c2cc(Cl)cc(C)c2O)n1	818345812	PJZMBEJPMQKFLG-SNVBAGLBSA-N	308.813	3.125	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2cccnc21	819824860	NQTZBLQQAFDFRC-GOSISDBHSA-N	323.440	3.226	10	20	DGCD	
Cc1cc(CN[C@](C)(CO)C2CCCCC2)ccc1N(C)C	815052438	ONHBBDBHQXKOMG-LJQANCHMSA-N	304.478	3.482	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3ccc(C)nc3)C2)cc1	818220659	IJAVCNNFFSVMRS-KRWDZBQOSA-N	311.429	3.015	10	20	DGCD	
COc1cccc(C[C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1	827455029	WSVQEVYPLYGJKV-SFHVURJKSA-N	324.424	3.054	10	20	DGCD	
Cc1cccc2c1O[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C2	828860847	IPDFAPYIGPLDIL-RDTXWAMCSA-N	324.424	3.242	10	20	DGCD	
CC(=O)Nc1ccc(NC(=O)c2cc(O)cs2)cc1Cl	732264733	VVYLKIUOAVGQEY-UHFFFAOYSA-N	310.762	3.318	10	20	DGCD	
Oc1ccccc1CN(Cc1cn2cccnc2n1)C1CCCC1	732204986	WTWXVWFTAACZQQ-UHFFFAOYSA-N	322.412	3.380	10	20	DGCD	
CN(Cc1ccc2oc(C(=O)O)cc2c1)Cc1ccccc1O	737487224	LVANSXOZBTWOAN-UHFFFAOYSA-N	311.337	3.469	10	20	DGCD	
CC[C@H](OC1CCCC1)C(=O)N[C@@H](C)c1cc(OC)ccc1O	733362200	IGKOKPWLHZZDKR-SJCJKPOMSA-N	321.417	3.316	10	20	DGCD	
CC[C@H](C)NC(=O)CN(Cc1ccccc1O)C1CCCC1	732205008	XFZXACCCHHWHHW-AWEZNQCLSA-N	304.434	3.052	10	20	DGCD	
CCCCOC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1	917074351	YVHAJXUKNZWHBF-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CN(c1ccc(CNC(=O)c2ccon2)cc1)C1CCCCC1	747163980	GBAIBONTEUEYTL-UHFFFAOYSA-N	313.401	3.374	10	20	DGCD	
C[C@H](c1ccc(F)cc1)N(C)C(=O)NCCc1ccc(N)cc1	841961204	BQYMTBBOEGOAGH-CYBMUJFWSA-N	315.392	3.353	10	20	DGCD	
C[C@H]1C[C@H](C)CN(CCCCNC(=O)Nc2ccc(N)cc2)C1	841302082	LCUSNDOIHXRPQF-GJZGRUSLSA-N	318.465	3.148	10	20	DGCD	
CCC[C@H](C)[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841956397	ALVUXXCMVGNPJJ-WMLDXEAASA-N	303.450	3.422	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccccc2N)cc1	844167094	OIPNPXPPUHEEDN-UHFFFAOYSA-N	311.429	3.387	10	20	DGCD	
CCCCCNC(=O)CN(c1ccc(OC)c(F)c1)C(C)C	749149967	FUCHXCRFAQNHJS-UHFFFAOYSA-N	310.413	3.356	10	20	DGCD	
CSC[C@@H](C)NC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840306176	RXAPULXOLJEIIU-ZIAGYGMSSA-N	323.506	3.043	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1nncn1Cc1ccccc1	840880894	FROADPZLBJPQKJ-UHFFFAOYSA-N	321.428	3.313	10	20	DGCD	
CCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)co1	753486719	IZWOBAKOPHYLAW-UHFFFAOYSA-N	313.401	3.108	10	20	DGCD	
COCC1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1	854005036	YKKMHUPFNBFHNF-CQSZACIVSA-N	319.449	3.072	10	20	DGCD	
CCOc1ccc(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1	763533067	YYADCPKSIFBOFW-WMLDXEAASA-N	307.434	3.474	10	20	DGCD	
CN(C)CC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	768302562	IHGSRLWMKZBJCA-UHFFFAOYSA-N	315.505	3.451	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nocc2C)cc1	864634714	ORTSQGPNLZGZAO-UHFFFAOYSA-N	301.390	3.101	10	20	DGCD	
COc1cc(CN2CCc3ccc([N+](=O)[O-])cc32)c(O)cc1C	768441712	GNLGECDINHKJNL-UHFFFAOYSA-N	314.341	3.180	10	20	DGCD	
Cc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c(O)c1	877476511	GJNGSYMHHCWZQS-IEBWSBKVSA-N	315.388	3.096	10	20	DGCD	
CCCOc1ccc(CNCc2c(C)nn(C)c2C)cc1C	873033827	JYNURXNJEOJHBS-UHFFFAOYSA-N	301.434	3.424	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2cc[nH]c2n1)c1ccc(N(C)C)cc1	775408725	BIUDNMFYMURJRD-GFCCVEGCSA-N	308.385	3.120	10	20	DGCD	
CO[C@@](C)(CNCc1ccc(Br)cc1O)C1CC1	691490848	YKDNWERHYZLHPJ-AWEZNQCLSA-N	314.223	3.059	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNCCC(F)(F)F	715789385	QDKDJNBBEFRFKN-UHFFFAOYSA-N	316.092	3.336	10	20	DGCD	
CCCC(=O)N1C[C@H](CNCc2ccc(OC)c(C)c2)C[C@H]1C	980307258	OGSMYVSAUWYJSE-WBVHZDCISA-N	318.461	3.130	10	20	DGCD	
OC[C@@H](C1CC1)[C@H](NCc1ccc(N2CCCC2)cc1)C1CC1	1324376641	CHJRCSAMOOVLPC-VQTJNVASSA-N	314.473	3.174	10	20	DGCD	
CCC(CC)(CCO)NCc1c(O)cccc1Br	1334906728	BPTXWRYWHHEJGY-UHFFFAOYSA-N	316.239	3.186	10	20	DGCD	
C[C@@H]1CCCCN1C[C@@H]1CCCN(Cc2ccc(N)cc2)C1	1334753950	KBWPDRMYWWFJJA-SJLPKXTDSA-N	301.478	3.355	10	20	DGCD	
CN(CCCCNCc1ccc(N2CCCC2)cc1)C1CC1	1344439048	RVBYMLSNEASTQI-UHFFFAOYSA-N	301.478	3.251	10	20	DGCD	
COc1cc(CN2CCC[C@H]2C[C@H](C)O)c(O)c(C(C)(C)C)c1	164601614	RHIFCBHKJNVAFK-ZFWWWQNUSA-N	321.461	3.434	10	20	DGCD	
C[C@@H](NCCCN1CCCCCC1=O)c1ccc(N(C)C)cc1	155498759	OQTBXFPVIRFGLN-MRXNPFEDSA-N	317.477	3.196	10	20	DGCD	
COC[C@@H]1CCCCN1Cc1cc(Br)ccc1O	307768698	HTCNUDQREIVWKP-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](c2ccccc2)C(C)C)c1O	175930494	BJRVCQJPKGJNIT-KRWDZBQOSA-N	313.397	3.457	10	20	DGCD	
O=C(NCCCSc1nccs1)NCc1ccccc1	115633191	RKYWIAYCEKYPLN-UHFFFAOYSA-N	307.444	3.125	10	20	DGCD	
COC(=O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1C	302389824	JBUJZVNXIGBHFU-LBPRGKRZSA-N	313.401	3.416	10	20	DGCD	
Cc1cc(C(=O)Nc2nncs2)c(C)n1-c1ccc(F)cc1	73181001	GRPMAGWQRGAFQD-UHFFFAOYSA-N	316.361	3.337	10	20	DGCD	
COCCOc1ccc(CN(C)c2ccc(OC)c(F)c2)cc1	180774769	GRRKZBONIXNSOH-UHFFFAOYSA-N	319.376	3.496	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCCCn2cccn2)c1	182412496	LVXAQKKUIDODMD-CQSZACIVSA-N	303.406	3.118	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC2(CCO)CCCCC2)c1	185669415	BNZGGYROSRJRJJ-AWEZNQCLSA-N	307.434	3.384	10	20	DGCD	
CC[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1	183525967	WMRRANQEUAMGKC-WMZOPIPTSA-N	316.445	3.108	10	20	DGCD	
C[C@@H]1CN(C)CC[C@@H]1N(C)Cc1cc(Cl)cc(Cl)c1O	290587022	VAXYGNJOAAFNHZ-YGRLFVJLSA-N	317.260	3.471	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)c2cccc(F)c2)cc1OC	140338252	GPTGYMKKWUYAOS-OAHLLOKOSA-N	305.349	3.013	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1	93282001	NKGAGSHFSXKZOX-HNNXBMFYSA-N	318.461	3.075	10	20	DGCD	
O=C(c1ccsc1)N(Cc1ccccc1O)C[C@H]1CCCO1	264646954	GBPPYDCJFFRKJQ-OAHLLOKOSA-N	317.410	3.275	10	20	DGCD	
CC(C)(C)c1csc(CNC(=O)NCc2ccccc2O)n1	264266547	GHLHDIXYJCAQNX-UHFFFAOYSA-N	319.430	3.146	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	367219527	NQADUCKOMUGQHC-INMHGKMJSA-N	303.402	3.088	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1F	378338181	XXXGJUVIJITZBH-HNNXBMFYSA-N	316.424	3.005	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H]1CCOC1	283549342	DTSJVWSMZZDFMZ-GDBMZVCRSA-N	320.433	3.129	10	20	DGCD	
CCCCN(CC(=O)N1CCC[C@@H](C)C1)Cc1ccccc1O	801596077	NYRSEXYPWAUDLU-MRXNPFEDSA-N	318.461	3.253	10	20	DGCD	
Cc1cc(C)cc([C@@H](O)CNCc2ccc(N(C)C)c(F)c2)c1	800897470	ZEKXGIGZVCAYIW-IBGZPJMESA-N	316.420	3.332	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@H](n3cc(C)cn3)C2)c(O)c1	290995178	VMEFAQHNXNHOFJ-MRXNPFEDSA-N	315.417	3.133	10	20	DGCD	
OC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F	809697883	QYTDQXLUGSSBAT-CMPLNLGQSA-N	323.742	3.038	10	20	DGCD	
O=C(CCn1cccc1)NCc1cc(Cl)cc(Cl)c1O	807839250	AQDKDOCUKYLCEY-UHFFFAOYSA-N	313.184	3.207	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCCN1)CCO2	817902544	TWERPXGPEIBYOY-OKZBNKHCSA-N	300.446	3.022	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCCCC(=O)C2)c1	813489252	UCNVTBKZULUWMO-STQMWFEESA-N	319.401	3.118	10	20	DGCD	
COc1ccc2c(c1)c1c(n2CC(=O)NCCCF)CCCC1	651535091	BYLCTKGOCBOFNK-UHFFFAOYSA-N	318.392	3.005	10	20	DGCD	
OC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)c2ccccc21	816636675	DVPDYNMOGBIMIZ-LLVKDONJSA-N	307.752	3.281	10	20	DGCD	
CCc1nocc1CNCc1ccc(N2CCSCC2)cc1	815116002	VGXXWXJVNYAIGD-UHFFFAOYSA-N	317.458	3.080	10	20	DGCD	
COC(=O)[C@@H]1CC[C@H](N[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1	903128584	CUCKCOQJGIPFMI-DCQANWLSSA-N	307.365	3.011	10	20	DGCD	
C[C@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(Cl)cc1O	903441114	XPXHKEKNVNBESU-UDTVLSCZSA-N	303.789	3.355	10	20	DGCD	
Cc1cnc(CCN[C@@H](C)c2cc(Cl)cc(C)c2O)cn1	834910701	YDOIJTMHFJPLIN-LBPRGKRZSA-N	305.809	3.346	10	20	DGCD	
C[C@H](N[C@@H](c1ccncc1)C1CC1)c1cc([N+](=O)[O-])ccc1O	903427739	JKFMKIZQALKWKY-APPDUMDISA-N	313.357	3.497	10	20	DGCD	
Cc1csc(CNC(=O)NCc2ccc(N(C)C)cc2)c1	836233309	HTKXJXRKYWBOLQ-UHFFFAOYSA-N	303.431	3.122	10	20	DGCD	
CC[C@H](COCC(F)(F)F)N[C@H]1CCc2cccc(O)c21	834844999	XLBRABQVVSWGOR-NEPJUHHUSA-N	303.324	3.327	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC/C=C/c2ccc(F)cc2)cc1	841046053	VJYDAJFRUILBEW-GNAXCBTBSA-N	313.420	3.195	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCC[C@@H](C3CC3)C2)cc1	841045809	QOHAQUJQWVHQDV-ZHALLVOQSA-N	301.478	3.311	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](O)c2cccc(C)c2)c1O	846156607	NHSIUHCISVCJGD-XJKSGUPXSA-N	301.386	3.093	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1cn(C)nc1C	840895335	XEUKTUVSURVOHA-CABCVRRESA-N	314.477	3.385	10	20	DGCD	
Oc1ccccc1CNCCc1nc(-c2ccncc2)cs1	741157816	CYXZVVDXGNFKBC-UHFFFAOYSA-N	311.410	3.243	10	20	DGCD	
C[C@@H](O)CN(Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1	848929670	YDDOSLUMMUBSIY-LLVKDONJSA-N	316.367	3.117	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)COC2)c1cc([N+](=O)[O-])ccc1O	756757299	CQORKRINFQLMJP-LLVKDONJSA-N	314.341	3.181	10	20	DGCD	
O=C(O)CCC1CCN(Cc2cc(Cl)c(F)cc2O)CC1	854241664	SKSSEZPFDBWQPB-UHFFFAOYSA-N	315.772	3.262	10	20	DGCD	
CCCC[C@@](C)(F)C(=O)N1CCN(c2ccc(OC)cc2)CC1	854199279	ZIYRTBCBJNOENF-GOSISDBHSA-N	322.424	3.262	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(F)c(C)c2)c1	756367171	XFUMYAFHNZTNKU-LBPRGKRZSA-N	317.360	3.477	10	20	DGCD	
COc1cc(CNC[C@@H]2CCCN(C)C2)c(O)c(C(C)(C)C)c1	850128653	GNHWGAAYAFMQGE-AWEZNQCLSA-N	320.477	3.130	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H]2CC(=O)N(C(C)(C)C)C2)c2c(O)ccc(F)c21	756736448	NWIMQEAFIMBAJS-NTZNESFSSA-N	320.408	3.069	10	20	DGCD	
C[C@@H](NCCC(C)(C)F)c1ccc(N2CCOCC2)c(F)c1	850533104	ZLLOBGGXLNTAMR-CYBMUJFWSA-N	312.404	3.451	10	20	DGCD	
COc1ccc2c(c1)OC[C@H](N[C@H](C)c1cc(F)ccc1O)C2	756774905	MHQHJKDBRNNKEE-BXUZGUMPSA-N	317.360	3.194	10	20	DGCD	
O=S(=O)(/C=C/c1cccc(Cl)c1)NCc1ccccc1O	768845784	GVMWHRGHXPHMAS-CMDGGOBGSA-N	323.801	3.136	10	20	DGCD	
Nc1ccc(OCc2cn(C[C@H]3CCCCC3(F)F)nn2)cc1	864633066	YFUIPRYTEALOBD-GFCCVEGCSA-N	322.359	3.265	10	20	DGCD	
C[C@@H](NCCc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1	764643596	ZWQQFNPMNJQJKE-CQSZACIVSA-N	312.413	3.375	10	20	DGCD	
CC[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)N(CC)CC	764895874	XFMWFOYUTAKECG-SFHVURJKSA-N	319.493	3.222	10	20	DGCD	
COC[C@H](CC(C)C)NCc1ccc(N2CCSCC2)cc1	765077270	BOCXQBVHBQWQBA-KRWDZBQOSA-N	322.518	3.391	10	20	DGCD	
CCN(C(C)=O)c1nc(CN[C@H](C)c2ccccc2O)cs1	877756566	SNEZPEUDRDCBAI-LLVKDONJSA-N	319.430	3.072	10	20	DGCD	
CCO[C@@H](C)c1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1	775832776	BOZMGXXTDFMTIV-STQMWFEESA-N	318.421	3.084	10	20	DGCD	
Cc1ccc(CN2CCC(CO)(c3ccccc3)CC2)c(O)c1	877548893	WCHVWTZCNCPXQZ-UHFFFAOYSA-N	311.425	3.227	10	20	DGCD	
Cc1ccc(CN(Cc2ccco2)C[C@H]2CCCO2)c(O)c1	876635598	ZFTXPPGEPYGWKM-QGZVFWFLSA-N	301.386	3.475	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1c[nH]cc1-c1ccccc1	778924389	CVAKCXKZZLNZMV-UHFFFAOYSA-N	308.337	3.023	10	20	DGCD	
C[C@H](NC(=O)NCCC(F)(F)F)c1ccc(N(C)C)cc1	773341494	UXULONAOBWKLOH-JTQLQIEISA-N	303.328	3.065	10	20	DGCD	
CC/C(C)=C(\C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	779857911	QGZSHCXHRKTXLS-BUHFOSPRSA-N	320.408	3.025	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN(CC2CC2)C1)c1c(O)cccc1F	886639841	MRBKWGMSHOAFDY-UKRRQHHQSA-N	306.425	3.304	10	20	DGCD	
C[C@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1c(O)cccc1F	886506205	GWLWJIHJLSOFNY-QWRGUYRKSA-N	320.330	3.066	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@]2(CO)CC(C)C)c(O)c1	789593771	VTVDUVXZFDVKIS-SFHVURJKSA-N	307.434	3.164	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)[C@H]3CCCOC3)CC2)cc1	780726145	XDWHOAOAQYPEMZ-HOTGVXAUSA-N	318.461	3.069	10	20	DGCD	
COc1cc(C)cc(CNc2cccc(C[S@](C)=O)c2)c1O	894130131	AESCCFVUGWAPNX-QFIPXVFZSA-N	319.426	3.200	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](C)c2ncc(C)s2)c1O	894460427	OSEBEONHNHREGK-LLVKDONJSA-N	306.431	3.367	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cc(F)ccc2F)c(O)c1	794761575	HOOUPACGWVFOCI-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(O)c1O	798018595	OAJLPUWNMGTEQO-UONOGXRCSA-N	317.772	3.346	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNc3nccc(CO)n3)c2C)c1	1334939616	OOTVREINXQBJSQ-UHFFFAOYSA-N	322.412	3.297	10	20	DGCD	
Cc1ccc(C(=O)O)c2c1CCCN2C(=O)/C=C\c1cccnc1	1607740637	QBWSQUDEYHKPOI-CLFYSBASSA-N	322.364	3.081	10	20	DGCD	
CC[C@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O	227683647	JNFLENOORQVLII-JSGCOSHPSA-N	308.422	3.346	10	20	DGCD	
CC1(C)C[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCO1	160437407	FHAQSORNMXKDOF-LLVKDONJSA-N	314.769	3.001	10	20	DGCD	
CC[C@@H](NC[C@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1	152430800	YDUAXUQRACYFKK-DNVCBOLYSA-N	301.478	3.278	10	20	DGCD	
C[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1O	154066116	IJOLHODKAIXZIT-MAUKXSAKSA-N	324.424	3.407	10	20	DGCD	
Cc1cc(C(=O)COC(=O)c2ccc[nH]2)c(C)n1-c1ccccc1	7104534	WEKRPIOWJYPKDV-UHFFFAOYSA-N	322.364	3.462	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCOC1CCCC1	108928961	PDYYNJIIUNTNBM-UHFFFAOYSA-N	320.433	3.273	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Cl)cc1	173194399	RNJXOVDMALULKH-UHFFFAOYSA-N	316.788	3.445	10	20	DGCD	
Cc1ncc(/C=C/C(=O)NCc2ccc(N(C)C)cc2C)s1	115280112	RASUHKRWGFZBKX-BQYQJAHWSA-N	315.442	3.156	10	20	DGCD	
CCOC(=O)CCN(Cc1c(O)ccc2ccccc12)C1CC1	65187780	RSSQZWLRHPRDKM-UHFFFAOYSA-N	313.397	3.463	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC=CCC1	60128015	OVZYLKVQDLRCMQ-HNNXBMFYSA-N	301.434	3.250	10	20	DGCD	
Cc1cc(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)o1	176977507	PZAWTMUXNPNPBG-UHFFFAOYSA-N	300.358	3.002	10	20	DGCD	
C[C@@H](NCCOCC(F)F)c1cc(Br)ccc1O	188746643	DYJKZQQIYIINJH-MRVPVSSYSA-N	324.165	3.087	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2csc(C)n2)cc1	79389870	QVWRGIGTIMQBGB-UHFFFAOYSA-N	317.458	3.157	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cc2c(s1)CCCCC2	182524941	JQKIPUVDUQPMLI-UHFFFAOYSA-N	317.410	3.358	10	20	DGCD	
Cc1cccc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1O	188808349	TWQYYHHGWRYAMF-ZFWWWQNUSA-N	317.351	3.274	10	20	DGCD	
COc1ccc(N(C)Cc2nc(-c3ccco3)no2)cc1F	121804126	OFPYRUWUCFXJSC-UHFFFAOYSA-N	303.293	3.114	10	20	DGCD	
CCN(CC)[C@H](CNCc1cccc(C)c1O)c1ccco1	181256018	XISCLJSMOWDXNG-MRXNPFEDSA-N	302.418	3.466	10	20	DGCD	
COc1ccc(CNCC(C)(C)NC(=O)OC(C)(C)C)cc1C	83475286	XTSDBAUBNDOKJG-UHFFFAOYSA-N	322.449	3.397	10	20	DGCD	
CCOc1cccc(CNC[C@H](C(C)C)N2CCCC2)c1O	236939842	JWMQMXWIKOUTPA-MRXNPFEDSA-N	306.450	3.001	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@H](C)c2cc(Cl)ccc2O)cn1	279014670	HEIMOIDGRLVAEN-SNVBAGLBSA-N	319.792	3.250	10	20	DGCD	
CC(C)CN1CC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	278293370	ZYKJRMIVXNPNPF-UHFFFAOYSA-N	316.188	3.000	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CCO3)CC2)cc1	367108408	QURVZKVCFRBVIP-UHFFFAOYSA-N	324.424	3.489	10	20	DGCD	
CCn1cc(CN[C@@H](C)c2cc(Br)ccc2O)cn1	273498378	POSPFAIMTKTCCQ-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccco2)Cc2ccnn2C)cc1	289711998	GSPCCSZDGPAQFS-UHFFFAOYSA-N	324.428	3.282	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(OCCCO)cc2)cc1	285569721	UASPWENVTLZVBE-UHFFFAOYSA-N	300.402	3.126	10	20	DGCD	
CC[C@@H]1CCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	386696467	MKCYITYKMPKTMG-WAFBPQNNSA-N	304.346	3.319	10	20	DGCD	
COc1cccc(CN[C@@H](C)[C@H]2OCCc3sccc32)c1O	291765086	SASOBJFOAYFEKM-APPDUMDISA-N	319.426	3.254	10	20	DGCD	
Cc1nnc(N(C)Cc2ccccc2O)n1CCc1ccccc1	290991121	KPFOENDGDYWSCC-UHFFFAOYSA-N	322.412	3.171	10	20	DGCD	
CCN(Cc1nc(-c2cc(C)ccn2)no1)c1ccc(OC)cc1	295734597	WSUZXJUVRVWCBL-UHFFFAOYSA-N	324.384	3.475	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H](O)c1ccccc1F	816537878	WWEIIIFAROOLGQ-OAHLLOKOSA-N	313.731	3.147	10	20	DGCD	
Oc1c(CN2CCS[C@H]3COCC[C@@H]32)ccc2ccccc12	816520604	SVYIMJYLBLEAMR-IRXDYDNUSA-N	315.438	3.252	10	20	DGCD	
Cc1cc(C(=O)OCc2cscn2)c(C)n1-c1ccccn1	728323002	QVGIRFIDFMEUPP-UHFFFAOYSA-N	313.382	3.303	10	20	DGCD	
Cc1ncc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1C	824474593	QCLVYMWPQRKPJB-UHFFFAOYSA-N	312.461	3.351	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](O)c2ccccc2C)cc1Cl	825255264	ZGAJYVHOSUBPGH-KRWDZBQOSA-N	305.805	3.486	10	20	DGCD	
CN(C)c1ccc(/C=C/CNCc2ccccc2CC(=O)O)cc1	903992030	XVWARKHQBXSLDU-AATRIKPKSA-N	324.424	3.183	10	20	DGCD	
C[C@@H]1CC[C@@H](CNCc2ccc(N(C)C)cc2C(F)(F)F)O1	835085982	DCBLMBKEYLNRNJ-RISCZKNCSA-N	316.367	3.429	10	20	DGCD	
COCCOc1cc(C)ccc1NC(=O)c1cc(O)cs1	731870115	CKNNMRMOHSVBRP-UHFFFAOYSA-N	307.371	3.040	10	20	DGCD	
CCN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCOC1	738080541	GQNIAIKBDIHEIC-ZDUSSCGKSA-N	307.434	3.254	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CCC[C@@H]4C[C@H]34)CC2)cc1	839190488	GLIZXYFRBNUQKD-CCKFTAQKSA-N	300.446	3.442	10	20	DGCD	
CCc1occc1C(=O)N(C)CCN(C)c1ccc(OC)cc1	844854626	BWEIXOBDTGOSCA-UHFFFAOYSA-N	316.401	3.059	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCN2CCC[C@H]2C1	840895494	YUQZXTAIXZYMOS-QRFRQXIXSA-N	315.505	3.208	10	20	DGCD	
Oc1c(Cl)cccc1CN1C[C@H](O)C[C@H]1c1ccccc1	840958115	NOCJKOSOCYOZGS-ZBFHGGJFSA-N	303.789	3.354	10	20	DGCD	
Cc1ccc(N2CCC[C@H](NC(=O)c3cc(O)cs3)C2)cc1	743718786	RTHIFHFIJPDDPY-ZDUSSCGKSA-N	316.426	3.161	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C	840918609	WPYZFDVNIPAARU-QFBILLFUSA-N	303.494	3.366	10	20	DGCD	
O=C(O)CC[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1	841805272	LTHNQUKTHVMDDQ-QGZVFWFLSA-N	311.381	3.317	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccccc1	841955225	WGSGGBQDHLYVPP-KDOFPFPSSA-N	309.413	3.214	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](CO)c2ccccc2C)c1O	846148885	UGNNKHWVRUXGLW-BBRMVZONSA-N	301.386	3.093	10	20	DGCD	
CCc1cccc(CN[C@@H](C(=O)OC)c2cccs2)c1O	848905620	KLWJIGJUENVCMS-CQSZACIVSA-N	305.399	3.020	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC[C@@H]1C(F)(F)F	910958119	WYXCMCPSQKTIHL-NEPJUHHUSA-N	317.307	3.083	10	20	DGCD	
C[C@@H](N)[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	843046677	YWAADUWUUYTZKT-VQIMIIECSA-N	301.478	3.379	10	20	DGCD	
C[C@H](Cc1ccccn1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	848567386	TXONUPWHSWAYQK-SNVBAGLBSA-N	321.764	3.070	10	20	DGCD	
O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccccc1O	748345294	DHERYKUIEFMZBX-UHFFFAOYSA-N	306.365	3.042	10	20	DGCD	
CCOc1ccc([C@H]2Nc3ccc(C)cc3C(=O)N2C)c(O)c1	741257323	ITQJCAFOJFQJDV-KRWDZBQOSA-N	312.369	3.296	10	20	DGCD	
COc1ccc(CN[C@@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)cc1C	848639362	IRHWMYUUUUEVIZ-AEGPPILISA-N	305.418	3.229	10	20	DGCD	
CCOc1ccc(CNCCNC2CCCCCC2)c(O)c1	841027376	AJKZNHYGCFEDGQ-UHFFFAOYSA-N	306.450	3.193	10	20	DGCD	
COc1cc(F)cc(CNCc2ccc3c(c2)CCCO3)c1	921957772	UMPOZGLOKYYUCU-UHFFFAOYSA-N	301.361	3.449	10	20	DGCD	
COc1ccc(N(C)CC(F)(F)Br)cc1OC	851735386	VKGAMPUPZKZSNT-UHFFFAOYSA-N	310.138	3.128	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)c3cnc4n3CCC4)cc12	851091363	BGFPMBGMVHSJLY-UHFFFAOYSA-N	309.369	3.157	10	20	DGCD	
Cc1cccc(-c2nc(C)c(C(=O)NCc3ccccc3O)[nH]2)c1	757101127	MZOCFQDIPPXHOI-UHFFFAOYSA-N	321.380	3.329	10	20	DGCD	
Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)c(O)c1O	751529339	AXBFSZWKYGKKKY-UHFFFAOYSA-N	305.761	3.032	10	20	DGCD	
CCc1nsc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1	750017616	WLSBCBRPMRLBTP-UHFFFAOYSA-N	302.447	3.336	10	20	DGCD	
CC(C)Oc1ccc(NC(=S)NCc2ccc(F)cn2)cc1	763164289	BAQLSCQGVCRXBE-UHFFFAOYSA-N	319.405	3.495	10	20	DGCD	
COc1ccccc1C[C@H](C)N(C)Cc1c(O)cccc1OC	769326909	QTNFMZMHVPFYKC-AWEZNQCLSA-N	315.413	3.472	10	20	DGCD	
CC[C@@H](NC(=O)NCc1cc(C)ccc1O)c1nc(C)cs1	875242315	MBQIFOCKNOQZAK-CYBMUJFWSA-N	319.430	3.416	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc(C)cc1O)c1ccc(C)c(C)c1	877427590	NFFYPZVMSJYMHR-SFHVURJKSA-N	313.397	3.321	10	20	DGCD	
CCC[C@@]1(CO)CCCN1Cc1cc(Cl)cc(F)c1O	775178300	VQYAOSRAWIIMBF-HNNXBMFYSA-N	301.789	3.312	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1coc(C2CC2)n1	777273747	FFNNPGJRJCPLEX-UHFFFAOYSA-N	312.369	3.066	10	20	DGCD	
COc1ccc2c(c1)N(Cc1cc(F)ccc1O)C[C@@H](C)O2	776523109	HZUVTZILTDNHMP-LLVKDONJSA-N	303.333	3.327	10	20	DGCD	
Cc1cccc(C2(C(=O)NCc3ccc(O)c(O)c3)CCC2)c1	778927939	XCDVVKHDEFATFV-UHFFFAOYSA-N	311.381	3.144	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2COC3(CCCCCC3)O2)cc1	776958181	AKMQKNWECPXUEY-GOSISDBHSA-N	318.461	3.308	10	20	DGCD	
CC[C@H]1CCCCN1C(=O)[C@H](C)N[C@H](C)c1ccccc1O	879647703	ITBYCNKAXDQJPK-ILXRZTDVSA-N	304.434	3.222	10	20	DGCD	
C[C@H](NCC(=O)N(C)c1ccccc1)c1ccc(N(C)C)cc1	775835496	ZXGDQJLTMIODPX-HNNXBMFYSA-N	311.429	3.066	10	20	DGCD	
C[C@@H](Cc1ccco1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773193791	YJGXXVQUWNEWQQ-UONOGXRCSA-N	315.417	3.337	10	20	DGCD	
C[C@H](NC(=O)N1CCS[C@@H](C)[C@@H]1C)c1ccc(N(C)C)cc1	773614956	VHKKQDSWSOYRPP-IHRRRGAJSA-N	321.490	3.349	10	20	DGCD	
Cc1cccc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)c1	775650011	WSUWFSCCIVCIPU-UHFFFAOYSA-N	323.484	3.379	10	20	DGCD	
Cc1cc(Cl)cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1	784169875	GONWVPCEIPYWKV-UHFFFAOYSA-N	320.728	3.099	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H](CCO)C(F)(F)F)cc1	886801216	JTQSAMPCJRLTSB-SMDDNHRTSA-N	304.356	3.107	10	20	DGCD	
C[C@H](NCCN1CCc2sccc2C1)c1c(O)cccc1F	886510193	YGQLDLAUEYMGPJ-LBPRGKRZSA-N	320.433	3.302	10	20	DGCD	
Cc1ccc(NC(=O)c2cccc(O)c2O)cc1OC(C)C	787630600	QMQTWCTVENDPKQ-UHFFFAOYSA-N	301.342	3.446	10	20	DGCD	
CO[C@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1	792795306	RVGMWWIBOYTTQQ-AWEZNQCLSA-N	316.367	3.382	10	20	DGCD	
COc1ccc(CN(C)Cc2c(O)ccc(Cl)c2F)cn1	792175721	ZSAFPJYNGRXSNF-UHFFFAOYSA-N	310.756	3.220	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(F)c(F)c2)c(O)c1OC	891602617	RGRZIFQWLXCVNP-UHFFFAOYSA-N	323.339	3.320	10	20	DGCD	
CCOc1ccc(CNCc2cnn(CC3CCC3)c2)c(O)c1	897432429	JMTLZTRBOIPGSN-UHFFFAOYSA-N	315.417	3.077	10	20	DGCD	
Cc1nc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2o1	792034969	HHIXQOZKCOTDPU-UHFFFAOYSA-N	323.396	3.474	10	20	DGCD	
COc1ccc(CNCc2ccc(C[S@](C)=O)cc2)cc1C	796526175	JXSPRUMERNFASE-QFIPXVFZSA-N	317.454	3.172	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc1	1335452193	OVCBRNVJOGOFHF-MJGOQNOKSA-N	323.440	3.479	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](C)c2ccc(F)cc2F)c1O	1339604191	JRWZGOWXVJFMJV-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@@]2(C)CCCC[C@H]2O)cc1F	1331273131	VQRDPKLDDPQBNF-IAGOWNOFSA-N	312.404	3.062	10	20	DGCD	
C[C@@H](N[C@@H](C(=O)O)c1ccsc1)c1ccc(N(C)C)cc1	1609778269	YKHCGBQDGBZDPJ-IAQYHMDHSA-N	304.415	3.291	10	20	DGCD	
CCc1nc(C(=O)NCc2ccc(N(CC)CC)c(F)c2)co1	157860069	TWYWXPASUPQNTB-UHFFFAOYSA-N	319.380	3.152	10	20	DGCD	
COc1ccc(CNCc2ccc(Br)o2)c(O)c1	189505884	JAEHFFUGBQSENI-UHFFFAOYSA-N	312.163	3.046	10	20	DGCD	
COc1ccc(CN[C@@H](C)CCNC(=O)OC(C)(C)C)cc1C	793602630	ZPAWWGRAPBKXCK-AWEZNQCLSA-N	322.449	3.397	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O	170789510	ACJQWNXEHUPMRA-MNOVXSKESA-N	320.330	3.066	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C[C@H](C)C3CC3)CC2)cc1	68017692	CEFYMWMRTUPXIM-HNNXBMFYSA-N	316.445	3.170	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@@H](C)c1ccc2ccccc2c1O	186354116	GQZNHSFGPPCDMZ-ZDUSSCGKSA-N	314.429	3.358	10	20	DGCD	
CCN(CC)[C@@H](CNCc1cc(F)ccc1O)c1ccco1	180542102	YRVHKICMUIEWKS-HNNXBMFYSA-N	306.381	3.297	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCC2(C)COC2)c1O	187199522	GLKGAFUXOGIQBX-SNVBAGLBSA-N	314.223	3.150	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(OC)c1O	184714738	URWJUNXSLMVQPC-HIFRSBDPSA-N	321.417	3.002	10	20	DGCD	
C[C@@H](NCc1ccc([S@](C)=O)cc1)c1cc(F)ccc1O	186095331	IBPJDTUOGOCYCO-FIKIJFGZSA-N	307.390	3.120	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CCCc3cn[nH]c32)c(O)c1	268867154	UHERJHNHZCACBK-OAHLLOKOSA-N	301.390	3.071	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](C2CC2)C1	362397845	URGYHSJGCAAANN-KRWDZBQOSA-N	311.429	3.004	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCC2(CCO2)CC1	367070173	ARLQIAQZPGYZJB-UHFFFAOYSA-N	300.446	3.432	10	20	DGCD	
C[C@H](C(=O)O)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1	277114127	AMEQYAAGHVEIRD-UGSOOPFHSA-N	311.381	3.173	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCSC1	283561613	GFBZNDFNVBYQKA-CQSZACIVSA-N	308.447	3.209	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](O)CC1	802262476	RRTCZYRWJLVSCE-WKILWMFISA-N	320.433	3.007	10	20	DGCD	
CC(=O)C(=O)COC(=O)c1sc2cc(F)ccc2c1Cl	808487121	BDVZNHCJCXJYFT-UHFFFAOYSA-N	314.721	3.009	10	20	DGCD	
OC[C@]1(CNCc2cccc(Cl)c2O)C[C@@H]1c1ccccc1	291692041	YFFMVJNLVLWSHH-CRAIPNDOSA-N	317.816	3.301	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H](Cc2ccccc2)C2CC2)cc1	817941900	LRISUMWKTLYADD-NHCUHLMSSA-N	323.484	3.363	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ncccc1F	824262447	YCQBXHSTGOFNEL-UHFFFAOYSA-N	313.376	3.141	10	20	DGCD	
CCN(Cc1nccn1CC(F)(F)F)c1ccc(OC)cc1	728570080	VWAGLSUAQULEIC-UHFFFAOYSA-N	313.323	3.481	10	20	DGCD	
Cc1cc(CN[C@@H](CO)C(C)(C)C)ccc1N1CCCCC1	829244007	NVSRBBULORRHHN-SFHVURJKSA-N	304.478	3.482	10	20	DGCD	
CCOc1ccc(N(CC)C(=O)/C=C(/C)c2cnccn2)cc1	824815774	ZDCMERZFXHETBV-OWBHPGMISA-N	311.385	3.332	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\C1CCOCC1	732655831	CLAQDVPUSYQZFH-YFHOEESVSA-N	316.445	3.084	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1	838559785	QEGVYGRJTDYZOM-QIJZBDPFSA-N	301.434	3.301	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)C1CC(C)(C)C1	838477659	GFUSJMHUZXRDKV-UHFFFAOYSA-N	303.450	3.391	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1	836237111	WILXXKWPNUWSQE-MSOLQXFVSA-N	313.445	3.083	10	20	DGCD	
O=C(O)c1cc2ccccc2c(CN(CC(F)F)C2CC2)c1O	740098600	RDRBQRXUUZBJSZ-UHFFFAOYSA-N	321.323	3.473	10	20	DGCD	
CC[C@@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	745839292	WLPZWRCDENILFE-NVXWUHKLSA-N	313.445	3.393	10	20	DGCD	
Nc1ccc(CCNC(=O)NCC2(Cc3ccccc3)CC2)cc1	841862871	HDGXEROKGXSDQO-UHFFFAOYSA-N	323.440	3.133	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccccc1N(C)C	746496227	FDJICALEDODSNR-UHFFFAOYSA-N	311.429	3.218	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CCCN(C2CCC2)C1	841296490	TYOCZXLGGGSNRC-ZIAGYGMSSA-N	316.449	3.043	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c(O)c1	841590470	OTJUAUJXYRMVAW-CABCVRRESA-N	320.433	3.415	10	20	DGCD	
CCCCNc1ccccc1C(=O)NCc1ccc(O)c(O)c1	847590753	GMTGSNOPKHIQGA-UHFFFAOYSA-N	314.385	3.240	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@H]1NCCc2ccccc21	841069287	RXIAQOXHUUEYNW-OAHLLOKOSA-N	320.795	3.161	10	20	DGCD	
C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	918059251	NSYNTZCWCJSUQF-CYBMUJFWSA-N	301.434	3.225	10	20	DGCD	
COc1ccc2c(c1)[C@H](C(=O)NCc1ccccc1O)CCC2	847590160	VMNJUECTEMAJCA-MRXNPFEDSA-N	311.381	3.137	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@@H](O)c1ccc(F)cc1	840934762	XCGBHNBXCRDVMF-IFXJQAMLSA-N	316.420	3.412	10	20	DGCD	
CCC/C(C)=C\C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	920286524	ZLSWGAYERWPWLK-PEZBUJJGSA-N	316.445	3.228	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnn(C2CCCC2)c1	928793178	KNRQPEXHBWRDAN-SOFGYWHQSA-N	313.357	3.061	10	20	DGCD	
CC[C@H]1CCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1	850565915	JQHSYDRHADMLKN-QFBILLFUSA-N	302.462	3.316	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C1CCCC1	850561055	HNZOKGAMBSUWAN-MEDUHNTESA-N	308.378	3.156	10	20	DGCD	
C[C@H](N[C@@H](CCN(C)C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1O	756592788	VLQDOAIAPVBUAT-LRDDRELGSA-N	323.437	3.317	10	20	DGCD	
Oc1cccc(Cl)c1CNc1ccn(-c2ncccc2F)n1	758634203	SRGIXNBBINELHO-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccc2ccccc2c1O	756383696	ZYJUHGNYUNYLAR-ACJLOTCBSA-N	320.392	3.423	10	20	DGCD	
CN(Cc1ccc(O)cc1)Cc1cc(F)c(N(C)C)cc1F	862367278	BRRKFBULWKTAMW-UHFFFAOYSA-N	306.356	3.368	10	20	DGCD	
CC[C@](C)(NC(=O)N(C)Cc1ccccc1O)C(F)(F)F	933536972	HPGIATBEWKIXCL-ZDUSSCGKSA-N	304.312	3.265	10	20	DGCD	
Cc1cc(O)c(CN2CCC(N(C)CC(F)F)CC2)cc1C	769507966	AWGWKOXFDBUQCP-UHFFFAOYSA-N	312.404	3.170	10	20	DGCD	
C[C@H](N[C@H](C)C(=O)N1CCCCCC1)c1ccc(N(C)C)cc1	774486738	XMDRHKHZNRUSFV-JKSUJKDBSA-N	317.477	3.194	10	20	DGCD	
C[C@H](N[C@H]1CC[C@H](CN)CC1)c1cc2c(cc1O)CCCC2	873239803	CXXOKEXCFHYNRS-ZQIUZPCESA-N	302.462	3.439	10	20	DGCD	
Oc1ccc(F)cc1CNCCc1c[nH]c2cc(F)ccc12	779065013	MMIJVHFBALWSNR-UHFFFAOYSA-N	302.324	3.484	10	20	DGCD	
Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(O)c2O)cc1C	776278663	DAQHKMMQRZGUFD-LBPRGKRZSA-N	314.337	3.143	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(N2CCCC2)cc1	779494767	ZKFMQYPWXSXECC-ONNFQVAWSA-N	324.380	3.350	10	20	DGCD	
Cc1cccc(CN2CC[C@]3(CC(=O)c4ccccc4O3)C2)c1O	877589937	UEHMUSXCDJLBCH-FQEVSTJZSA-N	323.392	3.311	10	20	DGCD	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccccc1O	775969630	YMONDFKVLIQLKS-KBPBESRZSA-N	320.433	3.222	10	20	DGCD	
Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)c(O)c1O	771505906	QGELWVSNXRFZAQ-UHFFFAOYSA-N	311.696	3.157	10	20	DGCD	
C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	776474965	JZALLIBCZKQDHF-BFYDXBDKSA-N	317.429	3.336	10	20	DGCD	
COc1cc(CNc2cc(CO)ccn2)c(O)c(C(C)(C)C)c1	883147720	FQRGAQYRLUXNPW-UHFFFAOYSA-N	316.401	3.198	10	20	DGCD	
CC[C@@H](N[C@@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1	886799029	LPANPTQWMGCNQD-KGLIPLIRSA-N	304.356	3.107	10	20	DGCD	
CN(C)Cc1cccc(CNCc2cc(F)cc(F)c2O)c1	882884180	ZFJOFANCCLFLBI-UHFFFAOYSA-N	306.356	3.022	10	20	DGCD	
OC1CCN(c2ccc(CNc3cccc(F)c3)cc2)CC1	76275483	XQCIMYAOXBMCBO-UHFFFAOYSA-N	300.377	3.399	10	20	DGCD	
CN(CCNCc1c(O)cccc1Cl)Cc1ccccc1	386794075	AOBIFIRFVMVBIE-UHFFFAOYSA-N	304.821	3.267	10	20	DGCD	
COC(=O)N1CCC(CN[C@@H](C)c2ccc(C)c(C)c2O)CC1	797090170	JDVSQUDXQDBWFE-AWEZNQCLSA-N	320.433	3.138	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cc(C)cc(C)c2)c(O)c1	794762295	RYJDCDBAQJNIOD-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
CNC(=O)C1CCC(N[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)CC1	1320249378	YJCUZDKUWFVNMD-VXGQWTEUSA-N	316.445	3.143	10	20	DGCD	
Oc1cccc2c1C[C@H](NCc1ccc(N3CCCC3)cc1)C2	1321965643	JWLNQGTXPOLOHR-QGZVFWFLSA-N	308.425	3.249	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1C[C@@H](C)N(C2CC2)C1	1320244091	AFIREOXIVSEHCE-NYTXWWLZSA-N	300.446	3.464	10	20	DGCD	
C[C@H](CC(=O)OC(C)(C)C)N[C@H](C)c1cc(F)cc(F)c1O	1325357004	NGSWMWPVZHEFOO-NXEZZACHSA-N	315.360	3.441	10	20	DGCD	
O=C(O)c1cnc(Sc2cccc(Br)n2)s1	1602535277	ZPZWMHRSRIGIRT-UHFFFAOYSA-N	317.189	3.150	10	20	DGCD	
O=C(O)CC1CCC(NCc2ccc(N3CCCC3)cc2)CC1	1601948311	IWOWNHHKEULOHZ-UHFFFAOYSA-N	316.445	3.410	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(=O)O)ccc2F)c(OC)c1	1610339112	OOQIUMFZDYEXCB-UHFFFAOYSA-N	319.332	3.178	10	20	DGCD	
COc1cccc(N(CC(C)C)C(=O)/C=C\[C@H]2CCCNC2)c1	1579280249	GCKOFQFZACRRSJ-ZBTGYSDGSA-N	316.445	3.240	10	20	DGCD	
CN(C(=O)Cc1ccc(OC(F)F)cc1)c1ccc(N)cc1	1578378388	WBGKZNJROASPCJ-UHFFFAOYSA-N	306.312	3.076	10	20	DGCD	
C[C@H](Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1	1589983310	VWNBDVVZKFFEBH-LBPRGKRZSA-N	308.389	3.106	10	20	DGCD	
CC1(C)C[C@H](NCc2cccc(Br)c2O)CCO1	160515818	AMNLFGXXRQLOJI-LLVKDONJSA-N	314.223	3.202	10	20	DGCD	
Cc1ocnc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	157892128	OOXMTFPCEXZCRS-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
CCOC(CCCNCc1c(O)cccc1Cl)OCC	113314477	SAWWTOVBNBIZDN-UHFFFAOYSA-N	301.814	3.315	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)nc2)cc1F	58514939	LESUZXBDWUPGRH-UHFFFAOYSA-N	322.771	3.262	10	20	DGCD	
C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(N(C)C)cc1	27351037	JEBRWNFYOGYAFM-ZDUSSCGKSA-N	317.458	3.245	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(F)cn1	187961984	WZKHCNCLAWTHRT-UHFFFAOYSA-N	314.364	3.143	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc([S@@](C)=O)cc2)c1	186094633	ZMQJCNWMFPZOPS-LRTDBIEQSA-N	303.427	3.289	10	20	DGCD	
C[C@@H]1CCC[C@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21	186833495	IJWFERDTKIXRBR-KGLIPLIRSA-N	302.418	3.304	10	20	DGCD	
Cc1ccc([C@@H](C)NCCNC(=O)CC2CCCCC2)c(O)c1	186033210	ULQCDTKAOUTWJA-OAHLLOKOSA-N	318.461	3.438	10	20	DGCD	
CN(C)c1ccc(CNc2cccc(N3CCCC3=O)c2)cc1	79121671	VPEAUYOESZIZCG-UHFFFAOYSA-N	309.413	3.492	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1	180766104	FFESWHLGOBAHRX-DYVFJYSZSA-N	320.864	3.494	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CNc2ccccc21	325298918	VAXOHPSTPRNANC-GOSISDBHSA-N	323.440	3.310	10	20	DGCD	
COc1cc(CN[C@@H](C)c2ccccc2O)cc(OC)c1OC	192936416	ZEWJPXGERDJLBZ-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
CCSc1cc(CNCc2cc(OC)ccc2O)ccn1	190196192	YWMITSGJMALBCM-UHFFFAOYSA-N	304.415	3.198	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1(CC)CC	236866977	NMHLFMAKSYVNIQ-IAGOWNOFSA-N	318.461	3.254	10	20	DGCD	
CCOC(=O)CN(CC)Cc1ccc(N2CCCCC2)cc1	92399441	WZKQNPRCQSPFTH-UHFFFAOYSA-N	304.434	3.062	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)c1	245835883	WAGXHPRILDPDDM-ZOBORPQBSA-N	318.417	3.197	10	20	DGCD	
CCC(=O)N1CC[C@@H](N[C@H](CC)c2cccc(Cl)c2O)C1	287771616	RNLWAGYBGULVSC-BXUZGUMPSA-N	310.825	3.097	10	20	DGCD	
CC(C)S(=O)(=O)CCN[C@@H](C)c1ccc2ccccc2c1O	290192157	FZOBUVLYGFIJMM-ZDUSSCGKSA-N	321.442	3.019	10	20	DGCD	
C[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])[C@H](C)[C@@H]1C	399580813	HQZRKJYFTRWZTA-QTRIJFBHSA-N	304.346	3.173	10	20	DGCD	
CCOc1cccc(CN2CC3(CCOCC3)[C@H]2C2CC2)c1O	293515008	ANDNJVWPGDDUGR-GOSISDBHSA-N	317.429	3.182	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@H](O)C(F)(F)F)cc1F	809750552	AAEMGZQFFNHYGV-AWEZNQCLSA-N	322.346	3.027	10	20	DGCD	
CCCc1nc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)o1	292785703	UZOROIVMTXUKAL-UHFFFAOYSA-N	319.380	3.071	10	20	DGCD	
COC(=O)COc1ccc(N(C)CCSC(C)(C)C)cc1	801938659	KRBOOGGXHBLUHU-UHFFFAOYSA-N	311.447	3.206	10	20	DGCD	
Cc1c(CNC(=O)NCc2cccc(O)c2)n(C)c2ccccc12	471687963	ZGBLNTNZJXZGGZ-UHFFFAOYSA-N	323.396	3.192	10	20	DGCD	
CCCN1CCC[C@H]1CNCc1cc(Cl)c(F)cc1O	816609602	HCHXACCOEREWBS-LBPRGKRZSA-N	300.805	3.149	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3CCC[C@@H](OC)C3)C2)cc1	818222432	SQAJBBSEQZVDHL-JTDSTZFVSA-N	318.461	3.069	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)c(F)cc2O)cc1O	816544220	BGZDXOABZGYGMR-UHFFFAOYSA-N	311.740	3.189	10	20	DGCD	
CC(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)=C1CCC1	825421053	DLTATTCKAXKUSD-OAHLLOKOSA-N	314.429	3.201	10	20	DGCD	
O=C(CNCc1cc(-c2ccccc2)ccc1O)NC1CCCC1	732230488	IBMJEXSIWMOHHT-UHFFFAOYSA-N	324.424	3.208	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN1C)c1ccc(N2CCCCC2)c(F)c1	903323379	LPVLHZUPVKRZFV-ZBFHGGJFSA-N	305.441	3.171	10	20	DGCD	
C[C@H](NCc1ccc(CCO)cc1)c1cc(F)cc(F)c1O	903403480	RALOKULOEJHCQQ-NSHDSACASA-N	307.340	3.056	10	20	DGCD	
C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1cccs1	588406661	WUFUYOHHJLUMAK-SMYYYNMVSA-N	317.410	3.168	10	20	DGCD	
CCC(C)(C)OCC(=O)NCc1c(O)ccc2c1CCCC2	837480015	FFZGSDCEEHVWMK-UHFFFAOYSA-N	305.418	3.092	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1	830544430	PVBWOGHDVHCUJO-HUUCEWRRSA-N	303.402	3.233	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC[C@H]2CCCC[C@@H]2C)c1	734067054	GGEJIVQOSKRNOJ-UONOGXRCSA-N	320.433	3.416	10	20	DGCD	
CC[C@@H]1C[C@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	838665556	OVISQCBGAYWFEN-CVEARBPZSA-N	315.461	3.473	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC1CCC(F)(F)CC1	837587212	JCBBOJOIJGQYPS-RQOWECAXSA-N	312.312	3.480	10	20	DGCD	
CCN(CC(=O)Nc1cccc(F)c1)c1ccc(OC)cc1	746109733	VAWWIEQNYOKVHU-UHFFFAOYSA-N	302.349	3.299	10	20	DGCD	
Cn1cccc1CNC(=S)Nc1ccc(OC(F)F)cc1	743061616	MLPWTUGFFTUKHD-UHFFFAOYSA-N	311.357	3.113	10	20	DGCD	
COc1cc(O)c(CN2CCSC[C@H]2C2CCC2)cc1OC	841893044	CQJQNLJHGREZHM-AWEZNQCLSA-N	323.458	3.127	10	20	DGCD	
CCc1cnc(CN(C)CCN(C)c2ccc(OC)cc2)s1	846052355	PNNBEPMYNJPCSZ-UHFFFAOYSA-N	319.474	3.282	10	20	DGCD	
COC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1	749948191	IPJAZVSARQYXTP-SFHVURJKSA-N	312.413	3.249	10	20	DGCD	
COc1cccnc1CNC(=S)Nc1cccc(C)c1C	840825677	JAJDWLLHGXTHQG-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
COc1ccc(OCCN[C@H](C)c2cccc(OC)c2O)cc1	846136071	IAVINGDGYYFVAH-CYBMUJFWSA-N	317.385	3.139	10	20	DGCD	
Cc1ccc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)s1	841729218	DZWFVMVKNRBJOD-GFCCVEGCSA-N	303.431	3.242	10	20	DGCD	
C[C@H]1C[C@H](N[C@H]2c3ccccc3C[C@@H]2O)c2c(O)ccc(F)c21	848566326	VBKBWIPSKXSEFO-IJAQBYFRSA-N	313.372	3.328	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(Cn2cncn2)cc1	840926155	MKRYXLRQWAHNJK-UHFFFAOYSA-N	321.428	3.313	10	20	DGCD	
C[C@H]1C[C@H](CN(Cc2ccc(N(C)C)cc2)C2CC2)CCN1	841004172	BNODEOJMHACPAJ-DOTOQJQBSA-N	301.478	3.105	10	20	DGCD	
CC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@@H](C)CO1	844734872	ZYWGZEJXQRMJJA-WFASDCNBSA-N	307.434	3.395	10	20	DGCD	
C[C@H](NC[C@@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O	840879642	FRBMBTHYJPWVFS-AAEUAGOBSA-N	307.340	3.097	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1coc2c1C(=O)CCC2	846477495	RKTNBMNURGSNJJ-UHFFFAOYSA-N	319.744	3.088	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2COc3cc(F)ccc3C2)c(O)c1	850536771	JSUZMWGKBJRRGH-SWLSCSKDSA-N	301.361	3.494	10	20	DGCD	
CS/C=C\C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	764243954	YTFXGVIPANEFLW-HJWRWDBZSA-N	323.373	3.277	10	20	DGCD	
Cc1cc(=NC(=O)N(C)Cc2ccccc2O)c2ccccc2[nH]1	769210917	PBIZWKLFQWBBBZ-UHFFFAOYSA-N	321.380	3.335	10	20	DGCD	
C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@H](C2CC2)O1	862352109	ZFGVUZYHTNJTKQ-DIFFPNOSSA-N	310.388	3.030	10	20	DGCD	
COc1ccccc1C/C(C)=C\C(=O)NCc1ccccc1O	762808050	LUXJJQQFKALZGQ-OWBHPGMISA-N	311.381	3.206	10	20	DGCD	
Cn1nccc1CCNCc1cc(-c2ccccc2)ccc1O	762556753	QNZOTMZNUVEHSM-UHFFFAOYSA-N	307.397	3.125	10	20	DGCD	
C[C@H](CNCc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C	771854067	PYJBHFOYBKNOBC-MRXNPFEDSA-N	303.494	3.210	10	20	DGCD	
CCN(Cc1cccc(C)c1O)C[C@H]1COc2ccccc2O1	775642594	MJPLFNJPYNMJCS-INIZCTEOSA-N	313.397	3.363	10	20	DGCD	
COC(=O)CC1(NCc2ccc(N3CCCCC3)cc2)CCC1	777440657	INOFWJIADFUHNC-UHFFFAOYSA-N	316.445	3.252	10	20	DGCD	
C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1c(O)cccc1F	886574029	KSNKKPDRBRGGIF-LLVKDONJSA-N	323.389	3.249	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)[nH]1	1123495991	PEUCVIGRCUYWRQ-UHFFFAOYSA-N	303.793	3.198	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC2(CCOCC2)CC1	789530709	NBHFOIOBGBLDHA-UHFFFAOYSA-N	312.413	3.333	10	20	DGCD	
Cc1c(CN[C@H](C)c2cccc(C(F)(F)F)c2O)cnn1C	798182029	PVHIYKJTRSGVCQ-SECBINFHSA-N	313.323	3.304	10	20	DGCD	
CCCCOCCNCc1c(O)cccc1Br	706875119	NUSUJFOFBMEDLT-UHFFFAOYSA-N	302.212	3.061	10	20	DGCD	
Cc1ccc(NC(=S)NNc2cccc(F)c2[N+](=O)[O-])cc1	790610202	XKOCCQOVXXPTBM-UHFFFAOYSA-N	320.349	3.356	10	20	DGCD	
CC(C)[C@@H](O)C1(CNCc2c(O)ccc(Cl)c2F)CC1	790991413	WWIMKTYGLHFUFS-CQSZACIVSA-N	301.789	3.071	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCC[C@@H](c3ccnn3C)C2)cc1	790482736	CFLWSXHJUBNEDZ-SJORKVTESA-N	312.461	3.302	10	20	DGCD	
Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(N2CCCC2)cc1	794797885	QUPZEFOCRINMGT-SFHVURJKSA-N	310.445	3.188	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC[C@H]2CNC[C@@H]2C1	1329036526	MXPBULWWQCUDOJ-CWVYHPPDSA-N	300.446	3.227	10	20	DGCD	
CN(C)c1ccc(NCc2cc(F)c(N(C)C)cc2F)nc1	1351506165	BFMXOBVREPTGFC-UHFFFAOYSA-N	306.360	3.104	10	20	DGCD	
CC[C@@H](CC(F)(F)F)N[C@H](C)c1cc(C(=O)O)ccc1O	1604983744	MVZUOTGZAKAFKF-SCZZXKLOSA-N	305.296	3.472	10	20	DGCD	
CCN1CCCc2cc(CN[C@@]3(C(=O)O)CCC[C@@H]3C)ccc21	1776876040	NVPCLCALWAXZKS-LIRRHRJNSA-N	316.445	3.192	10	20	DGCD	
CSc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1	15135129	FCISMWNESAWEMQ-UHFFFAOYSA-N	300.427	3.405	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1C	158006070	OBEOGCUBYCVCNB-APWZRJJASA-N	314.473	3.458	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN([C@H](C)C(F)(F)F)CC2)c1	164457210	BTZBEUVSTLVARJ-CYBMUJFWSA-N	316.367	3.077	10	20	DGCD	
Cc1nnc(CN(C)Cc2ccc(N3CCCCC3)cc2)o1	52917294	YFFZAJBAMXVAFY-UHFFFAOYSA-N	300.406	3.000	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccco1	54276123	LQGBIEYYKGPEIM-UHFFFAOYSA-N	300.402	3.327	10	20	DGCD	
CN(C)c1ccc(CNc2nnc(C(F)(F)F)s2)cc1	121587596	VLLVVZXSPBJBCI-UHFFFAOYSA-N	302.325	3.235	10	20	DGCD	
O=C(c1cscn1)N(Cc1ccco1)Cc1ccccc1O	173674364	QLKBJEBABPELBU-UHFFFAOYSA-N	314.366	3.284	10	20	DGCD	
CC[C@H](O)CN(Cc1ccccc1)Cc1cc(OC)ccc1O	305789651	SZIKYBFHKSAQKE-KRWDZBQOSA-N	315.413	3.174	10	20	DGCD	
COCCOc1ccc(NCc2cccc(OC)c2O)cc1	122466890	MXLDWPOFIXMSAB-UHFFFAOYSA-N	303.358	3.038	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCSC1)c1ccc2ccccc2c1O	185638802	ZVLJLEAKPVHWOJ-SJKOYZFVSA-N	303.427	3.064	10	20	DGCD	
CC[C@@H](NC1CCOCC1)c1cc(Br)ccc1O	36319475	NHFHCZUXUDVZMT-CYBMUJFWSA-N	314.223	3.374	10	20	DGCD	
CCN1CCN(c2cccc(NC(=O)c3ccccc3C)c2)CC1	184276743	SGUJRQZEWMPAQT-UHFFFAOYSA-N	323.440	3.389	10	20	DGCD	
CCc1ccc(CNC(=O)N(C)Cc2ccccc2O)s1	46945618	RVMJGNKOXSHMCX-UHFFFAOYSA-N	304.415	3.358	10	20	DGCD	
CC(C)CC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCC1	183432271	XYEHCQPAIUGCKA-ZDUSSCGKSA-N	305.418	3.361	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccc(C)o3)CC2)cc1F	91923182	AADUBOIFHQSEKS-UHFFFAOYSA-N	304.365	3.058	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCOC2CCOCC2)cc1	90083872	ICVMBHWEWFHFIR-MRXNPFEDSA-N	320.477	3.379	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1n[nH]c2ccccc12	268642877	PGPQDWOWTYHPPU-UHFFFAOYSA-N	323.396	3.250	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC(CCCO)CC2)c1O	273718838	HVQXTUQARUBJBM-UHFFFAOYSA-N	313.825	3.039	10	20	DGCD	
Cc1cccc(CN(C)CCc2cccc([N+](=O)[O-])c2)c1O	802658388	YFXJDABEMDPHKB-UHFFFAOYSA-N	300.358	3.283	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2csc(C(C)=O)c2)c1	815835308	PEEPIVURLMETRD-SECBINFHSA-N	319.382	3.156	10	20	DGCD	
CCOc1cccc(CN2CCC[C@](CO)(C(C)C)C2)c1O	816662466	PZEAIUNOAXCEEF-SFHVURJKSA-N	307.434	3.021	10	20	DGCD	
C[C@H](NCC[C@H]1CCNC1)c1ccc(N2CCCCC2)c(F)c1	817954824	KVEJTMZFZXCNLH-JKSUJKDBSA-N	319.468	3.466	10	20	DGCD	
O=C1CN(Cc2ccccc2O)C(=O)N1CCC1=CCCCC1	819166042	KOAUGPVEAWQIAL-UHFFFAOYSA-N	314.385	3.047	10	20	DGCD	
O[C@H](CNCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1	819096151	XQNVINQPJKXVQZ-LJQANCHMSA-N	312.388	3.025	10	20	DGCD	
CC[C@H](NC[C@@H](COC)OC)c1ccc(C(F)(F)F)cc1O	810236101	YLQUPXZTWQQQKS-AAEUAGOBSA-N	321.339	3.113	10	20	DGCD	
CN(CCOc1ccc(N(C)C)cc1)Cc1ccc(F)cc1	810002496	YVUDTLMNTIGZRM-UHFFFAOYSA-N	302.393	3.403	10	20	DGCD	
C[C@H](NCC1(N)CCC1)c1ccc(N2CCCCC2)c(F)c1	817964593	FNHQOAHHWDGMKF-AWEZNQCLSA-N	305.441	3.348	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@H]2CC[C@H]1C2	726267512	MMUASJLLKQVXRI-YESZJQIVSA-N	315.461	3.330	10	20	DGCD	
CC1(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CCCC1	817922237	BVYBUJGECBWEQE-UHFFFAOYSA-N	315.442	3.379	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ncccc2F)cc1F	826942118	MNXNCLXGUWKDEG-UHFFFAOYSA-N	319.355	3.136	10	20	DGCD	
C[C@H](N[C@@H](c1ccccn1)C1CC1)c1cc([N+](=O)[O-])ccc1O	903335330	NYXABBBKVLYHFJ-APPDUMDISA-N	313.357	3.497	10	20	DGCD	
COc1ccc(O)c(CNCC[C@@]2(C)CC2(Cl)Cl)c1	824971499	SAATZYXTMSCVBG-ZDUSSCGKSA-N	304.217	3.464	10	20	DGCD	
O=C(NCc1coc(-c2cccs2)n1)c1cc(O)cs1	732263579	RSTYLOTXYDEPGE-UHFFFAOYSA-N	306.368	3.100	10	20	DGCD	
Cc1ccccc1OCCCN(C)C(=O)c1cc(O)cs1	732274338	GAHPCWPLDRSKMU-UHFFFAOYSA-N	305.399	3.303	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(C)c3c2CCC3)c(O)c1	831033446	VARJUTDJIKTELO-UHFFFAOYSA-N	311.381	3.128	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2ccn(C)n2)cc1	838246888	GJJUBQMQKIHAKU-OAHLLOKOSA-N	322.412	3.319	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc(C(=O)O)cc1F	833695567	RRNNDTUBVUCVAC-UHFFFAOYSA-N	316.376	3.222	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2c[nH]c3ncccc23)cc1	919846080	HBVLAGSRGRXSCL-UHFFFAOYSA-N	322.412	3.339	10	20	DGCD	
C[C@@H](CC1CCCC1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832274834	ZOZGNRBBRNMRFH-KSSFIOAISA-N	317.477	3.085	10	20	DGCD	
CC[C@H]1C[C@@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C	745788823	ROYLHFLTOCMWDD-PBHICJAKSA-N	315.461	3.399	10	20	DGCD	
C[C@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1	745771179	HWVZNCRKAGHZID-GFCCVEGCSA-N	302.418	3.116	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2C)SC1=S	840713642	TZKPYDKJMZHXIT-LCYFTJDESA-N	306.456	3.282	10	20	DGCD	
CCN(CCCNC(=O)c1cc(O)cs1)C1CCCCC1	846657907	HULZJTUFWPVJEN-UHFFFAOYSA-N	310.463	3.228	10	20	DGCD	
C[C@@H](c1ccccc1)N(CCc1cnn[nH]1)Cc1ccccc1O	851880369	XDZAWJJEOPYVTB-HNNXBMFYSA-N	322.412	3.316	10	20	DGCD	
CC(C)c1nc(Sc2ncc(Cl)s2)nc(N(C)C)n1	853964022	FZYZNWSAZKBKIH-UHFFFAOYSA-N	315.855	3.322	10	20	DGCD	
COc1ccccc1[C@@H](C)N(OC)C(=O)c1cc(O)cs1	855130604	KYRANEWBCWCLHD-SNVBAGLBSA-N	307.371	3.227	10	20	DGCD	
Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2O)c1	867834463	OYQFGZQPHIRIAU-CYBMUJFWSA-N	305.399	3.049	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(CCN[C@H](C)c2ccc(N(C)C)cc2)C1	764949798	NCRPNDZVCFRONX-BRWVUGGUSA-N	303.494	3.381	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCc2csc(C)n2)c1	862758003	LKJYAABNLXCNRJ-UHFFFAOYSA-N	304.415	3.105	10	20	DGCD	
COc1ccc(N(CCCc2nc(C)no2)C(C)C)cc1F	763521192	PSLKNTHBORRJBG-UHFFFAOYSA-N	307.369	3.373	10	20	DGCD	
CCN(Cc1cc(C)ccc1O)[C@@H]1CCN(c2ccccc2)C1=O	769404230	PUVMPZYIWNJMTQ-GOSISDBHSA-N	324.424	3.328	10	20	DGCD	
OC1CCN(c2ccc(CN3CC[C@@H]4CCCC[C@@H]43)cc2)CC1	877603128	FWXLCBJAUJKFFK-PXNSSMCTSA-N	314.473	3.412	10	20	DGCD	
CC1(C)CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1	779540705	CNGAXINXBNPDQP-GQCTYLIASA-N	303.402	3.444	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1O	875392507	BGIGKOSOWPHCRQ-ZIAGYGMSSA-N	318.417	3.244	10	20	DGCD	
C[C@H](NC(=O)NCCOC1CCCC1)c1ccc(N(C)C)cc1	773276589	LQNHBTOBDCRQCR-AWEZNQCLSA-N	319.449	3.072	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)c(O)c1O	770476500	MYJLYZOLPNONKO-UHFFFAOYSA-N	320.776	3.378	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@H]1CN1CCCC1	775665089	XJOAQZHFJHABBE-AWEZNQCLSA-N	312.816	3.245	10	20	DGCD	
CCOCc1cc(CNC[C@@H]2CCO[C@H](C)C2)ccc1OC	770738321	HBJWYSYFFCXQCU-GDBMZVCRSA-N	307.434	3.136	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cccc(C(F)F)c1	780401767	KIXIKEDDYPKHCN-UHFFFAOYSA-N	317.288	3.270	10	20	DGCD	
Cc1cc(C)cc(C[C@H](C)NC(=O)c2c(F)ccc(O)c2O)c1	789986971	NYDCVTXBBQFWKF-LBPRGKRZSA-N	317.360	3.215	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1cnn(C2CCC2)c1	899341593	DWQMFSWHCMXIJW-ZROIWOOFSA-N	316.430	3.064	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@H]1CCN(Cc2ccccc2)C1	192922965	XOGVJDVRIZOQAW-MRXNPFEDSA-N	314.404	3.143	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@@H]1CCN1Cc1ccccc1	716235281	BGEJHPKMUCADCY-HNNXBMFYSA-N	316.832	3.410	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CO)CC2CCC2)cc1F	793320382	CMLYAXHVXLRABU-MRXNPFEDSA-N	308.441	3.313	10	20	DGCD	
CN1c2ccccc2C(=O)N[C@@H]1c1ccc(N2CCCC2)cc1	1317944941	XUELOLWARTYUDA-SFHVURJKSA-N	307.397	3.165	10	20	DGCD	
C[C@@H](CCC[C@@H](C)C(=O)O)NCc1cc(F)cc(F)c1O	1262162402	NLWVCJYBLGIZFS-ZJUUUORDSA-N	301.333	3.040	10	20	DGCD	
Cc1ccccc1[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1262603934	ZVYOCNGLFHUQFJ-INIZCTEOSA-N	309.413	3.276	10	20	DGCD	
COc1ccc(N(C)Cc2ncc(C(=O)O)s2)cc1Cl	1607268567	SUPQINVOSWBFLK-UHFFFAOYSA-N	312.778	3.140	10	20	DGCD	
COc1ccc2c(c1)CCCN2[C@H](C)c1ncc(C(=O)O)s1	1607294988	JAAKODPBGHUMAH-SNVBAGLBSA-N	318.398	3.364	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1600808649	WTFRGMPSDHZFEH-RKDXNWHRSA-N	304.346	3.107	10	20	DGCD	
Cc1ccc(N)c2c1N(C(=O)/C=C\c1cncc(F)c1)CCC2	1579708958	LMKNXJCRVDTNRY-ALCCZGGFSA-N	311.360	3.104	10	20	DGCD	
Nc1ccc(NC(=O)N2CCc3cc(F)cc(F)c3C2)cc1	1580449168	FLGXLKAUMVWXSD-UHFFFAOYSA-N	303.312	3.137	10	20	DGCD	
C[C@@H](NCc1cc(C(=O)O)c2n1CCCC2)c1ccccc1O	1599841596	UWUQMCVKYGGERW-GFCCVEGCSA-N	314.385	3.079	10	20	DGCD	
C[C@@H](NCCc1ccccc1F)c1cc(C(=O)O)ccc1O	1593273702	GDRJMHAZSNYMTB-LLVKDONJSA-N	303.333	3.123	10	20	DGCD	
CN(C)c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1F	153647250	NYKVHXBIXGPWOU-UHFFFAOYSA-N	324.743	3.460	10	20	DGCD	
COc1ccc(CNCc2cc(C)ccc2O)c(OC)c1OC	113324267	ALDSBPMJQOXARW-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cnn(C)c2)cc1F	119688322	CFDPNGZPZNSCDG-UHFFFAOYSA-N	304.413	3.037	10	20	DGCD	
COc1cccc(CNC(=O)Cc2c(F)cccc2Cl)c1O	68488656	KLEJTZBWAJIYPV-UHFFFAOYSA-N	323.751	3.052	10	20	DGCD	
CC[C@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CCO1	30852172	BINRYUNFIRNANS-SFHVURJKSA-N	312.413	3.345	10	20	DGCD	
Cc1ccc(Br)cc1NC(=O)c1cccc(O)c1O	126172995	FGJHRXUIMWJCMC-UHFFFAOYSA-N	322.158	3.421	10	20	DGCD	
O=C(CCCCNCc1ccccc1O)OCc1ccccc1	181028773	LCRJNOYYRXKDDY-UHFFFAOYSA-N	313.397	3.396	10	20	DGCD	
C[C@@H](Nc1ccc(OC2COC2)cc1)c1ccc(F)cc1O	188656201	DSDGLTSFDREAKZ-LLVKDONJSA-N	303.333	3.482	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1	133599563	VGAPUNAKEUDDSS-UONOGXRCSA-N	317.410	3.191	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(Cl)c(C)c2)c1O	133043710	IPVDHOLIMKVABC-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
COc1cccc([C@H](CNCc2ccc(OC)c(C)c2)OC)c1	527738375	ITAAYECCZJRFST-IBGZPJMESA-N	315.413	3.490	10	20	DGCD	
C/C=C(\C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	267544738	BQEZRPPCMXXLOB-NUIMBWKGSA-N	320.408	3.022	10	20	DGCD	
CC[C@@H](C)[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	277181142	FHQTZKWCRSDONH-RHSMWYFYSA-N	304.434	3.266	10	20	DGCD	
Cc1cccc(CNc2cccc(-c3nnc(C)n3C)c2)c1O	360814036	ZBYNCUFNLRKKLW-UHFFFAOYSA-N	308.385	3.417	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCCc3occc32)c1O	278616867	FMAAJQKUCCNTNY-LBPRGKRZSA-N	318.329	3.069	10	20	DGCD	
CNC(=O)c1cccc(CN[C@H](C)c2ccc(C)c(C)c2O)c1	273402633	NPJHZYGISDTXMG-CQSZACIVSA-N	312.413	3.219	10	20	DGCD	
C[C@H](N[C@H](C)c1ncn(C)n1)c1ccc(Cl)c(Cl)c1O	275694689	JTIBDUZDLZTGGK-JGVFFNPUSA-N	315.204	3.239	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1C[C@H](c2ccccc2)C1	373875824	HTDVFBIFSBXYBE-ORPAJBSMSA-N	309.365	3.173	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)c(O)c1	285021604	KAEVDTDHNOWZMU-SJLPKXTDSA-N	305.418	3.324	10	20	DGCD	
CCCOc1ccc(CN(C)C2C[C@@H]3CC[C@H](C2)N3C)c(O)c1	289709708	OXBAWVWIRRZDJT-SJPCQFCGSA-N	318.461	3.238	10	20	DGCD	
CC(C)(C)[C@H](O)CN(Cc1ccco1)Cc1ccccc1O	808735836	CDXKOIYNOOCWPW-QGZVFWFLSA-N	303.402	3.394	10	20	DGCD	
CC(C)C[C@@H](O)CN[C@H](C)c1cccc(C(F)(F)F)c1O	815572255	YLFYJAMSPZONJC-GHMZBOCLSA-N	305.340	3.469	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NC3(C)CCCC3)ccc21	728746762	DKBFHVBYOJXMSL-UHFFFAOYSA-N	301.434	3.201	10	20	DGCD	
CC(C)[C@]1(C)C[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	838767093	WIJBOUGZTHBDQO-AEFFLSMTSA-N	303.450	3.329	10	20	DGCD	
CC(=O)c1cc(F)cc(Cn2cnc3c2C[C@@H](C)[C@@H](C)C3)c1O	830919320	ZLVPASHDTSZCBX-WDEREUQCSA-N	316.376	3.350	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)cc1	902030028	RWXZXVQOKXQKBL-SZMVWBNQSA-N	316.445	3.218	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3nnc(C)o3)c2C)c1	918629887	YTYFGNZXOJFYIG-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
CN1Cc2c(NCc3ccc(N(C)C)c(F)c3)cccc2C1=O	840958747	UMEVLEFHCWBVLR-UHFFFAOYSA-N	313.376	3.089	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cnccc2C(F)(F)F)cc1	846784494	OMHQHTNWCRPZFO-UHFFFAOYSA-N	323.318	3.096	10	20	DGCD	
Cc1nc(NC2CC2)sc1C(=O)N(C)Cc1ccccc1O	748027284	KOQMCMHQOKPVCW-UHFFFAOYSA-N	317.414	3.004	10	20	DGCD	
CSc1ccnc(NCc2ccc(N3CCCC3)cc2)n1	845465399	HZUMXBFSQGDSJW-UHFFFAOYSA-N	300.431	3.411	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1OCCc2sccc21	841299296	IUNDGNQFWVRFSY-BONVTDFDSA-N	317.414	3.154	10	20	DGCD	
C[C@@H]1[C@@H](CO)CCCN1Cc1cc(Cl)cc(Cl)c1O	840978969	QRIZFIGPTGFYMB-NXEZZACHSA-N	304.217	3.292	10	20	DGCD	
COc1cc(F)c(CN(C)Cc2ccccc2O)cc1OC	845905394	HDRVRDVRUBYVML-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(-n3ccnc3)ncn2)cc1	740866290	NDPXIKBAKGBRSY-UHFFFAOYSA-N	322.416	3.121	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1O	926919818	GCACKIPEOJFHFH-CMPLNLGQSA-N	320.330	3.209	10	20	DGCD	
C[C@H](NC[C@H](CO)Cc1ccccc1)c1ccc(F)cc1O	756459569	PKWZZVYINZHPNY-DZGCQCFKSA-N	303.377	3.033	10	20	DGCD	
OC[C@H](NCc1ccc2c(c1)CCCO2)c1c(F)cccc1F	921749920	SCFURSJMMIMVBO-INIZCTEOSA-N	319.351	3.113	10	20	DGCD	
COc1cccc(O)c1CN1CCC(Cc2cccnc2)CC1	757873987	FOGZMFUAINYPMQ-UHFFFAOYSA-N	312.413	3.251	10	20	DGCD	
C[C@H]1C[C@@H](NCCN2CCC[C@@H](C)C2)c2c(O)ccc(F)c21	756414867	JFBOKUICXUDPBP-VNHYZAJKSA-N	306.425	3.401	10	20	DGCD	
O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1cc(O)cs1	855546494	RPCNXILVOCMPNB-AWEZNQCLSA-N	303.383	3.466	10	20	DGCD	
CC(C)(C)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	753588990	HDNVJXCZDXMJQW-QGZVFWFLSA-N	302.462	3.391	10	20	DGCD	
Cc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nc(C)n1	851732583	UKUBKJHHISIBTR-UHFFFAOYSA-N	310.445	3.324	10	20	DGCD	
COCCc1ncc(CN[C@H](C)c2ccc(N(C)C)cc2)s1	865531059	FRQIHWLZVRVVQX-CYBMUJFWSA-N	319.474	3.249	10	20	DGCD	
COc1cccc(O)c1CN(Cc1ccccc1)Cc1cc[nH]n1	769328494	PUZOKULRNAQLPG-UHFFFAOYSA-N	323.396	3.326	10	20	DGCD	
CCC[C@@H]1[C@@H](C)CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768465570	ISCJFYYHZFJIRK-MJEQTWJJSA-N	305.418	3.219	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)c1ccsc1	765750414	GEFBUIARGKFPEY-UHFFFAOYSA-N	312.188	3.146	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@@H](O)CC(C)(C)C2)cc1F	862388012	UFCMLBBNQCPDLB-CYBMUJFWSA-N	312.404	3.014	10	20	DGCD	
COC[C@H](CC(C)C)N[C@@H](C)c1ccc(N2CCOCC2)cc1	765331706	TZGBPCWDUMFFFO-WMZOPIPTSA-N	320.477	3.235	10	20	DGCD	
Cc1ccc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(O)c1	876719278	HKFIBJKCVMEZDP-HNNXBMFYSA-N	318.461	3.075	10	20	DGCD	
Cc1cnc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	773324321	HUJQTYAQLXTJFQ-GFCCVEGCSA-N	318.446	3.078	10	20	DGCD	
Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c(O)c1O	770491116	SPNKQSVFVQWLGH-UHFFFAOYSA-N	317.772	3.479	10	20	DGCD	
C[C@H](NC(=O)c1cccc2nc[nH]c12)c1ccc(N(C)C)cc1	775410115	JTUDRCRFAWCJMX-LBPRGKRZSA-N	308.385	3.120	10	20	DGCD	
COc1cccc(CNc2cc(Br)ccn2)c1O	775464001	FBRUULKEFMVBPZ-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCc1ccc(C2OCCO2)cc1	882996601	YMRVFTBCORBAPP-UHFFFAOYSA-N	321.323	3.006	10	20	DGCD	
CC(C)[C@@H](CC(F)(F)F)NC(=O)/C=C/c1ccc(O)c(O)c1	783870595	XQWXXTOPBFNXNB-DUMNWFOQSA-N	317.307	3.204	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccc3c(c2)CCCO3)SC1=S	899332857	KFVFRAUWUVRKHV-LCYFTJDESA-N	305.424	3.233	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1nccn1-c1ccccc1	788024153	STXARHBOMWPBMN-UHFFFAOYSA-N	322.368	3.242	10	20	DGCD	
Cc1cc(Br)c(O)c(CN2CC[C@@H](CF)C2)c1	895573614	QCWDVTLWTBXXGX-JTQLQIEISA-N	302.187	3.255	10	20	DGCD	
CCc1ccnc(CNC(=S)Nc2ccc(OC)c(F)c2)c1	797793482	PFSUHLGFWFUKFT-UHFFFAOYSA-N	319.405	3.278	10	20	DGCD	
c1ccc(-n2ccnc2CNCc2ccc3c(c2)CCO3)cc1	790954937	GCXUTMKRCORSRT-UHFFFAOYSA-N	305.381	3.097	10	20	DGCD	
C[C@@]1(CNCc2c(O)ccc(Cl)c2F)CCO[C@H]1C1CC1	790990917	NIYHYKLIBAZOLH-HOTGVXAUSA-N	313.800	3.480	10	20	DGCD	
COc1cc(N(C)Cc2cc(C)ccn2)cc(OC)c1OC	792232613	USGNCWVOMKQETE-UHFFFAOYSA-N	302.374	3.052	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](c2ccsc2)N(C)C)c1O	1334351153	WSKJNOMFFHQOEF-HNNXBMFYSA-N	320.458	3.163	10	20	DGCD	
CCN(C(=O)NCc1ccc(N)cc1)[C@@H](C)Cc1ccsc1	1335737380	OQXUKVHNTHWGTG-ZDUSSCGKSA-N	317.458	3.493	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC(c3ccsc3)CC2)cc1	1335724685	ISTRNRUFBFWWHA-UHFFFAOYSA-N	315.442	3.420	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(C(C)(C)F)n1CC1CC1	1346554429	PEARMCAQPJCRKL-UHFFFAOYSA-N	318.396	3.235	10	20	DGCD	
Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C)cc1	1350517744	HHGGIGIZJIKBMX-UHFFFAOYSA-N	308.385	3.133	10	20	DGCD	
COc1ccc(OC)c(CSc2ncc(C(=O)O)s2)c1	1607278903	NAEFKWQSRPPKLQ-UHFFFAOYSA-N	311.384	3.151	10	20	DGCD	
CCN(CCCN(C)C)Cc1cc(Cl)cc(Cl)c1O	230744740	GJDOXMPRHVFKPU-UHFFFAOYSA-N	305.249	3.473	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2cccs2)c1	153903617	NDLFVEXVCGNJMH-IOCXFXADSA-N	303.383	3.353	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2)c1	103530457	PVUMGILHKJYZGW-STQMWFEESA-N	315.369	3.046	10	20	DGCD	
COc1cccc(CNC(=O)C2(c3ccccc3)CCC2)c1O	175258466	PRFWCRKFQLCNNS-UHFFFAOYSA-N	311.381	3.139	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(F)c(F)c2)c1	114565248	WUQSSFZCSKVQCC-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
CC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1	178095489	PXSWNLOMTSHLBA-BBRMVZONSA-N	305.466	3.097	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H]2CCCOc3ccccc32)c(O)c1O	179468514	APWBBTHHGYDARC-CQSZACIVSA-N	313.353	3.050	10	20	DGCD	
CCOc1cccc(CNCC[C@@](C)(O)c2ccccc2)c1O	189844519	VFZOWEIMBDCGLN-LJQANCHMSA-N	315.413	3.178	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(C#N)cc2OC)c1	182405442	XMAPEOUKQYIUHT-GFCCVEGCSA-N	312.369	3.132	10	20	DGCD	
CN1CCN(Cc2cc(F)ccc2O)[C@H](c2ccccc2)C1	183246794	VXNCAXFSCOJEFV-KRWDZBQOSA-N	300.377	3.020	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H]1CCO)c1cc2c(cc1O)CCCC2	188002126	MAUXOPCQMKRLOT-PMUMKWKESA-N	303.446	3.473	10	20	DGCD	
CC[C@@H](O)CN(Cc1ccccc1)Cc1cc(F)ccc1O	180205646	DELLYVUOTSLPJX-QGZVFWFLSA-N	303.377	3.304	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccncc2)cc1	31728840	ITUVGFGOTHALGO-GOSISDBHSA-N	324.428	3.194	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccncc2C(F)(F)F)cc1	192134628	OSJPEYBYDGFRCZ-UHFFFAOYSA-N	323.318	3.096	10	20	DGCD	
O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cccc(F)c1	96744381	QIUQNEPZDYLDLW-UHFFFAOYSA-N	320.389	3.227	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC3CCC3)ccc21	343194230	PFBZSHKNNOPWJF-UHFFFAOYSA-N	314.429	3.434	10	20	DGCD	
Cc1ccccc1NC1=NC(=O)/C(=C/c2cn(C)nc2C)S1	255584390	CXMJXTLNSAROEL-ZSOIEALJSA-N	312.398	3.119	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@H](C)c1ccc(C)c(C)c1O	273431067	VQRJNMMBPGWVIE-OAHLLOKOSA-N	306.450	3.308	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]3CCC[C@H]32)c1O	278240746	NUADWDQMXDEXNV-WCQYABFASA-N	306.362	3.074	10	20	DGCD	
C[C@H](N[C@H](C)c1ncn(C)n1)c1cc(Cl)c(Cl)cc1O	278793772	QNPZHNXNXJXAGZ-JGVFFNPUSA-N	315.204	3.239	10	20	DGCD	
CC(C)Cn1cc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cn1	273476830	LBBYUEDROYKWBR-LLVKDONJSA-N	304.350	3.326	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]1c1ncon1	371373594	NKMCPOJQLNJSPC-LLVKDONJSA-N	314.172	3.419	10	20	DGCD	
CCCCc1noc(CN(CC)c2ccc(OC)c(OC)c2)n1	299274328	LGDITYJBAKPRCR-UHFFFAOYSA-N	319.405	3.456	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)N[C@@H](C)c1cc(OC)ccc1O	295135211	PDGYTWSLFGMLRD-QWRGUYRKSA-N	321.339	3.409	10	20	DGCD	
Cc1ccc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1	291705623	PIRPXJYZICNEQU-NSHDSACASA-N	319.426	3.148	10	20	DGCD	
C[C@@H](NCc1cc(F)ccc1O)[C@@H]1OCCc2sccc21	292695938	BTVQPWWLCWKPCQ-HWPZZCPQSA-N	307.390	3.385	10	20	DGCD	
CC(=O)N[C@H]1CCN(Cc2cc3oc4ccccc4c3cc2O)C1	817366507	UHKYTRMSUBBTLZ-AWEZNQCLSA-N	324.380	3.002	10	20	DGCD	
CN(C)c1cccc(CNCc2ccc3ccccc3c2O)n1	816558566	DJWNLGUDCNIOKN-UHFFFAOYSA-N	307.397	3.296	10	20	DGCD	
c1cc(-c2nn[nH]n2)ccc1COc1ccc(N2CCCC2)cc1	823743085	SLILIVBXXMEKAL-UHFFFAOYSA-N	321.384	3.046	10	20	DGCD	
COCCOCCCNCc1cc(-c2ccccc2)ccc1O	725843957	JCPRZCJEXWFRGJ-UHFFFAOYSA-N	315.413	3.202	10	20	DGCD	
Cc1cc(O)c(CN2CCCN(CC(F)F)CC2)cc1Cl	825928092	MJIUJMDPYOGTBP-UHFFFAOYSA-N	318.795	3.127	10	20	DGCD	
CC1(C)CCCN1CCNCc1c(O)ccc(Cl)c1F	825331370	FJGBHPMZPZLCMS-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCC(C)(F)F)cc1F	836291272	QUVLTZAXKJKZCF-UHFFFAOYSA-N	317.355	3.126	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(C(C)(C)C)n1CC1CC1	830499619	YRXZNFJLBRLEJC-UHFFFAOYSA-N	314.433	3.328	10	20	DGCD	
O=C(NCC1(c2ccc(F)cc2)CCC1)c1cc(O)cs1	732281602	SGSZHOAHYNWOKT-UHFFFAOYSA-N	305.374	3.445	10	20	DGCD	
Cc1cc(O)c(CN2CCc3ccccc3[C@H]2C(=O)O)cc1C	833747245	UIIQGXYXKAMKRO-SFHVURJKSA-N	311.381	3.193	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(F)c(Cl)c1	588404597	ZBAXBTDAOBPSOF-UTCJRWHESA-N	321.735	3.220	10	20	DGCD	
Cc1nc(C)c(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1	839918430	MAXBPGLTUCKIGD-LBPRGKRZSA-N	315.417	3.027	10	20	DGCD	
COc1ccc(N(Cc2cc(=O)c(OC)co2)CC2CC2)cc1	831588151	UEKKMOKVBHYGLQ-UHFFFAOYSA-N	315.369	3.074	10	20	DGCD	
CC[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)F	849744678	FSQAQRKOBZIMHL-DFVUYQKZSA-N	300.301	3.336	10	20	DGCD	
C[C@]1(F)CCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	844219822	XAAJXPTZOKKESI-VOKGJARPSA-N	308.309	3.021	10	20	DGCD	
COc1cccc(CNC(=O)NCC[C@@H]2CCCC[C@H]2C)c1O	745821056	VBEWIUBIAHVKEV-KGLIPLIRSA-N	320.433	3.416	10	20	DGCD	
Cc1cc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)no1	840487691	HOOKAPCNSFQSBW-GFCCVEGCSA-N	316.405	3.110	10	20	DGCD	
CCOC(=O)c1cc(NCc2cccc(CC)c2O)cn1C	848912654	VHEWVMGYVYQZGM-UHFFFAOYSA-N	302.374	3.082	10	20	DGCD	
COc1cccc(CNCCc2ccc(N)cc2)c1OC(F)F	841037138	SQQDAJQGTBWBMU-UHFFFAOYSA-N	322.355	3.211	10	20	DGCD	
COCC[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	750824303	RUMWZFWEPVGMOU-ZDUSSCGKSA-N	300.402	3.249	10	20	DGCD	
O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1cc(O)cs1	855389720	BGFIKUWKAFMUGK-LLVKDONJSA-N	323.336	3.074	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(N(C)C)cc1	850501853	QGNIKMGAKRHTHE-DFIRMOIBSA-N	308.491	3.093	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1	858305212	SJLMZIRLHLUTOP-ZHALLVOQSA-N	322.408	3.086	10	20	DGCD	
C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1	754549446	DACPOXFMTFJSRR-LLVKDONJSA-N	319.360	3.447	10	20	DGCD	
C[C@@H](NC[C@H]1COc2ccccc2C1)c1ccc(F)cc1O	756458188	UGCVLBJGTCJWAK-OLZOCXBDSA-N	301.361	3.433	10	20	DGCD	
C[C@H]1C[C@H]1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	754130942	TWYOMMJYZXIZON-NHIYQJMISA-N	306.425	3.185	10	20	DGCD	
CCC[C@H](O)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	750234762	WSKQGKZKSBUAEK-KRWDZBQOSA-N	306.450	3.041	10	20	DGCD	
O=C(O)CCC1CCN(Cc2c(O)ccc(Cl)c2F)CC1	854240718	DRPGSLGERGPJDZ-UHFFFAOYSA-N	315.772	3.262	10	20	DGCD	
OC1CCN(c2ccc(CNc3ccc(Cl)cn3)cc2)CC1	853955773	JNRQGZBXBLHFBP-UHFFFAOYSA-N	317.820	3.308	10	20	DGCD	
C[C@@H](CCC1CC1)NC(=O)NCc1ccc2c(c1)CCCN2C	768967957	LIDISGWBTLVIDY-AWEZNQCLSA-N	315.461	3.447	10	20	DGCD	
C[C@H](CO)N(Cc1cc(F)c(N(C)C)cc1F)CC1CCC1	862358869	YKYPYTUAATXVQP-GFCCVEGCSA-N	312.404	3.014	10	20	DGCD	
CCN(CC)[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	768466164	NFANFDQTZVUFBO-SFHVURJKSA-N	302.462	3.187	10	20	DGCD	
Cn1cnc(/C=C\C(=O)N2CCc3c2cccc3C(F)(F)F)c1	935387980	PUNQTPJVQPSCSD-WAYWQWQTSA-N	321.302	3.041	10	20	DGCD	
Cc1ccccc1C(=O)NCc1cccc(Br)c1O	765728516	URDZGSXCADVOOZ-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CCC2CC2)c1	768969779	QZCAAMUEQJHHRI-NWDGAFQWSA-N	306.406	3.340	10	20	DGCD	
CCN(CCc1ccccn1)Cc1ccc(N(C)C)c(F)c1	769033285	JXZPIUIADILKGV-UHFFFAOYSA-N	301.409	3.351	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2cn(C(C)(C)C)nn2)cc1	763544945	OVNDTZINUYNFBV-UHFFFAOYSA-N	302.422	3.457	10	20	DGCD	
C[C@@H](N[C@H]1CCn2ccnc2C1)c1cc2c(cc1O)CCCC2	779065650	NIIHTIUEYCAFNR-CJNGLKHVSA-N	311.429	3.133	10	20	DGCD	
Cc1cnc(NC(=O)c2sccc2-n2c(C)ccc2C)[nH]1	771036034	DSKBGKOYJOULIC-UHFFFAOYSA-N	300.387	3.439	10	20	DGCD	
CC(C)OC1CCC(NC(=O)N[C@H](C)c2ccccc2O)CC1	875413207	NJQNIIIGNASEBA-WLYUNCDWSA-N	320.433	3.489	10	20	DGCD	
C[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1	876643108	UGSNFGSPXPYOQN-MRXNPFEDSA-N	302.462	3.270	10	20	DGCD	
COc1ccc(CNCCNC(=O)CC2=CCCCC2)cc1C	1124830461	DDCBPHVPWBKXSH-UHFFFAOYSA-N	316.445	3.100	10	20	DGCD	
COc1cc(NCc2ccc(N3CCC(C)CC3)cc2)ncn1	772047689	MFJQHAASGYZXHO-UHFFFAOYSA-N	312.417	3.334	10	20	DGCD	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccccc1O	770504530	IJPPRGIEEZUEDH-HIFRSBDPSA-N	320.433	3.270	10	20	DGCD	
COc1ccc(CSc2ncc([N+](=O)[O-])s2)c(OC)c1	882736931	WHVRQKAZMCHITR-UHFFFAOYSA-N	312.372	3.361	10	20	DGCD	
COc1ccc(F)cc1NCc1ccc(OC)c(OC)c1O	893225056	IWIGHSFHGGGNTI-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
O=C(COC(=O)[C@@H](F)CC1CCCCC1)c1ccc(O)c(O)c1	796205950	LAEYSIGFPQIOKI-ZDUSSCGKSA-N	324.348	3.132	10	20	DGCD	
CCc1ccc([C@@H](O)CNCc2c(O)cccc2Cl)cc1	796450017	JEFLJFQIDGFXBV-KRWDZBQOSA-N	305.805	3.431	10	20	DGCD	
COc1ccc(CNC(=O)/C=C(\C)c2ccc(F)cc2)c(O)c1	794381002	HNLSFFMGQKZFBH-FMIVXFBMSA-N	315.344	3.260	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCc2c(O)nnc(C)c2C)c1O	1323472636	PAFRPOXHVWKMKH-NSHDSACASA-N	321.808	3.317	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(Cl)c1F	1323568956	HBWZNEBHFAJIBU-ALCCZGGFSA-N	321.735	3.220	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1-c1nnc(CN(C)C)o1	1325780767	VWGNRDXFAQOAHX-UHFFFAOYSA-N	302.403	3.267	10	20	DGCD	
O=C(O)c1cnc(NCc2ccccc2O)c(C(F)(F)F)c1	1602534142	ZMVVLXIJEZZHHQ-UHFFFAOYSA-N	312.247	3.116	10	20	DGCD	
O=C(O)[C@@H](NCc1cc(Cl)ccc1O)c1ccccc1F	1608548385	MJUNYYFQXYROFW-AWEZNQCLSA-N	309.724	3.100	10	20	DGCD	
C[C@H](NCc1cc(C(=O)O)cs1)c1ccc(N(C)C)cc1	1604343120	XNFBUMZGHSDHMY-NSHDSACASA-N	304.415	3.363	10	20	DGCD	
O=C(O)COc1ccc(N(C/C=C/Cl)C/C=C/Cl)cc1	1610786819	STGAPVJTADKATC-FACPPWRESA-N	316.184	3.461	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)NCc1c(O)cccc1Cl	227690915	JFQNOGBZCHNVRQ-JTQLQIEISA-N	314.813	3.048	10	20	DGCD	
Cc1ccc(CN[C@H]2C[C@@]3(CCNC3)Oc3ccccc32)c(O)c1	1579696724	BPVYAXKWNSFKGK-FXAWDEMLSA-N	324.424	3.046	10	20	DGCD	
CN(C)c1ccc(OCc2ccc(Cl)cn2)cc1C(=O)O	1598328342	IERFNIHCAXDJPH-UHFFFAOYSA-N	306.749	3.078	10	20	DGCD	
Cc1[nH]c(CN(C)c2ccc(OC(C)C)cc2)cc1C(=O)O	1599962754	STHYTRSWLPRKAG-UHFFFAOYSA-N	302.374	3.445	10	20	DGCD	
C[C@H](NCC(C)(C)c1ccccn1)c1cc(C(=O)O)ccc1O	1593239605	GRAPMOMELXVXAM-LBPRGKRZSA-N	314.385	3.114	10	20	DGCD	
CCN(C)c1ccc(CN[C@@]2(C(=O)O)CCC[C@H]2C)c(C)c1	1776856715	DYIFZWRTAYAIOX-KDOFPFPSSA-N	304.434	3.184	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNC2(C(=O)O)CC2)cc1	1777077639	ZJGIWYUBDUAYOJ-UHFFFAOYSA-N	316.426	3.091	10	20	DGCD	
COC(=O)CCCN(Cc1ccco1)c1ccc(OC)c(F)c1	150864644	RWLUGLQCVRZHBU-UHFFFAOYSA-N	321.348	3.387	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1C=CCCC1	158715240	NAKHOUUDOQMZGO-AWEZNQCLSA-N	300.402	3.179	10	20	DGCD	
CC[C@@H](N[C@@H]1COc2c(cccc2OC)C1)c1ccccc1O	155623642	QLXNUTQRWNHGIR-GOEBONIOSA-N	313.397	3.445	10	20	DGCD	
C[C@@H](NCCC1(C)OCCO1)c1ccc2ccccc2c1O	183887413	PVGOVWORCAAMGL-CYBMUJFWSA-N	301.386	3.349	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCCc2c(F)ccc(F)c21	119316911	WVAAWDWJQDNGLR-ZZXKWVIFSA-N	318.298	3.492	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(NC=O)cc1	177136761	PUFMAFKQOOVZRD-UHFFFAOYSA-N	312.369	3.013	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1C	106856774	PQZMJKQPOACTBB-HNNXBMFYSA-N	320.433	3.108	10	20	DGCD	
CCC(CC)NC(=O)N1CCCN(c2ccc(OC)cc2)CC1	56371403	JJNIYYOXBIERQR-UHFFFAOYSA-N	319.449	3.106	10	20	DGCD	
C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(N2CCCC2)cc1	171734398	ZSVHFPHXLTUPRI-OAHLLOKOSA-N	318.461	3.497	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C2(Cc3ccccc3)CC2)c1	176295642	BHAOTIHFJMVLNJ-UHFFFAOYSA-N	311.381	3.040	10	20	DGCD	
CC[C@@H](NC1CCN(C2CC2)CC1)c1ccc(N(C)C)cc1	119685877	PCMBERQPANZTSO-LJQANCHMSA-N	301.478	3.420	10	20	DGCD	
OCCN(CCc1ccccc1)Cc1c(O)cccc1Cl	126197718	DLVSHTBMNMIHPI-UHFFFAOYSA-N	305.805	3.083	10	20	DGCD	
Cc1cnccc1NC(=O)NCc1c(O)ccc2c1CCCC2	121392879	ZHVCPNKGRXHERL-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2c(F)cccc2[N+](=O)[O-])c1	182434349	TZLAOMGTKOURLY-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
Cc1cccc(CN2CCO[C@@H](c3cccc(F)c3)C2)c1O	180024667	WYOOIAFQZNTBDI-QGZVFWFLSA-N	301.361	3.413	10	20	DGCD	
C[C@@H](N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccccc1O	183527635	MDGMQPHCMHGIEY-IUODEOHRSA-N	320.433	3.346	10	20	DGCD	
CCCCNc1nnc(Sc2ncc([N+](=O)[O-])s2)s1	45374619	NQXVXUCPEFGROY-UHFFFAOYSA-N	317.421	3.266	10	20	DGCD	
COCC[C@@](C)(O)CN[C@H](C)c1cc(Cl)c(Cl)cc1O	192871834	IPGWHEZEPPLAFU-YMTOWFKASA-N	322.232	3.137	10	20	DGCD	
Oc1ccc(Br)cc1CN(CC(F)F)C1CC1	93276232	RMFQUONESPXFRE-UHFFFAOYSA-N	306.150	3.384	10	20	DGCD	
CC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(CC)CC	265408214	CSCYGKUHSCSOSU-SFHVURJKSA-N	317.477	3.023	10	20	DGCD	
CC(C)C[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	277222318	HXLPVBBPTGGUSP-QGZVFWFLSA-N	304.434	3.266	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](c2ccccc2)c2cnn(C)c2)c1	371808447	IPIUADFOXKJSRK-IBGZPJMESA-N	323.396	3.014	10	20	DGCD	
C[C@H](NC[C@H]1OCCc2ccccc21)c1ccc(F)cc1O	371869686	JVXDHMHAIJTRGN-KPZWWZAWSA-N	301.361	3.496	10	20	DGCD	
CC[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	286356690	ZMJLRWZNJAUHID-HZPDHXFCSA-N	307.340	3.445	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1	289987136	SDJJLNSTMPGWJP-MRXNPFEDSA-N	304.825	3.050	10	20	DGCD	
CC(C)(CNCc1ccc(N2CCOCC2)cc1)C1CCC1	385509955	RJFGOVQKKIIKNN-UHFFFAOYSA-N	302.462	3.439	10	20	DGCD	
COc1cccc(CN2CCCN(C)c3ccc(F)cc32)c1O	809785951	IVTBGAQFPUUEFJ-UHFFFAOYSA-N	316.376	3.386	10	20	DGCD	
O=C(OC[C@@H]1CCCO1)N(Cc1ccccc1O)C1CCCC1	805010852	NKRMZSJJCACFDH-INIZCTEOSA-N	319.401	3.452	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)c3cc(C)on3)CC2)cc1	800503057	MFXWHEULOJKYED-AWEZNQCLSA-N	315.417	3.311	10	20	DGCD	
C[C@@H](c1cc(F)ccc1O)N1CCC[C@H](CC(C)(C)C(N)=O)C1	296473750	NWKCNZQLWZXDSY-QWHCGFSZSA-N	322.424	3.206	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H]1CCCN(C(C)C)C1=O	801599502	QNGLFWQLDNOWJP-QGZVFWFLSA-N	318.461	3.394	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2c[nH]ccc2=N)cc1F	817903340	NPEJWSRMRJFGOL-CYBMUJFWSA-N	316.424	3.330	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3nnc(C(C)C)o3)C2)cc1	819935672	SGXKNIJPYSUAQC-CYBMUJFWSA-N	316.405	3.140	10	20	DGCD	
CCCc1nsc(NCc2ccc3c(c2)CCCN3C)n1	812456559	IYSBNRYWSJJXFJ-UHFFFAOYSA-N	302.447	3.485	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H](C)c1ccc(N(C)CC)cc1	815632418	MPMBSQPCWZTYFU-HOTGVXAUSA-N	319.493	3.346	10	20	DGCD	
Cc1ccc([C@H](O)CNCCCSc2nccs2)cc1	819064028	SLKZLTSLPVCVJZ-CQSZACIVSA-N	308.472	3.257	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N(CCN(C)C)c1ccccc1	492748664	YFBPQIWPBIZKJC-KTKRTIGZSA-N	315.442	3.060	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccncc1	901705732	GBNXLRWFUPKRTE-BEFAXECRSA-N	312.461	3.101	10	20	DGCD	
CN(Cc1ccc(N(C)C)c(F)c1)C[C@@](C)(O)c1ccccc1	822515998	HAEGZBHYEYRBGD-LJQANCHMSA-N	316.420	3.231	10	20	DGCD	
Cc1csc([C@H](C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	832431895	XTJMZQRFZHSYIR-CHWSQXEVSA-N	317.458	3.498	10	20	DGCD	
CCCCC[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O	901724582	BNCZYNCPPOEVAY-QWPQOLDESA-N	304.434	3.389	10	20	DGCD	
Cc1ncc(CNCc2ccc(N(C)C)cc2C(F)(F)F)o1	839170620	PSYPMJDINFISCJ-UHFFFAOYSA-N	313.323	3.358	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(OC(C)C)cc2)c1	734018054	CMSFAUFYOADCMQ-UHFFFAOYSA-N	315.369	3.118	10	20	DGCD	
Oc1cccc2c1[C@@H](NC1(c3ccc4c(c3)OCO4)CC1)CC2	834729196	ATDDHJOFROLWEQ-AWEZNQCLSA-N	309.365	3.387	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCCO[C@@H](c2ccccc2)C1	732288358	QNTKCJYKECPUOX-CQSZACIVSA-N	303.383	3.058	10	20	DGCD	
Nc1ccc(CC(=O)N(Cc2c(F)cccc2F)C2CC2)cc1	832021977	XUUOMSVFXREBSH-UHFFFAOYSA-N	316.351	3.281	10	20	DGCD	
Cc1ccc(C2(C(=O)NCc3ccc(O)cc3O)CCC2)cc1	910944064	KGOYVGXTBCARNS-UHFFFAOYSA-N	311.381	3.144	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CS[C@@H](C)C1	840417346	IBPMHDXUQBOFIH-GXTWGEPZSA-N	308.447	3.208	10	20	DGCD	
CCN1C[C@H](CNCc2cc(-c3ccccc3)ccc2O)CC1=O	846092927	KOICKMPFKJEHQQ-HNNXBMFYSA-N	324.424	3.017	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)c1O	846142796	CKMPCGJIFYHTHX-NVGCLXPQSA-N	319.376	3.313	10	20	DGCD	
C[C@@H]1C[C@H]1c1noc(-c2csc(Cc3ccc(N)cc3)n2)n1	843189732	CBIAYQJNLOERKX-BXKDBHETSA-N	312.398	3.490	10	20	DGCD	
C[C@@H](CCCC(F)(F)F)NC[C@@H](N)c1ccc(N(C)C)cc1	841045534	MKZQKWLUGHQZAA-SWLSCSKDSA-N	317.399	3.463	10	20	DGCD	
COc1ccc(CN[C@@H](CCc2ccccc2)C(=O)O)cc1C	841796144	OAUBAVWEQQKOCY-KRWDZBQOSA-N	313.397	3.179	10	20	DGCD	
CCc1cccc(CNCc2c(C)cc(C)nc2OC)c1O	848896303	YFRPSQMTWQAPDJ-UHFFFAOYSA-N	300.402	3.265	10	20	DGCD	
C[C@H](N[C@H](CO)CCF)c1ccc(N2CCCCC2)c(F)c1	846209572	SINZHQYXOHHPES-ZFWWWQNUSA-N	312.404	3.187	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H](C(C)(C)C(=O)O)C2)cc1	846284803	ORDKVRCLXSIVCQ-MRXNPFEDSA-N	318.461	3.466	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C(C)=C2CCC2)cc1	844857548	ZYUUWRQKKIWTJF-UHFFFAOYSA-N	302.418	3.090	10	20	DGCD	
C[C@H](NCC(F)(F)Br)c1ccc(N(C)C)cc1	851950293	NIRWCCZUISUCRR-VIFPVBQESA-N	307.182	3.391	10	20	DGCD	
CCN(Cc1nnsc1Cl)c1ccc(OC)c(OC)c1	921062347	XEVKGORVDHFTJP-UHFFFAOYSA-N	313.810	3.235	10	20	DGCD	
COC(C)(C)CN[C@@H](C)c1cc(Br)ccc1O	756645636	HFMKJKFSDAJKIW-VIFPVBQESA-N	302.212	3.230	10	20	DGCD	
CC[C@@H](CC(F)F)CN(C)c1ccc(OCC(=O)O)cc1	851705713	TUHSHSOAYXGUEW-NSHDSACASA-N	301.333	3.268	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2cnccc2C)c1	756675956	JHBFXPRCHGSITI-CHWSQXEVSA-N	314.385	3.294	10	20	DGCD	
CCCN(CCC)CCCC(=O)NCc1cc(C)ccc1O	862758659	FYLMIFLLPBDSGB-UHFFFAOYSA-N	306.450	3.219	10	20	DGCD	
CCc1cnccc1[C@H](C)NCc1cc([N+](=O)[O-])ccc1O	773425788	CYERBBAMRIULLG-NSHDSACASA-N	301.346	3.109	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@@H](CC(=O)OC(C)C)C1	877377722	WJFHWDJPPUGUHU-HNNXBMFYSA-N	305.418	3.254	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1scnc1C1CC1	779540550	RQBJXWAIKVRRMU-QHHAFSJGSA-N	302.355	3.084	10	20	DGCD	
Cc1ccc(CN[C@@H](C)C[C@@H](O)c2ccc(F)cc2)c(O)c1	877131358	YKAJIXZEQDZFMH-SCLBCKFNSA-N	303.377	3.442	10	20	DGCD	
CC(=O)N1CC[C@H](NCc2ccc(C)cc2O)c2ccccc21	877121597	WVJBNFDIVRSEMW-KRWDZBQOSA-N	310.397	3.288	10	20	DGCD	
C[C@@H](N(C)Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C	775654010	RCRYVPFCDVDBKG-MRXNPFEDSA-N	303.494	3.305	10	20	DGCD	
C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1	779499609	NNKDXTOKZJBZIN-PPFSTCQPSA-N	315.344	3.170	10	20	DGCD	
CCC(=O)N(C)c1ccc(NCc2cccc(OC)c2O)cc1	883310433	MRXCCVREIXAEJV-UHFFFAOYSA-N	314.385	3.386	10	20	DGCD	
CC[C@H](CC(F)(F)F)NCc1ccc(OC)c(OC)c1O	893591841	HYWALUFPRGODDU-SNVBAGLBSA-N	307.312	3.230	10	20	DGCD	
Cc1nn(C(C)C)c(C)c1CN(C)c1ccc2c(c1)OCO2	893460643	HOMHRJLEZWBCRT-UHFFFAOYSA-N	301.390	3.446	10	20	DGCD	
COc1cc(C)cc(CN2CC3(CCOCC3)[C@H]2C(C)C)c1O	894997949	CVNIFCNIRRTTSQ-GOSISDBHSA-N	319.445	3.346	10	20	DGCD	
CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(O)c1O	790466455	ONIGUHQUJHSOCB-UHFFFAOYSA-N	309.724	3.163	10	20	DGCD	
CC[C@@H](NC[C@@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1O	794791928	CQBMMUKKBFGFRA-SJLPKXTDSA-N	320.477	3.098	10	20	DGCD	
C[C@H](NC[C@@](C)(O)C1CCCCC1)c1cc(C(=O)O)ccc1O	1593240705	ROKYGDGTACLLSJ-KPZWWZAWSA-N	321.417	3.072	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](CC(=O)O)C3CCCC3)ccc21	1776884803	ZCRBZHLTAIYKOO-KRWDZBQOSA-N	316.445	3.192	10	20	DGCD	
CC[C@@H](CCNCc1ccc2c(c1)CCCN2CC)C(=O)O	1776712197	XEPGWARUIIZUPG-HNNXBMFYSA-N	304.434	3.050	10	20	DGCD	
CC[C@H](N[C@@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1	158225399	SFLQXPNDUJSRAR-QUCCMNQESA-N	312.457	3.397	10	20	DGCD	
COc1cccc(CNC2CC(OCc3ccccc3)C2)c1O	364924797	RDDPTGRCXAKREK-UHFFFAOYSA-N	313.397	3.238	10	20	DGCD	
CCc1nn(C)cc1NCc1ccc(Br)cc1O	691461008	DPQZKJZRSWNQSB-UHFFFAOYSA-N	310.195	3.063	10	20	DGCD	
CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	7366186	RWLQOTCWZABLFZ-UHFFFAOYSA-N	316.317	3.181	10	20	DGCD	
COc1ccc2c(c1)C(=O)N(C)[C@H](c1cccc(Cl)c1O)N2	102417648	BXKYXOYZBFXJMQ-OAHLLOKOSA-N	318.760	3.251	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3cc(F)ccc3o2)c1	117983028	OISKXTVNKZSLSS-UHFFFAOYSA-N	315.300	3.216	10	20	DGCD	
Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccccc2O)o1	179562302	UFQHAXTYXLHSDG-KRWDZBQOSA-N	321.380	3.383	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])c(C)n1	301755041	KGZWIFCBMYXNFG-UHFFFAOYSA-N	314.389	3.391	10	20	DGCD	
C[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	124808398	GVEPEFQCIVNYJL-UGSOOPFHSA-N	302.393	3.276	10	20	DGCD	
CC[C@H](C)[C@H](O)CN[C@@H](C)c1cc(Br)ccc1O	185438145	YBEPKMUIOWCNDU-PKFCDNJMSA-N	316.239	3.212	10	20	DGCD	
O=C(C1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	71797625	FGAJMZHRFIQLED-INIZCTEOSA-N	303.402	3.090	10	20	DGCD	
Oc1ccccc1CN(CCC(F)(F)F)C[C@H]1CCCO1	72952799	OETDRDFRELJCQN-CYBMUJFWSA-N	303.324	3.326	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(C)cc(OC)c2O)cc1F	120510409	BGKQWZZZDSYHTO-UHFFFAOYSA-N	319.376	3.489	10	20	DGCD	
C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1O	184982548	BYBJDIFMPNMKNL-KCJUWKMLSA-N	317.216	3.018	10	20	DGCD	
COc1cccc(CNC(=O)NCC(C(C)C)C(C)C)c1O	194355246	UNDNJEVQENTBMN-UHFFFAOYSA-N	308.422	3.128	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(c3ccccn3)C2)cc1	90803151	DZCABWOLSWSRAI-FUHWJXTLSA-N	324.472	3.467	10	20	DGCD	
CC(C)[C@@H](NC(=O)Cc1ccc(N)cc1)c1nc2ccccc2[nH]1	262652315	VUMMJGXTSNBZOE-GOSISDBHSA-N	322.412	3.201	10	20	DGCD	
Cc1ccncc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1	271501188	NYPLYXRERBWNHV-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
C[C@H](NCc1cccc(N(C)C)c1)c1cc([N+](=O)[O-])ccc1O	273370060	CFSYYWZQBTYGJU-LBPRGKRZSA-N	315.373	3.217	10	20	DGCD	
Cc1ccnc(C)c1NC(=O)NCc1ccc(N(C)C)c(F)c1	287640178	VRQJXNLVNVRBBY-UHFFFAOYSA-N	316.380	3.225	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2CC[C@@H](O)C2)c(C(F)(F)F)c1	280631217	QKGWDFKBAAEHNV-BXUZGUMPSA-N	316.367	3.022	10	20	DGCD	
Fc1cc(F)c(CNCc2ccc3c(c2)CCO3)c(F)c1F	281719746	QOQZFUWXIJFWOO-UHFFFAOYSA-N	311.278	3.468	10	20	DGCD	
CC(C)c1noc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1	298718264	MXPQDIJUNMLBET-UHFFFAOYSA-N	314.433	3.424	10	20	DGCD	
CCc1nc(C)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)o1	291822818	DOFLGFLTIYNITR-VIFPVBQESA-N	305.334	3.010	10	20	DGCD	
CC(C)c1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n[nH]1	292128853	GIHANYMVEJEBCJ-UHFFFAOYSA-N	313.449	3.159	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H]2CSC[C@H]2C)c1O	809702275	FBYIFFQQPQROMP-BXKDBHETSA-N	316.264	3.304	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](O)Cc2cccc(F)c2)c(O)c1C	297390220	RSTQKNYNZOGKHM-PBHICJAKSA-N	317.404	3.402	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](O)CNCc1ccc(N2CC=CC2)cc1	819096172	YIPJIADGTKYOGS-UTKZUKDTSA-N	322.452	3.317	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3cccc(F)c3)C2)cc1	818221394	RTAHJJVACLBLEH-INIZCTEOSA-N	314.404	3.450	10	20	DGCD	
CNC(=O)Oc1cccc(NCc2cc(Cl)ccc2O)c1	813791302	FGDAVLSVNWFLBQ-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
C[C@@H](Cc1cccs1)NC[C@@H](N)c1ccc(N(C)C)cc1	817939071	YLZMUOQPXMPCND-SUMWQHHRSA-N	303.475	3.035	10	20	DGCD	
Cc1cc(CN2CCC[C@@](CO)(C(C)C)C2)ccc1N(C)C	815232739	OBQHSWNOABWORZ-LJQANCHMSA-N	304.478	3.292	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)[C@H](C(=O)O)C(C)C)ccc1OC	819163513	KINYDQJXTNPAPB-SUMWQHHRSA-N	323.433	3.067	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CSC(F)F)cc1	822270162	YLWWBTRFSHOHNK-UHFFFAOYSA-N	316.417	3.447	10	20	DGCD	
Cc1cc(O)c(CNc2cccc(-c3nn[nH]n3)c2C)cc1C	826271796	HTOIHIBPPRDFOM-UHFFFAOYSA-N	309.373	3.110	10	20	DGCD	
Cc1csc([C@H](C)C(=O)NCc2ccc(N(C)C)cc2C)n1	827957991	XHKSPCKIZPRVBL-CYBMUJFWSA-N	317.458	3.246	10	20	DGCD	
CC(C)(CCNCc1ccc2c(c1)CCCO2)CCC(=O)O	900026590	JHQKMNRMRPXBHB-UHFFFAOYSA-N	305.418	3.382	10	20	DGCD	
CN(C)c1ccc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1F	830636096	VFPYCYJIEKGUMF-LXZKKBNFSA-N	320.408	3.109	10	20	DGCD	
COc1ccc(N(CCn2c(C)csc2=O)CC2CC2)cc1	831583109	PQRLXDGPEFTEJB-UHFFFAOYSA-N	318.442	3.143	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCO[C@@H](c3nccn3C)C2)c(O)c1	834910954	HADDUTGDVOWPSY-GRDNDAEWSA-N	315.417	3.005	10	20	DGCD	
CC[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(Cl)ccc1O	834912250	BXCLSODTYVGITL-AEGPPILISA-N	322.836	3.240	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CC2CCC2)C(=O)O)cc1	841817009	GZVIRRBJOMKYBP-QGZVFWFLSA-N	304.434	3.266	10	20	DGCD	
C[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CS1	840354998	VGAZPIYZHLYQEY-BZPMIXESSA-N	307.463	3.007	10	20	DGCD	
COC/C(C)=C\C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	844322948	RIOLMBORYRJSJP-PTNGSMBKSA-N	304.434	3.082	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC([C@H]2CCOC2)CC1	840936836	MWHOGPDJIUOSKE-SFHVURJKSA-N	302.462	3.310	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cc(F)cc(Cl)c2)cc1	841045509	LYWYLCMGYNMIPY-QGZVFWFLSA-N	321.827	3.335	10	20	DGCD	
CC[C@H](N[C@@H](CO)CCF)c1ccc(Cl)c(Cl)c1O	846208014	FHLAAPMCHSIXRH-KCJUWKMLSA-N	310.196	3.460	10	20	DGCD	
COC(=O)Cc1ccccc1CNCc1ccc(OC)c(C)c1	848578847	MXVWKORPAPRGJA-UHFFFAOYSA-N	313.397	3.009	10	20	DGCD	
O[C@@H](CNCc1ccc2c(c1)CCCO2)c1c(F)cccc1F	921767281	PUPGLNPZLGFSOQ-INIZCTEOSA-N	319.351	3.113	10	20	DGCD	
COc1ccc2cccc(CC(=O)NCc3ccccc3O)c2c1	754084793	BLMMWNWQRAJHFE-UHFFFAOYSA-N	321.376	3.413	10	20	DGCD	
Cc1nn(C)cc1[C@H]1CCCN1Cc1c(O)ccc2ccncc12	759155701	ACJHEYNRFANYLL-GOSISDBHSA-N	322.412	3.319	10	20	DGCD	
CCC1(O)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1	754742160	QUBYRSKIYDPLTL-UHFFFAOYSA-N	321.461	3.435	10	20	DGCD	
COCc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1	858092044	MFIKGYAGTPMHBH-UHFFFAOYSA-N	320.383	3.467	10	20	DGCD	
C[C@H](N[C@@H]1COc2ccccc2C1)c1cc(F)cc(F)c1O	756494842	OLZTTZMUSCQSBH-GWCFXTLKSA-N	305.324	3.325	10	20	DGCD	
CNC(=O)c1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)cc1	756398068	YRQZGRYUUFOQHJ-AWEZNQCLSA-N	312.413	3.219	10	20	DGCD	
O=C(c1cccc2c1CCNC2)N1CCCc2cc(F)ccc21	852811738	JXXNOLCPVJDUCI-UHFFFAOYSA-N	310.372	3.064	10	20	DGCD	
Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2F)c1	758169377	RATLLLPEQUGXGA-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
Cc1ccc([C@H](C)NCc2cnn(CC(F)(F)F)c2)c(O)c1	756659202	PKMLKTTUHGTPDG-NSHDSACASA-N	313.323	3.310	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)c1ccsc1	935949193	UZYGVTYATCANAD-NSHDSACASA-N	310.415	3.359	10	20	DGCD	
COc1cc(Cl)cc(CN2CCc3c(O)cccc3C2)c1O	862530048	TYTQSJRKVOZBEQ-UHFFFAOYSA-N	319.788	3.318	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)Cc2cc(OC)c(C)cc2O)C12CCC2	768461933	HQVFRXNYLMAXRV-ROUUACIJSA-N	319.445	3.489	10	20	DGCD	
Cc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)c(C)n1	877116290	VRPUOQMDIITDCK-UHFFFAOYSA-N	311.429	3.272	10	20	DGCD	
COC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(N(C)C)cc1	771524192	DWMHMFOBPNLRLB-GOSISDBHSA-N	312.413	3.099	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(C2CCCC2)[nH]n1	779519086	NPZULTXZQQUNAW-SOFGYWHQSA-N	313.357	3.130	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCC2=CCN(C)CC2)cc1	775960027	SAHBIUKXYBMAHE-UHFFFAOYSA-N	323.440	3.086	10	20	DGCD	
Cc1ccc(CNc2ccc(CN3CCOCC3)cc2)c(O)c1	876838105	IFVSCCNGMHWQLG-UHFFFAOYSA-N	312.413	3.145	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCCc3ccccc32)c1O	774822482	YMGOIOPWBWPQIT-UHFFFAOYSA-N	314.341	3.262	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C	776154575	AQWAGEYOGKGVHZ-KURKYZTESA-N	302.462	3.354	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCC(C)(C)O	773388916	ZOFIZQCUHOVVTL-UHFFFAOYSA-N	306.431	3.046	10	20	DGCD	
CN1CCCc2cc(CNCc3cc(F)cc(F)c3O)ccc21	882943321	NGNJCWFXVSOBQT-UHFFFAOYSA-N	318.367	3.343	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCC1(c2ccccn2)CCC1	883118746	DVIOZPGWLVNBBJ-UHFFFAOYSA-N	304.340	3.277	10	20	DGCD	
CC(C)[C@H](NCc1cc(F)ccc1O)[C@@H](O)c1ccccc1	789778214	GNZDGCZSYGOTEJ-ROUUACIJSA-N	303.377	3.379	10	20	DGCD	
C[C@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1O	783503109	GQNWHHZELUSXGM-WMLDXEAASA-N	312.413	3.262	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NC/C=C\Cl)C2CC2)cc1	899055696	PTJIHGQGBMVIKB-KMKOMSMNSA-N	307.825	3.179	10	20	DGCD	
COc1ccc(CNC(C)(C)c2ccccc2)c(O)c1OC	892679915	WCMPQWKQLUAXIA-UHFFFAOYSA-N	301.386	3.434	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3csc(C)n3)CC2)cc1	1206807925	NPNNPHXGQCXMRS-UHFFFAOYSA-N	317.458	3.172	10	20	DGCD	
OCCN(Cc1c(O)ccc(Cl)c1F)[C@@H]1C[C@H]2CC[C@H]1C2	793328107	LLBVXXAJDDJRAR-COPLHBTASA-N	313.800	3.168	10	20	DGCD	
CC[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	798120641	POKVICQPLYXFCW-NVXWUHKLSA-N	303.450	3.471	10	20	DGCD	
CCN(CC1CCC1)C(=O)NCc1ccc(N(C)C)c(F)c1	792951073	BZCKUHIHEPCVLM-UHFFFAOYSA-N	307.413	3.223	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@@H]2CC[C@H](C)C2)cc1C	1167597127	QIFAMTSPKRACIX-WMLDXEAASA-N	318.461	3.036	10	20	DGCD	
Cc1ccc(C2=N/C(=C\c3ccc4c(c3)CCN4C)C(=O)O2)s1	1319507693	AMZPJDFSEPEGPT-UVTDQMKNSA-N	324.405	3.393	10	20	DGCD	
Cc1cc(CN2CCc3ncncc3C2)c(O)c(C(C)(C)C)c1	1331508338	IASBEQYMHIXABI-UHFFFAOYSA-N	311.429	3.346	10	20	DGCD	
Nc1ccc(CNC(=O)Nc2ccc(OCC3CC3)cc2)cc1	1262603574	NGEGTQKCSITVHE-UHFFFAOYSA-N	311.385	3.379	10	20	DGCD	
O=C(O)c1cnc(S[C@H]2CCN(Cc3ccccc3)C2)s1	1608978784	RJFGIFFGQCBMPA-LBPRGKRZSA-N	320.439	3.208	10	20	DGCD	
C(=C\c1nc(-c2nn[nH]n2)cs1)\c1ccc(N2CCCC2)cc1	1588381642	MUWNMUFHDCDYSN-YVMONPNESA-N	324.413	3.094	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)C1CCCCC1)c1cc(C(=O)O)ccc1O	1593240706	ROKYGDGTACLLSJ-KZULUSFZSA-N	321.417	3.072	10	20	DGCD	
COc1cc(C)cc(CN2CC[C@@H](OCCC(C)C)C2)c1O	164468539	UPXKQRYXJCTWQB-MRXNPFEDSA-N	307.434	3.346	10	20	DGCD	
COCCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCCC1	151324921	GXKJYJSWFGFCLC-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
C[C@@H](NCC1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1	190342663	QYSDNRPZCWFSNK-OAHLLOKOSA-N	318.461	3.337	10	20	DGCD	
CO[C@@H](C1CC1)[C@@H](C)NCc1cccc(Br)c1O	388204394	CPNVWVHNSULXRF-YMTOWFKASA-N	314.223	3.058	10	20	DGCD	
COc1cccc(CNC(=O)/C=C/Sc2ccccc2)c1O	178245038	FFLIYBNQLQYZFM-ZHACJKMWSA-N	315.394	3.323	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1O	136487190	JJADSXBPGQTMCO-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cc(N2CCCC2)ncn1	302876248	FLNXRERMDYRXKM-UHFFFAOYSA-N	311.433	3.063	10	20	DGCD	
COc1cc(Cl)cc(CN2CCO[C@H](c3ccco3)C2)c1O	184701254	VQAXAQSHMNTXOX-HNNXBMFYSA-N	323.776	3.221	10	20	DGCD	
C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	302991443	MNQWOFWXAOPCDP-OCCSQVGLSA-N	307.413	3.270	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@@H](C)c2ccc(F)cc2O)cc1	185825939	UEUOLYVCIRWIAQ-SJCJKPOMSA-N	319.376	3.314	10	20	DGCD	
O=C(/C=C/c1ccccc1)NCCCSc1nccs1	74135901	XCLGZKAWKPHOPY-BQYQJAHWSA-N	304.440	3.455	10	20	DGCD	
CN(Cc1ccco1)C(=O)NCc1ccc(N2CCCC2)cc1	46983952	XLUSCDCWSMAACJ-UHFFFAOYSA-N	313.401	3.221	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](C(C)C)N2CCCC2)c1	192952708	LBPHKOZSQDCEKT-YOEHRIQHSA-N	306.450	3.172	10	20	DGCD	
CN(Cc1nccs1)Cc1cc(Br)ccc1O	93582018	PIHFRCXOSCIEJX-UHFFFAOYSA-N	313.220	3.243	10	20	DGCD	
CCC[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	248271601	QGEBKGVEJRGEGO-ZBFHGGJFSA-N	305.418	3.336	10	20	DGCD	
CCOCc1cc(CN[C@H]2CCOC3(CCC3)C2)ccc1OC	268988075	UPIGKOZYEZHIQO-KRWDZBQOSA-N	319.445	3.423	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@@H](CC)c1ccc(C)cc1O	279994434	FOVVDYARUMIVCV-HNNXBMFYSA-N	317.433	3.246	10	20	DGCD	
Cc1ccc([C@H](C)NCCOCC(F)(F)C(F)F)c(O)c1	278562957	WVBLIIAELOTYKH-JTQLQIEISA-N	309.303	3.268	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC(N3CCCCC3)CC2)c1	271048306	SQBOKGFLYAEWDM-UHFFFAOYSA-N	318.461	3.241	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN2CCOCC2)cc1	272837451	NGEKHDPMEUUFFW-UHFFFAOYSA-N	302.443	3.217	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC3(CCC3)[C@@H]2C2CC2)c1O	378142738	URIIXQFWHHFEEW-INIZCTEOSA-N	318.373	3.074	10	20	DGCD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(O)c(O)c1	272278840	FJFSFWRADPHGRY-JDFRZJQESA-N	321.417	3.088	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)[C@@]12CCCO2	274197500	KXONOWXSYRSDFS-FZDIXFNVSA-N	318.461	3.130	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC[C@H]1O	280734575	IVJDLGHLISTGHN-GOEBONIOSA-N	305.418	3.072	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cccnc1F	806665981	JGLJXOJSUZJTKA-UHFFFAOYSA-N	313.376	3.141	10	20	DGCD	
CC(C)c1cccc(O[C@H](C)C(=O)NCc2ccc(N)cc2)c1	297183867	LLCFICZBRVTMPO-CQSZACIVSA-N	312.413	3.476	10	20	DGCD	
COc1cc(Cl)cc(CN(C)[C@H](CO)c2ccccc2)c1O	294959188	DQAYXRDXGRPUOZ-OAHLLOKOSA-N	321.804	3.220	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCc3ccccc3OC2)c1	800987150	QUTLMRDAVWQYHE-ZFWWWQNUSA-N	313.397	3.445	10	20	DGCD	
Cc1[nH]nc(O)c1NC(=O)c1ccc(-n2c(C)ccc2C)cc1	816740780	NNKWZNXYNNEDBU-UHFFFAOYSA-N	310.357	3.084	10	20	DGCD	
C[C@H](N[C@H]1CCCNC1)c1ccc(N2CCCCC2)c(F)c1	817940100	DWVDMLQDCUKJJZ-HOCLYGCPSA-N	305.441	3.219	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)C(C)(C)C)C2)cc1	819584475	KDSCSDVXAHDGFY-HUUCEWRRSA-N	318.461	3.320	10	20	DGCD	
C[C@H](NC[C@H]1CCCNC1)c1cccc(C(F)(F)F)c1O	817945722	KHTDIWDQOOKLFM-QWRGUYRKSA-N	302.340	3.061	10	20	DGCD	
CN(Cc1cnc[nH]1)Cc1ccc(N(C)C)cc1C(F)(F)F	826768782	DCKMATRMEOEVEI-UHFFFAOYSA-N	312.339	3.127	10	20	DGCD	
Cc1[nH]nc(O)c1NC(=O)c1sccc1-n1c(C)ccc1C	820403768	YXKAHVLJFBUKQV-UHFFFAOYSA-N	316.386	3.145	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CCO[C@@H](c3ccccn3)C1)CC2	834903859	LUJBQKNSHBXUCU-QGPMSJSTSA-N	310.397	3.284	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2cc(Br)cc(C)c2O)C1	839148047	VRLFRBUVTIJEQX-BETUJISGSA-N	314.223	3.120	10	20	DGCD	
CN(C)c1ccc(CN2[C@H]3CC[C@H]2COC3)c(C(F)(F)F)c1	839179844	NPKKNVZENUZOSY-KBPBESRZSA-N	314.351	3.135	10	20	DGCD	
O=C(O)CNc1ccc(Cl)cc1C(=O)c1ccccc1F	833252765	BBMNBAOAIKNOLB-UHFFFAOYSA-N	307.708	3.207	10	20	DGCD	
COc1ccc(C[C@@H](C)NCc2ccc(N(C)C)c(F)c2)cn1	840718794	BQUHTKKNHZVEMS-CYBMUJFWSA-N	317.408	3.016	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)C1CC2(CCC2)C1	843867015	IHVBTQWOVLSSRN-UHFFFAOYSA-N	324.218	3.351	10	20	DGCD	
C[C@H]1Cc2ccccc2N1CCNCc1ccc2c(c1)CCO2	742709376	KKYZBMSTDSEUBD-HNNXBMFYSA-N	308.425	3.162	10	20	DGCD	
CCc1cccc(CNc2ccc(C(=O)N(C)OC)cc2)c1O	848919867	UECYOSJVUUWZJN-UHFFFAOYSA-N	314.385	3.200	10	20	DGCD	
CCOc1ccc(CN[C@](C)(CO)C2CCCCC2)c(O)c1	740014066	LXQIQIDZXMEONY-GOSISDBHSA-N	307.434	3.212	10	20	DGCD	
C[C@H]1CCC[C@H]([C@H](C)NC(=O)NCCc2ccc(N)cc2)C1	841915616	SDFCDFGBZSCGFY-DZKIICNBSA-N	303.450	3.325	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCc3occc32)c1	858132451	DPBBFAJMQQFBMX-CQSZACIVSA-N	300.358	3.170	10	20	DGCD	
C[C@@H](CN1CCC[C@@H](C)C1)N[C@@H](C)c1cc(F)cc(F)c1O	756460793	SYFHVLYZZDDQNB-AGIUHOORSA-N	312.404	3.441	10	20	DGCD	
CCc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1	850404606	BHMDKMKXSQIRMI-UHFFFAOYSA-N	324.468	3.500	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)CCc2ccco2)c1	756357798	PSFBNMXPKQVUFJ-CHWSQXEVSA-N	317.385	3.444	10	20	DGCD	
O=C(NCCCSc1nccs1)c1cccnc1C1CC1	752353620	YVJTWVBJOKTONF-UHFFFAOYSA-N	319.455	3.328	10	20	DGCD	
CCC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	757584650	SMDZVQILSIQFDK-INIZCTEOSA-N	303.450	3.474	10	20	DGCD	
CCn1ccnc1[C@@H](C)NCc1c(O)cccc1Br	858172119	KLCYEDFOSUWJSG-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
C[C@H](NCC1(C(N)=O)CCCC1)c1ccc2ccccc2c1O	756584775	GKLJQBSRDYQCAR-ZDUSSCGKSA-N	312.413	3.242	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCCCC(F)(F)F	759598984	ZZNPZIOLCCHARS-XQRVVYSFSA-N	304.264	3.387	10	20	DGCD	
C[C@H](NC[C@@H]1COCCO1)c1ccc(N2CCCCCC2)cc1	765248651	AIKSKBNOPUSBRS-QFBILLFUSA-N	318.461	3.133	10	20	DGCD	
CC[C@H](Oc1ccccc1C)C(=O)NCc1cc(C)ccc1O	862758149	QGQCGUIXHHPERJ-KRWDZBQOSA-N	313.397	3.483	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1ccccc1F	935946705	MWEOPIVNXKRGDG-GFCCVEGCSA-N	322.376	3.437	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCOC3(CCCC3)C2)c(O)c1	767927134	ORZQPXCFPLKZLX-OAHLLOKOSA-N	305.418	3.372	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2ccccc2F)c1	761974198	VASUPBMWBRCTRR-MQGYJPLLSA-N	315.344	3.431	10	20	DGCD	
CCOc1cccc(CN2CCc3ccc(O)cc3CC2)c1O	769191820	OMTHZONUYXUUAC-UHFFFAOYSA-N	313.397	3.097	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C[C@@H](OC)C1CCOCC1	876522090	HGTGQPWZEPFRMJ-LJQANCHMSA-N	320.477	3.016	10	20	DGCD	
CCOc1ccc(CNCC2([C@H](C)CCO)CCC2)c(O)c1	776257348	LUPZKZMARDHAOL-CQSZACIVSA-N	307.434	3.069	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2ccc(OC)c(OC)c2)c1	775642720	NEUGZXKZXSAEDU-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
COc1cc2c(cc1OC)CN(Cc1c(C)cccc1O)CC2	876531981	WHOZYZBPTHQXIA-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1Cl	779714081	XFQPCLRHQVRHFT-UVTDQMKNSA-N	312.756	3.110	10	20	DGCD	
CC[C@H]1CCCCN1C(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775834186	LFXOAGOETXMLMT-WBVHZDCISA-N	317.477	3.194	10	20	DGCD	
CC(C)c1ccc(C(=O)NCc2ccccc2O)cc1[N+](=O)[O-]	784445642	LLYNDOPBSFLJBL-UHFFFAOYSA-N	314.341	3.354	10	20	DGCD	
Cc1ccc(O)c(CN2CC(c3nc(-c4ccccc4)no3)C2)c1	897320203	OQNYINKZPWASDQ-UHFFFAOYSA-N	321.380	3.350	10	20	DGCD	
COc1ccc(CN2CCS[C@H]3CCCC[C@H]32)c(O)c1OC	892120341	GXUKCTGDDIZXBL-HIFRSBDPSA-N	323.458	3.269	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H](F)CC2CCCCC2)c1	793688385	FUJLPZNHBHYJDL-HNNXBMFYSA-N	309.381	3.326	10	20	DGCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccc(F)c(F)c1	1319158330	WCACQAOBRPWTRK-LLVKDONJSA-N	305.324	3.433	10	20	DGCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)c(F)c1	1321451047	VPHQSQNEMXLUIG-QMMMGPOBSA-N	309.724	3.381	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccc(C)n(C)c1=O	1321348820	SUNDKZCVQVMJIM-WFASDCNBSA-N	312.413	3.046	10	20	DGCD	
COC[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccco1	1254184487	OCVHVJGAYSIUBH-QGZVFWFLSA-N	300.402	3.357	10	20	DGCD	
CC[C@H](NC[C@@H](C)CNC)c1cc(Br)ccc1O	1348853218	SLEDVYVNJFFRNM-GWCFXTLKSA-N	315.255	3.051	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(=O)O)n(C)c2)cc1Cl	1607267911	MWYVUWNMKDPXEG-UHFFFAOYSA-N	308.765	3.022	10	20	DGCD	
C[C@@H]1CSc2ccccc2N(C(=O)/C=C\[C@H]2CCCNC2)C1	1576862088	KFZRTLSSSHTGIQ-STUIXMSNSA-N	316.470	3.317	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](C(=O)O)c3ccccc3C)ccc21	1776884693	KPHXJTFACFSHDB-LJQANCHMSA-N	324.424	3.293	10	20	DGCD	
C[C@@H](SCc1ccccc1)C(=O)NCCc1ccc(N)cc1	152496380	HYCUAEMTIZRQMR-CQSZACIVSA-N	314.454	3.249	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H]2CCN(C3CC3)C2)cc1	152401307	OIAZLITVAMVKEV-CVEARBPZSA-N	301.478	3.278	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCC(F)(F)Br	309518247	SKVBUWXTQPIORP-UHFFFAOYSA-N	318.520	3.262	10	20	DGCD	
Cc1ccc(O)c(CNC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1	715105335	WYGYHZTYRBQYSZ-CTYIDZIISA-N	320.433	3.094	10	20	DGCD	
Cc1cnn(C)c1CNCc1cc(Cl)cc(Cl)c1O	394082748	JRHAQIXJFUOOAL-UHFFFAOYSA-N	300.189	3.031	10	20	DGCD	
O=C(NCc1ccccc1O)C1CC(OCc2ccccc2)C1	746884809	PZALMSAWMJGQST-UHFFFAOYSA-N	311.381	3.004	10	20	DGCD	
CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1	115281429	QWHSWDYKULLWIG-GOSISDBHSA-N	312.413	3.065	10	20	DGCD	
Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1F	173190519	GRFYGBQBKFRGTO-UHFFFAOYSA-N	314.360	3.239	10	20	DGCD	
COc1ccc(N(C)Cc2noc(C(C)(C)C)n2)cc1OC	63617369	FWCJQIUCQIGJOR-UHFFFAOYSA-N	305.378	3.021	10	20	DGCD	
CN(C(=O)CSc1ccc(F)c(F)c1)c1ccc(N)cc1	37285876	UPQMZYFJUDLIJM-UHFFFAOYSA-N	308.353	3.302	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NO[C@@H]2CCCCO2)cc1	72058877	LCGWCNZJAKHZAJ-QGZVFWFLSA-N	314.385	3.282	10	20	DGCD	
COc1ccc(OC)c(CCN[C@@H](C)c2ccc(F)cc2O)c1	185186532	UTEZSDUKVBPERZ-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
CC[C@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O	319723036	BEWQXUOWOKRQRB-INIZCTEOSA-N	318.461	3.470	10	20	DGCD	
CCc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1CC	182410609	BLIPWQMUFKKPTA-UHFFFAOYSA-N	305.399	3.318	10	20	DGCD	
Cc1ccc(C(=O)N2CCCc3cc(F)ccc32)c(O)c1O	182124088	RHRSDHJRSCMXOW-UHFFFAOYSA-N	301.317	3.138	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)C1(CC)CC	193129721	IDASIWHHACTCOG-HUUCEWRRSA-N	321.417	3.154	10	20	DGCD	
CO[C@H](C)c1noc(COc2ccc3c(c2)c(C)c(C)n3C)n1	421199211	MKIBRACBVUJZBW-GFCCVEGCSA-N	315.373	3.465	10	20	DGCD	
Nc1ccc(CC(=O)N2CCSC[C@H]2c2ccccc2)cc1	237884556	XADOBMBLJPDCRR-KRWDZBQOSA-N	312.438	3.128	10	20	DGCD	
COC(=O)c1oc([C@H](C)N(C)Cc2ccccc2O)cc1C	91619335	MPAUFGJRZFIUCB-LBPRGKRZSA-N	303.358	3.273	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(N(C)C)cc1	90846198	QVCQOQWOIZCCCP-AWEZNQCLSA-N	314.477	3.462	10	20	DGCD	
C[C@H](NCCc1cn2c(n1)CCCC2)c1cc(Cl)ccc1O	368477188	DKOXISMRDYRODR-LBPRGKRZSA-N	319.836	3.472	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CC[C@H](C2CCOCC2)C1	373824237	JIZYJVSKJMFLMV-LBPRGKRZSA-N	313.800	3.433	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCO1	273546799	ZODGCKSHKKJVGY-MKBNYLNASA-N	308.378	3.155	10	20	DGCD	
COc1ccc(N2CCC(Nc3cccc(CO)c3)CC2)cc1	376999372	GTQOSEBAUKMKFX-UHFFFAOYSA-N	312.413	3.268	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@H]2c2cc(C)on2)cc1OC	372391627	FAHPWEZRTCULIY-AWEZNQCLSA-N	318.373	3.043	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@H]2COC3(CCCC3)O2)c(O)c1	285304487	SGAZFFRMOZDUSL-LSDHHAIUSA-N	305.418	3.345	10	20	DGCD	
Cc1cc(C(=O)NCCCOC(C)C)c(C)n1-c1ccccn1	298322450	LRSLIEBTWFGGAC-UHFFFAOYSA-N	315.417	3.034	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CCC[C@H]4C[C@H]43)CC2)cc1	800968933	GLIZXYFRBNUQKD-KYNGSXCRSA-N	300.446	3.442	10	20	DGCD	
CCCc1c(C(=O)NCc2ccccc2O)[nH]c(C)c1C(C)=O	299607682	XBDIVEVCTVOFCL-UHFFFAOYSA-N	314.385	3.114	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)cc1C	808095588	KQGIOTOGRLNJQG-UHFFFAOYSA-N	304.386	3.425	10	20	DGCD	
OC[C@@H](CNCc1c(O)ccc(Cl)c1F)C1CCCCC1	815150749	NCIABQYDYLJPNE-GFCCVEGCSA-N	315.816	3.463	10	20	DGCD	
C[C@H]1CC2(CCNCC2)CN1Cc1c(O)ccc(Cl)c1F	818431607	PUJDTCPNTWZPIA-NSHDSACASA-N	312.816	3.149	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CCOC3(CCOCC3)C2)c(O)c1	815596953	JCGYPUCXAOIINA-JKSUJKDBSA-N	319.445	3.388	10	20	DGCD	
COc1cccc([C@H](O)CNCc2cc(Cl)c(C)cc2O)c1	825283784	SXUCAQCJDWGEHJ-QGZVFWFLSA-N	321.804	3.186	10	20	DGCD	
C[C@H]1C[C@H](NCc2cccc(Br)c2O)c2nccn21	825017677	XDBWVJZTRWCUSP-CABZTGNLSA-N	322.206	3.147	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C)C[C@H]2C(=O)O)cc1F	902013375	ALXPXYXNNYXQRS-GUYCJALGSA-N	322.424	3.357	10	20	DGCD	
CCc1cccc(CN[C@H](CO)c2ccc(F)cc2F)c1O	827716408	ZHXVVHGBPOMPCN-MRXNPFEDSA-N	307.340	3.056	10	20	DGCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1	834898855	HHYOTVMNZSBJMQ-CVEARBPZSA-N	317.477	3.242	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2cccnc2)cc1	731963465	BEDPSZFRCNFVDO-UHFFFAOYSA-N	311.429	3.129	10	20	DGCD	
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Cc1ccc(N)cc1	831267830	QAJDJJCQBDSILA-LLVKDONJSA-N	316.351	3.235	10	20	DGCD	
C[C@H](NCCOCC1CCCC1)c1cc([N+](=O)[O-])ccc1O	834909215	JXNRHWSCGKHYFN-LBPRGKRZSA-N	308.378	3.158	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1	901926055	PJWWBJBVNHQHHA-IDCNUPLLSA-N	316.445	3.122	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1	831165803	NCFKTAATLTVXCS-OTWHNJEPSA-N	302.462	3.268	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@]1(C)CC=CCC1	838477669	GKHPCYBASDQAJM-SFHVURJKSA-N	301.434	3.359	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCCOCC3CC3)sc2n1	744576476	SAGPLTPKTPLMAF-UHFFFAOYSA-N	320.414	3.079	10	20	DGCD	
CCc1cccc(CN[C@@]2(CO)CCCc3ccccc32)c1O	848908679	AUAYPMVJTBPTIP-HXUWFJFHSA-N	311.425	3.268	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@@H]1[C@@H]1CCCOC1	842620157	ZNRNMBXZFRIOEO-CRAIPNDOSA-N	312.413	3.331	10	20	DGCD	
C[C@H]1CC(C)(C)CN1Cc1ccc(N2CCOCC2)c(F)c1	840970195	RDBBYBONZIRLIM-AWEZNQCLSA-N	306.425	3.283	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H](OC3CCC3)C2)c1	848925621	ZGYMMSZUCKPCCA-KRWDZBQOSA-N	305.418	3.324	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(CO)cc2)c2c(O)ccc(F)c21	842894849	IRCKGJAZZSZERU-XHDPSFHLSA-N	301.361	3.362	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)cccc1O	858826983	TXWHUIOXLNGSAZ-UHFFFAOYSA-N	312.413	3.429	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCOC(C3CC3)(C3CC3)C2)c1	853582932	XMLGSOFIBLUJOJ-UHFFFAOYSA-N	301.430	3.400	10	20	DGCD	
Cc1nn(C)cc1[C@H](C)N[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	756537082	ZTFNCEFKNIIUOV-PKFCDNJMSA-N	303.381	3.472	10	20	DGCD	
Cc1nccn1CCCN(C)Cc1cc(F)c(N(C)C)cc1F	862367424	IKERQOCUQTYSJY-UHFFFAOYSA-N	322.403	3.058	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2CO[C@H](C)C2)c(C)n1-c1ccccc1	863164323	GEOVHANJSJQWGW-RHSMWYFYSA-N	312.413	3.135	10	20	DGCD	
CN1CCCC[C@H](CNCc2cc(Cl)c(F)cc2O)C1	862483861	ZQRIMQVMVWJUNF-LLVKDONJSA-N	300.805	3.006	10	20	DGCD	
Cc1nc(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2O)sc1C	879648454	PXCNXJZHDWYRFN-GHMZBOCLSA-N	319.430	3.143	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@H](CNC(=O)C(C)(C)C)C1	876719870	XOFSQNWOFZYAGA-OAHLLOKOSA-N	318.461	3.075	10	20	DGCD	
Cc1cccc(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c1O	779432574	VVEMLHGJWBMYMM-UHFFFAOYSA-N	318.461	3.170	10	20	DGCD	
COc1ccc(O)c(CNCc2nc3c(s2)CCCC3)c1	776354005	UMABWKRZACCGNU-UHFFFAOYSA-N	304.415	3.026	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCN(C)C(=O)OC(C)(C)C)c1	185313759	GVDNTMNXTLQGCP-CYBMUJFWSA-N	308.422	3.218	10	20	DGCD	
CC[C@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1O	794815724	LDKMQLQDFWQSMV-RDJZCZTQSA-N	319.445	3.470	10	20	DGCD	
CCOc1ccc(CN[C@H](C)[C@@H](O)c2ccc(C)cc2)c(O)c1	796481518	IAAFTRJZQYVTDW-AUUYWEPGSA-N	315.413	3.311	10	20	DGCD	
COC[C@H](C)n1ccc(NCc2c(O)ccc(Cl)c2F)n1	790988405	OYDFDBLYVHDXCY-VIFPVBQESA-N	313.760	3.201	10	20	DGCD	
C[C@H](NC(=O)N1CCSCC[C@@H]1C)c1ccc(N(C)C)cc1	790503798	XRQPSWXAZSEPPJ-KBPBESRZSA-N	321.490	3.351	10	20	DGCD	
C[C@@H]1CCc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2C1	1330529289	QWNXLHMQYBNVTL-SSDOTTSWSA-N	322.361	3.071	10	20	DGCD	
Cc1ccc(/C=C\C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)cn1	1600398342	OEDVSPGYQRPHOU-HLRDLLSLSA-N	322.364	3.008	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2CC[C@@H](SC)C2)c1O	230934996	QHPLAPLMDYHWSZ-NWDGAFQWSA-N	301.839	3.428	10	20	DGCD	
COc1ccc(CNCC[C@H](C)NC(=O)[C@@H](C)C(C)C)cc1C	1754007462	MYBUVYWZLVIRII-HOTGVXAUSA-N	320.477	3.280	10	20	DGCD	
C[C@@H](NCc1csc(N(C)C)n1)c1ccc(N(C)C)cc1	157056866	XAJSTRIXKZDOAU-GFCCVEGCSA-N	304.463	3.126	10	20	DGCD	
CC(C)=CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	55530411	PWFHZTPOSSSQCJ-KBPBESRZSA-N	320.408	3.022	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC2CCCCCC2)c1	103594678	KNZIYRVBXIONHA-GFCCVEGCSA-N	306.406	3.484	10	20	DGCD	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(N2CCCC2)cc1	178195502	YHZOMUHPYLYUHM-IYBDPMFKSA-N	316.445	3.455	10	20	DGCD	
CN1CC[C@@H]2[C@H](CCCN2Cc2c(O)ccc3ccccc23)C1	129226678	AKRPREMIDIUEGI-VQIMIIECSA-N	310.441	3.462	10	20	DGCD	
CN(OCc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1	181687722	YIBIIPSONNVQIT-UHFFFAOYSA-N	313.401	3.026	10	20	DGCD	
CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1	189405237	UNHKTURJVCAMSN-JKSUJKDBSA-N	317.477	3.194	10	20	DGCD	
COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccccc1O	183384666	XCWGQLSUGQEQAG-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
N#Cc1c(F)cccc1C(=O)NCCCSc1nccs1	189479062	PKBNQILLCPVPTE-UHFFFAOYSA-N	321.402	3.066	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H](c2ccco2)N(C)C)c1O	184704900	YSFIIRCXJMBNIV-ZDUSSCGKSA-N	324.808	3.040	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1O	74624212	IPOSAULUYTZEIZ-LSDHHAIUSA-N	318.417	3.169	10	20	DGCD	
CC(C)(C)OC(=O)N(CCCNCc1ccccc1O)C1CC1	222042496	DETRLXIMNUJZQO-UHFFFAOYSA-N	320.433	3.271	10	20	DGCD	
CCOc1ccc(C(=O)N(C)Cc2ccccc2O)cc1OC	42117109	UPHIFJDNQOQDSY-UHFFFAOYSA-N	315.369	3.072	10	20	DGCD	
CCCc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1	134577707	VSOXHARQAVPJAO-UHFFFAOYSA-N	314.385	3.415	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)ccc1O	94062267	UBZJUGDOWORURU-UHFFFAOYSA-N	316.376	3.260	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cccc(N2CCCC2)c1	237641459	YLPNQIIZRLXYTG-OAHLLOKOSA-N	323.440	3.289	10	20	DGCD	
c1cc(CNCc2ccc(N3CCOCC3)cc2)c2cc[nH]c2c1	236704481	AQQMXFPMEXTMBL-UHFFFAOYSA-N	321.424	3.294	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCN(C)Cc2ccccc2)c1	185111434	FVDSHGSTAWKKTH-HNNXBMFYSA-N	314.429	3.183	10	20	DGCD	
COCCCN1CCC(N[C@@H](C)c2ccc(C)c(C)c2O)CC1	273563836	IVZDIBCKGLEEAM-INIZCTEOSA-N	320.477	3.161	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCN(c3ccccn3)C2)c(O)c1C	273490569	OEOKPXCUMVNUBG-JKSUJKDBSA-N	311.429	3.334	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](C3CCOCC3)C2)cc1F	370724549	YTJPTQHGINPIMO-INIZCTEOSA-N	306.425	3.140	10	20	DGCD	
COc1cccc(CNC[C@H]2CCCN2C2CCCCC2)c1O	280544928	DGHGLILZMAXPCV-QGZVFWFLSA-N	318.461	3.288	10	20	DGCD	
Cc1nnc2c(NCc3cc(Cl)cc(Cl)c3O)nccn12	808089950	NPVARJHJOBHTBI-UHFFFAOYSA-N	324.171	3.057	10	20	DGCD	
Cc1c(N[C@@H](C)c2ccccc2O)cnn1C1CCOCC1	296633475	BODHGGUUWSSXND-LBPRGKRZSA-N	301.390	3.422	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC[C@@H]1N	296781911	LVVURSAKDYQCHH-HOCLYGCPSA-N	304.434	3.038	10	20	DGCD	
CC[C@@H](O)CNCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	819291194	RAYYDUOFQLCQDL-UKRRQHHQSA-N	310.869	3.437	10	20	DGCD	
COc1ccc(CNC[C@H](O)Cc2cccc(Cl)c2)cc1C	818997906	NQYFLNUDLOLJCA-QGZVFWFLSA-N	319.832	3.350	10	20	DGCD	
COCC1CCC(NCCCSc2nccs2)CC1	823937902	MZPHODUQSHZKRE-UHFFFAOYSA-N	300.493	3.420	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N(C)c1ccccc1N(C)C	492681797	OMTALAZMCIHQRE-KTKRTIGZSA-N	301.415	3.194	10	20	DGCD	
CN(C)c1ccc(CNCC2(C(=O)O)CCCCC2)cc1F	901783284	JDBRUBQAUILLCS-UHFFFAOYSA-N	308.397	3.016	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C)C[C@@H]2C(=O)O)cc1F	902013376	ALXPXYXNNYXQRS-SUMWQHHRSA-N	322.424	3.357	10	20	DGCD	
CCOCc1cc(CN[C@H](CC)[C@@H](O)C(C)C)ccc1OC	840966491	GNSVIJDSUHPCMM-AEFFLSMTSA-N	309.450	3.117	10	20	DGCD	
COc1ccc2c(c1)CCCN2C(=O)c1cccc2c1CCN2	912163949	SIQOAYAMLGJPOC-UHFFFAOYSA-N	308.381	3.256	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CCC[C@H](N)C3)cc2)CC1	848717976	DUXCKLHLJRMUTH-ZWKOTPCHSA-N	301.478	3.282	10	20	DGCD	
CCc1cccc(CNc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1O	848895406	UFGYCWDYRKYTLQ-LLVKDONJSA-N	312.369	3.286	10	20	DGCD	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCc1ccc(N)cc1	841961030	ZIQHNYBROYIVEL-KMFMINBZSA-N	301.434	3.174	10	20	DGCD	
CCOC(=O)[C@H](NCc1cccc(CC)c1O)c1ccccc1	848903792	DMSRDOVNGSGHKU-QGZVFWFLSA-N	313.397	3.349	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cccc(F)n2)cc1F	754426049	VNEASLHIJWRSRF-UHFFFAOYSA-N	319.355	3.136	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H]2CCN(C3CCCCC3)C2)c1O	850538665	JQIFLJISWVTSLR-HUUCEWRRSA-N	318.461	3.458	10	20	DGCD	
COc1ccnc([C@@H](C)NCc2ccc3c(c2)CCCN3C)c1	924869215	GCOKMECZTGQJMV-CQSZACIVSA-N	311.429	3.323	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O	851792103	KTMVVQTVYVHIRJ-USXIJHARSA-N	316.445	3.052	10	20	DGCD	
C[C@H](NCCOCCF)c1ccc(N2CCCCC2)c(F)c1	853238849	SWIYOUFXBUXOSZ-AWEZNQCLSA-N	312.404	3.453	10	20	DGCD	
Cc1ccc2c(c1)OCCN2Cc1ccc(N2CCOCC2)cc1	765657193	WKKPERWPCXBQJO-UHFFFAOYSA-N	324.424	3.231	10	20	DGCD	
CCc1c(C(=O)NCc2cc(C)ccc2O)[nH]c(C)c1C(C)=O	862758930	QPWJWOYSSCHOMB-UHFFFAOYSA-N	314.385	3.032	10	20	DGCD	
COC1CCN(c2ccc(CN3O[C@H]4C=C[C@H]3CC4)cc2)CC1	879801112	CTZSSRAAYGLUKS-HKUYNNGSSA-N	314.429	3.136	10	20	DGCD	
CCN(CC)[C@H](C(=O)N(C)c1ccc(N)cc1)c1ccccc1	877077831	WABVVWRFKQWJAR-SFHVURJKSA-N	311.429	3.315	10	20	DGCD	
C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1O	879650086	ZZKLODPQNGQYRZ-GFCCVEGCSA-N	302.330	3.030	10	20	DGCD	
CCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOCC1	773005658	CIMMDYQQSPLLCI-CQSZACIVSA-N	304.434	3.137	10	20	DGCD	
CC(C)[C@@H](NCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C	776257393	MNIUBEMDRPCSJY-MRXNPFEDSA-N	305.418	3.077	10	20	DGCD	
CCO[C@@H](C)c1ncc(C(=O)N(C)c2ccc(N)cc2)s1	877077772	UGJDLPYYTOMRTM-JTQLQIEISA-N	305.403	3.099	10	20	DGCD	
Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cn1	770256001	NGFYWURUYOUBLK-UHFFFAOYSA-N	310.401	3.312	10	20	DGCD	
CCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccn1	779513911	ZFZIZDRYJLEEFK-HQPKTYMTSA-N	312.369	3.164	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCN2C	778988839	QVPDZQOMUFNNMH-UHFFFAOYSA-N	324.424	3.437	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCc2ccccc2C1	779521637	YWRLAQIWZORMBV-XMELGKRDSA-N	323.392	3.032	10	20	DGCD	
Cc1ccc(C(=O)N2CCC3(CCSCC3)CC2)c(O)c1O	870250525	OJUSYRKCUWUFMR-UHFFFAOYSA-N	321.442	3.156	10	20	DGCD	
Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	773089071	RBRRAVDUEUAJCN-LBPRGKRZSA-N	324.471	3.162	10	20	DGCD	
C[C@H](NCc1ccnc(N2CCCC2)c1)c1c(O)cccc1F	886500370	SFUVXSIAMCOOEL-ZDUSSCGKSA-N	315.392	3.377	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1c(O)cccc1F	886556939	NOHHCYSUANTGTP-PIGZYNQJSA-N	307.340	3.229	10	20	DGCD	
CC[C@H](C)n1nc(NC(=O)c2ccc(C)c(O)c2O)cc1C	781018084	QJZVAGGSTNVNSG-JTQLQIEISA-N	303.362	3.134	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](C)c2nc(C)cs2)c1O	894455793	JGYKYEPCWNGUDZ-LLVKDONJSA-N	306.431	3.367	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1	895280742	ZSWVOFIGTMJENT-WBMJQRKESA-N	311.372	3.452	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cn1	784635722	KWRKOFKJDUBBAG-UHFFFAOYSA-N	313.376	3.141	10	20	DGCD	
Fc1cc(CNC[C@@H]2CCCCS2)ccc1N1CCOCC1	784615435	HWLNZWFEHGDIBS-HNNXBMFYSA-N	324.465	3.038	10	20	DGCD	
CN(C)CC1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1204327492	VWWHSOHKTDTUKR-UHFFFAOYSA-N	301.478	3.060	10	20	DGCD	
COc1ccc(CNC(=O)c2cccc(F)c2SC)c(O)c1	798006684	VRGAOUMSVPFCAM-UHFFFAOYSA-N	321.373	3.192	10	20	DGCD	
Cc1cc2cc(CNCc3cc4c(cc3O)OCO4)ccc2[nH]1	796528056	OGULDHLKHJBZGV-UHFFFAOYSA-N	310.353	3.200	10	20	DGCD	
Cc1ccc2c(c1)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2	790989112	XXSTUVPQWKIFAR-QPJJXVBHSA-N	309.365	3.004	10	20	DGCD	
C[C@@H](N)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	70171694	GFXMCEMVCDTXPZ-ZJUUUORDSA-N	303.233	3.258	10	20	DGCD	
CCOc1ccc(CNC[C@@H](CO)CC2CCCC2)c(O)c1	798503028	BGRCJZRZKWOHDK-HNNXBMFYSA-N	307.434	3.069	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H](C)c2ncc(C(=O)O)s2)c1	1607811285	OYVNHSDMFYKYSY-VHSXEESVSA-N	306.387	3.267	10	20	DGCD	
O=C(O)[C@H]1c2ccccc2CCN1Cc1cccc(Cl)c1O	1601869458	WFZLHVZFYPHRJA-OAHLLOKOSA-N	317.772	3.230	10	20	DGCD	
Cc1ccccc1-n1cc(CNCCc2ccc(N)cc2)cn1	1579785208	DJEJPZDQBDUSHU-UHFFFAOYSA-N	306.413	3.095	10	20	DGCD	
CCN(C(=O)/C=C\c1scnc1C)c1ccccc1C(=O)O	1596134138	UNUIXQYFHQBQBA-HJWRWDBZSA-N	316.382	3.216	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)cc1	107797450	QSUDDCKHCNWSHY-UHFFFAOYSA-N	309.457	3.037	10	20	DGCD	
CCN(CC)[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	173466609	RILMSRNNTAAPBH-INIZCTEOSA-N	320.477	3.311	10	20	DGCD	
CCc1nnc2ccc(NCc3ccc(N(CC)CC)cc3)nn12	171944901	DWZAETIQZQIJFB-UHFFFAOYSA-N	324.432	3.145	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2cccc(F)c2)cc1F	121738671	XZSZCVDYUFCVMV-UHFFFAOYSA-N	306.312	3.048	10	20	DGCD	
COc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)cc1	186837338	MGUIFNOJNQLEGI-HNNXBMFYSA-N	313.353	3.084	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](c2ccc(F)cc2)c2ncc[nH]2)cc1	187705671	WFLQJLYTSZCJQL-SFHVURJKSA-N	324.403	3.494	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@H](C)c2cc(Cl)ccc2O)cc1	184948127	IOQGGPVYOUMVAS-DIFFPNOSSA-N	321.804	3.438	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])c1	78659412	DRGWCVRMQMQSIF-SNVBAGLBSA-N	303.318	3.186	10	20	DGCD	
C[C@H](NC1CCN(C)CC1)c1ccc(Cl)c(Cl)c1O	184897617	LASSWPWYBXYFJT-VIFPVBQESA-N	303.233	3.444	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	46983834	NWIUSZCRESKOOV-HNNXBMFYSA-N	301.434	3.228	10	20	DGCD	
CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1O	83171169	XCGNXWRNRMPFPD-UHFFFAOYSA-N	313.313	3.074	10	20	DGCD	
COc1cccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1O	367687360	QJOVPEISUHOHCS-CABCVRRESA-N	305.418	3.039	10	20	DGCD	
COc1ccc(N2CCC(NCCCOC(C)C)CC2)cc1	368444658	CDEMRGFKFVZFOF-UHFFFAOYSA-N	306.450	3.069	10	20	DGCD	
COc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1OC	273470845	JSAXNCMFLQFKSN-SNVBAGLBSA-N	318.329	3.491	10	20	DGCD	
C[C@H](NC[C@H](O)CCc1ccccc1)c1cc(F)ccc1O	273418552	IYWMACVZZCKONG-XJKSGUPXSA-N	303.377	3.176	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2c(C)cc(C)cc2O)[C@@]12CCCO2	285394046	WVUFQYIHZVLISX-XZKMEQPCSA-N	319.445	3.386	10	20	DGCD	
CCOc1cccc(CNC[C@H](Cc2ccccc2)OC)c1O	294768184	JWDUSMMTDPBFGZ-KRWDZBQOSA-N	315.413	3.138	10	20	DGCD	
C[C@H](CO)N(Cc1cc(Cl)cc(F)c1O)CC1CCC1	809665517	VGOADMBQXFPUON-SNVBAGLBSA-N	301.789	3.168	10	20	DGCD	
COc1ccc(O)c(CN2CCCN(C)c3ccc(F)cc32)c1	809786060	NLXGSXNZAWMCQW-UHFFFAOYSA-N	316.376	3.386	10	20	DGCD	
FC1(F)CCC(CNCc2ccc(N3CCOCC3)cc2)CC1	800294056	VCJGZQAMXHODKU-UHFFFAOYSA-N	324.415	3.438	10	20	DGCD	
COCC1(CNCc2cc(OC)c(OC)cc2O)CCCCC1	290375203	ATTQXYHUJGPYCO-UHFFFAOYSA-N	323.433	3.096	10	20	DGCD	
Cc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1	807834603	OWTBOCRCTYWOKC-UHFFFAOYSA-N	311.168	3.332	10	20	DGCD	
Cc1cc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)no1	800502360	AQKNIYYCGVNEIH-CABCVRRESA-N	315.417	3.231	10	20	DGCD	
O=C(CC[C@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1O	807839041	GJZUWSSYBGKPIP-LLVKDONJSA-N	318.200	3.274	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2nc(C)c(C)o2)cc1	299267032	KADVMANHVPJKDJ-UHFFFAOYSA-N	316.405	3.459	10	20	DGCD	
COCCC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	807839883	SXTUWFGEMDJVII-UHFFFAOYSA-N	318.200	3.132	10	20	DGCD	
CCC[C@@H]1C[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1	817958927	MUIGZYMKEDKGPC-TZMCWYRMSA-N	315.442	3.235	10	20	DGCD	
CCS[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C	727309765	MRMUUSGZKJDYMG-QGZVFWFLSA-N	320.502	3.463	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)c(C)cc2O)cc1O	825185693	QKIAOMIBAIJJIV-UHFFFAOYSA-N	307.777	3.358	10	20	DGCD	
CC(C)[C@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1	904504721	SBWHEMGJRHJOPF-DZGCQCFKSA-N	301.390	3.161	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1	739922389	JVPDAMGUVLCIAC-RLFYNMQTSA-N	318.461	3.462	10	20	DGCD	
CN1C(=O)C2(CCCC2)N[C@H]1c1cc(Cl)cc(Cl)c1O	731853116	CFEBGRSZGBDQMC-GFCCVEGCSA-N	315.200	3.072	10	20	DGCD	
CC1(C)[C@H]2CN(Cc3c(O)c(C(=O)O)cc4ccccc34)C[C@@H]21	736727555	YQFCJLZOJOAVHT-HOTGVXAUSA-N	311.381	3.331	10	20	DGCD	
COCCN(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	918671082	AHSQZYCIYNOIHA-UHFFFAOYSA-N	300.402	3.121	10	20	DGCD	
CCOc1ccc(CN2CC[C@H](Oc3ccccc3)C2)c(O)c1	843416749	VWMRJDASJWJJSM-SFHVURJKSA-N	313.397	3.444	10	20	DGCD	
CCN(C(C)=O)c1ccc(NCc2ccc(N(C)C)cc2)cn1	849347076	PTGVZHNQLCVNHY-UHFFFAOYSA-N	312.417	3.133	10	20	DGCD	
CCOc1ccc(O)c(CN2C[C@@H](C)OC3(CCCC3)C2)c1	843435897	ZQQHQJUDNOQJFK-CQSZACIVSA-N	305.418	3.324	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)OCC(F)(F)F	840929992	FJWHNXURLCKQQD-LLVKDONJSA-N	318.339	3.281	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=S)NC1CCC1	840868506	GLLIHPQCNDHRQN-ZDUSSCGKSA-N	305.491	3.009	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@H]2CC(C)(C)C)c1O	846025776	LLFJIUMPFSRONW-NWDGAFQWSA-N	308.378	3.223	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](C)[C@H]1C	842177512	IBDBTHBVSZMQMX-AGIUHOORSA-N	307.413	3.078	10	20	DGCD	
CCc1cccc(CNC[C@H]2COC3(CCCCC3)O2)c1O	848901350	YDWPUBDCEOVWGP-INIZCTEOSA-N	305.418	3.120	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)ccc1N	850779651	YDPJYTPKPNEDIC-UHFFFAOYSA-N	324.428	3.281	10	20	DGCD	
COc1cc(CNC[C@H]2CCC[C@H](O)C2)c(O)c(C(C)(C)C)c1	850155608	DOWLJLFTLOBSEU-ZFWWWQNUSA-N	321.461	3.339	10	20	DGCD	
OC[C@@H](NCc1ccccc1O)c1ccccc1C(F)(F)F	922984535	LZSZQGWUKUARNH-CQSZACIVSA-N	311.303	3.234	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CC[C@H](SC)C2)c1	756610538	PGTTWKVDGNUNSK-UHTWSYAYSA-N	309.431	3.114	10	20	DGCD	
C[C@@H](NCCc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1O	756364015	RMDALXRUWLUHKF-SNVBAGLBSA-N	321.323	3.292	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H]2C[C@H]2C1	862220760	ZUKJRNLJRISYER-HOTGVXAUSA-N	322.408	3.389	10	20	DGCD	
CCCN(C)C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	769506120	ATVQBAWNTNGSMX-MRXNPFEDSA-N	307.457	3.055	10	20	DGCD	
Cc1ccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1	868515298	KJDOUIJMJATLKF-CYBMUJFWSA-N	301.390	3.214	10	20	DGCD	
C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1ccc(N2CCCC2)cc1	1117630220	PNDDIFRFKILZNM-YLJYHZDGSA-N	313.489	3.345	10	20	DGCD	
COc1cc(CN2CCC[C@H]2c2cn(C)nc2C)c(O)cc1C	768462749	DEFVPYFZCKZRPP-INIZCTEOSA-N	315.417	3.088	10	20	DGCD	
CN(C)c1ccc(CNc2ccccc2C[S@@](C)=O)cc1F	762556389	QGXUAMSSWCTWGH-JOCHJYFZSA-N	320.433	3.382	10	20	DGCD	
Cc1cc(C)c(NC(=O)CNCc2c(C)cccc2O)c(C)c1	877142568	SRCVDDJGOFWREN-UHFFFAOYSA-N	312.413	3.354	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CC1(Cl)Cl	774753780	OHDZECOZWXOGOG-JTQLQIEISA-N	301.217	3.145	10	20	DGCD	
C[C@@H](NCC(=O)c1ccccc1F)c1ccc(N(C)C)cc1	878454864	JTGJSBCBYAYCHR-CYBMUJFWSA-N	300.377	3.425	10	20	DGCD	
Oc1ccccc1CN1CCCN(CC2CCCCC2)CC1	770509561	OIKTYANHYKDQPR-UHFFFAOYSA-N	302.462	3.480	10	20	DGCD	
CCOC(=O)C[C@@](C)(NCc1cc(C)c(C)cc1O)C(C)C	775373220	AWZLBQNUXMYEJV-GOSISDBHSA-N	307.434	3.467	10	20	DGCD	
C[C@@H](NC(=O)c1ccncc1Cl)c1ccc(N(C)C)cc1	773014385	IMSNIFZZNGZAAG-LLVKDONJSA-N	303.793	3.292	10	20	DGCD	
CCC(C)(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774480466	CCYIKESFWSLIGM-UONOGXRCSA-N	305.466	3.097	10	20	DGCD	
Cc1cnc(C(=O)NCCCSc2nccs2)c(C)c1	780509988	DRVFJSYXCVVIJM-UHFFFAOYSA-N	307.444	3.067	10	20	DGCD	
CCN(CC)c1ccc(CN(C[C@@H](C)C(=O)OC)C2CC2)cc1	780892793	KDVSHGZZYSWKIU-OAHLLOKOSA-N	318.461	3.306	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](c2ccnn2C)C(C)C)cc1C	788074019	BIINATGQVJYPPZ-MRXNPFEDSA-N	301.434	3.272	10	20	DGCD	
CCn1ncnc1CN(Cc1ccccc1O)C1CCCCC1	785692704	HPVYYURMLJTQJS-UHFFFAOYSA-N	314.433	3.339	10	20	DGCD	
C[C@H](CCO)N(C)Cc1cc(Cl)cc(Br)c1O	895149903	UHPHCNNYLQVHCY-MRVPVSSYSA-N	322.630	3.011	10	20	DGCD	
COc1ccc(CN2CC[C@@H](OCCC(C)C)C2)c(O)c1OC	895491122	FXGHZNRTGVADFL-OAHLLOKOSA-N	323.433	3.046	10	20	DGCD	
CCCC[C@@H](CC)CNC(=O)NCc1ccc(OC)cc1O	792761862	IPYAIYVZSJIXCH-CYBMUJFWSA-N	308.422	3.416	10	20	DGCD	
C[C@H](NC[C@@H](O)c1ccco1)c1cccc(C(F)(F)F)c1O	798179479	BTFYNIANOTZDLD-JOYOIKCWSA-N	315.291	3.388	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNc1ccc(-n2nccn2)cc1	790976631	VKQOCIFDIYQTGP-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
CC[C@@H](NCc1ccc(C(=O)NC)cc1)c1ccc(F)cc1O	796696809	TVBUTBAFJYDGJZ-MRXNPFEDSA-N	316.376	3.132	10	20	DGCD	
CC1CCN(c2ccc(CNC3CCC(O)CC3)cc2)CC1	796766036	XQGJMDBHMJPLCN-UHFFFAOYSA-N	302.462	3.316	10	20	DGCD	
COc1cccc(O)c1CNc1cccc2c1OCC[C@@H]2OC	790486549	QFPYNYDVQHUDDY-KRWDZBQOSA-N	315.369	3.483	10	20	DGCD	
CCN(CC)c1ccc(/C=C/c2ccncc2-c2nn[nH]n2)cc1	1604288032	HMQGMXWWAKMRFE-VMPITWQZSA-N	320.400	3.278	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C(=O)O)c2cccs2)cc1Cl	1600286822	WUZUZTMPFSBRIT-ZDUSSCGKSA-N	311.790	3.331	10	20	DGCD	
COC(=O)c1cc(NC(=O)N(C)c2ccc(N)cc2)c(C)s1	1578859187	HLLKTWKIELOBLL-UHFFFAOYSA-N	319.386	3.094	10	20	DGCD	
O=C(O)[C@@H]1C[C@H](NCc2cc(F)cc(F)c2O)c2ccccc21	1574650447	RRERBUHPHNXYLG-HIFRSBDPSA-N	319.307	3.073	10	20	DGCD	
O=C(O)[C@H](NCc1ccc(Cl)cc1O)c1ccc(F)cc1	1594842245	BGLYTVNAYOAPQC-CQSZACIVSA-N	309.724	3.100	10	20	DGCD	
COCC1CCN(Cc2cccc(Br)c2O)CC1	156034167	WTYDZOQEQXITEP-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
CC[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@H](C)O1	707140240	OONJAKYWLBGTQH-GHMZBOCLSA-N	314.223	3.154	10	20	DGCD	
CCc1nnc(CN(c2ccc(OC)cc2)[C@H](C)C2CC2)o1	109774428	ZZLYHLGQINRWID-GFCCVEGCSA-N	301.390	3.446	10	20	DGCD	
Oc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1O	174418835	XHJHDGUINCCCAL-UHFFFAOYSA-N	301.733	3.307	10	20	DGCD	
CC(C)[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1	305110921	FYZMSSHPSUMMDN-LJQANCHMSA-N	320.452	3.311	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CCCO[C@H]2CC(C)C)cc1OC	187679523	XEKDZUYPUSPJIM-ZBFHGGJFSA-N	323.433	3.093	10	20	DGCD	
CCCN(Cc1ccc(C(=O)NC)cc1)Cc1ccccc1O	66873577	RQYHPGVZHSAJOI-UHFFFAOYSA-N	312.413	3.164	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(F)cc2)c1	171720574	JWROSJAABDAMJA-LLVKDONJSA-N	318.348	3.100	10	20	DGCD	
Cc1cc(F)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1F	183432315	IZTYXCWSGUXDJP-JTQLQIEISA-N	321.323	3.045	10	20	DGCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cccc(F)c1	192155589	VLGGDJXZVDHQAH-UHFFFAOYSA-N	313.375	3.054	10	20	DGCD	
Cc1cc(C(=O)NC[C@H](C)O)c(C)n1-c1ccc(C(C)C)cc1	97178139	LZESYZKXHXLEEA-AWEZNQCLSA-N	314.429	3.328	10	20	DGCD	
C[C@@H](N1CCN(Cc2cc(Cl)ccc2O)CC1)C(F)(F)F	93883013	ZQNGFRFNVRDGRJ-SNVBAGLBSA-N	322.758	3.114	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1	246794273	RVSRLBJDMCPUOF-DVZHBHJUSA-N	318.417	3.025	10	20	DGCD	
CS[C@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	269957335	ZPIDOTANBDWYLU-CYBMUJFWSA-N	321.490	3.178	10	20	DGCD	
COCCC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	272121971	SMMDSTMOLRXTHO-HNNXBMFYSA-N	318.461	3.306	10	20	DGCD	
COc1ccc(CNCc2c[nH]nc2-c2ccc(C)cc2)c(O)c1	373485202	YXHTUCAOONRPKJ-UHFFFAOYSA-N	323.396	3.389	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2COc3ccccc32)cc1F	288406858	AFTCKKLPVQKTSE-AWEZNQCLSA-N	300.377	3.158	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H](CO)Cc2ccc(F)cc2)c(O)c1	284975049	FWEVTFBMXSXRGN-WMLDXEAASA-N	317.404	3.402	10	20	DGCD	
O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cc(O)cs1	800700556	JZQXUXPGUPZDLX-UHFFFAOYSA-N	318.373	3.437	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1	290387328	INHAIHAGXHRWBM-OAHLLOKOSA-N	301.390	3.078	10	20	DGCD	
CN1CCN(c2ccc(CN3CC(C)(C)[C@H]3C3CC3)cc2)CC1	811513968	XYSSTQNARPQMGT-LJQANCHMSA-N	313.489	3.059	10	20	DGCD	
CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C1CC1	811513843	SGICBWBTWREUBM-SFHVURJKSA-N	318.436	3.283	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C(=O)O)c1ccccc1F	901751060	UAFZLQZWZFUMMP-QGZVFWFLSA-N	316.376	3.116	10	20	DGCD	
Cc1cccc([C@H](O)CNCCCSc2nccs2)c1	905109908	KBZDPHVCSCMBAH-CQSZACIVSA-N	308.472	3.257	10	20	DGCD	
C/C(=C/C(=O)N1CCCc2c(C)ccc(F)c21)c1cnccn1	839281955	GTEDPWMTPXMWKN-RAXLEYEMSA-N	311.360	3.307	10	20	DGCD	
C[C@@H](NC[C@@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1O	834881835	BQCWQSQYYQOYLE-CHWSQXEVSA-N	320.389	3.300	10	20	DGCD	
CCN(CCSC)Cc1ccc(N2CCC(OC)CC2)cc1	743272269	SPEZOOHDVYXANC-UHFFFAOYSA-N	322.518	3.487	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC2(C)C)cc1F	747583565	ZRZIUVWMIXNMID-UHFFFAOYSA-N	307.413	3.366	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](C)N2CCCC[C@H]2C)c1O	846139865	VYEYPRYOEJJXGZ-ILXRZTDVSA-N	306.450	3.314	10	20	DGCD	
Cc1nc(NCc2ccc(N3CCOCC3)cc2)sc1C	741751180	UXMFTMBOSQILLS-UHFFFAOYSA-N	303.431	3.209	10	20	DGCD	
CC1=C(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1	747388571	BHHSFRKZRSIVAW-UHFFFAOYSA-N	316.470	3.356	10	20	DGCD	
CCOc1ccc(CN2C[C@@H](C)OC3(CCCC3)C2)c(O)c1	843435919	ZQWYVIHWQJUWJK-CQSZACIVSA-N	305.418	3.324	10	20	DGCD	
CC[C@H](NCc1cccc(Br)c1O)[C@@H](O)C(C)C	840966468	FYGVANRZJIEZPT-STQMWFEESA-N	316.239	3.040	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H]2CCCC[C@@H]12	841960938	YALVSZPMWFWBRE-XOKHGSTOSA-N	301.434	3.031	10	20	DGCD	
Cn1cc(CCC(=O)NCc2ccccc2O)c2ccccc21	755771236	ZJLPKBPZUKIBGE-UHFFFAOYSA-N	308.381	3.133	10	20	DGCD	
CCON1CCC(NCc2ccc(N(CC)CC)cc2)CC1	924711245	RXIFWGHRMFDXAU-UHFFFAOYSA-N	305.466	3.038	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccccn1	751299593	NQGWQFAUVOUYNV-UHFFFAOYSA-N	315.336	3.044	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)CN2CCC(C)CC2)c1	850543128	FRMAMQOPZXEFLN-LSDHHAIUSA-N	306.450	3.172	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)[C@@H]1C[C@H]2CC[C@H]1C2	765750706	JZTJVSBERJURSD-JBLDHEPKSA-N	324.218	3.207	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@@H](C)C(=O)c2ccccc2)c1	862760278	OYOOKMUGBHYQAX-CQSZACIVSA-N	311.381	3.226	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2conc2C)cc1	864636636	QRDNSNMPYKJNBH-UHFFFAOYSA-N	301.390	3.101	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2c2cc(C)no2)c(O)cc1C	768438989	DSDWYQWYNFKRFJ-CQSZACIVSA-N	302.374	3.343	10	20	DGCD	
Cc1ccc(O)c(CN(C)c2ccc(OCCN(C)C)cc2)c1	761224351	XJTJURMDBXMSNZ-UHFFFAOYSA-N	314.429	3.277	10	20	DGCD	
CCN(CCOC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	768252592	UVLFXIXHJOAYOZ-UHFFFAOYSA-N	321.421	3.053	10	20	DGCD	
COc1ncc(/C=C/C(=O)N2CC[C@H](C)c3ccccc32)cn1	775799707	MBBGXKOLGYKTLY-GWJCSSMESA-N	309.369	3.039	10	20	DGCD	
NCc1ccc(CNCc2ccc(N3CCCC3)cc2)c(F)c1	1118294315	BIFTWBIHQULUDD-UHFFFAOYSA-N	313.420	3.174	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)CCCO)cc1	1117810374	CWFXTZGJUZWUGO-AWEZNQCLSA-N	314.429	3.233	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)c2cccc(C)c2)c1O	775057824	TVTZSFXCFOCDMX-UHFFFAOYSA-N	302.330	3.254	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccnc(C2(C)CC2)n1)c1ccccc1O	888030908	HVSBGRZTRSKNMF-LLVKDONJSA-N	312.373	3.116	10	20	DGCD	
O=C(N[C@H]1CCc2c(Cl)cccc21)c1c(F)ccc(O)c1O	789963124	IDAZQEOQHRZCQF-LBPRGKRZSA-N	321.735	3.308	10	20	DGCD	
CC[C@H](C)[C@@H](O)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	788590847	HBEZBEANPYSSOV-KWBADKCTSA-N	305.340	3.469	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CC[C@@H]2SCCS[C@H]21	883078599	WVCPLSHBJCPJEI-DYEKYZERSA-N	317.426	3.140	10	20	DGCD	
CCc1cccc(CN2CCC(C(=O)OC(C)C)CC2)c1O	895827233	IARYFLGVMPMXDP-UHFFFAOYSA-N	305.418	3.118	10	20	DGCD	
CCCCN(CCc1cnn(CC)c1)Cc1ccccc1O	794580803	FFAPVFRZFJUYNN-UHFFFAOYSA-N	301.434	3.453	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(C)c(Cl)c2F)c(O)c1	794388304	WAIMEPYRDUWWSP-UHFFFAOYSA-N	323.751	3.432	10	20	DGCD	
COc1ccc(CNC(=O)c2sccc2C2CC2)c(O)c1	794377928	RILWMAGVRWCIQC-UHFFFAOYSA-N	303.383	3.270	10	20	DGCD	
C[C@H](N[C@H]1CC[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1	798005703	YRGNKTKLZZVZNC-JVPBZIDWSA-N	300.446	3.362	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCNc1ccccc1	1251886007	LNVRDYNOOPVCBV-UHFFFAOYSA-N	311.429	3.179	10	20	DGCD	
COc1ccc(CN2CCc3cc(F)ccc32)c(O)c1OC	1333761949	JFLAKXCOGRYPAT-UHFFFAOYSA-N	303.333	3.111	10	20	DGCD	
CCN1CCN(C(=O)c2cccc3c2CCN3)c2ccccc21	1521482063	CYSTYIVYIMOCFF-UHFFFAOYSA-N	307.397	3.141	10	20	DGCD	
CC[C@](NCc1ccc(F)c(F)c1O)(C(=O)O)c1ccccc1	1605099556	GSQVSUWJXJREBF-QGZVFWFLSA-N	321.323	3.150	10	20	DGCD	
CCC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)O	1605361529	KUDDBHJKLMGBQA-INIZCTEOSA-N	314.385	3.077	10	20	DGCD	
Cc1cccc(F)c1CN[C@@H](C)c1cc(C(=O)O)ccc1O	1607855393	SAQBYXTXWBAYJW-NSHDSACASA-N	303.333	3.389	10	20	DGCD	
Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)Cc1ccc(N)cc1	1579734848	PKSCARWJGUSAMO-UHFFFAOYSA-N	314.341	3.080	10	20	DGCD	
Cc1cc(CN[C@H](C(=O)O)c2ccc(F)cc2)ccc1N(C)C	1574330220	OZMBIFYYLGJTQN-KRWDZBQOSA-N	316.376	3.116	10	20	DGCD	
CC(C)N(CCC(C)(C)C(=O)O)Cc1ccc(N(C)C)cc1	1591589728	ZMABBXNNDILVCL-UHFFFAOYSA-N	306.450	3.464	10	20	DGCD	
C[C@@H](N[C@H]1CCSC(C)(C)C1)c1cc(C(=O)O)ccc1O	1593232920	QAWGULMUHHHGGB-PWSUYJOCSA-N	309.431	3.415	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CC(C)(F)F)C(=O)O)c(C)c1	1776857131	PAUFFRMLMWRRPL-CQSZACIVSA-N	314.376	3.039	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](C)[C@@H](C(=O)O)C(C)C)ccc21	1776875116	GPNPCLNHSJHQAZ-KSSFIOAISA-N	318.461	3.294	10	20	DGCD	
C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1O	154065922	IJOLHODKAIXZIT-YJBOKZPZSA-N	324.424	3.407	10	20	DGCD	
CCN1C(=O)/C(=C/C=C\c2ccccc2[N+](=O)[O-])SC1=S	6470258	TXJSFYCYKJAIGC-ZSIOEQIDSA-N	320.395	3.372	10	20	DGCD	
CC(C)[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1	709029838	ORYJBMSINZOKEE-AWEZNQCLSA-N	314.223	3.012	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2oc(C)nc2C)cc1F	172799518	GVBTUSOHYUMTEY-UHFFFAOYSA-N	319.380	3.207	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccnc1Cl	115640495	UTGAAADCOOZOHM-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
CC(C)(C)c1[nH]ncc1/C=C1\SC(NC2CCCC2)=NC1=O	60529254	FMSQANNPBKDAMG-WQLSENKSSA-N	318.446	3.210	10	20	DGCD	
COc1cccc2c1OC[C@H](N[C@H](C)c1ccc(C)cc1O)C2	185334715	BHRHPJRVPOOGAD-UKRRQHHQSA-N	313.397	3.364	10	20	DGCD	
CCC[C@@H](CCO)CNCc1cc(Br)ccc1O	231381494	LYERCYVZUWBDFN-NSHDSACASA-N	316.239	3.043	10	20	DGCD	
CSC[C@H](CCO)N[C@@H](C)c1ccc2ccccc2c1O	185530392	HYHNYFONJJPOPT-JSGCOSHPSA-N	305.443	3.310	10	20	DGCD	
COc1cc(Cl)cc(CN(C[C@H]2CCOC2)C2CC2)c1O	184678793	GHPKQMKDSUILKR-LLVKDONJSA-N	311.809	3.055	10	20	DGCD	
CC(C)C[C@@H](CCO)CN[C@@H](C)c1ccc(F)c(F)c1O	187742359	RJDVTBMTVBUYDT-NWDGAFQWSA-N	301.377	3.366	10	20	DGCD	
CCOc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F	180959418	QFHILUSMLRSUQA-XBXARRHUSA-N	317.316	3.288	10	20	DGCD	
COCCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C	47465930	QJNWXLDFQHUGRO-UHFFFAOYSA-N	300.402	3.169	10	20	DGCD	
CC[C@H](NCCC[C@@H](C)O)c1cc(Br)ccc1O	228036695	FHDJGJNZXBPNMF-MFKMUULPSA-N	316.239	3.356	10	20	DGCD	
CCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	140937163	OVCSTCYMUPMGNK-CABCVRRESA-N	319.449	3.072	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1O	246322134	OAXSJPPVFHEHKP-IMRBUKKESA-N	306.406	3.025	10	20	DGCD	
CC(C)(C)c1nnc(CNCc2ccc3c(c2)CCO3)s1	268229569	UBGQZUXNUDQOLO-UHFFFAOYSA-N	303.431	3.060	10	20	DGCD	
CCc1nsc(NCc2cccc(Br)c2O)n1	277471025	PXZZLIDWBCFSLL-UHFFFAOYSA-N	314.208	3.181	10	20	DGCD	
c1nc([C@@H]2CCCN2Cc2ccc(N3CCCCC3)cc2)no1	371376415	YKDLFUHBEWMARD-KRWDZBQOSA-N	312.417	3.397	10	20	DGCD	
CC[C@H](N[C@@H](C)CC[S@@](C)=O)c1cccc(Cl)c1O	287667150	LZPSPIFARNIJHB-WSHAHDTKSA-N	303.855	3.243	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2O)cc1	288228933	DENUGBIGBNWXKH-QZTJIDSGSA-N	312.413	3.080	10	20	DGCD	
CCOC(=O)N1CCC(N[C@@H](CC)c2ccc(C)cc2O)CC1	280189264	SEHYTMUOKOPIJP-INIZCTEOSA-N	320.433	3.362	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCC=CCC1	635628676	POPSUHHFZSBYBU-UHFFFAOYSA-N	300.402	3.224	10	20	DGCD	
COCCCn1nccc1CN(C)c1ccc(OC)c(Cl)c1	802646826	RKDAIHOHNHSSAF-UHFFFAOYSA-N	323.824	3.218	10	20	DGCD	
CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	295656343	DNPTUIBVKVHPHL-YUELXQCFSA-N	305.418	3.361	10	20	DGCD	
COCC1(CNC(=O)N(C)Cc2ccccc2O)CCCCC1	291341255	VIHLKGFWCADEDL-UHFFFAOYSA-N	320.433	3.131	10	20	DGCD	
COc1ccc(N2CCN(CC3CC(F)(F)C3)CC2)cc1F	296747993	KJKJARYOPOINLD-UHFFFAOYSA-N	314.351	3.002	10	20	DGCD	
CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	295656332	DNPTUIBVKVHPHL-BPLDGKMQSA-N	305.418	3.361	10	20	DGCD	
C[C@@H](NC[C@@H](N)C1CC1)c1ccc(N2CCCCCC2)cc1	817965477	RKRBWKBORRVFBD-DNVCBOLYSA-N	301.478	3.455	10	20	DGCD	
OC[C@H](CNCc1ccc2ccccc2c1O)Cc1ccccc1	816538028	BQEINPVDGGELBR-KRWDZBQOSA-N	321.420	3.486	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2scnc2C(C)C)c1	825737039	QSOZDZIDIMRQOZ-JTQLQIEISA-N	320.414	3.472	10	20	DGCD	
CN(C(=O)/C=C/c1ccc(Cl)nc1)c1cnc2ccccc2n1	493294858	OEHZHQOPZASVNH-VQHVLOKHSA-N	324.771	3.354	10	20	DGCD	
CN(C)c1ccc(OC[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1	902358382	IJBKXIMNTVBOJY-OAHLLOKOSA-N	318.461	3.416	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)CC2)cc1	822197251	RVUITSVYFHHISO-CRAIPNDOSA-N	316.445	3.026	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2F)c(C)n1-c1ccccn1	839848649	NDWUAXOEOKNNDT-HZPDHXFCSA-N	315.392	3.500	10	20	DGCD	
CC[C@H](NCc1cc(Br)ccc1O)[C@H](O)C(C)C	840967161	MDVPIHLDKGKQGV-GXTWGEPZSA-N	316.239	3.040	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](CO)c2ccccc2C)c1O	846148888	UGNNKHWVRUXGLW-CJNGLKHVSA-N	301.386	3.093	10	20	DGCD	
COc1cccc([C@H]2C[C@H](NC(=O)Nc3ccc(N)cc3)C2)c1	841297157	AYPLYZWGICKRDT-SAZUREKKSA-N	311.385	3.345	10	20	DGCD	
Cn1cc(C(=O)NCc2cc(Cl)ccc2O)c(C(C)(C)C)n1	846472612	BSKFZQFBKXILOM-UHFFFAOYSA-N	321.808	3.007	10	20	DGCD	
CCn1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1	843527114	HRGYFGHUBJOFNZ-UHFFFAOYSA-N	314.433	3.020	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC=C(F)C1	840481524	KCTYSIALTKYUIA-CQSZACIVSA-N	319.424	3.261	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1CC2(CCC2)C1	844993337	VSTKASUMBYLWPV-UHFFFAOYSA-N	301.434	3.193	10	20	DGCD	
C[C@@H]1CCCC[C@H]1OCC(=O)NCc1cc(Cl)ccc1O	846476343	NQZPGTBSSPIVNT-IAQYHMDHSA-N	311.809	3.257	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1	841962206	NEQSUVVUJZTHQA-LJQANCHMSA-N	323.440	3.228	10	20	DGCD	
CC[C@@H](CCNCc1ccc(N(CC)CC)c(F)c1)C(=O)O	841820846	VPXMUALZLQDUDH-AWEZNQCLSA-N	310.413	3.262	10	20	DGCD	
C[C@@H]1C[C@H](NCCNc2ccccn2)c2c(O)ccc(F)c21	756604881	GVBUVLHJDWCEQP-YPMHNXCESA-N	301.365	3.176	10	20	DGCD	
C[C@H](NC(=O)COc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	757705749	XIKGDXAINVNRGJ-XSWJXKHESA-N	316.445	3.072	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)CC2CCCCC2)cc1F	757851950	HXRLXUMIVLWKJV-UHFFFAOYSA-N	322.424	3.309	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CCCN(CC3CC3)C2)c1	853239393	GODGBDYLXRZOSR-ZBFHGGJFSA-N	318.461	3.173	10	20	DGCD	
Clc1cccc2c1OC[C@@H]2NCc1ccc2c(c1)CCO2	757706894	PRZHKNQPAIDEKS-HNNXBMFYSA-N	301.773	3.498	10	20	DGCD	
CC[C@@H](NC)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	852796220	AKKHVMBMCGSZKA-GOSISDBHSA-N	317.477	3.070	10	20	DGCD	
Cc1cc(C(=O)OCC(=O)C2CCC2)c(C)n1-c1ccccn1	754073484	KTZFAXGAHDVALK-UHFFFAOYSA-N	312.369	3.015	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(N(C)C)cc1	850501855	QGNIKMGAKRHTHE-GHESNWTDSA-N	308.491	3.093	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCc3sccc32)c1	862758456	ZTWJJIMGEQNMKO-AWEZNQCLSA-N	301.411	3.498	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc1F	764508233	TZDCTLIYVLBCRN-GFCCVEGCSA-N	324.293	3.189	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1	769498513	JOFMJSUOQUMMLR-OAHLLOKOSA-N	321.417	3.097	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1	768979614	DHXKRYSQZWQYDX-RTBURBONSA-N	321.468	3.321	10	20	DGCD	
CCOc1ccc(CN[C@H]2CCc3cc(O)ccc3C2)c(O)c1	767728795	SGSBIBNVAYHVFJ-INIZCTEOSA-N	313.397	3.144	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1[C@H]2c3ccccc3C[C@H]21	862130040	ACQFUJGVOCNPCN-HYVNUMGLSA-N	313.784	3.248	10	20	DGCD	
Cc1c(NC(=O)N(C)Cc2ccccc2O)cnn1CC(C)C	766526041	ABXCYYBEAUYLDY-UHFFFAOYSA-N	316.405	3.217	10	20	DGCD	
CCOc1ccc(CN(C)Cc2cccc(OC)c2O)cc1	768162731	GVKAEJDLYYMQEX-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
CCCOc1ccc(CNCc2ccc(C(=O)OC)o2)cc1C	873050693	PVZRQSDOKIPXIX-UHFFFAOYSA-N	317.385	3.453	10	20	DGCD	
COC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc(N2CCCC2)cc1	1116655628	VBVZRQLDFXKFDE-CRAIPNDOSA-N	316.445	3.060	10	20	DGCD	
C[C@@H](NC(=O)N1CCCOC(C)(C)C1)c1ccc(N(C)C)cc1	776237947	KNUCGFGLEDHHKJ-CQSZACIVSA-N	319.449	3.024	10	20	DGCD	
CCOc1cccc(F)c1CNCc1cccc(OC)c1O	877525997	NYTKOFVYHBWIIV-UHFFFAOYSA-N	305.349	3.228	10	20	DGCD	
C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccc(N(C)C)cc1	775403426	IPZSHAKUYVURNS-HZPDHXFCSA-N	317.477	3.194	10	20	DGCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@H]1C[C@H](O)C1	872126984	QQAGPSZETZRFDS-ZHALLVOQSA-N	311.425	3.427	10	20	DGCD	
CN(Cc1cccc(O)c1)Cc1cc(Br)ccc1O	771935453	QLXUNHXFWRZNEJ-UHFFFAOYSA-N	322.202	3.492	10	20	DGCD	
COc1cc(Cl)cc([C@H]2NC(=O)c3cc(C)ccc3N2)c1O	877861800	CINWOZKZMRZBOT-OAHLLOKOSA-N	318.760	3.217	10	20	DGCD	
Cc1ccc(O)c(CNc2nnc(CC(F)(F)F)s2)c1	771756666	JGBRPJCJBOJJFR-UHFFFAOYSA-N	303.309	3.269	10	20	DGCD	
CC(C)N1CCC(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	775409438	FVPOVYSYQHVMPC-HNNXBMFYSA-N	317.477	3.050	10	20	DGCD	
COCCOC[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1O	788666752	SKVZDPZAYFFOOF-QWRGUYRKSA-N	321.339	3.113	10	20	DGCD	
C[C@@H](NCC1CCOCC1)c1cccc(C(F)(F)F)c1O	788586232	ZPGJVKWKKULCBN-SNVBAGLBSA-N	303.324	3.488	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc(CCO)cc2)cc1Cl	898169804	PCNTYTXCMRUONL-UHFFFAOYSA-N	305.805	3.179	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)O)c(C)n1-c1ccc(F)cc1	783631587	PYPLRKMJNFWPQV-WCQYABFASA-N	318.392	3.122	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1scnc1C1CC1	782304465	CDABDBMLIZCWMN-WQLSENKSSA-N	319.455	3.477	10	20	DGCD	
COc1ccc(CN[C@@H]2CCO[C@@H](CC(C)C)C2)c(O)c1OC	893320645	SDENPDXBEBWFDC-CABCVRRESA-N	323.433	3.093	10	20	DGCD	
C[C@H]1Cc2cc(/C=C3\SC(=S)N(C4CC4)C3=O)ccc2O1	899260401	FVZWDVUOTOAKEA-JNNKLVPLSA-N	317.435	3.374	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2occc2Br)cc1	80944349	DQZFOIRSEAIXME-UHFFFAOYSA-N	323.190	3.038	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c(O)c1	792977435	WHNDZKNXMKTGLI-IUODEOHRSA-N	320.433	3.415	10	20	DGCD	
CC[C@H](NCc1cc(C)[nH]n1)c1cc(Br)ccc1O	716451935	SBTNOHYECAKZBD-ZDUSSCGKSA-N	324.222	3.427	10	20	DGCD	
COC[C@@H]1CCCCN(Cc2c(O)ccc(Cl)c2F)C1	792175664	XOKYGTNCZZDMPQ-LLVKDONJSA-N	301.789	3.433	10	20	DGCD	
CC(=O)Nc1ccc(NCc2c(O)ccc(Cl)c2F)nc1	1326248751	KXHOHHGFLJYJBH-UHFFFAOYSA-N	309.728	3.150	10	20	DGCD	
COCc1cccc(C(=O)Nc2c(Cl)ccc3nonc23)c1	1320978642	QQKISTZEMMJFRE-UHFFFAOYSA-N	317.732	3.275	10	20	DGCD	
O=C(O)c1ccc(C(=O)CSc2ncc(Cl)s2)o1	1608871080	DNFWQJPWBMRNMT-UHFFFAOYSA-N	303.748	3.063	10	20	DGCD	
C[C@@H](NCc1ccc(C(=O)O)s1)c1ccc(N(C)C)cc1	1589131251	GFQHEAYNMVLXEV-LLVKDONJSA-N	304.415	3.363	10	20	DGCD	
CCc1ccccc1CCN(C)c1ccc(OCC(=O)O)cc1	1776979600	PKOMZJOTAKKAHG-UHFFFAOYSA-N	313.397	3.391	10	20	DGCD	
COc1cc(O)c(CN2CC[C@H](c3ccccc3)C2)cc1OC	160034929	WEWKLHCZIDRSOB-HNNXBMFYSA-N	313.397	3.399	10	20	DGCD	
COc1cc(CN2C[C@H](C)OC[C@H]2C)c(O)c(C(C)(C)C)c1	163954589	AMFCHNWXRIXEEB-OLZOCXBDSA-N	307.434	3.308	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2CCCc3sccc32)cc1	168235916	VYPGSRXLKKOQJL-OAHLLOKOSA-N	300.427	3.109	10	20	DGCD	
C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1ccccc1O	109772381	ZMUSEVIFGKCLHB-HNNXBMFYSA-N	312.413	3.044	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc(C)c(F)c2)c1O	104974686	RCMKVHXUVWEKCR-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2CCOc3cc(F)ccc32)s1	118277798	BMXMYPHAEJBVBB-HWKANZROSA-N	304.346	3.029	10	20	DGCD	
COc1cccc2c1OC[C@@H](NCc1c(O)cccc1Cl)C2	113335058	QIMVEOFXCUDSCM-LBPRGKRZSA-N	319.788	3.148	10	20	DGCD	
Cc1cc(C)cc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c1	111236076	ZVEGZZCDJARGLK-HNNXBMFYSA-N	312.413	3.468	10	20	DGCD	
Nc1ccc(CNCc2ccc(OCC(F)(F)F)cc2)cc1	1352789124	IJOKYLWOZBKQOG-UHFFFAOYSA-N	310.319	3.500	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c1	126048692	CTJBMMQCDTVMKY-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CCO)c2ccco2)cc1	184520037	IYHPROGWTBXPRO-KRWDZBQOSA-N	302.418	3.339	10	20	DGCD	
Cc1cc(Br)cc(CN2C[C@H](C)O[C@H](C)C2)c1O	124497607	DAEITPCETJIOSP-PHIMTYICSA-N	314.223	3.072	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2	184997658	VMYULVXJILNGIL-CABCVRRESA-N	314.473	3.406	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cccc(F)c3C#N)ccc21	187276984	JJVDUKRZEICCHT-UHFFFAOYSA-N	323.371	3.010	10	20	DGCD	
C[C@@H](NCCN(C)Cc1ccc(F)cc1)c1ccc(F)cc1O	185647367	LGOPBMSLGVAHHA-CYBMUJFWSA-N	320.383	3.453	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC([C@@H]3CCCO3)CC2)c1O	189119346	CMOVNBJXKAVUIB-KRWDZBQOSA-N	321.392	3.125	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccccc2F)cc1	183789624	LMLJMCJBSJOZLG-UHFFFAOYSA-N	303.333	3.014	10	20	DGCD	
COC1(CN[C@H](C)c2cc3c(cc2O)CCCC3)CCOCC1	186147042	ZIMNAAYRDNVHLJ-CQSZACIVSA-N	319.445	3.117	10	20	DGCD	
CNC(=O)c1ccc(Cl)c(NCc2cc(C)ccc2O)c1	71407652	SUXDZSMKYMSZKG-UHFFFAOYSA-N	304.777	3.326	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2ccc(F)cc2)c1	182460825	GRIHIBXKRXSIHR-LBPRGKRZSA-N	305.349	3.270	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2c(F)cc(F)cc2F)cc1	131587854	MSDYXKQZXHMTIF-UHFFFAOYSA-N	308.303	3.100	10	20	DGCD	
CCc1nn(C)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	91158292	ZPVDRWRQUDPZMA-UHFFFAOYSA-N	323.400	3.037	10	20	DGCD	
Nc1ccc(CC(=O)NCc2ccccc2OC(F)(F)F)cc1	238116563	KWRRISKRXYUNMJ-UHFFFAOYSA-N	324.302	3.026	10	20	DGCD	
Cc1ccc(C)c(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1	437025996	NCFIJGSUSJEYLL-UHFFFAOYSA-N	324.424	3.338	10	20	DGCD	
Cc1c(CNC(=O)C(=O)c2ccc(F)cc2)n(C)c2ccccc12	348669278	VDTJGRQBPVFYPW-UHFFFAOYSA-N	324.355	3.125	10	20	DGCD	
COCC[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	266885277	XLHDUWLMUBBOTR-OAHLLOKOSA-N	321.465	3.098	10	20	DGCD	
Cc1ccc([C@H](C)NC2CCC3(CC2)OCCO3)c(O)c1C	273419043	RQIWRMZOEBWWLV-AWEZNQCLSA-N	305.418	3.345	10	20	DGCD	
CC(C)(CNCc1cc(Cl)cc(Cl)c1O)CC(=O)O	277115276	AQOLFHQVJRFTKY-UHFFFAOYSA-N	306.189	3.290	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCc2c[nH]nc2C1	374541762	QCKCWHQTLRBJFZ-LLVKDONJSA-N	312.200	3.069	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H](C)C1	283536141	GTGDNVUEUVRHAA-GDBMZVCRSA-N	320.433	3.271	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNc2ccc([C@@H]3CCOC3)cc2)c1	293052596	RPHFILIAJSQOJJ-CYBMUJFWSA-N	314.341	3.416	10	20	DGCD	
CN(C)c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)cc1	298733401	UDJHUSUBQFLRCF-UHFFFAOYSA-N	312.417	3.178	10	20	DGCD	
OC[C@@H]1CCCN1Cc1ccc2c(c1)CCN2Cc1ccccc1	809551934	KVOUNWRUIAGYBI-FQEVSTJZSA-N	322.452	3.206	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@H](O)Cc2cccc(F)c2)c(O)c1	297216079	GZVCBKSSCUFABA-WMLDXEAASA-N	317.404	3.402	10	20	DGCD	
CC[C@H](C)[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	817923518	LFCWLLCZTMMHKN-NWDGAFQWSA-N	317.458	3.481	10	20	DGCD	
O=C(CCNCc1ccc(N2CC=CC2)cc1)Nc1ccccc1	819095807	VBRGPUXVMKOPEW-UHFFFAOYSA-N	321.424	3.181	10	20	DGCD	
CCOC(=O)[C@@H](NCc1ccc(N(C)C)c(C)c1)C(C)(C)C	815073661	SWRHSAOIFYROEY-MRXNPFEDSA-N	306.450	3.128	10	20	DGCD	
C[C@H](N[C@H]1CC[C@@H](CN)C1)c1ccc(N2CCCCC2)cc1	817982475	SSPHEXLSWUWDTO-JZXOWHBKSA-N	301.478	3.455	10	20	DGCD	
O=[N+]([O-])c1ccc(NC(=S)NNc2c(F)cccc2F)cc1	735625085	FFDWNLBIAJZAEU-UHFFFAOYSA-N	324.312	3.187	10	20	DGCD	
O=C(O)[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1F	900027533	YTJZVRFHYMRLCO-QGZVFWFLSA-N	315.344	3.066	10	20	DGCD	
CC(C)[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1C(C)C	836888008	IGJAKXPARQKEHI-AUDRJFNYSA-N	303.402	3.250	10	20	DGCD	
COc1ccc(N(Cc2nc([C@@H](C)OC)no2)CC2CC2)cc1	831588034	RTJMZSAVHDJYII-GFCCVEGCSA-N	317.389	3.202	10	20	DGCD	
O=C(CCCc1ccccn1)NCCCSc1nccs1	733974650	HQPZYAUCQOJWCG-UHFFFAOYSA-N	321.471	3.159	10	20	DGCD	
CN(CC(=O)Nc1ccccc1Cl)Cc1ccccc1O	731843027	NUKXMOOKMILOIU-UHFFFAOYSA-N	304.777	3.116	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCn3ccnc32)c1C	913672896	IZBALHAWFQSJGH-UHFFFAOYSA-N	320.396	3.259	10	20	DGCD	
CC[C@H](N[C@H](C)CC(=O)NC)c1ccc(Cl)c(Cl)c1O	834898925	CECOXCIRNDDCKH-KCJUWKMLSA-N	319.232	3.264	10	20	DGCD	
CCN1CC[C@@H](NCc2ccc(N(CC)CC)c(F)c2)[C@H](C)C1	742385872	ZJQUHXCEACBORD-CRAIPNDOSA-N	321.484	3.492	10	20	DGCD	
CCCCCCO[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	840415755	HVJXUUWVQUVINZ-ZIAGYGMSSA-N	323.433	3.130	10	20	DGCD	
C[C@@]1(CNC(=O)NCc2cc(Cl)ccc2O)CCCS1	845046230	WUYFTODJRHCAKT-AWEZNQCLSA-N	314.838	3.131	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC([C@@H]2CCCNC2)CC1	849350844	YQRTXLQFKPYZDK-CQSZACIVSA-N	308.853	3.257	10	20	DGCD	
O=C(O)[C@H](CNCc1cc(Cl)cc(Cl)c1O)CC1CC1	844288353	DEBYMXAMGBGUBY-JTQLQIEISA-N	318.200	3.290	10	20	DGCD	
CCC[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H](O)c1ccccc1	841296626	GPQNGLXJBVHSAD-IRXDYDNUSA-N	313.401	3.293	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(CN)c1	841303989	FYICWEGDSMEKMW-UHFFFAOYSA-N	313.401	3.295	10	20	DGCD	
CO[C@@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)C	744686322	AGFMHBQCOBPGCZ-SFHVURJKSA-N	314.429	3.495	10	20	DGCD	
CCCn1nc(C)c(C(=O)NCc2cc(Cl)ccc2O)c1C	846476755	PTOWNHBOUMIBAN-UHFFFAOYSA-N	321.808	3.199	10	20	DGCD	
C[C@@H](NCCN1Cc2ccccc2C1)c1cc(F)ccc1O	756480569	RYUCTRATTYIORA-CYBMUJFWSA-N	300.377	3.198	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H]2CCN(C3CCCCC3)C2)c1O	850538663	JQIFLJISWVTSLR-CABCVRRESA-N	318.461	3.458	10	20	DGCD	
CCn1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2O)nn1	850522269	KUWNKNWWZHCJHN-QMMMGPOBSA-N	315.204	3.161	10	20	DGCD	
Cn1cc([C@@H](NCc2cc(Cl)ccc2O)C(F)(F)F)cn1	858164739	WXKDFHZRWWDZDL-GFCCVEGCSA-N	319.714	3.172	10	20	DGCD	
C[C@@H](CCCCC(=O)O)NCc1c(O)ccc(Cl)c1F	756306133	HUDGIPPPPUQOIO-VIFPVBQESA-N	303.761	3.308	10	20	DGCD	
CC1(C)CCc2cc(/C=C3\SC(=S)NC3=O)ccc2O1	920241229	OQBOSTPHXHJNQS-WQLSENKSSA-N	305.424	3.279	10	20	DGCD	
C[C@@H](NCCc1ccccc1F)c1cc([N+](=O)[O-])ccc1O	756357906	QZAXJZJFPRRFOA-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
OC[C@H](CNCc1cc(Cl)cc(Cl)c1O)CC1CC1	850387907	CGIPPKLKIOHLMQ-JTQLQIEISA-N	304.217	3.197	10	20	DGCD	
CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cc(O)cs1	758311468	NEKROSTYLDSUKA-CYBMUJFWSA-N	316.426	3.325	10	20	DGCD	
COc1ccc(SCCC(=O)NCc2ccccc2O)cc1	769365675	QXVWVMGFFTVHHL-UHFFFAOYSA-N	317.410	3.199	10	20	DGCD	
CC[C@@H]1C[C@H](C)CN1Cc1ccc(N2CCOCC2)c(F)c1	769447610	HYJWUQNHMLUSJU-GOEBONIOSA-N	306.425	3.283	10	20	DGCD	
Oc1ccc(Cl)cc1CNCCOCC(F)(F)C(F)F	766225475	QQKDLZHHGPHUDH-UHFFFAOYSA-N	315.694	3.052	10	20	DGCD	
C[C@@H]1C[C@H](N2CCCC2)CN1Cc1ccc(N2CCCC2)cc1	1117630219	PNDDIFRFKILZNM-XLIONFOSSA-N	313.489	3.345	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC(=O)N(C(C)(C)C)C1	1116588405	FEAUNRQCHOJMJY-MCIONIFRSA-N	316.445	3.238	10	20	DGCD	
C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1ccc(N(C)C)cc1	773001260	SAUUHDZSAAOQKH-GFCCVEGCSA-N	308.385	3.120	10	20	DGCD	
CCCC(=O)N1CC[C@@H]([C@H](C)NCc2ccc(OC)c(C)c2)C1	1047680955	NZWCYMMKJXMVSN-DOTOQJQBSA-N	318.461	3.130	10	20	DGCD	
C[C@H](NC[C@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1	772979830	XABGCZXBIISTJB-DZGCQCFKSA-N	306.425	3.359	10	20	DGCD	
Cc1cc(C)c2c(c1)CN(Cc1cc3c(cc1O)OCO3)CC2	776774211	HWAOPSSVMWTVBO-UHFFFAOYSA-N	311.381	3.296	10	20	DGCD	
CN(Cc1ccccc1)[C@H]1CCN(Cc2cc(F)ccc2O)C1	779022906	KXNLGJACEULDON-SFHVURJKSA-N	314.404	3.238	10	20	DGCD	
Cc1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)nc1C	775422298	PKZKLFHRZBAWJI-UHFFFAOYSA-N	311.433	3.115	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1ccc(N2CCCC2)nc1	883071910	QWWOAHJMCLKCPO-UHFFFAOYSA-N	305.328	3.278	10	20	DGCD	
C[C@H](CCO)C1(CNCc2ccc(N(C)C)c(F)c2)CCC1	776256704	GJFJNXIVHQADLA-CQSZACIVSA-N	308.441	3.170	10	20	DGCD	
CC[C@@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O	886801664	QPAGPQJEZANUCE-ZYHUDNBSSA-N	311.731	3.400	10	20	DGCD	
CN(Cc1c(Cl)nc(Cl)n1C)c1ccc2c(c1)OCO2	780778423	HYXDBRJYOJCIFA-UHFFFAOYSA-N	314.172	3.092	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@H](C)NC(=O)C(C)C)cc1C	1133764573	JBYJKMMXPQVDFZ-CABCVRRESA-N	306.450	3.033	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cccc(Br)c2O)CS1	397957500	ZVAHSWBVYLVEAB-PSASIEDQSA-N	302.237	3.138	10	20	DGCD	
COc1ccc(CN(C)C2CCC(F)(F)CC2)c(O)c1OC	894517577	LKQDRVAQUUNGDN-UHFFFAOYSA-N	315.360	3.419	10	20	DGCD	
CCN(C(=O)c1cccc(O)c1O)[C@H](C)c1ccc(F)cc1	790744275	AMAJXWUOSPAHDR-LLVKDONJSA-N	303.333	3.460	10	20	DGCD	
Cc1ncc(C)c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	1262018425	HXQRFOBIKIMDJH-LBPRGKRZSA-N	313.405	3.042	10	20	DGCD	
C[C@]1(NCc2cc(Cl)c(F)cc2O)CCCC[C@@H]1C(=O)O	1609823235	IAFZLOCVZZNKPZ-BMIGLBTASA-N	315.772	3.308	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)c2ccccc2)c(C)c1	1776856615	PHNGXPVYYGNUGA-SFHVURJKSA-N	312.413	3.367	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](C)c1ccncc1	160625784	XMLQSQMBJJIDAM-OAHLLOKOSA-N	311.429	3.266	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C[C@@H](C)O)c2ccccc2)c1O	175626549	KCIZKKSQLNYPQS-GFCCVEGCSA-N	317.360	3.121	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@H]2CCCO2)cc1F	66841571	RSGXQZPSKVQPQG-OAHLLOKOSA-N	322.424	3.247	10	20	DGCD	
C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(N2CCOCC2)cc1	65561109	AZVDVOBXPJUUPF-JKSUJKDBSA-N	314.429	3.057	10	20	DGCD	
CCCCc1nc(CN(C)c2ccc(OC)c(OC)c2)no1	63618018	KNIAHSFWVOEXFD-UHFFFAOYSA-N	305.378	3.066	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](O)c2ccc(Cl)cc2)cc1	79064711	VCNVUAOIRISDAC-QGZVFWFLSA-N	304.821	3.229	10	20	DGCD	
CCCN(C(=O)c1cccc(O)c1O)[C@@H]1C[C@@H](OCC)C1(C)C	185719857	FEHXDIHETAJXQA-HUUCEWRRSA-N	321.417	3.154	10	20	DGCD	
Cc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1F	120901581	ZGLRNDBURKRROW-UHFFFAOYSA-N	314.360	3.239	10	20	DGCD	
CSCC[C@@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1C	77603062	GXFOZUINDPEBQS-CQSZACIVSA-N	323.506	3.344	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(C)c1F	186438634	UUGAUSKFZSANKN-GFCCVEGCSA-N	317.360	3.215	10	20	DGCD	
Cc1ccc([C@@H](C)NCCc2nn(C)c3ccccc23)c(O)c1	186474098	CTRCTRQNFBYCEM-CQSZACIVSA-N	309.413	3.481	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H]2CN2CCCC2)c1O	184684179	CCSZNJYNQSWCPV-HNNXBMFYSA-N	324.852	3.114	10	20	DGCD	
CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1	182531519	DBBHJQYRCRXNGX-GFCCVEGCSA-N	315.369	3.205	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1	135909794	DKWJSAFSEYYLCN-OAQYLSRUSA-N	324.468	3.456	10	20	DGCD	
O=[N+]([O-])c1cnc(NCc2c(O)ccc3c2CCCC3)s1	192467764	PKALWGDMVCXKEO-UHFFFAOYSA-N	305.359	3.248	10	20	DGCD	
CC(C)OCc1ccc(NC(=O)c2cccc(O)c2O)cc1	192990158	HFOYKQVABQXXFU-UHFFFAOYSA-N	301.342	3.275	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)c2ccco2)c1	528859017	FUEOKLSJDFVDRD-RYUDHWBXSA-N	303.358	3.365	10	20	DGCD	
COc1cccc(CNCc2ccccc2OC(C)C)c1O	237224720	XIEMMYGVLYXLNV-UHFFFAOYSA-N	301.386	3.478	10	20	DGCD	
CO[C@H]1CCC[C@H](C(=O)NCc2c(C)c3ccccc3n2C)C1	352078690	ALWODGLLDGIXFY-GJZGRUSLSA-N	314.429	3.308	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(-n3ccnc3)nc2)c(O)c1	363861506	WUYTXDXSEVWMEU-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
CCOc1cccc(CNC[C@]2(C)CCO[C@H]2C2CC2)c1O	375121016	NBRBFIZCCMVNRR-ROUUACIJSA-N	305.418	3.086	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CCO[C@H](CC(C)C)C2)cc1OC	271955131	CIOSQJVRUCNABB-HUUCEWRRSA-N	323.433	3.093	10	20	DGCD	
Cc1ccc([C@@H](C)NC2CCN(c3nccs3)CC2)c(O)c1	281648360	PLQRFDHUNMQLGW-CYBMUJFWSA-N	317.458	3.477	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCN2C)[C@H]1C[C@H]2CC[C@H]1O2	386936452	GPLCEBIJTICMLM-CNDLSXRNSA-N	300.446	3.115	10	20	DGCD	
CCOC(=O)c1cc(NCc2cc(C)c(C)cc2O)cn1C	809755151	GAKJQDKXJGZXMW-UHFFFAOYSA-N	302.374	3.136	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC(F)(F)F	298336878	IKBGWKXYWOQTLJ-UHFFFAOYSA-N	302.340	3.442	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)COC(C)C)CC2)cc1	800231688	GPHUQHOMTJYTPK-OAHLLOKOSA-N	306.450	3.067	10	20	DGCD	
CC[C@@H](NCc1ccc(OC)nc1OC)c1ccccc1O	290250262	UEOGKOZQWJOAIQ-CQSZACIVSA-N	302.374	3.045	10	20	DGCD	
COCCn1cc(CN[C@H](C)c2cc(Cl)cc(C)c2O)cn1	808717458	IYMTZADZSKSUNG-GFCCVEGCSA-N	323.824	3.048	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@H](C)c1cc(Cl)ccc1O	293663494	IVSSBKLFKMQWJL-VXGBXAGGSA-N	312.841	3.249	10	20	DGCD	
CCOc1cccc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1O	390164245	MRBZBIBDCOYGPO-QEJZJMRPSA-N	319.401	3.009	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@H]2CC[C@H](C(N)=O)CC2)c1O	817587453	XLISMMBIVIAMQV-JHJVBQTASA-N	324.852	3.296	10	20	DGCD	
C[C@@H](NCc1cc2ccccc2n(C)c1=O)c1ccccc1O	813882673	GVEULVMDHSDYQL-CYBMUJFWSA-N	308.381	3.095	10	20	DGCD	
CC[C@@H](NCC(F)(F)CN)c1ccc(C(F)(F)F)cc1O	817968365	QPBCFFGKFZEDCE-SNVBAGLBSA-N	312.282	3.046	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2csc(C)c2)cc1	824153306	HECKVJPQRLJQGL-UHFFFAOYSA-N	305.399	3.245	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@H](N(C)c2ccccc2)C1	827544515	CZURLGSGTUYROR-INIZCTEOSA-N	312.413	3.112	10	20	DGCD	
CCOc1ccc(CSc2ncc(C(=O)OC)s2)nc1	829681483	XNAQQIXLNXLXLR-UHFFFAOYSA-N	310.400	3.016	10	20	DGCD	
Cc1nn(C)cc1[C@@H](C)NCc1ccc(Br)cc1O	825247703	VYXCIQLMMWQLBL-SECBINFHSA-N	324.222	3.047	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3ccccc3n2)c1	728984379	PAZWZOZOBWYLDD-GFCCVEGCSA-N	322.364	3.440	10	20	DGCD	
CCOc1ccc(CNC[C@H](Cc2ccccc2)OC)c(O)c1	824589165	BRGDPIQNMNRZQV-SFHVURJKSA-N	315.413	3.138	10	20	DGCD	
CC(C)CCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	729485026	UHVDHAGGRBKUMK-UHFFFAOYSA-N	324.490	3.093	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)[C@H](C(=O)O)c1ccccc1	833694153	BQYONMASPAVBAN-HNNXBMFYSA-N	305.761	3.303	10	20	DGCD	
CO[C@@H]1COCC[C@@H]1CN[C@H](C)c1cc(Cl)cc(C)c1O	834880783	QUPWUFYQTCFZAS-LALPHHSUSA-N	313.825	3.056	10	20	DGCD	
C/C(=C/C(=O)N1CCCc2ccc(C)c(C)c21)c1cnccn1	839438649	QKZWYOMXJABWQT-KAMYIIQDSA-N	307.397	3.476	10	20	DGCD	
CN(C)c1ccc(CN(CC(=O)OC(C)(C)C)C2CC2)cc1	917073934	IMTRCDCYVWISBU-UHFFFAOYSA-N	304.434	3.059	10	20	DGCD	
CCN1C[C@@H](CNCc2cc(-c3ccccc3)ccc2O)CC1=O	846092928	KOICKMPFKJEHQQ-OAHLLOKOSA-N	324.424	3.017	10	20	DGCD	
COCC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccco1	846166495	XWJFIUSIAHFIQQ-OCCSQVGLSA-N	305.374	3.422	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCN	843486773	VOURSHIPHAPIME-OAHLLOKOSA-N	312.413	3.221	10	20	DGCD	
CO[C@@H]1CCC[C@H](CC(=O)NCc2cc(Cl)ccc2O)C1	846474679	ZCWVYOCRSMVSRV-SMDDNHRTSA-N	311.809	3.257	10	20	DGCD	
CCN(CC)c1ccc(CN(C2CCNCC2)C2CC2)cc1F	843043689	CTOLDXAMKAUEAL-UHFFFAOYSA-N	319.468	3.388	10	20	DGCD	
CCOC(=O)c1cc(CNCc2cc(Cl)ccc2O)[nH]c1C	846056788	ZQQOEZXIQRFQAD-UHFFFAOYSA-N	322.792	3.149	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](CC(=O)OC(C)C)C(C)C)c1	848927345	WCVYACXZZSDVNA-INIZCTEOSA-N	323.433	3.247	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)[C@@H](O)Cc2ccccc2)c1O	846157211	SAZTWQUGVAYBPN-ZQIUZPCESA-N	315.413	3.044	10	20	DGCD	
Cc1ccc([C@H](O)CNCc2cc(Cl)cc(Cl)c2O)o1	741262236	UWHKFWHQXXCXOL-GFCCVEGCSA-N	316.184	3.424	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)cc1	842886656	TVZINZWPAYUUST-RHSMWYFYSA-N	317.477	3.193	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=S)NCC(F)(F)F	750986987	MAPPNDDVGYNVRX-UHFFFAOYSA-N	319.396	3.011	10	20	DGCD	
C[C@H](NCc1cccc2c1OCCO2)c1ccc(F)cc1O	756705825	VSORQHXGVVBKDI-NSHDSACASA-N	303.333	3.153	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)NCc2ccc(N(CC)CC)cc2)O1	756916763	INVNFPNITXXKEF-DLBZAZTESA-N	304.434	3.107	10	20	DGCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccs1	761995833	NZIMHJROOQTDFC-UHFFFAOYSA-N	313.400	3.042	10	20	DGCD	
Oc1cccc(Cl)c1CNc1nnc([C@H]2CCCO2)s1	865296164	RINAIWWYDALWDH-LLVKDONJSA-N	311.794	3.361	10	20	DGCD	
COc1ccc2c(c1)CCCN2CN1CC2(CCCC2)CC1=O	766341182	OQEUZOALDKIWTR-UHFFFAOYSA-N	314.429	3.198	10	20	DGCD	
CCC(CC)(CN[C@@H](C)c1cc(F)cc(F)c1O)C(=O)OC	760877824	ABUBMTJCQGAWJD-JTQLQIEISA-N	315.360	3.300	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCC3CCSCC3)C2)cc1	877598487	OCJDAFITVSPGNR-MRXNPFEDSA-N	320.502	3.254	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@@H]2COC3(CCCC3)O2)cc1	774467944	FYLYALPERMOXBP-MAUKXSAKSA-N	318.461	3.479	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](NCc2cc(Cl)cc(F)c2O)CCO1	776254682	KIPMYBUXMAKXIP-JSGCOSHPSA-N	301.789	3.478	10	20	DGCD	
CCC(=O)N(C)c1ccc(NCc2c(O)cccc2OC)cc1	883310182	DGMUCVBOHRSDHJ-UHFFFAOYSA-N	314.385	3.386	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1O	788816548	SNTMPQGMKYFDFN-GARJFASQSA-N	303.324	3.487	10	20	DGCD	
CCOC(=O)[C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1F	792157342	URHZMRWOULQZKH-LBPRGKRZSA-N	315.772	3.102	10	20	DGCD	
Oc1cc(Br)ccc1CNCC[C@H]1CCCCO1	691476514	KMXBPKKMELTOAB-CYBMUJFWSA-N	314.223	3.204	10	20	DGCD	
CC(C)[C@H](CCO)NCc1ccc(N(C)C)cc1C(F)(F)F	792998207	SGEWUHNXIDWGOV-HNNXBMFYSA-N	318.383	3.268	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C	793192049	OYHDWTGATJHLQX-YXJHDRRASA-N	318.461	3.340	10	20	DGCD	
COc1ccc(CN[C@H]2Cc3ccc(Cl)cc3C2)c(O)c1	793391383	XASZQZPYPRGTFH-HNNXBMFYSA-N	303.789	3.311	10	20	DGCD	
COc1ccc(CN[C@H]2CCC[C@H](NC(=O)C(C)C)C2)cc1C	980921090	GZOMYRXVOKJTMQ-IRXDYDNUSA-N	318.461	3.177	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@]1(N(C)C)CCSC1	1320118881	SXJRVIJUUBIIFR-LBTNJELSSA-N	320.502	3.276	10	20	DGCD	
Cc1cc(C)c(NC(=O)CN(C)Cc2ccc(N)cc2)c(C)c1	1334754833	SQANLPUBEOCFPW-UHFFFAOYSA-N	311.429	3.265	10	20	DGCD	
CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cc(C(=O)O)ccc1O	1604983771	MVZUOTGZAKAFKF-WPRPVWTQSA-N	305.296	3.472	10	20	DGCD	
COc1cc(CN(CC(=O)O)C2CCC2)c(O)c(C(C)(C)C)c1	1594055783	BCMCMDYCQLOTKQ-UHFFFAOYSA-N	321.417	3.137	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cc(C(=O)O)cs1	1598519195	KAKUIZPKQRSNRO-UHFFFAOYSA-N	304.415	3.144	10	20	DGCD	
C[C@H]1CCC[C@@]1(NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1776636687	ZYGZVNVOMZQTSU-RTHLEPHNSA-N	318.200	3.432	10	20	DGCD	
CCN(C)c1ccc(CN[C@H]2C[C@@H](CCC(=O)O)C2)c(C)c1	1776856458	OYVCJTHJQQMCAH-FZNQNYSPSA-N	304.434	3.184	10	20	DGCD	
CC[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(N)cc1	841297198	CEZTXERISNEDMN-KRWDZBQOSA-N	313.401	3.074	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1O	174662915	WILKPEFQJKEELE-NSHDSACASA-N	319.405	3.322	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cccnc1Cl	175026141	CYVDAWZSYUPJDL-UHFFFAOYSA-N	303.793	3.200	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1)Cc1cc(F)ccc1O	179912771	JVEXRBOXSDHCOA-UHFFFAOYSA-N	317.360	3.097	10	20	DGCD	
CCS[C@H]1CC[C@H](N(C)Cc2cc3c(cc2O)OCO3)C1	173484312	WTDHKUBPKPHWRN-STQMWFEESA-N	309.431	3.227	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3c(C)c(C)ccc3[nH]2)c1O	175930270	ZKHBMILHZISKAI-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
COc1cccc2c1OC[C@H](N[C@@H](C)c1ccc(F)cc1O)C2	185334449	DRKXQJFMCSPDFW-SMDDNHRTSA-N	317.360	3.194	10	20	DGCD	
C[C@H](Cc1cccs1)NCc1ccc(N2CCOCC2)cc1	78973765	YGRMTUNTMPUKGJ-OAHLLOKOSA-N	316.470	3.306	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NC[C@H]2CCCO2)c1O	186919326	NPAOWVWPSMTAEQ-ZYHUDNBSSA-N	314.223	3.293	10	20	DGCD	
Cc1cc(C(=O)NCc2cccs2)c(C)n1-c1ccccn1	78585541	CLQWEFROOFQWBG-UHFFFAOYSA-N	311.410	3.481	10	20	DGCD	
Cc1ccc(O)c(CNc2nnc(CCc3ccccc3)o2)c1	181766230	PTUYRCCAULPDOK-UHFFFAOYSA-N	309.369	3.481	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2)c1	185183922	UNQKZDKGQYJESV-HUUCEWRRSA-N	312.413	3.056	10	20	DGCD	
Cc1ccnc(NC(=O)NCCCSc2nccs2)c1	184060080	LUSJUUKFTZEQSU-UHFFFAOYSA-N	308.432	3.150	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc(N2CCCCC2)cc1)C(C)(C)C	136869711	XGMZCVFTWBFOPP-QGZVFWFLSA-N	318.461	3.354	10	20	DGCD	
CCCn1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1	80719628	HSPSHFWHIARIEE-UHFFFAOYSA-N	323.400	3.348	10	20	DGCD	
Cc1nc(NC(=O)NCc2ccc(N(C)C)c(F)c2)sc1C	194636348	QNLHYMXXOBNKQJ-UHFFFAOYSA-N	322.409	3.287	10	20	DGCD	
COC(C)(C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	279696447	IVARLZHQWGBUHF-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
CO[C@H](C)CCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	272916330	PEQFJSDRLHBQKI-CYBMUJFWSA-N	324.384	3.150	10	20	DGCD	
COC[C@@H](CN[C@@H](C)c1ccc(Cl)c(Cl)c1O)OC	273455805	PLUFLNBCGVPDSK-DTWKUNHWSA-N	308.205	3.011	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H](OCC3CC3)C2)c1	375298049	QQLZPSASNYVMTP-QGZVFWFLSA-N	305.418	3.182	10	20	DGCD	
CC[C@@H](NC[C@](C)(O)c1ccccc1)c1ccc(F)cc1O	286036774	KKGMESWMYUJTTE-AEFFLSMTSA-N	303.377	3.480	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3CCCCO3)cc2)CC1	283629149	HYKKGUDLBIHWQV-UHFFFAOYSA-N	317.433	3.160	10	20	DGCD	
CO[C@@H](C)CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1	804840957	SQYHEBGORLUSQS-HNNXBMFYSA-N	300.402	3.201	10	20	DGCD	
CN(c1ccc(CNCc2cn(C)cn2)cc1)C1CCCCC1	808386253	XVIARBXYJPJXDL-UHFFFAOYSA-N	312.461	3.479	10	20	DGCD	
COC1(CCN(Cc2ccccc2O)C[C@H]2CCCO2)CCC1	292909727	WWSFWZIWKYRVLK-QGZVFWFLSA-N	319.445	3.332	10	20	DGCD	
CCCCN(CCC(=O)N1CCC[C@@H]1C)Cc1ccccc1O	801598378	YMGAEVVRTFLLSC-INIZCTEOSA-N	318.461	3.395	10	20	DGCD	
C[C@H](NC[C@H]1COc2ccccc21)c1cc(F)cc(F)c1O	808727582	JJLNVZNBXKPGBU-QWRGUYRKSA-N	305.324	3.497	10	20	DGCD	
Cc1nsc(C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1	292258477	MWPVTDUVKDKYMO-UHFFFAOYSA-N	303.431	3.098	10	20	DGCD	
O=C(/C=C\c1ccc[nH]1)NCc1cc(Cl)cc(Cl)c1O	807835243	BDTNZXYTYUGRIQ-ARJAWSKDSA-N	311.168	3.357	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O	815578309	LWGFLJHDTZDPHS-NEPJUHHUSA-N	316.367	3.403	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)c3cscn3)C2)cc1	818342521	SCNKEFKIHPKGSP-KBPBESRZSA-N	317.458	3.329	10	20	DGCD	
CCN(CC)[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816483785	DVJPXBRCQIVBPV-LBPRGKRZSA-N	300.805	3.101	10	20	DGCD	
OC[C@H]1Cc2ccccc2N(Cc2c(O)cccc2Cl)C1	814169941	PSWPSUAVZMHJLR-LBPRGKRZSA-N	303.789	3.217	10	20	DGCD	
Cc1nn(C)c2nccc(NCc3ccc(N(C)C)c(F)c3)c12	817117948	PTGLQTPDTFRYOT-UHFFFAOYSA-N	313.380	3.094	10	20	DGCD	
CCc1ccc([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)o1	817942356	OLBGSHGSGHARGM-DYVFJYSZSA-N	301.434	3.259	10	20	DGCD	
C/C(=C(/F)C(=O)NCCCSc1nccs1)C1CC1	900681992	DCCVLVTWLVQAEN-LUAWRHEFSA-N	300.424	3.395	10	20	DGCD	
COc1cccc(CNC(=O)c2cccc3c2CCCC3)c1O	825703529	WOGMGZLVDHPJDZ-UHFFFAOYSA-N	311.381	3.210	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cn(C)c2ccccc12	734468071	ISQOBKAIXHYEIP-UHFFFAOYSA-N	321.424	3.483	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC=CCC1	839914129	QUTISUHVBWZUNB-CVEARBPZSA-N	300.446	3.465	10	20	DGCD	
CC(C)[C@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1	832172820	KPYYUNYIKILRTF-SFHVURJKSA-N	310.441	3.442	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1	832284353	JINLSSSKGYUQPN-ZVZYQTTQSA-N	317.477	3.085	10	20	DGCD	
CCC(CC)(CC)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	843296637	BWQQRDCOUGOWID-INIZCTEOSA-N	305.466	3.085	10	20	DGCD	
CCc1cccc(CNc2ccc(COCCO)cc2)c1O	848918285	UVNKIFKWMIJYHT-UHFFFAOYSA-N	301.386	3.076	10	20	DGCD	
C[C@@H]1CC(C)(C)CN1Cc1ccc(N2CCOCC2)c(F)c1	840970198	RDBBYBONZIRLIM-CQSZACIVSA-N	306.425	3.283	10	20	DGCD	
CCc1cccc(CN2CCC(N3CCCCC3)CC2)c1O	848880706	IZCAMFDEJGOAAP-UHFFFAOYSA-N	302.462	3.405	10	20	DGCD	
COc1cc(C)cc(CN(C)[C@@H]2C[C@@H](OC)C23CCC3)c1O	840143722	XGMYWQQADWRJCG-HZPDHXFCSA-N	305.418	3.099	10	20	DGCD	
CCCOc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1	841171750	VIGXLXKBNQKIHC-UHFFFAOYSA-N	313.401	3.422	10	20	DGCD	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCNC1	841032933	HSYAALKZYOENQK-ZJUUUORDSA-N	303.233	3.177	10	20	DGCD	
C[C@@H](N[C@H]1COc2ccccc2C1)c1cc(F)cc(F)c1O	756494846	OLZTTZMUSCQSBH-ZWNOBZJWSA-N	305.324	3.325	10	20	DGCD	
COCCOC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	926694500	XJPJNKDHEHZUAE-UHFFFAOYSA-N	321.804	3.480	10	20	DGCD	
CN(C)c1cc(F)c(CNCC[C@H]2C[C@H]3CC[C@H]2O3)cc1F	858177421	KVZSYLWRJNLQCH-XTQGRXLLSA-N	310.388	3.078	10	20	DGCD	
Cc1noc(CN(C)c2ccc(OC(C)C)cc2)c1[N+](=O)[O-]	851985109	IZYLIULBFODKSI-UHFFFAOYSA-N	305.334	3.315	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2C[C@H]2C)cc1	858486606	WWJMYQULQUUKCS-CXAGYDPISA-N	324.424	3.221	10	20	DGCD	
COc1ccc(F)c(CN[C@H](C)c2cccc(OC)c2O)c1	857081166	MMRSCFIEJJNKLV-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
Cc1ccccc1[C@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O	756638664	VQOUDIIREAYHGU-ZBEGNZNMSA-N	307.340	3.363	10	20	DGCD	
COC(=O)c1ccoc1CN1CCCCc2cc(OC)ccc21	766270920	WXWLLUXGRMZCLJ-UHFFFAOYSA-N	315.369	3.418	10	20	DGCD	
COc1ccc(C)cc1CNC(=O)N[C@H](C)c1ccccc1O	868012617	IXEYGDQAGVHNSA-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
C[C@]1(CNCc2cc(Cl)cc(F)c2O)CCO[C@@H]1C1CC1	768540591	JMOJNWIXWOTSSZ-HZPDHXFCSA-N	313.800	3.480	10	20	DGCD	
C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1ccccc1O	769686880	KFXXZXAAMXTIAA-CHWSQXEVSA-N	308.422	3.174	10	20	DGCD	
CN(C)c1cc(F)c(CN(C)[C@H](CO)c2ccccc2)cc1F	862384428	YXQDEMFGCVBMOK-GOSISDBHSA-N	320.383	3.196	10	20	DGCD	
CCOC(=O)[C@@H](NCc1cc(Cl)cc(F)c1O)C(C)(C)C	768524881	RLZBYXYIZBFJNK-CYBMUJFWSA-N	317.788	3.252	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)C(C)(C)C)cc1	769789897	RWFFSQULWRPUQQ-KRWDZBQOSA-N	314.429	3.231	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1scnc1C1CC1	779540549	RQBJXWAIKVRRMU-KXFIGUGUSA-N	302.355	3.084	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F	877538912	HTUCXPJMNVPVCH-AWEZNQCLSA-N	324.415	3.125	10	20	DGCD	
CCOc1ccc(N(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1	1119254586	ZXLBUXRWMNCYPA-CYBMUJFWSA-N	308.422	3.435	10	20	DGCD	
CC(C)(C)S(=O)(=O)CCCSc1ncc(Cl)s1	871678681	OACOHKNOGFLLHV-UHFFFAOYSA-N	313.897	3.492	10	20	DGCD	
CC(C)[C@@H]1CCN1C(=O)NCc1ccc(N2CCCC2)cc1	776038227	VWVZSOPETDFLIM-KRWDZBQOSA-N	301.434	3.227	10	20	DGCD	
CC(C)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cnn(C)c1	886518620	AKLLQXYDCIDSNU-QGZVFWFLSA-N	304.413	3.112	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(C(C)C)CC2)c1O	774910117	TUSDBIGKSGGEIN-UHFFFAOYSA-N	308.378	3.177	10	20	DGCD	
CC[C@H](C)[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	779875582	ZZSMBTIWHMUNDI-HRCADAONSA-N	318.461	3.383	10	20	DGCD	
CCOC(=O)[C@](C)(NCc1cccc(C)c1O)c1ccccc1	895895165	UZCNAFQNAAUREW-LJQANCHMSA-N	313.397	3.269	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC(C2CCOCC2)CC1	894064268	HMUXUEVYABQLSI-UHFFFAOYSA-N	311.372	3.309	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCOC(C)(C)C	796801374	HUZPDLWITJPXNZ-UHFFFAOYSA-N	320.433	3.073	10	20	DGCD	
Fc1cc(CN(CC2CC2)C2CCC2)ccc1N1CCOCC1	793396704	YDSZWUPXAQJYKZ-UHFFFAOYSA-N	318.436	3.427	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@](C)(O)CC2)c1	794672853	PWOSOJBPGFZXRS-SFHVURJKSA-N	307.434	3.132	10	20	DGCD	
CCOc1ccc(CNCCCc2cccc(C)n2)c(O)c1	796448141	KIFLRDNTZNNXBS-UHFFFAOYSA-N	300.402	3.217	10	20	DGCD	
CCN(Cc1cnc(Cl)cn1)c1ccc(OC)c(OC)c1	799129885	YENOJKPVDIBJGO-UHFFFAOYSA-N	307.781	3.174	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@H](F)C1	1326752577	OSFMEABLPIQGJF-LSDHHAIUSA-N	307.413	3.141	10	20	DGCD	
COC(=O)CN(Cc1ccc(N2CCCCC2)cc1)CC(C)C	1320506890	KIWUOJHNGJGJDE-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
Nc1ccc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)cc1	1334774789	OCPLWFMMERIERK-QGZVFWFLSA-N	302.805	3.496	10	20	DGCD	
COc1cc(O)c(CN2CC[C@@H]3CCCC[C@H]3C2)cc1OC	1337001247	PRFLRGPQNNTEQM-KBPBESRZSA-N	305.418	3.422	10	20	DGCD	
C[C@H](NC(=O)CCNc1ccccc1)c1ccc(N(C)C)cc1	1342932397	ROZCKBLKDMGVBB-HNNXBMFYSA-N	311.429	3.432	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2cc(C(=O)O)ccc2O)cc1F	1607783102	PRCKRLHINZQHAL-LLVKDONJSA-N	303.333	3.389	10	20	DGCD	
CCN(Cc1ccccc1C(=O)O)c1ccc(OC)c(OC)c1	1610002846	ISICYEPICWOGNB-UHFFFAOYSA-N	315.369	3.429	10	20	DGCD	
COc1ccc(CN[C@@H](C)CCNC(=O)C2CCCC2)cc1C	1484986307	KDBLQVNNMQAPOI-HNNXBMFYSA-N	318.461	3.178	10	20	DGCD	
COc1cccc(Cl)c1CNCc1ccc(C(=O)O)cc1O	1777380793	RTTHKXLEWARNGG-UHFFFAOYSA-N	321.760	3.042	10	20	DGCD	
CC[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1	166606526	DCUIXZLUPVLNKX-HSALFYBXSA-N	310.441	3.452	10	20	DGCD	
Cc1nc(CNCc2cc(Br)ccc2O)cs1	226036766	OTVZDAYYPAQRAY-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
COC(C)(C)C[C@H](C)NCc1cc(Br)ccc1O	174555649	PUEFKOSQBWPIFG-JTQLQIEISA-N	316.239	3.448	10	20	DGCD	
O=C(CCC1CCOCC1)NCc1c(O)ccc2c1CCCC2	174521705	OZOYULGQMOCJEE-UHFFFAOYSA-N	317.429	3.094	10	20	DGCD	
Cc1cnccc1NC(=O)NCCCSc1nccs1	121718248	CQWDUMHGUYYKRH-UHFFFAOYSA-N	308.432	3.150	10	20	DGCD	
CC(C)(O)CN(Cc1ccc(N2CCCCC2)cc1)C1CC1	189944631	QCSYGOIOCDYEDO-UHFFFAOYSA-N	302.462	3.412	10	20	DGCD	
COc1cccc([C@H](O)CN[C@@H](C)c2cc(C)ccc2O)c1	185418908	BQQCPPQKMLJQLE-SCLBCKFNSA-N	301.386	3.093	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1	125245139	GMCKZVIEWNARFS-LBPRGKRZSA-N	315.417	3.167	10	20	DGCD	
CCn1c(-c2cc(O)c(O)c(OC)c2)nc2ccc(F)cc21	182240371	IMZWEMQRIQVYIF-UHFFFAOYSA-N	302.305	3.282	10	20	DGCD	
CC[C@H](NCCCc1cn[nH]c1C)c1ccc(N(C)C)cc1	133064740	NWVJYJJRPYXGKT-SFHVURJKSA-N	300.450	3.458	10	20	DGCD	
COc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1Cl	194893983	YCAUAEXWXHUEHA-UHFFFAOYSA-N	307.733	3.321	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cc(F)ccc1Cl	134918024	QDFKUDNCIDAIAS-UHFFFAOYSA-N	324.739	3.255	10	20	DGCD	
CC[C@H](CNCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C	227716507	PCRZWQBPPKSNJE-OAHLLOKOSA-N	321.465	3.146	10	20	DGCD	
Cc1nc(NC(=O)NCc2ccc(N(C)C)cc2)sc1C	43550896	WTJJMWHHLZXYEX-UHFFFAOYSA-N	304.419	3.148	10	20	DGCD	
CC(C)[C@@H](CNCc1ccccc1O)CNC(=O)OC(C)(C)C	230950811	CMCIGFGVXKKAHH-HNNXBMFYSA-N	322.449	3.279	10	20	DGCD	
CN(c1ccc(CNC(=O)CC(C)(C)N)cc1)C1CCCCC1	237053820	ZTSMBFVPHCAYJB-UHFFFAOYSA-N	317.477	3.199	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H](C)c2ccon2)n(C)c2ccccc12	349877725	DXGGYZREJCCKOQ-LBPRGKRZSA-N	312.373	3.035	10	20	DGCD	
CCN1CCN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21	255599856	YJTDZTMPWOMDNZ-FPLPWBNLSA-N	311.360	3.107	10	20	DGCD	
OCC1CCN(c2ccc(CNC(C3CC3)C3CC3)cc2)CC1	268879629	XJBINUZGLONPFR-UHFFFAOYSA-N	314.473	3.174	10	20	DGCD	
CC[C@@H](C)[C@H](NCc1ccc(N(CC)CC)c(F)c1)C(=O)O	277242805	JHKXRRXNCYETOB-WBMJQRKESA-N	310.413	3.261	10	20	DGCD	
Cc1cc(C(=O)NCCC[C@@H](C)O)c(C)n1-c1ccc(F)cc1	279143331	OQOOVKFIRJSYFG-CYBMUJFWSA-N	318.392	3.124	10	20	DGCD	
CC[C@H](N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(C)cc1O	368446515	KYZSEFLXRUWGDU-HFTRVMKXSA-N	305.418	3.079	10	20	DGCD	
CC[C@H](NCCCOC[C@@H]1CCCO1)c1ccc(C)cc1O	280028725	HYFPYDXDIDBHFQ-RDJZCZTQSA-N	307.434	3.327	10	20	DGCD	
CC[C@H](NC[C@@H](O)c1cccc(OC)c1)c1ccc(F)cc1O	285987331	HYVXNGKZTYYXCL-FUHWJXTLSA-N	319.376	3.314	10	20	DGCD	
CC[C@H](NCc1cnnn1C)c1cc(Cl)cc(Cl)c1O	287168078	CAWIJLGNPBSBNG-LBPRGKRZSA-N	315.204	3.068	10	20	DGCD	
Cc1cc(C(=O)NCC2=CCCOC2)c(C)n1-c1ccccc1	288040247	LUFSTVGBCKKWGF-UHFFFAOYSA-N	310.397	3.171	10	20	DGCD	
COc1cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)cc1C	811792389	OHTLQGPXFNAZAP-FUHWJXTLSA-N	317.429	3.243	10	20	DGCD	
C[C@@H](N[C@@H]1CCCC[C@H]1N)c1cc(Br)ccc1O	818615030	KTMIYGRDTZEWNY-OASPWFOLSA-N	313.239	3.075	10	20	DGCD	
Cc1ccc2nc(CN(C)Cc3ccc(N(C)C)cc3)cn2c1	726981334	RNUFYUHEULJTPQ-UHFFFAOYSA-N	308.429	3.341	10	20	DGCD	
CCN(C)c1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1	815121219	SSAYZIDPBZKWAE-GOSISDBHSA-N	302.462	3.391	10	20	DGCD	
CCOc1ccc(OCC(=O)N[C@H](C)c2ccccc2O)cc1	827918519	WYMJWDWHSIMHSD-CYBMUJFWSA-N	315.369	3.047	10	20	DGCD	
CCN(CC(C)=O)C(=O)c1cc(C)ccc1-n1c(C)ccc1C	820437093	NOJSRLWONWQREL-UHFFFAOYSA-N	312.413	3.454	10	20	DGCD	
COCC[C@@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	725850854	GDBBCRGQYADUGV-CQSZACIVSA-N	321.421	3.100	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c(O)cccc2Cl)c1	729535539	SXQMQYIWXTZAEK-SECBINFHSA-N	321.760	3.251	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OCc3nc(C4CC4)nn3C)cc12	582904480	UWMJMUDHENXWHG-UHFFFAOYSA-N	310.401	3.380	10	20	DGCD	
COC[C@@H](C)Oc1ccc(CN(C)Cc2ccccc2O)cc1	824593633	RHXWJWWEIJDPAY-OAHLLOKOSA-N	315.413	3.438	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC1(CC(=O)O)CCCCC1	901499952	XOCDIRMPQYLVOX-UHFFFAOYSA-N	304.434	3.328	10	20	DGCD	
CO[C@@H]1C[C@@H](NCc2cc(Cl)cc(C(C)=O)c2O)C12CCC2	839189657	BHAKAHVSWZGGGG-HUUCEWRRSA-N	323.820	3.295	10	20	DGCD	
Cc1ccc2c(c1)N(C(=O)c1cccc3c1CCNC3)CCC2	662596503	RCYRLHAWUXTHFV-UHFFFAOYSA-N	306.409	3.234	10	20	DGCD	
CCOc1cc(CN(C)c2ccc(OC)c(OC)c2)ccc1O	839011860	QNRYOJGCQGSRIW-UHFFFAOYSA-N	317.385	3.445	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@H](O)Cc2cccc(F)c2)c1	834828803	ZYDMKXFTEUBGKP-CZUORRHYSA-N	303.377	3.094	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)OCc3cnn(C)c3)c2C)c1	917222776	JWZYACXWSZPMNR-UHFFFAOYSA-N	323.396	3.493	10	20	DGCD	
CC(C)CNC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1	917594622	GEMVRNHGCZSGHB-UHFFFAOYSA-N	305.491	3.248	10	20	DGCD	
CN(C[C@H]1CCNC(=O)CC1)c1ccc(-c2nccs2)cc1	846997740	YFVQFGSKEMXMNW-CYBMUJFWSA-N	315.442	3.163	10	20	DGCD	
CCC(N)(CC)CNCc1cc(C)cc(Br)c1O	841031430	TXLAVEYHUXKKCT-UHFFFAOYSA-N	315.255	3.070	10	20	DGCD	
COc1cc(Br)cc(CN2CCC[C@@H](F)C2)c1O	846119171	BOSIHHYWZZBTCC-LLVKDONJSA-N	318.186	3.097	10	20	DGCD	
CC[C@H](OC1CCCC1)C(=O)NCc1cc(Cl)ccc1O	846476654	OBNDPSXXZAWEGR-HNNXBMFYSA-N	311.809	3.400	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2nc(C(=O)O)cs2)cc1	846262999	WZTAXRBMKKWFBF-UHFFFAOYSA-N	306.387	3.265	10	20	DGCD	
Cc1cc(O)c(CN2C[C@@H](C(F)(F)F)O[C@H](C)C2)cc1C	744442043	DDQKJZDCSDZIMI-RISCZKNCSA-N	303.324	3.161	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](Cn2cccn2)c2ccccc2)cc1	741257566	FNEIFJRCWJNMRQ-FQEVSTJZSA-N	320.440	3.480	10	20	DGCD	
C[C@@H](NCCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1O	756442389	PIDFMXTVGUIXJO-SECBINFHSA-N	314.216	3.326	10	20	DGCD	
Cc1cc(CN2C[C@@H]3CCCC[C@]3(C(=O)O)C2)ccc1N(C)C	851708584	INBXBLCNVKKKRT-LPHOPBHVSA-N	316.445	3.138	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@H]2CCCN(CC3CC3)C2)c1	853093533	MJKDPFCXKUAYNK-MRXNPFEDSA-N	318.461	3.003	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2cn(-c3ccccc3)nn2)c1	756742835	PSWHXHNTXPPNHK-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3cc(C)ccc3O2)c1	862756446	YJTWJTHHUNEWCQ-SFHVURJKSA-N	311.381	3.019	10	20	DGCD	
Cc1nc(CCNC(=O)N[C@H](C)c2ccccc2O)sc1C	868409186	NVNUUBWEESKWHZ-LLVKDONJSA-N	319.430	3.068	10	20	DGCD	
O=C(NCc1ccccc1O)c1c2c(nc3ccccc13)CCC2	769366173	UQXFDTMKEBJSKC-UHFFFAOYSA-N	318.376	3.359	10	20	DGCD	
C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@H]2c1cc(-c2ccccc2)ccc1O	777901500	YXWDROSLVMXRIN-XVGQJIODSA-N	322.408	3.288	10	20	DGCD	
C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1Cc1ccccc1O	779105770	FJWCSVNYZVPOAW-UONOGXRCSA-N	320.433	3.222	10	20	DGCD	
CCN1CCC(N(C)Cc2cc(Cl)cc(F)c2O)CC1	775647883	GHZNEVIZXQTNMC-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
COc1ccccc1O[C@H](C)CNCc1c(C)cccc1O	877073508	LXYUKNWGPLPMCL-CQSZACIVSA-N	301.386	3.266	10	20	DGCD	
Cc1ccc(C(=O)NCC(C)(C)c2ccc(F)cc2)c(O)c1O	770484069	VOFXBXTVLXCBRV-UHFFFAOYSA-N	317.360	3.253	10	20	DGCD	
C[C@H](NCc1nccc(C(F)(F)F)n1)c1c(O)cccc1F	886625306	NEWHYVQJSKBNFM-QMMMGPOBSA-N	315.270	3.191	10	20	DGCD	
C[C@@H](CN[C@H](C)c1c(O)cccc1F)NC(=O)OC(C)(C)C	886603113	HKHZKOXYYANVLT-WDEREUQCSA-N	312.385	3.095	10	20	DGCD	
C[C@H](NC(=O)Cc1n[nH]c2ccccc12)c1ccc(N(C)C)cc1	775412554	YMEUTNNNDPRSIY-ZDUSSCGKSA-N	322.412	3.049	10	20	DGCD	
Cc1cccc(CCCn2cc(COc3ccc(N)cc3)nn2)c1	881346206	PKIPWDWHTYABMK-UHFFFAOYSA-N	322.412	3.381	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCC(c2ccccc2)CC1	789953641	XATJBSOBHXNEJK-UHFFFAOYSA-N	315.344	3.257	10	20	DGCD	
COC(=O)C1CCC(NCc2cc(Cl)c(F)cc2O)CC1	898611364	VCCJYQUECCCLCN-UHFFFAOYSA-N	315.772	3.006	10	20	DGCD	
COc1cc(Cl)cc(CN(CCN)Cc2ccccc2)c1O	390802983	SHUMQQJKLWZYMQ-UHFFFAOYSA-N	320.820	3.015	10	20	DGCD	
CCN(C(=O)c1ccc(C)c(O)c1O)c1cccc(OC)c1	780886205	PGXVNKVMRDYDNR-UHFFFAOYSA-N	301.342	3.082	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@H](n2ccnc2)C1	792166312	VAJCYSUNEFEGTP-NSHDSACASA-N	309.772	3.218	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H]2CCOC[C@@H]2C)cc1F	796497492	LOIWQBXJYDUQRM-GOEBONIOSA-N	308.441	3.434	10	20	DGCD	
CCN1CCN(c2ccc(CN[C@H]3CCC3(C)C)cc2F)CC1	793524661	IUZMGPFUHQAISW-SFHVURJKSA-N	319.468	3.246	10	20	DGCD	
CCOc1ccc(N2CCN(C3CC(OC(C)C)C3)CC2)cc1	1325501398	FJXHQJXUAOSETK-UHFFFAOYSA-N	318.461	3.163	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1	1353261979	TYIWJHRFWWPVRA-ZMSDIMECSA-N	301.434	3.427	10	20	DGCD	
CCN(C)c1ccc(CN2CCc3ccccc3[C@H]2C(=O)O)cc1	1603724154	NGXUVRIJCNVRMR-IBGZPJMESA-N	324.424	3.327	10	20	DGCD	
O=C(O)c1cnc(SCc2nccn2-c2ccccc2)s1	1602535279	ZRTMHLXNYZAYIB-UHFFFAOYSA-N	317.395	3.319	10	20	DGCD	
Cc1cc(CN(C)c2ccc(OCC(=O)O)cc2)cc(C)c1O	1600190177	CXGXWFKQZRREMJ-UHFFFAOYSA-N	315.369	3.109	10	20	DGCD	
Cc1cc(CN(C)c2ccc(OCC(=O)O)cc2)cc(Cl)n1	1607636346	SELWORSQIDTZJY-UHFFFAOYSA-N	320.776	3.143	10	20	DGCD	
Cc1cc(C)cc([C@H](NCc2cc(F)c(F)cc2O)C(=O)O)c1	1607624623	CZTPGVJYWSJCTL-INIZCTEOSA-N	321.323	3.203	10	20	DGCD	
CC[C@H](C)CC(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1	1754265529	MDHVMGKYOODBBU-ZFWWWQNUSA-N	306.450	3.034	10	20	DGCD	
CCc1cccc(CN2Cc3ccccc3[C@@H](C(=O)O)C2)c1O	1593642160	HKVUJTOGQIGHJL-KRWDZBQOSA-N	311.381	3.139	10	20	DGCD	
C[C@](NCc1ccc2c(c1)CCCO2)(C(=O)O)c1ccccc1	1593303797	FZXDLGQIMCAVOZ-LJQANCHMSA-N	311.381	3.101	10	20	DGCD	
CN(Cc1ccc(C(=O)O)c(Cl)c1)c1ccc2c(c1)OCO2	1598509364	UAUUJFLOFBPBBH-UHFFFAOYSA-N	319.744	3.403	10	20	DGCD	
CCN(CC)c1ccc(/C=C/c2ncncc2C(=O)O)cc1F	1596289050	CLJVJUNXGDLLOY-FNORWQNLSA-N	315.348	3.331	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(C(=O)O)CC[C@@H](C)C2)c(C)c1	1776856773	KSEBPTKWPYJLQX-FZKQIMNGSA-N	304.434	3.184	10	20	DGCD	
CC[C@H](NC[C@@H]1CCCO1)c1cc(Br)ccc1O	19963689	VOHFTGKOOKSNFN-AAEUAGOBSA-N	314.223	3.374	10	20	DGCD	
C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1O	154066200	IJOLHODKAIXZIT-CRAIPNDOSA-N	324.424	3.407	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(C)=O)cs2)c1	106917595	BNAANBLKILZINK-VIFPVBQESA-N	319.382	3.156	10	20	DGCD	
Cc1nn(-c2ccccc2)cc1C(=O)N(C)Cc1ccccc1O	102468405	HPDKDWDXYCYPND-UHFFFAOYSA-N	321.380	3.159	10	20	DGCD	
C[C@@H](NC1CCSCC1)c1ccc(N2CCOCC2)c(F)c1	180513301	ZHXITANKOJKDLQ-CYBMUJFWSA-N	324.465	3.209	10	20	DGCD	
CC1(CO)CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	184073780	USGSBMXMIPWHHB-UHFFFAOYSA-N	304.217	3.293	10	20	DGCD	
Cn1ccnc1C[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	182090165	KRFNRGDKDVQHRG-ZDUSSCGKSA-N	319.836	3.234	10	20	DGCD	
Cc1cc2ncc([C@@H](C)NCc3ccc(N(C)C)cc3)c(C)n2n1	120568002	OHEFYUOJSMRZOT-CQSZACIVSA-N	323.444	3.263	10	20	DGCD	
Cc1oc2ccccc2c1CNC(=O)/C=C/c1ccc(O)c(O)c1	186234421	AKQCHEZFQBYWIX-VQHVLOKHSA-N	323.348	3.482	10	20	DGCD	
C[C@H](NCC1(C)OCCO1)c1ccc(Cl)c(Cl)c1O	186212084	PQGZXZCMVNOJQW-QMMMGPOBSA-N	306.189	3.113	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)c2cccc(F)c2)c(OC)c1	132138403	APFUDGZHYSTJSJ-INIZCTEOSA-N	305.349	3.013	10	20	DGCD	
CC(C)CCOC1CCN(Cc2cc3c(cc2O)OCO3)CC1	193407814	FOCNFPXONHQFIU-UHFFFAOYSA-N	321.417	3.148	10	20	DGCD	
C[C@H](NCc1ccc([S@](C)=O)cc1)c1ccc(N(C)C)cc1	90221160	GWJRRLXDDPKBFR-RCDICMHDSA-N	316.470	3.341	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1	277351309	PJWWBJBVNHQHHA-UOVPBQLFSA-N	316.445	3.122	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1C	376938588	ZVJWQRBKWFMJLV-FQEVSTJZSA-N	322.408	3.105	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1ncnn1C(C)C	282358871	DALYHFSIOREVCI-UHFFFAOYSA-N	302.422	3.367	10	20	DGCD	
CON(C)C(=O)c1ccc(NCc2cc(C)c(C)cc2O)cc1	290925003	IUPWLZIWXVMUKS-UHFFFAOYSA-N	314.385	3.255	10	20	DGCD	
Oc1c(Cl)cccc1CNC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	290215570	RAPDRRIYANPGBE-VDQHWBOFSA-N	307.821	3.219	10	20	DGCD	
COc1cccc(CN[C@@H](C)[C@@H]2OCCc3sccc32)c1O	291765094	SASOBJFOAYFEKM-GTNSWQLSSA-N	319.426	3.254	10	20	DGCD	
CN(Cc1ccc(-c2cnn(C)c2)s1)Cc1ccccc1O	802637611	FTXPJLFWRFFMCX-UHFFFAOYSA-N	313.426	3.486	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2)cc1)C1CCN(C)CC1	396471549	XQUXJNZHALZMJS-MRXNPFEDSA-N	301.478	3.107	10	20	DGCD	
CCCC[C@@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	800333270	QQLLRRRMMFHXGQ-CQSZACIVSA-N	322.424	3.309	10	20	DGCD	
C[C@H](Nc1ccc(COCCO)cc1)c1cc(F)cc(F)c1O	818362055	OWCZWDNQFMGGDH-NSHDSACASA-N	323.339	3.352	10	20	DGCD	
CCCONC(=O)N(Cc1ccco1)Cc1ccccc1O	828262871	CFSZRLMFXQWWJV-UHFFFAOYSA-N	304.346	3.039	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCS[C@@H]1C	828524395	CALIUBLDZFDEOK-CZUORRHYSA-N	321.490	3.178	10	20	DGCD	
COc1cc(F)cc(CNCc2ccc(N(C)C)c(F)c2)c1	823736669	KDYCMLQDCYYNJU-UHFFFAOYSA-N	306.356	3.329	10	20	DGCD	
CCN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1OC	491508558	XUQOUVKTAOWHTA-HJWRWDBZSA-N	300.333	3.296	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CC2CCCCC2)C(=O)O)cc1	901771186	AITODIVYZCUUPM-KRWDZBQOSA-N	304.434	3.266	10	20	DGCD	
Oc1cccc2c1[C@H](NCC[C@@H]1COc3ccccc3O1)CC2	834685513	YNXJNBFIANJURI-HUUCEWRRSA-N	311.381	3.199	10	20	DGCD	
CCO[C@H](C)c1noc(CN(CC)c2ccc(OC)cc2)n1	736621033	QDDWQIYWHRSBJL-GFCCVEGCSA-N	305.378	3.202	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2cc(F)cc(C(C)=O)c2O)C12CCC2	831307553	CMIORVPUOCLQNW-JKSUJKDBSA-N	321.392	3.171	10	20	DGCD	
Cc1cccn2cc(CCN[C@H]3CCc4cccc(O)c43)nc12	834612488	UJHZBYXJKOAZQB-INIZCTEOSA-N	307.397	3.168	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)c(F)c2)cc1F	832378928	XDCKJHVKAUZKOS-UHFFFAOYSA-N	307.296	3.308	10	20	DGCD	
CC[C@H](C)NC(=S)N(Cc1ccccc1O)C[C@H]1CCCO1	749760682	WYCWHWWUHFYEPH-DZGCQCFKSA-N	322.474	3.046	10	20	DGCD	
COc1ccc(N(C)Cc2nc3ccccc3n2C)cc1OC	749905400	DGXFGJJXFUSHIC-UHFFFAOYSA-N	311.385	3.227	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1O	846162067	GHBRTNKMEZBPQD-NOZJJQNGSA-N	321.323	3.463	10	20	DGCD	
Cc1csc([C@H](NC(=O)Nc2ccc(N)cc2)C2CC2)n1	841299861	KZSFXVVWGSHYOU-CYBMUJFWSA-N	302.403	3.307	10	20	DGCD	
CCC[C@H](CCCCNCc1ccc2c(c1)CCO2)C(=O)O	841816427	UNAIRAUFFVESFE-OAHLLOKOSA-N	305.418	3.382	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(C(=O)OC)ccn2)cc1	917085693	XCJDRCYJBNPTHS-UHFFFAOYSA-N	313.401	3.327	10	20	DGCD	
CC[C@@H]1OCC[C@H]1N[C@H](C)c1cc(Br)ccc1O	840822736	VFTBAPHSEYATML-IUPBHXKESA-N	314.223	3.373	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CCO)c2ccccc2F)cc1F	842762040	AGOZFIYTFYUZRN-QGZVFWFLSA-N	320.383	3.244	10	20	DGCD	
CC[C@H](C)[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	746724441	GCFKIYHHWUAOGV-UONOGXRCSA-N	303.450	3.303	10	20	DGCD	
CC(C)C[C@H](C)OCCc1nc(Cc2ccc(N)cc2)no1	843161923	RBRPWGYPOPJWAA-ZDUSSCGKSA-N	303.406	3.236	10	20	DGCD	
CCc1cccc(CN[C@H](CC)COCC(F)(F)F)c1O	848916247	RHGUOTNAMWVLRB-CYBMUJFWSA-N	305.340	3.402	10	20	DGCD	
COc1cc([C@H](C)N[C@@H](C)Cc2ccc(N(C)C)cc2C)on1	926595216	HHTMVBXPGSIQKY-KBPBESRZSA-N	317.433	3.339	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1	920232371	QAHMDRZPPPVPNH-GDBMZVCRSA-N	303.450	3.378	10	20	DGCD	
COc1cccc(OC)c1CNCc1ccc2c(c1)CCCO2	922240713	RDDXKJXRSIWGJU-UHFFFAOYSA-N	313.397	3.319	10	20	DGCD	
COc1cc(CNCc2nnc(C)s2)c(O)c(C(C)(C)C)c1	850241101	SHBMOWDBEFXWBG-UHFFFAOYSA-N	321.446	3.148	10	20	DGCD	
C[C@H](N[C@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1O	850538095	VQNYVEBQBHKXGI-TVQRCGJNSA-N	323.314	3.464	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc(F)c(F)c1	759596940	WUYQXZNXUNSDCB-UTCJRWHESA-N	306.264	3.133	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]cc1C1CC1	935944621	WGCLBKBYACCNID-UHFFFAOYSA-N	305.374	3.013	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cc(C)n(C(C)C)n2)c1	861183561	LNDJZWWYSSKODY-UHFFFAOYSA-N	302.378	3.108	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)c3nn(C)cc3Cl)cc12	860835351	YEGIJPQFSUZCKT-UHFFFAOYSA-N	317.776	3.401	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)OCc2ccc(F)cc2)c1	862755467	SVRLDYFZYPHSBX-ZDUSSCGKSA-N	317.360	3.061	10	20	DGCD	
CC[C@@H](NCc1ccc(OC)c(Cn2cccn2)c1)C(F)F	873129563	RHMLDDXGFADVJG-CQSZACIVSA-N	309.360	3.073	10	20	DGCD	
COCCC(C)(C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773446628	NZVNQEBQHACXFW-CQSZACIVSA-N	321.465	3.176	10	20	DGCD	
COc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)c1	776747314	AJHIKVFSQAZFQG-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C	876657801	RRKYMOUGSWJMOR-HOTGVXAUSA-N	302.462	3.268	10	20	DGCD	
Cc1ccc(CNc2ccc(N3CCN(C)CC3)cc2)c(O)c1	876838497	KYIITHMOWRLMBZ-UHFFFAOYSA-N	311.429	3.065	10	20	DGCD	
CCCCC[C@@H](C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775830420	IEVYQERJSDSZFT-HZPDHXFCSA-N	319.493	3.488	10	20	DGCD	
CC(C)Cn1ncc(C(=O)N(C)c2ccc(N)cc2)c1C(F)F	877076965	YUKZQUUGDXBCNJ-UHFFFAOYSA-N	322.359	3.336	10	20	DGCD	
C[C@H](NC(=O)c1cccc2c[nH]nc12)c1ccc(N(C)C)cc1	775402684	FTZGQJKARDQZTE-LBPRGKRZSA-N	308.385	3.120	10	20	DGCD	
CO[C@]1(C)C[C@H](NCc2cc(Cl)cc(F)c2O)C1(C)C	776220063	JTZKJLUIMBELTR-SWLSCSKDSA-N	301.789	3.478	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCOc2ncccc2F)cc1	773083108	KEXJWHSBBOGSPB-CQSZACIVSA-N	317.408	3.406	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](CCO)C(F)(F)F)c1O	886804168	SYISSZRDXYLSGF-KWQFWETISA-N	311.731	3.318	10	20	DGCD	
COC(C)(C)CC(=O)NCc1ccc(N2CCCCC2)cc1	784938286	PTTLVOZJPXOUMD-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
C[C@H](NC[C@H]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1O	788774368	CREUKYHKKZBQJP-DCAQKATOSA-N	303.324	3.223	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC(NC2CCC2)CC1	897980632	AWUSUYFRZCXKRE-UHFFFAOYSA-N	312.816	3.291	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCc2ccc(Cl)cc21	789989448	IAVXRYQMMPZUPC-UHFFFAOYSA-N	307.708	3.093	10	20	DGCD	
COc1ccc(O)c(CNC(C)(C)COCc2ccccc2)c1	389987537	CHENQKPAAROWBL-UHFFFAOYSA-N	315.413	3.486	10	20	DGCD	
CCN(C)c1ccccc1CNCc1cc(C)cc(OC)c1O	894233439	HWQHVMOQNOGSPV-UHFFFAOYSA-N	314.429	3.455	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ncccc1Cl	794220466	GAODFIWRPCSUKI-UHFFFAOYSA-N	315.804	3.265	10	20	DGCD	
CC[C@H]1CCC[C@@H](NC(=O)NCc2ccc(OC)cc2O)C1	792957060	OPYKFKFGHROAOD-GXTWGEPZSA-N	306.406	3.169	10	20	DGCD	
COC(=O)[C@@H]1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1	792204466	ZRSQCUWWVFOMBE-KCJUWKMLSA-N	318.200	3.130	10	20	DGCD	
C/C(=C\Cl)CSCC(=O)NCc1ccc(N(C)C)cc1	797811777	PAEQWCOFVDQIDE-XYOKQWHBSA-N	312.866	3.245	10	20	DGCD	
COc1ccc(Br)c(CNCc2ccccc2O)c1	134230085	NXDAWVPHRBIZGH-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
CN(CCc1nccs1)Cc1ccc(N2CCCC2)cc1	1319964183	QVADRQHXXSQSKU-UHFFFAOYSA-N	301.459	3.418	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C/C1CC1	1324696284	QYCCBDYDVAISJY-AATRIKPKSA-N	301.434	3.250	10	20	DGCD	
CC[C@@H](C)C[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1339509752	MSSAJYJAAOAFCR-HZPDHXFCSA-N	321.484	3.492	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCCC[C@@H]2N(C)C)cc1	1338889952	YKYOIVNPXBLVJN-OALUTQOASA-N	303.494	3.495	10	20	DGCD	
Nc1ccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1	1334774178	FVKOYOPDDUGUDW-LJQANCHMSA-N	314.404	3.354	10	20	DGCD	
COc1cc(C)cc(CN2CCCC3(CCN(C)CC3)C2)c1O	1333720065	UKVZIEGLCBJFMU-UHFFFAOYSA-N	318.461	3.017	10	20	DGCD	
C[C@H]1CCCN(c2nnc(-c3sccc3O)n2CC2CC2)C1	1518342451	AURCVPOOUVWVFL-NSHDSACASA-N	318.446	3.359	10	20	DGCD	
O=C(O)[C@@H](CC(F)F)NCc1cc(-c2ccccc2)ccc1O	1608529798	GLNYVQRUARMGMB-CQSZACIVSA-N	321.323	3.257	10	20	DGCD	
C[C@@H](CNCc1c(O)cccc1Cl)NC(=O)OC(C)(C)C	227683211	RTUKARHCFFCEOM-JTQLQIEISA-N	314.813	3.048	10	20	DGCD	
C[C@@](NCc1c(O)ccc(Cl)c1F)(C(=O)O)c1ccccc1	1589128363	GUMLNEMEMQTVQW-INIZCTEOSA-N	323.751	3.274	10	20	DGCD	
O=C(O)[C@@H]1CCN(Cc2ccc(F)c(F)c2O)c2ccccc21	1594933694	HLZZYVXDBZKVBZ-GFCCVEGCSA-N	319.307	3.249	10	20	DGCD	
C[C@@H](NC1CC(C)(C)NC(C)(C)C1)c1cc(C(=O)O)ccc1O	1593208436	CDVBBBWJTUKFFP-LLVKDONJSA-N	320.433	3.050	10	20	DGCD	
COc1cc(C)c(CNc2cc(C)cc(C(=O)O)c2)c(O)c1	1599391189	KDTKWANWJJAUPP-UHFFFAOYSA-N	301.342	3.328	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2CCC[C@@H](C(=O)O)C2)c(C)c1	1776856669	BCSVNEXIQXHCSS-GDBMZVCRSA-N	304.434	3.184	10	20	DGCD	
CCC(C)(CC)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	158765712	BEFJAHOCOWCMPJ-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
CCCC[C@H](COC)N[C@H](C)c1ccc(N2CCOCC2)cc1	155329088	LDCHIDWKEYUXAS-SJLPKXTDSA-N	320.477	3.379	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCCCSc2nccs2)CC1	154643267	VAULYODKTLHWGB-LBPRGKRZSA-N	313.492	3.457	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1ncc(Cl)n1C	53134329	WBTDRFZIILHWDW-UHFFFAOYSA-N	306.841	3.162	10	20	DGCD	
COc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1	115640443	VPZWLOYSMSZBSG-UHFFFAOYSA-N	313.401	3.391	10	20	DGCD	
CC(C)(C)c1cc(CNCCOCCO)c(O)c(C(C)(C)C)c1	67697550	NBNOZOZACMIFTM-UHFFFAOYSA-N	323.477	3.086	10	20	DGCD	
CC[C@H](N[C@H](C)C(=O)NCc1ccccc1)c1ccccc1O	183316705	NZTQYPITDRMZCS-PBHICJAKSA-N	312.413	3.138	10	20	DGCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCc2ccccc2C1	180781899	ABTMRDKXSZZKOB-VDZSZVPASA-N	323.392	3.127	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccccc2F)c(C)c(C)c1O	187061230	GUFZWUIZXRAQOG-UHFFFAOYSA-N	309.362	3.257	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1ccc(O)cc1	193646536	PUXLFGCNNKIFMB-MDWZMJQESA-N	310.397	3.130	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1	320053270	LQORXSACXGSSKD-CYBMUJFWSA-N	314.385	3.459	10	20	DGCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncc(Cl)cn1	92925755	OFYMVYRWUIWEMM-AWEZNQCLSA-N	319.792	3.021	10	20	DGCD	
Cc1noc(C)c1NC(=O)NCc1ccc(N2CCCC2)cc1	264131661	YHGSAEIJHDCMSF-UHFFFAOYSA-N	314.389	3.213	10	20	DGCD	
CC[C@@H](CSC)NC1CCN(c2ccc(OC)cc2)CC1	362258207	QJSWMGKAQYAKQY-AWEZNQCLSA-N	308.491	3.395	10	20	DGCD	
C[C@H](NCCOc1ncccc1F)c1ccc(N(C)C)cc1	271554741	VMUHKGWXIOHKBN-ZDUSSCGKSA-N	303.381	3.016	10	20	DGCD	
CC(C)C[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	277394725	NSZKUZLAEOBAMF-LLVKDONJSA-N	324.808	3.244	10	20	DGCD	
COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@H]3C[C@@H]3C2)CCCC1	628520386	ONKXVWBCQBLHGG-ZIAGYGMSSA-N	324.424	3.007	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1	271302098	UMKXDXHEYUTGEC-DOTOQJQBSA-N	301.386	3.382	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c(O)c1O	276160946	FQADXFHLZNZNGM-SNVBAGLBSA-N	317.307	3.209	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1C(C)(C)C	292813695	PETAKRUQKDMTEC-UHFFFAOYSA-N	314.433	3.045	10	20	DGCD	
CC[C@@H](NCc1ccc(C(N)=O)cc1)c1cccc(Cl)c1O	806128845	POYMRLPUMZGQDB-OAHLLOKOSA-N	318.804	3.385	10	20	DGCD	
CCOC1(C)CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1	291873960	NUFJNKNSHFBHTM-UHFFFAOYSA-N	324.377	3.007	10	20	DGCD	
CCN1C(=O)/C(=C\c2ncc(CSC)s2)SC1=S	296002530	SRHKPMQWBGQBGJ-XBXARRHUSA-N	316.498	3.227	10	20	DGCD	
O=C(Nc1ccc(OC(F)F)cc1F)c1cc(O)cs1	802657666	NAXBKPPCTBRQRV-UHFFFAOYSA-N	303.261	3.447	10	20	DGCD	
CC(C)c1nnc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)[nH]1	296504544	PGALWERHDAKWNA-LBPRGKRZSA-N	314.433	3.363	10	20	DGCD	
CC(C)SCC(=O)NCc1cc(Cl)cc(Cl)c1O	807836892	SYKKKCOFQPDFFJ-UHFFFAOYSA-N	308.230	3.457	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](CO)c2ccc(Cl)cc2)cc1	808431353	RKBYRSLCVROLKC-INIZCTEOSA-N	318.848	3.272	10	20	DGCD	
C[C@H]1C[C@H](NC[C@H](O)Cc2ccccc2)c2c(O)ccc(F)c21	806167703	GFLUYATTWWXVJS-BJJXKVORSA-N	315.388	3.273	10	20	DGCD	
CC(C)(C)[S@](=O)CCNCc1ccc2ccccc2c1O	816552618	QYQMIUQXUNFCGC-OAQYLSRUSA-N	305.443	3.182	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c1	817940788	HSXVBHSSCKEOEE-KDOFPFPSSA-N	313.445	3.117	10	20	DGCD	
C[C@H](NCCCNC1CC1)c1ccc(N2CCCCC2)cc1	817983647	HIAGZEWEUSQQFH-INIZCTEOSA-N	301.478	3.470	10	20	DGCD	
CON1CCC(N[C@H](C)c2ccc(Cl)c(Cl)c2O)CC1	817588664	QUWPDJSPNNPKAG-SECBINFHSA-N	319.232	3.375	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CC[C@H]2O)c(C)n1-c1cccc(Cl)c1	819683798	CYHIVGPMCIGGAK-HZPDHXFCSA-N	318.804	3.001	10	20	DGCD	
COCCOc1ccccc1CNCc1cc(Cl)ccc1O	725847394	JUGNZVLNAUPUDM-UHFFFAOYSA-N	321.804	3.361	10	20	DGCD	
Cc1cccc(C(C)(C)CNC(=O)NCc2ccccc2O)c1	726248754	UDCMMVMIFPQJPL-UHFFFAOYSA-N	312.413	3.478	10	20	DGCD	
CN(C)c1ccc(CNC(=S)NCCc2cccs2)cc1	727693407	UVZWPRNLSMWZOL-UHFFFAOYSA-N	319.499	3.021	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)c1ccccc1	588405172	NTXSPAHZFBFRGY-PAZCZOEESA-N	311.381	3.419	10	20	DGCD	
FC(F)Oc1ccc2c(c1)CCCN2Cc1cnc2n1CCC2	825510227	XSZPOXBJOMNWQM-UHFFFAOYSA-N	319.355	3.384	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC(C)(C)C2=CCCC2)c1	838474561	MFHALISCFWYJJV-UHFFFAOYSA-N	318.417	3.337	10	20	DGCD	
CC[C@@H](N[C@H](C)Cc1cnn(C)c1)c1ccc(N(C)C)cc1	834895638	CKMCHVRHOYFPNP-RDTXWAMCSA-N	300.450	3.158	10	20	DGCD	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(O)cs2)c(F)c1	732353500	RLKBYVJLRFFNLI-VIFPVBQESA-N	323.345	3.085	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2cc(F)cc(C(C)=O)c2O)C12CCC2	831307549	CMIORVPUOCLQNW-HOTGVXAUSA-N	321.392	3.171	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCCC[C@H]1[C@H]1CCCN1	843047979	GDXYAKHFROVLAG-MOPGFXCFSA-N	301.478	3.168	10	20	DGCD	
CCOC(=O)c1cccc(N(CC)C(=O)/C=C\c2cccnc2)c1	917874856	UHXCYKFCQPLHHU-KHPPLWFESA-N	324.380	3.325	10	20	DGCD	
COCC[C@H](C)CNCc1cc(C)cc(Br)c1O	840955817	XJAVLYOACPSOJV-JTQLQIEISA-N	316.239	3.225	10	20	DGCD	
O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc2c(c1)CCO2	848526417	ZOIJTVZQAVPOKC-MRXNPFEDSA-N	310.353	3.307	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H]2COC3(CCCCC3)O2)c1O	846157116	AIQFOCRJWJLODR-KBPBESRZSA-N	321.417	3.127	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCSC1	742778685	RIIHHRREWASHJE-GFCCVEGCSA-N	306.456	3.391	10	20	DGCD	
CCOc1c(OC)cc(CNc2ccc(N)cc2)cc1OC	841039834	BTIFMAONTWMHOE-UHFFFAOYSA-N	302.374	3.297	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)nc1)c1ccc(Cl)cc1O	841745196	NNGURPWSNLKMLD-LLVKDONJSA-N	305.809	3.357	10	20	DGCD	
Oc1c(F)cccc1CN(Cc1ccccc1)[C@@H]1CCCNC1	843051766	DIZPGDRJPHDTRE-QGZVFWFLSA-N	314.404	3.286	10	20	DGCD	
CON1CCC(NCc2ccc(N3CCC(C)CC3)cc2)CC1	925012717	RISGPIJEZDDFDB-UHFFFAOYSA-N	317.477	3.038	10	20	DGCD	
CCc1nc(CCNCc2ccc3c(c2)CCCO3)cs1	921653253	GOEGLDNNCOYGHO-UHFFFAOYSA-N	302.443	3.363	10	20	DGCD	
COc1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1C	857547760	SIQSATUQVAMTEF-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2ccc(O)c(F)c2)cc1F	858143790	WKWIUCZLBOCDIR-UHFFFAOYSA-N	310.319	3.165	10	20	DGCD	
C[C@H](NC(=O)NCCCOC(C)(C)C)c1ccc(N(C)C)cc1	852261144	LRDVOHVCVVXYGW-AWEZNQCLSA-N	321.465	3.318	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)COC/C=C\c1ccccc1	764316644	HWZWBEIYADYJMV-YFHOEESVSA-N	311.381	3.081	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c(O)c1	769326336	JOFMJSUOQUMMLR-HNNXBMFYSA-N	321.417	3.097	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SC[C@@H]1CC2(CC2)C(=O)O1	761641044	HPIWTZSWXRKUKI-ZDUSSCGKSA-N	314.410	3.275	10	20	DGCD	
CCC1(CO)CCN(Cc2cc(F)c(N(C)C)cc2F)CC1	862246974	FBRFPCUQVAVBJB-UHFFFAOYSA-N	312.404	3.015	10	20	DGCD	
CCOC(CN(Cc1ccc(N(C)C)cc1)C(C)C)OCC	767759845	VIQPODANCCIBKE-UHFFFAOYSA-N	308.466	3.362	10	20	DGCD	
CN1CCCc2cc(CNC(=O)[C@@H](F)c3ccccc3)ccc21	768990745	ZYWIWOQQYJOFLF-SFHVURJKSA-N	312.388	3.396	10	20	DGCD	
COC(=O)CC1CCN(Cc2cc3c(cc2O)CCCC3)CC1	768444361	XWXQPDSCTJUWNR-UHFFFAOYSA-N	317.429	3.046	10	20	DGCD	
COc1cccc(CN[C@@H](C)[C@H](OC)c2ccccc2)c1O	877525623	JOJIZRLNOWHFNA-UGSOOPFHSA-N	301.386	3.267	10	20	DGCD	
CCSCC[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1	877063812	KPILIZYDVNIRHU-HNNXBMFYSA-N	322.518	3.269	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1O	775059033	HIUFGHFKWORFNK-NTZNESFSSA-N	308.378	3.223	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2c(F)cncc2F)cc1	874085270	JSIQJHUUQRSKQO-UHFFFAOYSA-N	319.355	3.136	10	20	DGCD	
C[C@@H](NC(=S)NC(C1CC1)C1CC1)c1ccc(N(C)C)cc1	774251539	ABSAUHICSXACLB-GFCCVEGCSA-N	317.502	3.466	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1COCc2ccccc21)c1ccccc1O	875675819	YCVNLMSRGVIDSK-WBMJQRKESA-N	312.369	3.024	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1coc2ccccc12	779521255	LSMWUGCWRGQQOO-SOFGYWHQSA-N	309.321	3.174	10	20	DGCD	
Cc1ccc(CCNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1	773196857	GNYGTGPSASZSOJ-CQSZACIVSA-N	315.417	3.257	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@@H](F)C1	1118127691	MSYGHUBNTNAHBZ-CABCVRRESA-N	307.413	3.175	10	20	DGCD	
C[C@@H](NCC[C@](C)(O)c1ccccc1)c1c(O)cccc1F	886594075	FRXQXWLICOLHKX-ACJLOTCBSA-N	303.377	3.480	10	20	DGCD	
COC[C@H](Cc1ccccc1)NCc1cccc(Cl)c1O	776232430	XNQNYZMUEUNFLA-HNNXBMFYSA-N	305.805	3.393	10	20	DGCD	
C[C@H]1CN(CCCCN[C@H](C)c2c(O)cccc2F)C[C@@H](C)O1	886548267	ZTWKNQGPTHKFPL-QLFBSQMISA-N	324.440	3.071	10	20	DGCD	
CN(C)CCCCCCCNCc1cc(F)cc(F)c1O	882924212	YHYVMJADEVFFEP-UHFFFAOYSA-N	300.393	3.272	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	789991706	ZLQFTAXGJRYLHH-GHMZBOCLSA-N	303.333	3.159	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc2c(c1)CCCO2)c1cccs1	893950610	JNYMOQWZGBWZOD-INIZCTEOSA-N	317.410	3.077	10	20	DGCD	
O=C(O)c1ccc(NCc2c(O)cccc2Br)cc1	706808615	UYJPVAKGXBOEBA-UHFFFAOYSA-N	322.158	3.465	10	20	DGCD	
C[C@@H]1CN(Cc2c(O)cccc2Br)CC(C)(C)O1	707150896	VVRJRHCEIVMCBQ-SNVBAGLBSA-N	314.223	3.154	10	20	DGCD	
COCC1(CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)CCOCC1	1324085673	BEUKXXRRYINNON-GJZGRUSLSA-N	319.445	3.282	10	20	DGCD	
CC(C)Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)F	1342856819	RMMOGEJVJVASCF-UHFFFAOYSA-N	320.412	3.481	10	20	DGCD	
Nc1ccc(CC(=O)Nc2nc3ccccc3n2CC2CC2)cc1	1341003827	DBAANVLLRJSFQO-UHFFFAOYSA-N	320.396	3.210	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC23CCCC3)c([N+](=O)[O-])c1	1601881322	QOXABLZDFVNJHK-XQRVVYSFSA-N	302.330	3.216	10	20	DGCD	
CS[C@@H]1CCC[C@@H](N[C@@H](C)c2cc(C(=O)O)ccc2O)C1	1607391349	JZJDYAGZVOEHSL-CYZMBNFOSA-N	309.431	3.415	10	20	DGCD	
Cc1scc(CN(C)c2ccc(OCC(=O)O)cc2)c1C	1600890928	WVDVTZACAMGIMM-UHFFFAOYSA-N	305.399	3.465	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C(=O)O)c2ccns2)cc1C	1776818550	LDKLYMMBXXOQHF-OAHLLOKOSA-N	320.414	3.156	10	20	DGCD	
COc1ccc(SCCC(=O)Nc2ccc(N)cc2)cc1	19231075	DTWSDXXYQKEFJN-UHFFFAOYSA-N	302.399	3.398	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc3ccccc3c2O)c1O	105652340	KSXRBXVIVKWCEZ-UHFFFAOYSA-N	323.348	3.190	10	20	DGCD	
CCN(CC)C(=O)CCC1CCN(Cc2ccccc2O)CC1	180770918	FVRBKJDWOCZCJR-UHFFFAOYSA-N	318.461	3.253	10	20	DGCD	
C[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC(C)(C)C	185217977	DJHKBUPALAPOAE-OLZOCXBDSA-N	318.461	3.225	10	20	DGCD	
CN(Cc1cc2c(cc1O)OCO2)CC1(c2ccccc2)CC1	188826444	IZJYQIKRWFCSSV-UHFFFAOYSA-N	311.381	3.285	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)Cc2ccc(O)cc2)c1	185351720	KWUXTIZIGNFHSQ-QWHCGFSZSA-N	301.386	3.388	10	20	DGCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1	192155348	AQODBYXKLLIWSX-UHFFFAOYSA-N	313.375	3.054	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1	89726495	HXPORVNVTXGLNT-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
O=C(NC1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	42115143	JHRSSSVBKRWOEN-INIZCTEOSA-N	318.417	3.025	10	20	DGCD	
CN(C)c1ccc(CN2CCC(=O)Nc3cc(F)ccc32)cc1	193433741	FPQLEFGEDZBHSK-UHFFFAOYSA-N	313.376	3.241	10	20	DGCD	
COC(=O)c1oc([C@@H](C)N(C)Cc2ccccc2O)cc1C	91619334	MPAUFGJRZFIUCB-GFCCVEGCSA-N	303.358	3.273	10	20	DGCD	
COc1ccc([C@H](CO)N(C)Cc2cc(C)c(C)cc2O)cc1	93415462	HCOKZZMAFAKCNA-SFHVURJKSA-N	315.413	3.183	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCOCC12CCC2	93510184	LTIWHUZHMZNWDP-UHFFFAOYSA-N	302.201	3.454	10	20	DGCD	
CC[C@H](NC(=O)NCc1cccc(OC)c1O)c1ccccc1	266669609	AFNFMABBYVWYNE-HNNXBMFYSA-N	314.385	3.351	10	20	DGCD	
CC(C)N1CCC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1	273604902	SZXDLRBZOVLKPJ-ZIAGYGMSSA-N	321.421	3.071	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(F)F)cc1	279815610	XUBNUOVPIVJDCB-UHFFFAOYSA-N	308.328	3.140	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(O)cc1	282498486	NEQKROYLVSZAJL-UHFFFAOYSA-N	313.397	3.469	10	20	DGCD	
Cc1cc(O)c(CNc2ccc(-c3cncnc3)cn2)cc1C	373960254	ZOGKSCZLYQIVKY-UHFFFAOYSA-N	306.369	3.473	10	20	DGCD	
CC[C@@H](N[C@@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1O	287669313	MCVAHGSYARCWAT-QPUJVOFHSA-N	319.232	3.216	10	20	DGCD	
COCCOCCCCN[C@@H](C)c1cc(Cl)cc(C)c1O	808687561	NCVAEIMAJPCDEZ-ZDUSSCGKSA-N	315.841	3.448	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)C23CCCC3)c1O	292572970	BVZUZFXFXXQTOG-OAHLLOKOSA-N	323.820	3.128	10	20	DGCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)[C@H](O)c1ccc(F)cc1	297909329	WPBWQKXIZKDYIH-POHZPAGDSA-N	301.361	3.230	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1Cc1ccccc1	299135743	FYKRZMRZIYDNCW-SFHVURJKSA-N	324.424	3.015	10	20	DGCD	
C[C@H](CNCc1ccc(N2CCOCC2)cc1)CC(F)(F)F	396980436	VKVOMMUJJULXCR-ZDUSSCGKSA-N	316.367	3.201	10	20	DGCD	
C[C@@H](NC[C@H]1NCCc2ccccc21)c1ccc(F)cc1O	817975866	YZGWWVNJTBGFNT-SJKOYZFVSA-N	300.377	3.069	10	20	DGCD	
Cn1cc([C@H](NCc2cccc(Cl)c2O)C(F)(F)F)cn1	813331262	GYGRVFANEULNPA-LBPRGKRZSA-N	319.714	3.172	10	20	DGCD	
OCC[C@@H](Cc1ccccc1)NCc1cc(Cl)c(F)cc1O	816599771	XYGWVIYBBCSUKK-AWEZNQCLSA-N	323.795	3.268	10	20	DGCD	
CC(C)CCCNC(=O)c1csc(Cc2ccc(N)cc2)n1	817913465	PLQDLKMFOAQPCD-UHFFFAOYSA-N	317.458	3.482	10	20	DGCD	
OC[C@@H](CNCc1ccc2ccccc2c1O)c1ccccc1	816554856	LAOWWFUBTFULTG-GOSISDBHSA-N	307.393	3.411	10	20	DGCD	
CC1(C)CN(Cc2cc(F)ccc2O)C[C@H](C(F)(F)F)O1	814176618	SJMCIMHPZCNIPY-GFCCVEGCSA-N	307.287	3.073	10	20	DGCD	
C[C@H](NC[C@H]1NCCc2ccccc21)c1ccc(N(C)C)cc1	817973357	DOBHJONLZKNNOC-MGPUTAFESA-N	309.457	3.290	10	20	DGCD	
Oc1c(Cl)cccc1CN[C@@H]1COc2cc(F)ccc2C1	827261092	UOEHOASEBSJHAY-ZDUSSCGKSA-N	307.752	3.278	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CC12CCSCC2)c1ccc(N(C)C)cc1	828862747	YGPZPVFSAMWYNW-CJNGLKHVSA-N	318.486	3.463	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC(OC2CCCCC2)CC1	732278994	BOYQCFJDWFVKTC-UHFFFAOYSA-N	309.431	3.408	10	20	DGCD	
COc1ccc(N(CC2CC2)C(=O)/C=C(\C)c2cnccn2)cc1	836840171	IFBGSDSWPFECQH-SDNWHVSQSA-N	323.396	3.332	10	20	DGCD	
C[C@H](NCCOC1CCSCC1)c1cc(F)cc(F)c1O	903444810	CLCSNKCWYMWOQS-JTQLQIEISA-N	317.401	3.233	10	20	DGCD	
CCCc1cc(C(=O)NCc2ccc(O)cc2O)sc1C	910957105	JBTYFKRLENGFDZ-UHFFFAOYSA-N	305.399	3.350	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2C(=O)O)ccc1N1CCCCC1	846228836	QMQQKOVAFHVCHP-QGZVFWFLSA-N	302.418	3.034	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1O	846157463	CDYYBCPZSQXPJQ-OUENDJJVSA-N	303.402	3.009	10	20	DGCD	
Cc1cnc(N(C)Cc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1	742428616	DDVBRWSAEJKYGO-UHFFFAOYSA-N	300.362	3.001	10	20	DGCD	
CCc1nc(CCNCc2ccc(N(C)C)cc2C)cs1	840932797	JSNSBROYLFZOAV-UHFFFAOYSA-N	303.475	3.412	10	20	DGCD	
CCc1cccc(CNCc2nnc(C(C)(C)C)s2)c1O	848898058	PKJSDYJSKALPSJ-UHFFFAOYSA-N	305.447	3.393	10	20	DGCD	
CCc1cccc(CNC(C)(C)c2cn(C(C)C)nn2)c1O	848917954	LFUHBTFMZVBMKE-UHFFFAOYSA-N	302.422	3.152	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1cnnn1-c1ccccc1	924575173	RZUVXARGKJGMOA-HNNXBMFYSA-N	321.428	3.184	10	20	DGCD	
CC(C)CC[C@H](CO)NCc1cccc(Br)c1O	858241285	NZNJAHVLIQQNAU-GFCCVEGCSA-N	316.239	3.041	10	20	DGCD	
Cc1c(N)cccc1NC(=O)NCc1ccc(N2CCCC2)cc1	859730442	INFRDQPURPIRDE-UHFFFAOYSA-N	324.428	3.499	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC(C)(C)C)cc1	858281121	LXVWQHYSBRCYGI-UHFFFAOYSA-N	312.413	3.364	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2c3ccccc3C[C@@H]2O)c2c(O)ccc(F)c21	756461087	VBKBWIPSKXSEFO-WJQJUCBESA-N	313.372	3.328	10	20	DGCD	
CC[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccc(F)cc1O	927108665	SGFGZFNMMYTNOP-OAHLLOKOSA-N	303.381	3.383	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCc2cccc(C)c2)c1	756511213	MIKBCDLZWTWLFC-CQSZACIVSA-N	313.397	3.381	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2ccc(Cl)nc2)cc1F	858100952	UFSBYEJZHWPPPQ-UHFFFAOYSA-N	311.763	3.369	10	20	DGCD	
O=[N+]([O-])c1cccnc1NCc1cccc(Br)c1O	764934828	NITITACNQAMFBS-UHFFFAOYSA-N	324.134	3.070	10	20	DGCD	
COc1ccc(N(C)Cc2c[nH]nc2-c2cccnc2)cc1OC	761220645	HYRFVCDUSGXJQS-UHFFFAOYSA-N	324.384	3.125	10	20	DGCD	
CN(CC(=O)N(C)[C@H]1CCCc2ccccc21)c1ccc(N)cc1	863557237	KGHRLSQGVRMFCN-IBGZPJMESA-N	323.440	3.241	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H](CN3CCCC3)C1)CCCC2	768446962	PRTKPRRZNFRBHA-MRXNPFEDSA-N	314.473	3.189	10	20	DGCD	
C[C@H]1CSCCN(Cc2c(O)cccc2Br)C1	862344257	OAXNCOJTTYWBCH-SNVBAGLBSA-N	316.264	3.340	10	20	DGCD	
CCn1nc(NC(=O)N[C@H](C)c2ccccc2O)cc1C1CC1	878882856	OIJZMBOZYYCZMJ-LLVKDONJSA-N	314.389	3.369	10	20	DGCD	
Cc1ccc(CNc2ccc(OCC(C)(C)O)cc2)c(O)c1	876862319	MTXHDHFIHYEJND-UHFFFAOYSA-N	301.386	3.462	10	20	DGCD	
C[C@@H](NCC(F)(F)C(F)F)c1ccc(N2CCOCC2)cc1	775254510	JRRWAVUKGIWQNM-LLVKDONJSA-N	320.330	3.074	10	20	DGCD	
C[C@H](CC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCCN2C	779343839	CBPCSDPWNZKUHS-CQSZACIVSA-N	318.461	3.279	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H](N3CCCC3)C2)cc1	773731350	TVMOXSPDFFTSEE-LJQANCHMSA-N	301.478	3.203	10	20	DGCD	
CCCOc1ccc(CN[C@H](C)c2nnc3n2CCC3)cc1C	873010747	OBHFIGJTNDQFAX-CQSZACIVSA-N	314.433	3.172	10	20	DGCD	
C[C@H](NCc1cc(F)cc(F)c1O)[C@@H](O)c1ccc(F)cc1	883003791	HXONSJOEPJETFI-BJOHPYRUSA-N	311.303	3.021	10	20	DGCD	
CC(C)[C@H](Cn1cccn1)NCc1ccc2c(c1)CCCN2C	788582622	HTGINTQONVLTAO-SFHVURJKSA-N	312.461	3.080	10	20	DGCD	
CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccc(C)c(O)c1O	794326122	FYTUPRWDIYSACZ-AAEUAGOBSA-N	307.390	3.236	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CO)CC2CCC2)cc1F	793320377	CMLYAXHVXLRABU-INIZCTEOSA-N	308.441	3.313	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(O)c1	792777184	JTVWSBMDYUSACZ-DVZHBHJUSA-N	318.417	3.025	10	20	DGCD	
CC[C@H](NC[C@@H](C(C)C)N1CCOCC1)c1ccc(C)cc1O	794795402	SYZUJUUJCJJKDM-ROUUACIJSA-N	320.477	3.098	10	20	DGCD	
Cc1ccc([C@H](O)CNCc2ccc(N3CCCC3)cc2)cc1	1321297240	YTFGYKPHIBZRCN-HXUWFJFHSA-N	310.441	3.418	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCN(C(C)(C)C)CC2)c1	1251125924	BRAGVYDOFUNMDV-UHFFFAOYSA-N	320.477	3.311	10	20	DGCD	
Cc1noc([C@H](C)N(C)Cc2ccc(N3CCCC3)cc2)n1	1261554112	UJPOHABCUJPALE-ZDUSSCGKSA-N	300.406	3.171	10	20	DGCD	
O=C(O)CN(CCCCCF)Cc1cc(Cl)ccc1O	1602055713	UFYGXTPIIXAGCB-UHFFFAOYSA-N	303.761	3.072	10	20	DGCD	
Cc1cc(CN(CC(=O)O)Cc2ccccc2)ccc1N(C)C	1610460192	MVZHXKOOHRXZCB-UHFFFAOYSA-N	312.413	3.148	10	20	DGCD	
CC(C)c1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](N)C2)c1	1575858857	SSLCGYIBCFGZDE-KBPBESRZSA-N	316.367	3.227	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CC[C@H](C)C2)cc1	1776861174	KXWCDAOMXBBKGU-KBXCAEBGSA-N	304.434	3.266	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1	1680281302	YHAZRISTAVLPAM-YUNRHHNCSA-N	301.434	3.157	10	20	DGCD	
Cc1cc(C)cc(OCC(=O)NCc2ccc(N(C)C)cc2)c1	17370693	XZWKSZFKDMOPGW-UHFFFAOYSA-N	312.413	3.065	10	20	DGCD	
CC(=O)N1CC[C@@H](CN(C)Cc2cc(C(C)C)c(C)cc2O)C1	165118891	ZXQOSRWRJLIZIW-INIZCTEOSA-N	318.461	3.124	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2cnc(C)s2)cc1F	159376783	KTUBMPKUEJSMTK-FNORWQNLSA-N	306.362	3.275	10	20	DGCD	
Cc1ccc(NC(=S)NNc2ccc(C(=O)O)cc2)c(C)c1	7521970	XQEOZCVOOJIADM-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1COc2ccccc21	118783716	QQEXTTFIHDVEMQ-MRXNPFEDSA-N	311.381	3.307	10	20	DGCD	
C[C@H]1[C@H](NCc2cc(F)ccc2O)CCN1Cc1ccccc1	309849983	ZTJAVIMYEJJSHB-KBXCAEBGSA-N	314.404	3.284	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2COc3ccccc32)cc1	172002856	LTSRFIDVQMTMDR-GOSISDBHSA-N	324.424	3.325	10	20	DGCD	
COc1ccc(N(C)CC(=O)NCc2cccs2)cc1Cl	121861350	HZWBFENTHTXDMF-UHFFFAOYSA-N	324.833	3.163	10	20	DGCD	
Cc1nc2c(c(NCc3ccc(N(C)C)c(F)c3)n1)CCCC2	302054898	QBJAUVLQUGBWPX-UHFFFAOYSA-N	314.408	3.481	10	20	DGCD	
CCOc1cccc(CN(C)Cc2ccc3c(c2)OCO3)c1O	120056713	RSLNKMZLUUDDCV-UHFFFAOYSA-N	315.369	3.152	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1	217630984	LEKFWOWVEDHVOR-UHFFFAOYSA-N	320.433	3.062	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@H](C)c2ccc(F)cc2O)cc1	184916127	JJEBZQJZMHSZQJ-LLVKDONJSA-N	302.349	3.341	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCOCC(F)F)cc1	191380372	HAWIKLBPPITBQJ-UHFFFAOYSA-N	322.355	3.106	10	20	DGCD	
C[C@H]1[C@@H](C)SCCN1Cc1cccc(Br)c1O	93501023	MBRMPMYUBIWGCC-VHSXEESVSA-N	316.264	3.481	10	20	DGCD	
CCOc1cccc(CN2CCN(c3cccs3)CC2)c1O	93692143	OJAKRSCZLJIBRY-UHFFFAOYSA-N	318.442	3.175	10	20	DGCD	
Cc1c(CNC(=O)c2cnn(C)c2C2CC2)n(C)c2ccccc12	527317317	PWXOSWMZZUGHFR-UHFFFAOYSA-N	322.412	3.028	10	20	DGCD	
FC(F)Oc1ccc(N2CCC[C@H](Nc3cnccn3)C2)cc1	266280096	SZDNKWMXVVRGIR-LBPRGKRZSA-N	320.343	3.159	10	20	DGCD	
CCOC(CCN[C@@H](C)c1cc(Cl)ccc1O)OCC	276457962	BQRAJHYGJZIODZ-NSHDSACASA-N	301.814	3.485	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H](CO)Cc2ccc(F)cc2)c1	273437602	XNPCJOZMIJQNEX-ZBFHGGJFSA-N	317.404	3.342	10	20	DGCD	
Cc1cnn([C@H]2CCN(Cc3c(O)ccc(Cl)c3F)C2)c1	365623125	PSVBGVWCNWDFGR-NSHDSACASA-N	309.772	3.137	10	20	DGCD	
CSC[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1	292495642	UBCFDDAACILUNO-GFCCVEGCSA-N	311.422	3.309	10	20	DGCD	
CC1(C)CCC[C@H]1CNCc1ccc(N2CCOCC2)cc1	389153257	VOAGJFGJLSFEHR-KRWDZBQOSA-N	302.462	3.439	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1ccccc1Cn1cccn1)CC2	296001731	OJPRXVDMDHFNQU-SFHVURJKSA-N	319.408	3.414	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCCC1(F)F	297563333	KPVXHHKTKGSHEM-ZDUSSCGKSA-N	312.360	3.359	10	20	DGCD	
COC(=O)CCC[C@H]1CCC[C@H](NCCc2ccc(N)cc2)C1	817957862	PZYCOVLFKFHBMK-AEFFLSMTSA-N	318.461	3.303	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2	817788063	NLCKKNONHAPULS-OFQRWUPVSA-N	300.402	3.136	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3cc(Cl)c(F)cc3O)CC[C@H]21	816521531	ROVSMCVWMRVMPK-XHDPSFHLSA-N	312.816	3.101	10	20	DGCD	
CC[C@@H](N[C@H]1CCNC2(CCC2)C1)c1ccc(N(C)C)cc1	817987217	YHZSZBASKUJOGD-FUHWJXTLSA-N	301.478	3.468	10	20	DGCD	
C[C@@H](NCC1CCNCC1)c1ccc(N2CCCCC2)cc1	817941297	RPGUEVZOFGBRNC-MRXNPFEDSA-N	301.478	3.327	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1	815566739	DBMPKOBPLIOJMK-JKSUJKDBSA-N	324.424	3.465	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CC3(CCC3)c3c(F)cccc32)cn1	726151271	DGHCCRGZGHOXJD-SREVYHEPSA-N	311.360	3.041	10	20	DGCD	
CCN(CC(C)=O)C(=O)c1sccc1-n1c(C)ccc1C	820453409	GWGOZPPDGYTWET-UHFFFAOYSA-N	304.415	3.207	10	20	DGCD	
COC(=O)[C@H](NCc1ccc(N2CCCCC2)c(C)c1)C1CC1	829077919	PSMXYCPKHMLFMK-GOSISDBHSA-N	316.445	3.027	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1	827377150	QRDFGOCOOOXMFI-KDOFPFPSSA-N	305.418	3.182	10	20	DGCD	
CCOc1ccc(O)c(CN(C)C[C@@H](C)C(=O)OC(C)(C)C)c1	839193835	WJDMFVNOHUPZCU-CYBMUJFWSA-N	323.433	3.201	10	20	DGCD	
C/C(Cl)=C\C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	901176152	NCYVMESSZNTOHA-BRADTZPFSA-N	309.793	3.042	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1[C@H]2CCCCCC[C@H]12	831925182	SKSBKYLXADFCDO-SNPRPXQTSA-N	317.429	3.361	10	20	DGCD	
CC[C@H](NCc1ccc2nonc2c1)c1ccc(F)cc1O	903326851	USFIVNIMNDTGCB-ZDUSSCGKSA-N	301.321	3.308	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C	831526998	BBBYJJATGTWFIX-BMIGLBTASA-N	311.809	3.105	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)CCN)c(C)n1-c1cccc(Cl)c1	834452387	HSGOOQUMMWQKHS-NSHDSACASA-N	319.836	3.215	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C2[C@H]3CCCC[C@H]23)cc1	844853740	DMVYMEXGSLENIT-IRXDYDNUSA-N	316.445	3.026	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1O	846155738	CIDGVCYMGYGHQO-QWRGUYRKSA-N	304.394	3.054	10	20	DGCD	
COc1ccc(N(C)Cc2cc(OC)c(OC)cc2O)cc1	845998245	JTFVMUQOAXWSPY-UHFFFAOYSA-N	303.358	3.054	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCCC[C@@H]2C2CC2)cc1	841045305	JRVQKYCZJGECGW-QRVBRYPASA-N	301.478	3.311	10	20	DGCD	
CCc1cccc(CN2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c1O	848887873	GXJQCMCYTUKYBP-ROUUACIJSA-N	318.461	3.176	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1	842885324	NCNBUVBGKICEJV-IAGOWNOFSA-N	317.477	3.193	10	20	DGCD	
CN(C)c1ccc(CNCCCCCCN)c(C(F)(F)F)c1	843129823	RSZHCOXKIDZYIH-UHFFFAOYSA-N	317.399	3.380	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1	745858161	ORSFIYONMKHBJP-MJGOQNOKSA-N	310.397	3.264	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CCn2cccc2)cc1	746104863	GHKCHPQKWFNLST-UHFFFAOYSA-N	313.445	3.383	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(F)nc1F)c1ccc(N(C)C)cc1	844680800	ZCAZNMRVZQQWNJ-JTQLQIEISA-N	320.343	3.309	10	20	DGCD	
CC[C@@H](NCCN(C)OC)c1cc(Cl)cc(Cl)c1O	850477558	HWVCPFXOBZRJDO-GFCCVEGCSA-N	307.221	3.233	10	20	DGCD	
c1ccc(NCCCCNCc2ccc3c(c2)CCCO3)nc1	921667252	NODYJVQXHBASNJ-UHFFFAOYSA-N	311.429	3.389	10	20	DGCD	
COc1cc(CN[C@@H](CO)CC2CCC2)c(O)c(C(C)(C)C)c1	850281350	IYPAGZWCHSWJRN-OAHLLOKOSA-N	321.461	3.339	10	20	DGCD	
Oc1nc(Cl)cc(NCc2ccc(N3CCCCC3)cc2)n1	858367909	ZKINZQRLKZJUCD-UHFFFAOYSA-N	318.808	3.438	10	20	DGCD	
COc1ccc(N(C)Cc2cccc3c2OCCO3)c(OC)c1	752126772	VEEYKBPXIMNQDB-UHFFFAOYSA-N	315.369	3.111	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)Cn3cc(C4CC4)cn3)cc12	851092420	ITMYBSBYCNLPLA-UHFFFAOYSA-N	323.396	3.475	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3ncccc3OC)C2)cc1	858582183	NXVFYQNQWHEZPT-AWEZNQCLSA-N	313.401	3.037	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CC[C@@H]2CC2(Cl)Cl)cc1	854271397	FOZAXDUGVRMUAY-GFCCVEGCSA-N	315.244	3.343	10	20	DGCD	
C[C@@H](NCC1(CN(C)C)CCCC1)c1cc(F)cc(F)c1O	760896552	GSBWYFXPFWCQIF-GFCCVEGCSA-N	312.404	3.443	10	20	DGCD	
C[C@@H](NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1cc2c(cc1O)CCCC2	873263813	KKAKNBHUFPJTMD-KJWYOANISA-N	314.473	3.452	10	20	DGCD	
Cc1cccc(C(=O)NC2CCN(Cc3ccccc3O)CC2)c1	877694931	UFRJSDINZSKNNO-UHFFFAOYSA-N	324.424	3.095	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)c1O	774888672	RTOBALZHAQPIEK-YRGRVCCFSA-N	320.389	3.462	10	20	DGCD	
C[C@H](NC(=O)c1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1	775409941	IURIWZDACHYKLG-ZDUSSCGKSA-N	322.412	3.130	10	20	DGCD	
CCOC(=O)C1CCC(NCc2ccc(N(C)C)cc2C)CC1	776174107	IQWXLKMIDCYDOO-UHFFFAOYSA-N	318.461	3.273	10	20	DGCD	
C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H](C(F)(F)F)O1	775719091	BZHRWGPLIDIQQC-LDYMZIIASA-N	309.715	3.197	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccc2ncccc2c1	770403849	MUZSCVCSMGHRCE-YVMONPNESA-N	321.332	3.403	10	20	DGCD	
COC(=O)c1oc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1C	775834639	BMWRDGZAQYRPKI-ZDUSSCGKSA-N	316.401	3.291	10	20	DGCD	
CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N)cc2)C1	1120676850	DXQMYLICLMUBKX-CABCVRRESA-N	307.463	3.084	10	20	DGCD	
C[C@@H](Cn1cccn1)N[C@H](C)c1cccc(C(F)(F)F)c1O	788646184	BKDRZJFGDLXNQG-WDEREUQCSA-N	313.323	3.347	10	20	DGCD	
CC[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(F)cc1O	796926049	NGGROQITNJEKBL-MRXNPFEDSA-N	314.360	3.380	10	20	DGCD	
COC[C@@H](C)CNCc1cc(Cl)cc(Br)c1O	708098978	NSXSGBHMLJKSDE-QMMMGPOBSA-N	322.630	3.180	10	20	DGCD	
CCCNc1ccccc1NC(=O)c1ccc(C)c(O)c1O	790870424	BKXQBLYLQJLEHX-UHFFFAOYSA-N	300.358	3.480	10	20	DGCD	
CC(C)Oc1ccc(NCc2cc(F)ccc2O)cc1C(N)=O	793378863	PNFCZEOXXXVAIJ-UHFFFAOYSA-N	318.348	3.030	10	20	DGCD	
C[C@@H](CNCc1c(O)ccc(Cl)c1F)N1CCC[C@@H](C)C1	790948008	CXXROVPITFBOCN-NEPJUHHUSA-N	314.832	3.395	10	20	DGCD	
COc1cc(CN2CCC[C@@](C)(CO)C2)c(O)c(C(C)(C)C)c1	1327872614	UEARGANVFABYLJ-LJQANCHMSA-N	321.461	3.293	10	20	DGCD	
Cc1ccc(NC(=S)NNc2cccc(C(=O)O)c2)c(C)c1	1600458451	MGOGBAFLMLOOKG-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
COc1cc(F)c(OCc2cc(C(=O)O)oc2C)cc1OC	1599424180	NWZJOOGRGHTUBY-UHFFFAOYSA-N	310.277	3.022	10	20	DGCD	
COCCC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCC1	156049151	YUSUCZUVBYWFDC-UHFFFAOYSA-N	318.461	3.274	10	20	DGCD	
CCNC(=O)CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	101589477	ASDCCFFOWYFQQI-UHFFFAOYSA-N	320.477	3.213	10	20	DGCD	
C[C@@H](Cc1ccc(O)cc1)NCc1ccc(N(C)C)c(F)c1	113335933	KQQHOIWXTWYMIT-ZDUSSCGKSA-N	302.393	3.318	10	20	DGCD	
CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)c(O)c1	170699456	RRQSUHBJLMCZSN-QGZVFWFLSA-N	312.369	3.377	10	20	DGCD	
CCOC[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	177366577	AURBIDNSBAUCID-GFCCVEGCSA-N	311.809	3.107	10	20	DGCD	
CC[C@H](COC)N[C@H](C)c1ccc(Br)cc1O	185504278	AJPYKYHAMYWIOL-MWLCHTKSSA-N	302.212	3.230	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)ccc1F	75159399	AGUWXHTVXKKCDQ-UHFFFAOYSA-N	317.335	3.479	10	20	DGCD	
C[C@@H](NCCCOC[C@H]1CCCO1)c1cc(Cl)ccc1O	184902989	LASNIHWESYXENH-TZMCWYRMSA-N	313.825	3.282	10	20	DGCD	
C[C@H](NC[C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O	187731387	JWSPEMQYXZNBMM-JSGCOSHPSA-N	321.367	3.487	10	20	DGCD	
CO[C@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	76247595	WFUCMCUYXHHSEP-SFHVURJKSA-N	312.413	3.345	10	20	DGCD	
CN(C)c1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)cc1	48402582	HFCUXLTWZKXRNA-LCYFTJDESA-N	304.440	3.116	10	20	DGCD	
C[C@H](N[C@H](C)CN1CCCC1=O)c1ccc2ccccc2c1O	193918243	QTZYUANMHPZPBF-KGLIPLIRSA-N	312.413	3.207	10	20	DGCD	
O=C(CCSc1nccs1)Nc1ccccc1[N+](=O)[O-]	48874148	XLVKCKLKKCZZQQ-UHFFFAOYSA-N	309.372	3.172	10	20	DGCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1F	237381604	CIABXSKHXWTFQT-SECBINFHSA-N	307.296	3.250	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	246470276	ANBMQKJFSKXNQS-WIHIRCLASA-N	314.429	3.358	10	20	DGCD	
C[C@@](O)(CNCc1ccc(N2CCCCC2)cc1)c1ccco1	266133743	DPKNWYOMCLCCCY-LJQANCHMSA-N	314.429	3.267	10	20	DGCD	
CC[C@H](NC[C@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1	269078462	YWKVLLFEAZSKHO-IRXDYDNUSA-N	302.418	3.428	10	20	DGCD	
CCc1ncsc1NC(=O)NCc1ccc(N(C)C)c(F)c1	269526431	IUYSESVJYOFWDH-UHFFFAOYSA-N	322.409	3.232	10	20	DGCD	
Cc1cccc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)c1O	278966517	HDTFIDJAVOSIQQ-OAHLLOKOSA-N	309.768	3.316	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(OC)CCC1	276598188	BURSWHOOAMICCK-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CCc1nc([C@@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)n[nH]1	271443594	FKTXFCXTMJXBLY-DOMZBBRYSA-N	301.438	3.235	10	20	DGCD	
CCn1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)cn1	271074895	NYGSEEFZSWHGBD-UHFFFAOYSA-N	300.450	3.380	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2CCCSC2)c1O	288432690	LDBKUIXXOVYOCZ-SECBINFHSA-N	316.810	3.187	10	20	DGCD	
CC[C@H](NCC(=O)NC(C)C)c1cc(Cl)cc(Cl)c1O	287700178	NOSBDRWKQSRQGJ-LBPRGKRZSA-N	319.232	3.264	10	20	DGCD	
CCNC(=O)[C@@H](C)N[C@@H](CC)c1cc(Cl)cc(Cl)c1O	286887805	ISNOPZHSIWHQAA-PELKAZGASA-N	319.232	3.264	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)c(C)c1	808094942	KSXHRFQMBTYONA-UHFFFAOYSA-N	304.386	3.425	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)c2ccsc2)c1O	802654212	FFTZVCNCYRMSOL-VIFPVBQESA-N	308.359	3.221	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)cc1F	817901166	SVONSIRNCZUOKW-BPQIPLTHSA-N	319.468	3.292	10	20	DGCD	
Cc1cc(NCc2cc(Cl)c(F)cc2O)ccc1C(N)=O	816598152	REGHYMFEVVFZSA-UHFFFAOYSA-N	308.740	3.204	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H](CC)c1ccc(N(C)C)cc1	815633263	KAZCLFSISZWXEV-YJBOKZPZSA-N	319.493	3.346	10	20	DGCD	
CC[C@H](N[C@H](C)C1(OC)CCOCC1)c1ccc(C)cc1O	817587291	DKVOSHCBOAAZSB-ZBFHGGJFSA-N	307.434	3.325	10	20	DGCD	
O[C@H](CNc1ccccc1OCC(F)F)COc1ccccc1	819460128	FDXTZQYUMIMVJS-CYBMUJFWSA-N	323.339	3.182	10	20	DGCD	
CCS(=O)(=O)Cc1ccc(NCc2cc(F)ccc2O)cc1	825315453	AWVSQWZLQAGUSK-UHFFFAOYSA-N	323.389	3.078	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1ncc[nH]1	820275985	RIOIIJJRIQEJKJ-GFCCVEGCSA-N	314.414	3.370	10	20	DGCD	
CC1(C)C[C@H](O)CCN(Cc2c(O)ccc(Cl)c2F)C1	825090955	OSIANHGDVKMJTA-SNVBAGLBSA-N	301.789	3.168	10	20	DGCD	
O=C(O)[C@H]1CCCCCC[C@H]1NCc1cc(F)cc(F)c1O	904005597	SMJYSRXDECSMRR-GXTWGEPZSA-N	313.344	3.184	10	20	DGCD	
C[C@@H](CN(Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1)C(=O)O	736584030	OLJWDYYOYFUGRZ-NSHDSACASA-N	321.417	3.080	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](O)c2cccc(F)c2)cc1Cl	825166817	FJQOQXFUEKDROT-INIZCTEOSA-N	309.768	3.316	10	20	DGCD	
CC(C)n1cncc1CN(C)c1ccc(OCCN(C)C)cc1	822469892	FRUSALJVUCXSFH-UHFFFAOYSA-N	316.449	3.041	10	20	DGCD	
C[C@@H](NCCC(C)(C)CO)c1cccc(C(F)(F)F)c1O	834872603	ZLRFEUWVNSGQKI-SNVBAGLBSA-N	305.340	3.470	10	20	DGCD	
C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCCO1	837374403	VZWPYEKWAXSVQI-LJQANCHMSA-N	316.445	3.252	10	20	DGCD	
CCN(C)c1ccc(CN2CCN(C3CC3)C[C@H](C)C2)cc1	830087265	CLCFENUCYIKCML-MRXNPFEDSA-N	301.478	3.059	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)N2CCCC[C@@H]2C)cc1	746664379	ZBMPEDQNONXXSY-HNNXBMFYSA-N	304.434	3.313	10	20	DGCD	
COc1cccc(CNC[C@@H](N)c2ccc(C(C)C)cc2)c1O	841037458	QPZNKIHABKXUCK-QGZVFWFLSA-N	314.429	3.314	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C(C2CC2)C2CC2)cc1	844853671	AQUQMFMVLDEVHQ-UHFFFAOYSA-N	316.445	3.026	10	20	DGCD	
CCC(C)(C)[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	843303595	BJAXQSVWUFFHGU-LBPRGKRZSA-N	303.761	3.164	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc3c(c2)ncn3C)c1	845970610	AHRYLDLCBSFTFY-GFCCVEGCSA-N	311.385	3.138	10	20	DGCD	
CN(C)c1ccc(CN(C(=S)NCC2CC2)C2CC2)cc1	849255021	TZFMTTMPHODIKW-UHFFFAOYSA-N	303.475	3.002	10	20	DGCD	
Oc1ccc(Cl)cc1CNC1CCN(c2ccncc2)CC1	846055148	JGZWAEZGOHJTOP-UHFFFAOYSA-N	317.820	3.199	10	20	DGCD	
OC[C@@H](CNCc1cccc(Cl)c1O)c1ccc(F)cc1	840964259	VOGOVTHXRGRKBI-CYBMUJFWSA-N	309.768	3.050	10	20	DGCD	
CCc1cccc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O	848916986	YNFZJHBQBRTOGV-CQSZACIVSA-N	318.461	3.068	10	20	DGCD	
COc1cccc([C@H](C)NCCC(=O)Nc2ccccc2)c1O	846142649	BKEIAZOJHZCRBJ-ZDUSSCGKSA-N	314.385	3.080	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCS[C@H]2C)c(C)n1-c1ccccn1	844115878	PPOJCPMYZAQDPT-ZFWWWQNUSA-N	315.442	3.113	10	20	DGCD	
CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1(C)C	753639994	FQNAUTMKTZBKQV-QEORTHHSSA-N	317.429	3.383	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCc1ccco1	852679798	BUNQANZOWOHVGW-UHFFFAOYSA-N	315.417	3.120	10	20	DGCD	
C[C@@H](NC[C@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1O	756342769	LDMAQFXVIHADTD-PBHICJAKSA-N	316.420	3.355	10	20	DGCD	
C[C@H](Nc1cccc2c1oc(=O)n2C)c1cc(F)ccc1O	756855630	LMMWSEOGJMLVAC-VIFPVBQESA-N	302.305	3.149	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2csc(C=O)c2)cc1	754991321	UFTYTPSERSZHFF-UHFFFAOYSA-N	316.426	3.337	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1C	756475898	PKLJIUOGZCNRNE-JKSUJKDBSA-N	324.424	3.465	10	20	DGCD	
C[C@@H](Nc1cnn(CC2CC2)c1)c1cc([N+](=O)[O-])ccc1O	756854837	HECNNAVYFYBRFC-SNVBAGLBSA-N	302.334	3.080	10	20	DGCD	
Cc1ccc(O)c(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)c1	862541733	UTRZLNWOPCFXJH-CYBMUJFWSA-N	308.422	3.046	10	20	DGCD	
CCOC(=O)COc1ccc(NCc2ccc(C)cc2O)cc1	877325825	ZKTBBUQSOSNMMZ-UHFFFAOYSA-N	315.369	3.255	10	20	DGCD	
CCc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1C	770112541	XKLBXRONSLGPIV-UHFFFAOYSA-N	314.385	3.333	10	20	DGCD	
C[C@H](NC[C@H]1C[C@@H](N)C1)c1ccc(N2CCCCCC2)cc1	873253919	HGFRNBMXBSEUNO-XYJFISCASA-N	301.478	3.455	10	20	DGCD	
Cc1ccc(CN(C)Cc2nc(-c3cccs3)no2)c(O)c1	877514966	RTPSBFRJOFGBQE-UHFFFAOYSA-N	315.398	3.444	10	20	DGCD	
C[C@H]1[C@H](C)CCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1116443244	LLDGTPZXTDPDEI-CVEARBPZSA-N	319.468	3.198	10	20	DGCD	
CC[C@H](N[C@H]1COc2cc(OC)ccc2C1)c1ccccc1O	775525834	ODVWRKWAOUPCAZ-PBHICJAKSA-N	313.397	3.445	10	20	DGCD	
CC(C)[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	777968043	KZFIXUPPVSHYDM-MRXNPFEDSA-N	307.434	3.252	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCC[C@@H](F)C2)c1O	1118202003	NFFPSHDVMHLUOF-MNOVXSKESA-N	302.733	3.324	10	20	DGCD	
C[C@H](N[C@@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1	886513148	VHPZPYJLJWCSHK-HNAYVOBHSA-N	323.440	3.256	10	20	DGCD	
CCOCc1cc(CNC[C@H]2CCO[C@@H](C)C2)ccc1OC	770738326	HBJWYSYFFCXQCU-HOCLYGCPSA-N	307.434	3.136	10	20	DGCD	
CCNC(=O)[C@@H](C)N[C@H](CC)c1ccc(Cl)c(Cl)c1O	775485227	QRSIGUQQYKBZQM-LDYMZIIASA-N	319.232	3.264	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3cc(C4CC4)ncn3)C2)cc1	882480140	NHUAOTIHUVXRHJ-CQSZACIVSA-N	324.428	3.301	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCCSc3ccc(F)cc32)cn1	787986347	BTUAICSDBJZXDB-UTCJRWHESA-N	317.389	3.101	10	20	DGCD	
CC(C)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	780360035	NNQOQKYJVBERMV-HNNXBMFYSA-N	321.440	3.469	10	20	DGCD	
CC1(C)CCCC[C@@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1	784336492	FAYKZQHHGZDGKR-CYBMUJFWSA-N	320.385	3.430	10	20	DGCD	
COc1ccc(CNCCCc2ccccc2F)c(O)c1OC	894178413	NJUWRUYSLXHSLV-UHFFFAOYSA-N	319.376	3.271	10	20	DGCD	
Cc1ncc(CNCc2ccc(Br)cc2O)s1	691439058	APKLIPOHOAJQIK-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
C[C@H](CNCc1c(O)ccc(Cl)c1F)CN1CCCCC1	790947910	CQIDJRUTHBELAK-GFCCVEGCSA-N	314.832	3.396	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1	1319705206	GOJOLVMCFUEADB-INIZCTEOSA-N	319.468	3.200	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)o1	1254721237	NSSATHVQQVKPNZ-CORIIIEPSA-N	301.386	3.474	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](N)C(C)(C)C	1341806926	XXCWAFCWIIKCKF-KRWDZBQOSA-N	319.493	3.253	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OC)c(C)c2)c1	1349331669	UFVVLLRURKWULO-LBPRGKRZSA-N	315.369	3.209	10	20	DGCD	
CC(C)N1CC[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)C1	1261256841	WCVNDJIECUJMKN-LJQANCHMSA-N	301.478	3.201	10	20	DGCD	
Cc1cc(Cl)cc(CNC(C)(C)c2cc(C(=O)O)on2)c1O	1600219078	OMLARZIUMLUGKS-UHFFFAOYSA-N	324.764	3.065	10	20	DGCD	
C[C@H](NCc1ccc(C(=O)O)s1)c1ccc(N(C)C)cc1	1589131252	GFQHEAYNMVLXEV-NSHDSACASA-N	304.415	3.363	10	20	DGCD	
CC[C@@H](Sc1ncc(C(=O)O)s1)C(=O)OC(C)(C)C	1595358827	KEHGUSAURSSIHX-SSDOTTSWSA-N	303.405	3.054	10	20	DGCD	
CN(C)c1ccc2c(c1)CN([C@@H]1CC[C@H](CC(=O)O)C1)CCC2	1777041162	CVHCCELARMFHIX-KBXCAEBGSA-N	316.445	3.144	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1c[nH]c2ncccc12	153569051	YMZFYPDNAICOJX-UHFFFAOYSA-N	323.396	3.250	10	20	DGCD	
O=C(CSc1ccccc1Cl)NCc1ccc(O)c(O)c1	159071352	HGVMHIBPBNPRIL-UHFFFAOYSA-N	323.801	3.160	10	20	DGCD	
CN1C(=O)/C(=C/c2cccc(OC(F)(F)F)c2)SC1=S	102792101	LVFSWWNIBPCNOM-TWGQIWQCSA-N	319.329	3.416	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc3ccccc3c2)c1O	105652823	SJJNMWRIZLDQCW-UHFFFAOYSA-N	307.349	3.484	10	20	DGCD	
COc1cc(N(C)Cc2ccsc2)c([N+](=O)[O-])cc1OC	301927383	NFZBWKHNMQVCDF-UHFFFAOYSA-N	308.359	3.310	10	20	DGCD	
CC[C@@H](NC[C@@H](O)c1c(F)cccc1F)c1ccccc1O	305789764	ZNORINLQPLTBOS-GDBMZVCRSA-N	307.340	3.445	10	20	DGCD	
C[C@@H](NC[C@H](CCO)c1ccccc1)c1ccc(F)cc1O	185525376	ANUYZHYPJAYBSM-HIFRSBDPSA-N	303.377	3.348	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)/C=C/c1cncc(F)c1	120585368	ONZPXGSICNYTDT-BQYQJAHWSA-N	314.360	3.378	10	20	DGCD	
COC(=O)c1cccc(CN[C@H](C)c2cc(OC)ccc2O)c1	182458567	DBJAZLSZNCCWNY-GFCCVEGCSA-N	315.369	3.038	10	20	DGCD	
CC(C)Oc1cncc(NCCCSc2nccs2)n1	124580523	MVAOYGAJDIOBQM-UHFFFAOYSA-N	310.448	3.315	10	20	DGCD	
COc1ccc(-n2ccc(CN[C@H](C)c3ccccc3O)n2)cc1	183492606	ZAHYCOQFWBNNPC-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
Cc1cccc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1O	180217973	RMXIQKBXIQUVQQ-CYBMUJFWSA-N	308.422	3.046	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1	194158352	SQUCAZKLTAWNBG-IBGZPJMESA-N	314.404	3.465	10	20	DGCD	
CCCCO[C@H](C)C(=O)NCc1ccc(N(CC)CC)cc1	144993338	XAEBUSSOUFOBMG-OAHLLOKOSA-N	306.450	3.354	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCN2CCCC[C@H]2C)c1	248531603	PBBMCDCJHNLBLE-HUUCEWRRSA-N	306.450	3.316	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C)c(C)c2O)cc1	273415883	QXEPICARAHCEKL-KSSFIOAISA-N	315.413	3.402	10	20	DGCD	
Cc1onc(-c2cccnc2)c1C(=O)N1CCc2ccc(F)cc21	375686528	CYKZKYAODRGDKR-UHFFFAOYSA-N	323.327	3.387	10	20	DGCD	
OC[C@]1(c2ccccc2)CCN(Cc2c(O)cccc2Cl)C1	291333805	UYRHXCPECYUEHP-SFHVURJKSA-N	317.816	3.182	10	20	DGCD	
CCOC(=O)c1cnc(Sc2ccc3c(c2)OCCO3)s1	385825750	SKDLFARIKKZNSD-UHFFFAOYSA-N	323.395	3.242	10	20	DGCD	
CN1CCCc2cc(NC(=O)NCc3ccccc3O)ccc21	299536814	UJKHMZBIGIEJSC-UHFFFAOYSA-N	311.385	3.096	10	20	DGCD	
O=C1NCCCN1c1cc(NCc2ccccc2O)ccc1F	808427785	GCMQELUUIVDKLJ-UHFFFAOYSA-N	315.348	3.063	10	20	DGCD	
COC1(CCN[C@H](C)c2ccc(N3CCOCC3)cc2)CCC1	293900807	WANLYELFOSDMKW-MRXNPFEDSA-N	318.461	3.133	10	20	DGCD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1	801928207	NAASHDBJNRQXOO-JKSUJKDBSA-N	311.381	3.080	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCC2(C(=O)N(C)C)CCCC2)c(O)c1	293812322	RRFWDDVMPPKTDA-HNNXBMFYSA-N	318.461	3.308	10	20	DGCD	
CSC1(CNCc2ccc(N3CCSCC3)cc2)CC1	809607330	WYGFKVDHIDQFTJ-UHFFFAOYSA-N	308.516	3.225	10	20	DGCD	
OCCN(Cc1cc(Cl)c(F)cc1O)[C@@H]1C[C@H]2CC[C@H]1C2	816596034	LTANXWQAPBQMBS-ZIBATOQPSA-N	313.800	3.168	10	20	DGCD	
Cc1nc([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c(C)s1	817940656	GKZGXMPSMZLZTI-MEDUHNTESA-N	318.490	3.177	10	20	DGCD	
CC[C@H](N[C@H]1CCNC2(CCC2)C1)c1ccc(N(C)C)cc1	817987219	YHZSZBASKUJOGD-WMZOPIPTSA-N	301.478	3.468	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1	827377151	QRDFGOCOOOXMFI-KSSFIOAISA-N	305.418	3.182	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCN1C)c1ccc(Cl)c(Cl)c1O	903316241	BSXMSOUKWGREEP-JOYOIKCWSA-N	303.233	3.444	10	20	DGCD	
CC[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1ccccc1O	839541001	QDILYQPEJPKNPS-WBVHZDCISA-N	310.397	3.386	10	20	DGCD	
CCc1oc(C(=O)O)cc1CN[C@H](C)c1cc(OC)ccc1O	833680951	RFNAVHWXOZGVHV-SNVBAGLBSA-N	319.357	3.105	10	20	DGCD	
CCCC(O)(CCC)CC(=O)N[C@H](C)c1cc(OC)ccc1O	749237925	CTGJREWPINMXKN-CYBMUJFWSA-N	323.433	3.299	10	20	DGCD	
FC(F)CN1CC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1	841893457	FHTBQVHLTNELAR-MRXNPFEDSA-N	323.431	3.106	10	20	DGCD	
CCn1cncc1CN1CCCc2cc(OC(F)F)ccc21	841873767	HUAYPOBUZSTLFT-UHFFFAOYSA-N	307.344	3.457	10	20	DGCD	
CN(C)c1ccc(CN(CCCc2cnn(C)c2)C2CC2)cc1	919770442	DZFLGSMBVSNUMO-UHFFFAOYSA-N	312.461	3.083	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCC[C@@H]2C2CC2)c1O	840954821	OQQTYWXDTGRUEQ-GXTWGEPZSA-N	320.389	3.225	10	20	DGCD	
COc1ccc(N(C)CCN(C)CCCc2ccncc2)cc1	844401478	OADXVMIYJPPQRN-UHFFFAOYSA-N	313.445	3.091	10	20	DGCD	
CCCNC(=O)CCCSc1ncc(-c2ccccc2)n1C	840059187	HAXLDGAWHYHDJK-UHFFFAOYSA-N	317.458	3.486	10	20	DGCD	
COc1cccc([C@H](C)NCCN(C)c2ccccc2)c1O	846137298	DIUISVNVFNMHMB-AWEZNQCLSA-N	300.402	3.188	10	20	DGCD	
C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H](C)c1ccccc1	841849505	YGKOANMQMJPZSP-LSDHHAIUSA-N	311.429	3.303	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(C)c(C)c1O	756663115	GQGDRAGILAURAR-CYBMUJFWSA-N	317.433	3.164	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@H]2CCCC[C@@H]21	853776590	RVDYIVMTJJZDEM-WMZOPIPTSA-N	311.429	3.147	10	20	DGCD	
C[C@H](CCC1CC1)NCc1ccc(N2CCC(O)CC2)cc1	850567922	MFABOQCDKKMWLM-OAHLLOKOSA-N	302.462	3.316	10	20	DGCD	
CCOc1ccc(CNC[C@@H](O)[C@H](C)c2ccccc2)c(O)c1	850411586	GCBXEDXFDFINGF-AUUYWEPGSA-N	315.413	3.045	10	20	DGCD	
CCN(CC)c1ccc(CN2C(=O)NC(CC)(CC)C2=O)cc1	761090352	JHVGRUDIHGCBRL-UHFFFAOYSA-N	317.433	3.143	10	20	DGCD	
COc1ccc(CN(C)c2ccc(OC)c(OC)c2)cc1OC	761222905	YARMHYAWCQJBRA-UHFFFAOYSA-N	317.385	3.357	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H]1CCN(c2ccccc2F)C1	877542683	VGOYNLDQCICTFZ-HNNXBMFYSA-N	314.404	3.456	10	20	DGCD	
CC[C@]1(C)CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775726414	RKOZDABLQOWLNX-LJQANCHMSA-N	301.478	3.060	10	20	DGCD	
C[C@@H](NC(=O)N1CCOC(C)(C)[C@H]1C)c1ccc(N(C)C)cc1	773626324	SPVPQPWEBKNPFY-ZIAGYGMSSA-N	319.449	3.023	10	20	DGCD	
CC[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1	773017134	UJHMQONJNASWMZ-FRFSOERESA-N	304.434	3.135	10	20	DGCD	
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(N(C)C)cc1	773008066	BOBVVXBTYKFFRX-SNVBAGLBSA-N	319.386	3.213	10	20	DGCD	
C[C@H](NC(=O)c1ccc(NC2CC2)nc1)c1ccc(N(C)C)cc1	773017605	HOUFNBFHFLUOES-ZDUSSCGKSA-N	324.428	3.213	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCCCCNc1ccccn1	882968036	AVCKZEROKVKSSJ-UHFFFAOYSA-N	307.344	3.047	10	20	DGCD	
CC[C@H](N[C@@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O	775524245	RAJWRXFUEKMTRR-KOLCDFICSA-N	311.731	3.400	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1CCCc2c1cccc2[N+](=O)[O-]	784088317	FKGZFAHCPURPGW-FPLPWBNLSA-N	323.352	3.291	10	20	DGCD	
CCC[C@@H](C)CC(=O)NCCNCc1ccc(OC)c(C)c1	1124613393	NBETUYSFNLXFAY-CQSZACIVSA-N	306.450	3.036	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC1C[C@@H]2CC[C@H](C1)N2C	894939893	ORJLYBYGXOGWGT-SHFXZJCHSA-N	315.505	3.207	10	20	DGCD	
COCc1ccc(NCc2ccc(OC)c(OC)c2O)cc1	894055917	BKWQLVNUYKOZHT-UHFFFAOYSA-N	303.358	3.168	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2ccc3c[nH]nc3c2)c1	793573604	RSZBLRLJUGLPSM-LBPRGKRZSA-N	311.385	3.170	10	20	DGCD	
Cc1c(CNCc2ccc(N(C)C)c(F)c2)cccc1[N+](=O)[O-]	791000380	SKFRGPMKSWXHPL-UHFFFAOYSA-N	317.364	3.398	10	20	DGCD	
Oc1ccc(CCNc2cc(C3CC3)nc(C3CC3)n2)cc1O	892818794	JVZYFOBXZCHMSY-UHFFFAOYSA-N	311.385	3.297	10	20	DGCD	
C/C=C(/C)C(=O)N[C@H](C)C[C@H](C)NCc1ccc(OC)c(C)c1	1134051650	NFQZXFVMARTHGU-XGFUNVHXSA-N	318.461	3.343	10	20	DGCD	
COc1ccc(N(C)Cc2ccc([S@@](C)=O)cc2)cc1OC	1329105089	OBVPKKPHEMCZGY-JOCHJYFZSA-N	319.426	3.078	10	20	DGCD	
CNC[C@H](C)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	1325743095	JKGGQSGIGYSEPU-LSDHHAIUSA-N	307.457	3.322	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3occc3N)cc2)CC1	1326408303	IQKPJQGTCLJREQ-UHFFFAOYSA-N	313.401	3.028	10	20	DGCD	
Cc1cc(C(=O)OCC2CSC2)c(C)n1-c1ccccn1	1348953127	OVWVVACGEAXQIC-UHFFFAOYSA-N	302.399	3.009	10	20	DGCD	
CCC1(C(=O)NCc2cccc(O)c2O)CCC(F)(F)CC1	1352670206	MSWNKVVNCDBGOC-UHFFFAOYSA-N	313.344	3.320	10	20	DGCD	
O=C(O)[C@H](CC(F)F)NCc1cc(-c2ccccc2)ccc1O	1608529797	GLNYVQRUARMGMB-AWEZNQCLSA-N	321.323	3.257	10	20	DGCD	
O=C(O)c1ccc2c(c1)CCN2Cc1cc(Cl)c(F)cc1O	1608922466	SDRBWXSQOVROQU-UHFFFAOYSA-N	321.735	3.446	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)CC1C[C@@H]2CC[C@H](C1)N2	1578489811	NMDJYXZTXUJBNL-YQQQUEKLSA-N	313.489	3.249	10	20	DGCD	
CCCSC[C@@H](NCc1ccc(N(C)CC)cc1C)C(=O)O	1776826328	WHQKVAVUVLYKRA-MRXNPFEDSA-N	324.490	3.137	10	20	DGCD	
CCC(C)(C)OCCNCc1cccc(Br)c1O	308722080	DRRXBZGMYJPFAX-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
O=C(O)c1ccc(NNC(=S)Nc2ccc(Cl)cc2)cc1	7556613	YKLWTTVFZRBAIH-UHFFFAOYSA-N	321.789	3.352	10	20	DGCD	
O=C(C=C1CCCCC1)NCc1ccc(N2CCOCC2)cc1	56199839	NIFDSZOSOUUNNH-UHFFFAOYSA-N	314.429	3.030	10	20	DGCD	
CCCCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	60460242	NQKIZNPHIYNHNG-SFHVURJKSA-N	318.461	3.450	10	20	DGCD	
CCN(CC)[C@@H](CNCc1cc(C)ccc1O)c1ccco1	113330261	WPNBKWYDSWHMQK-INIZCTEOSA-N	302.418	3.466	10	20	DGCD	
CC[C@@H](CCO)N[C@@H](CC)c1cc(Br)ccc1O	119237290	XFEPTYVROVVSCI-AAEUAGOBSA-N	316.239	3.356	10	20	DGCD	
CCCCCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65279030	ZAKWJRUZNXXMEY-OAHLLOKOSA-N	319.449	3.074	10	20	DGCD	
C[C@@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(N(C)C)cc1	182134379	IJPODYSRBKVMHX-QAPCUYQASA-N	318.461	3.479	10	20	DGCD	
C[C@H]1CN(Cc2cc(F)ccc2O)[C@H](c2ccccc2)CO1	180198941	XSUDRRDKMNUFOU-GUYCJALGSA-N	301.361	3.493	10	20	DGCD	
C[C@@H](NCCC(=O)NC1CCCCC1)c1cc(F)ccc1O	185091338	UWXOHZJSVMPCAQ-GFCCVEGCSA-N	308.397	3.021	10	20	DGCD	
CC[C@@H](CCO)CN[C@H](C)c1cc(Br)ccc1O	185676607	LWEMJNRCXQATNL-MNOVXSKESA-N	316.239	3.214	10	20	DGCD	
C[C@H](N[C@H]1CC[C@H](CO)CC1)c1cc2c(cc1O)CCCC2	185736369	FKMUANFBUDVJFI-GRDNDAEWSA-N	303.446	3.473	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H](c2ccco2)N(C)C)c1O	184704920	YSFIIRCXJMBNIV-CYBMUJFWSA-N	324.808	3.040	10	20	DGCD	
CCCCC[C@H](C)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O	182406310	VVDWINXUYUOJAT-KBPBESRZSA-N	322.449	3.136	10	20	DGCD	
CC[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	183474559	NLSNQIPKVQZWHU-XJKSGUPXSA-N	313.397	3.339	10	20	DGCD	
CCSCC[C@H](C)NCc1ccc(N2CCOCC2)cc1	135291299	AMECULMFNIXDSG-HNNXBMFYSA-N	308.491	3.145	10	20	DGCD	
CCOC(=O)N1CCC(N[C@@H](CC)c2ccccc2O)CC1	192882496	PGWZERMTMBCILM-HNNXBMFYSA-N	306.406	3.054	10	20	DGCD	
CC(C)Oc1ccc(N(C)C[C@@H](O)COCc2ccco2)cc1	191591815	BQIIFQQIWWBRQE-MRXNPFEDSA-N	319.401	3.081	10	20	DGCD	
Oc1ccccc1CN[C@H](c1ccc2c(c1)OCCO2)C1CC1	238109121	YNMRSSLOKQVXLS-IBGZPJMESA-N	311.381	3.404	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2cccc(OC)c2O)C1(CC)CC	236880145	XKQAPYKVJUGZID-HZPDHXFCSA-N	307.434	3.474	10	20	DGCD	
CC(C)[C@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC1	245651987	COHDAWDHWVSCMX-SHTZXODSSA-N	305.418	3.219	10	20	DGCD	
Cc1noc(C2CCC(NCc3ccc(N(C)C)cc3)CC2)n1	267821071	RGBWUFFQKNWMLB-UHFFFAOYSA-N	314.433	3.260	10	20	DGCD	
CCOC(CCN[C@@H](C)c1ccc(F)c(F)c1O)OCC	276109682	AMJDSLQOAAAFNW-JTQLQIEISA-N	303.349	3.110	10	20	DGCD	
C[C@@H](NCCCOC1CCCC1)c1cc([N+](=O)[O-])ccc1O	273466114	DTMQZXJZMFUICU-GFCCVEGCSA-N	308.378	3.300	10	20	DGCD	
CC[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1O	271713666	OTTVJHXODNGPFM-PBHICJAKSA-N	319.376	3.012	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cc(OC)ccc2O)n[nH]1	277223582	LMUYZDXPLXFUND-QJPTWQEYSA-N	318.421	3.444	10	20	DGCD	
CCc1ccc([C@H](O)CN[C@@H](C)c2cc(OC)ccc2O)cc1	276456805	VLTMEAZPTKRHOY-ORAYPTAESA-N	315.413	3.347	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cncc(C(F)(F)F)c2)cc1	289754329	UYDJEIYSDBQLOM-UHFFFAOYSA-N	323.318	3.096	10	20	DGCD	
CCCCN(CC(=O)c1cccn1C)Cc1ccccc1O	282377304	FQUQRGOVILIZCB-UHFFFAOYSA-N	300.402	3.216	10	20	DGCD	
CC[C@@H](NCCc1nnc(C)s1)c1cccc(Cl)c1O	289926890	VFSLOWYKRFCEOE-GFCCVEGCSA-N	311.838	3.489	10	20	DGCD	
C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O	287384092	PRTKQCXCYRIAJT-JMCQJSRRSA-N	304.268	3.292	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@@H]2CCCN(C(C)=O)C2)cc1	280848866	BJCVACQJTATMAF-RDJZCZTQSA-N	317.477	3.052	10	20	DGCD	
CC[C@H](C)[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)OC	296660276	ZRWRJBDZXFBWCL-TXPKVOOTSA-N	320.477	3.235	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](OC)[C@H](C)CC	297985349	CCTKCVHZCBOCFS-PBHICJAKSA-N	322.449	3.375	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc[nH]c2C(C)C)c1	802782328	SCUIIRJXZYPJSK-NSHDSACASA-N	302.374	3.343	10	20	DGCD	
C[C@H](N[C@@H]1CC12CCNCC2)c1cc2c(cc1O)CCCC2	817977047	ZRSVSBLIYSGKIP-SCLBCKFNSA-N	300.446	3.064	10	20	DGCD	
Cc1ccc(CN(CCO)Cc2cc(Cl)c(F)cc2O)cc1	816567111	QNTJUEKLBJTPIS-UHFFFAOYSA-N	323.795	3.488	10	20	DGCD	
CC[C@H](NC[C@H](N)C1CC1)c1ccc(Cl)c(Cl)c1O	817964486	AGVVBOARGCIGBL-RYUDHWBXSA-N	303.233	3.477	10	20	DGCD	
CC(=O)c1ccc(NC(=S)NNc2ccccc2F)cc1	812474854	GVKHDWNMIZVFQF-UHFFFAOYSA-N	303.362	3.342	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC(F)F)ccc21	729073708	MCWKHKJADPWITO-UHFFFAOYSA-N	311.328	3.326	10	20	DGCD	
Nc1ccc(CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1	817956665	AFFXSJCREPOWCQ-GOSISDBHSA-N	311.385	3.387	10	20	DGCD	
COc1ccc(CN[C@H]2CCO[C@@H](c3ccncc3)C2)cc1C	824949416	YCBDHSBKNKXZPC-PKOBYXMFSA-N	312.413	3.409	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@H]1NCc1cccc(OCC)c1O	827750606	KZPVVAOEGIROML-CRAIPNDOSA-N	321.417	3.002	10	20	DGCD	
O=C(O)[C@H](CC1CCCCC1)NCc1ccc2c(c1)CCO2	901772447	SRCSIQCVYDDVEO-INIZCTEOSA-N	303.402	3.135	10	20	DGCD	
O=C(NCCC1CCC(F)(F)CC1)c1c(F)ccc(O)c1O	900828361	MCKWGKJYYGKURL-UHFFFAOYSA-N	317.307	3.182	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCc1ccc(C)o1	731281120	TZZORSPEASOUEW-UHFFFAOYSA-N	316.401	3.458	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc2nc(C(F)F)[nH]c2c1	730078605	OIXDCFWYPRUUDH-UHFFFAOYSA-N	317.295	3.136	10	20	DGCD	
CCCCNC(=O)CCN(Cc1ccc(N(C)C)cc1)C1CC1	734847067	ARCZIMFLZRTDER-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc2cc(Cl)ccc2[nH]1	748347173	XXLFDKWJJXNKSM-UHFFFAOYSA-N	300.745	3.457	10	20	DGCD	
C[C@H]1CN(c2ccc(CN[C@H](C)C3CC3)cc2F)C[C@@H](C)O1	749125808	HQBQVGBRTMAJFM-HZSPNIEDSA-N	306.425	3.327	10	20	DGCD	
Cc1nc(CCCc2nc(Cc3ccc(N)cc3)no2)cs1	843158991	JYCSDNSDFYOCPO-UHFFFAOYSA-N	314.414	3.183	10	20	DGCD	
COc1ccc(N(C)Cc2ccc3c(c2)CCC(=O)N3C)cc1	844355349	OBXZFZVOCMVJIG-UHFFFAOYSA-N	310.397	3.241	10	20	DGCD	
COc1ccc(N(C)CCOc2ccccc2[N+](=O)[O-])cc1	844353302	LXBKCZZUHMFMRH-UHFFFAOYSA-N	302.330	3.119	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](O)c2ccccc2Cl)c1O	846154003	IMIIJTLEYDOLRW-IAQYHMDHSA-N	321.804	3.438	10	20	DGCD	
O=C(COC1CCCC1)NCc1ccc(N2CCCCC2)cc1	742468372	CWMPBUIIQJICDJ-UHFFFAOYSA-N	316.445	3.252	10	20	DGCD	
NCC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	843112573	HVNHKEGGMFDGPB-KRWDZBQOSA-N	301.478	3.238	10	20	DGCD	
O=C1CCCCC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1	846475669	FALKFRBPKYDEKH-LLVKDONJSA-N	309.793	3.201	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H]1CCCN(C2CCC2)C1	841296485	TYOCZXLGGGSNRC-KBPBESRZSA-N	316.449	3.043	10	20	DGCD	
CC[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N(C)C)cc1	842885325	NCNBUVBGKICEJV-IRXDYDNUSA-N	317.477	3.193	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cc(C(C)C)no2)c1	756573879	SOIWPIZMBFTLMR-NSHDSACASA-N	318.373	3.141	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)C3(Cl)CC3)C2)cc1	926610915	GZCLWLVDHITRJH-ZIAGYGMSSA-N	308.853	3.271	10	20	DGCD	
COC(=O)[C@@H](CC1CCCCC1)NCc1cc(OC)ccc1O	756147827	WJZSWKSDGROBML-MRXNPFEDSA-N	321.417	3.002	10	20	DGCD	
CNC(=O)CC1(CN[C@H](C)c2ccccc2O)CCCCC1	850558118	ZOCZIYMPLCBVBH-CQSZACIVSA-N	304.434	3.129	10	20	DGCD	
CC(C)[C@H](N[C@H](C)c1cc(F)cc(F)c1O)c1cnn(C)c1	927069168	LKKLJLGBNNQOSW-BMIGLBTASA-N	309.360	3.452	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H]2c2ncon2)c1	750020193	XJHHKSCYRVLREW-ZDUSSCGKSA-N	317.389	3.115	10	20	DGCD	
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(N(C)C)cc1	853244627	PJPFAJQQXFCJPT-FUCXHRTASA-N	301.434	3.225	10	20	DGCD	
C[C@H](NC[C@H]1COc2ccccc2C1)c1ccc(F)cc1O	756458194	UGCVLBJGTCJWAK-STQMWFEESA-N	301.361	3.433	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](C(C)(C)C)C2)cc1F	753152613	YEGNHBAQHUGRAN-AWEZNQCLSA-N	321.440	3.469	10	20	DGCD	
CCOC(=O)c1c(CSc2ncc(Cl)s2)n[nH]c1C	850000159	LGLPCYOZDWENPX-UHFFFAOYSA-N	317.823	3.297	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1	850501491	NFXQZQFZKLKQEA-CZMAPVLFSA-N	322.518	3.483	10	20	DGCD	
CC[C@H](Cc1ccc(F)cc1)NC(=O)NCc1ccccc1O	852442198	BOPJETDRFNLJQC-MRXNPFEDSA-N	316.376	3.352	10	20	DGCD	
CCn1nc(C)c(NCc2cc(Cl)cc(OC)c2O)c1C	761216835	QGWIQINEJHUNNI-UHFFFAOYSA-N	309.797	3.500	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC[C@H]2CCCCO2)c1	760905147	JLDBPUYBUZAUDC-DZGCQCFKSA-N	321.417	3.179	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ncc(C)cc2C)cc1	779856322	RGTBXXCHFKVKMZ-UHFFFAOYSA-N	311.429	3.475	10	20	DGCD	
CCOc1ccc(CN[C@H]2CCO[C@@H](CC(C)C)C2)c(O)c1	776948545	FKSXFNCWOLXYMZ-RDJZCZTQSA-N	307.434	3.474	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2conc2C)cc1F	888745326	MZRZLKRNFYFLDE-UHFFFAOYSA-N	320.368	3.290	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CC[C@H](N2CCCCC2)C1	775676949	CPACXBRTYIKKJO-AWEZNQCLSA-N	312.816	3.245	10	20	DGCD	
CC(C)(C)SCCCn1cc(COc2ccc(N)cc2)nn1	881331368	FCPCESMUMDXVOY-UHFFFAOYSA-N	320.462	3.361	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1c(O)cccc1F)NC(=O)OC(C)(C)C	886603112	HKHZKOXYYANVLT-QWRGUYRKSA-N	312.385	3.095	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)c2ccccc2)cc1	792036733	VOBIRTWYDZMCFG-UHFFFAOYSA-N	324.424	3.374	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)OC1CCCCC1	1318575896	CHNQOWAYEFALGV-OAHLLOKOSA-N	318.461	3.415	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C3(F)CCCC3)CC2)cc1	1325748907	NKWFXLTZBKMJDY-UHFFFAOYSA-N	320.408	3.016	10	20	DGCD	
C[C@H](NCC[C@@]1(C)C[C@]1(F)Cl)c1cc(C(=O)O)ccc1O	1604338636	PRIXQXGXSVQMKK-ULKVUYOBSA-N	315.772	3.446	10	20	DGCD	
COc1ccc(CN[C@H](C(=O)O)c2ccc(F)cc2)cc1C	1574214622	ZXNRMZBVMYAPHH-INIZCTEOSA-N	303.333	3.058	10	20	DGCD	
CCN(C)c1ccc(CN2Cc3ccc(C(=O)O)cc3C2)cc1	1596194901	WQXHWGFNPDVYTN-UHFFFAOYSA-N	310.397	3.357	10	20	DGCD	
CN(C)c1ccc(CN[C@@]2(C(=O)O)C[C@]2(C)c2ccccc2)cc1	1777040169	AGWNGEGNNGOZQB-WOJBJXKFSA-N	324.424	3.027	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](CC(C)(C)C)C(=O)O)ccc21	1776875837	MYFWDMKAZHCFCW-MRXNPFEDSA-N	318.461	3.438	10	20	DGCD	
CC(C)(C)CC[C@](C)(NCc1cc(F)cc(F)c1O)C(=O)O	1776246832	KYEQGSUVJQEZCW-INIZCTEOSA-N	315.360	3.430	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C(C)(C)c2cccc(F)c2)c1	151733310	LXNQYGINQYNPFX-UHFFFAOYSA-N	317.360	3.134	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1ccc(C(C)(C)C)nn1	152587556	RTBAMUGASSGCOO-UHFFFAOYSA-N	314.389	3.144	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cc(F)ccc1Cl	129941709	UCVREVLLWRXRFH-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1CN	253193323	OMKRMGYFWZUHIF-MWLCHTKSSA-N	303.233	3.116	10	20	DGCD	
Nc1ccc(CNC(=O)c2c(F)cccc2Br)cc1	160700591	CCTSLJUSUWZTJM-UHFFFAOYSA-N	323.165	3.100	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNC[C@H]1CCCS1	715789294	OOEARNSOXMWXLM-SNVBAGLBSA-N	320.227	3.279	10	20	DGCD	
OC[C@H](NCc1cc(Cl)cc(Cl)c1O)C1CCCC1	395095378	BWNXJMPROHZOCJ-ZDUSSCGKSA-N	304.217	3.340	10	20	DGCD	
C[C@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CN1Cc1ccccc1	398187762	YPNLTPUOXPBHOJ-KSSFIOAISA-N	324.428	3.053	10	20	DGCD	
CC(C)(C)c1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1	109521405	BEYFFXYKBFFDOA-RMKNXTFCSA-N	313.401	3.374	10	20	DGCD	
Cc1ccccc1CNCc1ccc(N2CCN(C)CC2)cc1	107797411	JUNBOBRKOAOOHF-UHFFFAOYSA-N	309.457	3.037	10	20	DGCD	
CC[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	68549187	QHDNKFXIMRQOEX-LSDHHAIUSA-N	319.449	3.024	10	20	DGCD	
C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1O	302992390	FGSXZEIUWKYGCG-WMLDXEAASA-N	314.404	3.456	10	20	DGCD	
COc1cc(N(C)Cc2cccc(F)c2)cc(OC)c1OC	125732341	RUUFSJGBMCYCLW-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@H](O)c1c(F)cccc1F	123981991	ZTBZCQYYPCZRPK-AWEZNQCLSA-N	313.731	3.147	10	20	DGCD	
C[C@H](N[C@@H]1CCCOCC1)c1ccc(Br)cc1O	186234847	LERUSRYUCMLIRS-CMPLNLGQSA-N	314.223	3.374	10	20	DGCD	
COc1cccc(CN[C@H](C)[C@H](c2ccccc2)N(C)C)c1O	185677621	IWDBPAWAICCXCR-RDTXWAMCSA-N	314.429	3.182	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)c2nc(C3CC3)no2)c1	182345824	ORZIKWFKTQTREK-VHSXEESVSA-N	303.362	3.073	10	20	DGCD	
CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)cc(C(C)=O)c1O	48915882	PHOSUMITCAMHFP-YGRLFVJLSA-N	311.809	3.248	10	20	DGCD	
O=C(NCc1cccs1)NCc1c(O)ccc2c1CCCC2	80612748	OOQGVRRJYHOUAP-UHFFFAOYSA-N	316.426	3.332	10	20	DGCD	
CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc(Cl)cn1	89765009	SDGAEJWENYWWDN-XVNBXDOJSA-N	308.168	3.460	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1	237911778	BKWGLNAAOCQHEQ-PKOBYXMFSA-N	308.425	3.339	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)CN2CCC[C@H](C)C2)c1	248485414	DXVSQYMMCZUZKR-KKUMJFAQSA-N	306.450	3.172	10	20	DGCD	
Cc1c(CNC(=O)c2noc3c2CCCC3)n(C)c2ccccc12	348702675	ACWSIZDHGFXCTE-UHFFFAOYSA-N	323.396	3.284	10	20	DGCD	
C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(N(C)C)cc1	271924618	FYRLNIQKCPESTR-CQSZACIVSA-N	324.428	3.455	10	20	DGCD	
CO[C@@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	272778080	XNNCRURZDBTPOL-AWEZNQCLSA-N	304.434	3.059	10	20	DGCD	
CCOCc1cc(CN[C@@]2(C)CCO[C@@H]2C2CC2)ccc1OC	273167526	VFRKSPMSIJHTHJ-MOPGFXCFSA-N	319.445	3.279	10	20	DGCD	
COc1cc(CN(C)Cc2ccccc2N(C)C)c(O)cc1C	808235719	CWJXQEAYBRKOBL-UHFFFAOYSA-N	314.429	3.407	10	20	DGCD	
COC(=O)c1cnc(SCC(=O)c2ccc(C)s2)s1	295275372	KARRDMBYKWEGED-UHFFFAOYSA-N	313.425	3.275	10	20	DGCD	
CC[C@@H](CO)N(Cc1ccccc1)Cc1cccc(OC)c1O	809642668	JBRLHKGFHLSROL-KRWDZBQOSA-N	315.413	3.174	10	20	DGCD	
C[C@H](N[C@H]1CCCNCC1)c1cccc(C(F)(F)F)c1O	817969546	WSGMVWNDQCZSCG-QWRGUYRKSA-N	302.340	3.204	10	20	DGCD	
CON1CCC(N[C@@H](C)c2cccc(C(F)(F)F)c2O)CC1	817588131	LZPGKUHNOZXGQO-JTQLQIEISA-N	318.339	3.087	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)Cn3cc(Cl)cn3)cc12	817762531	UYQHKIQVBDPNMQ-UHFFFAOYSA-N	317.776	3.251	10	20	DGCD	
COCCOC1CCN(Cc2ccc3ccccc3c2O)CC1	816509344	NEANAWPOCFOVNE-UHFFFAOYSA-N	315.413	3.173	10	20	DGCD	
O=C(O)c1cccc(CNCc2cc(Cl)cc(F)c2O)c1	821553055	WUNJQGHPCISCRA-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
CC(C)[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588407975	JLFMGQYSXCUCJM-LYASGUKUSA-N	303.402	3.396	10	20	DGCD	
COc1ccc(CNC(=O)NCC(C)(C)C2=CCCC2)c(O)c1	836674669	QHWNOZCAEZNOOR-UHFFFAOYSA-N	318.417	3.337	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O	831322631	XJMSASLOJFWCBS-IAOVAPTHSA-N	321.392	3.027	10	20	DGCD	
O=C(NCc1ccccc1O)c1cccc(CN2CCCCC2)c1	839613692	WTGRKEJILGXQDC-UHFFFAOYSA-N	324.424	3.308	10	20	DGCD	
Nc1ccc(CC(=O)NCC2(c3ccccc3Cl)CC2)cc1	831481775	UUJRBHFCQDTRIH-UHFFFAOYSA-N	314.816	3.313	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1nccc2occc12	830559683	SKAZPHBILIGIMM-UHFFFAOYSA-N	322.364	3.342	10	20	DGCD	
Cc1occc1CNC(=O)NCc1ccc(N2CCCC2)cc1	919780587	GWKUUXLSNPIJTO-UHFFFAOYSA-N	313.401	3.188	10	20	DGCD	
COc1cccc([C@H](C)NCc2cccc(OC)c2OC)c1O	846140911	IUAWYTJIQGLGTI-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
Nc1ccc(CCNC(=O)NC2(Cc3ccccc3)CCC2)cc1	841960314	MCZLVRUZIGVZCP-UHFFFAOYSA-N	323.440	3.276	10	20	DGCD	
CCCc1cnc(NC(=O)NCCc2ccc(N)cc2)s1	841173630	LXAKMLFMUQYQTG-UHFFFAOYSA-N	304.419	3.042	10	20	DGCD	
O=C(NCc1ccccc1O)NCC1(c2ccccc2)CCC1	748463426	PQTNQYIDQJHEMV-UHFFFAOYSA-N	310.397	3.313	10	20	DGCD	
CC(C)[C@H](N)CNCc1ccc(OCc2ccccc2)cc1O	841030923	PCUMFOAYXNHLQR-GOSISDBHSA-N	314.429	3.044	10	20	DGCD	
CC[C@H](C)CN(CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1	749116377	OMNRLJRXYJPVPI-INIZCTEOSA-N	319.493	3.079	10	20	DGCD	
Cc1ccc([C@@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)o1	742597033	JHUFLCPYPWWODQ-GFCCVEGCSA-N	304.365	3.213	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC1CCN(C2CC2)CC1	840893562	LLJQKYUDALDNRL-MRXNPFEDSA-N	315.505	3.208	10	20	DGCD	
Cc1cc(C)c2c(c1)CN(C(=O)NCCc1ccc(N)cc1)CC2	841958659	HWHOQCZMMFCVBF-UHFFFAOYSA-N	323.440	3.196	10	20	DGCD	
CCc1cccc(CNC[C@](C)(O)c2ccc(F)cc2)c1O	848901171	VXCCOSVRSIATHS-SFHVURJKSA-N	303.377	3.091	10	20	DGCD	
CCOc1ccc(CNCc2nnc(C(C)(C)C)s2)c(O)c1	758497959	VCZMQWFHWDXJPT-UHFFFAOYSA-N	321.446	3.230	10	20	DGCD	
COC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCC1	754207445	NCBSWWLGTPPVPT-UHFFFAOYSA-N	316.445	3.252	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CCc2ccoc2)C2CC2)cc1	753194394	IOEFZHRBNDODOC-UHFFFAOYSA-N	312.413	3.469	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CC(C)(C)OC2(C)C)c1	757630480	KRKAZCCBFXREQZ-IAQYHMDHSA-N	321.417	3.176	10	20	DGCD	
COc1cc(CNC[C@H](C2CC2)N(C)C)c(O)c(C(C)(C)C)c1	850036174	LYIDNDGTBWSRSE-QGZVFWFLSA-N	320.477	3.128	10	20	DGCD	
CCC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	757584651	SMDZVQILSIQFDK-MRXNPFEDSA-N	303.450	3.474	10	20	DGCD	
CCC/C=C/C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	752151508	JCYFEULXWFXJBE-VBGPOXQHSA-N	303.402	3.256	10	20	DGCD	
Cc1cc(CNC(=O)/C=C/[C@H]2CCOC2)c(C)n1-c1ccccc1	863163638	LCHHEVUSHABYTK-IJDCCNJMSA-N	324.424	3.303	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C(C)=O)c2)c1	767957416	HNIZCCGZAUMRLJ-LLVKDONJSA-N	313.353	3.094	10	20	DGCD	
CC(C)CC[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1116017132	HKBXLCWRVQQGDA-INIZCTEOSA-N	321.484	3.492	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCC(F)(F)F)c1	770792337	PEQSWFWOSCIOMI-VIFPVBQESA-N	305.296	3.311	10	20	DGCD	
O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc(O)c1O	776350095	IFZZLTBJQXBZRZ-CYBMUJFWSA-N	311.259	3.131	10	20	DGCD	
CC(C)C1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1	779530833	ATXZCDFQZOCIBG-WMZJFQQLSA-N	303.402	3.442	10	20	DGCD	
CSCC1(CC(=O)Nc2c(Cl)ccc3nonc23)CC1	1118229364	ZTULYBFSRQEQQN-UHFFFAOYSA-N	311.794	3.348	10	20	DGCD	
Cc1cccc(O)c1CNc1cccc(N2CCNC2=O)c1C	877483668	PBAPKYYJCFGYDT-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
Cc1cccc(O)c1CN(Cc1ccco1)C[C@H]1CCCO1	876635214	PUXIQTDBARLYBE-MRXNPFEDSA-N	301.386	3.475	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1cn(C)nn1)Cc1ccccc1O	776008399	GWLYKTQURXLLTE-OAHLLOKOSA-N	322.412	3.284	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H](N)CC2)cc1	870856880	PBTXXFFMTRHWLX-CALCHBBNSA-N	317.477	3.009	10	20	DGCD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	772997349	HFUURJSFCOSREN-NEPJUHHUSA-N	314.433	3.073	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H]2CCN(C)C[C@H]2C)cc1	777469909	PHYQCCFWWSNBLX-VQIMIIECSA-N	303.494	3.305	10	20	DGCD	
Cc1ccsc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773086536	CMXHITAOAZABPR-LBPRGKRZSA-N	324.471	3.162	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCc2ccon2)c1O	779028147	ZGXFTMBJWDVSSM-VIFPVBQESA-N	311.179	3.302	10	20	DGCD	
CN(C)[C@@H](CNCc1cc(F)cc(F)c1O)c1ccsc1	882882561	QJNNONVMQRRIDW-AWEZNQCLSA-N	312.385	3.124	10	20	DGCD	
COc1cc(Cl)cc(CNCc2nc3c(s2)CCC3)c1O	896287275	IVZJZJAINFJHLB-UHFFFAOYSA-N	324.833	3.289	10	20	DGCD	
C[C@H](NCCOC(F)(F)F)c1cc2c(cc1O)CCCC2	788978890	AWRBGGBLUYXENU-JTQLQIEISA-N	303.324	3.458	10	20	DGCD	
COc1ccc(CNC[C@@]2(C)CC2(Cl)Cl)c(O)c1OC	894710758	COAGVOAWHBZSLM-CYBMUJFWSA-N	320.216	3.083	10	20	DGCD	
COc1cc(NCc2ccc(OC)c(OC)c2O)cc(OC)c1	892308134	SAPATDXWEFGJBV-UHFFFAOYSA-N	319.357	3.039	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC[C@H](OC)C2)c1	793688680	GUFLEXBLPRYZKO-IHRRRGAJSA-N	321.417	3.173	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1	798005705	YRGNKTKLZZVZNC-ZOCIIQOWSA-N	300.446	3.362	10	20	DGCD	
COc1ccc(CNC(=O)c2scnc2C(C)(C)C)c(O)c1	794380735	IATWVFYRWOWFRC-UHFFFAOYSA-N	320.414	3.085	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cnn(Cc2cccnc2)c1	1325580460	CAVDTIQHVZBOTE-UHFFFAOYSA-N	321.428	3.313	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCNC(=O)C1CCC1	1323830798	TZGKOPOJOZXLRX-UKRRQHHQSA-N	316.445	3.145	10	20	DGCD	
O=C(NCCC(F)F)NCc1cc(Cl)cc(Cl)c1O	1341692394	CIYXZYFNAZNHJS-UHFFFAOYSA-N	313.131	3.153	10	20	DGCD	
Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(Cl)n1	1344762116	STNHZRXBDYNREV-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
CN(Cc1cccc(Cl)c1O)[C@@H](C(=O)O)c1ccccc1	1606164928	PSQQCFRULNACDP-CQSZACIVSA-N	305.761	3.303	10	20	DGCD	
O=C(O)[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc21	1594903444	UXRCJQSUVXWFHV-DLBZAZTESA-N	309.365	3.024	10	20	DGCD	
CN(C)c1ccc(CN2CCC(C(C)(C)C(=O)O)CC2)cc1	1777039455	WIWGNGWYWHUTOX-UHFFFAOYSA-N	304.434	3.075	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](CC3CCCC3)C(=O)O)ccc21	1776877168	RSXHEQSWNANMME-KRWDZBQOSA-N	316.445	3.192	10	20	DGCD	
OCC1(CNCc2cc(Cl)cc(Cl)c2O)CCCC1	135068616	POOOACCWNRTFGF-UHFFFAOYSA-N	304.217	3.341	10	20	DGCD	
CCOC(=O)C1CCC(NCc2cccc(Cl)c2O)CC1	165029601	MJVJRRUHQPPHCP-UHFFFAOYSA-N	311.809	3.257	10	20	DGCD	
CCCCOc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1	159039258	UIRZPIQWEZBLCX-UHFFFAOYSA-N	315.369	3.207	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Br)ccc2O)[C@H](C)CO1	403839924	SGZROYZOKZFVJK-MFKMUULPSA-N	314.223	3.154	10	20	DGCD	
Cc1nc(CNCc2c(O)cccc2Br)cs1	706821324	CUGAQXDDVPHQMP-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
Cc1cc(Br)cc(CN2CCCOC[C@@H]2C)c1O	398899438	CQUWIIOAAPRXBW-NSHDSACASA-N	314.223	3.074	10	20	DGCD	
COc1cccc(CNC(=O)NCc2ccccc2Cl)c1O	102939640	OZBMCPPTQYJLAP-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@H]2c2cccn2C)cc1OC	179598488	SBCMQCHAARZWGO-HNNXBMFYSA-N	316.401	3.085	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccc(N(C)C)c(F)c2)SC1=S	67734979	LEBLZHKITQXKMW-WQLSENKSSA-N	310.419	3.113	10	20	DGCD	
C[C@H](O)C[C@H]1CCCN1Cc1cc(C(C)(C)C)cc(O)c1O	305251154	KEMMOOLRUYONFP-SWLSCSKDSA-N	307.434	3.131	10	20	DGCD	
COc1ccc(N(C)CC(=O)OCc2ccccc2)cc1F	121716449	VEWVGRDIZBXQFS-UHFFFAOYSA-N	303.333	3.014	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1F	121712927	ZBPKSTCOHHUJSQ-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1cc(OC)ccc1O	132910598	QFECKLVZPQFFBF-YWPYICTPSA-N	306.406	3.340	10	20	DGCD	
COCCCN(CCOC)Cc1ccc(N2CCCCC2)cc1	92220950	HHZKLWUJHFEMGW-UHFFFAOYSA-N	320.477	3.162	10	20	DGCD	
Cc1cc(NCc2ccc(N3CCOCC3)cc2)nc(C2CC2)n1	264647990	OCDXWUUVXIPUIL-UHFFFAOYSA-N	324.428	3.111	10	20	DGCD	
CC[C@H](N[C@@H]1CCN2CCC[C@H]2C1)c1ccc(N(C)C)cc1	363792855	OROXUJWLBWYLLU-NEWSRXKRSA-N	301.478	3.420	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CCO1	279772531	AKKOPAVPISRSKU-YPMHNXCESA-N	316.367	3.429	10	20	DGCD	
CC(=O)C(=O)CSc1nccn1-c1ccc(C(C)C)cc1	289776501	WPOINYRLQHOTEN-UHFFFAOYSA-N	302.399	3.246	10	20	DGCD	
C[C@H]1CC[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C[C@H]1C	295714622	KKJXBRUUJZBCBG-KYEXWDHISA-N	305.418	3.217	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H](C)c1cc(Cl)ccc1O	293663484	IVSSBKLFKMQWJL-NWDGAFQWSA-N	312.841	3.249	10	20	DGCD	
CCC[C@H](CNC(=O)N(CCC)Cc1ccccc1O)OC	297780256	WUBYUSVZAQFYMQ-OAHLLOKOSA-N	308.422	3.129	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(SC)o1	808093540	QEPYCWZHEDEIKE-UHFFFAOYSA-N	312.387	3.123	10	20	DGCD	
Cc1nc([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c(C)s1	817940654	GKZGXMPSMZLZTI-BZNIZROVSA-N	318.490	3.177	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@H](n2ccnc2)C1	816501757	AAHLOPYOIDSXCR-LBPRGKRZSA-N	309.772	3.218	10	20	DGCD	
COC1([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2O)CCOCC1	817587676	HDCVZRPLRYVVJW-NWDGAFQWSA-N	313.825	3.280	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@H]1COc2ccccc2C1	816541833	VWXDNMFUVCYWCY-GFCCVEGCSA-N	307.752	3.278	10	20	DGCD	
C[C@H](NCC[C@@H]1CCNC1)c1ccc(N2CCCCC2)cc1	817955566	ZAPWNVLWKIJNIO-IRXDYDNUSA-N	301.478	3.327	10	20	DGCD	
COC[C@H](C)Oc1ccc(CN(C)Cc2ccccc2O)cc1	824593631	RHXWJWWEIJDPAY-HNNXBMFYSA-N	315.413	3.438	10	20	DGCD	
O=C1C[C@@H](NCc2c(O)cccc2Cl)CN1C1CCCCC1	824153218	DKLBPKFPGKHYRS-GFCCVEGCSA-N	322.836	3.069	10	20	DGCD	
COc1cc(F)cc(CN(C)c2ccc(OC)c(OC)c2)c1	824161298	MZPCMQWEVDSKOX-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
Fc1cc(CN[C@@H](C2CCC2)C2CC2)ccc1N1CCOCC1	834518989	OSMUVIOMYKYMHB-IBGZPJMESA-N	318.436	3.331	10	20	DGCD	
CCN(CC)Cc1cccc(CNC(=O)c2cc(O)cs2)c1	731872125	WVRQJFOVSLFOBM-UHFFFAOYSA-N	318.442	3.226	10	20	DGCD	
Cc1cc(C)cc(C2(C(=O)NCc3ccc(O)cc3O)CC2)c1	910952480	VFOOOCLQQGPWFD-UHFFFAOYSA-N	311.381	3.063	10	20	DGCD	
COc1ccc(N(CC(=O)N2CCC(C)CC2)CC(C)C)cc1	746171181	UECUUCXKGMMSMZ-UHFFFAOYSA-N	318.461	3.416	10	20	DGCD	
CC[C@@H](NC[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	840881651	PHIJIAKMYLBVJQ-CXAGYDPISA-N	321.367	3.487	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2cscc2C)cc1	844855442	WGFBQPJMPDYRDG-UHFFFAOYSA-N	318.442	3.274	10	20	DGCD	
N=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccccn1	849077794	OXBZIEJQFRALKT-UHFFFAOYSA-N	311.172	3.230	10	20	DGCD	
O=C1CCCN1[C@H]1CCCN(Cc2cccc(Cl)c2O)CC1	840974917	QKHISMWVMPRMEC-AWEZNQCLSA-N	322.836	3.023	10	20	DGCD	
COc1cccc([C@H](C)NC[C@]2(C)CCO[C@@H]2C2CC2)c1O	846165686	XQCVWQWLRHKRGG-RZAIGCCYSA-N	305.418	3.257	10	20	DGCD	
C[C@@H](N[C@H]1CCC[C@@H]2C[C@H]12)c1ccc(N2CCOCC2)cc1	840818046	GIEFTOGEIWLNRF-JZGRTCEGSA-N	300.446	3.362	10	20	DGCD	
CSC(C)(C)CNC(=O)NCc1ccc(N(C)C)cc1C	743710536	VXWZZGCZELDBMT-UHFFFAOYSA-N	309.479	3.002	10	20	DGCD	
C[C@H](N[C@@H](COC(=N)O)Cc1ccccc1)c1ccccc1O	840862782	IEXGTHVADSGDEB-DZGCQCFKSA-N	314.385	3.163	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC(Cc2ccc(F)c(F)c2)C1	754467719	GDNGALSQEXETQD-UHFFFAOYSA-N	309.337	3.047	10	20	DGCD	
CC[C@](C)(CC(=O)OC)NCc1cc(Cl)cc(F)c1O	757920900	STALFBAFYHVQFB-CQSZACIVSA-N	303.761	3.006	10	20	DGCD	
Cc1cc(O)c(CNc2ccccc2C[S@@](C)=O)cc1C	762557125	SXHYADUEZIFXDM-OAQYLSRUSA-N	303.427	3.500	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1	866462896	CPUUAHXZFJNOOS-BPNCWPANSA-N	305.340	3.299	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(Cc3ccccc3)C[C@H]2C)c1	769404076	NFRVAFKPJLIDSS-QGZVFWFLSA-N	310.441	3.407	10	20	DGCD	
Cc1sc2nc(CN(C)c3ccc(N)cc3)nc(O)c2c1C	863558785	XNDMPHQUNHFBDY-UHFFFAOYSA-N	314.414	3.232	10	20	DGCD	
CC(C)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1	773020650	PXRXMBNLLIAIEK-GFCCVEGCSA-N	301.390	3.355	10	20	DGCD	
COc1ncc(/C=C/C(=O)N(C)c2ccc3ccccc3c2)cn1	775771595	BTDGLEYKILGHAV-JXMROGBWSA-N	319.364	3.315	10	20	DGCD	
COC1CCN(c2ccc(CN3CCC(F)CC3)cc2)CC1	880239962	UNVMHOJYDJNLSH-UHFFFAOYSA-N	306.425	3.236	10	20	DGCD	
COc1ccc(N(C)CCCNC(=O)OC(C)(C)C)cc1OC	775063577	TXWRHSVTRVQSLN-UHFFFAOYSA-N	324.421	3.055	10	20	DGCD	
O=C1C[C@H](NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CN1	789833872	NWKRFJDTOUZMIO-HNNXBMFYSA-N	323.356	3.112	10	20	DGCD	
CCSCc1ccccc1C(=O)NCc1ccc(O)c(O)c1	789995018	DZCNPQUGZQPVDW-UHFFFAOYSA-N	317.410	3.281	10	20	DGCD	
COc1cc(O)c(CNc2cnc3c(c2)CCCC3)cc1OC	783596079	ADWMUQINFXZHBR-UHFFFAOYSA-N	314.385	3.295	10	20	DGCD	
Cc1ccoc1CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C	898449657	IPVOFTOKXPFPLU-KRWDZBQOSA-N	301.434	3.047	10	20	DGCD	
Cc1ccn(-c2ccc(NCc3cc([N+](=O)[O-])ccc3O)cc2)n1	790653816	YWAACMKSUKFALU-UHFFFAOYSA-N	324.340	3.407	10	20	DGCD	
COc1ccc(CNc2cc(Br)ccn2)c(O)c1	795285906	VLFNSBQFFJRZNY-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
COC1(CNCc2ccc(N(C)C)cc2C(F)(F)F)CCC1	793068811	ZYNTXMCQGILCIF-UHFFFAOYSA-N	316.367	3.430	10	20	DGCD	
CC[C@H]1CCCCN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1336893591	LQMUNZSZHICJQT-KRWDZBQOSA-N	319.468	3.342	10	20	DGCD	
O=C(O)[C@H](NCc1cc(Cl)c(F)cc1O)c1ccccc1	1602209298	NQAQETKOKVGRDW-CQSZACIVSA-N	309.724	3.100	10	20	DGCD	
C[C@H]1C[C@@H](NC2CCC(C(=O)O)CC2)c2c(O)ccc(F)c21	1589291459	IVFRCODADDSPPC-HHISKICNSA-N	307.365	3.313	10	20	DGCD	
Cc1cncc(/C=C\C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)c1	1594432636	RWGSRWQSEWWNIA-MWWKQMNYSA-N	322.364	3.008	10	20	DGCD	
CCC(CC)C(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1	1754260411	YZKLDRVHVJCYIV-AWEZNQCLSA-N	306.450	3.034	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)c1ncc(C(=O)O)s1	1777071260	SBWRKXNCQBYORC-UHFFFAOYSA-N	317.414	3.078	10	20	DGCD	
CS[C@H](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	152875942	XDMOSKQDGQTBDF-UKRRQHHQSA-N	323.458	3.041	10	20	DGCD	
C[C@@](O)(CNCc1c(O)cccc1Cl)c1ccc(F)cc1	157813765	GBUYODSDLAIBOB-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
CCN(Cc1cc2c(cc1O)OCO2)Cc1c(F)cccc1F	101538524	DHIGPTOPEYFEAQ-UHFFFAOYSA-N	321.323	3.421	10	20	DGCD	
COc1ccc(NC(=O)NCCCSc2nccs2)cc1	115171226	MKGRDNGNUMUHNR-UHFFFAOYSA-N	323.443	3.456	10	20	DGCD	
COc1ccc(N2CCC(Nc3cccc(F)n3)CC2)cc1	301147188	BHJWVUSGACTUCI-UHFFFAOYSA-N	301.365	3.310	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1occc1-c1ccccc1	122237877	NKQJGCBBNJRYJQ-UHFFFAOYSA-N	323.348	3.330	10	20	DGCD	
COC[C@@H](C)CN[C@H](C)c1cc(Br)ccc1O	185148389	PQKDAEMJLVZWSY-VHSXEESVSA-N	302.212	3.088	10	20	DGCD	
C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	125967824	VLWCMAZGMGALSH-NVXWUHKLSA-N	313.445	3.441	10	20	DGCD	
C/C=C/C[C@H](CO)N[C@@H](C)c1cc(Br)ccc1O	186520028	ZUMHXGQEXISFSZ-KJDJKKKBSA-N	314.223	3.132	10	20	DGCD	
C[C@@H](Nc1cnn(Cc2ccccn2)c1)c1cc(F)ccc1O	186390765	RPXDBKRLZLEJRL-GFCCVEGCSA-N	312.348	3.344	10	20	DGCD	
CCOCc1cc(CN[C@H](CCO)c2ccco2)ccc1OC	184500111	CWGRBTAOONYQEI-MRXNPFEDSA-N	319.401	3.038	10	20	DGCD	
CC[C@H]1[C@H](C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	188090987	LKERYTKIDPGMTH-QAPCUYQASA-N	313.445	3.393	10	20	DGCD	
Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1ccccc1O	42117188	ZGGFHSNJLHKVNE-UHFFFAOYSA-N	319.788	3.391	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1	91957517	CWHZSMZKBOQJGL-MSOLQXFVSA-N	314.429	3.434	10	20	DGCD	
CSC[C@@H]1CCCN1Cc1cc(Br)ccc1O	93760552	DLMRGRFAAGSUJL-LBPRGKRZSA-N	316.264	3.482	10	20	DGCD	
CCOCc1cc(CNC[C@H]2CCCSC2)ccc1OC	288357196	CQFKIGQEIPMRIU-OAHLLOKOSA-N	309.475	3.465	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1	372116515	PFWKSTACFYCVCY-GOSISDBHSA-N	308.425	3.293	10	20	DGCD	
C[C@@H](NCc1cncn1C)c1ccc(N2CCCCC2)c(F)c1	289655124	GKQORMIUTKBXJU-CQSZACIVSA-N	316.424	3.400	10	20	DGCD	
CC[C@@H](N[C@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1O	375647662	FKQXDQAUKITCCJ-DOTOQJQBSA-N	311.429	3.397	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@](C)(CO)c2ccccc2)c1O	389612132	YCAABABUJUQOGQ-KRWDZBQOSA-N	321.804	3.052	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccc(O)c1O	282438774	HZLGJQOLPBLKJP-UHFFFAOYSA-N	315.369	3.246	10	20	DGCD	
COc1ncc(CN[C@@H](C)c2cc(F)ccc2O)cc1Cl	296278946	DYEIYGKYWLCRJF-VIFPVBQESA-N	310.756	3.439	10	20	DGCD	
CSCc1cnc(CN(C)c2ccc3c(c2)OCO3)s1	293701248	TVWAZDAQMCNBQB-UHFFFAOYSA-N	308.428	3.371	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCC(=O)N2CCCCC2)c1O	808677520	BGBMILPXQHZWCH-ZDUSSCGKSA-N	324.852	3.407	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)[C@H]1OCCc2sccc21	291680322	HPGZDZUANTUJAV-KPZWWZAWSA-N	315.438	3.475	10	20	DGCD	
COc1ccc([C@H](O)CNCc2ccc3ccccc3c2O)cc1	816532502	KKGAQBOQXRSAEY-LJQANCHMSA-N	323.392	3.377	10	20	DGCD	
C[C@H](NC[C@@H](N)C1CC1)c1ccc(N2CCCCC2)c(F)c1	817965614	SCYGDSOZGTYXLM-SUMWQHHRSA-N	305.441	3.204	10	20	DGCD	
CC[C@H](NCCc1nccnc1C)c1cc(Cl)ccc1O	815651135	KYFNTOITJYNGAD-AWEZNQCLSA-N	305.809	3.427	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O	815578311	LWGFLJHDTZDPHS-RYUDHWBXSA-N	316.367	3.403	10	20	DGCD	
CCC(=O)COC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	727181523	GHEHREKMJXJWJN-UHFFFAOYSA-N	315.369	3.239	10	20	DGCD	
CC(C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)=C1CCC1	827557918	RMZQFBKLRTWKNO-KRWDZBQOSA-N	315.413	3.400	10	20	DGCD	
CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1	820539827	IPFIYJSBXVZZEU-UHFFFAOYSA-N	318.398	3.234	10	20	DGCD	
Cc1ccoc1CNC(=O)NCc1c(C)c2ccccc2n1C	490409370	KAQXTZBITMXBLT-UHFFFAOYSA-N	311.385	3.388	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCOC(C2CC2)(C2CC2)C1	827537430	BIPSXBJABWQLFQ-UHFFFAOYSA-N	307.821	3.437	10	20	DGCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1F	588403772	OQHGNBZXPCRYLO-WXGCRTCVSA-N	319.307	3.267	10	20	DGCD	
CCN1CCN(C(=O)/C=C\c2scnc2C)c2ccccc21	588518616	ZYFJRVDDBTWWPB-HJWRWDBZSA-N	313.426	3.338	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)CCN)c(C)n1-c1ccc(Cl)cc1	834453030	MWUPECFVLPFTNR-LLVKDONJSA-N	319.836	3.215	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cc(C)c(C(=O)O)o2)c1	833733970	XDRUYMJIRQMTRK-MNOVXSKESA-N	319.357	3.412	10	20	DGCD	
O=C(NCc1ccc(N2CCSCC2)cc1)OC1CCC1	830057313	PXOJWIGEXFAYIR-UHFFFAOYSA-N	306.431	3.019	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cc(C(=O)O)ccc2F)c1	833733515	JJGDMFCEFLWXGO-SNVBAGLBSA-N	319.332	3.089	10	20	DGCD	
Cc1cccnc1[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1	911762182	WTDCZUGZMACURX-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCNCc2ccccc21	841035257	JKWHUSRVCZGTEQ-UHFFFAOYSA-N	306.768	3.295	10	20	DGCD	
CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1	841298325	ADTBJRFFWLMIBO-WFASDCNBSA-N	316.405	3.113	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCCC[C@H]2C2CC2)cc1	841045303	JRVQKYCZJGECGW-OTWHNJEPSA-N	301.478	3.311	10	20	DGCD	
C[C@@H]1CC[C@@H](C)C1NCc1ccc(N2CCC(CO)CC2)cc1	924760997	SIIXYZCKZONNLE-HZPDHXFCSA-N	316.489	3.420	10	20	DGCD	
CCOC(=O)C(C)(C)C(=O)CSc1ncc(Cl)s1	850000179	LRQGOOCTYCVOHU-UHFFFAOYSA-N	307.824	3.047	10	20	DGCD	
COCc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1	857547795	UJEUGAIOMDMPRF-UHFFFAOYSA-N	305.761	3.122	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2c(OC)cccc2OC)c1	850505786	YCROBANAEPPGHU-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cncc(F)c1	759171849	MXERSERYSXUOCN-UHFFFAOYSA-N	313.376	3.141	10	20	DGCD	
CN(c1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1	850751275	ZDSOWBJESZBUDZ-QGZVFWFLSA-N	310.401	3.011	10	20	DGCD	
C[C@@H](NCCOC[C@@H]1CCCO1)c1ccc2ccccc2c1O	756582870	JUYVIBISBRNYOS-ZBFHGGJFSA-N	315.413	3.392	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)ncc1F	932942857	HBZPEHWIWLYBFD-UHFFFAOYSA-N	321.783	3.179	10	20	DGCD	
C[C@H](NCc1cc2c(nc1O)CCCC2)c1ccc(F)cc1O	866640658	IEKXHERBZSZPMJ-NSHDSACASA-N	316.376	3.362	10	20	DGCD	
CCC[C@@H]1C(=O)NCCN1Cc1cc(-c2ccccc2)ccc1O	769514723	LCRSLHOQURYWTD-GOSISDBHSA-N	324.424	3.160	10	20	DGCD	
COc1cccc(O)c1CN1CCCO[C@H](c2ccccc2)C1	769316365	OETGOCNKTVTGHP-IBGZPJMESA-N	313.397	3.364	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)o1	866478233	IGKDWANITFSGSR-CQSZACIVSA-N	318.392	3.415	10	20	DGCD	
COc1ccc2c(c1)OC[C@H](NCc1c(O)cccc1Cl)C2	767418173	UYLWVLXRAWIWNM-GFCCVEGCSA-N	319.788	3.148	10	20	DGCD	
c1ccc(C[C@@H]2CCN2Cc2ccc(N3CCOCC3)cc2)cc1	769505527	CVUNOKKVMWWMFP-NRFANRHFSA-N	322.452	3.340	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]2C(C)(C)C)c1O	774877432	XLKWIAJOKNPSIX-CYBMUJFWSA-N	308.378	3.320	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)CC(C)(C)C)CC2)cc1	1116350830	OTIOEUBKOTWJSC-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
C[C@H](CNCc1cc(Cl)c(F)cc1O)CC1(C)OCCO1	877670440	QCRQPKACOOKGNE-JTQLQIEISA-N	317.788	3.064	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1	773417686	LLOGBMMLQSERJN-HIFRSBDPSA-N	319.449	3.070	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1O	774963995	MOWITFDTXHGWTB-AAEUAGOBSA-N	308.378	3.367	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776931489	SBWDLUCQONCPCO-VMPCVLLUSA-N	315.442	3.408	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CC34CCCCC4)cc2)CC1	883174499	LTFLUYIFTWACSN-LJQANCHMSA-N	314.473	3.460	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@H](C)c2c(O)cccc2F)cc1	886543494	PSIXCZJEJUFXLB-MLGOLLRUSA-N	319.376	3.314	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H]2CCOc3ccccc32)c1O	894251569	VZBPRNRCTLOBRP-AWEZNQCLSA-N	313.397	3.365	10	20	DGCD	
C/C=C(\C)C(=O)N[C@H](C)C[C@H](C)NCc1ccc(OC)c(C)c1	1134051648	NFQZXFVMARTHGU-NVSXCDJOSA-N	318.461	3.343	10	20	DGCD	
COc1cc(C)cc(CN(C)Cc2cnc(C(C)C)nc2)c1O	799581298	KWLLRIDUZFCHLO-UHFFFAOYSA-N	315.417	3.255	10	20	DGCD	
CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1	793241367	NIKSZCCKMRFGAX-CRAIPNDOSA-N	318.461	3.354	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cnoc1C1CC1	1319342993	XZMANCPLQCBFHQ-UHFFFAOYSA-N	312.369	3.066	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](CCO)C1CCOCC1	1325506486	PZNZITIEBGZUJG-FVQBIDKESA-N	319.445	3.016	10	20	DGCD	
CC[C@@H](NCc1ccc(OC)c(OC)c1O)c1nc(C)cs1	1334169428	BTRBBYTUMIMPIJ-GFCCVEGCSA-N	322.430	3.415	10	20	DGCD	
CC(C)N(Cc1ccco1)c1nnc(-c2sccc2O)n1C	1339452559	APQOPIPFYLZAMD-UHFFFAOYSA-N	318.402	3.257	10	20	DGCD	
Oc1ccc2c(c1)C1(CC1)CN(Cc1cc(F)cc(F)c1O)C2	1262111702	NIJWKPQQFVUEOQ-UHFFFAOYSA-N	317.335	3.423	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H]2CCCN(Cc3ccccc3)C2)c1	113321195	ARONTFPPPCCHRM-LJQANCHMSA-N	310.441	3.455	10	20	DGCD	
O=C(O)c1cnc(S[C@@H]2CCO[C@@H](c3ccncc3)C2)s1	1602537209	NKOSWBDPKNMLJB-GHMZBOCLSA-N	322.411	3.249	10	20	DGCD	
CCc1cccc(CN(CCc2ccccc2)CC(=O)O)c1O	1605830883	WGKGOHFHLNDKBJ-UHFFFAOYSA-N	313.397	3.084	10	20	DGCD	
COC[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)c1ccc(C)o1	1610249627	RJVCKQFVZWPTCT-RISCZKNCSA-N	319.357	3.030	10	20	DGCD	
Nc1ccc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)cc1	1580445475	FXQAVIWCTJMMBF-OAHLLOKOSA-N	310.319	3.111	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CCC[C@@H]3C[C@H]32)cc1	1776861166	JSPFEEHCZVMECK-SZVBFZGTSA-N	316.445	3.266	10	20	DGCD	
Cc1cc(O)c(CN(C)c2ccccc2S(C)(=O)=O)cc1C	164828247	VYKMBWBVNYXGBN-UHFFFAOYSA-N	319.426	3.049	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCC1CCOCC1	175867904	FAWMCWCJDKSRLF-UHFFFAOYSA-N	305.418	3.338	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc(F)ccc2O)cc1OC	176981127	BIJCVLASEBSJIZ-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
CCOc1cc(NCc2cccc(OC)c2O)ccc1OC	122385792	XHBXZBCZWAMKPP-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
CCOC(=O)c1ccc(CN[C@H](C)c2cc(OC)ccc2O)o1	182336916	OQVFJAWIBYLILS-LLVKDONJSA-N	319.357	3.021	10	20	DGCD	
C/C=C/C[C@@H](CO)N[C@H](C)c1cc(Br)ccc1O	186520046	ZUMHXGQEXISFSZ-YGEYTSGZSA-N	314.223	3.132	10	20	DGCD	
CC(C)[C@@H]1CCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	316656092	WIQYJKMDQIGLEN-WOLRVDTOSA-N	304.346	3.317	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](CO)C1	126438154	ORYIWVOWCUMIFG-AWEZNQCLSA-N	318.442	3.000	10	20	DGCD	
Cc1cc(C(N)=O)ccc1NCc1ccc(N2CCCC2)cc1	319873192	WAMLCMKHRJNKAX-UHFFFAOYSA-N	309.413	3.306	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)NCCC(C)C	76074109	PBBOXHAYCHEHCX-HNNXBMFYSA-N	306.450	3.155	10	20	DGCD	
CC(C)n1ncc2ccc(NC(=O)c3cccc(O)c3O)cc21	192992974	DGEKINKEBGHIOV-UHFFFAOYSA-N	311.341	3.281	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccsc1	48977159	MCBLANVTCUGBCC-UHFFFAOYSA-N	315.442	3.348	10	20	DGCD	
Cc1ccc(O)c([C@H](C)Nc2ccc(OCCC(N)=O)cc2)c1	192719901	NVYYUVTVFPNKGE-ZDUSSCGKSA-N	314.385	3.128	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H](C)N2CCCCC2)c1O	228671709	MWXLNXXHOSMTBE-GFCCVEGCSA-N	312.841	3.018	10	20	DGCD	
CCN1CCN(c2ccc(CNCC(C)(C)C)cc2F)CC1	236896102	WJZCVJLDRULISZ-UHFFFAOYSA-N	307.457	3.103	10	20	DGCD	
Cc1ccc([C@@H]2COCCN2Cc2ccc(N(C)C)cc2)o1	93459573	BRDOWWHSHRPSEE-KRWDZBQOSA-N	300.402	3.228	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2ccncc2)c1O	91986313	CGOOIBJKSMOGRB-LLVKDONJSA-N	302.349	3.322	10	20	DGCD	
CCN(C(=O)Cc1ccc(N)cc1)[C@H](C)c1cccc(OC)c1	237043330	STZSOSSAGPDKJN-CQSZACIVSA-N	312.413	3.430	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)cc1)NCc1ccc(O)c(O)c1	255757159	UDUKLBDNOAUPJU-YWEYNIOJSA-N	303.745	3.081	10	20	DGCD	
CCN(C(=O)/C=C/c1cnn(C)c1C)c1ccccc1Cl	270369758	SXGUVUPWYSLPQD-MDZDMXLPSA-N	303.793	3.448	10	20	DGCD	
CC[C@H](NCC(=O)N(C)C1CCCCC1)c1ccccc1O	271687378	JPVXTESQXJEJHI-INIZCTEOSA-N	304.434	3.224	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@H]3CCOC3)C2)c1O	366659326	XGJIJNXLDZUUSW-OLZOCXBDSA-N	323.820	3.107	10	20	DGCD	
Cc1cnc(N2CCN(Cc3cccc(Cl)c3O)CC2)s1	271884873	VUWPWPGVOLMMMZ-UHFFFAOYSA-N	323.849	3.133	10	20	DGCD	
Cc1noc(C[C@H](NCc2cccc(C)c2O)c2ccccc2)n1	277364520	FJIOWXIWTGYQFB-KRWDZBQOSA-N	323.396	3.466	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H](CO)Cc2ccc(F)cc2)c(O)c1	273513186	SEFOJZSQEYRDAD-XJKSGUPXSA-N	303.377	3.094	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCc2cccc(C(N)=O)c2)c(O)c1	294689534	ILRDJWADBNVZDO-CQSZACIVSA-N	312.413	3.001	10	20	DGCD	
O=C(NC1CC1)c1cccc(CN[C@@H]2CCc3cccc(O)c32)c1	297734138	NRMJZFSGZHUQSM-QGZVFWFLSA-N	322.408	3.062	10	20	DGCD	
CSCc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1	804702221	UVLCRENRKGFHIP-UHFFFAOYSA-N	317.410	3.199	10	20	DGCD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N)cc1	297118244	GHXVNHWTFRMYLJ-XKQJLSEDSA-N	304.434	3.259	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C2(C(F)F)CCCC2)cc1F	808327461	ALWHSZQCJGYALY-UHFFFAOYSA-N	314.351	3.333	10	20	DGCD	
Oc1c(CNC[C@@H](O)COc2ccccc2)ccc2ccccc12	816532907	AMIYQWVABZVQGB-QGZVFWFLSA-N	323.392	3.075	10	20	DGCD	
CCOc1cccc(CNc2cccc(CC(=O)O)c2)c1O	818251149	LXOCWQUQECHULB-UHFFFAOYSA-N	301.342	3.030	10	20	DGCD	
COC1([C@H](C)N[C@@H](C)c2cc(Cl)ccc2O)CCOCC1	817587677	HDCVZRPLRYVVJW-RYUDHWBXSA-N	313.825	3.280	10	20	DGCD	
CCN(Cc1cc(C)cc(Br)c1O)C[C@H](C)OC	812808169	ADBTZZWLISIJKX-NSHDSACASA-N	316.239	3.320	10	20	DGCD	
CCCNCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	817963942	YVVOMGWWDTYHCO-OAHLLOKOSA-N	307.457	3.466	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](n3ccnn3)C2)cc1C(C)C	819894733	AKKAYMJYMDASHY-MRXNPFEDSA-N	314.433	3.253	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCOC[C@@H](C2CCC2)C1	814178413	PCWIOJBGPPAYEK-ZDUSSCGKSA-N	313.800	3.433	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccnc(Cl)c1	817939891	CZZLFMAMADQPMA-LRDDRELGSA-N	318.852	3.152	10	20	DGCD	
CCc1nocc1C(=O)N(C)Cc1ccc(N(CC)CC)cc1	819974130	IJVJZOVUNOQAJK-UHFFFAOYSA-N	315.417	3.355	10	20	DGCD	
CC[C@@H]1c2ccccc2CN1Cc1cc2c(cc1O)OC[C@@H]2O	902666446	PYJODNOCLBSDGL-AEFFLSMTSA-N	311.381	3.285	10	20	DGCD	
CCOc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)c(O)c1	827640357	VWMRJDASJWJJSM-GOSISDBHSA-N	313.397	3.444	10	20	DGCD	
Oc1c(Br)cccc1CN1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	824490052	TXANEGYNQYMHLM-AUZPSNTRSA-N	320.230	3.409	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1[C@H]2CCC[C@H]21	839920466	PSEJPQXOXMDTAH-VIBAHUMZSA-N	300.446	3.154	10	20	DGCD	
C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	733806636	GMTDNZZYXNRQRA-KGLIPLIRSA-N	322.474	3.180	10	20	DGCD	
CCc1nnc(CN2CCCc3cc(OC)cc(OC)c32)s1	839654955	CUXRIQWFQANUIQ-UHFFFAOYSA-N	319.430	3.071	10	20	DGCD	
CC[C@H](SC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839920080	KKOUUYJOKDPTEQ-BBRMVZONSA-N	308.491	3.250	10	20	DGCD	
CC(C)c1ncsc1NC(=O)NCCc1ccc(O)c(O)c1	836742955	UPALUZGVWUOEJY-UHFFFAOYSA-N	321.402	3.042	10	20	DGCD	
CCOCCCC(=O)N(C)Cc1ccc(N(CC)CC)cc1	915636056	BVKPSWWCTOOKNG-UHFFFAOYSA-N	306.450	3.308	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccoc1C	919782415	WHCMDTDLVIDFNT-UHFFFAOYSA-N	315.417	3.386	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc2c(c1)CNC2)c1ccc(N(C)C)cc1	841333636	ZWSZHWWODDQJPO-CYBMUJFWSA-N	324.428	3.239	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(Cl)cc1O	841748234	IKTZZAMBOPRSOD-DETPVDSQSA-N	311.809	3.034	10	20	DGCD	
CCOc1ccc(CN[C@@H](COC)Cc2ccccc2)c(O)c1	747100513	JAFZFXBPVNTKFO-QGZVFWFLSA-N	315.413	3.138	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCS[C@@H]2C)c(C)n1-c1ccccn1	844115876	PPOJCPMYZAQDPT-HIFRSBDPSA-N	315.442	3.113	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1(C2CC2)CC1	840477871	ARUAJWPTFXMYBR-CQSZACIVSA-N	315.461	3.234	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)C3(Cl)CC3)CC2)cc1	924907745	SDIYIHJOADVLPK-ZDUSSCGKSA-N	308.853	3.414	10	20	DGCD	
Oc1cc2c(cc1CNc1cnn(C3CCCC3)c1)OCO2	922625175	JGYGBPLDVXXJAT-UHFFFAOYSA-N	301.346	3.045	10	20	DGCD	
C[C@H]1CCN(CCN[C@H](C)c2cc3c(cc2O)CCCC3)C1	756626258	BJUOXVZWHIXJBL-LSDHHAIUSA-N	302.462	3.263	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCOc3ccc(F)cc32)c1O	756058694	WQMWDGVKDDVOEI-UHFFFAOYSA-N	319.307	3.272	10	20	DGCD	
CCC[C@H](OCC)C(=O)N(CC)Cc1ccc(N(C)C)cc1	858825949	AYFBFQUCSIPLGM-KRWDZBQOSA-N	306.450	3.306	10	20	DGCD	
CC[C@@](C)(CCO)NCc1cc(OC)cc(C(C)(C)C)c1O	850190831	MHYRNYLEIIGFEH-SFHVURJKSA-N	309.450	3.339	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(F)cc2)c1	756339613	DFGINXNJMKBTOT-LLVKDONJSA-N	303.333	3.169	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCCC[C@@H]2c2ncc[nH]2)cc1F	862237396	NTHDSVQQIJWLJV-OAHLLOKOSA-N	320.387	3.481	10	20	DGCD	
CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(F)c1O	768266991	ZHORAXFTPUGZEJ-CQSZACIVSA-N	306.724	3.381	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cc(F)ccc2N(C)C)c1	877534061	WMWCYSRRAPNGPY-LBPRGKRZSA-N	318.392	3.457	10	20	DGCD	
CCOc1ccc(CNCC2([C@@H](C)CCO)CCC2)c(O)c1	776257345	LUPZKZMARDHAOL-AWEZNQCLSA-N	307.434	3.069	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H](C3(C)OCCO3)C2)cc1	773840188	PHTLIBJNYMIMJY-QGZVFWFLSA-N	318.461	3.118	10	20	DGCD	
CC1=C(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)CC1	877495039	RSQHXQNONQPZEH-UHFFFAOYSA-N	300.446	3.190	10	20	DGCD	
Cc1ccc(CNCC2CCN(c3ccncc3)CC2)c(O)c1	877137194	RUIISGXQZHUEHM-UHFFFAOYSA-N	311.429	3.102	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](C)C(C)(C)C2)c1O	775062540	AYKJLDCERHFBLQ-NSHDSACASA-N	308.378	3.177	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCN2CCCC(C)(C)C2)c1	774488930	SDCFYQUOVUQTFT-AWEZNQCLSA-N	306.450	3.173	10	20	DGCD	
CCN(C)c1ccc(Cn2cc(-c3csc(C)n3)nn2)cc1	881316923	YCZYDSUOQNTGJC-UHFFFAOYSA-N	313.430	3.214	10	20	DGCD	
Oc1c(Br)cccc1CN1CCC[C@H]1c1ncc[nH]1	783672941	KTKUOQUSRBQFFI-LBPRGKRZSA-N	322.206	3.215	10	20	DGCD	
COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ccccc1O	789777525	WMAXWJUAERDDGB-IRXDYDNUSA-N	311.381	3.271	10	20	DGCD	
COc1ccc(CNc2ccc(F)c([C@@H](C)O)c2)c(O)c1OC	894434557	GKTZQYDPQAPUFB-SNVBAGLBSA-N	321.348	3.214	10	20	DGCD	
COc1ccc(CNCc2occc2Br)c(O)c1	793387899	BVVOCHXZKNDQJS-UHFFFAOYSA-N	312.163	3.046	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2CCN(Cc3ccccc3)C2)cc1	192920206	IXLSBLCQJOEHIM-HXUWFJFHSA-N	323.484	3.364	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(C(F)F)cc1	794936227	WNCSPLQHCCSRCQ-GXDHUFHOSA-N	314.291	3.086	10	20	DGCD	
CCCCC[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)OC	792180750	SYUDDBDNHQNMNV-LBPRGKRZSA-N	317.788	3.396	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Br)ccc2O)C[C@H](C)O1	92486740	LJWNGPQPPDATNA-GWCFXTLKSA-N	314.223	3.154	10	20	DGCD	
CCOC[C@@H]1CCN(Cc2cccc(Br)c2O)C1	93839102	NFTPUEXGGYTKRM-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
CN(Cc1cc(F)cc(F)c1)C(=O)/C=C/c1ccc(O)c(O)c1	1320917350	ICIFKHSMCBCOAK-HWKANZROSA-N	319.307	3.048	10	20	DGCD	
Nc1ccc(CNC(=O)NCC2(Cc3ccccc3)CC2)cc1	1338587908	DWUHTNMTZGNGCT-UHFFFAOYSA-N	309.413	3.091	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCCC[C@@H]1O	1341944715	KPYFMDXQPHOADB-HKUYNNGSSA-N	302.462	3.270	10	20	DGCD	
C[C@H](NCc1ccc(N)cc1)c1cccc(N2CCCC2=O)c1	1345160152	SKCDDBFKZJNIDO-AWEZNQCLSA-N	309.413	3.246	10	20	DGCD	
C[C@H](NCc1ccsc1C(=O)O)c1ccc(N(C)C)cc1	1609782487	SCWQDKNDMYEMMC-NSHDSACASA-N	304.415	3.363	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCCc2ccccc21	1548791564	UGRJZYFSQRJGCC-MRXNPFEDSA-N	311.381	3.224	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC[C@H](O)C1	230670689	ZXSQYNSVLWIDLW-SKDRFNHKSA-N	304.217	3.340	10	20	DGCD	
CN(Cc1ccccc1OCCCCO)c1ccc(N)cc1	1578496860	WZYGXCSDHCPOGS-UHFFFAOYSA-N	300.402	3.057	10	20	DGCD	
COCCCNC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1	164299044	RLKZUQWXJHIAAS-JTQLQIEISA-N	316.492	3.074	10	20	DGCD	
Oc1ccc(Br)cc1CNC[C@H]1CCCS1	152601585	SJQVVKPJNSQPNY-LLVKDONJSA-N	302.237	3.140	10	20	DGCD	
CSC(C)(C)CNC(=O)NCc1ccc(N2CCCC2)cc1	175641109	JWQOUTPWNLXFLM-UHFFFAOYSA-N	321.490	3.228	10	20	DGCD	
CC(C)Cc1noc(COc2ccc(N3CCCC3)cc2)n1	178191624	MYETVICTFIZOIB-UHFFFAOYSA-N	301.390	3.447	10	20	DGCD	
CS[C@@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1	117393082	RIAWEWAMTIBCQQ-SJLPKXTDSA-N	320.502	3.287	10	20	DGCD	
CCCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1ccccc1O	174372397	SEXOQRJURNCEKB-HOTGVXAUSA-N	318.461	3.394	10	20	DGCD	
CCN(CC)c1ccc(CNc2nccc(OC)n2)cc1F	301193708	IRYPTJFXBXKHLN-UHFFFAOYSA-N	304.369	3.083	10	20	DGCD	
COc1cc(C)c(NC(=O)c2ccc(C)c(O)c2O)cc1F	186039746	XHGTUPKVFQHZFC-UHFFFAOYSA-N	305.305	3.115	10	20	DGCD	
C[C@H](NCCSCCCO)c1cc2c(cc1O)CCCC2	185378940	QSFRAISEBOKNJH-ZDUSSCGKSA-N	309.475	3.037	10	20	DGCD	
FC(F)Oc1ccc(N2CCC[C@@H](Nc3ncccn3)C2)cc1	78512985	FVMBANHVFKRFQA-GFCCVEGCSA-N	320.343	3.159	10	20	DGCD	
C[C@@H](NCC1(N2CCSCC2)CCCC1)c1ccccc1O	183415222	QTJVLLNPYCAVJV-OAHLLOKOSA-N	320.502	3.404	10	20	DGCD	
C[C@@H](NCC(C)(C)C(N)=O)c1ccc(N2CCCCCC2)cc1	183201359	SVULTIOTHDZVMR-OAHLLOKOSA-N	317.477	3.229	10	20	DGCD	
COc1cccc(CNC(=O)Cc2c(C)cc(C)cc2C)c1O	180420072	QKRSOMJINKATDC-UHFFFAOYSA-N	313.397	3.185	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCOC3(CCCCC3)C2)c1	136749533	LZMCKSHEOSZUSL-CQSZACIVSA-N	320.389	3.272	10	20	DGCD	
O=C(Nc1ccc(OC(F)F)c(F)c1)c1cccc(O)c1O	192987428	OSXYSPAVQPDTNQ-UHFFFAOYSA-N	313.231	3.091	10	20	DGCD	
COc1cccc(CNC2CCN(c3ccccc3)CC2)c1O	237366019	JFBXLQIQUILEII-UHFFFAOYSA-N	312.413	3.159	10	20	DGCD	
COc1cc(Br)cc(CN2CC[C@@H](C)[C@@H]2C)c1O	246120492	KHKWTVBPNFIPAH-ZJUUUORDSA-N	314.223	3.394	10	20	DGCD	
C[C@@H](CCO)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	268973919	ZVVXALMBPPRVOV-GJZGRUSLSA-N	308.441	3.485	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCC[C@H](C)O)c2C)c1	279142048	OMHSKMYVRBEUCX-HNNXBMFYSA-N	314.429	3.293	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccncc1	272334711	FZJXQQMNXVFZPT-UHFFFAOYSA-N	311.429	3.127	10	20	DGCD	
C[C@H](CCN(C)C)N[C@H](C)c1ccc(Br)cc1O	273560497	IARBIMPISYMTLC-GHMZBOCLSA-N	315.255	3.146	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c1	273513174	SEAUXRPXSYDSMA-CYBMUJFWSA-N	319.426	3.418	10	20	DGCD	
CNC(=O)c1ccc(Cl)c(NCc2ccc(N(C)C)cc2)c1	386323624	WDGSRJPGJPGXMU-UHFFFAOYSA-N	317.820	3.378	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]3C[C@@H]32)cc1	806465384	VKPFBJZQYDWIQQ-WBVHZDCISA-N	301.434	3.227	10	20	DGCD	
C[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1	297181471	DYGCEBBZRRZVEU-AUUYWEPGSA-N	316.420	3.146	10	20	DGCD	
Cc1cc(CN2CCC[C@H](c3nccn3C)C2)ccc1N(C)C	815101558	AAWHTIFMYDRCBS-KRWDZBQOSA-N	312.461	3.174	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C2CC2)C(C)(C)CO)cc1	811519572	YKXQJBMVPHWYTH-SFHVURJKSA-N	304.478	3.420	10	20	DGCD	
O=C(CCCc1ccccc1Cl)NCc1ccc(O)c(O)c1	813491360	WGXPTCBNEMUUQU-UHFFFAOYSA-N	319.788	3.390	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@H](N)c2ccccc2)c2c(O)ccc(F)c21	817954048	AQXNPEUONVZDKW-UGFHNGPFSA-N	300.377	3.369	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCSC1	810447705	SANHGFSMLOXLLC-ZDUSSCGKSA-N	305.443	3.030	10	20	DGCD	
C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1ccccc1O	817412426	KYLFNLAHHLOWRH-DZGCQCFKSA-N	305.418	3.334	10	20	DGCD	
COc1cc(C)cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O	811781145	YYTZGTAXFNGBIV-WMLDXEAASA-N	305.418	3.099	10	20	DGCD	
c1ccc(-c2nn[nH]n2)c(COc2ccc(N3CCCC3)cc2)c1	823773263	SXWOUFAXVWECFN-UHFFFAOYSA-N	321.384	3.046	10	20	DGCD	
COc1cc(CN2CCC[C@H]2C(C)(C)O)c(O)c(C(C)(C)C)c1	825501259	NTYFIZWMLYQPSO-INIZCTEOSA-N	321.461	3.434	10	20	DGCD	
CNC(=O)C[C@H](C)N[C@H](C)c1ccc(N2CCCCCC2)cc1	834898861	HHYOTVMNZSBJMQ-JKSUJKDBSA-N	317.477	3.242	10	20	DGCD	
CC1(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)CC1	830599778	XZOCNYOMYRPOQQ-UHFFFAOYSA-N	323.458	3.409	10	20	DGCD	
CCc1ccc(CN(CC(=O)O)Cc2cc(Cl)ccc2O)o1	833669295	DQVGPJDFWIMXAI-UHFFFAOYSA-N	323.776	3.288	10	20	DGCD	
CN(C)C(=O)C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1	834530073	AUOVEOBHADBAIN-IAGOWNOFSA-N	324.424	3.189	10	20	DGCD	
CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C12CCCC2	841299491	HQWKCDQXXMWVCH-CABCVRRESA-N	303.406	3.128	10	20	DGCD	
CNC(=O)C1CCC(N[C@@H](C)c2ccc(Cl)cc2O)CC1	841747682	RYWCTDPFQHQFCL-ZBOXLXRLSA-N	310.825	3.001	10	20	DGCD	
O=C(NCc1coc(-c2ccccc2)n1)c1cc(O)cs1	743598931	PAZWSICIUVXKBB-UHFFFAOYSA-N	300.339	3.039	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC(C)(C)CC(=O)O	911323406	JQTREPIXPSOTLL-UHFFFAOYSA-N	307.390	3.022	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)COC2CCCCC2)cc1	916504820	DVKWBHFEJHPELF-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
CN(CCCCNC(=O)Nc1ccc(N)cc1)c1ccccc1	841301481	QXHVQIXUTIGEJD-UHFFFAOYSA-N	312.417	3.307	10	20	DGCD	
COc1ccc(OCCN[C@@H](C)c2cccc(OC)c2O)cc1	846136072	IAVINGDGYYFVAH-ZDUSSCGKSA-N	317.385	3.139	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCCN2CCCC[C@@H]12	848927645	JOKFUSKURGAJAO-OALUTQOASA-N	301.478	3.168	10	20	DGCD	
Oc1ccc(Cl)cc1CN1C[C@H](O)C[C@@H]1c1ccccc1	840956151	HJOQFQOCQJZHDN-HZPDHXFCSA-N	303.789	3.354	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1cccs1	742951939	BRCABKQYQHQHOK-SOFGYWHQSA-N	314.410	3.253	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](CO)[C@@H]2C)cc1F	840977884	KWIFZQZREAYEGY-HOCLYGCPSA-N	308.441	3.265	10	20	DGCD	
Cc1ccc(O)c(CN(C2CC2)[C@H](C)C(=O)OC(C)(C)C)c1	840959178	VMZCNTAZQHGCGD-CYBMUJFWSA-N	305.418	3.395	10	20	DGCD	
CC[C@@H]1C[C@@H](CC(=O)NCc2cc(Cl)ccc2O)CCO1	846473060	IBBCKTJQPNIDFW-SMDDNHRTSA-N	311.809	3.257	10	20	DGCD	
Oc1nc2cc(CNCc3ccc4c(c3)CCCO4)ccc2o1	922323101	KIWPBZLYQNSLSP-UHFFFAOYSA-N	310.353	3.148	10	20	DGCD	
C[C@H](NC[C@@H](O)[C@@H](C)c1ccccc1)c1cc(F)ccc1O	850572134	BLNMGQLIYQCCLZ-ZJNRKIDTSA-N	303.377	3.347	10	20	DGCD	
COC[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	755173217	GLFLPMKCOWJQSU-OAHLLOKOSA-N	306.450	3.162	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cc(C3CC3)n(C)n2)c2c(O)ccc(F)c21	927109886	ZIYSBEZHDAKLLV-QMTHXVAHSA-N	315.392	3.480	10	20	DGCD	
C[C@H](NCCN1Cc2ccccc2C1)c1cc(F)cc(F)c1O	756479438	MWKCVBJKUHADHM-LBPRGKRZSA-N	318.367	3.337	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCN(CC3CC3)C2)c2c(O)ccc(F)c21	756554295	ORSBCTBJVGACRU-ZLDLUXBVSA-N	304.409	3.154	10	20	DGCD	
COc1ccc(OCCN(C)c2ccc(OC)c(F)c2)cc1	757851566	MBGZSDIOIKFHKU-UHFFFAOYSA-N	305.349	3.358	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)[C@H]1CCCc2c1cnn2C	769538702	UTGBBVZZMCFZFL-AWEZNQCLSA-N	305.809	3.289	10	20	DGCD	
CCN(CC)c1ccc(CNC(C)(C)CCC(=O)OC)cc1F	762786362	MSKALLXRMJWKKM-UHFFFAOYSA-N	324.440	3.493	10	20	DGCD	
CC[C@@H]1Cc2ccccc2CN1Cc1cc2c(cc1O)OCO2	768530578	LYHRKHUSGATHEM-MRXNPFEDSA-N	311.381	3.458	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cccc(Cl)c2N)c1	877533019	JPELXAXVRPZIOZ-SNVBAGLBSA-N	306.793	3.487	10	20	DGCD	
Cc1coc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1	878781155	WDXVMRVHDIJFLW-HNNXBMFYSA-N	315.369	3.115	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]2c2ccccc2)c1O	774813902	IOHVYTRLWSKVFV-CQSZACIVSA-N	314.341	3.256	10	20	DGCD	
COc1ccc(CN[C@H]2CCN(C(=O)C(C)C)[C@@H](C)C2)cc1C	1044472367	URKHBPDQWSAONC-RDJZCZTQSA-N	318.461	3.129	10	20	DGCD	
Cc1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773083901	LCNUHQRNYNXAEH-AWEZNQCLSA-N	318.442	3.101	10	20	DGCD	
O=C(/C=C/c1nccs1)NCc1c(O)ccc2c1CCCC2	1123734369	BAGKMBJAMKKHIZ-BQYQJAHWSA-N	314.410	3.057	10	20	DGCD	
CO[C@@H]1Cc2ccc(NCc3cc([N+](=O)[O-])ccc3O)cc2C1	784631062	UGGMZMREBIUVSI-MRXNPFEDSA-N	314.341	3.026	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2c(C)ccn2C)cc1F	784398034	AKCGZZYPVVUXFE-UHFFFAOYSA-N	317.408	3.249	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)C[C@@H](C)O)c2C)c1	783628482	KQGSCEWDMOLVCE-DZGCQCFKSA-N	314.429	3.292	10	20	DGCD	
CC[C@H](NCc1cn2ccsc2n1)c1ccc(F)cc1O	796706982	BXHGVFIKIKQJFX-ZDUSSCGKSA-N	305.378	3.481	10	20	DGCD	
CC/C=C(/C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089810048	FIJXHQORTCSQNZ-RZNTYIFUSA-N	317.408	3.220	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@]2(C)C[C@H]3CC[C@H]2C3)cc1F	1329776598	BKKOGRQSVLZYEA-XAYKYTGQSA-N	304.409	3.334	10	20	DGCD	
C[C@H](Cc1cccc(O)c1)NC(=O)N[C@H](C)c1ccccc1O	1330141199	ZDTIJNXCRTUUAP-CHWSQXEVSA-N	314.385	3.089	10	20	DGCD	
O=C(O)CN(Cc1ccccc1)Cc1cccc(Cl)c1O	1608748146	QWHCKAUYYOWEND-UHFFFAOYSA-N	305.761	3.132	10	20	DGCD	
CCc1cccc(CN[C@@](CC)(C(=O)O)c2ccccc2)c1O	1605829068	XPUFWFVIMKDKPS-LJQANCHMSA-N	313.397	3.434	10	20	DGCD	
O=C(NCc1cccc(Cl)c1O)Nc1cccc2c1CCN2	1580718790	QEQQCMIRNQBZGK-UHFFFAOYSA-N	317.776	3.335	10	20	DGCD	
Oc1cccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1	160197233	ARYNENKDJRKSRG-SFHVURJKSA-N	313.397	3.279	10	20	DGCD	
C[C@H](NCCCN1CCCCCC1=O)c1ccc(N(C)C)cc1	155498634	OQTBXFPVIRFGLN-INIZCTEOSA-N	317.477	3.196	10	20	DGCD	
COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nccs2)c1	52913926	FLOYWDKCIMDYBD-VIFPVBQESA-N	324.427	3.280	10	20	DGCD	
C[C@H](C(=O)N1CCCc2ccccc21)N(C)Cc1ccccc1O	109768887	OWLZNQHWEPTISD-OAHLLOKOSA-N	324.424	3.192	10	20	DGCD	
COc1ccc(CCN[C@@H](C)c2cc(OC)ccc2O)cc1	119929794	MDNUOBKHBBOOPM-ZDUSSCGKSA-N	301.386	3.303	10	20	DGCD	
CSc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccn1	115280082	ITCXZCSCTSNFMG-UHFFFAOYSA-N	315.442	3.108	10	20	DGCD	
CN(C)c1ccc(CNc2cc(NCC3CC3)ncn2)cc1F	301834642	SXFLQSSOWGITNF-UHFFFAOYSA-N	315.396	3.116	10	20	DGCD	
C[C@@H](NCC1CCN(C)CC1)c1cc2c(cc1O)CCCC2	185359430	ULFLCHBTDTUFBH-CQSZACIVSA-N	302.462	3.263	10	20	DGCD	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(O)c(O)c1	180789149	SRBCKDVDFHXUQJ-XKMBLQBNSA-N	301.386	3.291	10	20	DGCD	
C[C@@H]1CCCCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	315515385	ZRMHGIPTEHTRKI-ZVTBTPLYSA-N	304.346	3.462	10	20	DGCD	
CCCOc1ccc(CNc2nnc([C@@H]3CCCO3)o2)c(O)c1	181798282	XFRGATQIAIJHKB-AWEZNQCLSA-N	319.361	3.028	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1	185442322	CQFMXTSAMCDACV-KGLIPLIRSA-N	320.433	3.361	10	20	DGCD	
Cc1nn(C)c(C)c1CN[C@H](C)c1cc2c(cc1O)CCCC2	185277084	UMAWYLMNXXHWEO-GFCCVEGCSA-N	313.445	3.472	10	20	DGCD	
C[C@H](NCCc1cnn(-c2ccccc2)c1)c1ccccc1O	183405048	FBKQEYSMCWRZOZ-HNNXBMFYSA-N	307.397	3.471	10	20	DGCD	
CCCOc1ncccc1CN[C@@H](C)c1cc(OC)ccc1O	185143207	NOBMFHMDUALVAO-ZDUSSCGKSA-N	316.401	3.435	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1	185164404	YFHVFKAGILHVRG-LSDHHAIUSA-N	310.397	3.157	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1O	136487023	UWLOMXKHKCXIOL-UHFFFAOYSA-N	317.410	3.380	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@@H](C)c2cc(F)ccc2O)cc1	191585647	HERLZNQUANFHEM-XJKSGUPXSA-N	303.377	3.094	10	20	DGCD	
Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(F)c1	190919139	QIOVKHWMLIMYTD-LLVKDONJSA-N	318.348	3.298	10	20	DGCD	
COC[C@H](C)CNC(=O)c1sccc1-n1c(C)ccc1C	195698865	XIBAHLLKUDPYFK-LLVKDONJSA-N	306.431	3.168	10	20	DGCD	
CC[C@@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1O	193504288	BQVGLWQCVIKKPR-TZMCWYRMSA-N	316.367	3.317	10	20	DGCD	
CSC1(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1	193826570	NIMVMZVHRJDKNQ-CYBMUJFWSA-N	324.465	3.209	10	20	DGCD	
CC[C@H](C)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	277470777	UVGTVHDGBXMNED-WDEREUQCSA-N	324.808	3.244	10	20	DGCD	
Cc1cc(C(=O)N2CCCc3n[nH]cc32)c(C)n1-c1ccccc1	280090047	LLULXNHCAUSNIZ-UHFFFAOYSA-N	320.396	3.410	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@H]2CCCC2(C)C)c1O	297457027	KILRDLGVBOYNBO-CYBMUJFWSA-N	306.406	3.026	10	20	DGCD	
CN1CCC(N(Cc2ccco2)Cc2cc(F)ccc2O)CC1	290599134	VTSZHDBYUPCNRW-UHFFFAOYSA-N	318.392	3.221	10	20	DGCD	
C[C@@H](CNC(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1	299153380	GOCGPQDYFPPDSP-ZDUSSCGKSA-N	316.376	3.476	10	20	DGCD	
CCCN1C[C@@H](CN[C@H](CC)c2cc(Cl)ccc2O)CC1=O	817588163	CJQJOYMHHUHWDT-IUODEOHRSA-N	324.852	3.345	10	20	DGCD	
COC(=O)c1ccc(NCc2c(O)ccc3c2CCCC3)nc1	813595235	SSYHYLDNRDZELX-UHFFFAOYSA-N	312.369	3.065	10	20	DGCD	
COCC(C)(C)CN[C@@H](C)c1ccc(Br)cc1O	813882882	NRLVHCOCWADBSG-JTQLQIEISA-N	316.239	3.478	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](O)CC(F)(F)F)cc1F	819043066	QQSIJPFGYXXQAY-LBPRGKRZSA-N	322.346	3.075	10	20	DGCD	
C[C@H]1CSc2ccccc2N(C(=O)/C=C/c2cn(C)cn2)C1	824462107	PJUDYOPDLCSTQP-SBDDDAINSA-N	313.426	3.208	10	20	DGCD	
Cc1cc(O)c(CNC2CCN(CC(F)F)CC2)cc1Cl	825172930	BZKIOLZTHDYXMK-UHFFFAOYSA-N	318.795	3.173	10	20	DGCD	
CCOc1ccc(CN2CCc3cc(OC)ccc3C2)c(O)c1	827305110	MKYZNRDISMPNAZ-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CCc2ccccc2O1)c1ccc(N(C)C)cc1	839727651	AEBIMXZXKMKHFQ-LIRRHRJNSA-N	324.424	3.324	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCCCO2)cc1F	837405222	PBPYPSJNAVNZNC-GOSISDBHSA-N	322.424	3.247	10	20	DGCD	
COc1ccc(CNC(=O)Cc2cccc(C3CC3)c2)c(O)c1	839747444	JNJNSNKMYGIRTE-UHFFFAOYSA-N	311.381	3.137	10	20	DGCD	
Cc1ccc(O)c([C@H](C)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c1	834895266	HDMPSZSNQRJDFO-SGTLLEGYSA-N	312.369	3.099	10	20	DGCD	
C[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccoc1	840761415	WOURSINOAPCNOT-GFCCVEGCSA-N	322.355	3.245	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)c1ccc(F)cc1F	840927713	APAIXKHIVPZPKN-GOSISDBHSA-N	320.383	3.162	10	20	DGCD	
C[C@@H](NCC1(N(C)C)CC1)c1ccc(N2CCCCC2)cc1	841763916	SNGDKULWWYHEDL-MRXNPFEDSA-N	301.478	3.422	10	20	DGCD	
CC[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)CC(F)(F)F	840960610	PZSYHFXPCHBUSI-SECBINFHSA-N	306.284	3.369	10	20	DGCD	
CC(C)(C)c1nc(CCNC(=O)Nc2ccc(N)cc2)cs1	841298230	OMYCOHHFADFDIT-UHFFFAOYSA-N	318.446	3.387	10	20	DGCD	
CCC1(O)CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	742170830	CXRBIMPFWKDGJR-UHFFFAOYSA-N	307.434	3.132	10	20	DGCD	
COc1ccc(O)c(CNCCC[C@@H]2CC2(Cl)Cl)c1	846108423	DGRMNDNVUNZKDL-LLVKDONJSA-N	304.217	3.464	10	20	DGCD	
CCc1cccc(CN[C@H]2COc3cc(F)cc(F)c32)c1O	848902076	JPNQAMZADXQKSB-AWEZNQCLSA-N	305.324	3.456	10	20	DGCD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCc1ccc2c(c1)CCCO2	921782118	QWTFLWDUCYFGMJ-JQHSSLGASA-N	301.430	3.305	10	20	DGCD	
CCC[C@@](C)(O)CNCc1cc(OC)cc(C(C)(C)C)c1O	850133926	OAYBMHWKOGQGIQ-GOSISDBHSA-N	309.450	3.339	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@H]2CCCN2CC(F)F)c(O)c1	858478706	AIVVDRIHRNUGEJ-ZIAGYGMSSA-N	312.404	3.389	10	20	DGCD	
C[C@@H](NCc1cocn1)c1cc(Br)cc(F)c1O	756831846	PDEZEBCWGJNXLV-SSDOTTSWSA-N	315.142	3.133	10	20	DGCD	
O=C(/C=C\c1ccc2ccccc2n1)NCc1ccccc1O	769363167	PHOOHEDCNPFETH-QXMHVHEDSA-N	304.349	3.270	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN2Cc3ccccc3C2)c1O	769337850	KRWCBNJZOHKBAM-UHFFFAOYSA-N	304.733	3.470	10	20	DGCD	
Cc1cccc(C)c1OCCC(=O)N(C)Cc1ccccc1O	769282579	NNOYSHKDMXHGHN-UHFFFAOYSA-N	313.397	3.437	10	20	DGCD	
CC[C@@H](NCCCOCCOC)c1cc(Cl)ccc1O	775484697	HNJKOWJCMPTJFC-CQSZACIVSA-N	301.814	3.139	10	20	DGCD	
CSCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773309589	YDDOSPNNXNHFBU-OLZOCXBDSA-N	309.479	3.254	10	20	DGCD	
Cc1cccc2c1CC[C@H]2NC(=O)/C=C/c1ccc(O)c(O)c1	779514867	NKVMEUVQWOQSMX-VGZDNEPHSA-N	309.365	3.223	10	20	DGCD	
CC[C@@]1(C)CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775726411	RKOZDABLQOWLNX-IBGZPJMESA-N	301.478	3.060	10	20	DGCD	
COc1cccc(O)c1CN1CCN(C2CC2)c2ccccc21	779225296	OGGNJWGFIFPJSI-UHFFFAOYSA-N	310.397	3.390	10	20	DGCD	
CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1	776586540	FVWUCRUXBFYIEO-QGZVFWFLSA-N	316.357	3.163	10	20	DGCD	
CO[C@@H](CNCc1cc(F)cc(F)c1O)Cc1ccccc1	883132022	CSHIJIHAUNGCBH-OAHLLOKOSA-N	307.340	3.018	10	20	DGCD	
CN(C)c1ccc(Cn2cc(CN(C)c3ccccc3)nn2)cc1	881272341	UCAMCASGPHFNKJ-UHFFFAOYSA-N	321.428	3.029	10	20	DGCD	
CN1CCC[C@@H](CN(C)Cc2cc(Cl)cc(Cl)c2O)C1	705207665	RWZVSFVYCLDQNK-LLVKDONJSA-N	317.260	3.473	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c(O)c1	794369567	HTMCQSTXSWNQRK-HOCLYGCPSA-N	303.402	3.255	10	20	DGCD	
CC[C@H](NCCc1nnc2ccccn12)c1ccc(C)cc1O	794796030	RHAHTJVVFPOKFH-HNNXBMFYSA-N	310.401	3.027	10	20	DGCD	
COC(C)(C)CNCc1ccc(N(C)C)cc1C(F)(F)F	792995601	LTTDDZCZUCFFGM-UHFFFAOYSA-N	304.356	3.286	10	20	DGCD	
COC(=O)N1CCC(CN[C@H](C)c2ccc(C)c(C)c2O)CC1	797090172	JDVSQUDXQDBWFE-CQSZACIVSA-N	320.433	3.138	10	20	DGCD	
CCOc1ccc(N2CCN(CCC3(OC)CCC3)CC2)cc1	1324265905	GINYSHSWFDXZDS-UHFFFAOYSA-N	318.461	3.167	10	20	DGCD	
Oc1cccc2c1C[C@@H](NCc1ccc(N3CCCC3)cc1)C2	1321965642	JWLNQGTXPOLOHR-KRWDZBQOSA-N	308.425	3.249	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@H]2CCO[C@H](C3CC3)C2)cc1F	1328701051	AIVPOYDQMPYZBW-GUYCJALGSA-N	310.388	3.078	10	20	DGCD	
C[C@@H](NC(=O)NC1(C(F)(F)F)CCC1)c1ccccc1O	1333053108	FEFLVVAMWCHBIP-SECBINFHSA-N	302.296	3.237	10	20	DGCD	
C[C@H]1C[C@@H](C)N(c2nnc(-c3sccc3O)n2CC2CC2)C1	1520582138	ZXRIJUFAAKXKTH-WDEREUQCSA-N	318.446	3.357	10	20	DGCD	
CC(C)[C@@H]1OCCC[C@H]1CN[C@@H](C)c1cc(C(=O)O)ccc1O	1604336876	BZVALEPQRXNSKY-JDFRZJQESA-N	321.417	3.192	10	20	DGCD	
CO[C@@]1(C)CCCN(Cc2cccc(Br)c2O)C1	230299903	LKRCQHGLFUZLHH-AWEZNQCLSA-N	314.223	3.156	10	20	DGCD	
Cc1cc(CN2CCC[C@@]2(C)C(=O)O)ccc1N1CCCCC1	1594302650	BRXBHEKVRHWWKD-IBGZPJMESA-N	316.445	3.424	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccoc2C(=O)O)C2CC2)cc1	1598317714	KKKBLBKHDZUZJE-UHFFFAOYSA-N	314.385	3.208	10	20	DGCD	
Cc1ccccc1[C@@H](CC(=O)O)NCc1cc(F)cc(F)c1O	1777467010	NNURGOLMHFWLGF-OAHLLOKOSA-N	321.323	3.284	10	20	DGCD	
CCN(C)c1ccc(CNC[C@H](CC(C)C)C(=O)O)c(C)c1	1776856324	KXFLSOTVIAFOMQ-INIZCTEOSA-N	306.450	3.288	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1	164305535	NAYJBINQCZVUOK-OAHLLOKOSA-N	320.433	3.108	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@H]3[C@H](CCCN3C)C2)c(O)c1	156096110	AKBBALXAMRFFSH-CRAIPNDOSA-N	318.461	3.097	10	20	DGCD	
CC[C@H]1C[C@@H](NCc2cccc(Br)c2O)CCO1	824291787	HLDSLNMSYVTDND-RYUDHWBXSA-N	314.223	3.202	10	20	DGCD	
CCn1ccnc1CNCc1cc(Cl)cc(Cl)c1O	385355346	VEXBSOGBASCCSI-UHFFFAOYSA-N	300.189	3.205	10	20	DGCD	
Oc1cc2c(cc1CNCCCn1ccc3ccccc31)OCO2	63255939	FXCPCWFTTLYRNJ-UHFFFAOYSA-N	324.380	3.256	10	20	DGCD	
COc1ccsc1C(=O)NCc1c(O)ccc2c1CCCC2	174516810	JRMARPPQEDUIIM-UHFFFAOYSA-N	317.410	3.271	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC1=CCCCC1	173190596	CNPMZDOHVBGLQP-UHFFFAOYSA-N	300.402	3.369	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2cccc(C)c2)c1	186124586	HBSVMDZRPLKPAU-FZKQIMNGSA-N	301.386	3.093	10	20	DGCD	
COc1cccc(CNC[C@@](C)(O)c2cccc(Cl)c2)c1O	185111329	MKPBSODDQGAVBQ-QGZVFWFLSA-N	321.804	3.052	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	37042559	PXKATQDXNVJWIF-AAEUAGOBSA-N	300.324	3.049	10	20	DGCD	
Cc1ccc([C@H](C)NCCCNC(=O)c2occc2C)c(O)c1	186068458	APYLNTNGXVAXLZ-AWEZNQCLSA-N	316.401	3.073	10	20	DGCD	
CC[C@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CCS1	317145306	IAPRPWZIBLABTO-FUEXJSSKSA-N	322.386	3.024	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNc1ccc2cn[nH]c2c1	319868795	VPKGUYRDZMXXJA-UHFFFAOYSA-N	308.385	3.012	10	20	DGCD	
C[C@H](NCCN1CCc2ccccc2C1)c1cc(F)ccc1O	184923944	ZHRXXEQQQVAPLV-AWEZNQCLSA-N	314.404	3.240	10	20	DGCD	
C[C@H]1CN(Cc2cc(Br)ccc2O)CC(C)(C)O1	133113157	IXIKTUDKRFRJLJ-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSCC(F)(F)F	90093507	OEYBLUPGBQVBJK-UHFFFAOYSA-N	320.380	3.007	10	20	DGCD	
c1cc(CNCc2ccc(N3CCOCC3)cc2)c2[nH]ccc2c1	236704576	ZVDHUCMHYCRWAG-UHFFFAOYSA-N	321.424	3.294	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC2CCN(C3CCC3)CC2)c1	273607978	UWYFWZQTJJMDPG-CYBMUJFWSA-N	304.434	3.068	10	20	DGCD	
Cc1ccc([C@H](C)NCC2(C(=O)N(C)C)CCCC2)c(O)c1C	273571671	KVLXMAGQXRQWQY-HNNXBMFYSA-N	318.461	3.308	10	20	DGCD	
C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)c1ccco1	625916006	GRYJMAYHJAZIIU-ZDUSSCGKSA-N	314.385	3.265	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CCCc3nn(C)cc32)c(O)c1	283121391	YZVSGELKUDHBFY-MRXNPFEDSA-N	315.417	3.082	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)SC	282690321	ANTKKURTCQWZQU-CYBMUJFWSA-N	310.463	3.455	10	20	DGCD	
Cc1cccc(CN2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)c1O	282962112	HZNRGEGWILEFPH-IAGOWNOFSA-N	309.413	3.254	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](OC)[C@@H](C)CC	297985361	CCTKCVHZCBOCFS-YOEHRIQHSA-N	322.449	3.375	10	20	DGCD	
CC[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)OC	290968361	BKZRIZFPVMSPLI-QGZVFWFLSA-N	321.465	3.098	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CSC(F)F)C2CC2)cc1	294479925	UBPIEQLDHBLCOH-UHFFFAOYSA-N	314.401	3.199	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN2CC[C@@H](CO)C2)cc1	294984642	XROHHVOCDKQQMG-MRXNPFEDSA-N	316.470	3.199	10	20	DGCD	
CC[C@@H](NCCn1ccnc1)c1ccc(C(F)(F)F)cc1O	810207394	HSTOAVSLWYBBMZ-CYBMUJFWSA-N	313.323	3.348	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@H](C)c2ccccc2O)s1	818358309	UDBUAKNICLKOEJ-ZJUUUORDSA-N	306.387	3.047	10	20	DGCD	
C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2ccccc2O)C1	817415178	TZLHNAHMRMEBQV-UKRRQHHQSA-N	305.418	3.192	10	20	DGCD	
CCCN1CCC(N(C)Cc2cc(Cl)c(F)cc2O)CC1	816493471	CTVGQXMSDIQEBD-UHFFFAOYSA-N	314.832	3.491	10	20	DGCD	
CCOCc1cc(CN[C@H](C)c2ccnc(O)c2)ccc1OC	815148397	VHQUORIRJXCLLH-CYBMUJFWSA-N	316.401	3.183	10	20	DGCD	
C[C@@H](N)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1	827007870	FLGLEKNOUHAGFO-OAHLLOKOSA-N	323.440	3.237	10	20	DGCD	
CC(=O)N1CC[C@H](N[C@H]2CCc3cccc(O)c32)c2ccccc21	834692672	GVEYPYHUVFAAHH-IRXDYDNUSA-N	322.408	3.467	10	20	DGCD	
C[C@@H](CCC1CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1	839146210	ZFBJNCCVRBYZLY-ZDUSSCGKSA-N	324.415	3.470	10	20	DGCD	
O=C(CCCc1nccs1)NCc1cc(Cl)ccc1O	846475640	DKHPVZLTINKRSR-UHFFFAOYSA-N	310.806	3.141	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C	848562366	IOEMZUOUMAHQKQ-KBPBESRZSA-N	306.450	3.381	10	20	DGCD	
CC[C@@H](NC(=O)NCc1cccc(OC)c1O)[C@@H]1CC1(C)C	842190038	KTLOCMBHOSVIGN-QWHCGFSZSA-N	306.406	3.025	10	20	DGCD	
CC[C@@H](CCC(=O)O)NCc1cc(Cl)cc(Cl)c1O	841812474	VNMCNXKABTVMCS-JTQLQIEISA-N	306.189	3.432	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2c3ccccc3C[C@@H]2O)c2c(O)ccc(F)c21	756461080	VBKBWIPSKXSEFO-MAILCFBASA-N	313.372	3.328	10	20	DGCD	
Cc1cc(C)cc(CNCc2ccc(N3CCN(C)CC3)cc2)c1	850366908	NKUXGSCWCSFPOA-UHFFFAOYSA-N	323.484	3.345	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@]2(c3ccccc3)CCCO2)cc1	929401234	CUGLDYXOPYSAMP-FQEVSTJZSA-N	324.424	3.075	10	20	DGCD	
C[C@H]1CC[C@H](C)C1NCc1ccc(N2CCC(CO)CC2)cc1	924760996	SIIXYZCKZONNLE-HOTGVXAUSA-N	316.489	3.420	10	20	DGCD	
COc1cncc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)c1	850328226	RLZXUDSUVVYPBB-OAHLLOKOSA-N	313.445	3.185	10	20	DGCD	
OC1CCN(c2ccc(CNCC3CCCCC3)cc2)CC1	850404885	FWRHSEMZNHBZJQ-UHFFFAOYSA-N	302.462	3.318	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CC[C@H]2CCOC2)C2CC2)cc1	751228508	VAJOLWPJKNYXJB-INIZCTEOSA-N	316.445	3.060	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1cc(F)ccc1O	756586720	TXTYRWOYOQLUEI-ZUZCIYMTSA-N	301.365	3.358	10	20	DGCD	
COc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1C	754834076	OBGCPVDONDFZHS-NXHRZFHOSA-N	301.430	3.441	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCOC3(CCOCC3)C2)c(O)c1C	756764429	IYWOCEYUKBNVRD-JKSUJKDBSA-N	319.445	3.388	10	20	DGCD	
C[C@@H]1Cc2cc(NC(=O)N(C)Cc3ccccc3O)ccc2O1	933157757	QNZTVSNUFSKEJR-GFCCVEGCSA-N	312.369	3.380	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCCC3(CCOCC3)C2)cc1F	862246747	UFQJNWUWSRXXTR-UHFFFAOYSA-N	324.415	3.423	10	20	DGCD	
COc1cc(CN2CC=C(C(F)(F)F)CC2)c(O)cc1C	768466246	WMIWUNCSPUUWNB-UHFFFAOYSA-N	301.308	3.404	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccccc1O	868309320	UBJPAHOYOYCGHS-UKPHBRMFSA-N	310.397	3.384	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)Cc1ncc(Cl)n1C	1116498686	WOZCRBMMCXCDGC-UHFFFAOYSA-N	318.852	3.306	10	20	DGCD	
CCN(Cc1ccccn1)Cc1cc(F)c(N(C)C)cc1F	862244019	IBUQTYFWMMKVNB-UHFFFAOYSA-N	305.372	3.448	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OC[C@@H]3CCCOC3)sc2n1	760738927	PSKICSVTDUBUMU-LLVKDONJSA-N	320.414	3.079	10	20	DGCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1F	776658884	YROADHDDWNARQS-CYBMUJFWSA-N	307.296	3.257	10	20	DGCD	
CC1CCN(C(=O)[C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)CC1	774483380	KEFFLRHSIQTKHT-HZPDHXFCSA-N	317.477	3.050	10	20	DGCD	
COCC[C@H](C)CNCc1cc(Br)cc(F)c1O	883146042	XOKXGEIILOXMBD-VIFPVBQESA-N	320.202	3.056	10	20	DGCD	
CC[C@H](N[C@H](C)[C@@H](CO)SC)c1cc(Cl)ccc1O	775509393	LILXHFJPTWIXHS-LJWDBELGSA-N	303.855	3.199	10	20	DGCD	
CN1CCN(c2ccc(-c3nc4ccc(F)cc4n3C)cc2)CC1	771512279	CKGWECVFEOHQAS-UHFFFAOYSA-N	324.403	3.131	10	20	DGCD	
C[C@@H](NC(=O)Cc1cc(F)ccc1F)c1ccc(N(C)C)cc1	773021068	RMGZJHNOTWEEHV-GFCCVEGCSA-N	318.367	3.451	10	20	DGCD	
C[C@H](NC[C@@H]1OCCc2ccccc21)c1c(O)cccc1F	886548184	YMKGHYKICXWYNQ-SJCJKPOMSA-N	301.361	3.496	10	20	DGCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCCc3ccccc32)cc1	1120569903	LWXIZDNMDWMPCP-INIZCTEOSA-N	309.413	3.188	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCC2CCOCC2)c1	798980088	DAWHAWLQRDSZQC-CYBMUJFWSA-N	321.417	3.175	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3scnc3C)CC2)cc1	1206988694	BKRNNNGYTBMRMY-UHFFFAOYSA-N	317.458	3.172	10	20	DGCD	
CSCCONC(=O)c1cc(C)ccc1-n1c(C)ccc1C	794193153	ZEUQOXYSHWYISA-UHFFFAOYSA-N	318.442	3.427	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(O)c1	792780445	PUHPJCMIOVMFRF-TYNCELHUSA-N	306.406	3.025	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc2n[nH]cc2c1)c1ccc(N(C)C)cc1	793855975	NLIREEIJVNHXOQ-ZDUSSCGKSA-N	322.412	3.049	10	20	DGCD	
Cc1[nH]nc2ncc(NCc3ccc(N4CCCC4)cc3)cc12	1343395338	VJAKCDPORTVRJH-UHFFFAOYSA-N	307.401	3.479	10	20	DGCD	
Cc1ccccc1NC(=O)[C@@H](C)Sc1ncc(C(=O)O)s1	1600582512	UENAQTMMTWCDDO-SECBINFHSA-N	322.411	3.269	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CC(C3CCCC3)C2)c([N+](=O)[O-])c1	1601881021	LOLQJZDWKPGDFF-VURMDHGXSA-N	316.357	3.319	10	20	DGCD	
Oc1c(Cl)cccc1CNC1(Cc2cnn[nH]2)CCCCC1	1578050837	GIKSYZYDBZFCHF-UHFFFAOYSA-N	320.824	3.199	10	20	DGCD	
CC[C@H](Sc1ncc(C(=O)O)s1)C(=O)OC(C)(C)C	1595358830	KEHGUSAURSSIHX-ZETCQYMHSA-N	303.405	3.054	10	20	DGCD	
CC(C)c1ccc(O)c(CN(CCC(F)(F)F)CC(=O)O)c1	1591974436	XKYQHMSWSLRYAS-UHFFFAOYSA-N	319.323	3.355	10	20	DGCD	
CCN(C)c1ccc(CN(CC(=O)O)Cc2ccccc2)cc1	1776855751	VIFOIZODIVBQLL-UHFFFAOYSA-N	312.413	3.230	10	20	DGCD	
COc1ccc(O)c(CNC[C@@](C)(O)c2ccccc2Cl)c1	155086813	KFQUXQSHGHUNLZ-QGZVFWFLSA-N	321.804	3.052	10	20	DGCD	
CCN(Cc1ccc(OC)cc1)Cc1cc2c(cc1O)OCO2	154673543	UVQOPAUMAWFAHU-UHFFFAOYSA-N	315.369	3.152	10	20	DGCD	
CC[C@H](NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)c1ccccc1O	154976107	YKEAGHYJPYNDDQ-UXLLHSPISA-N	320.477	3.321	10	20	DGCD	
C[C@@H](NCc1cccc(Br)c1O)[C@@H]1CCCOC1	388942509	GOROMJCEFTXFTJ-ZYHUDNBSSA-N	314.223	3.059	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)CCNC(=O)OC(C)(C)C)c1	793607018	YRCDXEUZBVRAIB-ZDUSSCGKSA-N	308.422	3.094	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3Cc4ccccc4C3)ccc21	106336442	NAJTXNYZYWQANG-UHFFFAOYSA-N	321.424	3.294	10	20	DGCD	
C[C@@H](Sc1nccs1)C(=O)Nc1ccc2c(c1)OCCO2	52913874	XVTBTZJOLVIPSV-SECBINFHSA-N	322.411	3.034	10	20	DGCD	
CCCCS[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	173196376	UHBJXGPYMBUNNK-CYBMUJFWSA-N	322.474	3.400	10	20	DGCD	
CN(C)c1ccc(CN2CCSC[C@@H]2c2nccs2)cc1	186648825	QXQFBPOMFUWWBI-OAHLLOKOSA-N	319.499	3.499	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)c(N)c1	319321786	ZSYVZDXSAKPVHV-UHFFFAOYSA-N	311.429	3.306	10	20	DGCD	
Cc1ccc(O)c(CNCc2cc(COC(C)(C)C)on2)c1	186418057	CXOICOVPFGNPQH-UHFFFAOYSA-N	304.390	3.294	10	20	DGCD	
COCc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1	132533334	GDJZJYJSGSUVEZ-PTNGSMBKSA-N	316.426	3.289	10	20	DGCD	
CC(C)(CCCO)CNCc1cc(Br)ccc1O	221388318	UPUUHWSSCIKOPY-UHFFFAOYSA-N	316.239	3.043	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)cc(OC)c2O)cc1	228668878	QYSHUMGZODRFKE-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
CO[C@@H](C)c1noc(CN(C)c2ccc(OC(C)C)cc2)n1	191589630	XFXCMADISRJRID-LBPRGKRZSA-N	305.378	3.201	10	20	DGCD	
C[C@@H]1CCC[C@]1(O)CNCc1ccc(N2CCCCC2)cc1	328182206	NPAOEOSPACUARE-APWZRJJASA-N	302.462	3.318	10	20	DGCD	
Nc1ccc(CC(=O)Nc2cccc(COCC3CC3)c2)cc1	237925385	SWDWEWDMGOJFJL-UHFFFAOYSA-N	310.397	3.377	10	20	DGCD	
CCN(Cc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F	91815576	VFMBLCJVBZFVMY-UHFFFAOYSA-N	320.330	3.047	10	20	DGCD	
COc1ccc(C)cc1/C=C1/SC(N2CCCCC2)=NC1=O	96403135	DGLIPNUHWZIAEZ-RVDMUPIBSA-N	316.426	3.460	10	20	DGCD	
COc1cccc(CN2CCC[C@H](Nc3ccccc3)C2)c1O	93704393	DBRLVVYAKIMQRD-KRWDZBQOSA-N	312.413	3.477	10	20	DGCD	
COc1nc(C)ccc1C(=O)NCc1c(C)c2ccccc2n1C	348635040	LMWZYFVCBPHIJL-UHFFFAOYSA-N	323.396	3.129	10	20	DGCD	
CC(C)(CN[C@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	297646292	JZPMKBVTPDJZMT-ZDUSSCGKSA-N	320.433	3.272	10	20	DGCD	
Cc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c(O)c1O	272738121	LNTIELOVHPMAKW-ZDUSSCGKSA-N	319.401	3.018	10	20	DGCD	
COc1ccccc1CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273394859	LPLLOTLZPUANIN-LBPRGKRZSA-N	316.357	3.202	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)CCC3CCC3)CC2)cc1	362864577	XTRKHGYBSGKVOW-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1O)c1ncn(C)n1	275694693	JTIBDUZDLZTGGK-YUMQZZPRSA-N	315.204	3.239	10	20	DGCD	
COCc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)cs1	274798552	OBAMAXFAUWIRCI-GFCCVEGCSA-N	305.447	3.206	10	20	DGCD	
COc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)ccc1C	273364234	AZZPDFLFYSWRLD-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
CC[C@H](N[C@@H](COC)[C@H]1CCCO1)c1cccc(Cl)c1O	286972014	IMJVGBIAAUGUTI-SOUVJXGZSA-N	313.825	3.280	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(C)nc1	282622128	ZZRHZXRBZIOALN-UHFFFAOYSA-N	312.413	3.467	10	20	DGCD	
CCCNC(=O)CN[C@H](CC)c1cc(Cl)cc(Cl)c1O	286795423	AAYYNMZSVDRBKP-GFCCVEGCSA-N	319.232	3.266	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCc2cn3c(n2)SCC3)c(O)c1	294063813	HJFSPUIZASGMRZ-CYBMUJFWSA-N	317.458	3.205	10	20	DGCD	
COCC1(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCC1	293597732	DDVCPZULJITCDI-GFCCVEGCSA-N	308.378	3.158	10	20	DGCD	
CCO[C@H](CC)C(=O)NCc1cc(Cl)cc(Cl)c1O	813685549	KHPIPLMWUAKPBE-LLVKDONJSA-N	306.189	3.130	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1F	817938910	VJRQUPQGMVRSTA-UGSOOPFHSA-N	301.409	3.242	10	20	DGCD	
CC(C)CN(C)Cc1c(O)ccc(C(=O)c2ccccc2)c1O	728199440	UTSKBPLMKASEGF-UHFFFAOYSA-N	313.397	3.417	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@]1(C)CO	827700877	YPRWVDPRDQMREG-LPHOPBHVSA-N	302.462	3.127	10	20	DGCD	
CO[C@H](CNCc1ccc(Br)cc1O)CC(C)C	826131374	RZQZRBYICLOITF-ZDUSSCGKSA-N	316.239	3.305	10	20	DGCD	
Cc1cccc(CN2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1O	835071624	ZYUKNMVSWXZUMS-GOSISDBHSA-N	305.418	3.254	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c(C)noc1C	839913601	MKJOJPLMQDCPJP-LBPRGKRZSA-N	315.417	3.027	10	20	DGCD	
CCc1cc(CN2CC[C@@](F)(C(=O)O)C2)c(O)c(C(C)(C)C)c1	830218864	VLUDVAABZBQHEP-SFHVURJKSA-N	323.408	3.251	10	20	DGCD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	838485002	ALKLRBAFZDYHDU-MJGOQNOKSA-N	313.445	3.297	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C(C)(C)C2CCCC2)cc1	832267054	MCKGCKTYVOPZBA-KRWDZBQOSA-N	317.477	3.085	10	20	DGCD	
CC1(C)CCC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	839146461	IMXOLPCLMFFGCO-INIZCTEOSA-N	324.415	3.470	10	20	DGCD	
Cc1nc(C(C)C)oc1C(=O)NCc1cc(Cl)ccc1O	846476039	IJHJPLDNKIISKM-UHFFFAOYSA-N	308.765	3.395	10	20	DGCD	
CO[C@@H](CC(C)C)CN(Cc1ccccc1O)C[C@H]1CCCO1	842151528	CAIRSNLPGXEIHU-MSOLQXFVSA-N	321.461	3.434	10	20	DGCD	
O=C(O)[C@H](CC1CCC1)NCc1cc(Cl)cc(Cl)c1O	841819614	YHLWVKJHPIXLHU-LBPRGKRZSA-N	318.200	3.432	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)[C@@H](O)c2ccc(F)cc2)c1O	846142799	CKMPCGJIFYHTHX-XWCIJXRUSA-N	319.376	3.313	10	20	DGCD	
CC[C@H](NC(=O)NCc1cc(OC)ccc1O)[C@@H]1CC1(C)C	842180486	OZWDDMXACJLVGU-KBPBESRZSA-N	306.406	3.025	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)C1CCC(F)(F)CC1	846475212	DJFAPVZDRKLNJD-UHFFFAOYSA-N	303.736	3.487	10	20	DGCD	
C[C@H](N[C@H]1CCS[C@H]1C)c1ccc(N2CCOCC2)c(F)c1	842926896	AVYOJJGSRFBQHI-XEZPLFJOSA-N	324.465	3.207	10	20	DGCD	
COc1ccc(N(C)CCN(C)[C@H](C)c2ncc(C)o2)cc1	844402429	XFTFOTZRBAXKGU-CQSZACIVSA-N	303.406	3.121	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)C[C@@]1(O)CCc2ccccc21	843422500	WPOXBHNLYFPELT-SFHVURJKSA-N	317.816	3.311	10	20	DGCD	
COC[C@H](N[C@@H](C)c1ccc(Br)cc1O)C(C)C	756598752	WSVJRCYYNPFKJE-GWCFXTLKSA-N	316.239	3.476	10	20	DGCD	
CCOCc1cc(CN[C@@H]2C[C@@H](OC)C2(C)C)ccc1OC	753374167	QGJZEXFVNDQAIJ-IAGOWNOFSA-N	307.434	3.135	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1O	756771334	VKXKXBDQAWILPS-ZMZPIMSZSA-N	319.351	3.155	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1	851988065	RXPVCBZJMDSREC-QGZVFWFLSA-N	301.434	3.275	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CCC34CCC4)cc2)CC1	850568525	ZZXMIFDXIAXALC-GOSISDBHSA-N	300.446	3.070	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C)[C@@H](C)C1)c1cc2c(cc1O)CCCC2	756611143	KEPOWSMPXSUDHX-GRDNDAEWSA-N	302.462	3.404	10	20	DGCD	
C[C@H](NC[C@@H](O)c1ccco1)c1cc2c(cc1O)CCCC2	756382570	RMMPRJWGIQOHNC-YVEFUNNKSA-N	301.386	3.248	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2c(C(C)C)nn(C)c2Cl)c1	862760225	NZGUXXNVYRBDSF-UHFFFAOYSA-N	321.808	3.141	10	20	DGCD	
CCOC(=O)[C@@H]1CC[C@@H](NCc2cc(C)ccc2O)C[C@@H]1C	862476443	UJKRBFJVARDGRB-NUEKZKHPSA-N	305.418	3.158	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCc2ccc(F)cc2)c1	862753711	GDENUECZNAOBOF-UHFFFAOYSA-N	301.361	3.479	10	20	DGCD	
Cc1ccc(CNC[C@H]2CCN(CCc3ccccc3)C2)c(O)c1	877007439	PYKDXDGWVBEWPU-LJQANCHMSA-N	324.468	3.355	10	20	DGCD	
COCCOC[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1	773024561	IVAIAQLKDYIUIV-DLBZAZTESA-N	320.477	3.379	10	20	DGCD	
CC(C)N(CC(=O)c1cccn1C)Cc1ccc(N(C)C)cc1	771792449	YVILSKGDYDSILW-UHFFFAOYSA-N	313.445	3.184	10	20	DGCD	
Cc1ccc(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)c(O)c1	876592134	ONTWYDFASZFEIK-UHFFFAOYSA-N	324.424	3.225	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]2CC(C)C)c1O	774834020	SDIHEERCOJXKPC-ZDUSSCGKSA-N	308.378	3.320	10	20	DGCD	
C[C@@H]1CN(CCCCN[C@H](C)c2c(O)cccc2F)C[C@@H](C)O1	886548268	ZTWKNQGPTHKFPL-RBSFLKMASA-N	324.440	3.071	10	20	DGCD	
COC(=O)N1CCC([C@H](C)N[C@@H](C)c2c(O)cccc2F)CC1	886594558	OYOTYWVEBNAOGQ-RYUDHWBXSA-N	324.396	3.049	10	20	DGCD	
C[C@H](NC[C@@H](CCO)c1ccccc1)c1c(O)cccc1F	886530518	LWLCOXQIUXBYTG-DZGCQCFKSA-N	303.377	3.348	10	20	DGCD	
C[C@H](NC[C@@H]1CCC=CO1)c1ccc(N2CCOCC2)c(F)c1	783302618	FPJXRZWSQBHEBI-HOCLYGCPSA-N	320.408	3.006	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cccc(O)n2)cc1F	897392320	WWQSZKWEYGLFAW-UHFFFAOYSA-N	317.408	3.405	10	20	DGCD	
Cc1nccnc1N(C)C(=O)/C=C/c1cnc(C(C)(C)C)s1	893287624	OXJJVVPIWAIEFR-VOTSOKGWSA-N	316.430	3.215	10	20	DGCD	
OCC[C@@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O	189932909	SHGIKIZEQRPOHV-TVQRCGJNSA-N	304.217	3.340	10	20	DGCD	
CO[C@@H]1C[C@H](NCc2ccc(Br)cc2O)C1(C)C	691476966	OYSOHHUTDYVLSX-QWHCGFSZSA-N	314.223	3.058	10	20	DGCD	
CN(C)c1ccc(CNCCCc2ccc3c(c2)CCO3)cc1	795892001	IMWRIOKYIWFDFW-UHFFFAOYSA-N	310.441	3.410	10	20	DGCD	
CCc1ccc(C(=O)NCc2cccc(OC)c2O)cc1CC	1323445441	MOCSFERSUHCORX-UHFFFAOYSA-N	313.397	3.456	10	20	DGCD	
C[C@@H](NCCc1ccc(N(C)C)cc1)c1cc(F)ccc1O	1320119235	YICDRMXSQGATFV-CYBMUJFWSA-N	302.393	3.491	10	20	DGCD	
CCC(C)(C)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1321075039	MUQBPQOELFVXLF-UHFFFAOYSA-N	307.457	3.198	10	20	DGCD	
CCOC(=O)C[C@H]1CCCN1Cc1ccc(N(C)CC)cc1	1321007471	HVMXNAAWVMQQIS-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1	1338730528	BKSYPNTUUWPEIM-HKUYNNGSSA-N	323.440	3.479	10	20	DGCD	
C[C@@H](Cc1ccc(O)cc1)N[C@H](C)c1cc(C(=O)O)ccc1O	1609755259	YTNCTARQIGXANQ-NWDGAFQWSA-N	315.369	3.078	10	20	DGCD	
Cc1noc(C)c1[C@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1600808644	WTFRGMPSDHZFEH-BDAKNGLRSA-N	304.346	3.107	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCC1(CC(=O)O)CC1	1600892805	LGGVEKCXHMSFOH-UHFFFAOYSA-N	302.399	3.434	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CNc2ccccc21)c1ccc(N(C)C)cc1	1576189786	VCILKPYTXFKCIR-CXAGYDPISA-N	309.413	3.139	10	20	DGCD	
C[C@H]1C[C@H](NC2CCC(C(=O)O)CC2)c2c(O)ccc(F)c21	1589291461	IVFRCODADDSPPC-YUVKLTJASA-N	307.365	3.313	10	20	DGCD	
CN(CC[C@@H]1CC1(Cl)Cl)c1ccc(OCC(=O)O)cc1	1598470721	QVOFIYYDBJSMOS-SNVBAGLBSA-N	318.200	3.170	10	20	DGCD	
CCC(CC)(CCSc1ncc(C(=O)O)s1)C(=O)OC	1595062954	GYAPAFAXZDACMT-UHFFFAOYSA-N	317.432	3.303	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H]3CCCC[C@@H]3C(=O)O)ccc21	1776876381	NLOQRCNTNGJQPP-DLBZAZTESA-N	316.445	3.192	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC(=O)NCc1ccccc1	324528114	YUGMOOZVIDSECN-GDBMZVCRSA-N	324.424	3.155	10	20	DGCD	
CC[C@@H](CNCc1cc(Cl)cc(Br)c1O)OC	708100273	UWVCWUVUEFRFSB-JTQLQIEISA-N	322.630	3.323	10	20	DGCD	
Cc1ccc(O)c(CNC2CC(CNC(=O)OC(C)(C)C)C2)c1	895580925	KTXLFLJHMFVEPM-UHFFFAOYSA-N	320.433	3.094	10	20	DGCD	
Cc1cccc(O)c1CNC1CCN(Cc2ccccc2)CC1	876894214	MHEPTSWAEHKADJ-UHFFFAOYSA-N	310.441	3.455	10	20	DGCD	
Cc1ccc2c(c1)nc(CNCc1ccc3c(c1)CCO3)n2C	187584491	AMTBTRCUYSNDAK-UHFFFAOYSA-N	307.397	3.106	10	20	DGCD	
CC[C@@H](Oc1ccccc1F)C(=O)N(C)Cc1ccccc1O	175345765	FRWXWXSOYOCLNT-MRXNPFEDSA-N	317.360	3.347	10	20	DGCD	
Cc1ccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)s1	181032505	SPYOBVHHVWAQCY-VMPITWQZSA-N	303.383	3.140	10	20	DGCD	
C[C@H](NC[C@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1O	185639395	TWYFLIYVLBGTQU-ISVAXAHUSA-N	322.257	3.218	10	20	DGCD	
C[S@](=O)C[C@H](NCc1cccc(Cl)c1O)c1ccccc1	182099765	IJYKAEOPHJBUSM-BTYIYWSLSA-N	323.845	3.255	10	20	DGCD	
c1csc(SCCCN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	121884764	XZTJKJQUMSVZNF-AVGNSLFASA-N	310.488	3.173	10	20	DGCD	
Cc1cncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1	189951828	QXWPKUIQNNNPKA-SFHVURJKSA-N	312.413	3.277	10	20	DGCD	
CC(C)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)on1	71100731	TYNYKYRJNQAKNK-UHFFFAOYSA-N	301.390	3.136	10	20	DGCD	
CCN(CC)Cc1cccc(NC(=O)c2cccc(O)c2O)c1	186900976	HRCLABZSVLYOKJ-UHFFFAOYSA-N	314.385	3.192	10	20	DGCD	
COc1ccc(N(C)Cc2c(F)cccc2[N+](=O)[O-])c(OC)c1	131873607	PIFGWVJMPNNKDP-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(OC)ccc2O)C12CCC2	185551407	XEDYHEJUJUTLFK-AFAVFJNCSA-N	305.418	3.399	10	20	DGCD	
CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2ccccc2O)C1	227444797	ZLSNWUXERQZLIN-AWEZNQCLSA-N	320.433	3.129	10	20	DGCD	
COc1ccc(N(C)Cc2ncc(C)c(OC)c2C)c(OC)c1	131928057	YKIWVAZEKIQRHQ-UHFFFAOYSA-N	316.401	3.361	10	20	DGCD	
Cc1noc(C2CCN(Cc3cc(Cl)ccc3O)CC2)n1	91835231	DAXNYZNHTSKQFH-UHFFFAOYSA-N	307.781	3.117	10	20	DGCD	
CCCOc1ccc(CNC[C@@H](O)c2ccc(F)cc2)c(O)c1	236818093	QOFALVQMUONLCS-GOSISDBHSA-N	319.376	3.143	10	20	DGCD	
CN1CC[C@H]2[C@@H](CCCN2Cc2c(O)ccc3ccccc23)C1	246197267	AKRPREMIDIUEGI-LPHOPBHVSA-N	310.441	3.462	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2CCCN(C)c3ccccc32)s1	255893227	MDGIEPQUDSPXOS-HJWRWDBZSA-N	313.426	3.338	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@H](C)C1)c1cc(Br)ccc1O	273463323	INCQBXMISURDSZ-SCVCMEIPSA-N	314.223	3.373	10	20	DGCD	
CC(C)C[C@@H]1C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	450042861	AAHVCDDKJCZBHS-UKRRQHHQSA-N	302.418	3.160	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C	273481233	MEDXDPZRCUYGGQ-ZIAGYGMSSA-N	304.434	3.059	10	20	DGCD	
CCN(CC)c1ccc(CNCCc2nnc(C)s2)cc1F	289778315	JJSGYSPXEKJHCM-UHFFFAOYSA-N	322.453	3.164	10	20	DGCD	
CCN(C(=O)/C=C/c1cncs1)c1ccc(OC)c(OC)c1	281504870	RVGGUDNNCFTXTG-SOFGYWHQSA-N	318.398	3.227	10	20	DGCD	
Cc1ccc(O)c(CNc2cc(N3CCOCC3)ccc2C)c1	281775248	TZLWVEKRQLXIEQ-UHFFFAOYSA-N	312.413	3.458	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1	296388292	JXTOQIHZZXVQAZ-HRCADAONSA-N	324.424	3.043	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cc(Cl)cc(C)c1O	808713999	LHXRQHLHHWJTNS-BYCMXARLSA-N	313.825	3.199	10	20	DGCD	
CC(C)(CO)[C@@H](NCc1cc(F)ccc1O)c1cccs1	296060845	QMHJTNUQEBDDBF-HNNXBMFYSA-N	309.406	3.442	10	20	DGCD	
COc1cc(CN(C)C[C@@H]2CCCN2C)c(O)c(C(C)(C)C)c1	817372485	IYBFCPVDWDHLGO-HNNXBMFYSA-N	320.477	3.224	10	20	DGCD	
Cc1ccc([C@@H](C)NCCN(C)C(=O)OC(C)(C)C)c(O)c1	185313987	YCNOBGHRYFVWLB-CYBMUJFWSA-N	308.422	3.218	10	20	DGCD	
C[C@H]1C[C@@H](CO)CN(Cc2ccc(N3CCCCC3)cc2)C1	817412702	OIORRRGJWHCWBS-FUHWJXTLSA-N	302.462	3.127	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCO[C@@H]3C[C@@H]32)c1C	816896914	UUHYVYKPWJROFB-ZWKOTPCHSA-N	310.397	3.016	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CSCCC(C)C)c1	728981815	FCMJVHNEVQWAHF-GFCCVEGCSA-N	311.447	3.357	10	20	DGCD	
COc1ccc(F)cc1/C=C1\SC(N2CCCCC2)=NC1=O	812241919	OPRWXGLKRHOWKF-UVTDQMKNSA-N	320.389	3.291	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1C[C@H]1C1CCC1	823879501	HNMPFJARQRXEAV-DLBZAZTESA-N	301.434	3.049	10	20	DGCD	
Oc1cc2c(cc1CN[C@H]1CSc3ccccc31)OCO2	735508887	PTDPFBKLHFEBCZ-LBPRGKRZSA-N	301.367	3.058	10	20	DGCD	
C[C@@H](CC(=O)N(C)Cc1ccccc1O)C(=O)c1ccccc1	732827131	AIGSMZMLRUHNDR-AWEZNQCLSA-N	311.381	3.260	10	20	DGCD	
COc1ccc2c(c1)CCCCN2C(=O)c1cc(O)cs1	831504904	XIGWCNJIOPFNRE-UHFFFAOYSA-N	303.383	3.445	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1c[nH]c(C(=O)O)c1	833497118	ZXPQCAHCOIYAJS-UHFFFAOYSA-N	315.417	3.190	10	20	DGCD	
CCc1cccc(CN2CCC[C@](OC)(C(F)(F)F)C2)c1O	848905832	PAIYCISZZHCFID-OAHLLOKOSA-N	317.351	3.498	10	20	DGCD	
CO[C@H](CC(C)C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	841347374	RNIFJVHNQJQGAL-MAUKXSAKSA-N	320.477	3.169	10	20	DGCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCC[C@@H]1C(C)(C)C	841688448	HPDMIKCACOBFDI-ZOBUZTSGSA-N	319.445	3.465	10	20	DGCD	
CCOC[C@H](O)CN(Cc1ccccc1)c1ccc(OC)cc1	747670711	TZXHLYMPKVMNRU-GOSISDBHSA-N	315.413	3.099	10	20	DGCD	
Cc1ccc2c(c1)N(C(=O)/C=C\c1cncc(F)c1)C[C@H](C)O2	747896789	XUELAJUPZIJLQM-AGLBCWCQSA-N	312.344	3.356	10	20	DGCD	
Cc1csc2ncnc(N[C@H](C)Cc3ccc(O)c(O)c3)c12	840283939	CNEDBTYBWWFHCT-SNVBAGLBSA-N	315.398	3.454	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@H]3CNC[C@@H]3C2)cc1F	843341233	SOVPXAWLERQCBI-YESZJQIVSA-N	319.468	3.150	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCSCC(C)C	756114196	OIZVLJGXLOLYDV-UHFFFAOYSA-N	323.506	3.249	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[C@@H]3C2)cc1	851987475	OALCUYGJOAMQPT-JKSUJKDBSA-N	301.434	3.084	10	20	DGCD	
COc1cc(CN[C@H]2CC[C@@H](CO)CC2)c(O)c(C(C)(C)C)c1	850188739	YMMSRCCXXBRTDE-OTVXOJSOSA-N	321.461	3.339	10	20	DGCD	
Cc1ccccc1[C@H](CO)NCc1cc(F)c(N(C)C)cc1F	858147916	DQCUQHBMZRLLQA-KRWDZBQOSA-N	320.383	3.162	10	20	DGCD	
CCc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)o1	850406265	ZEWIPXWXIFPTIU-UHFFFAOYSA-N	314.429	3.093	10	20	DGCD	
CC(=O)NCc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1	757606220	ZFTVUZFAJRFQMW-NSHDSACASA-N	302.349	3.341	10	20	DGCD	
COc1cc(N2CC[C@H](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC	758956775	YMMIJROEKMPOIT-NSHDSACASA-N	308.378	3.484	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1coc(SC)c1	935945137	MAMMVVPGFKBLPN-UHFFFAOYSA-N	312.387	3.123	10	20	DGCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H](C)N(C2CCC2)C1=O	761576056	AEJSFJRZHLGZTJ-QWHCGFSZSA-N	315.417	3.019	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c1	862756906	AEGIGFLDISBZMS-RHSMWYFYSA-N	305.418	3.158	10	20	DGCD	
Cc1cc(O)c([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1C	877857378	QFPJOWPFFVWUCJ-KRWDZBQOSA-N	316.445	3.408	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCC(C)(C)O)c2C)c1	773394741	WNSJKSUAYAHNNS-UHFFFAOYSA-N	314.429	3.293	10	20	DGCD	
CSC1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1	789212177	FWFAYFWBQFTXKT-CYBMUJFWSA-N	321.490	3.399	10	20	DGCD	
COCCCN(Cc1ccncc1)Cc1cc(F)cc(F)c1O	894769367	FKRQGMOANBETLB-UHFFFAOYSA-N	322.355	3.104	10	20	DGCD	
CSCC[C@@H](C)NCc1c(O)cccc1Br	706880461	ATIBHJJIVFGSHH-SECBINFHSA-N	304.253	3.386	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)OC1CCCCC1	1318575895	CHNQOWAYEFALGV-HNNXBMFYSA-N	318.461	3.415	10	20	DGCD	
Cc1cc(CNC(=O)CNC(C)(C)C)c(C)n1-c1ccccc1	1331820889	JWNXZUHKWAVIEK-UHFFFAOYSA-N	313.445	3.098	10	20	DGCD	
NC[C@@H](Cc1ccccc1)[C@H]1CCCCN1Cc1ccc(N)cc1	1262487928	KFDJZOQTUDSKQA-TZIWHRDSSA-N	323.484	3.441	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(N(C)C)nc1	1342388629	AVLONFOVPBQYDZ-UKRRQHHQSA-N	311.429	3.500	10	20	DGCD	
CN(C(=O)c1ccc(CN2CCCCC2)o1)c1ccc(N)cc1	1342237821	CCXYITKRQQKXOZ-UHFFFAOYSA-N	313.401	3.124	10	20	DGCD	
O=C(NCc1cccc(O)c1O)C1(c2ccccc2)CCCC1	1350299904	KNYWFLITIKECLS-UHFFFAOYSA-N	311.381	3.226	10	20	DGCD	
CC[C@H](C(=O)O)N(C)C(=O)c1sccc1-n1c(C)ccc1C	1603498389	BFKUGMOSMGDBLA-GFCCVEGCSA-N	320.414	3.091	10	20	DGCD	
CC(C)CC[C@](C)(NCc1ccc2c(c1)CCCO2)C(=O)O	1776323119	SZXCEVBOURSOTF-SFHVURJKSA-N	305.418	3.381	10	20	DGCD	
CC(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	57512287	OYNJPPSRQFPUJJ-SFHVURJKSA-N	318.461	3.306	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1cc(F)c(F)cc1F	105045661	HEOCDBJYBAFWIK-UHFFFAOYSA-N	310.275	3.473	10	20	DGCD	
O=C(CCCc1ccccn1)NCc1ccc(N2CCCC2)cc1	170902091	YMCIQSGINUGYIA-UHFFFAOYSA-N	323.440	3.321	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(F)cc1F	175924878	WFCOELXMRGGFTO-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
CN(C)c1ccc(CNc2c(F)c(F)nc(F)c2F)cc1F	301594238	FDDGAVHBACOZFG-UHFFFAOYSA-N	317.261	3.455	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1	114543166	BNCLCGOSMFDWKZ-GDBMZVCRSA-N	303.402	3.255	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(F)c(Cl)c2)c1O	119646361	DVVXRPMJZFJAOH-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CN(CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccccc1O	111235291	VNJBQOYCMVUHFC-HXUWFJFHSA-N	324.424	3.092	10	20	DGCD	
CCCN(CC(=O)N1[C@@H](C)CCC[C@H]1C)Cc1ccccc1O	174372382	SEXOQRJURNCEKB-IYBDPMFKSA-N	318.461	3.394	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C	128345614	YGHCBCRHEIGYCY-CVEARBPZSA-N	313.445	3.250	10	20	DGCD	
COC(=O)c1ccc(NCc2cccc(C)c2O)c(OC)c1	188709753	GCGHNZYJPKDRFP-UHFFFAOYSA-N	301.342	3.108	10	20	DGCD	
CN(Cc1ccccc1O)[C@@H]1CCCN(Cc2ccccc2)C1=O	89912291	QZQTYCXXOIAZPS-GOSISDBHSA-N	324.424	3.015	10	20	DGCD	
C[C@H]1[C@@H](NCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1	383365353	UYBVHZWAENAUIV-JXFKEZNVSA-N	322.452	3.374	10	20	DGCD	
COc1cc(NCc2cccc(OC)c2O)c(F)cc1[N+](=O)[O-]	91479363	QCEBWZJAQXXYMK-UHFFFAOYSA-N	322.292	3.069	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C(F)(F)c2ccc(F)cc2)cc1	147391847	HUEAMNNLGWETJT-UHFFFAOYSA-N	322.330	3.300	10	20	DGCD	
Oc1ccccc1CN1CCN(c2cccc3[nH]ccc23)CC1	529671036	XRCALSCRXONTNY-UHFFFAOYSA-N	307.397	3.196	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1CCOC2(CCCCC2)C1	269186707	DENYZQRASRYDTN-OAHLLOKOSA-N	318.417	3.073	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc(F)ccc2O)c(OC)c1	273364890	DXHDYYRLDXGVDY-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2C)c(C)n1-c1ccccc1	278783503	YLLXNQFVVDBSAW-FZKQIMNGSA-N	312.413	3.249	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCCN(C2CCC2)C1	272742556	BFSUCUKWTQXJHO-FUHWJXTLSA-N	315.505	3.495	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H](C)C1	282429598	HISVPVZASAKHTR-HUUCEWRRSA-N	305.418	3.336	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CSC	283730669	XHIMRMXIRMYYTC-ZDUSSCGKSA-N	310.463	3.455	10	20	DGCD	
C[C@@H](NC1CCN(c2nccs2)CC1)c1ccccc1O	281430263	CCNYJEVXBZSCJH-GFCCVEGCSA-N	303.431	3.168	10	20	DGCD	
C[C@@H](N[C@@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1	283376165	OJHGVBVBWSVBLX-MLGOLLRUSA-N	324.465	3.207	10	20	DGCD	
CCN(CC)c1ccc(CN(C)c2nnc(C(C)C)n2C)cc1	800743791	QYPIHUTYOYMIIJ-UHFFFAOYSA-N	315.465	3.421	10	20	DGCD	
COCCCN(Cc1ccncc1)Cc1cc(Cl)ccc1O	809740478	AFCSLHWTLXZKQH-UHFFFAOYSA-N	320.820	3.479	10	20	DGCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]2CCC[C@H]21	294874464	UBWJWWZCJDOVHR-QPJKDDTCSA-N	301.386	3.148	10	20	DGCD	
C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(N(C)C)c(F)c1	809701401	XMGSSYZFWYQRKE-GOEBONIOSA-N	308.441	3.407	10	20	DGCD	
Oc1cccc2c1[C@H](NCC1([C@@H](O)c3ccccc3)CC1)CC2	297047264	VLCRVGJOFBQBAZ-APWZRJJASA-N	309.409	3.483	10	20	DGCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N3CCC3)cc2Cl)C1	800719361	JXGWGAKNTPEZIM-ZDUSSCGKSA-N	321.852	3.492	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3cc(Cl)c(F)cc3O)CC[C@@H]21	816521530	ROVSMCVWMRVMPK-NHYWBVRUSA-N	312.816	3.101	10	20	DGCD	
C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1F	818545168	MLVXTGLOABOEBH-LBPRGKRZSA-N	318.367	3.400	10	20	DGCD	
C[C@@H](N[C@H]1CC12CCNCC2)c1ccc(N2CCCCC2)cc1	817976365	KRVAEWKAZOTSGJ-APWZRJJASA-N	313.489	3.470	10	20	DGCD	
Cc1c(NCc2cccc(Cl)c2O)cccc1-c1nn[nH]n1	826242520	SHDDKXIAMHJXBG-UHFFFAOYSA-N	315.764	3.146	10	20	DGCD	
CC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@H](C)O	824921294	IMBIGHRKHQFONS-IINYFYTJSA-N	304.356	3.020	10	20	DGCD	
CCc1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc1	832431261	MOVULLAXNJAEQH-AWEZNQCLSA-N	311.429	3.130	10	20	DGCD	
O=C(NCCCCOCCc1ccccc1)c1cc(O)cs1	732274570	ROJGNLSRKNBAKA-UHFFFAOYSA-N	319.426	3.223	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@]1(C)CC=CCC1	838477667	GKHPCYBASDQAJM-GOSISDBHSA-N	301.434	3.359	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2(C)CCCCCC2)cc1	832286178	WVGQQWHEZHCKSO-QGZVFWFLSA-N	317.477	3.229	10	20	DGCD	
CCc1cccc(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c1O	848890558	RTXNZDDHXRFGKU-LBPRGKRZSA-N	316.367	3.023	10	20	DGCD	
CC(C)n1ccc(NC(=O)NCc2cc(Cl)ccc2O)n1	844652486	HFHGWQSGDOGSPJ-UHFFFAOYSA-N	308.769	3.145	10	20	DGCD	
C[C@H](NC[C@@H](O)COc1ccccc1)c1ccc(Cl)cc1O	841745511	ZDZOSOKRIWXNIH-GXTWGEPZSA-N	321.804	3.136	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCCc3cc(F)cc(Cl)c32)cn1	841306338	WCVREXFUBKDJHT-PLNGDYQASA-N	319.767	3.205	10	20	DGCD	
Cn1cc(CNCCc2ccc(N)cc2)c(C2CCCCC2)n1	841036035	SCNXUCMWIYYJGY-UHFFFAOYSA-N	312.461	3.382	10	20	DGCD	
CCOc1ccc(N(CC)Cc2nnc(OCC)s2)cc1	746156476	KVWKCEYDTLSGDY-UHFFFAOYSA-N	307.419	3.362	10	20	DGCD	
CC1(C)[C@H](NCc2ccc3c(c2)CCCO3)[C@H]2CCCO[C@H]21	921782119	QWTFLWDUCYFGMJ-KBAYOESNSA-N	301.430	3.305	10	20	DGCD	
CO[C@H]1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1	752738467	YKBVDVJPGPCSFU-INIZCTEOSA-N	312.413	3.263	10	20	DGCD	
COc1ccc(N(Cc2noc3c2COCC3)C(C)C)cc1F	929951393	SERLZMRAQUUXAC-UHFFFAOYSA-N	320.364	3.310	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1	754832616	HLVKPPIYQQFPEO-RCCFBDPRSA-N	300.446	3.190	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(OC)c2)c1	756796574	RNULPPXQKDYILS-LLVKDONJSA-N	301.342	3.361	10	20	DGCD	
COc1ccc(C)cc1CC(=O)NCc1cc(Cl)ccc1O	857547487	GRTKLWYUIJTLLV-UHFFFAOYSA-N	319.788	3.222	10	20	DGCD	
C[C@H]1CN(Cc2cc(F)ccc2O)CC[C@@H]1C(=O)OC(C)(C)C	862485141	HSBDAWPSZCKOBZ-WFASDCNBSA-N	323.408	3.331	10	20	DGCD	
CCC(=O)C1(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1	863163400	AWFNRYFFFJKBIG-UHFFFAOYSA-N	324.424	3.470	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc2cccn2cn1	935855081	KTTJZLYHODPIQE-UHFFFAOYSA-N	323.396	3.482	10	20	DGCD	
CCO[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C	760319340	JCZPJUYGDPNHMA-KRWDZBQOSA-N	306.450	3.162	10	20	DGCD	
Cc1cccc(O)c1CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1	876652449	CUIJUKHCCCGFJX-AWEZNQCLSA-N	320.433	3.047	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1OC	776174549	FKFMGALWHBEZLI-KCQAQPDRSA-N	305.418	3.468	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cc(Br)cc(C)c2O)n[nH]1	779023025	BAZBBCPXAACPQE-JTQLQIEISA-N	324.222	3.345	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@@H]3CCCC3(F)F)cc2)CC1	877566405	YMCQKGORSXGPAJ-HNNXBMFYSA-N	324.415	3.173	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)cc1	773753248	DWACBFAVOSYZIA-WFASDCNBSA-N	316.367	3.294	10	20	DGCD	
C[C@@H](CN(C)C(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1	779513420	HKPYBLGAXCQMQW-FPAJZGIOSA-N	311.381	3.373	10	20	DGCD	
COc1cccc(O)c1CNc1ccc(C)c(NC(C)=O)c1	770411071	DNFKEWBQXGWZRG-UHFFFAOYSA-N	300.358	3.280	10	20	DGCD	
CC1CCN(CCCCNCc2cc(F)cc(F)c2O)CC1	882893273	POJOCRXLURKQPB-UHFFFAOYSA-N	312.404	3.272	10	20	DGCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@H]2F)cc1	1123826316	PIDRCQZINHDUOW-CHWSQXEVSA-N	318.314	3.002	10	20	DGCD	
O=C(O)C1(NCc2ccc(N3CCCCC3)cc2)CCCC1	789897388	HZWVOVIGMQWZMZ-UHFFFAOYSA-N	302.418	3.164	10	20	DGCD	
COc1ccc(CNc2cccc(N(C)C)c2C)c(O)c1OC	892403678	QIZRTUMQNYEMOY-UHFFFAOYSA-N	316.401	3.396	10	20	DGCD	
COc1ccc(CNc2cncc(Cl)c2C)c(O)c1OC	894658957	QZONDNGFMPZKET-UHFFFAOYSA-N	308.765	3.378	10	20	DGCD	
COc1ccc(CNC(=O)Nc2c(F)cccc2F)c(O)c1	797607358	SJVOVYYCGDTSDF-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
CCN1C(=O)/C(=C/c2cc(C(=O)O)c(C)cc2C)SC1=S	794926672	LSFAMNSGOBDTHI-GHXNOFRVSA-N	321.423	3.223	10	20	DGCD	
C[C@@H](Nc1cnn(Cc2cccnc2)c1)c1ccc(F)cc1O	1320424189	GJHZLONCJQREIQ-GFCCVEGCSA-N	312.348	3.344	10	20	DGCD	
COC(=O)[C@@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O	1320717505	SHNXHOZTSCXZMY-ZYHUDNBSSA-N	318.200	3.130	10	20	DGCD	
Cc1ccc(/C=C\C(=O)Nc2c(Cl)ccc3nonc23)cn1	1325345191	LGSJUWIROOTGMI-DAXSKMNVSA-N	314.732	3.232	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2cc(C)oc2C)c1	1331297905	QVCKNZBKNNHFRE-LBPRGKRZSA-N	302.374	3.471	10	20	DGCD	
CC(C)[C@H](CNC(=O)c1cc(O)cs1)Nc1ccccc1	1348614439	SWUSVDMFCXKWRO-AWEZNQCLSA-N	304.415	3.320	10	20	DGCD	
CC(C)c1ocnc1COc1ccc(N(C)C)c(C(=O)O)c1	1604029380	JNBYGHIPELCBJC-UHFFFAOYSA-N	304.346	3.141	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]1O)c1cc(Br)ccc1O	248581909	WFPQHQSIFIYBKO-OUCADQQQSA-N	314.223	3.109	10	20	DGCD	
Cc1cc(O)c(CNC[C@](C)(O)c2ccc(F)cc2)cc1C	157777029	IYCCIGLOFQSXAZ-SFHVURJKSA-N	303.377	3.145	10	20	DGCD	
C[C@H](NCC1(CO)CC1)c1ccc(N2CCCCCC2)cc1	157359350	YVUVLTYFEOKRKG-INIZCTEOSA-N	302.462	3.490	10	20	DGCD	
COc1cccc(CNC(=O)C2C3CC4CC(C3)CC2C4)c1O	155477878	KVCIJDIJPRLKPF-UHFFFAOYSA-N	315.413	3.089	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(Br)ccc2O)C[C@H]1C	824815770	YZCJLJUBKVVMMN-QMTHXVAHSA-N	314.223	3.012	10	20	DGCD	
COc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c(F)c1	103530400	HRGRCEZHXRLSOK-SNVBAGLBSA-N	319.332	3.040	10	20	DGCD	
Cc1noc(-c2ccc(C(=O)N(C)Cc3ccccc3O)cc2)n1	53915575	FEYVSXGHCWCSTA-UHFFFAOYSA-N	323.352	3.023	10	20	DGCD	
CCN1CC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1	124163457	GZIIOLNVNWKHGR-SFHVURJKSA-N	301.478	3.108	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC[C@](C)(O)c2ccccc2)c1	187909809	YKZUGNAXFRYVSM-KUHUBIRLSA-N	315.413	3.349	10	20	DGCD	
C[C@H](NCc1ccccc1OCCN(C)C)c1ccccc1O	183470812	MXVMRTVBQPAROL-HNNXBMFYSA-N	314.429	3.183	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H]2CCCO[C@@H]2CC(C)C)c1O	186397644	DIYXDWXXJITXSD-DLBZAZTESA-N	323.408	3.417	10	20	DGCD	
CCOc1cccc([C@H]2NC(=O)c3c(Cl)cccc3N2)c1O	78788509	QZPRLPDUWCQTAE-OAHLLOKOSA-N	318.760	3.298	10	20	DGCD	
CN(Cc1ccc([S@@](C)=O)cc1)Cc1cccc(Cl)c1O	180503428	DNMSKUYSJSQCEE-OAQYLSRUSA-N	323.845	3.415	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)C2CCN(C(C)C)CC2)c1O	79407027	SAKKQXDBRCNOQM-UHFFFAOYSA-N	322.424	3.039	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ccc(-n3ccnc3C)nc2)c1	185084159	LBLCQZVKUQOQHI-AWEZNQCLSA-N	322.412	3.441	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@H](C)c1cc2c(cc1O)CCCC2	185155196	OHRKERBNBXGFNW-UONOGXRCSA-N	318.461	3.226	10	20	DGCD	
CC(C)Cn1cc(CN(C)Cc2ccc(N(C)C)cc2)cn1	182919357	FNQRJRDHAUNOIY-UHFFFAOYSA-N	300.450	3.237	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H](CO)Cc2c[nH]c3ccccc23)c(O)c1	185464560	JCKJCBHTNUODRR-GDBMZVCRSA-N	324.424	3.436	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)C[C@@H]2CCCCO2)c1O	48949091	YZGOBBYNKBZSSV-AWEZNQCLSA-N	311.809	3.249	10	20	DGCD	
CSC[C@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	93760941	NIODXAVWYBMLIZ-LLVKDONJSA-N	316.810	3.281	10	20	DGCD	
C[C@H](CC[S@](C)=O)N[C@H](C)c1ccc2ccccc2c1O	252817045	XNEPSSSMAKZCFV-ZNLKAECVSA-N	305.443	3.353	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCC[C@@H]2c2noc(C)n2)c1	367475477	ZUBPDJTZJXHNCU-OAHLLOKOSA-N	317.389	3.210	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1	271233938	CWHZSMZKBOQJGL-QZTJIDSGSA-N	314.429	3.434	10	20	DGCD	
CC[C@@H](C)c1nc([C@H](C)NCc2ccc(OC)c(C)c2)n[nH]1	277489541	UCYXNTCDEPXISY-YPMHNXCESA-N	302.422	3.486	10	20	DGCD	
COc1cccc(CN[C@H](C)[C@H](OC)c2ccccc2F)c1O	271922367	CGDVXMNWKOMSON-XIKOKIGWSA-N	319.376	3.406	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)C(F)(F)F)CC2)cc1	373785564	FOWULCJAUSJDAZ-LLVKDONJSA-N	302.340	3.204	10	20	DGCD	
CCCCNC(=O)[C@H](C)N(CCCC)Cc1ccccc1O	801598514	BGHBDEWWZKBWGI-HNNXBMFYSA-N	306.450	3.299	10	20	DGCD	
CCc1csc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	801200371	KTTROOQYNZLEHK-GFCCVEGCSA-N	317.458	3.191	10	20	DGCD	
Cc1cc(Br)c(O)c(CN(C)[C@@H]2CCCOC2)c1	809692794	GXZFNSMFWSTAOP-GFCCVEGCSA-N	314.223	3.074	10	20	DGCD	
CN(C)c1ccc(CNCc2ccnc(C(F)(F)F)c2)cc1	295132750	YHRUEZMHINGXHO-UHFFFAOYSA-N	309.335	3.456	10	20	DGCD	
CC[C@@](C)(OC)C(=O)NCc1cc(Cl)cc(Cl)c1O	807836856	RNQLFASDSNEDEQ-CYBMUJFWSA-N	306.189	3.130	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CCCSC2)C2CC2)cc1	810064321	BLGCQNNGWRLEIP-HNNXBMFYSA-N	318.486	3.387	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@H](O)C1CCCCC1	816546277	DUUYLRWMAAHFRG-HNNXBMFYSA-N	301.789	3.216	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c(O)c1O	817634105	XGBOZZKLIRVJTN-JTQLQIEISA-N	317.307	3.211	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2ccc(F)cc2O)s1	818355874	KJRJERYOXDVQRX-DTWKUNHWSA-N	324.377	3.186	10	20	DGCD	
CCc1nc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc2o1	588403893	CZTZUEKVLGRTKU-YWEYNIOJSA-N	324.336	3.453	10	20	DGCD	
O=C(OCc1cc(-c2ccccc2)no1)c1cc(O)cs1	732355001	ZHOPCBORZUPGMF-UHFFFAOYSA-N	301.323	3.466	10	20	DGCD	
O=C(O)CC[C@H]1CCCCN1Cc1c(O)ccc(Cl)c1F	903698419	TVGBDQMFWRBNLL-SNVBAGLBSA-N	315.772	3.404	10	20	DGCD	
CCc1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)sc1C	588403909	HJIGIPJOBICFRO-ALCCZGGFSA-N	304.371	3.077	10	20	DGCD	
CO[C@H](CN[C@H](C)c1cc(F)ccc1O)Cc1ccccc1	834857053	YLDBOEYZJBXBFF-CJNGLKHVSA-N	303.377	3.440	10	20	DGCD	
Cc1cc(C(=O)O[C@H]2CCOC2)c(C)n1-c1ccc(F)cc1	730400687	NHQGFLRPEGEDCO-HNNXBMFYSA-N	303.333	3.179	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H](C2CCC2)C2CC2)cc1F	836686744	DKFGNMLKYZZVQJ-QGZVFWFLSA-N	319.424	3.270	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	914689452	CXQLUEOCSBRKIF-VKZRIFJHSA-N	315.461	3.377	10	20	DGCD	
CC(C)Oc1ccc(C(=O)COC(=O)c2cc(O)cs2)cc1	732353897	CPYDAYJUMDNGMQ-UHFFFAOYSA-N	320.366	3.281	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)NCc2cccs2)cc1	746159745	ZOJWDFPIYWYAHJ-UHFFFAOYSA-N	318.442	3.290	10	20	DGCD	
CCc1cccc(CN[C@@H]2CC[C@@H]3SCCS[C@H]32)c1O	848900975	SNXOXRBQJOIIHR-YCPHGPKFSA-N	309.500	3.424	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1ccn(C2CCCC2)n1	846477364	SINGUHILFMXILG-UHFFFAOYSA-N	319.792	3.287	10	20	DGCD	
C[C@@H](NCCCCCCN)c1cc(Br)ccc1O	843341188	HHSHLXGQPSLEHP-LLVKDONJSA-N	315.255	3.324	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc(C3CC3)cc2)cc1	841040867	ARHSRCYEJLWQFU-HXUWFJFHSA-N	309.457	3.420	10	20	DGCD	
C[C@@H](NCCC(=O)N1CCCCC1)c1ccc(Cl)cc1O	841746288	XSDYRTXSMGFUAV-GFCCVEGCSA-N	310.825	3.099	10	20	DGCD	
C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1	841301772	YMOHDFFYVMIJBQ-KBPBESRZSA-N	318.465	3.147	10	20	DGCD	
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C1(CC)CC	841299508	IDGWAYPJFFXOFR-HUUCEWRRSA-N	305.422	3.374	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ccco1	840237257	ILMNOFDFNYLBCA-AWEZNQCLSA-N	315.417	3.084	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(OCc3ccccc3)cc2O)CO1	843432173	IRVGHLPEKCGYSC-PBHICJAKSA-N	313.397	3.238	10	20	DGCD	
CCN(C)c1ccc(CN(C)Cc2cc(C(=O)O)c(C)o2)cc1	846260847	JZQAAAGLGLBXOD-UHFFFAOYSA-N	316.401	3.374	10	20	DGCD	
Cc1csc(CCCCNC(=O)Nc2ccc(N)cc2)n1	841301107	APZJXTAMFNUIMU-UHFFFAOYSA-N	304.419	3.178	10	20	DGCD	
COc1ccc(CNCc2ccc3c(c2)CCCO3)cc1F	921505112	YUXJGDMEXRULNF-UHFFFAOYSA-N	301.361	3.449	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2ccccc2N(C)C)cc1F	858142267	XOPIVXOSOJMZHF-UHFFFAOYSA-N	319.399	3.387	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](O)CNCc1c(O)cccc1Cl	850411996	QRBYNSFOMKIVLL-SJKOYZFVSA-N	305.805	3.300	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCCc2ccoc2)cc1	851986894	HROZKPWRBONXSP-UHFFFAOYSA-N	315.417	3.168	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCCc2ccccc21)c1ccc(F)cc1O	756561744	HQGDEZHMVSVLLW-DJJJIMSYSA-N	315.388	3.406	10	20	DGCD	
Cc1nn(C)c(C)c1CN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756513612	OQNGAEBPJKOKAZ-OTYXRUKQSA-N	303.381	3.220	10	20	DGCD	
COc1cc(C)cc(CN2CCC(CN(C)C(C)C)CC2)c1O	754731800	HIYQXQGTWKWDEY-UHFFFAOYSA-N	320.477	3.261	10	20	DGCD	
COc1ccc(CNCc2cccnc2N2CCCC2)cc1C	850352944	NDWRFXCUHIBXOW-UHFFFAOYSA-N	311.429	3.289	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(C)c(C)c1O	756710666	DWZKPKUKVSZVLT-RHSMWYFYSA-N	315.413	3.402	10	20	DGCD	
CCC[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OCC	858368912	PJAHNARWBGURRE-RHSMWYFYSA-N	321.465	3.318	10	20	DGCD	
Cc1cccc2c1CCCN2Cc1cc2c(cc1O)OC[C@@H]2O	768462916	OWRWOHPTUKHKFM-SFHVURJKSA-N	311.381	3.079	10	20	DGCD	
CN(Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCCCNC1=O	769200760	CNPDLXIUSWZLHS-SFHVURJKSA-N	324.424	3.160	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cnc2ccc(Cl)cn12	768872345	HKOWVWCOZNZMJR-UHFFFAOYSA-N	301.777	3.325	10	20	DGCD	
Cc1ccc(CN[C@@H](C)C[C@H](O)c2ccc(F)cc2)c(O)c1	877131359	YKAJIXZEQDZFMH-UGSOOPFHSA-N	303.377	3.442	10	20	DGCD	
Oc1ccc2c(c1)OCCN(Cc1ccc(N3CCCC3)cc1)C2	1117628479	HJNJRFPVMNHLGW-UHFFFAOYSA-N	324.424	3.387	10	20	DGCD	
CN(C)c1ccc(CNc2nnc(CC(F)(F)F)s2)cc1	771756007	CVUDOFJFTNZHLN-UHFFFAOYSA-N	316.352	3.321	10	20	DGCD	
CC(C)[C@H](N[C@@H](C)c1c(O)cccc1F)[C@H](O)C(F)(F)F	886644381	BNMYGASAEOIUKK-HJIKLVIJSA-N	309.303	3.130	10	20	DGCD	
COC1CCC(C(=O)NCc2c(O)ccc3c2CCCC3)CC1	780935286	IAUQPQPHVAMGON-UHFFFAOYSA-N	317.429	3.092	10	20	DGCD	
CCn1cnc2c1CCN(Cc1cc(Cl)c(C)cc1O)C2	897333354	FHTRJZKRVYKDTQ-UHFFFAOYSA-N	305.809	3.129	10	20	DGCD	
CC[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCO1	798459962	PMRPCMJTLUDCOQ-PBHICJAKSA-N	319.449	3.024	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C2CCCC2)C1	793024455	KJBSREOQFWOXRB-UHFFFAOYSA-N	315.461	3.393	10	20	DGCD	
CCCn1ncnc1CN(C)Cc1ccc(N(CC)CC)cc1	790268964	UMPCSWGBXHKMGB-UHFFFAOYSA-N	315.465	3.166	10	20	DGCD	
CCCCOCCNCc1ccc(Br)cc1O	691430068	RIQVLCKQIAWGOP-UHFFFAOYSA-N	302.212	3.061	10	20	DGCD	
COc1ccc(CNCc2ccc(SC)c(OC)c2)c(O)c1	793385596	CLZZOINSGOUGQS-UHFFFAOYSA-N	319.426	3.421	10	20	DGCD	
CCN1CCC[C@H](CNCc2c(O)ccc(Cl)c2F)C1	790961958	FTCQARUBTIVHIR-LLVKDONJSA-N	300.805	3.006	10	20	DGCD	
CC[C@]1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCOC1	791416398	NHUCRNZNZVTGRX-IBGZPJMESA-N	312.413	3.393	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cnn(CC(F)F)c2)cc1F	1329710352	IHFIMJBWNDVTLO-UHFFFAOYSA-N	316.302	3.105	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCOC[C@H]1CCOC1	1254720837	AIXNCQVHKPZDGG-OAGGEKHMSA-N	319.445	3.282	10	20	DGCD	
Cc1ccc(O)c(CN(CC(=O)O)Cc2ccc(F)c(F)c2)c1	1607811234	NPVGLTFFUBUQRE-UHFFFAOYSA-N	321.323	3.066	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC(CCF)CC2)c([N+](=O)[O-])c1	1608661516	YQLJGEQITHUJFR-DUXPYHPUSA-N	322.336	3.269	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1	227684601	UWIZBLKDBCXMJW-QWHCGFSZSA-N	308.422	3.264	10	20	DGCD	
COC[C@@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)c1ccc(C)o1	1610249628	RJVCKQFVZWPTCT-SMDDNHRTSA-N	319.357	3.030	10	20	DGCD	
Cc1cncc(/C=C\C(=O)N2CC[C@H](C(=O)O)c3ccccc32)c1	1594432638	RWGSRWQSEWWNIA-WLMCBFPDSA-N	322.364	3.008	10	20	DGCD	
CCN1CCc2cc(CN[C@H](C)CCC[C@@H](C)C(=O)O)ccc21	1776884677	HYNWAUSOMIPISV-HUUCEWRRSA-N	318.461	3.438	10	20	DGCD	
C[C@@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1O	176985554	UKYKRGHVAJBDEW-GHMZBOCLSA-N	320.330	3.066	10	20	DGCD	
Cc1ccc(NC(=O)CN(C)Cc2ccccc2O)c(Cl)c1	109769553	OKWGRUGHMSLTHR-UHFFFAOYSA-N	318.804	3.425	10	20	DGCD	
CC(C)C(=O)NC[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1	179931198	YYRLBKCNCQUNCQ-ZDUSSCGKSA-N	324.852	3.030	10	20	DGCD	
Cc1ccc(C(=O)OCc2nc3ccccc3s2)c(O)c1O	110523657	WLLFZKCFRFOCSU-UHFFFAOYSA-N	315.350	3.373	10	20	DGCD	
C[C@H](NCCCO[C@@H]1CCOC1)c1ccc2ccccc2c1O	185703082	MJHFCGORYGVFIK-GOEBONIOSA-N	315.413	3.392	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc(Cn3cncn3)cc2)c1	184953870	WBXWTICQGXFWJV-OAHLLOKOSA-N	322.412	3.191	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2ccccc12	186400586	AIJGQXSSKGWBNU-GFCCVEGCSA-N	322.364	3.007	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1c1cccc(F)c1	186988624	NHXHVUUFVNTIJK-AWEZNQCLSA-N	301.317	3.214	10	20	DGCD	
CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1	189405285	UNHKTURJVCAMSN-HZPDHXFCSA-N	317.477	3.194	10	20	DGCD	
CC[C@@H]1C[C@H](C(=O)NCc2ccc(N(CC)CC)cc2)CCO1	183211136	PTELHEHZJFVNOO-SJLPKXTDSA-N	318.461	3.354	10	20	DGCD	
Nc1ccc(CC(=O)Nc2nc3c(s2)CCCCC3)cc1	195182919	TZGZSELGRSMZCR-UHFFFAOYSA-N	301.415	3.175	10	20	DGCD	
Cn1cc([C@@H]2CSCCN2Cc2cc(Cl)ccc2O)cn1	191738002	VHRPJFWXRGEOPB-AWEZNQCLSA-N	323.849	3.069	10	20	DGCD	
C[C@H](C(=O)NCCc1ccc(N)cc1)c1ccc(Cl)s1	237430100	YIRDISOMQLUFKD-JTQLQIEISA-N	308.834	3.446	10	20	DGCD	
CCc1ccc([C@@H]2COCCN2Cc2cc(C)ccc2O)o1	93459459	NFYRDJADDRHGOJ-INIZCTEOSA-N	301.386	3.430	10	20	DGCD	
CCCN(CCc1cccc(F)c1)C(=O)Cc1ccc(N)cc1	237009870	AOOPSYKSFIVRGR-UHFFFAOYSA-N	314.404	3.432	10	20	DGCD	
CCOc1ccc(O)c(CN2CC[C@@H](CN3CCCCC3)C2)c1	93683801	ITGHMGFQCNJGEB-INIZCTEOSA-N	318.461	3.099	10	20	DGCD	
COc1cc(Br)cc(CNCC2CC=CC2)c1O	527751316	VSDYNVBPNFGVSE-UHFFFAOYSA-N	312.207	3.219	10	20	DGCD	
Cc1c(CNC(=O)N(C)Cc2cccnc2)n(C)c2ccccc12	350085371	SQZHIYHJICKKPN-UHFFFAOYSA-N	322.412	3.223	10	20	DGCD	
CSc1cncc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1	350827021	OCCZXPRNSOVDQC-UHFFFAOYSA-N	323.425	3.369	10	20	DGCD	
CNC(=O)c1cccc(CN[C@@H](C)c2ccc(C)c(C)c2O)c1	273402631	NPJHZYGISDTXMG-AWEZNQCLSA-N	312.413	3.219	10	20	DGCD	
CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1O	278369210	BYUNYPIBLQJQHP-DTWKUNHWSA-N	319.232	3.216	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](c3nccn3C)C2)cc1	377890932	ZFVBOWAFVDHUGH-KRWDZBQOSA-N	312.461	3.256	10	20	DGCD	
CC(C)c1nc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2O)n[nH]1	276851334	BCRCNFGYIYTVNG-IUCAKERBSA-N	310.348	3.324	10	20	DGCD	
CCOc1cccc(CN2CCOCC3(CCCC3)C2)c1O	373567473	ITSWTHRUAKKEGR-UHFFFAOYSA-N	305.418	3.184	10	20	DGCD	
C[C@H](NCc1cc(F)ccc1O)c1ccc([S@](C)=O)cc1	272421159	LZCQUHNYOGHGAQ-MQJDWESPSA-N	307.390	3.120	10	20	DGCD	
O=C(CC1(O)CCCC1)NCc1cc(Cl)cc(Cl)c1O	807838815	RKIRZSGEDCKSMP-UHFFFAOYSA-N	318.200	3.010	10	20	DGCD	
CCCc1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)no1	299101642	SDGVUUCLDWJXMB-UHFFFAOYSA-N	314.433	3.253	10	20	DGCD	
Fc1ccccc1N1CC[C@@H](NCc2ccc3c(c2)CCO3)C1	813792256	UILHTUXVPIGZNE-MRXNPFEDSA-N	312.388	3.129	10	20	DGCD	
Nc1ccc(CCNC(=O)CC[C@@H](N)CC2CCCCC2)cc1	818545265	TYVYMWKAVJDGKM-GOSISDBHSA-N	317.477	3.005	10	20	DGCD	
COc1ccccc1[C@@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817937984	AWYGRBUSDANTDC-KDOFPFPSSA-N	313.445	3.112	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H](C)C2(OC)CCOCC2)cc1	817589051	SYIZCEIYQXDILU-CVEARBPZSA-N	320.477	3.377	10	20	DGCD	
CC[C@@H](C)CONC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	813829202	GCYIOKWQYXLUHX-CQSZACIVSA-N	319.449	3.404	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)C(=O)N2CCCC[C@H]2C)cc1Cl	825191107	WAUDPNASUVRECJ-OLZOCXBDSA-N	324.852	3.233	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](NCc1cc(Cl)c(C)cc1O)C2	825096845	LCRDRQICAVLIKV-AWEZNQCLSA-N	317.820	3.100	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H](N3CCCC3)C[C@@H]2C)cc1Cl	825885141	DGAADLAAVHADHQ-DZGCQCFKSA-N	308.853	3.413	10	20	DGCD	
Cc1cc2c(cc1C)[C@H](C(=O)N[C@H](C)c1ccccc1O)CO2	827940618	GKCIWVMJMMZTRF-CZUORRHYSA-N	311.381	3.362	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C)c(C)c1O	734557788	JMVPURPDPMWDAZ-UHFFFAOYSA-N	312.413	3.313	10	20	DGCD	
Cc1nc2ccccc2nc1COC(=O)c1cc(O)cs1	732352958	AOPULBUHWQJAED-UHFFFAOYSA-N	300.339	3.062	10	20	DGCD	
CSC1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCC1	839921325	JIEZPNRRRLJGTQ-CQSZACIVSA-N	320.502	3.394	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC[C@@H]2C[C@H]12	837625060	HFGCDAIEIQMIKN-NJAFHUGGSA-N	313.445	3.275	10	20	DGCD	
CC[C@H](C)n1ncc(NC(=O)NCCc2ccc(N)cc2)c1C	841214447	KSMODFKLYMTPMN-LBPRGKRZSA-N	315.421	3.109	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1ccccc1O)C(=O)NCc1cccs1	842907926	IJPOVEKZYUSWRF-SWLSCSKDSA-N	318.442	3.199	10	20	DGCD	
Cc1cccc(CN[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1O	849349627	DKPQJBSIHMMCTM-QZTJIDSGSA-N	314.404	3.075	10	20	DGCD	
CC[C@H](N[C@@H](C)c1ccccc1O)C(=O)NCc1cccs1	842907927	IJPOVEKZYUSWRF-WFASDCNBSA-N	318.442	3.199	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1ccc(N)cc1)[C@@H]2C	843496127	ZVQGQBIRZJORLN-UONOGXRCSA-N	324.424	3.354	10	20	DGCD	
CC[C@@H](NCC(C)(C)C1(O)CCOCC1)c1ccc(C)cc1O	841761533	GGHAYOTWDZXQMR-MRXNPFEDSA-N	321.461	3.309	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)Cc2c(C)noc2C)c1O	846148398	YSTLKMXTLIOAQE-MNOVXSKESA-N	304.390	3.287	10	20	DGCD	
CO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	845125975	SNZOQXRBNXQXBL-IAOVAPTHSA-N	319.449	3.070	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC(c2ccncn2)CC1	840952962	CZWIYFBSWRANIE-UHFFFAOYSA-N	303.793	3.215	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCC(F)(F)C1	845004365	ZZMOHZREFAUVAU-UHFFFAOYSA-N	321.371	3.004	10	20	DGCD	
CCN(CC)c1ccc(CN(CC(=O)O)C2CCC2)cc1F	848639064	FKQTUZLUEHDSTM-UHFFFAOYSA-N	308.397	3.111	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)[C@@H]1C	841580832	LRUYVVRLWKMQER-BZUAXINKSA-N	313.445	3.249	10	20	DGCD	
COc1ccc(N(C)CCN(C)[C@@H](C)c2ncc(C)o2)cc1	844402427	XFTFOTZRBAXKGU-AWEZNQCLSA-N	303.406	3.121	10	20	DGCD	
CCOc1ccc(CNCc2nc3c(s2)CCC3)c(O)c1	922470027	KLALNCKFCAITTF-UHFFFAOYSA-N	304.415	3.026	10	20	DGCD	
CCCn1nc(C)c(/C=C2/SC(=S)N(CC)C2=O)c1C	759653665	QRQKLUYFDGYUPS-XYOKQWHBSA-N	309.460	3.131	10	20	DGCD	
COc1ncc(CN(C)c2ccc3c(c2)OCO3)cc1Cl	756654019	ANOUYGVVSKVWOZ-UHFFFAOYSA-N	306.749	3.109	10	20	DGCD	
CC(C)(C)Oc1cccc(COC(=O)c2cccc(O)c2O)n1	758559998	UKANXQKSSMMSLO-UHFFFAOYSA-N	317.341	3.027	10	20	DGCD	
COc1ccccc1[C@H](C)N(OC)C(=O)c1cc(O)cs1	855130603	KYRANEWBCWCLHD-JTQLQIEISA-N	307.371	3.227	10	20	DGCD	
Cc1noc(C)c1[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756570311	AMIYDXSZHNHNQK-BDAKNGLRSA-N	305.334	3.317	10	20	DGCD	
CC[C@H](NCC1CC2(C1)OCCO2)c1cc(Cl)ccc1O	927002696	XUUROTKKUSLESP-AWEZNQCLSA-N	311.809	3.239	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H]1CCC(=O)O1	852187274	NGCLYEWEEUAFAV-ZBFHGGJFSA-N	303.402	3.036	10	20	DGCD	
Cc1ccc([C@H](C)NCCCN2C[C@@H](C)O[C@H](C)C2)c(O)c1C	756365512	ASGZRZSYYAFZNM-INMHGKMJSA-N	320.477	3.159	10	20	DGCD	
CC[C@@H](NC[C@@H](C)CC1(C)OCCO1)c1ccc(F)cc1O	866427307	KAQTZHVDIZMTEK-SWLSCSKDSA-N	311.397	3.361	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccnc1C1CC1	935948933	STTKPALZDWCKKF-UHFFFAOYSA-N	317.385	3.080	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCCn1ccnc1	771924383	BWKRNOKBPHWGAB-UHFFFAOYSA-N	315.398	3.209	10	20	DGCD	
COc1ccc([C@@H](CN(C)C)NCc2ccc(C)cc2O)cc1	877508671	BSWLISYRYSZFJN-GOSISDBHSA-N	314.429	3.102	10	20	DGCD	
CCCOc1ccc(CN[C@H](CCO)C2CCOCC2)cc1C	873105946	CUBNEBCDIZEDTI-GOSISDBHSA-N	321.461	3.051	10	20	DGCD	
O=S(=O)(CC1CCC1)N(Cc1ccccc1O)C1CCCC1	771762429	POZASRNGZNMKAP-UHFFFAOYSA-N	323.458	3.267	10	20	DGCD	
CCC[C@@H](CC)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	873862690	QUHUQEJIAOVZMX-QGZVFWFLSA-N	318.461	3.308	10	20	DGCD	
C/C=C(/C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	770513261	MOVBQQVVCCAZEX-JYOAFUTRSA-N	305.333	3.367	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2nc[nH]c2c1)c1ccc(N(C)C)cc1	776270380	RQXDWWDAOIYGOG-GFCCVEGCSA-N	308.385	3.120	10	20	DGCD	
Cc1cccc2c1N(Cc1ccc(N3CCOCC3)cc1)CC2	775970829	GBYRUEZIISDHKM-UHFFFAOYSA-N	308.425	3.394	10	20	DGCD	
C[C@H](NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1	774252593	VLZPGRHKKQAGOK-GZIXRCOHSA-N	317.502	3.466	10	20	DGCD	
CCN(CC)c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1	789952556	CVLBYFFFNFYJNI-UHFFFAOYSA-N	318.348	3.335	10	20	DGCD	
Cc1ccc(C(=O)NCCc2ccc(F)cc2Cl)c(O)c1O	780937603	HAHAUUNETJBLSC-UHFFFAOYSA-N	323.751	3.171	10	20	DGCD	
C[C@H](NCCc1cnccn1)c1cccc(C(F)(F)F)c1O	788797281	KRBNLORSWSEQMC-JTQLQIEISA-N	311.307	3.094	10	20	DGCD	
C/C(=C/C(=O)N(CC(C)(C)C)c1ccccn1)c1cnccn1	891492110	FGTVHZYMBGQQHK-KAMYIIQDSA-N	310.401	3.354	10	20	DGCD	
COC(=O)[C@H](C)N(Cc1cc(Cl)cc(F)c1O)C1CCC1	792186653	PRNPIWDQHOISIN-VIFPVBQESA-N	315.772	3.101	10	20	DGCD	
CC[C@@H](NCCCN1CCCCC1=O)c1ccc(C)cc1O	794809910	RUOWIXPCXCOIEU-MRXNPFEDSA-N	304.434	3.144	10	20	DGCD	
CC[C@H](C)CC[C@@H](O)CC(=O)N[C@@H](C)c1cc(OC)ccc1O	793690336	VFFODAZFXTVHCQ-MELADBBJSA-N	323.433	3.155	10	20	DGCD	
CC[C@@H]1C[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O	798120617	OHGUOCIXHKJRRE-CZUORRHYSA-N	314.385	3.496	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@H]1CCN1Cc1ccccc1	716235285	BGEJHPKMUCADCY-OAHLLOKOSA-N	316.832	3.410	10	20	DGCD	
COc1ccc(CNC(=O)C[C@H](C)c2ccc(F)cc2)c(O)c1	794383899	SDBMPWGYDPOEEN-LBPRGKRZSA-N	317.360	3.350	10	20	DGCD	
COc1cc(Br)cc(CNC/C=C/C2CC2)c1O	1327869627	YRUVZOKHTNOEOB-NSCUHMNNSA-N	312.207	3.219	10	20	DGCD	
CC[C@@H](NCCc1nc(C(C)C)no1)c1ccc(F)cc1O	1327888922	GXQUKQHJFHAQJQ-CYBMUJFWSA-N	307.369	3.321	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](F)[C@H](F)C2)cc1	1326705740	BLGIZRFEVNXUAP-IYBDPMFKSA-N	304.340	3.226	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccn(CC)n2)cc1	1326362032	CSNQLYCDKPEGJV-UHFFFAOYSA-N	314.433	3.021	10	20	DGCD	
CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N)cc1	1336290597	PVTXBMSGOKLDLZ-GOSISDBHSA-N	311.429	3.432	10	20	DGCD	
CC[C@](CNCc1cc(C)ccc1O)(C(=O)O)c1ccccc1	1605040481	OWDWUHIMFDJWKP-LJQANCHMSA-N	313.397	3.223	10	20	DGCD	
C[C@@H](Cc1ccc(O)cc1)N[C@@H](C)c1cc(C(=O)O)ccc1O	1609755260	YTNCTARQIGXANQ-RYUDHWBXSA-N	315.369	3.078	10	20	DGCD	
COc1ccc(N(C)Cc2c(C)cc(-c3nn[nH]n3)cc2C)cc1	1591606413	CWDMZYCILJZMJA-UHFFFAOYSA-N	323.400	3.129	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@](C)(C(=O)O)C2CC2)cc1F	1776860707	BMBBVPMRNIIKCM-QGZVFWFLSA-N	308.397	3.015	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc3ccccc3[nH]2)c1	157847992	RBXGXWSPUXAVCS-NSHDSACASA-N	310.353	3.373	10	20	DGCD	
CCN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1O	159472254	NVGSUORZRZJHTO-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
Cc1cc(Br)cnc1NCCc1ccc(O)c(O)c1	811811175	OOLKMJQJQODODB-UHFFFAOYSA-N	323.190	3.218	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC(=O)NCc1ccccc1	324528117	YUGMOOZVIDSECN-ZBFHGGJFSA-N	324.424	3.155	10	20	DGCD	
Cc1cc(Br)cc(CN2CCC[C@@H](F)C2)c1O	689909020	ZVQBMHCYEHKUHG-GFCCVEGCSA-N	302.187	3.397	10	20	DGCD	
Oc1cc(Br)ccc1CN1CCC(F)(F)CC1	691677510	NQJVROIHAJZAAP-UHFFFAOYSA-N	306.150	3.386	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(F)ccc1Br	133770092	AHONPYXTJOFPGV-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N(C)Cc1ccccc1	27578388	QZFVUFMCOQMNNJ-UHFFFAOYSA-N	324.424	3.106	10	20	DGCD	
C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1O	179900680	OPQCLWPGUVMXGQ-VIFPVBQESA-N	324.302	3.099	10	20	DGCD	
CCOCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C	118150179	KIASRVKJARAEMX-UHFFFAOYSA-N	302.374	3.073	10	20	DGCD	
CCc1ccc(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1	173131002	KDFSGWPJLUFYGL-ZDUSSCGKSA-N	313.397	3.383	10	20	DGCD	
CCN(CC)C(=O)C1(NCc2cc(C)ccc2O)CCCCC1	76868660	KUBVYJULVGRTIA-UHFFFAOYSA-N	318.461	3.362	10	20	DGCD	
CCOc1cccc(CNCCc2ccc(OC)cc2)c1O	74314524	UOYQCCNFMFBWNU-UHFFFAOYSA-N	301.386	3.132	10	20	DGCD	
COc1cc(O)c(CNc2ccc(Cl)nc2C)cc1OC	193479703	DWARRIAMYCIWCK-UHFFFAOYSA-N	308.765	3.378	10	20	DGCD	
CCOc1cccc(CNCCCN2CCCC[C@@H]2C)c1O	236926918	RUIRVNCFWCHWHV-HNNXBMFYSA-N	306.450	3.145	10	20	DGCD	
CCCCNC(=O)[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	92710289	UYHHCGJTNCWEAQ-CYBMUJFWSA-N	324.852	3.174	10	20	DGCD	
Cc1c(CNC(=O)c2ccn(C(C)C)n2)n(C)c2ccccc12	348657078	BNIDTKHXNHRLES-UHFFFAOYSA-N	310.401	3.194	10	20	DGCD	
O=C(NCc1ccccc1O)NC[C@@H]1CCC2(CCCCC2)O1	276508989	CUQWVWXRQWUGBO-HNNXBMFYSA-N	318.417	3.073	10	20	DGCD	
C[C@H](COCC(F)(F)F)N[C@H](C)c1ccc(F)c(F)c1O	277003691	ZRLQQMIEFBPYIM-HTQZYQBOSA-N	313.266	3.288	10	20	DGCD	
Cn1cc(C(=O)N2CCCc3ccccc32)c(-c2cccnc2)n1	621084854	SKYQXQLIDMLWBT-UHFFFAOYSA-N	318.380	3.075	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCC(F)(F)C1	281895556	MIYHKFOURSTUMG-LBPRGKRZSA-N	324.371	3.304	10	20	DGCD	
Cc1cccc(CN(CCN(C)C)Cc2ccc(F)cc2)c1O	809736507	XVJRXDMWRZYNFQ-UHFFFAOYSA-N	316.420	3.404	10	20	DGCD	
CCCN(CCCN(C)C)Cc1cc(Cl)cc(OC)c1O	809754888	FOKZUWWJMKGRCR-UHFFFAOYSA-N	314.857	3.218	10	20	DGCD	
Cc1cc(CN2CCC([C@@H]3CCCO3)CC2)ccc1N(C)C	815100027	PFMDNDTUGBIVMZ-IBGZPJMESA-N	302.462	3.452	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)NOC3CCC3)ccc21	812790631	BIUCLZHEXXBAGI-UHFFFAOYSA-N	316.401	3.118	10	20	DGCD	
C[C@@H](NC[C@@H]1NCCc2ccccc21)c1ccc(N(C)C)cc1	817973358	DOBHJONLZKNNOC-QRWLVFNGSA-N	309.457	3.290	10	20	DGCD	
CCC/C(C)=C/C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819583101	SUUDJUQJZWHKAK-ASNKMWSDSA-N	316.445	3.384	10	20	DGCD	
O[C@@H](CNc1ccccc1OCCF)COc1ccc(F)cc1	819489406	UQYMKMFMBIWETE-AWEZNQCLSA-N	323.339	3.026	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(F)c[nH]1	815135050	HXSBUTULTFAPIN-UHFFFAOYSA-N	301.365	3.074	10	20	DGCD	
Oc1c(CN2CCS[C@@H]3COCC[C@@H]32)ccc2ccccc12	816520602	SVYIMJYLBLEAMR-DLBZAZTESA-N	315.438	3.252	10	20	DGCD	
Nc1ccc(CC(=O)NCc2cc3c(s2)CCCC3)cc1	827325769	GOBZDJVHQDYNNJ-UHFFFAOYSA-N	300.427	3.068	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](c3nccn3C)C2)cc1Cl	825928211	NUMXYOBARHXOBC-GFCCVEGCSA-N	305.809	3.077	10	20	DGCD	
CC(C)N1CC[C@@H](N(C)Cc2cc(Cl)cc(F)c2O)C1	825338636	RXNLVYDIQYSZJD-CYBMUJFWSA-N	300.805	3.099	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1nc(-c2ccccc2)cs1	726876647	ZJGKWBKWUJSTSM-POHAHGRESA-N	304.421	3.299	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2nnc(C)s2)cc1F	827805105	HGWFTKQKAVAHBZ-UHFFFAOYSA-N	322.453	3.464	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Cl	826048665	JSPBXGZXTCHCEB-NUEKZKHPSA-N	309.837	3.479	10	20	DGCD	
Fc1cccc(F)c1NNC(=S)Nc1ccc2c(c1)OCO2	735626483	PEQDZWAVSPQLMD-UHFFFAOYSA-N	323.324	3.007	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)nc1F	905447589	AOJOITCYKUGRMK-UHFFFAOYSA-N	321.783	3.212	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCOCC2CCCC2)c1	834910355	OJKVCKZRAWXPGB-CYBMUJFWSA-N	321.417	3.036	10	20	DGCD	
Cc1nn2c(CNc3ccc(N)cc3)c(C(C)C)nc2s1	841040153	KKNVKYOIMUBEQX-UHFFFAOYSA-N	301.419	3.417	10	20	DGCD	
CC(C)(C)CCCC(=O)N(CC(=O)O)Cc1ccccc1O	911487500	WJWOJIFMXWZWGG-UHFFFAOYSA-N	307.390	3.022	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](CN)C2CCCCC2)c1O	841039252	HDUDMZCUYDKKSB-CQSZACIVSA-N	312.841	3.051	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C)[C@H](CO)C2)cc1F	857061898	WIQPMBMSOPGPBK-HOCLYGCPSA-N	308.441	3.122	10	20	DGCD	
CCc1cccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1O	751388177	CPZDXTKWWZZUKH-LLVKDONJSA-N	315.369	3.160	10	20	DGCD	
Cc1ccc(O)c(CNCCn2nc(C(F)(F)F)cc2C)c1	922428574	IETUFLATWGKGHQ-UHFFFAOYSA-N	313.323	3.014	10	20	DGCD	
O=C(Nc1cc(Br)ccc1O)c1cc(O)cs1	754443127	YIWMYRRUUXNNRZ-UHFFFAOYSA-N	314.160	3.174	10	20	DGCD	
CC(C)[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)N1CCCC1	756397920	ANYLJJXAMUZNDC-BBRMVZONSA-N	321.421	3.071	10	20	DGCD	
CCO[C@@H]1CCC[C@H]1NCc1c(O)cccc1Br	858174289	QYGGAKRFSMXSMU-TZMCWYRMSA-N	314.223	3.202	10	20	DGCD	
Cc1cnc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)s1	868343317	OWSHNRQQKUMBOS-GHMZBOCLSA-N	305.403	3.279	10	20	DGCD	
CC[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N(C)C)cc1	760602660	NZBGZUBAGLVLBQ-GFCCVEGCSA-N	317.355	3.283	10	20	DGCD	
O=C(O)C[C@H](CNCc1ccc2c(c1)CCO2)C1CCCCC1	864521300	NVZHCNIEQFBXJP-QGZVFWFLSA-N	317.429	3.382	10	20	DGCD	
C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C(F)(F)F)O1	769495449	FTMWOYNESIEADB-UFBFGSQYSA-N	309.715	3.197	10	20	DGCD	
CCC[C@H](CCO)N[C@@H](C)c1cc(Br)ccc1O	866414649	JINAAGQFLUMLME-CMPLNLGQSA-N	316.239	3.356	10	20	DGCD	
CC[C@H](N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1ccccc1O	866464275	VEEULWQXBIKOCU-UBHSHLNASA-N	305.340	3.381	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C3CC3)C2)cc1	763480256	ZZQJJDRYRWVWKJ-KRWDZBQOSA-N	315.461	3.474	10	20	DGCD	
CCN(CC)c1ccc(CN2CCOC[C@H]2C2CC2)cc1F	769483690	AKPOJRHDKHTCAX-SFHVURJKSA-N	306.425	3.283	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CCn1c(C)csc1=O	766269421	KCQSDOOJWOXPFW-UHFFFAOYSA-N	318.442	3.070	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2cc(F)ccc2O)cc1	761222660	LCJMNRGKLUWQHK-UHFFFAOYSA-N	318.392	3.108	10	20	DGCD	
Cc1ccc(CN2CCC[C@H](CC(=O)OC(C)C)C2)c(O)c1	877377601	RISAZNDKQWHDBY-OAHLLOKOSA-N	305.418	3.254	10	20	DGCD	
COc1cc(Br)cc(CN2CC(C)(C)C2)c1O	877718183	YZZSPJQEMNXYLA-UHFFFAOYSA-N	300.196	3.005	10	20	DGCD	
CN(C)[C@@H](CNCc1c(O)cccc1Cl)c1ccsc1	775879512	PYRMAUVDHHRNDH-AWEZNQCLSA-N	310.850	3.500	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@H](OCc2ccccn2)C1	877645244	FRZGYXDBXWMHPX-INIZCTEOSA-N	318.804	3.232	10	20	DGCD	
CCCCc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)no1	775830724	MQPZCDKYAGURPY-ZDUSSCGKSA-N	302.422	3.329	10	20	DGCD	
COc1ccc(COC(=O)/C=C/c2ccc(O)c(O)c2)cc1F	772764376	FUXMKMBNFCICLU-QPJJXVBHSA-N	318.300	3.002	10	20	DGCD	
C[C@H](NC(=O)c1ccc2c(c1)CCN2C)c1ccc(N(C)C)cc1	779102407	XTMNBBCYJKMOCR-AWEZNQCLSA-N	323.440	3.236	10	20	DGCD	
CC(=O)Nc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)cs1	775833792	MHSOYWPXKDGJAX-LLVKDONJSA-N	318.446	3.018	10	20	DGCD	
OC1CCN(c2ccc(CNc3ccc(F)cc3)cc2)CC1	76275485	RMKUJGCEBMGKJR-UHFFFAOYSA-N	300.377	3.399	10	20	DGCD	
COc1ccc(CN2CCC[C@H]2c2cccnc2)c(O)c1OC	894449787	QBOHGWJWAXBULV-HNNXBMFYSA-N	314.385	3.142	10	20	DGCD	
CCOc1cccc(CNc2ccc3ccn(C)c(=O)c3c2)c1O	790637614	JLXZNFDPRHDWBK-UHFFFAOYSA-N	324.380	3.255	10	20	DGCD	
FC(F)c1ccnc(CNCc2ccc(N3CCCC3)cc2)n1	1324454282	IGHIDGRHPILVTR-UHFFFAOYSA-N	318.371	3.304	10	20	DGCD	
C[C@H]1[C@@H](C(=O)O)CCN1Cc1cc(-c2ccccc2)ccc1O	1609833673	LSQYKYHAYUGHEQ-GUYCJALGSA-N	311.381	3.354	10	20	DGCD	
C[C@@H](Cc1ccsc1)N(C)C(=O)NCCc1ccc(N)cc1	1576065371	CHRYICQEJITMFR-ZDUSSCGKSA-N	317.458	3.145	10	20	DGCD	
C[C@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1O)c1ccsc1	1589952364	NNQAIDJNEPMGTL-VHSXEESVSA-N	315.402	3.046	10	20	DGCD	
O=C(O)[C@@H](NCc1cccc(Cl)c1O)c1ccc(F)cc1	1594844561	VVYMWMKEAJSXKO-ZDUSSCGKSA-N	309.724	3.100	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CC(C)(C)C)C(=O)O)c(C)c1	1776857109	OMWMPDMEBGVINA-INIZCTEOSA-N	306.450	3.430	10	20	DGCD	
CCN1CCc2cc(CN[C@]3(C(=O)O)CCC(C)(C)C3)ccc21	1776877408	CJEFKWIJSKGHKT-LJQANCHMSA-N	316.445	3.192	10	20	DGCD	
CO[C@H]1CCN(Cc2cccc(Br)c2O)C[C@@H]1C	824814615	BVYWRTIMJRFLGC-GWCFXTLKSA-N	314.223	3.012	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](C3OCCO3)C2)cc1	179374507	SGQWENLXLXHHPV-QGZVFWFLSA-N	318.461	3.118	10	20	DGCD	
CCCCN(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65698325	ZFLJHTFNNCFEOV-OAHLLOKOSA-N	319.449	3.026	10	20	DGCD	
Cc1cc(C(=O)N(C)[C@@H](C)CN)c(C)n1-c1cccc(Cl)c1	179201545	GATONUJCYXMNAZ-LBPRGKRZSA-N	319.836	3.167	10	20	DGCD	
COCCn1cc(NCc2ccc(N3CCCCC3)cc2)cn1	122343592	JQFUIIMUHZLJBJ-UHFFFAOYSA-N	314.433	3.132	10	20	DGCD	
CC[C@H]1COCCN1Cc1cc(Br)cc(C)c1O	124553896	KJISWNQMXAFCGQ-ZDUSSCGKSA-N	314.223	3.074	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc(Br)cc1	37506358	QOANFSIATORWNJ-UHFFFAOYSA-N	320.186	3.427	10	20	DGCD	
CCOc1cccc(CN2CCc3c(cccc3OC)C2)c1O	180784625	JZEISEYITLSJDA-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
COc1cc(N(C)Cc2cc(O)cc(F)c2)cc(OC)c1OC	186410723	TXXWSRAJOWFFKH-UHFFFAOYSA-N	321.348	3.194	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)c2ccc(Cl)cc2)c1	182410324	YQIGUIKVXOLDKE-GTNSWQLSSA-N	321.804	3.438	10	20	DGCD	
CC[C@H]1CCCC[C@H]1OCC(=O)NCc1cccc(OC)c1O	184714790	URWJUNXSLMVQPC-DZGCQCFKSA-N	321.417	3.002	10	20	DGCD	
Cc1cc(F)cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	190979756	XFKXFYPPVLQOSH-NSHDSACASA-N	318.348	3.298	10	20	DGCD	
CCCN(Cc1ccc(OC)c(O)c1)c1ccc(CN)cc1	194979486	XGFZLTJVTKMIPH-UHFFFAOYSA-N	300.402	3.276	10	20	DGCD	
CCc1onc(C)c1NC(=O)N[C@@H](C)c1cc(OC)ccc1O	89418550	AYIJBFKOGOHRSS-VIFPVBQESA-N	319.361	3.142	10	20	DGCD	
C[C@H](O)C[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1	93482180	HOWHNLDGQNAIKW-LPHOPBHVSA-N	302.462	3.412	10	20	DGCD	
CCOc1ccc(O)c(CN(C)C2CCN(C(C)C)CC2)c1	271047559	SDTGHXKDKWSRRR-UHFFFAOYSA-N	306.450	3.096	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCCC[C@H](C)O)c1O	279222871	ZCPPEZBLFFJMQR-WDEREUQCSA-N	316.239	3.275	10	20	DGCD	
CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2O)n[nH]1	276851343	BCRCNFGYIYTVNG-RKDXNWHRSA-N	310.348	3.324	10	20	DGCD	
CC[C@H](N[C@H](CO)CCOC)c1cc(Cl)cc(Cl)c1O	286967831	IHYAUCCPKQEJGZ-GWCFXTLKSA-N	322.232	3.137	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](c3ccco3)C2)c1O	370169257	NMMFUEXIXGTQJW-GFCCVEGCSA-N	303.333	3.316	10	20	DGCD	
CSc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)co1	631563008	QFQKRKMVRUFVOX-UHFFFAOYSA-N	318.398	3.107	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc(OC(C)C)c(C(N)=O)c2)c1	280135757	CRCZDJCJLBWMAM-UHFFFAOYSA-N	314.385	3.199	10	20	DGCD	
C[C@@H]1[C@@H](N2CCCC2)CCN1Cc1c(O)ccc(Cl)c1F	809724115	DYZXHTPPQUKPCV-RISCZKNCSA-N	312.816	3.243	10	20	DGCD	
OC[C@H]1CCCN1Cc1ccc2c(c1)CCN2Cc1ccccc1	809543105	KVOUNWRUIAGYBI-HXUWFJFHSA-N	322.452	3.206	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	808094981	MPQWNQDYPQRNPC-IHRRRGAJSA-N	308.418	3.320	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1C[C@H]2CC[C@H]1C2	298610421	GSEKVHDHNFMPEX-YXWQFLTLSA-N	302.418	3.358	10	20	DGCD	
C[C@H](NC[C@@H](C)CN(C)C)c1ccc(Br)cc1O	293714122	PBZZJOZPAABSEJ-MNOVXSKESA-N	315.255	3.003	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CSC[C@H]1C	807477654	VRWPPKZJHOZGST-CJNGLKHVSA-N	321.490	3.036	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC1=NC[C@@H](C)S1	819767402	SYWWAOMICKKJNP-LLVKDONJSA-N	319.455	3.377	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	819165236	RAVNKIZFHNMDST-UKRRQHHQSA-N	316.401	3.125	10	20	DGCD	
Oc1ccc(CCNc2cncc(-c3cccs3)n2)cc1O	814858266	RFMHNINVUFTJQV-UHFFFAOYSA-N	313.382	3.271	10	20	DGCD	
CC[C@H](NCC1(N)CCC1)c1cc(Br)ccc1O	817965516	WJIRDBULUMACHD-LBPRGKRZSA-N	313.239	3.077	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3cccs3)C2)cc1	818220409	JWWRBEHVTWDQDL-AWEZNQCLSA-N	302.443	3.373	10	20	DGCD	
CCCN(CC)C[C@@H](C)NCc1cc(Cl)c(F)cc1O	816615659	BOZMZJUOCFAEGN-LLVKDONJSA-N	302.821	3.395	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)c3cccnc3)C2)cc1	818115864	CZULBNRESWDNJR-JKSUJKDBSA-N	311.429	3.267	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CC2(F)F)cc1F	817531574	RGHJCQDFNSFTPD-OAHLLOKOSA-N	314.351	3.333	10	20	DGCD	
CC[C@@H](N[C@H](C)C1(OC)CCOCC1)c1ccc(F)cc1O	817588845	RSNGNSFJZZAJNV-IUODEOHRSA-N	311.397	3.156	10	20	DGCD	
Oc1cc2c(cc1CN[C@H](c1cccs1)C1CC1)OCO2	725843939	HZQZAMJBMFMRSU-INIZCTEOSA-N	303.383	3.423	10	20	DGCD	
C[C@@H](NC(=O)CCC[C@H](O)c1ccccc1)c1ccccc1O	827952160	HYGLDDJMBZBXPX-PBHICJAKSA-N	313.397	3.473	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)c2ccccc2O)nn1[C@@H](C)C1CC1	827941894	ZKZWTIKCYXSIOD-OLZOCXBDSA-N	313.401	3.359	10	20	DGCD	
CC(C)Oc1cccc(C(=O)N[C@H](C)c2ccccc2O)n1	827940385	CRYMREDIRZYBQA-GFCCVEGCSA-N	300.358	3.065	10	20	DGCD	
COC(=O)c1cnc(SCc2ccccc2N(C)C)s1	829680535	ADDOKJSVPFTFEK-UHFFFAOYSA-N	308.428	3.288	10	20	DGCD	
CCN(C(=O)[C@@H](C)OC(=O)c1cc(O)cs1)c1ccccc1	732354560	VTPVKSYPDBDNAN-LLVKDONJSA-N	319.382	3.052	10	20	DGCD	
COCCOc1ccccc1CNCc1cc(C)ccc1O	733325365	KGZCDEMFZXLASY-UHFFFAOYSA-N	301.386	3.016	10	20	DGCD	
COc1cccc2sc(NC(=O)c3cc(O)cs3)nc12	731866172	RGGHTYPDEDUBEI-UHFFFAOYSA-N	306.368	3.324	10	20	DGCD	
CCN(CCn1cc(Cl)cn1)c1ccc(OC)c(OC)c1	838878206	PNDGUWOFGRGNHX-UHFFFAOYSA-N	309.797	3.080	10	20	DGCD	
CC(C)SCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	735517785	OJNTXZVBUZTGHO-OAHLLOKOSA-N	323.458	3.041	10	20	DGCD	
C[C@H](NC(=O)CCC1CCC1)c1ccc(N2CCOCC2)cc1	749357931	AETHULANCMRKQP-HNNXBMFYSA-N	316.445	3.281	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C(F)F)nc1	846875130	DODXZDOZHRDGNQ-UHFFFAOYSA-N	319.355	3.324	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC12CCSCC2	846475644	DLNAZAZYWPWUQC-LBPRGKRZSA-N	311.834	3.195	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ccccc1C(=O)N(C)C	841867916	QPVRASQSOVHOBL-UHFFFAOYSA-N	324.424	3.350	10	20	DGCD	
COCCOC[C@H](C)NCc1cc(-c2ccccc2)ccc1O	742377932	ZSBGYGNMQAZGKD-HNNXBMFYSA-N	315.413	3.200	10	20	DGCD	
C[C@H](NCC(C)(C)OCC1CC1)c1cc([N+](=O)[O-])ccc1O	840877411	WJOUFKWSBNTNBY-NSHDSACASA-N	308.378	3.156	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@@H](CN(C)CC3CC3)C2)c1	754735773	BJVSNLFNXFONRT-KRWDZBQOSA-N	302.462	3.173	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](CO)Cc2ccco2)c(O)c1C	756660724	ORAUSAWRCQRFOA-LSDHHAIUSA-N	303.402	3.104	10	20	DGCD	
COc1ccc(CNC[C@H](CO)Cc2ccc(F)cc2)cc1C	920181742	CPBGOWIONNDAIE-QGZVFWFLSA-N	317.404	3.084	10	20	DGCD	
C[C@H]1C[C@@H](N[C@H](C)Cc2cnccn2)c2c(O)ccc(F)c21	756495865	SQQSVZFFSGZCMC-MISXGVKJSA-N	301.365	3.090	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H]2c2cc(C)on2)c1O	754722857	FLPKHAWICBUEBN-OAHLLOKOSA-N	302.374	3.343	10	20	DGCD	
CN(C)c1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1	769934686	ULEJYFMBWHQYIA-UHFFFAOYSA-N	310.397	3.260	10	20	DGCD	
COC(=O)CCN(Cc1ccc(N2CCCCC2)cc1)C(C)C	769403243	BCNDAVHUXUKDSY-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
CCCCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	760921277	RAVFQEIGRLGPQL-UHFFFAOYSA-N	324.808	3.390	10	20	DGCD	
COCc1ccc([C@H]2CCCN2Cc2c(O)cccc2OC)o1	768541301	MSGHTUORWVEXII-OAHLLOKOSA-N	317.385	3.477	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C2CC2)[C@H](C)C(C)C)c1O	774822361	WDJQESLTMNCGFY-LLVKDONJSA-N	308.378	3.318	10	20	DGCD	
Cc1ccc2[nH]c(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2c1	773751010	ZEIWKRAHBVFEPB-GFCCVEGCSA-N	324.380	3.249	10	20	DGCD	
COCCN(CCc1ccccc1)Cc1cc(F)ccc1O	778995730	CODPXDANDBMCTJ-UHFFFAOYSA-N	303.377	3.222	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccc(C)o1	876047992	FCVNLWMOLLUUQO-UHFFFAOYSA-N	302.374	3.415	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC(CC(F)(F)F)CC2)cc1	1120677645	VCDKEHWATJWRNE-UHFFFAOYSA-N	315.339	3.143	10	20	DGCD	
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1	773001694	WNTYBHZCHZQQPG-LBPRGKRZSA-N	313.357	3.152	10	20	DGCD	
CCOc1ccc(CNc2cccc(-c3ncn(C)n3)c2)c(O)c1	775973962	VRHWFCWYVVKVNE-UHFFFAOYSA-N	324.384	3.199	10	20	DGCD	
Cc1nc([C@@H]2CCCCN2Cc2cc(F)cc(F)c2O)no1	893968650	JHBFRFBTDSSZIH-ZDUSSCGKSA-N	309.316	3.089	10	20	DGCD	
COc1cc(CN2Cc3ccccc3O[C@@H](C)C2)c(O)cc1C	793780840	MQJWRBNXNBWLLS-AWEZNQCLSA-N	313.397	3.492	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@H]2N(C)CCCC2(C)C)c1	790485069	IIKQOFIHOMOUDZ-QGZVFWFLSA-N	306.450	3.001	10	20	DGCD	
COc1ccc(CNC(=O)C[C@H](C)c2ccccc2F)c(O)c1	794379805	WRRNVDWAFYFRAP-LBPRGKRZSA-N	317.360	3.350	10	20	DGCD	
CC[C@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1O	796837323	WOFGEKQBNWATDA-HOCLYGCPSA-N	323.408	3.300	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCC(F)(F)C2)c1	797586977	OJFJRTZIXDJXBI-WDEREUQCSA-N	313.344	3.265	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCOC(C)(C)C1	1182025809	PSVCVOZZNMMXMN-MRXNPFEDSA-N	318.461	3.306	10	20	DGCD	
CN(Cc1ccccc1O)[C@@H](C(=O)O)c1ccccc1Cl	1598530631	OXRNCPTZEJNBFP-OAHLLOKOSA-N	305.761	3.303	10	20	DGCD	
COc1ccc(CN(C)Cc2cccc(OC)c2O)c(OC)c1	160836373	UPCAJCRASUPQPO-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(Cl)c1	6471391	ZJNARJSPRSPNDN-UHFFFAOYSA-N	306.749	3.115	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(CC1CC1)CC1CC1	115856136	CZCCRTYIKOIPFH-UHFFFAOYSA-N	315.461	3.393	10	20	DGCD	
COc1cccc(CNC(=O)Cc2c(C)[nH]c3ccccc23)c1O	105652094	HTXRHRFVQHVJIT-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
C[C@H]1CSCCN1Cc1cccc(Br)c1O	179664099	QTWWDVWLRNPXTH-VIFPVBQESA-N	302.237	3.092	10	20	DGCD	
Cc1cc(NC(=O)Cc2ccc(N)cc2)ccc1N1CCCC1	178672583	MTDBBAQMNJSKGA-UHFFFAOYSA-N	309.413	3.359	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCc1ccccn1	115280160	CRXOQXDLVJHZKQ-UHFFFAOYSA-N	311.429	3.095	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N(C)Cc1cc(OC)ccc1O	187993117	VUBOXXSUQRKYPN-QGZVFWFLSA-N	315.413	3.090	10	20	DGCD	
CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc(C)c(O)c1O	182824991	LBYYUVCEAFQYKR-ZIAGYGMSSA-N	321.417	3.072	10	20	DGCD	
CN1CCCc2cc(CNC(=O)/C=C/c3ccc(O)cc3)ccc21	183511561	JMZLLXMCUNYAFN-YRNVUSSQSA-N	322.408	3.104	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CC[C@H](CN2CCCC2)C1	191389763	IRKKYLMLLRCUKV-GFCCVEGCSA-N	312.816	3.102	10	20	DGCD	
CNCCc1ccccc1C(=O)N1CCCc2cc(OC)ccc21	325616608	RVNHTJMQKZBNDI-UHFFFAOYSA-N	324.424	3.050	10	20	DGCD	
C[C@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(F)cc1O	320568449	PPNKHFYNGVKUIH-LBPRGKRZSA-N	322.424	3.219	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCc2cscn2)cc1	195301244	LPTZOPOPDPPABK-UHFFFAOYSA-N	317.458	3.238	10	20	DGCD	
CCOCCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C	194117529	ADYLMKJKTFCKIU-UHFFFAOYSA-N	315.417	3.036	10	20	DGCD	
O=C(c1cccs1)N(Cc1ccccc1O)C[C@@H]1CCCO1	247903715	LIQZDPHJVNBJLQ-AWEZNQCLSA-N	317.410	3.275	10	20	DGCD	
COc1cccc(CNc2ccc(OCC(C)(C)O)cc2)c1O	269472557	OYVPRTRSNWWYJV-UHFFFAOYSA-N	317.385	3.163	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@@H](N3CCCCC3)C2)c1O	273706742	FHLPFJGBHYKCEP-OAHLLOKOSA-N	324.852	3.114	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H]2CCc3cccc(O)c32)C1	297867027	ULOIXQVABVBJRO-MBIULKOWSA-N	307.459	3.049	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)CCC=C2	803089764	IKVZNIVYEKQSQV-ZDUSSCGKSA-N	323.392	3.418	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CC[C@H]3C3CC3)cc2F)CC1	806133286	KUABYQHDDRENSP-FUHWJXTLSA-N	318.436	3.065	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H](C)C[C@@H](CO)C2)cc1F	817412341	IYJVKHKKRYYZIH-GDBMZVCRSA-N	308.441	3.122	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cnnc(-c2ccccc2)c1	810156787	UPPRJFHLCBMAHG-UHFFFAOYSA-N	319.364	3.121	10	20	DGCD	
CC(C)(CNC(=O)NCc1ccccc1O)c1ccccc1F	726251073	RFPMLNGJAAZBKX-UHFFFAOYSA-N	316.376	3.308	10	20	DGCD	
C[C@]1(CCNCc2cc3c(cc2O)OCO3)CC1(Cl)Cl	824970603	MBXNCFXQSDJENR-ZDUSSCGKSA-N	318.200	3.185	10	20	DGCD	
CC(C)c1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)cs1	726505277	WCTSVAXPEFRGNB-UHFFFAOYSA-N	321.421	3.402	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCNC(C)(C)C)cc1	727763115	TWWPPMHMOZTLGJ-UHFFFAOYSA-N	313.445	3.212	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCC[C@@H]2C[C@H]12	838777684	UJIJGPMZNVOTMZ-KMFMINBZSA-N	314.429	3.259	10	20	DGCD	
COCC1(CN[C@H](C)c2cc(C(=O)OC)ccc2O)CCCC1	834905085	FICVSZGXWLGBOG-CYBMUJFWSA-N	321.417	3.036	10	20	DGCD	
C[C@@H](CNC(=O)c1cc(O)cs1)Oc1cccc(Cl)c1	743718343	MPFVMMCJRDYUDN-VIFPVBQESA-N	311.790	3.304	10	20	DGCD	
CC[C@@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1C	745828750	VCCRAYAUWOVVQE-CZUORRHYSA-N	303.450	3.391	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)C[C@@]1(O)CCc2ccccc21	843422149	VDFSVIBIWGSFBF-SFHVURJKSA-N	317.816	3.311	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCCc3ccccc32)cc1	841615275	WTTWDHYPGLJCTJ-GOSISDBHSA-N	309.413	3.188	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H]2CCCN(CC(C)C)C2)c1O	846155974	JLEDUOVQPXTYOO-CVEARBPZSA-N	320.477	3.419	10	20	DGCD	
C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(Cl)cc1O	841752964	DGTCMOCQPXHQEQ-NCAQKEMTSA-N	319.788	3.191	10	20	DGCD	
CCn1cccc(CN[C@@H](C)c2ccc(Cl)cc2O)c1=O	841753104	SGBPPNYBIYPSOQ-NSHDSACASA-N	306.793	3.078	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCCC[C@H]2C2CC2)cc1	841045301	JRVQKYCZJGECGW-IPMKNSEASA-N	301.478	3.311	10	20	DGCD	
NCC[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	843112574	HVNHKEGGMFDGPB-QGZVFWFLSA-N	301.478	3.238	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCc1nc2c(s1)CCCC2	922699818	HZZQZOJOWDRACD-UHFFFAOYSA-N	310.369	3.296	10	20	DGCD	
CC1CCC(NCc2ccc(N3CCC(O)CC3)cc2)CC1	850405749	BZNLNPWQWFEDMW-UHFFFAOYSA-N	302.462	3.316	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCC2(C)Cc3ccccc3C2)c1	858338044	AQSPLPAXNJNJNG-UHFFFAOYSA-N	324.424	3.305	10	20	DGCD	
CCc1ncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1	929970751	KUUYIFGZUXJQDJ-HNNXBMFYSA-N	316.401	3.124	10	20	DGCD	
Cc1n[nH]cc1CCCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	756398433	GADXJZYNODZKHP-QMTHXVAHSA-N	303.381	3.334	10	20	DGCD	
C[C@H](O)C[C@@H](C)NCc1ccc(OCc2ccccc2)cc1O	753571778	XNDNPWROZYQONY-CABCVRRESA-N	315.413	3.220	10	20	DGCD	
C[C@H](NCCN1Cc2ccccc2C1)c1cc(F)ccc1O	756480570	RYUCTRATTYIORA-ZDUSSCGKSA-N	300.377	3.198	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2cccc(C)c2Cl)c1	754229857	ZEKFEGWPMXBMNI-UHFFFAOYSA-N	319.788	3.222	10	20	DGCD	
CC[C@@H](O)CCCN[C@H](C)c1cc(Br)ccc1O	756738798	LFZQOLLFSOBVSF-ZYHUDNBSSA-N	316.239	3.356	10	20	DGCD	
CC[C@H](NCCOCCF)c1ccc(C(F)(F)F)cc1O	853238603	MQHLMYKFVFZJPD-LBPRGKRZSA-N	309.303	3.438	10	20	DGCD	
C[C@@H](N[C@H]1C[C@@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1	866414540	HZVHEBPQDVLTBO-FMKPAKJESA-N	306.425	3.238	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccc(F)cc3C)CC2)cc1	768140477	PUOSNSKUDVAORO-UHFFFAOYSA-N	314.404	3.465	10	20	DGCD	
CCC[C@H](O)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	762431475	SRKNPSTZADSUDM-KRWDZBQOSA-N	314.429	3.293	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccc[nH]1	760875719	YLIUYTAUUPUVNT-CYBMUJFWSA-N	301.390	3.403	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(F)c(N(C)C)cc2F)cn1	862324676	SANMOBADKCVOPP-UHFFFAOYSA-N	321.371	3.066	10	20	DGCD	
FC(F)Oc1ccc(N2CCC[C@@H](NCc3ccon3)C2)cc1	873064393	WVVBZRBQHSRVTG-CYBMUJFWSA-N	323.343	3.035	10	20	DGCD	
Cc1ccc(CN(Cc2cc3c(cc2O)OCO3)C2CC2)o1	768257695	OJGRLBBKGUCXDA-UHFFFAOYSA-N	301.342	3.187	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@H](N)CC1	876874572	HGQWCFMXOBLINV-QAQDUYKDSA-N	317.477	3.007	10	20	DGCD	
C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(N(C)C)cc1	775411032	NQTAMRWADBWTHH-LLVKDONJSA-N	302.349	3.088	10	20	DGCD	
CCc1cccc(CN2CCc3ccc(NC(C)=O)cc3C2)c1O	877817990	VIMRRUIKJLJJPG-UHFFFAOYSA-N	324.424	3.471	10	20	DGCD	
COCCc1ncc(CN(C)Cc2ccc(N(C)C)cc2)s1	876511250	BXYXZXKTBFMDTL-UHFFFAOYSA-N	319.474	3.030	10	20	DGCD	
CCCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C[C@@H]1C	1044422696	TUSIWMKSYIDVGH-RDJZCZTQSA-N	318.461	3.273	10	20	DGCD	
CN(Cc1ccccc1)[C@@H]1CCN(Cc2cc(F)ccc2O)C1	779022905	KXNLGJACEULDON-GOSISDBHSA-N	314.404	3.238	10	20	DGCD	
COc1ccc(CNCCNC(=O)CC2(C)CCCC2)cc1C	1126650780	UITHAGXIMSRODP-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
CCC[C@@]1(COC)CCCN1Cc1ccc(OC)c(OC)c1O	894077891	WRJQTYCWKKOHRZ-SFHVURJKSA-N	323.433	3.191	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@H](C(C)C)N2CCOCC2)c(O)c1	788509757	ZRPNMYALFTVWBU-DLBZAZTESA-N	320.477	3.016	10	20	DGCD	
CCN(Cc1ccc(OC)c(OC)c1O)[C@H]1CCOC(C)(C)C1	894535827	OHQDVSSHOPLLJA-AWEZNQCLSA-N	323.433	3.189	10	20	DGCD	
Cc1ccc(C(=O)NCCCSc2ccccc2)c(O)c1O	780856486	XUUXGVFFLCMCMU-UHFFFAOYSA-N	317.410	3.318	10	20	DGCD	
C[C@H](N[C@H](CCO)Cc1ccccc1)c1ccc(F)cc1O	799729388	LILUGKGEVVGEHF-XJKSGUPXSA-N	303.377	3.176	10	20	DGCD	
C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1cc(F)ccc1O	1325356799	MRIKCGKOUAWXSH-LLVKDONJSA-N	302.349	3.122	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1scnc1Cl	1323420351	XCYOEXJOKXALCC-UHFFFAOYSA-N	315.141	3.238	10	20	DGCD	
CC[C@H](C)C[C@@H](CO)NCc1ccc(Br)cc1O	1327841260	OVQNUQKYIZEDDE-GWCFXTLKSA-N	316.239	3.041	10	20	DGCD	
CCCC[C@@](C)(NCc1cc(F)c(N(C)C)cc1F)C(=O)O	1776768744	CUWJNGCTORDMAW-MRXNPFEDSA-N	314.376	3.154	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ncnn3C)c2C)c1	162962960	WCFRQVIPMZTEPC-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)Cc2ccc([S@](C)=O)cc2)c1	164460962	LRBOCKOYFBKFDB-JOCHJYFZSA-N	317.454	3.378	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)CCSC)CC2)cc1	151087655	DJPPFBAJZCYUTI-CQSZACIVSA-N	308.491	3.395	10	20	DGCD	
CC[C@@H]1CO[C@@H](C)CN1Cc1c(O)cccc1Br	707146666	QDPJWOLCPRYMHV-WDEREUQCSA-N	314.223	3.154	10	20	DGCD	
C[C@@H]1COCCN1Cc1cc(Cl)cc(Br)c1O	708133491	KNWAVNRMQVAJPA-MRVPVSSYSA-N	320.614	3.029	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C2(c3cccc(F)c3)CC2)cc1	115009898	VMBOFAJJPMYAFV-UHFFFAOYSA-N	312.388	3.240	10	20	DGCD	
Oc1ccccc1CN(Cc1cscn1)C[C@H]1CCCO1	176799407	NUJUXTXEAMFPTN-OAHLLOKOSA-N	304.415	3.030	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccccc2F)c1	171720545	AFDQDXSKAZOPBM-LLVKDONJSA-N	318.348	3.100	10	20	DGCD	
COc1ccc(N2CCCN(Cc3ccccc3O)CC2)cc1	179562412	HQCGQPSPTBHREA-UHFFFAOYSA-N	312.413	3.113	10	20	DGCD	
CCc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1	186419285	ZWBOOTJFQFJZCO-SNVBAGLBSA-N	305.399	3.083	10	20	DGCD	
CC[C@H](COC)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	303759848	OECFCIQKMTYTFM-OAHLLOKOSA-N	318.392	3.388	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1cc2ccccc2o1	180801679	LNWYCDXFYWYJCY-SOFGYWHQSA-N	323.348	3.216	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCOC[C@H]1CCCO1	319812236	KTSCSRVAAOAEKE-BZUAXINKSA-N	319.445	3.424	10	20	DGCD	
Cc1nc([C@@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)no1	129059259	MRKCHTPONVGPJJ-CYBMUJFWSA-N	324.384	3.277	10	20	DGCD	
C[C@@H](NCCCOCCO)c1ccc(N2CCCCCC2)cc1	180238849	COKRNYNNAOXBBY-QGZVFWFLSA-N	320.477	3.117	10	20	DGCD	
C[C@H]1CN(CCCCN[C@@H](C)c2ccc(F)cc2O)C[C@H](C)O1	185206524	JIRXXPYDRIDXPU-KKUMJFAQSA-N	324.440	3.071	10	20	DGCD	
C[C@@H](N[C@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O	130305776	IWKJYHXPTOYBNS-DOMZBBRYSA-N	305.805	3.300	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccc(F)c2F)c1	88360172	AMFBECZIWYFNMW-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
CC[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(C)cc1O	279968036	CSDFFCAZALBKIV-INIZCTEOSA-N	313.401	3.432	10	20	DGCD	
CCCC[C@@H](NCc1ccc(N(CC)CC)c(F)c1)C(=O)O	277163674	DLBGMFPODSXJMV-OAHLLOKOSA-N	310.413	3.405	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1	277442278	OKIIOJJHGFIRRG-RYUDHWBXSA-N	318.421	3.273	10	20	DGCD	
CC[C@@H](N[C@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1O	287724847	OSZUXXUOGSQDHH-SMDDNHRTSA-N	310.825	3.096	10	20	DGCD	
CC(C)c1ncncc1C(=O)NCc1ccc(N2CCCC2)cc1	298916784	AEJOLCQGEUXPGV-UHFFFAOYSA-N	324.428	3.130	10	20	DGCD	
CCOc1ccc(CN(C)Cc2ccccc2N(C)C)c(O)c1	809788152	OJPDRECPIGQPOP-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)s1	802784218	LARPRTZIYKXDNB-UHFFFAOYSA-N	317.288	3.108	10	20	DGCD	
CCOc1ccc(O)c(CN(CC)CCCN2CCCC2)c1	809749866	LHPIWXSFTXOQLU-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC(F)(F)C1	819756076	QSDALWHQFHLTPT-NSHDSACASA-N	318.360	3.320	10	20	DGCD	
CCOc1ccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)c1	811510347	CWLZGXJRXRSPDZ-IRXDYDNUSA-N	305.418	3.180	10	20	DGCD	
CCCNCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	817963941	YVVOMGWWDTYHCO-HNNXBMFYSA-N	307.457	3.466	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCc3cccnc3CC2)cc1F	817575617	YUMZCEHYHRXPLP-INIZCTEOSA-N	313.420	3.324	10	20	DGCD	
Cc1cc(CN2CC[C@H](n3cc(Cl)cn3)C2)ccc1N(C)C	815117601	ADMDMEQBJWGDTO-INIZCTEOSA-N	318.852	3.358	10	20	DGCD	
COCCOc1ccccc1NC[C@@H](O)CCc1ccccc1	819427816	WMRMJVOUEWKDNB-KRWDZBQOSA-N	315.413	3.117	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCN(CC(F)(F)F)C2)cc1Cl	825173812	SJFGCLZNJSTLNT-LLVKDONJSA-N	322.758	3.080	10	20	DGCD	
CCC1(NCc2ccc(N3CCOCC3)c(F)c2)CCCC1	824650798	QVVIKUINAYUOPX-UHFFFAOYSA-N	306.425	3.475	10	20	DGCD	
COC(=O)c1cnc(SCc2ccc3c(c2)COC3)s1	829681479	XMGQXUYYNYZJQR-UHFFFAOYSA-N	307.396	3.252	10	20	DGCD	
CCN(CC)c1ccc(CNS(=O)(=O)C2CCCCC2)cc1	731216420	ZGUYPMSTRPUJKL-UHFFFAOYSA-N	324.490	3.285	10	20	DGCD	
COCC(COC)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	834893186	TZBXVWJWCRVAKK-QMMMGPOBSA-N	308.205	3.011	10	20	DGCD	
Cc1cc(Cl)ccc1OCC(=O)NCc1ccccc1O	748354057	VZRCCAYTZKZYDB-UHFFFAOYSA-N	305.761	3.049	10	20	DGCD	
N[C@@H](CNCc1ccc(N2CCCCC2)cc1)c1ccccc1	841038094	UGYVVHJCNVJNAH-FQEVSTJZSA-N	309.457	3.467	10	20	DGCD	
CCN(CC(=O)N[C@H](C)c1cccs1)c1ccc(OC)cc1	746109971	YJSSQQJAHRUQAZ-CYBMUJFWSA-N	318.442	3.460	10	20	DGCD	
Cc1ccc(CN(C)C(=O)NCCc2ccc(N)cc2)cc1C	841955873	QEQRMXLTZSFJSO-UHFFFAOYSA-N	311.429	3.270	10	20	DGCD	
CCc1cccc(CN[C@@H](C[S@](C)=O)c2ccccc2)c1O	848901460	SQBWVVFDTQBQFI-JTSKRJEESA-N	317.454	3.164	10	20	DGCD	
CCOc1ccc(CNc2ccccc2C[S@](C)=O)c(O)c1	843404009	OYKZVAPXSQUBLM-QFIPXVFZSA-N	319.426	3.282	10	20	DGCD	
Nc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1	841302371	VCPGVNPDZZSJPS-SFHVURJKSA-N	324.428	3.227	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC3(CCNC3)CC2)cc1F	843125828	ALQTZJCQSWMVOE-UHFFFAOYSA-N	319.468	3.247	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2c(C)coc2C)cc1	844857385	VKWZSUWQDXPIHK-UHFFFAOYSA-N	316.401	3.113	10	20	DGCD	
CN(Cc1cn2cc(Cl)ccc2n1)c1ccc2c(c1)OCO2	756653186	CUTCAHSUBUSMOI-UHFFFAOYSA-N	315.760	3.353	10	20	DGCD	
C/C(=C\C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1	920881630	JBLAZTJAUYJEPY-SZGUKTLCSA-N	314.429	3.057	10	20	DGCD	
CCn1nnc(C)c1CNCc1cc(C)n(-c2ccccc2)c1C	858294355	FXCINBLMLQCFLU-UHFFFAOYSA-N	323.444	3.304	10	20	DGCD	
COC(=O)CC1(NCc2ccc(N(C)C)c(F)c2)CCCCC1	756132561	QLQKKLDPHIIUAW-UHFFFAOYSA-N	322.424	3.247	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@@H](N3CCCCC3)C2)cc1F	862239185	YFVDGMXKVSMQRM-OAHLLOKOSA-N	323.431	3.091	10	20	DGCD	
CC(C)[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768449269	ZABGVBPIQVSICB-CXAGYDPISA-N	305.418	3.076	10	20	DGCD	
Cc1cccc(CO[C@@H](C)C(=O)N(C)Cc2ccccc2O)c1	866596929	KTFKDXACIAAIGG-HNNXBMFYSA-N	313.397	3.264	10	20	DGCD	
CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccc(OC)c(C)c1	1036477206	LAZFIZAFCCYHNO-RHSMWYFYSA-N	318.461	3.130	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2	760156354	FTVFRFCLOCEVOY-KZNAEPCWSA-N	300.446	3.108	10	20	DGCD	
C/C=C\C[C@@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	771611492	LVMVQOAZDBFRHG-CHYADLBTSA-N	312.413	3.151	10	20	DGCD	
Cc1ccc(CN[C@H]2CCCN(C3CCCCC3)C2=O)c(O)c1	877463512	DXPXVVLSNZMBQV-KRWDZBQOSA-N	316.445	3.114	10	20	DGCD	
Cc1ccc(CNC[C@H](CO)c2ccc(Cl)cc2)c(O)c1	877533513	QVMJFALXEZQXFZ-OAHLLOKOSA-N	305.805	3.220	10	20	DGCD	
CC[C@@H](C)[C@@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC	877179991	MILMPWWKOVJASG-MLGOLLRUSA-N	311.422	3.210	10	20	DGCD	
CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)on1	773002141	YDSIICRECOKDJV-LBPRGKRZSA-N	301.390	3.355	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C)o1	876048640	NIIOQSSWYULIES-UHFFFAOYSA-N	315.417	3.386	10	20	DGCD	
Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1	773202088	YSXIDIXTLRJEHP-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
Oc1c(Cl)cccc1CNCCN1CCc2ccccc21	776088602	MGBYRDMZOLNCDS-UHFFFAOYSA-N	302.805	3.198	10	20	DGCD	
COc1ccc(CNCC[C@H]2C[C@H](C)O[C@H](C)C2)c(O)c1OC	894277233	GOTDLWWPEBHMPG-BTTYYORXSA-N	323.433	3.093	10	20	DGCD	
CC[C@@H](NCc1n[nH]cc1Br)c1ccc(C)cc1O	794800348	CVHWMSMZKMPGJA-GFCCVEGCSA-N	324.222	3.427	10	20	DGCD	
CCc1nc(C)c(CN(C)c2cc(OC)c(OC)c(OC)c2)o1	794385349	PMONZXMRHKAGRY-UHFFFAOYSA-N	320.389	3.208	10	20	DGCD	
CCC(=O)N1CCCCC[C@H](NCc2ccc(OC)c(C)c2)C1	1088242789	GRESUBMFFDLATJ-KRWDZBQOSA-N	318.461	3.274	10	20	DGCD	
CC[C@H]1[C@@H](C)CCN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1320422154	BPIVKUYZBMAGMG-YJBOKZPZSA-N	319.468	3.198	10	20	DGCD	
C[C@H](Cc1cccs1)N[C@H](C)c1cc(C(=O)O)ccc1O	1592902825	ORKYNMDQICQBDR-GHMZBOCLSA-N	305.399	3.434	10	20	DGCD	
COCC[C@@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)c1ccco1	1599219143	WPBWLDHDZBGMPD-SMDDNHRTSA-N	319.357	3.112	10	20	DGCD	
COc1cc(N(C)CC2(O)CCC(C)CC2)cc(OC)c1OC	156255240	CKSWOGJQBZOWFG-UHFFFAOYSA-N	323.433	3.090	10	20	DGCD	
C[C@H](N)[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	63191304	JOHDIZRBJDHLHW-ZANVPECISA-N	303.233	3.401	10	20	DGCD	
CCO[C@@H]1CCCN(Cc2c(O)cccc2Br)C1	707145814	HPNQETCYJQMENT-LLVKDONJSA-N	314.223	3.156	10	20	DGCD	
CC(C)N(C(=O)CN(C)Cc1ccccc1O)c1ccccc1	109771205	BCRDALJAPQZJSZ-UHFFFAOYSA-N	312.413	3.266	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O	179879607	WVBLZSHYOPDSAR-UONOGXRCSA-N	320.433	3.442	10	20	DGCD	
CN(C)C(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1	66862474	ZEUFPBSYRSTBFT-UHFFFAOYSA-N	316.788	3.071	10	20	DGCD	
Cc1cnc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)o1	174732715	QMCXHCQBDWUTGS-UHFFFAOYSA-N	311.341	3.143	10	20	DGCD	
Oc1cc2c(cc1CN(CC1CCC1)CC(F)(F)F)OCO2	176146041	QWHKMONMDZLBAJ-UHFFFAOYSA-N	317.307	3.285	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H](OC(C)C)C2)c1O	404584945	SWKITOXGDODPJC-AWEZNQCLSA-N	313.825	3.444	10	20	DGCD	
CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1O	179579882	QNRWSJPBWRQUFD-UHFFFAOYSA-N	312.413	3.470	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@@H](C)c2cc(F)ccc2O)cc1	185027856	ORYZHWCYFMBVEM-LBPRGKRZSA-N	316.376	3.132	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCSC[C@@H]1c1ccccc1	185665312	STRYTUHOVFWNLO-CQSZACIVSA-N	315.394	3.028	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)CC1CCCC1	183488544	DRMJWRMBDCGDNN-OLZOCXBDSA-N	305.418	3.361	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CNc2ccccc21	325217871	NRUJUJSKHXSVPK-INIZCTEOSA-N	323.440	3.310	10	20	DGCD	
Cc1cc(C(=O)NC[C@@H](C)CN)c(C)n1-c1cccc(Cl)c1	237382965	KOVZFWHHTVJVGM-NSHDSACASA-N	319.836	3.072	10	20	DGCD	
CC[C@](C)(CNC(=O)NCc1c(C)c2ccccc2n1C)OC	454875399	NJNLXZJIQOATFH-GOSISDBHSA-N	317.433	3.101	10	20	DGCD	
CC[C@@H](NCc1ccc(N(C)C)nc1)c1ccc(N(C)C)cc1	268783643	UZZFSJWDYUHXLN-GOSISDBHSA-N	312.461	3.455	10	20	DGCD	
C[C@H](NCCc1ccc(Cl)nc1)c1cc([N+](=O)[O-])ccc1O	273572545	KYUSIXDCPWUIMT-JTQLQIEISA-N	321.764	3.242	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1Cl	803089454	ASYICOKEADFESM-MRVPVSSYSA-N	311.790	3.174	10	20	DGCD	
COCC[C@H]1CCC[C@@H]1NCc1ccc2c(c1)CCCN2C	800475565	YJWIVVXPSQNMAB-AEFFLSMTSA-N	302.462	3.364	10	20	DGCD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(Cc2cc(Cl)c(F)cc2O)[C@H]31	816608396	YNLJMRAVXWAFQH-FJFDNZNASA-N	311.784	3.040	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cccc(C(F)(F)F)c1O)CN(C)C	815627812	KEFQACVOZNQIIL-WDEREUQCSA-N	304.356	3.259	10	20	DGCD	
CC[C@@H](C)[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	817923524	LFCWLLCZTMMHKN-VXGBXAGGSA-N	317.458	3.481	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)s1	817939116	ZEZGXRIWUUKZNH-BBRMVZONSA-N	303.475	3.473	10	20	DGCD	
Oc1c(CNC2CCN(CC(F)F)CC2)ccc2ccccc12	816544693	PSRQIPDABOXYBP-UHFFFAOYSA-N	320.383	3.365	10	20	DGCD	
Cc1ccc(O)c(CN2CCCN3c4ccccc4C[C@H]3C2)c1	811513390	VHMVBAIUHKXYTK-SFHVURJKSA-N	308.425	3.338	10	20	DGCD	
O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(O)cs1	732267771	VHTNIWCWFBYFSK-AWEZNQCLSA-N	319.382	3.264	10	20	DGCD	
CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(Cl)c(Cl)c1O	903299172	GYNVZDROBVTCPX-GGZOMVNGSA-N	320.216	3.154	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@]1(O)CCCc3ccccc31)CC2	834576158	TUXFIKGISOMZGX-PXNSSMCTSA-N	309.409	3.193	10	20	DGCD	
C[C@H]1CC[C@](CNCc2cc(F)cc(F)c2O)(CC(=O)O)C1	903993493	RYFGPBDNEJZOLH-MGPLVRAMSA-N	313.344	3.041	10	20	DGCD	
C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCC1	837490742	KPAAOELBQMCWOS-WMLDXEAASA-N	317.429	3.336	10	20	DGCD	
COC1(C(F)(F)F)CCN(Cc2cc(C)ccc2O)CC1	841888703	NUQRUZLAMNWLEP-UHFFFAOYSA-N	303.324	3.244	10	20	DGCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc(-c2ccccc2)ccc1O	840834643	YULWXXZACISOCX-KRWDZBQOSA-N	310.397	3.288	10	20	DGCD	
CN1CCCc2cc(NC(=O)NCCc3ccc(N)cc3)ccc21	841083459	QHJSMNWFSAARSP-UHFFFAOYSA-N	324.428	3.015	10	20	DGCD	
COc1cccc([C@H](C)NCCN2CCc3ccccc32)c1O	846140962	BNUHRDWVBICSMZ-AWEZNQCLSA-N	312.413	3.114	10	20	DGCD	
CCO[C@@H](CC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	919996413	XVXNFDCQCBBHHA-KRWDZBQOSA-N	304.434	3.059	10	20	DGCD	
CC(C)[C@H](N[C@H](C)c1ccc(Cl)cc1O)C(=O)N1CCCC1	841750660	ZOHHYQZRISSXDS-WBMJQRKESA-N	324.852	3.343	10	20	DGCD	
CC[C@@H](C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	849359492	QZWSRXSGGBRVKB-LLVKDONJSA-N	324.808	3.246	10	20	DGCD	
CCC/C(C)=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1	920216010	JDXQCLLMNZYKLR-PFONDFGASA-N	302.418	3.090	10	20	DGCD	
c1ccc(-c2n[nH]c(CNCc3ccc4c(c3)CCCO4)n2)cc1	921738932	ILLWGSBSAXGLFR-UHFFFAOYSA-N	320.396	3.087	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H](C)CCCO)c1	757440677	ZAVWTFGYALEZNB-AWEZNQCLSA-N	314.429	3.293	10	20	DGCD	
CC[C@H](CCO)CNCc1cc(OC)cc(C(C)(C)C)c1O	850182601	ILPOZZLCUYCTDM-CYBMUJFWSA-N	309.450	3.197	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1cc2c(cc1O)CCCC2)C(F)(F)F	756835499	NJMZZDJXSVRUQT-BMIGLBTASA-N	317.351	3.499	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c1	756656085	SXLRIMVJIVJYFE-GOEBONIOSA-N	316.445	3.142	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC[C@H]2CCCN2C)cc1	767359217	GEFXFXQZFIXNRD-GOSISDBHSA-N	303.494	3.449	10	20	DGCD	
COc1cc(Br)cc(CN2C[C@@H](C)C[C@@H]2C)c1O	769471425	UHPUGHQVPKIPNE-UWVGGRQHSA-N	314.223	3.394	10	20	DGCD	
CC[C@H](C[C@H](C)CO)NC1CCN(c2ccc(OC)cc2)CC1	766360892	OVVCGHOXEUUICE-JKSUJKDBSA-N	320.477	3.051	10	20	DGCD	
Cc1cccc(O)c1CN1CCC(CO)(c2ccccc2)CC1	877548688	QZOAZVCHTJCOQP-UHFFFAOYSA-N	311.425	3.227	10	20	DGCD	
CN(C)CC1CCN(Cc2cc3c(cc2O)CCCC3)CC1	768444526	CDRZQDAKFAHVEW-UHFFFAOYSA-N	302.462	3.045	10	20	DGCD	
COc1ccc(O)c(CN2CCCO[C@H](c3ccccc3)C2)c1	775679247	SAODZERKRJDTOB-IBGZPJMESA-N	313.397	3.364	10	20	DGCD	
C[C@@H](NCC(=O)N(Cc1ccccc1)C1CC1)c1ccccc1O	879648726	AVFSRFOQBLUHCT-OAHLLOKOSA-N	324.424	3.234	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)Cc2c(O)cccc2OC)C12CCC2	770351758	KQPQYVYPOSCQHC-SJORKVTESA-N	305.418	3.180	10	20	DGCD	
Cc1c(NC(=O)NCc2ccccc2O)cnn1-c1ccccc1	772440387	ISZPVGRUIHZVJY-UHFFFAOYSA-N	322.368	3.208	10	20	DGCD	
Cc1nc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)[nH]c1C	886662273	AJUARRYJNDFYKC-UHFFFAOYSA-N	312.461	3.472	10	20	DGCD	
Cc1ncccc1CCNCc1cc(F)c(N(C)C)cc1F	898252070	XDQYYBLVXMQFGM-UHFFFAOYSA-N	305.372	3.067	10	20	DGCD	
CCC[C@](C)(CC)C(=O)NCCNCc1ccc(OC)c(C)c1	1135859155	LTLJLUUBZNRUIN-IBGZPJMESA-N	320.477	3.426	10	20	DGCD	
O=C(O)[C@H]1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)CC1	709959560	KFAXBHGLTRGYJP-JLIMDTESSA-N	318.200	3.432	10	20	DGCD	
CC[C@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1O	796819441	XNGJNFIXYZURFW-HOTGVXAUSA-N	307.340	3.445	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2c(Br)cnn2C)c1	693431369	MVHXDPQKQYCHOA-SNVBAGLBSA-N	324.222	3.047	10	20	DGCD	
Cc1cc(C(=O)Nc2cncc(F)c2)c(C)n1-c1ccccn1	799011771	BBIVPDZCLBIRGX-UHFFFAOYSA-N	310.332	3.276	10	20	DGCD	
CCCC(C)(C)C(=O)NCCCNCc1ccc(OC)c(C)c1	1165591038	IYJQKHVXZRWWHN-UHFFFAOYSA-N	320.477	3.426	10	20	DGCD	
C[C@@H](C[C@@H](O)c1ccco1)NCc1ccc(N2CCCC2)cc1	1319831335	VDFKPJOFJJTFEQ-MAUKXSAKSA-N	314.429	3.482	10	20	DGCD	
CN1CCN(c2ccc(CN[C@@]3(C)CC=CCC3)cc2F)CC1	1328219640	ILZABJCKORTLJO-IBGZPJMESA-N	317.452	3.166	10	20	DGCD	
CC[C@H](NCc1c(O)nnc(C)c1C)c1cc(Cl)ccc1O	1320533430	JHIWBPVXVMNYGW-AWEZNQCLSA-N	321.808	3.399	10	20	DGCD	
C[C@H](CC(=O)c1ccc(F)cc1)C(=O)Oc1ccc(N)cc1	1575923862	PGULHKGPOOGUTE-LLVKDONJSA-N	301.317	3.222	10	20	DGCD	
CC[C@H](NCc1ccc(N(C)C)c(F)c1)C1(C(=O)O)CCC1	1595300014	MNZKCBJLSGVERQ-HNNXBMFYSA-N	308.397	3.015	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)n2C)cc1Cl	1599584231	OMGJGPSRSHSJPG-UHFFFAOYSA-N	308.765	3.022	10	20	DGCD	
CC(C)(C)NC(=O)CCNCc1cc(Cl)cc(Cl)c1O	134591834	YSCMOMQWWOZIDU-UHFFFAOYSA-N	319.232	3.093	10	20	DGCD	
CC[C@H](NCCCOC[C@@H]1CCCO1)c1ccc(N(C)C)cc1	163499983	NQXQEAPVISPTDF-OALUTQOASA-N	320.477	3.379	10	20	DGCD	
CC[C@H](NCc1c(C)nn(C)c1C)c1ccc(N(C)C)cc1	151154823	SJKYLGUFWHXXIS-SFHVURJKSA-N	300.450	3.344	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3nncn3C)c2C)c1	156937113	PZQXRODAZZPUIA-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3CCCC3)cc2)CC1	108431364	HNLOAZGCONZFQM-UHFFFAOYSA-N	301.434	3.228	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc(C)cc2F)c1O	104975601	FGWYBANNUXCNSF-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cncc(OC(C)C)n1	302271312	HHJFHFFNPXDZKO-UHFFFAOYSA-N	300.406	3.250	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)NCC(F)F)c2C)cc1	174559073	AAJANQNLUYQAIF-UHFFFAOYSA-N	308.328	3.098	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(F)c(F)c1	173185169	DKYFRTXBEFMXFD-UHFFFAOYSA-N	318.323	3.070	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCSC[C@H]3C)c2c1	172515506	AUHMIQRJYZFNOY-GFCCVEGCSA-N	303.427	3.491	10	20	DGCD	
CCN(Cc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1	31726436	XFDIRBKDOPHRMV-UHFFFAOYSA-N	311.429	3.484	10	20	DGCD	
CN(C/C(Cl)=C/Cl)Cc1ccc(N2CCOCC2)cc1	121841773	TVGGXYMVLXNAQN-UVTDQMKNSA-N	315.244	3.274	10	20	DGCD	
C[C@H]1CCC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1	303034204	YBRAJDXEDPCICB-WMLDXEAASA-N	315.461	3.447	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1OC	128491526	IDGRFABPMLGGFB-UHFFFAOYSA-N	314.429	3.402	10	20	DGCD	
Nc1ccc(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	216271008	GBUKIRWXQUSKHH-NWDGAFQWSA-N	300.324	3.254	10	20	DGCD	
CCOC(=O)N1CCC([C@H](C)N[C@H](C)c2ccccc2O)CC1	187685768	LINNNGUVMCMTSS-UONOGXRCSA-N	320.433	3.300	10	20	DGCD	
CCN(CC)[C@H](CNCc1cc(OC)ccc1O)c1ccco1	181256130	AFELSSTZAVJPBQ-MRXNPFEDSA-N	318.417	3.167	10	20	DGCD	
COc1ccc(CN[C@@H]2COc3c(cccc3OC)C2)cc1C	237321578	FFFPPXPESLJGLK-INIZCTEOSA-N	313.397	3.106	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C(=O)O)C1	1594424415	SKZHSXZRMYMCEK-PELKAZGASA-N	318.200	3.384	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1	246867653	SOPIYSCLJJLXOC-GUYCJALGSA-N	320.864	3.494	10	20	DGCD	
CO[C@H](C)c1nc(CNCc2ccc(N(C)C)c(F)c2)cs1	267598878	DBUCYGHQZFFBCE-LLVKDONJSA-N	323.437	3.345	10	20	DGCD	
CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCO1	376803169	DXMYGNGLZKCAGS-RTBURBONSA-N	318.461	3.211	10	20	DGCD	
CC[C@@H](NCc1ncccc1N(C)C)c1ccc(N(C)C)cc1	289881785	RZOCGACWSIVFOM-QGZVFWFLSA-N	312.461	3.455	10	20	DGCD	
CC[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O	286002642	HPUCNSFUTCHBLS-DOTOQJQBSA-N	321.367	3.315	10	20	DGCD	
CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C)cc1O	285729122	QSJXPDKUSAVQJG-IIDMSEBBSA-N	318.461	3.435	10	20	DGCD	
CO[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1CC1	280786555	KRKCGASPXYUWHY-GOSISDBHSA-N	316.445	3.060	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN2CCC[C@@H](O)C2)cc1	294556253	LQRJQNCMUXPYHS-QGZVFWFLSA-N	316.470	3.341	10	20	DGCD	
CC(C)Oc1ccccc1CNC(=O)NCc1ccccc1O	299482762	HJZXIGUBYKAGMT-UHFFFAOYSA-N	314.385	3.179	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)CCCN)c(C)n1-c1ccc(F)cc1	295142465	BULWIQWPTNSKAL-LBPRGKRZSA-N	317.408	3.090	10	20	DGCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@@H]1CCCN1	817953270	YFJIBWMYPBAFSJ-PKOBYXMFSA-N	310.441	3.408	10	20	DGCD	
C[C@@H](CCCCN)N[C@@H](C)c1ccc(Br)cc1O	817976243	IRWSESSRMOUQMG-QWRGUYRKSA-N	315.255	3.323	10	20	DGCD	
CC[C@@H]1C[C@H](NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1	818221421	MEGJNXNJSZOEFG-LZLYRXPVSA-N	318.461	3.069	10	20	DGCD	
CC(C)CN(Cc1ccc(N(C)C)cc1)CC(C)(C)C(=O)O	901839983	BTKWEMJTHZHNFI-UHFFFAOYSA-N	306.450	3.321	10	20	DGCD	
Cc1cc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1	736600167	SEZVQOOPAOBMBB-OKHZJLECSA-N	323.502	3.339	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nc(C(F)F)no1	822583069	IHNANQKQBNGPNI-UHFFFAOYSA-N	324.375	3.484	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)cc1	731149670	DHWWYODVIPUNQP-UHFFFAOYSA-N	306.406	3.189	10	20	DGCD	
Oc1cccc2c1[C@H](Nc1cccc(N3CCOCC3)c1)CC2	834710033	PSWZMMXNCZTBGI-QGZVFWFLSA-N	310.397	3.328	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@H](C(=O)O)c1ccccc1	833694540	LSYUAIDQHRVMQW-AWEZNQCLSA-N	323.751	3.442	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NC[C@H]2CC2(C)C)C2CC2)cc1	732893086	OMQBYPYUXJBSEP-OAHLLOKOSA-N	315.461	3.473	10	20	DGCD	
CCOc1ccc(C(C)=O)cc1COC(=O)c1cc(O)cs1	732355017	ZXDRVEAKTWBOJE-UHFFFAOYSA-N	320.366	3.412	10	20	DGCD	
CCOCCC1(C(=O)NCc2cc(Cl)ccc2O)CCC1	846476297	NHLHBXTXTVQCOK-UHFFFAOYSA-N	311.809	3.259	10	20	DGCD	
CNCCC1CCN(Cc2cc(Cl)cc(F)c2O)CC1	843057927	ZFEZHACELXSIPE-UHFFFAOYSA-N	300.805	3.006	10	20	DGCD	
COc1ccc(C[C@@H](C)NCc2ccc(N(C)C)cc2C)cn1	840723017	MVJUPBGPPCVRHO-OAHLLOKOSA-N	313.445	3.185	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1nc(C)n2ccccc12	740745444	YLVZTGQTCFAPCI-UHFFFAOYSA-N	323.396	3.401	10	20	DGCD	
Cc1noc(-c2ccc(NCc3ccc(N(C)C)cc3C)cn2)n1	840886095	NOXVOKMCAPCAPJ-UHFFFAOYSA-N	323.400	3.427	10	20	DGCD	
CC(C)O[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	842612761	NRIXUAFFMPYMCJ-OAHLLOKOSA-N	307.434	3.395	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1ccnc(O)c1	926595623	JPYMENBQTLGVAU-HUUCEWRRSA-N	313.445	3.443	10	20	DGCD	
CCOc1ccc(CNCC2(O)CCC(C)(C)CC2)c(O)c1	850393477	CQKLRHYFQOZYNT-UHFFFAOYSA-N	307.434	3.212	10	20	DGCD	
COC(=O)c1ccc(Sc2ncc(C(C)(C)C)s2)nn1	853447090	QTIAOTAWZMVMCQ-UHFFFAOYSA-N	309.416	3.168	10	20	DGCD	
C[C@@H](NCCN1CCc2ccccc21)c1ccc(F)cc1O	756484331	TZWPYFPAAZLRNS-CYBMUJFWSA-N	300.377	3.245	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cnn(C(F)F)c2)cc1	864927616	WXDNXKXREGDNDX-UHFFFAOYSA-N	322.359	3.054	10	20	DGCD	
COc1cccc(CN2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)c1O	768913685	PGUJOTPLZKHFEI-INMHGKMJSA-N	318.461	3.238	10	20	DGCD	
CCOc1cccc(CN(C)c2ccc(OC)c(OC)c2)c1O	761220376	BJUSKIUJTBZZEJ-UHFFFAOYSA-N	317.385	3.445	10	20	DGCD	
CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)cc(F)c1O	768265336	CJNWGHCUQKMMMT-CQSZACIVSA-N	306.724	3.063	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H](c1cccc(F)c1)N(C)C	876884656	RAZZMBITJYOVMJ-KRWDZBQOSA-N	302.393	3.232	10	20	DGCD	
CC(C)Cn1cc(NC(=O)N[C@H](C)c2ccccc2O)cn1	878831912	MUHYTPNUDZYEFD-GFCCVEGCSA-N	302.378	3.127	10	20	DGCD	
Cc1ccc(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	775402586	HTWKLZFOUFQXOZ-CQSZACIVSA-N	310.397	3.121	10	20	DGCD	
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1	773994559	NRGZLXZPKWZIKY-LBPRGKRZSA-N	313.357	3.152	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cc(C)cnc2Cl)c1O	787457796	QZZAPUVIXPIDCU-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
CCc1ccccc1CC(=O)NCc1ccc(N(C)C)cc1C	785590669	SEGHCROXMQJQQM-UHFFFAOYSA-N	310.441	3.482	10	20	DGCD	
CCN(CCCN1CCCC1)Cc1cc(C)cc(OC)c1O	894776707	JVXWJETVEXQBGY-UHFFFAOYSA-N	306.450	3.017	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@H]2CCCC[C@H]2C)cc1C	1133058312	WNCLVRSSLNKRFD-PBHICJAKSA-N	318.461	3.036	10	20	DGCD	
CCSc1ccccc1C(=O)NCc1ccc(OC)cc1O	794383486	PKCMBPSRZAISTJ-UHFFFAOYSA-N	317.410	3.443	10	20	DGCD	
COc1ccc(CNC(=O)NCc2ccc(C)cc2C)c(O)c1	792827867	FYLZEEACMMFIHX-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
CCN1CCCC[C@@H]1CNCc1c(O)ccc(Cl)c1F	790961631	YROXXXSCMICZIP-LLVKDONJSA-N	300.805	3.149	10	20	DGCD	
COc1ccc(N(CCC(C)C)Cc2ccn(C)c(=O)c2)cc1	796503767	JOJZADMMNMSGHN-UHFFFAOYSA-N	314.429	3.447	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccncc1	1149880541	KGVBCJLFZVBIPB-DLBZAZTESA-N	310.397	3.330	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC2CCC1CC2	1324835811	PAAVBOQPMDXSJX-UHFFFAOYSA-N	301.434	3.145	10	20	DGCD	
Cc1csc(CCCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)n1	1325340125	NMJNSCPNBYTMBI-NSHDSACASA-N	321.402	3.349	10	20	DGCD	
CN(C)c1ccnc(CNCc2ccc(N3CCCC3)cc2)c1	1339895321	KCLUNCAAQNVIPD-UHFFFAOYSA-N	310.445	3.038	10	20	DGCD	
Cc1ccc(CNc2ccc(C3CC3)c(-c3nn[nH]n3)c2)c(O)c1	1605856283	KDXNGIBFGFCHHS-UHFFFAOYSA-N	321.384	3.370	10	20	DGCD	
Cc1cc(CN[C@H]2CC[C@H]3C[C@H]2CN3)c(C)n1-c1ccccc1	1579601738	YQTUKVNFSSKQDA-BJLQDIEVSA-N	309.457	3.324	10	20	DGCD	
COc1cc(C)cc(CNCCCCC2(C(=O)O)CCC2)c1O	1599393208	YWXSYFSZSHYZSA-UHFFFAOYSA-N	321.417	3.224	10	20	DGCD	
CC[C@@H](NCCCOCC1CCOCC1)c1ccccc1O	155961091	AMSDEUQNKPFTQV-QGZVFWFLSA-N	307.434	3.266	10	20	DGCD	
C[C@@H](N[C@@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1	159649560	JOPITBZAADKEMX-UKRRQHHQSA-N	324.465	3.209	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1SCCc2ccccc21	175504874	AMNNJDMOGHHZLY-QGZVFWFLSA-N	313.422	3.381	10	20	DGCD	
Cc1cc2ncn(C[C@@H](O)CSc3nccs3)c2cc1C	52914745	YNODFUUOPSCYME-GFCCVEGCSA-N	319.455	3.263	10	20	DGCD	
CC(=O)N(c1nc(CSc2nccs2)cs1)C1CC1	114631890	DTRUQTIBAAYHDR-UHFFFAOYSA-N	311.457	3.407	10	20	DGCD	
CC(C)C(=O)NCCN[C@@H](C)c1ccc(N2CCCCC2)cc1	178226066	WFQOFRHPDQVIKB-INIZCTEOSA-N	317.477	3.100	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ncc(Br)cn2)c1	67371997	XDBWGSCCYSWBKZ-MRVPVSSYSA-N	324.178	3.126	10	20	DGCD	
C[C@@H](NCc1ccnc(N2CCCC2)c1)c1cc(F)ccc1O	184973696	FBZVCIVSFVHPIN-CYBMUJFWSA-N	315.392	3.377	10	20	DGCD	
CC1CCC(NCc2ccc(N3CCOCC3)c(F)c2)CC1	66970312	LABIXAFDIXOFNQ-UHFFFAOYSA-N	306.425	3.331	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]2CCCC[C@H]21	180894804	NRCLHUWCRNHVPV-QSTFCLMHSA-N	301.386	3.292	10	20	DGCD	
COc1cc(CN(C)Cc2cc(Cl)ccc2O)ccc1O	125967760	WBZQPONBWZHUHY-UHFFFAOYSA-N	307.777	3.392	10	20	DGCD	
CCOc1ccccc1N(C)C(=O)c1ccc(C)c(O)c1O	182903901	UTVHTXHNNNPOOT-UHFFFAOYSA-N	301.342	3.082	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CC23CCCCC3)cc1	180031279	UAWPQSHAGWCXIX-INIZCTEOSA-N	301.434	3.275	10	20	DGCD	
CCOc1cccc(CNC[C@H](C)CN2CCCCC2)c1O	77290549	GPBZUJYQCPROFW-HNNXBMFYSA-N	306.450	3.003	10	20	DGCD	
C[C@H](Cc1cccs1)NC(=O)N(C)Cc1ccccc1O	79414094	DCJOVBRRNXEYDD-GFCCVEGCSA-N	304.415	3.226	10	20	DGCD	
CC(C)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1	122809952	RQTCJAXBSNJDTC-UHFFFAOYSA-N	313.397	3.269	10	20	DGCD	
CCN(CC)c1ccc(CNc2nnc([C@@H]3CCCO3)o2)cc1	181802707	VCFVRUIOTYCCBD-HNNXBMFYSA-N	316.405	3.379	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(C(C)(C)O)cc2)c1	186618570	QODBDPBSGBQXJJ-CYBMUJFWSA-N	315.413	3.479	10	20	DGCD	
CC(C)N(C)c1ccc(CNCc2ccc(N(C)C)cc2)cn1	190698328	BPILSVYTMWYCAJ-UHFFFAOYSA-N	312.461	3.282	10	20	DGCD	
C[C@@H](NCCN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1O	185313834	OPUOZQOBXKWVCI-LLVKDONJSA-N	312.385	3.049	10	20	DGCD	
CC(C)[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CS1	277110387	HYXLSVFRKWYMLC-SJLPKXTDSA-N	320.502	3.143	10	20	DGCD	
Cc1ccc([C@H](C)NCCCN2CCCO[C@@H](C)C2)c(O)c1C	278778204	YECNSVDHBIZTHE-RDJZCZTQSA-N	320.477	3.161	10	20	DGCD	
CC[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(C)cc1O	377580361	BPLNGMKORGTFRJ-TXPKVOOTSA-N	313.397	3.236	10	20	DGCD	
COc1ccc(CN(C)c2ccc3c(c2)OCO3)c(C)c1OC	809636805	FTMDDJLONUPCAW-UHFFFAOYSA-N	315.369	3.377	10	20	DGCD	
C[C@H](CC(C)(C)O)N[C@H](C)c1cc(Br)ccc1O	296421347	LJUOFTDGRIEKLB-NXEZZACHSA-N	316.239	3.355	10	20	DGCD	
COc1cc(C(=O)NCc2ccccc2O)ccc1OC(C)C	299600199	VJQPFTVCUHRNPP-UHFFFAOYSA-N	315.369	3.118	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H](N3CCCC3)[C@@H]2C)cc1	815118161	LALUBYPZQTYZKZ-LPHOPBHVSA-N	301.478	3.201	10	20	DGCD	
CCC[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819583703	ZCINYRDAAXMHTA-HUUCEWRRSA-N	304.434	3.074	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc3c(c2)CNC3)c2c(O)ccc(F)c21	817968546	LIKUULRVQGKKFO-ZBEGNZNMSA-N	312.388	3.473	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1	817938565	NGKWQHKPIXQQLN-KZULUSFZSA-N	319.399	3.381	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@]2(O)CCC[C@@H]2C)cc1F	815159300	PXOFOTGSFIZENF-KSSFIOAISA-N	308.441	3.313	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CC[C@@H](N2CCCCC2)C1	816503612	FMROMRPKADGELF-CYBMUJFWSA-N	312.816	3.245	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3cncc(Cl)n3)C2)cc1	819935511	MVRPVUUYYLATRF-GFCCVEGCSA-N	318.808	3.077	10	20	DGCD	
CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc2ccccc2c1O	816568531	JDNRCHWPIFPWSQ-STQMWFEESA-N	301.386	3.223	10	20	DGCD	
Oc1ccc(F)c(CNCCCSc2nccs2)c1F	816553163	LGCDITBSUKTKFQ-UHFFFAOYSA-N	316.398	3.399	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccc(C)cn1	827882042	PFFCVKIUJLAJIK-UHFFFAOYSA-N	313.401	3.217	10	20	DGCD	
CC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	821682249	YDHKCUXQILFFRE-OAHLLOKOSA-N	316.426	3.410	10	20	DGCD	
C/C(=C/C(=O)N1CC2(CCC2)c2c(F)cccc21)c1cnccn1	825589007	RMUJDSFSMFDWPS-RAXLEYEMSA-N	323.371	3.488	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1C[C@H](C2CC2)[C@H]1C1CC1	824940917	FQKSRBFYTKDPEL-WOJBJXKFSA-N	312.457	3.144	10	20	DGCD	
COc1ccc(CN[C@H](CO)c2c(F)cccc2F)cc1C	734847781	UNKZWPJICREKME-OAHLLOKOSA-N	307.340	3.105	10	20	DGCD	
CN(C)c1ccc(CNCc2ccnc(Cl)c2F)cc1F	823736717	LMNCDVBGIRASOA-UHFFFAOYSA-N	311.763	3.369	10	20	DGCD	
Cc1cc(C(=O)O[C@H]2CCOC[C@@H]2C)c(C)n1-c1ccccn1	835782194	ITRFMEJFZBFISH-LRDDRELGSA-N	314.385	3.071	10	20	DGCD	
Cc1cc(C)cc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	831924708	LTKDWSWFOLRUIB-AWEZNQCLSA-N	313.397	3.005	10	20	DGCD	
CCC1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CCCCC1	832283772	BKDWMGYQFXJMKH-KRWDZBQOSA-N	317.477	3.229	10	20	DGCD	
C[C@@]1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC=CCC1	838486770	RZHVURJYVKLTSL-LJQANCHMSA-N	311.429	3.361	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cn(C(C)C)nc2C)c1	845972672	SKHWQVYDCBMCBY-CYBMUJFWSA-N	303.406	3.337	10	20	DGCD	
CCc1c(C(=O)NCc2ccccc2O)cnn1-c1ccccc1	748346658	RJQOIJQATONRJD-UHFFFAOYSA-N	321.380	3.070	10	20	DGCD	
C[C@@H](c1cccs1)N(C)C(=O)NCCc1ccc(N)cc1	841962796	STLWVHSMBDGAOP-LBPRGKRZSA-N	303.431	3.275	10	20	DGCD	
Cc1cc(C(=O)NN2CCCC[C@H]2C)c(C)n1-c1ccccn1	912154582	LHXHJHFACHTMHF-CYBMUJFWSA-N	312.417	3.008	10	20	DGCD	
Cc1ccncc1[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O	845089777	RAQNGJWZAWHIST-LLVKDONJSA-N	319.792	3.309	10	20	DGCD	
CC[C@@H](C[C@H](C)CO)NCc1cccc(Br)c1O	743499197	JJMGGZFPIOEQIX-JQWIXIFHSA-N	316.239	3.041	10	20	DGCD	
Fc1cccnc1CNC(=S)Nc1ccc2c(c1)CCC2	752766528	NYMICUIHKQZLIU-UHFFFAOYSA-N	301.390	3.196	10	20	DGCD	
CCOc1cccc(CNCC2CCN(CC3CC3)CC2)c1O	850420558	PGMQTWXQIGQEOE-UHFFFAOYSA-N	318.461	3.003	10	20	DGCD	
COc1ccc(N(C)CCN(C)c2ccccc2)cc1OC	754641278	RQLPOHVRYJBNGI-UHFFFAOYSA-N	300.402	3.276	10	20	DGCD	
C[C@@H](NC(=O)N1C[C@@H]2CCCC[C@@H]21)c1ccc(N(C)C)cc1	854004158	OSEGTJRWWUDYQZ-KMFMINBZSA-N	301.434	3.398	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1Cl	757857931	TWCNBIWBIAXIMX-CHWSQXEVSA-N	324.852	3.289	10	20	DGCD	
C[C@@H]1C[C@H](NCCC2CCN(C)CC2)c2c(O)ccc(F)c21	756546838	SHIRRNZRLKLTCP-DOMZBBRYSA-N	306.425	3.401	10	20	DGCD	
CCOc1ccc(N(CC)Cc2cn(C(C)(C)C)nn2)cc1	851828737	BTQFNQDBWUTDES-UHFFFAOYSA-N	302.422	3.458	10	20	DGCD	
CCOc1ccc(NC(=S)NCc2ncccc2F)cc1	752766310	KMPWHILEJMJVQW-UHFFFAOYSA-N	305.378	3.106	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC1CCN(C(C)(C)C)CC1	766029458	KRAHSJNGVRQXNC-UHFFFAOYSA-N	303.494	3.414	10	20	DGCD	
COC[C@H](CC(C)C)NCc1cccc(Br)c1O	775145042	HNSURLBRGLSSTC-LBPRGKRZSA-N	316.239	3.305	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](C)c2ccc(F)cc2F)c(O)c1	1116872263	ZNZIPHYOTXRWKM-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2cc(C)ccc2O)C1	776806068	BPAMQSHTLTYZQH-LSDHHAIUSA-N	320.433	3.047	10	20	DGCD	
CC(=O)CCCC(=O)NCc1ccc(N2CCCCC2)cc1	772520049	VSSJEKHPWRFWLP-UHFFFAOYSA-N	302.418	3.052	10	20	DGCD	
CN1CCN(c2ccc(CN(C)c3ccccc3)cc2F)CC1	1116448594	DDJFCSFYPKTHFK-UHFFFAOYSA-N	313.420	3.214	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](CC(C)C)C2)c1O	774887191	PJFYKMJHDUWALH-LBPRGKRZSA-N	308.378	3.177	10	20	DGCD	
COc1cc(O)c(CNCc2coc3ccccc23)cc1OC	776174498	BVRHRRCHZVXDOQ-UHFFFAOYSA-N	313.353	3.445	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@]2(C)CCO[C@@H]2C)cc1	784243208	WACDAYVWMDUHJY-DNVCBOLYSA-N	312.413	3.391	10	20	DGCD	
COc1cc(C)cc(CNCC(C)(C)c2cccnc2)c1O	895015800	YYPSZDSWMCIDHR-UHFFFAOYSA-N	300.402	3.172	10	20	DGCD	
CCOC(=O)CCN(Cc1c(O)ccc(Cl)c1F)C1CC1	792165333	PBPNKDVZXUDXIB-UHFFFAOYSA-N	315.772	3.102	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCOC[C@@H]1c1ccccc1	894064322	IRAFKLJUFVYTMP-MRXNPFEDSA-N	305.324	3.244	10	20	DGCD	
Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(O)c1O	790716032	GQNCFIROQLNCLN-HNNXBMFYSA-N	311.381	3.254	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1	795063294	BYENFSUDGKSDNM-AWEZNQCLSA-N	316.367	3.294	10	20	DGCD	
OCCC1(CNCc2c(O)ccc(Cl)c2F)CCCC1	790971912	YZPWZMBGENEKPZ-UHFFFAOYSA-N	301.789	3.217	10	20	DGCD	
COc1ccc(O)c(CNCc2ccnn2-c2ccccc2C)c1	792985322	YBMCDNLLUGYFKD-UHFFFAOYSA-N	323.396	3.185	10	20	DGCD	
CC[C@@H](NCc1c(Br)cnn1C)c1ccccc1O	693430658	IOFXISSBYRUJKG-GFCCVEGCSA-N	324.222	3.129	10	20	DGCD	
COc1cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c(O)cc1C	1323286013	OUAYBWVMIGJDMF-UHFFFAOYSA-N	314.341	3.133	10	20	DGCD	
COC(=O)[C@@H]1CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1	1170503324	KHCFRTJZVPRWTF-SJORKVTESA-N	316.445	3.108	10	20	DGCD	
C[C@@H]1CN(c2nnc(-c3sccc3O)n2CC2CC2)C[C@@H]1C	1520580898	MWTAERFUSHVVKA-PHIMTYICSA-N	318.446	3.214	10	20	DGCD	
O=C(O)CC[C@@H](NCc1ccc(F)c(F)c1O)c1ccccc1	1601972994	SMKAUABEVGRENU-CQSZACIVSA-N	321.323	3.366	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)[C@@H](Cc2ccccc2)C(=O)O)c1	1600464647	HIGUMJXUHQMHIJ-RHSMWYFYSA-N	313.397	3.122	10	20	DGCD	
CC[C@@](C)(NCc1ccc(N2CCCCC2)c(C)c1)C(=O)O	1594852420	KZLPMBPXEVHKDV-GOSISDBHSA-N	304.434	3.328	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2cccc(C(=O)O)n2)cc1	1776359157	MYBPLYVXCSFTOT-UHFFFAOYSA-N	300.358	3.203	10	20	DGCD	
COc1cccc(CNC(=O)CCCSC(C)(C)C)c1O	160728737	PTSAMKUAKIWLNA-UHFFFAOYSA-N	311.447	3.329	10	20	DGCD	
Cc1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1F	151325249	PQHZOJRAPQXDHB-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C	152985179	GXDMVKNVTWHCNE-ZDUSSCGKSA-N	314.385	3.467	10	20	DGCD	
Cc1ccc2ncc(CN(C)Cc3ccc(N(C)C)cc3)n2c1	156472137	YZVAYIJOPXUIGK-UHFFFAOYSA-N	308.429	3.341	10	20	DGCD	
Cc1ccc(C(C)(C)C(=O)NCCc2ccc(O)c(O)c2)cc1	156598496	NGBYWFFTWHYPFM-UHFFFAOYSA-N	313.397	3.043	10	20	DGCD	
CO[C@H]1CCN(Cc2ccc(Br)cc2O)[C@H](C)C1	701177179	WVAPNVQTXUFZAE-MFKMUULPSA-N	314.223	3.154	10	20	DGCD	
CCOCC(C)(C)NCc1c(O)cccc1Br	706822197	XQGIXAWAZHENRV-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
C[C@@H](NCc1ccc(Br)cc1O)[C@H]1CCCOC1	691487991	JQYCZHBJKQUJPL-PWSUYJOCSA-N	314.223	3.059	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(F)c2)c1	103509358	NRGXAHVYHBARHI-LLVKDONJSA-N	318.348	3.100	10	20	DGCD	
C[C@H]1CN(c2ccc(CNc3ccccn3)cc2F)C[C@H](C)O1	52457074	HNYKDXBOFGFTHW-KBPBESRZSA-N	315.392	3.446	10	20	DGCD	
COc1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)c(O)c1	54683034	RRSMONZHNLBBGF-HNNXBMFYSA-N	318.760	3.251	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)C[C@@H]2CCCN(C)C2)c1O	177184618	JLMNIAOAVIZNQM-CYBMUJFWSA-N	324.852	3.022	10	20	DGCD	
C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Br)cc1O	185460456	IOFRPKJOJZYGDP-FUPATZSFSA-N	312.207	3.125	10	20	DGCD	
CCc1ccc([C@H]2COCCN2Cc2cccc(C)c2O)o1	180289375	YZZHKDLCFIHFMH-MRXNPFEDSA-N	301.386	3.430	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCOc2ccccc21	76841543	PQQRAOUCVAMFKI-GOSISDBHSA-N	324.424	3.277	10	20	DGCD	
COc1ccc(-c2n[nH]cc2CN(C)Cc2ccccc2O)cc1	91974685	JGOWTRFAGCLJIJ-UHFFFAOYSA-N	323.396	3.423	10	20	DGCD	
Cc1cc([C@@](C)(O)CNCc2cc(C)c(C)cc2O)c(C)o1	266137666	GEMKCHPUFVLXCZ-SFHVURJKSA-N	303.402	3.216	10	20	DGCD	
CCCn1ncnc1CN1CCCc2cc(OC(F)F)ccc21	365313565	JTBJCUZNZDXZCA-UHFFFAOYSA-N	322.359	3.242	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2cccc(-n3cncn3)c2)c(O)c1	363870181	VZAMCFUWPHTVRF-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
COc1cc(Cl)cc(CNC2(C3CC3)CCOCC2)c1O	376390042	YZSQSEJLXUIFEA-UHFFFAOYSA-N	311.809	3.103	10	20	DGCD	
Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1	278916134	JYXHWADYQHVJAZ-UKRRQHHQSA-N	311.381	3.424	10	20	DGCD	
Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cccc(O)c1O	373703870	YHFFSTFURXLADL-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(NC(N)=O)cc1	297581032	HCXLWMASWJBAHC-IAQYHMDHSA-N	311.385	3.221	10	20	DGCD	
C[C@@H](CCO)CCN[C@H](C)c1ccc(Br)cc1O	296631607	BKGKROMZOPLFJZ-GHMZBOCLSA-N	316.239	3.214	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC4(CCC4)CC3)cc2)CC1	809707356	VRYLRDZGEFLSHY-UHFFFAOYSA-N	313.489	3.205	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCOC[C@H]2CCCO2)c1O	808695044	DTJVQXRVVWZUDU-GXTWGEPZSA-N	313.825	3.200	10	20	DGCD	
COC[C@H](N[C@H](C)c1cc(Cl)cc(C)c1O)[C@H]1CCCO1	808715492	GWRHXEQGHZJMGA-BYCMXARLSA-N	313.825	3.199	10	20	DGCD	
Cc1nn(C)c(C)c1CN(Cc1ccc(N(C)C)cc1)C1CC1	299603897	KDQMBJUUOVULET-UHFFFAOYSA-N	312.461	3.268	10	20	DGCD	
COCCCOC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1	292805516	MQYXXDXYSSAPPT-UHFFFAOYSA-N	320.477	3.079	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CSC[C@H]1C	807477251	MDIZMVSPNMKEFD-HIFRSBDPSA-N	322.474	3.455	10	20	DGCD	
C[C@@H](NC[C@@H]1C[C@H](F)CN1)c1cc(Cl)c(Cl)cc1O	817976428	LVMYDRWOLIGJHY-VGMNWLOBSA-N	307.196	3.050	10	20	DGCD	
Cc1ccc2c(c1)/C(=C/c1cnc3c(c1)c(C)nn3C)C(=O)N2C	811699369	SJCFQWHLGGYPLP-SXGWCWSVSA-N	318.380	3.102	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCc2ccc(C)s2)c1	810404034	BTTUZPGLHQHHHR-UHFFFAOYSA-N	305.399	3.020	10	20	DGCD	
CCOc1ccc(CN[C@@H](C(C)C)[C@H](CO)C(C)C)c(O)c1	824845362	KFDCQLAXCQJSRU-AEFFLSMTSA-N	309.450	3.170	10	20	DGCD	
COc1ccccc1-c1cn(Cc2ccc(N(C)C)c(C)c2)nn1	900571382	NVQGTYLVVURESN-UHFFFAOYSA-N	322.412	3.376	10	20	DGCD	
COc1cccc(O)c1CNc1ccc(CN(C)C)c(C)c1	839188292	DXHZTXKZKASKRE-UHFFFAOYSA-N	300.402	3.383	10	20	DGCD	
CCO[C@@H](CC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	731016841	QDMKBOOQKJBEJK-SFHVURJKSA-N	318.461	3.354	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	730590879	VXCYKXHUUCOFSY-ZWKOTPCHSA-N	324.424	3.220	10	20	DGCD	
CCCCNC(=O)CN(Cc1ccccc1O)C1CCCC1	731848107	SEMABBWSPKRBLM-UHFFFAOYSA-N	304.434	3.053	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCCc3sccc3C2)cc1	841957042	LZPWGJYAVLNTNN-UHFFFAOYSA-N	315.442	3.031	10	20	DGCD	
CC(C)OC(=O)C[C@@H](NCc1ccc2c(c1)CCO2)C(C)C	848926878	GMWJHFLUIPPBRW-MRXNPFEDSA-N	305.418	3.077	10	20	DGCD	
C[C@H](NCCC(=O)N1CCCCC1)c1ccc(Cl)cc1O	841746289	XSDYRTXSMGFUAV-LBPRGKRZSA-N	310.825	3.099	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@H](C)c1ccc(C)cc1O	756711043	HRDVXVAEHVTGLC-CJNGLKHVSA-N	301.386	3.093	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCCCS2)c1	757659773	ZJGGVUCOAFGFFP-DGCLKSJQSA-N	309.431	3.115	10	20	DGCD	
C[C@H](NCCc1cnccn1)c1ccc(Cl)c(Cl)c1O	756788929	ZDSUPVLVKPWLEK-VIFPVBQESA-N	312.200	3.382	10	20	DGCD	
CC[C@@H](C)n1nc(NC(=O)NCc2cc(C)ccc2O)cc1C	860879553	CFVGGUOPMGQTFR-GFCCVEGCSA-N	316.405	3.498	10	20	DGCD	
CN(CC(F)F)C1CCN(Cc2c(O)cccc2Cl)CC1	769511864	YDJHZIBRQDPIBC-UHFFFAOYSA-N	318.795	3.207	10	20	DGCD	
C[C@@H]1CC(F)(F)CCN1C(=O)NCc1ccc(N(C)C)cc1	863506579	DOBDDYBRMDABFU-GFCCVEGCSA-N	311.376	3.082	10	20	DGCD	
CCCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OC	867988104	UFEHKCHOQPJBCG-UHFFFAOYSA-N	314.385	3.247	10	20	DGCD	
Cc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c(O)c1	877476513	GJNGSYMHHCWZQS-PKOBYXMFSA-N	315.388	3.096	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)o1	878596287	BQRVATUSBNUTLI-UHFFFAOYSA-N	300.358	3.310	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)c1	775659600	YVFUUVRNJGGDNQ-INMHGKMJSA-N	318.461	3.238	10	20	DGCD	
C[C@H](NC(=O)c1cccc(Cl)n1)c1ccc(N(C)C)cc1	775407730	UNJUIJRCNFFNEE-NSHDSACASA-N	303.793	3.292	10	20	DGCD	
CC[C@H](NCCOC[C@H]1CCCO1)c1cc(Cl)ccc1O	775507392	MCIYJUZOTLDZIB-HIFRSBDPSA-N	313.825	3.282	10	20	DGCD	
COC[C@@H](NCc1cc(F)cc(F)c1O)c1cccc(OC)c1	883167158	REFNJCSWXKEFBW-MRXNPFEDSA-N	323.339	3.156	10	20	DGCD	
CCN(C)C(=O)CN(C)c1ccc(OCc2ccccc2)cc1	781963139	IAODZLFDFLAZTQ-UHFFFAOYSA-N	312.413	3.180	10	20	DGCD	
CCOC(CCNCc1cc(Cl)cc(F)c1O)OCC	787431357	ADHWKSDJDXWRQR-UHFFFAOYSA-N	305.777	3.064	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H](c2ccncc2)C2CC2)cc1	891606835	LXVHYMBAKQLGQO-GOSISDBHSA-N	324.428	3.098	10	20	DGCD	
COc1ccc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)c(O)c1OC	893497347	ISSMPSIUICIPKO-AEGPPILISA-N	305.418	3.420	10	20	DGCD	
CC[C@@H](NCCCOC[C@H]1CCOC1)c1ccc(C)cc1O	794802857	OYJYUSDNPVXCMJ-NVXWUHKLSA-N	307.434	3.185	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O	894312608	LXZSZCGUHJFOIW-IAOVAPTHSA-N	305.418	3.002	10	20	DGCD	
CCN(Cc1cc(Cl)cc(Br)c1O)[C@@H](C)CO	894862915	NFAJGQKOGVTJLV-QMMMGPOBSA-N	322.630	3.011	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2CCN2Cc2ccccc2)cc1	716293433	SFAFMZBHDBUKDF-HXUWFJFHSA-N	309.457	3.117	10	20	DGCD	
COc1cccc(C2(C(=O)N(C)Cc3ccccc3O)CC2)c1	797192163	YSFHDRVAPGTYIU-UHFFFAOYSA-N	311.381	3.091	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](C)Cc2ccccc2F)c(O)c1	794387362	FAQDAYFNLHCLDL-GFCCVEGCSA-N	317.360	3.035	10	20	DGCD	
C[C@H](Nc1ccc(CCC(N)=O)cc1)c1cc(F)ccc1O	1325356801	MRIKCGKOUAWXSH-NSHDSACASA-N	302.349	3.122	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)cc1F	1607783104	PRCKRLHINZQHAL-NSHDSACASA-N	303.333	3.389	10	20	DGCD	
CN(CCc1cccc(Cl)c1)c1ccc(OCC(=O)O)cc1	1777063586	ZQCPHISSQVWERH-UHFFFAOYSA-N	319.788	3.482	10	20	DGCD	
CCC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	152495326	LHKUQSHTFTXXES-OAHLLOKOSA-N	307.434	3.396	10	20	DGCD	
Oc1cc(Br)ccc1CNCC1CC(F)(F)C1	691475602	BUOMXJIIDDZIRR-UHFFFAOYSA-N	306.150	3.290	10	20	DGCD	
Cc1ccc(C(=O)N(C)Cc2cc3ccccc3o2)c(O)c1O	179533477	YDAFMPVIKFQQDK-UHFFFAOYSA-N	311.337	3.425	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(C)cc(OC)c2O)cc1	119298173	JXSCJYFSYGKTBA-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@H]2CCCC[C@@H]2C)c1O	174339591	ZLNOZVLTFNCGSP-QWHCGFSZSA-N	306.406	3.026	10	20	DGCD	
CCc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)s1	180657554	IZMQMPWSMCMXSJ-XBXARRHUSA-N	303.383	3.051	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(F)cc1O	186326182	WHUVOQGLLPOQMC-SNVBAGLBSA-N	316.332	3.060	10	20	DGCD	
CC(C)CC1(C(=O)NCCc2ccc(O)c(O)c2)CCCC1	122674410	BXBSSMFCXJIOHJ-UHFFFAOYSA-N	305.418	3.363	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C(C)C)C(C)C)cc1Cl	121964611	HORLJGDRUBJCPH-UHFFFAOYSA-N	312.841	3.430	10	20	DGCD	
COc1ccc(O)c(CN[C@H](COCC(C)C)c2ccco2)c1	181376683	GHTRNCNYUWYFMR-MRXNPFEDSA-N	319.401	3.497	10	20	DGCD	
Cc1ccc([N+](=O)[O-])c(N(C)Cc2ccc(N(C)C)cc2)n1	120393088	JCKBTTUGHBVRBT-UHFFFAOYSA-N	300.362	3.001	10	20	DGCD	
Cc1cc(C)n(-c2ccc(CN[C@@H](C)c3ccccc3O)cn2)n1	183428392	XDLSSNLODFCFQD-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCn2cc(Br)cn2)c1	285609392	JAXHVWATHKHQTA-LLVKDONJSA-N	324.222	3.010	10	20	DGCD	
Cc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)s1	45679425	HHYZYZXMTCIPGK-UHFFFAOYSA-N	317.458	3.464	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CCOC[C@@H]3C)cc2)CC1	192557226	DQCMPDYESOKVIK-LPHOPBHVSA-N	302.462	3.438	10	20	DGCD	
C[C@@H]1[C@@H](NC(=O)[C@@H](C)N(C)Cc2ccccc2O)CCC[C@H]1C	245809144	NQPNQRHRBYQKHV-DLTWYDFYSA-N	318.461	3.153	10	20	DGCD	
COc1ccc(N2CCC(NCC(C)(C)C[C@H](C)O)CC2)cc1	362304794	QTQSXDMAKVKZCG-HNNXBMFYSA-N	320.477	3.051	10	20	DGCD	
CC[C@H](NCc1cccc(-n2cncn2)c1)c1ccccc1O	363711668	HWVKNYWUANJVGH-KRWDZBQOSA-N	308.385	3.214	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2[C@H]3CCC[C@H]2CC3)cc1F	365914068	NCSKPBISEHOULR-KBPBESRZSA-N	305.397	3.118	10	20	DGCD	
c1cc([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)ccn1	367722933	BYZDUMUHELNEPC-HXUWFJFHSA-N	323.440	3.255	10	20	DGCD	
C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cc2c(cc1O)CCCC2	273383985	IYNAUPNGFKGXTI-YJYMSZOUSA-N	324.424	3.148	10	20	DGCD	
CN(C)c1ccc(CNC2CCC(O)CC2)c(C(F)(F)F)c1	279979458	QHRZIGUAIGNQAO-UHFFFAOYSA-N	316.367	3.165	10	20	DGCD	
Cc1cc(O)c(CN[C@@]2(CO)CCCc3ccccc32)cc1C	282318707	KWYTZXJKJMHDMO-HXUWFJFHSA-N	311.425	3.323	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccnc1C	285120987	MQIDDPJAYBKIJG-UHFFFAOYSA-N	311.429	3.047	10	20	DGCD	
CCOc1cccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O	290952986	QULHPIITXSCJEE-SJLPKXTDSA-N	317.429	3.324	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1cccc(Cn3cccn3)c1)CC2	295845079	FUNNJONTOUHGRP-GOSISDBHSA-N	319.408	3.414	10	20	DGCD	
CC[C@H](NCC(F)(F)CO)c1cc(Cl)cc(Cl)c1O	806157724	AYAMSNNEWDKTRY-JTQLQIEISA-N	314.159	3.367	10	20	DGCD	
CCCN(CCN1CCCC1)Cc1cccc(OCC)c1O	809700781	OASXBYNJDUQECZ-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
O[C@H](CCc1ccccc1)CNc1ccccc1OCCF	819488607	ORXSOLVORYAYRL-MRXNPFEDSA-N	303.377	3.441	10	20	DGCD	
C[C@@H](NC(=O)CCCC1CC1)c1ccc(N2CCOCC2)cc1	812484197	XSPKADFAMJFVTE-OAHLLOKOSA-N	316.445	3.281	10	20	DGCD	
C[C@@H]1CN(c2cccc(F)c2)CCN1Cc1ccccc1O	814178352	MZDYZQBOQGIRAV-CQSZACIVSA-N	300.377	3.242	10	20	DGCD	
Nc1ccc(CCNC(=O)C2(Cc3ccccc3F)CC2)cc1	818544750	LXHGOMLDSKZYGD-UHFFFAOYSA-N	312.388	3.090	10	20	DGCD	
CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H](CC)O1	817126385	ZUMOSLXRECOCGF-VXGBXAGGSA-N	324.377	3.006	10	20	DGCD	
CC(C)Cn1ncc(C(=O)Nc2ccc(N)cc2)c1C(F)F	818556547	ZITNYWZYWKAXDO-UHFFFAOYSA-N	308.332	3.311	10	20	DGCD	
CCCN1CCC(NCc2cc(Cl)c(F)cc2O)CC1	816561419	XFCCBQTVBMUANJ-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc(Cl)c(C)cc1O	826083440	FRWJGZHODOSSGO-OCCSQVGLSA-N	311.809	3.175	10	20	DGCD	
CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1	822226779	HPULQLCZXVZRGK-GFCCVEGCSA-N	302.340	3.347	10	20	DGCD	
COc1ccc(N2CCC(NCCC[C@@H]3CCOC3)CC2)cc1	825144422	NBBGVQSWOUMBJW-MRXNPFEDSA-N	318.461	3.070	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1C[C@H](C)C(=O)Nc2ccccc21	492527870	GJRKTYYQZFNJJK-NPQIQWPPSA-N	321.380	3.025	10	20	DGCD	
CN1CCCc2cc(CNC[C@H](O)c3ccccc3F)ccc21	727644189	RLWFFUKRQBWVOM-IBGZPJMESA-N	314.404	3.031	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](C(C)C)[C@@H](CO)C(C)C)c1	824846599	UMFCZHGETNGZJU-FUHWJXTLSA-N	309.450	3.170	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)[C@@H](C)c2ccccc2)cc1F	828040677	LIYYBTKNCNUNFG-SUMWQHHRSA-N	303.377	3.435	10	20	DGCD	
CCc1cc(N2CCCN(c3ccc(OC)cc3)CC2)ccn1	827430371	JVWLRSJDDATFPY-UHFFFAOYSA-N	311.429	3.369	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC[C@@H]1CCCO1	839914816	BWFSJILERMIOLJ-YJBOKZPZSA-N	318.461	3.067	10	20	DGCD	
CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc(O)cs1	732284400	OPZLSOKXWDUOGE-UHFFFAOYSA-N	318.442	3.178	10	20	DGCD	
COc1ccc(N(CCOC[C@@H]2CCCO2)CC2CC2)cc1	831587487	BFXSCKJVONBKPP-SFHVURJKSA-N	305.418	3.107	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@H]1NCCc2ccccc21	841067314	ASPKLALQUFOQGF-MRXNPFEDSA-N	302.805	3.022	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC(C1CC1)C1CC1	745828978	WZLBEVUOCVTNFD-UHFFFAOYSA-N	315.461	3.296	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc3ccsc3[nH]2)cc1F	746864414	IWQLZTIOPDDRLX-UHFFFAOYSA-N	317.389	3.365	10	20	DGCD	
CC(C)(C)C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	840148812	ANTOCHDWFMQVFW-MLGOLLRUSA-N	305.418	3.076	10	20	DGCD	
COc1cccc([C@H](C)NCc2csc([C@@H](C)OC)n2)c1O	846148827	HWLXGEDIUQTXDC-WDEREUQCSA-N	322.430	3.416	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2nccc(C(F)(F)F)n2)c1	840869739	PSJPJGFJGXNTCL-JTQLQIEISA-N	311.307	3.360	10	20	DGCD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccccc1O	743328381	SRIFVBUWUBWWOZ-LXZKKBNFSA-N	305.418	3.382	10	20	DGCD	
CCc1cccc(CNCCOc2ccccc2OC)c1O	848891024	NAITTYXYDRPXHZ-UHFFFAOYSA-N	301.386	3.132	10	20	DGCD	
C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)cc1O	841759687	PJHDAKUMMHNIFG-LZVXQISVSA-N	303.789	3.355	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CCc3ccccc3)ccc21	746808761	KERKSPJDCBSRNV-UHFFFAOYSA-N	308.425	3.318	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1ccnn1C	840893818	MGZIYRRWWVCJOB-LSDHHAIUSA-N	300.450	3.076	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NC[C@@H]2CC(=O)N(C3CC3)C2)c1O	846207096	YIZXMKBKLVWJGQ-RYUDHWBXSA-N	322.836	3.016	10	20	DGCD	
C[C@@H](c1cccnc1)N(C)Cc1ccc(N2CCN(C)CC2)cc1	757892320	RPGJZQQFAGZEAJ-KRWDZBQOSA-N	324.472	3.026	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2NCc1ccc2c(c1)CCCO2	921748449	IBFZARYASVISAW-QGZVFWFLSA-N	309.413	3.277	10	20	DGCD	
CCCC[C@H](COC)N[C@H](C)c1cc(C(=O)OC)ccc1O	756584969	HUOGCSTWLWFESY-TZMCWYRMSA-N	309.406	3.035	10	20	DGCD	
CCN(CCO)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	755473637	XGWLSFAPHITXEP-UHFFFAOYSA-N	314.429	3.165	10	20	DGCD	
C[C@H](NCCc1nc2c(s1)CCC2)c1cc(F)ccc1O	926930098	FWDGUOSZHRXBML-JTQLQIEISA-N	306.406	3.370	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1F	757852646	PVWODBAQPSVSOU-XJKSGUPXSA-N	322.424	3.308	10	20	DGCD	
COc1nc(C)cc(C)c1CN[C@@H](C)c1ccc(F)cc1O	756536675	SMQGNLYOYXOMRU-LBPRGKRZSA-N	304.365	3.403	10	20	DGCD	
CS[C@H]1CC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1	858146924	CVOFTFYPRQTLRV-RYUDHWBXSA-N	300.418	3.405	10	20	DGCD	
CC(C)C[C@H](O)CN[C@@H](C)c1ccc(Br)cc1O	756496430	HKXQPQACAUMWPP-JQWIXIFHSA-N	316.239	3.212	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)O1	750045476	RKIUDVUBDGTSPN-IINYFYTJSA-N	311.809	3.248	10	20	DGCD	
CNC(=O)C1CCC(N[C@H](C)c2cc(Cl)ccc2O)CC1	756491138	YKGYBEVCAQXNEF-XSRFYTQQSA-N	310.825	3.001	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCc2ccccc2)c1	756344419	QSRVBMALHUEWRI-AWEZNQCLSA-N	313.397	3.462	10	20	DGCD	
CCO[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C(C)C	761569764	SCDXSPFGIGSMPE-GOSISDBHSA-N	319.445	3.338	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2CCCC1CCOCC1	765949904	LUABUTRIXPAXEI-UHFFFAOYSA-N	304.434	3.158	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1Cc1ccc(N2CCOCC2)c(F)c1	775997422	ASMWQYAPVBYOEU-RHSMWYFYSA-N	306.425	3.283	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCC(C)(C)OC	876079593	OYLVAHDLFXFQJB-UHFFFAOYSA-N	308.422	3.129	10	20	DGCD	
C[C@@H](c1ccccc1)N(C)C(=O)CN[C@H](C)c1ccccc1O	879648030	WHHKOAACEFWGJB-CABCVRRESA-N	312.413	3.262	10	20	DGCD	
COc1ccc(CNCc2ccc(N3CCCC3)cc2)c(O)c1	1116865161	IZDOBEPXVXDSQZ-UHFFFAOYSA-N	312.413	3.291	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2cccc(C)c2F)c1O	774941765	MGCAVDPETJQWAH-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
COC(=O)c1cccc(NNC(=S)Nc2ccc(C)cc2)c1	779727939	QHKAXHQGXNCLSX-UHFFFAOYSA-N	315.398	3.095	10	20	DGCD	
Oc1cccc(Cl)c1CNc1cnn(Cc2ccccn2)c1	777464474	OHHGPZULXNNIOD-UHFFFAOYSA-N	314.776	3.298	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1CCN(c2ccccc2)C1	882887605	AGRACLHLGKJBFY-ZDUSSCGKSA-N	318.367	3.287	10	20	DGCD	
COc1cc(C)cc(CNc2ccc(OC(F)F)nc2)c1O	894685524	DEQAXQRVFMCEEI-UHFFFAOYSA-N	310.300	3.318	10	20	DGCD	
C[C@@H](O)CCCN[C@H](C)c1cc(Br)c(F)cc1O	788603780	DRZCYNAUPRZOPQ-RKDXNWHRSA-N	320.202	3.105	10	20	DGCD	
CC(C)=CCCNC(=O)NCc1ccc(N2CCCC2)cc1	790185751	NEFNRKWZNGRFGQ-UHFFFAOYSA-N	301.434	3.442	10	20	DGCD	
C[C@H]1C[C@@H](N2CCCC2)CN1Cc1cc2c(cc1O)CCCC2	795697248	CAJNXWKHSXNFNK-HNAYVOBHSA-N	314.473	3.330	10	20	DGCD	
COc1ccc(N(CCC(C)C)Cc2ncnn2CCF)cc1	799323823	DFBGBFWBIJONFR-UHFFFAOYSA-N	320.412	3.309	10	20	DGCD	
CCN1C(=O)/C(=C/c2ncc(-c3ccccc3)[nH]2)SC1=S	1318395580	TYPAGHYBXMUTOB-WQLSENKSSA-N	315.423	3.298	10	20	DGCD	
CC1(C)C[C@H](O)CCN(Cc2ccc(N3CCCC3)cc2)C1	1325131827	IVHFNIFKZFFWGV-GOSISDBHSA-N	302.462	3.270	10	20	DGCD	
COC(=O)N1CCC[C@H](N[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1	1320410484	BXNQLJGVPOFDNN-RDBSUJKOSA-N	318.417	3.069	10	20	DGCD	
C[C@H]1CCCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	1604730115	ICVXBFLDRHIULC-WMADIVHISA-N	304.346	3.319	10	20	DGCD	
O=C(O)[C@@H]1C[C@@H](NCc2cc(F)cc(F)c2O)c2ccccc21	1574650448	RRERBUHPHNXYLG-UKRRQHHQSA-N	319.307	3.073	10	20	DGCD	
CCN1CCCc2cc(CNC(C)(C)C[C@@H](C)C(=O)O)ccc21	1776875129	HQNPFFCBVXBOED-CQSZACIVSA-N	318.461	3.438	10	20	DGCD	
CCCN1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1	389394075	OJXRDFSQZNXCCJ-GFCCVEGCSA-N	303.233	3.273	10	20	DGCD	
Cc1cc(O)c(CN2CCN(c3ccc(F)cc3)CC2)cc1C	6998422	ZXTNAJKUDUUYMR-UHFFFAOYSA-N	314.404	3.470	10	20	DGCD	
CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1	179536249	KCNSOWFJUOGOAU-NWDGAFQWSA-N	309.431	3.200	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccncc2)cc1F	66906886	SFLRFGFFABBFII-UHFFFAOYSA-N	316.380	3.389	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)cn1C	27154562	YCJXUJJGKJXVAY-UHFFFAOYSA-N	305.809	3.017	10	20	DGCD	
c1ccc(-c2cc(Sc3nccs3)n3ncnc3n2)cc1	301063575	CQYFGQYNFSYJMR-UHFFFAOYSA-N	311.395	3.399	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](CN3CCCCC3)C2)cc1C	172957374	FWUIZHJTIIIWRH-QGZVFWFLSA-N	302.462	3.317	10	20	DGCD	
CNC(=O)c1cccc(COc2ccc(N3CCCC3)cc2)c1	178193426	RFJDAGUYBBGACH-UHFFFAOYSA-N	310.397	3.225	10	20	DGCD	
Nc1ccc(CN2CCNC[C@H]2c2cccc(Cl)c2)cc1	1352791122	VPIWTBHXVVQSBP-KRWDZBQOSA-N	301.821	3.069	10	20	DGCD	
COc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(F)cc1O)C2	185334486	DRKXQJFMCSPDFW-FZMZJTMJSA-N	317.360	3.194	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2cccc(C)c2)c1	120149061	SWHLGKRLDTWGCG-AWEZNQCLSA-N	301.386	3.439	10	20	DGCD	
CCc1nc(CCN[C@H](C)c2cc(OC)ccc2O)cs1	185310741	MRUHBSIFSMWYHX-LLVKDONJSA-N	306.431	3.313	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccccc1S(C)(=O)=O	77979875	BZRUDDUVWUEDFK-UHFFFAOYSA-N	318.442	3.077	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@@H](C)c2cccs2)cc1F	121723197	LAPIPVYBVCYTIZ-NSHDSACASA-N	322.405	3.209	10	20	DGCD	
Cc1c(CN[C@H](C)c2cc3n(n2)CCC3)n(C)c2ccccc12	414152574	QMJXSOTXMICCJH-CQSZACIVSA-N	308.429	3.480	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C)cc(F)c1	189428480	LMXNWAPZKGKNCL-UHFFFAOYSA-N	309.362	3.203	10	20	DGCD	
C/C=C/C[C@H](CO)N[C@H](C)c1cc(Br)ccc1O	186520067	ZUMHXGQEXISFSZ-ISBNUJHVSA-N	314.223	3.132	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](CO)Cc1ccccc1	320934960	RZZMOPOJTCGOSW-OIISXLGYSA-N	311.425	3.442	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)c2ccncc2)c1	132757955	WPYBWKCATNBLKQ-CHWSQXEVSA-N	314.385	3.167	10	20	DGCD	
CC(C)C[C@@H](C)OCCC(=O)NCc1ccc(N(C)C)cc1	87004615	QPKILACSYLJPFP-OAHLLOKOSA-N	306.450	3.210	10	20	DGCD	
CCOc1cc(N(C)Cc2ccccc2O)ccc1[N+](=O)[O-]	92689343	AKTOXJIZXFIGPY-UHFFFAOYSA-N	302.330	3.336	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1cc2c(cc1O)CCCC2	273530764	WECUMMXSFVSHDG-MEBBXXQBSA-N	317.351	3.235	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)[C@H]1CCCN(C2CCC2)C1	272742561	BFSUCUKWTQXJHO-WMZOPIPTSA-N	315.505	3.495	10	20	DGCD	
CC[C@H](NCc1ccccc1Cn1cncn1)c1ccccc1O	274910469	MYOVOCUHIHXTKC-SFHVURJKSA-N	322.412	3.273	10	20	DGCD	
CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C)cc1O	285729119	QSJXPDKUSAVQJG-HDMKZQKVSA-N	318.461	3.435	10	20	DGCD	
COc1cc(Cl)cc(CN(C)C2C[C@@H]3CC[C@H](C2)N3C)c1O	289861141	VKBKYNMBRAZKCA-YIONKMFJSA-N	324.852	3.111	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CN1[C@H](C)CC[C@H]1C	801546204	JPNLMGFHLYBHII-HZPDHXFCSA-N	318.461	3.394	10	20	DGCD	
CC[C@@H](NCc1cccn(CC)c1=O)c1cccc(Cl)c1O	806163422	QLOPDEOEBZYEGA-OAHLLOKOSA-N	320.820	3.468	10	20	DGCD	
CC(=O)C(=O)CSc1nccn1-c1cccc(Cl)c1C	808016228	HWGCYIBZFLERIE-UHFFFAOYSA-N	308.790	3.084	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2cccc(O)c21	297938500	XZUWSSUAZUYJKH-AWEZNQCLSA-N	314.341	3.086	10	20	DGCD	
Oc1c(CN2CCN(CC(F)(F)F)CC2)ccc2ccccc12	816483598	XUNUCNBKJBCWBN-UHFFFAOYSA-N	324.346	3.225	10	20	DGCD	
CC(=O)C1(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1	814831218	SDSMYKIMDULYFT-UHFFFAOYSA-N	324.424	3.122	10	20	DGCD	
Cc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(F)cc1O)C2	810259515	KLSOKKBRPXQNFJ-WFASDCNBSA-N	301.361	3.494	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1F	816665979	BHWGZONPNIWUKC-MSOLQXFVSA-N	304.409	3.035	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1cc(Br)ccc1O)C1CC1	815651478	UUPQBWOZSCTOCF-OTYXRUKQSA-N	314.223	3.230	10	20	DGCD	
CC[C@H](NC1CCNCC1)c1ccc(Cl)c(Cl)c1O	817937308	WGHCPYABENYWAY-LBPRGKRZSA-N	303.233	3.492	10	20	DGCD	
Cc1ncsc1CCNCc1cc(Cl)cc(F)c1O	824737488	AXKHQMLMUXUWGH-UHFFFAOYSA-N	300.786	3.282	10	20	DGCD	
C[C@@H](NC(=O)CCc1cccnc1Cl)c1ccccc1O	827955600	BGEOROUMULCKGJ-LLVKDONJSA-N	304.777	3.251	10	20	DGCD	
CCN(CC(C)=O)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	820437299	WNDCGMICCVSMMY-UHFFFAOYSA-N	316.376	3.284	10	20	DGCD	
CC(C)[C@H](N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21)c1nncn1C	903067145	ZAOMYFRKGIUWTM-SIVJFFJCSA-N	318.396	3.195	10	20	DGCD	
COc1cc(F)cc(C[C@H](C)NCc2c(O)cccc2OC)c1	835054620	LSYHGZLIUFYWGZ-LBPRGKRZSA-N	319.376	3.269	10	20	DGCD	
Cc1cc(CN2CCC[C@H]2CC(=O)O)c(O)c(C(C)(C)C)c1	832882289	CDSWAZRMBUUTFF-AWEZNQCLSA-N	305.418	3.437	10	20	DGCD	
COc1ccc(N(CCCC(=O)O)Cc2ccco2)cc1F	738018228	WKQSCLBEVRKERS-UHFFFAOYSA-N	307.321	3.299	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCS1	743325252	WEBWDKJAPXVLTR-MRXNPFEDSA-N	304.459	3.189	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCN2C)c1cc2n(n1)CCC2	840720552	OCHFKJBVYXRYDA-AWEZNQCLSA-N	310.445	3.063	10	20	DGCD	
Cc1cc(C(=O)NCc2cc(Cl)ccc2O)nn1C(C)C	846477621	UEYFQDAMAYRVOH-UHFFFAOYSA-N	307.781	3.061	10	20	DGCD	
COc1cccc(CNCc2cccc3c2OC(F)(F)O3)c1O	840948749	JWJUUGQMMPPOAV-UHFFFAOYSA-N	323.295	3.012	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc(OC(F)F)cc1	748438575	LNNITJAYGPDKNB-UHFFFAOYSA-N	308.284	3.315	10	20	DGCD	
C[C@H]1CCC[C@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1	743810955	HIVWBNALYVBWHJ-GJZGRUSLSA-N	303.450	3.473	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c1	748972335	PUZVEYROGVOSFL-SWLSCSKDSA-N	320.433	3.415	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCOC[C@H]1c1ccco1	840915102	KBPWHXDLNKRJMM-KRWDZBQOSA-N	300.402	3.228	10	20	DGCD	
COc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)c(F)c1	844269481	SSPGBEVXENWGBQ-SDQBBNPISA-N	309.387	3.198	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@H](c2ccco2)C1	840919157	WIQUBWMRWKAVAN-SFHVURJKSA-N	300.402	3.228	10	20	DGCD	
Oc1ccccc1CN1CCNC[C@@H]1c1ccccc1Cl	843115463	FJQPZQRBCWQYJI-MRXNPFEDSA-N	302.805	3.192	10	20	DGCD	
CCN(C[C@@H](O)c1cccc(F)c1)c1ccc(OC)c(OC)c1	921061352	CQXWBYVAFWGLPD-MRXNPFEDSA-N	319.376	3.403	10	20	DGCD	
CC(C)CSCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	756114195	OHYFMZKATGBXQR-UHFFFAOYSA-N	323.506	3.283	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CC23CCC3)cc1F	759788269	TVPZLMHNHZCJDP-CQSZACIVSA-N	304.409	3.478	10	20	DGCD	
CS[C@@H]1CC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1	858146922	CVOFTFYPRQTLRV-NWDGAFQWSA-N	300.418	3.405	10	20	DGCD	
C[C@H](NCC1(N)CCCC1)c1cccc(C(F)(F)F)c1O	854222664	JRMGZJQRBDPZRN-JTQLQIEISA-N	302.340	3.333	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(F)cc(C(F)(F)F)c1	755767969	KLEFIDFDKFSUPT-UHFFFAOYSA-N	313.250	3.480	10	20	DGCD	
CCOc1ccc(O)c(CNC2(CC(=O)OC)CCCCC2)c1	756133005	VCICEXBGMNNCNM-UHFFFAOYSA-N	321.417	3.147	10	20	DGCD	
CN(C)c1ccc(OCC(=O)NC2CCCCCCC2)cc1	757705845	ZGWHUMLDKRZOPG-UHFFFAOYSA-N	304.434	3.361	10	20	DGCD	
C[C@@H](NCc1ncccn1)c1ccc(N2CCCCC2)c(F)c1	850551399	HTYGMIRPJUWRKX-CQSZACIVSA-N	314.408	3.457	10	20	DGCD	
CCC[C@H](C)S(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1	757744669	MUZQPDVDGCHZIM-AWEZNQCLSA-N	312.479	3.093	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@H](c2ccccc2)N(C)C)c1	862757186	KNNFCOPAXXRLTL-QGZVFWFLSA-N	312.413	3.010	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	765287482	QBJFQPUBHUHTRW-QAPCUYQASA-N	320.452	3.455	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cccc(N3CCCC3)c2)c1	862754249	VXRLLPNXTXIEGH-UHFFFAOYSA-N	310.397	3.231	10	20	DGCD	
COCCOCc1ccc(NCc2ccc(C)cc2O)cc1	877658607	UXVJINOQIPSDSY-UHFFFAOYSA-N	301.386	3.476	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@H]3Cc4ccccc43)cc2)CC1	877017390	ULEFGQVNXRRHTP-GOSISDBHSA-N	322.452	3.077	10	20	DGCD	
Cc1cccc(O)c1CN[C@H](C)C[C@H](O)c1ccc(F)cc1	877128380	GOHRIUMDNUDBGV-ACJLOTCBSA-N	303.377	3.442	10	20	DGCD	
C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1O	775136631	MJSKRSOGEJGZQB-HNNXBMFYSA-N	324.424	3.479	10	20	DGCD	
COC(=O)[C@@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)[C@H]1C	787245144	ZWOMSXYIKWKIQS-DZGCQCFKSA-N	305.418	3.207	10	20	DGCD	
COc1cc(C)cc(CNCCCNc2ccccc2)c1O	894138246	HYZZADZHMUPUML-UHFFFAOYSA-N	300.402	3.301	10	20	DGCD	
COc1ccccc1-n1nccc1CN(C)Cc1ccccc1O	797590001	UDXDBDSZCBASQB-UHFFFAOYSA-N	323.396	3.219	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@@H](C)N(C(=O)CC(C)C)C2)cc1C	987836350	SLSRECVWMCMZSR-WBVHZDCISA-N	318.461	3.129	10	20	DGCD	
Cc1cc(C(=O)N2CC[C@H](F)C2)c(C)n1-c1ccc(F)cc1	1328151936	SZXJREWPHATWEQ-AWEZNQCLSA-N	304.340	3.417	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](CO)CC2CCOCC2)c(O)c1C	1339285727	BQMWJTCVDODKMX-RDJZCZTQSA-N	321.461	3.085	10	20	DGCD	
COc1ccc(C(=O)NCCCSc2nccs2)cc1C	1347650337	OMVNIKAHUGKVCS-UHFFFAOYSA-N	322.455	3.372	10	20	DGCD	
C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N)cc1	1346740233	ZCGDLHZBUFKHHC-CRAIPNDOSA-N	323.440	3.432	10	20	DGCD	
CN(Cc1ccc(C(N)=O)cc1)Cc1ccc(N2CCCC2)cc1	1347180148	RMEWEYYIIBQMNM-UHFFFAOYSA-N	323.440	3.018	10	20	DGCD	
Cc1oc(C(=O)O)cc1CNCCCSc1nccs1	1600831565	SDXVXUPDZBSFKU-UHFFFAOYSA-N	312.416	3.015	10	20	DGCD	
COc1cc(C(=O)O)ccc1NCc1ccc(N(C)C)c(F)c1	1610286598	ZNBDUUCTWAHFEU-UHFFFAOYSA-N	318.348	3.211	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCNC1	1577457809	GHVYAGPSJUSRMX-INIZCTEOSA-N	318.461	3.301	10	20	DGCD	
COC(=O)Nc1ccc(NC(=O)N(C)c2ccc(N)cc2)cc1	1578827781	JZESSEGGYNHVBT-UHFFFAOYSA-N	314.345	3.115	10	20	DGCD	
CCOCCCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	165098702	FHZBCIGGDDFBES-OAHLLOKOSA-N	324.440	3.130	10	20	DGCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(F)ccc1F	70333909	XDIPFDJHYACGGJ-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
CCc1nnc(NCc2c(O)cccc2Br)s1	706829119	LFJRPDBBNPQNLL-UHFFFAOYSA-N	314.208	3.181	10	20	DGCD	
COc1cc(CN2CCC[C@H](OC)C2)c(O)c(C(C)(C)C)c1	178886588	AJTWTLOHVHHZQC-AWEZNQCLSA-N	307.434	3.309	10	20	DGCD	
C[C@@H](Cc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21	173187394	IHCNCUKRJRQZKD-HNNXBMFYSA-N	324.424	3.357	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(C)c(O)c1O	177678557	WJROTQUGEJTVLU-UHFFFAOYSA-N	315.369	3.164	10	20	DGCD	
Cc1n[nH]c(C)c1NC(=O)c1cc(C)n(-c2ccccn2)c1C	63838129	UWSOKILPPHNUCX-UHFFFAOYSA-N	309.373	3.081	10	20	DGCD	
CC(C)(C)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)s1	122793163	WWUDDQHUTFWRQR-UHFFFAOYSA-N	319.426	3.429	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCC(Cn2cncn2)CC1	186905247	RUUXUNHMKATTJS-UHFFFAOYSA-N	322.412	3.049	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c(O)c1O	182577313	BLKTYJNOMLLVJT-HIFRSBDPSA-N	311.381	3.424	10	20	DGCD	
CC[C@@H]1CC[C@H](C)N1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	317704562	OPZIKFCRBAIIQJ-PLGKGIRVSA-N	304.346	3.460	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccncc1Cl	72910561	KDLMOUZWUSHMEI-UHFFFAOYSA-N	304.777	3.493	10	20	DGCD	
CN1CCC(C)(CNCc2ccc(N3CCCC3)cc2)CC1	319042941	IJUDJQTVQLOUCG-UHFFFAOYSA-N	301.478	3.108	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2cnn(C)c2C)c1O	183360886	WPPYGIZSXYANFK-VIFPVBQESA-N	321.808	3.141	10	20	DGCD	
CCc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1	181100516	OCBBGKPHHHDLRH-CSKARUKUSA-N	311.381	3.032	10	20	DGCD	
CCNC(=O)c1cccc(N[C@H](C)c2cc(OC)ccc2O)c1	320002763	HEVGIVNKSXTROV-GFCCVEGCSA-N	314.385	3.324	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)c1nc2ccccc2[nH]1	43832391	CZLCRWKDCHJSEU-LBPRGKRZSA-N	324.384	3.171	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1	324210687	NZJAIFYDVOMSMK-QWHCGFSZSA-N	324.428	3.334	10	20	DGCD	
Cc1c(C(=O)NCCCSc2nccs2)cnn1C(C)C	92449856	FPMTVKZFGJXYLV-UHFFFAOYSA-N	324.475	3.141	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCSc3ccc(Cl)cc32)cn1	96794773	JCRXMHNYBPGMLA-DJWKRKHSSA-N	319.817	3.226	10	20	DGCD	
Cc1ccc(O)c(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1	93360301	WHSQEBIRZWYOOA-ZDUSSCGKSA-N	308.422	3.046	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1	246867659	SOPIYSCLJJLXOC-SUMWQHHRSA-N	320.864	3.494	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](CO)c2ccccc21	354044464	ITZXIKWVMZGVOB-KEDPEKRHSA-N	310.353	3.204	10	20	DGCD	
C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2	272631855	KNEKSQHJQMCNHP-BPJJOFIESA-N	301.386	3.150	10	20	DGCD	
COC1(C)CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	271734981	NUDPVUSIIYSBIV-UHFFFAOYSA-N	311.809	3.249	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC(C)(C)C1	542865958	IRITZZLKUOSAJD-ZDUSSCGKSA-N	302.418	3.304	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2[C@H]2CCCO2)c1O	375333999	AYWFQAOLQHAIGB-HZPDHXFCSA-N	323.820	3.392	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](CC)c2ccc(C)cc2O)[C@]12CCCO2	280218774	UNXYJVGNBBHVAU-QXCFHYIPSA-N	319.445	3.468	10	20	DGCD	
CC[C@H](NCCC(=O)N(C)C)c1cc(Cl)cc(Cl)c1O	287882889	YNXWJXYMIOEXPG-LBPRGKRZSA-N	319.232	3.218	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCC(F)(F)C2)cc1F	282124736	KSNUFCIAGAIAJY-LBPRGKRZSA-N	314.351	3.333	10	20	DGCD	
CCOCC(C)(C)CNCc1cc(Cl)cc([N+](=O)[O-])c1O	808450394	NUQSCVRWKNWNQA-UHFFFAOYSA-N	316.785	3.106	10	20	DGCD	
C[C@H]1C[C@@H](N2CCCC2)CN1Cc1c(O)ccc(Cl)c1F	809703677	OIFZJOHYJQCPCE-NWDGAFQWSA-N	312.816	3.243	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H]2CCc3cccc(O)c32)C1	297867022	ULOIXQVABVBJRO-JRMKUOIOSA-N	307.459	3.049	10	20	DGCD	
C[C@@H]1CCCN(CCCCN[C@H]2CCc3cccc(O)c32)C1	295828958	DUXTXSUYVVCXKO-WBVHZDCISA-N	302.462	3.481	10	20	DGCD	
CN(CCC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1O	816516120	VUFKIYDPMPWEDR-UHFFFAOYSA-N	317.788	3.348	10	20	DGCD	
C[C@@H](NC[C@@H]1NCCc2ccccc21)c1cc(F)cc(F)c1O	817972954	ACDYAHKBPCIMKR-DIFFPNOSSA-N	318.367	3.208	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(F)c2F)c1	728979525	XWSWLORAGYHECL-SECBINFHSA-N	307.296	3.170	10	20	DGCD	
CCCc1nc(COC(=O)c2ccc(C)c(O)c2O)cs1	728344414	JTUHLPAEITXRAW-UHFFFAOYSA-N	307.371	3.172	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC[C@H](C)OC)cc1	726713544	GQDUDLBXXRGBOJ-HNNXBMFYSA-N	321.465	3.099	10	20	DGCD	
O=C(c1cc(O)cs1)N(CCN1CCCC1)c1ccccc1	828454232	RCEIRHNKZDCJQL-UHFFFAOYSA-N	316.426	3.196	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)CCOC2	827956081	NRGQGEUSKSLZTE-UHFFFAOYSA-N	324.424	3.064	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc([S@@](C)=O)cc2)cc1Cl	825943545	GZPOFMYJXSLHAV-OAQYLSRUSA-N	323.845	3.381	10	20	DGCD	
CCCOc1cccnc1C(=O)N[C@H](C)c1ccccc1O	827946306	DBXMUQJOGXDKPB-GFCCVEGCSA-N	300.358	3.067	10	20	DGCD	
CC[C@H](N[C@H](C)Cc1cnn(C)c1)c1ccc(N(C)C)cc1	834895634	CKMCHVRHOYFPNP-KDOFPFPSSA-N	300.450	3.158	10	20	DGCD	
C[C@H](NCCC(C)(C)CO)c1cccc(C(F)(F)F)c1O	834872602	ZLRFEUWVNSGQKI-JTQLQIEISA-N	305.340	3.470	10	20	DGCD	
C[C@@H](N[C@@H]1CCC[C@H]1O)c1ccc(N2CCCCC2)c(F)c1	834915723	TWKLSUQHWPOYKN-MZMPZRCHSA-N	306.425	3.380	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](O)c2ccccc2C)c1O	846146990	UBSLOJPYVSKLDM-CJNGLKHVSA-N	301.386	3.093	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CC2CC2)C(=O)O)cc1F	841810621	BYTVDZRMOBDDGD-OAHLLOKOSA-N	308.397	3.015	10	20	DGCD	
CC(C)N(CCCc1cnn(C)c1)Cc1ccc(N(C)C)cc1	919770969	YHBYHWATKXLUBW-UHFFFAOYSA-N	314.477	3.329	10	20	DGCD	
COc1cc(CNCCc2ccc(N)cc2)ccc1SC	841035255	LXWILEJYDVWTBT-UHFFFAOYSA-N	302.443	3.332	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)c1O	848897417	ILYSMEPHQAYYRG-ZOCZFRKYSA-N	309.475	3.124	10	20	DGCD	
Cc1cccc([C@H]2CCCN2C(=O)NCCc2ccc(N)cc2)n1	841960300	LJIDHWVIMTZDGE-GOSISDBHSA-N	324.428	3.061	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2sccc2Cl)cc1	841045192	JGTMHQAIIJMCQN-AWEZNQCLSA-N	309.866	3.257	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H]2CCCc3nc(C)ncc32)c1O	846146921	SWYNDLIWUMWJJY-ABAIWWIYSA-N	313.401	3.227	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCC[C@@H](C)CO	759890492	VQCVVNBGOZZXIG-GFCCVEGCSA-N	320.458	3.294	10	20	DGCD	
O=C(N[C@@H](c1cccs1)C1(CO)CCC1)c1cc(O)cs1	855117997	LDTFVGCSMKRKAE-ZDUSSCGKSA-N	323.439	3.149	10	20	DGCD	
Cc1ccc([C@@H](C)NCCC(=O)Nc2ccccn2)c(O)c1C	756480134	RDFMCSWJVMWNNT-CQSZACIVSA-N	313.401	3.083	10	20	DGCD	
C[C@H](N[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1O	756770562	WBYOGRWHQFVEQA-IONNQARKSA-N	320.614	3.248	10	20	DGCD	
C[C@@H](NCCN(C)c1ccccc1)c1cc(F)cc(F)c1O	756379929	DMVIXLYWWDZYPG-GFCCVEGCSA-N	306.356	3.457	10	20	DGCD	
C[C@H](NCCc1cc(F)cc(F)c1)c1cc([N+](=O)[O-])ccc1O	756510077	GSSFOBPFVGRIHX-JTQLQIEISA-N	322.311	3.472	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cccc(-c2cc[nH]n2)c1	767918593	URPILVFZKAISRB-UHFFFAOYSA-N	308.341	3.104	10	20	DGCD	
CSc1cc(C(=O)NCc2ccc(N(C)C)cc2C)co1	865905156	YWGBCVYSXWJWKF-UHFFFAOYSA-N	304.415	3.306	10	20	DGCD	
CCC(CC)C(=O)N1CCN(Cc2c(O)cccc2Cl)CC1	768334136	MCLPNFGMUGYHLI-UHFFFAOYSA-N	324.852	3.126	10	20	DGCD	
CC[C@H](NCc1c(O)cccc1Br)[C@@H]1CCCO1	1118858642	PDYCJPNZVARDMK-JSGCOSHPSA-N	314.223	3.202	10	20	DGCD	
CCC[C@@H](C)NC(=O)NCc1cccc(Br)c1O	764758659	SGECHLNRDHEWNE-SECBINFHSA-N	315.211	3.143	10	20	DGCD	
Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)c1ccccc1O	775128391	AQLKTRORXNZVNL-JKSUJKDBSA-N	315.413	3.100	10	20	DGCD	
CCc1cccc2c1N(C(=O)/C=C\c1ccc(O)c(O)c1)CC2	779506030	MQCGZTSIPJZVCJ-CLFYSBASSA-N	309.365	3.263	10	20	DGCD	
O=C1N[C@@H](c2c(O)cccc2Br)Nc2ccccc21	877842178	AKPPQEIRNFYMMW-ZDUSSCGKSA-N	319.158	3.009	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(C(C)C)C1=O)c1cc(Cl)ccc1O	775523891	NSYSIIJJPYAWLF-UONOGXRCSA-N	310.825	3.096	10	20	DGCD	
CCc1onc(C)c1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775688908	SFLULNJQVJLXBJ-NSHDSACASA-N	316.405	3.494	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@H]2COC3(CCCC3)O2)cc1	774467948	FYLYALPERMOXBP-YJBOKZPZSA-N	318.461	3.479	10	20	DGCD	
C[C@@](O)(CCNCc1c(O)cccc1Cl)c1ccccc1	778213196	CXZVWHZMDXKAJI-QGZVFWFLSA-N	305.805	3.433	10	20	DGCD	
COc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)c(O)c1OC	892120343	GXUKCTGDDIZXBL-UKRRQHHQSA-N	323.458	3.269	10	20	DGCD	
C[C@H]1CN(c2ccc(CNCC3(C)CC3)cc2F)C[C@@H](C)O1	785427522	ZCAQGUBGLOCGDX-OKILXGFUSA-N	306.425	3.329	10	20	DGCD	
Cc1cc(C(=O)N2CCC(F)(F)CC2)c(C)n1-c1ccccn1	794288849	CXUQCGOADCXZQP-UHFFFAOYSA-N	319.355	3.360	10	20	DGCD	
Cc1ccc(O)c(CNCC(C)(C)NC(=O)OC(C)(C)C)c1	83475266	XKABENFVDFHSGF-UHFFFAOYSA-N	308.422	3.094	10	20	DGCD	
COc1ccc(CN[C@@H]2CCC[C@@H](NC(=O)C(C)C)C2)cc1C	980921089	GZOMYRXVOKJTMQ-IAGOWNOFSA-N	318.461	3.177	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCCC2(CCNCC2)C1	1349326514	ZNLBTCRZPFBACY-UHFFFAOYSA-N	301.478	3.027	10	20	DGCD	
C[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCC1	1263273453	CWFABFKQXSZEBK-LLVKDONJSA-N	315.442	3.235	10	20	DGCD	
CO[C@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)c1ccccc1	1606679246	AYPMPCKJOVEYLU-SJKOYZFVSA-N	315.369	3.129	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CC(c3ccccc3)C2)c([N+](=O)[O-])c1	1608661352	UHGORYUTEGFUEE-CLFYSBASSA-N	324.336	3.296	10	20	DGCD	
Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)cc(C(=O)O)c1	1600271726	RJGFRSFIJAYENO-NSHDSACASA-N	314.341	3.282	10	20	DGCD	
CCOc1ccc(N(C)Cc2ccc(-c3nn[nH]n3)c(C)c2)cc1	1590837641	SULIDWBGPXZKGU-UHFFFAOYSA-N	323.400	3.210	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C(=O)O)c2ccccc2C)c1	1599598815	UOGDYZXQZPFCMF-SJCJKPOMSA-N	315.369	3.186	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CC(=O)O)C2CCCCC2)cc1	1777039550	HZXHJGZXAWQDPH-KRWDZBQOSA-N	304.434	3.266	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)ccc1O	154200597	DNNNMCJFFJNJMK-UHFFFAOYSA-N	312.413	3.429	10	20	DGCD	
Oc1ccc(F)cc1CNCc1ccc(Br)o1	188975470	FVOSNRWQYIUDGK-UHFFFAOYSA-N	300.127	3.177	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(Cl)cc(Br)c2O)C1	708135154	WRCOXPLFRYXPLO-JTQLQIEISA-N	320.614	3.029	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	57646714	IBLPDEJGOPRDCY-CHWSQXEVSA-N	307.413	3.079	10	20	DGCD	
Cc1ccccc1CCC(=O)N1CCOc2cc(N(C)C)ccc21	173187265	QPFBKLDLBXXUMC-UHFFFAOYSA-N	324.424	3.419	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)c3ccccc3C)C2)cc1	62574863	PRFNGKVRVUBBCR-MRXNPFEDSA-N	324.424	3.260	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccsc2)c1	171735464	ISOOXALEKIHLBW-JTQLQIEISA-N	306.387	3.023	10	20	DGCD	
C[C@H](Nc1ncc(Br)cn1)c1ccc(N(C)C)cc1	302415726	NJIXSPQNEHLMTD-JTQLQIEISA-N	321.222	3.478	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(Cl)n1	125753774	HFRPQHYXBXPWLG-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
CCN(CC)c1ccc(/C=C2\SC(=S)NC2=O)cc1F	128393175	DOYNDINDRCTJGQ-WQLSENKSSA-N	310.419	3.161	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@]2(CO)CC(C)C)c1	188040400	LJPINGGOLMPEKP-GOSISDBHSA-N	307.434	3.164	10	20	DGCD	
Oc1cc2c(cc1CNc1ccc3ncsc3c1)OCO2	226652009	WBDQTYZWKFDBHZ-UHFFFAOYSA-N	300.339	3.343	10	20	DGCD	
COc1cccc([C@H](CN[C@H](C)c2ccccc2O)N(C)C)c1	192865305	WWAOJVLAYLKEOP-KDOFPFPSSA-N	314.429	3.354	10	20	DGCD	
CN1CCOc2ccc(NCc3c(O)cccc3Cl)cc21	132967521	VUDCRVWOYZMUHO-UHFFFAOYSA-N	304.777	3.486	10	20	DGCD	
C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1c1ccccc1	237438955	DAAXGGGORCDQOE-DNVCBOLYSA-N	308.425	3.464	10	20	DGCD	
Cc1c(CNC(=O)NCC2(C(F)F)CC2)n(C)c2ccccc12	350079985	NSPLPKQMCKMAPO-UHFFFAOYSA-N	321.371	3.331	10	20	DGCD	
CC1CC(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	268063682	ULPCWQZFJQDWCH-UHFFFAOYSA-N	303.450	3.471	10	20	DGCD	
CCOc1cccc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1O	277172835	HXDAKGSNNFGYMG-NWDGAFQWSA-N	318.421	3.273	10	20	DGCD	
C[C@@H](N[C@H](C)c1cc(Cl)c(Cl)cc1O)c1ncn(C)n1	278793770	QNPZHNXNXJXAGZ-HTQZYQBOSA-N	315.204	3.239	10	20	DGCD	
CCN(CC)c1ccc(CNCc2c(C)cnn2C)cc1F	286527761	NMYGJXUPSXOKLA-UHFFFAOYSA-N	304.413	3.004	10	20	DGCD	
OC[C@H](NCc1ccc(N2CCCCC2)cc1)C1CCCC1	386251647	LEOOAVHVDXUKHW-IBGZPJMESA-N	302.462	3.318	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)OC[C@H]1CCCO1	805134906	BUVXOCQSYFZVIC-SNVBAGLBSA-N	320.172	3.104	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCOc1ccc(Cl)cn1)CC2	296916204	PMGUTPXHAYUIJV-ZDUSSCGKSA-N	304.777	3.097	10	20	DGCD	
Cc1ccc(N2C(=O)/C(=C\c3cnccn3)SC2=S)cc1	809153611	ZCFNMVRGRBORSG-MDWZMJQESA-N	313.407	3.191	10	20	DGCD	
O=C1/C(=C/c2cccc3c2OCO3)SC(=S)N1C1CCC1	292399039	WZIMPIXAEVGVRK-GHXNOFRVSA-N	319.407	3.169	10	20	DGCD	
Cc1cc(C)c([C@H](C)Nc2ccc(OCC(N)=O)cc2)c(O)c1	294590786	CUDQZMBIXFFCPG-ZDUSSCGKSA-N	314.385	3.046	10	20	DGCD	
COc1ccc(N(C)Cc2c(C)cc(C)nc2OC)cc1F	805743107	QENYWNZXEUEWOV-UHFFFAOYSA-N	304.365	3.491	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1O	815583039	VNHUGXZMNCUXPU-KBVBSXBZSA-N	323.380	3.174	10	20	DGCD	
CC[C@H](N[C@H](C)c1ncc(C(=O)OC)s1)c1ccccc1O	818355063	BBRSOCHCDKVFMA-PWSUYJOCSA-N	320.414	3.437	10	20	DGCD	
NCC(F)(F)CN[C@@H](CCc1ccccc1)c1ccccc1O	817968410	RWOIUJYHGPPKAT-INIZCTEOSA-N	320.383	3.250	10	20	DGCD	
CC(C)(C)[S@@](=O)CCNCc1ccc2ccccc2c1O	816552617	QYQMIUQXUNFCGC-NRFANRHFSA-N	305.443	3.182	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3CNC[C@H]3C2)c2c(O)ccc(F)c21	817985090	ABZXAGCRHJYLSG-HVNMYJMUSA-N	304.409	3.057	10	20	DGCD	
Oc1ccc(CCN=c2cc[nH]c3ccc(Cl)cc23)cc1O	811811436	UPOKUKPYYHWSMZ-UHFFFAOYSA-N	314.772	3.376	10	20	DGCD	
COC1([C@H](C)N[C@H](C)c2cc(Cl)ccc2O)CCOCC1	817587665	HDCVZRPLRYVVJW-NEPJUHHUSA-N	313.825	3.280	10	20	DGCD	
COc1ccc(NC(=S)NCc2ccccc2O)cc1F	726487305	CPULCHHZKRBVCQ-UHFFFAOYSA-N	306.362	3.027	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1c(C)noc1Cl	727170326	LXTLFXGZUDXQHF-UHFFFAOYSA-N	322.792	3.323	10	20	DGCD	
Oc1cc(Br)ccc1CNc1ccnn1CC1CC1	825358989	WAZDJNTVTGCADF-UHFFFAOYSA-N	322.206	3.373	10	20	DGCD	
Cc1cc(O)c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1Cl	826023916	KZFNRBWYERPTQD-IRXDYDNUSA-N	307.821	3.497	10	20	DGCD	
C[C@H](NCC[C@H](O)C1CC1)c1ccc(N2CCCCC2)cc1	903406453	VOIOXWSWBVGNGK-KXBFYZLASA-N	302.462	3.489	10	20	DGCD	
CC1CCN(c2ccc(CNC[C@](C)(O)C(F)F)cc2)CC1	905102394	SJYBPMDXZODUED-KRWDZBQOSA-N	312.404	3.029	10	20	DGCD	
N[C@H](CC(F)F)CN1CCCc2cc(OC(F)(F)F)ccc21	903903571	VRLCGNGSPZKJSI-SNVBAGLBSA-N	324.293	3.320	10	20	DGCD	
CCN(CC)Cc1ccccc1CNC(=O)c1cc(O)cs1	731865464	KLIIFDCNXFQTBO-UHFFFAOYSA-N	318.442	3.226	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@H](C2CCC2)CC1	830559090	IWTKNYHHDUOPRC-SHTZXODSSA-N	303.402	3.321	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(CC(C)C)c[nH]2)c1	839650965	PIWPWLWYJDABLY-LBPRGKRZSA-N	316.401	3.418	10	20	DGCD	
CCO[C@@H](CC)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	919976954	XISAUTNZXPPVMA-KRWDZBQOSA-N	306.450	3.306	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c1	748972337	PUZVEYROGVOSFL-WFASDCNBSA-N	320.433	3.415	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](CO)c2ccc(F)cc2)c(O)c1	840882040	SEHREWHBQPPTDP-UKRRQHHQSA-N	303.377	3.266	10	20	DGCD	
COc1cccc([C@H](C)NC[C@](C)(O)C2CCCCC2)c1O	846165038	KMHVMJGNBXMZJJ-UGSOOPFHSA-N	307.434	3.383	10	20	DGCD	
CC1(C)C[C@]1(CNC(=O)Cc1ccc(N)cc1)c1ccccc1	852931037	RDGBTJNJWGRDBC-FQEVSTJZSA-N	308.425	3.295	10	20	DGCD	
COc1cccc([C@H](O)CN[C@H](C)c2cc(F)cc(F)c2O)c1	756563014	KXGMJTGNTKLQFY-QLJPJBMISA-N	323.339	3.063	10	20	DGCD	
CC[C@@H](O)CCCN[C@H](C)c1ccc(Br)cc1O	756734027	UPPBHURMPKVLJX-ZYHUDNBSSA-N	316.239	3.356	10	20	DGCD	
C[C@H](CN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21)CN1CCCC1	756422845	MQEIWGAAAJPSOM-NFAWXSAZSA-N	306.425	3.401	10	20	DGCD	
COc1cc(CN[C@@H]2CCCOCC2)c(O)c(C(C)(C)C)c1	850238509	HSNKPHYLGSHADA-CQSZACIVSA-N	307.434	3.357	10	20	DGCD	
CCc1cc(CN[C@H](C)c2ccc(Br)cc2O)n[nH]1	756574057	MMYFWSKIAMOJJA-SECBINFHSA-N	324.222	3.291	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1(C)C	761226436	QBHGMIHNSILEHK-INIZCTEOSA-N	302.462	3.391	10	20	DGCD	
COc1cccc([C@@H](CNCc2c(C)cccc2O)N(C)C)c1	876885918	RTKNXQWXPSXEIN-GOSISDBHSA-N	314.429	3.102	10	20	DGCD	
CCc1n[nH]c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1	1116290225	DFHAHTJCIUGLSU-UHFFFAOYSA-N	309.373	3.027	10	20	DGCD	
Cc1ccc(CNC[C@@H](O)c2ccc(OC(C)C)cc2)c(O)c1	877042084	MGFZQALSIDRXOO-LJQANCHMSA-N	315.413	3.311	10	20	DGCD	
Cc1cccc(O)c1CN1CCC(C(=O)OC(C)(C)C)CC1	876684505	PAQBVJOTKCDHHU-UHFFFAOYSA-N	305.418	3.254	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@H]1CCCS1)c1ccc(N(C)C)cc1	773375800	MDMUKFQWLMEGGH-DOMZBBRYSA-N	307.463	3.008	10	20	DGCD	
C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1	779489731	SRZYVSZFMIJSGP-TZNOJPMFSA-N	315.394	3.318	10	20	DGCD	
COc1cc(O)c(CN2CC[C@H](C)C3(CCC3)C2)cc1OC	770671022	WEDZATZORCXKJU-ZDUSSCGKSA-N	305.418	3.422	10	20	DGCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCOC1	780713246	BJTIOAKPKQXCDL-DOTOQJQBSA-N	320.502	3.145	10	20	DGCD	
CC[C@@](C)(CC(=O)OC)NCc1c(O)ccc(Cl)c1F	790973584	ODSFRZRVWMRQCU-AWEZNQCLSA-N	303.761	3.006	10	20	DGCD	
COc1ccc(CNC(=O)Cc2ccc(C)cc2Cl)c(O)c1	794378327	UXKGNAPDCHXNFW-UHFFFAOYSA-N	319.788	3.222	10	20	DGCD	
c1ccc(CN2CC[C@@H](CNCc3ccc4c(c3)CCO4)C2)cc1	192932262	FCPIPKLZFHMWEW-IBGZPJMESA-N	322.452	3.233	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@@H]1CCC(F)(F)C1	795093926	AZPYQUFSRFKOSV-SECBINFHSA-N	306.403	3.177	10	20	DGCD	
C[C@@H](NCc1cc(C(F)(F)F)n[nH]1)c1ccc(N(C)C)cc1	799342419	IMFIXUPYOYMOLD-SNVBAGLBSA-N	312.339	3.345	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)CC(=O)OC(C)(C)C)c1O	1319943805	FCMNXNPPASJUEI-LBPRGKRZSA-N	309.406	3.001	10	20	DGCD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(Cc2ccc(N4CCCC4)cc2)[C@H]31	1343287879	YOYVLWFSEHPQOT-FLFBIERCSA-N	312.457	3.142	10	20	DGCD	
Cc1c(NC(=O)N(C)Cc2ccccc2O)cccc1C(=O)O	1600033671	GACHNXKPGZTJOC-UHFFFAOYSA-N	314.341	3.063	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)cc1	1580443294	WAMPTAJLGPFSJC-GOEBONIOSA-N	300.789	3.137	10	20	DGCD	
CC(C)C[C@H](CC(=O)O)NCc1cc(F)c(N(C)C)cc1F	1776337210	HYMGJHHRNXPZHH-GFCCVEGCSA-N	314.376	3.010	10	20	DGCD	
CN(Cc1cc(Cl)cc(C(=O)O)c1)c1ccc2c(c1)OCO2	1777067395	FOUGOFMDGLWDQP-UHFFFAOYSA-N	319.744	3.403	10	20	DGCD	
COc1cc(CN(C)Cc2cnn(C)c2)c(O)c(C(C)(C)C)c1	163999244	ATWNCUZGQYSBSZ-UHFFFAOYSA-N	317.433	3.064	10	20	DGCD	
O=C(O)c1cnc(Sc2ccc(C(F)(F)F)cn2)s1	311528400	FDDBBPSXLXLITP-UHFFFAOYSA-N	306.290	3.406	10	20	DGCD	
C[C@@H](NCCC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	877755854	OPCZSTJADKRYKV-CYBMUJFWSA-N	320.433	3.300	10	20	DGCD	
CCc1cccc(NC(=S)NNc2ccc(C(=O)O)cc2)c1	7350358	JLUWRDSAHTWKSW-UHFFFAOYSA-N	315.398	3.261	10	20	DGCD	
CN(C)c1ccc(CNCC2=Cc3ccccc3OC2)cc1F	102425612	NMHWUGRLDZGKIQ-UHFFFAOYSA-N	312.388	3.457	10	20	DGCD	
CCc1ccc([C@H](C)C(=O)NCc2cc(OC)ccc2O)cc1	114542422	QLYYYHFMBBTHRJ-ZDUSSCGKSA-N	313.397	3.383	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2ccccc2C1	115854698	BBZORSVQZHSTGU-UHFFFAOYSA-N	323.440	3.329	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(SC)cc2)c1	114567904	VXUXVMSCVGCDRQ-UHFFFAOYSA-N	318.398	3.444	10	20	DGCD	
CCN(CCCOC)Cc1cc(Br)ccc1O	76118520	DXMKUUPDZCCGGQ-UHFFFAOYSA-N	302.212	3.013	10	20	DGCD	
COC(=O)[C@H](NCc1cccc(C)c1O)c1ccc(F)c(C)c1	189595467	RFTVTUAEWWWHIP-MRXNPFEDSA-N	317.360	3.152	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1	185442342	CQFMXTSAMCDACV-KBPBESRZSA-N	320.433	3.361	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1O	187804677	GEEJYFPIUNLUDC-ZMZPIMSZSA-N	319.351	3.155	10	20	DGCD	
COc1cc(O)c(CN(C)C[C@@H](C)c2nccs2)cc1OC	182849218	AZYLFABWXKRSIU-LLVKDONJSA-N	322.430	3.101	10	20	DGCD	
Oc1ccccc1CN(CCCn1ccnc1)Cc1ccco1	182897862	SCWDSXIYEPUCRE-UHFFFAOYSA-N	311.385	3.274	10	20	DGCD	
CN(c1ccc(CNC(=O)C2CC(=O)C2)cc1)C1CCCCC1	136692447	WIDKEWGCDNRINW-UHFFFAOYSA-N	314.429	3.051	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1	324210688	NZJAIFYDVOMSMK-STQMWFEESA-N	324.428	3.334	10	20	DGCD	
CC[C@@H]1CO[C@H](C)CN1Cc1cccc(Br)c1O	131495232	KTZRSXYOOLSPHH-ZYHUDNBSSA-N	314.223	3.154	10	20	DGCD	
COCCCOCCN(C)Cc1cc(C(C)C)c(C)cc1O	91026075	VBPRMSLFGVSUIW-UHFFFAOYSA-N	309.450	3.309	10	20	DGCD	
CCCC(=O)NC[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	92707683	IUDWHYHMGGAAIS-CYBMUJFWSA-N	324.852	3.174	10	20	DGCD	
Oc1cc2c(cc1CN1CCc3c([nH]c4ccccc34)C1)OCO2	93759005	XPRYJQIZATZGJM-UHFFFAOYSA-N	322.364	3.161	10	20	DGCD	
CCOC(CCN[C@H](C)c1cc(Cl)ccc1O)OCC	276457958	BQRAJHYGJZIODZ-LLVKDONJSA-N	301.814	3.485	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cn2cccnc2n1	270886535	OIHXZFHXJXOWSC-UHFFFAOYSA-N	308.385	3.081	10	20	DGCD	
C[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1	271512916	NILWQJZOCOHSLV-RDTXWAMCSA-N	316.420	3.146	10	20	DGCD	
CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCO1	376803167	DXMYGNGLZKCAGS-RBUKOAKNSA-N	318.461	3.211	10	20	DGCD	
COc1cccc(CN2CCC(n3cc(Cl)cn3)CC2)c1O	371672516	UFFUGGYOZGPRMF-UHFFFAOYSA-N	321.808	3.088	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)C(C)(C)n2cncn2)cc1	283832475	AQFWPYVYZSIGQL-HNNXBMFYSA-N	315.465	3.038	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1nnc2n1CCCC2	282398237	HMFJOTONAUCHJO-UHFFFAOYSA-N	314.433	3.122	10	20	DGCD	
COCCOCc1ccc(CNCc2cc(C)ccc2O)cc1	291022093	GXVIMFRYFIYPMK-UHFFFAOYSA-N	315.413	3.153	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)C1CCN(C)CC1	396471548	XQUXJNZHALZMJS-INIZCTEOSA-N	301.478	3.107	10	20	DGCD	
CC[C@@H](NCc1cnnn1C)c1ccc(Cl)c(Cl)c1O	806659993	MFLQWJDRZYPKQF-LLVKDONJSA-N	315.204	3.068	10	20	DGCD	
COc1cccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1O	291779572	UTIDBJLQTFSEJQ-UHFFFAOYSA-N	316.357	3.334	10	20	DGCD	
Cn1ccnc1[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	816593408	QTVZEZNNFKXJNP-LLVKDONJSA-N	323.799	3.298	10	20	DGCD	
CC[C@@H](CNC(=O)N(C)Cc1ccc(N(CC)CC)cc1)OC	811968188	DLLXZNAVGQUCKL-KRWDZBQOSA-N	321.465	3.099	10	20	DGCD	
CCCc1nc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1	816180302	KMUHYEKQPJOUTR-GFCCVEGCSA-N	315.417	3.493	10	20	DGCD	
CCCC[C@H](CN)N[C@H](C)c1cc(Br)ccc1O	817961682	CGVNXSPYRLWYEF-ZYHUDNBSSA-N	315.255	3.323	10	20	DGCD	
Oc1ccc2c(c1CNc1cc(N3CCCC3)ncn1)CCCC2	811809117	YIDWHPOKDMHVMV-UHFFFAOYSA-N	324.428	3.273	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](CC(C)(C)C)NC	828145026	TXPBEPUHZRUQAX-OAHLLOKOSA-N	306.450	3.155	10	20	DGCD	
C=Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1	821190976	IVWMDOXWEBAGGL-UHFFFAOYSA-N	309.774	3.489	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1F	728820234	GEOHYYIKPMGYHS-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
Cc1cc(O)c(CNCCC(=O)N2CCCCCC2)cc1Cl	825423095	XBZIZPJCSIVURM-UHFFFAOYSA-N	324.852	3.236	10	20	DGCD	
CN(C)CCCCC(=O)NCc1ccc(N2CCCCC2)cc1	729527458	OEIJQJJHMBNMGW-UHFFFAOYSA-N	317.477	3.025	10	20	DGCD	
CC(C)[C@@H](N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21)c1nncn1C	903067140	ZAOMYFRKGIUWTM-NSODJVPESA-N	318.396	3.195	10	20	DGCD	
O=C(Nc1ccc(N2CCCCC2)nc1)c1cc(O)cs1	732263340	CVNWQOCYKNOLNJ-UHFFFAOYSA-N	303.387	3.091	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1C[C@@H]2CCCN2c2ccccc21	491531688	HXKKDEPRHOKHQF-PTZVLDCSSA-N	323.371	3.250	10	20	DGCD	
CN(C)c1ccc(CN(c2ncnc3[nH]ccc23)C2CC2)cc1	733188173	JYVRLRCCCPBLGZ-UHFFFAOYSA-N	307.401	3.193	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccsc1	839917039	YHIKYGYPAWMVEL-CYBMUJFWSA-N	302.443	3.484	10	20	DGCD	
O=C(O)Cc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1	911229528	VJLVMDOAWXGNRR-UHFFFAOYSA-N	324.380	3.166	10	20	DGCD	
CO[C@H]1C[C@H](NCc2cc(Cl)cc(C(C)=O)c2O)C12CCC2	839189654	BHAKAHVSWZGGGG-GJZGRUSLSA-N	323.820	3.295	10	20	DGCD	
CCOc1ccc(C[C@H](C)CNC(=O)c2cc(O)cs2)cc1	839792138	NOUDMKRTWGFPRD-LBPRGKRZSA-N	319.426	3.461	10	20	DGCD	
COc1ccc(N(Cc2cn3cccnc3n2)CC(C)C)cc1	746170082	MLJRQLRWHDMHRZ-UHFFFAOYSA-N	310.401	3.401	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)COCC(F)(F)F)c1O	846142429	TWARYYXRBYMPFK-UWVGGRQHSA-N	307.312	3.019	10	20	DGCD	
CCOc1ccc(CN[C@@H](CO)CC2CCCCC2)c(O)c1	841893083	DSELCACQYFMVHE-MRXNPFEDSA-N	307.434	3.212	10	20	DGCD	
COc1ccc(O)c(CNCCC[C@H]2CC2(Cl)Cl)c1	846108424	DGRMNDNVUNZKDL-NSHDSACASA-N	304.217	3.464	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](C)N2CCC(C)CC2)c1O	846142741	VUCSIPPKGYJTJS-GJZGRUSLSA-N	306.450	3.172	10	20	DGCD	
C[C@H]1C[C@@H](N[C@@H]2CCCC(F)(F)[C@H]2O)c2c(O)ccc(F)c21	840886657	KQHXSBSUPMVGRN-DOKDZLDGSA-N	315.335	3.218	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(F)c(Cl)c1	929527975	ZKRJXRQZKURDLA-UHFFFAOYSA-N	321.783	3.212	10	20	DGCD	
Cc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)o1	753918627	NLMBQONHEDGERI-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
CC1(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1	753026305	UFYCMUUCGXHRQL-UHFFFAOYSA-N	314.385	3.497	10	20	DGCD	
CN(CC=C(Cl)Cl)Cc1ccc(N2CCOCC2)cc1	851716376	LTZVXAMKNZJMIC-UHFFFAOYSA-N	315.244	3.274	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2c3ccccc3C[C@H]2O)c2c(O)ccc(F)c21	756641360	VBKBWIPSKXSEFO-JMHDJWDWSA-N	313.372	3.328	10	20	DGCD	
CCC(=O)c1cc(C(=O)NCc2ccccc2O)ccc1F	757099992	GPRPEAWZMWMUIE-UHFFFAOYSA-N	301.317	3.054	10	20	DGCD	
C[C@@]1(Cc2ccccc2)CCCN1C(=O)Cc1ccc(N)cc1	852899288	GLOJZGFELNCTBK-FQEVSTJZSA-N	308.425	3.435	10	20	DGCD	
C[C@H](NCC(C)(C)N1CCCCC1)c1cc([N+](=O)[O-])ccc1O	756343529	OXUYWHDUAGVOCM-ZDUSSCGKSA-N	321.421	3.216	10	20	DGCD	
CCO[C@H](C)c1noc(CN(C)Cc2cc(C)cc(C)c2O)n1	754742166	RBQGHLIKPJMBOW-CYBMUJFWSA-N	319.405	3.122	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2	760156782	GPJAIWHJSQEFLH-GUDVDZBRSA-N	314.473	3.498	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cccnc2OC(C)C)c1	860466287	RLXGZFQAOFALTJ-UHFFFAOYSA-N	315.373	3.205	10	20	DGCD	
C[C@H](NCc1nn(C)c2ccccc12)c1cc(F)cc(F)c1O	760895484	AJGPUTZIFZPEES-JTQLQIEISA-N	317.339	3.408	10	20	DGCD	
CCc1nc([C@H]2CCCCN2Cc2ccc(C)cc2O)no1	876628780	VIEWRTCXAFYUOS-CQSZACIVSA-N	301.390	3.373	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(F)nc1)c1ccc(N(C)C)cc1	775680769	GGTVYIAWPDPUQS-LLVKDONJSA-N	302.353	3.169	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCc2cnns2)cc1	779249755	LXXAIIBJFQGCNZ-UHFFFAOYSA-N	313.382	3.303	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cnc(C3CC3)o2)cc1	878300397	JDADMXJOJIXOBD-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
CC[C@@H](NCc1cc(OC)ccc1O)[C@@H](O)c1ccccc1	877832174	HLBYRNAPMJARMY-AEFFLSMTSA-N	301.386	3.003	10	20	DGCD	
CCC(=O)N1CC[C@H](N[C@H](CC)c2cc(Cl)ccc2O)C1	775513116	GGHNFVAXLKWBAY-GXTWGEPZSA-N	310.825	3.097	10	20	DGCD	
CC(C)c1cc(NS(=O)(=O)c2cnn(C(C)C)c2)ccc1O	882799005	MAENCOWLLSUZAU-UHFFFAOYSA-N	323.418	3.094	10	20	DGCD	
CC(C)OCC[C@H](O)CN(Cc1ccc(N(C)C)cc1)C(C)C	788069341	ZZVHTJZAZIBCME-IBGZPJMESA-N	322.493	3.139	10	20	DGCD	
COc1cccc(CNCc2ccc(OC)c(OC)c2O)c1C	895468653	ZEGLUNATHLWUKZ-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
COc1ccc(CN2CCc3c(F)cccc3C2)c(O)c1OC	892003512	BYTDTZHOEKOVCA-UHFFFAOYSA-N	317.360	3.107	10	20	DGCD	
CCOCc1nc(C)cc(NCc2cc(Cl)ccc2O)n1	894395923	JWNNJJVRZYUNSQ-UHFFFAOYSA-N	307.781	3.293	10	20	DGCD	
O=C(Nc1ccc(OC2CCCC2)nc1)c1cccc(O)c1O	790629990	QZQMJIWSPQXMCK-UHFFFAOYSA-N	314.341	3.067	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCC(F)(F)C1	795138263	YKMKMYIVCPKFMA-LBPRGKRZSA-N	309.356	3.323	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(CCc3ccccc3)CC2)c1	798229334	WPQGCJZZRVAGSQ-UHFFFAOYSA-N	324.468	3.369	10	20	DGCD	
CC[C@@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(F)cc1O	796819440	XNGJNFIXYZURFW-CVEARBPZSA-N	307.340	3.445	10	20	DGCD	
CC(C)[C@@H]1C[C@H](NCc2c(O)ccc(Cl)c2F)CCO1	790982735	XNACOSFLAXEYFG-YGRLFVJLSA-N	301.789	3.478	10	20	DGCD	
C[C@H](NCCc1ccc(N(C)C)cc1)c1cc(F)ccc1O	1320119236	YICDRMXSQGATFV-ZDUSSCGKSA-N	302.393	3.491	10	20	DGCD	
O=C(NCCCSc1nccs1)N1CC2CCC1CC2	1254099203	XZDOFOIQUIZDHI-UHFFFAOYSA-N	311.476	3.209	10	20	DGCD	
CO[C@H](CNCc1cc(F)c(N(C)C)cc1F)C(C)(C)C	1261787037	BAOXXOFDUNMIJW-OAHLLOKOSA-N	300.393	3.182	10	20	DGCD	
CC(C)OC(=O)C[C@@H](NCc1ccc(N)cc1)c1ccccc1	1345159282	FCOCRXCDRMUYKR-GOSISDBHSA-N	312.413	3.441	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC1CCC2(CCOCC2)CC1	1262030762	VTNYIZQFNVXWLL-UHFFFAOYSA-N	311.372	3.499	10	20	DGCD	
O=C(O)c1c[nH]c2cc(NCc3ccc(F)c(F)c3O)ccc12	1608832664	ZDFKVZKLPFPWHT-UHFFFAOYSA-N	318.279	3.462	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CNc2nncn2C)cc1	162107934	QFZQAXSILMINJL-UHFFFAOYSA-N	321.428	3.454	10	20	DGCD	
COc1ccc(/C=C/C(=O)NCc2ccc(N(C)C)cc2)cc1	8170725	FMGRCEFQSFNYMM-MDWZMJQESA-N	310.397	3.091	10	20	DGCD	
Cc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cn1	153695972	RORIMBSSFZJUIU-SFHVURJKSA-N	312.413	3.277	10	20	DGCD	
CCCN1CCC(N(C)Cc2cc(F)cc(C(C)=O)c2O)CC1	177281020	KWBIHRZSUUSLGQ-UHFFFAOYSA-N	322.424	3.040	10	20	DGCD	
COc1cc2c(cc1OC)CN(Cc1cc(F)ccc1O)CC2	179881273	QIIHWLRNZXAVKV-UHFFFAOYSA-N	317.360	3.107	10	20	DGCD	
COc1ccc(N2CCCN(c3ccc(Cl)cn3)CC2)cc1	78653529	JJZCUKVHVVQDSS-UHFFFAOYSA-N	317.820	3.460	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)c1ccc(S(C)(=O)=O)cc1	183454557	MEMRDQCVXLRMMR-QWHCGFSZSA-N	319.426	3.208	10	20	DGCD	
CC(C)N1CC[C@@H](N[C@H](C)c2ccc3ccccc3c2O)C1=O	186048186	NINODEFMXMBVNH-CXAGYDPISA-N	312.413	3.205	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)NC(CC)CC	76074119	CVJDXSTVTCSARS-CQSZACIVSA-N	306.450	3.298	10	20	DGCD	
C[C@@H](NCCNC(=O)CC1CCCCC1)c1ccccc1O	183604368	FJMYGKAPJGYVKN-CQSZACIVSA-N	304.434	3.129	10	20	DGCD	
Cc1c(CN[C@H](C)c2cc(Br)ccc2O)cnn1C	186187829	WJTDVGUWPASUTG-SECBINFHSA-N	324.222	3.047	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cccc([N+](=O)[O-])c2)c1	194683704	ZXEFJTHSFIFQBQ-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
CCC(CC)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	194940727	VNCMYVSWLIAPNX-INIZCTEOSA-N	305.418	3.336	10	20	DGCD	
C[C@H]1CCN(C(=O)/C=C\c2cnn(C)c2)c2ccccc2S1	96794755	BMGZSTHTGOZGAB-WSROAFLRSA-N	313.426	3.351	10	20	DGCD	
Cc1ccc(C)c(C(=O)Nc2cccc(N3CCOCC3)c2)c1	96733723	SZVUMDSYNGVIJT-UHFFFAOYSA-N	310.397	3.392	10	20	DGCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)[C@@H](c2ccccc2)CO1	246048061	XSUDRRDKMNUFOU-CXAGYDPISA-N	301.361	3.493	10	20	DGCD	
CC1(c2ccccc2)CC(NC(=O)NCc2ccccc2O)C1	264404932	PSLIIVBDODHLQH-UHFFFAOYSA-N	310.397	3.312	10	20	DGCD	
Cc1ncccc1CC(=O)NCc1c(C)c2ccccc2n1C	355481134	RHGNLCIBFHEOKL-UHFFFAOYSA-N	307.397	3.049	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(C(=O)OC)o2)cc1	265250328	XVYIOKJUSJAMBE-UHFFFAOYSA-N	316.401	3.202	10	20	DGCD	
CCCOc1ccc(CNC[C@](C)(O)c2ccccc2)c(O)c1	265117440	DMENTFKDFZAGQW-IBGZPJMESA-N	315.413	3.178	10	20	DGCD	
CCN(Cc1ccc(CO)cc1)c1ccc(OC)c(OC)c1	272199967	AJWATIUFSWSZAX-UHFFFAOYSA-N	301.386	3.223	10	20	DGCD	
CCc1cccc(N(C)C(=O)c2c[nH]nc2-c2cnn(CC)c2)c1	457327036	NAZSXVIVKMFKPH-UHFFFAOYSA-N	323.400	3.132	10	20	DGCD	
COc1ccc(OC)c(CN[C@@H](C)c2cc(OC)ccc2O)c1	271711978	ONFIVJMPDRMSSO-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
Cc1cnccc1OC1CCN(Cc2cc(F)ccc2O)CC1	373236325	HOLJGWWBKLBASR-UHFFFAOYSA-N	316.376	3.278	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCNC(=O)c2ccco2)c1O	808673799	UMSLWJOIEUTADU-LLVKDONJSA-N	322.792	3.028	10	20	DGCD	
Cc1ccc(O)c(CN2C[C@H](C)C(=O)N(C)c3ccccc32)c1	809786372	ZKNISKPLQYDDNM-AWEZNQCLSA-N	310.397	3.320	10	20	DGCD	
Cc1cc(CNCc2cc(F)ccc2O)cc(N2CCCC2)n1	291606907	QSWAOWSNXCXXHV-UHFFFAOYSA-N	315.392	3.125	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NOCc1ccccc1	297717603	YZFIPHDFBPJLCW-UHFFFAOYSA-N	313.401	3.026	10	20	DGCD	
Cc1cnc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)o1	813799662	NMZZVJCJJQBFTR-UHFFFAOYSA-N	323.396	3.363	10	20	DGCD	
CCOCCO[C@H]1CCN(Cc2ccc3ccccc3c2O)C1	816521167	JBDDAJADXCZBMX-KRWDZBQOSA-N	315.413	3.173	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H](c2ccccc2)C2CC2)cc1	817942610	PWBBQWVDUSEMOG-WOJBJXKFSA-N	309.457	3.493	10	20	DGCD	
CNCCCN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C	818015294	VNTCNXSHAYFBTQ-UHFFFAOYSA-N	313.445	3.084	10	20	DGCD	
CC[C@H](C)[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	817923521	LFCWLLCZTMMHKN-RYUDHWBXSA-N	317.458	3.481	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)[C@@]3(C)CCCO3)C2)cc1	818343181	ZBKAGAATRISUCD-FRQCXROJSA-N	318.461	3.069	10	20	DGCD	
CC1(C)CCC[C@@]1(O)CNCc1c(O)ccc(Cl)c1F	815147801	WMEWZYXDZZNZTA-OAHLLOKOSA-N	301.789	3.216	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@H]2CNC[C@H]2C1)c1cccc(Cl)c1O	817987345	SUUWCANCBHPJEL-VLXAULBPSA-N	308.853	3.474	10	20	DGCD	
Oc1cc2c(cc1CN[C@@H](c1cccs1)C1CC1)OCO2	725843943	HZQZAMJBMFMRSU-MRXNPFEDSA-N	303.383	3.423	10	20	DGCD	
Cc1cc([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)oc1C	817941873	LHYQUQDMFGWJEB-CXAGYDPISA-N	301.434	3.313	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNc1cc2c(cn1)CCCC2	812345490	ATRNMNOOZXYKHR-UHFFFAOYSA-N	323.440	3.409	10	20	DGCD	
Cc1cc(CN2CC[C@@H](C)[C@H]2CO)ccc1N1CCCCC1	829121349	TXUSSRIJHDCEDQ-DNVCBOLYSA-N	302.462	3.188	10	20	DGCD	
CC[C@@]1(C(=O)O)CCCN(Cc2c(O)cc(C)cc2Cl)C1	904398409	OSLXQTLJLAVCBA-MRXNPFEDSA-N	311.809	3.431	10	20	DGCD	
Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc(O)cs2)c1	731909669	INJHOJUNUVLKJV-LLVKDONJSA-N	319.382	3.255	10	20	DGCD	
C[C@@H](N[C@H](c1ccncc1)C1CC1)c1cc([N+](=O)[O-])ccc1O	903427740	JKFMKIZQALKWKY-DIFFPNOSSA-N	313.357	3.497	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(Cl)s1	588405340	DAGXIGIEPINIPV-KXFIGUGUSA-N	309.774	3.142	10	20	DGCD	
O=C(O)CN(Cc1cc2oc3ccccc3c2cc1O)C1CC1	738607717	QOAGMIAKYXZWQQ-UHFFFAOYSA-N	311.337	3.341	10	20	DGCD	
CCOc1ccc([C@H]2NC(=O)c3c(Cl)cccc3N2)c(O)c1	742444438	KTSSTUWKZCJCPR-OAHLLOKOSA-N	318.760	3.298	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCCC[C@H]2CCC(=O)O)cc1	841813040	SLVUYVPNWNZEIH-DOTOQJQBSA-N	304.434	3.266	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1nccnc1C	840895165	WAHXZJCXNCKPCW-GOEBONIOSA-N	312.461	3.441	10	20	DGCD	
c1csc(SCCCNc2ncc3c(n2)CCCC3)n1	840259977	GUOMPSWNMPCYGN-UHFFFAOYSA-N	306.460	3.406	10	20	DGCD	
CC[C@@H](N[C@@H]1COC[C@@H]1OC)c1ccc(Cl)c(Cl)c1O	840826788	VVQHNYBMRWKPMH-UTUOFQBUSA-N	320.216	3.154	10	20	DGCD	
CN1CCC[C@]2(CCN(Cc3cc4c(cc3O)CCCC4)C2)C1	840085982	JIDGCIIPMLNDKU-FQEVSTJZSA-N	314.473	3.189	10	20	DGCD	
CCn1nc(C)c(NC(=O)NCc2cc(Cl)ccc2O)c1C	844604825	XGQBFOIUICDUPI-UHFFFAOYSA-N	322.796	3.201	10	20	DGCD	
CCc1nc(CN(C)CCN(C)c2ccc(OC)cc2)cs1	844399159	HPKKXAAQVWXJPB-UHFFFAOYSA-N	319.474	3.282	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H](C)C1	840479625	PWJSIIUKKRSIMO-DZGCQCFKSA-N	303.450	3.043	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCc3ccccc3NC2=O)c(O)c1	848559201	QLOVLAPNQUDHAC-SUMWQHHRSA-N	310.397	3.305	10	20	DGCD	
CC1CCN([C@H](CNC(=O)Nc2ccc(N)cc2)C(C)C)CC1	841301838	FNOGARGOHOOLNY-QGZVFWFLSA-N	318.465	3.147	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@](C)(O)C2CCCCC2)c1O	846165036	KMHVMJGNBXMZJJ-SCLBCKFNSA-N	307.434	3.383	10	20	DGCD	
CC(C)c1ccc([C@@H](N)CNCc2cc(F)ccc2O)cc1	841034934	FJJIGRHHHMEQMQ-KRWDZBQOSA-N	302.393	3.444	10	20	DGCD	
CCOc1ccc(N(CC)Cc2cc(=O)n3ccccc3n2)cc1	746159493	UIKQYXNIYPFMDM-UHFFFAOYSA-N	323.396	3.120	10	20	DGCD	
CCCCC[C@@H](C)NC(=O)CN(C)c1ccc(OC)c(F)c1	757850969	ANESGBHTNUFXIB-CYBMUJFWSA-N	310.413	3.356	10	20	DGCD	
OC1CCN(c2ccc(CNC/C=C\c3ccccc3)cc2)CC1	850405851	HMLWZNLAJMKEDI-DAXSKMNVSA-N	322.452	3.451	10	20	DGCD	
C[C@H](CCCC(F)(F)F)NC(=O)/C=C\c1ccc(O)c(O)c1	757647141	OIGNTXBRAPDXGN-ONRRBMGISA-N	317.307	3.348	10	20	DGCD	
C[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1	858199310	IGWZOCZWLNTYJT-CQSZACIVSA-N	300.402	3.498	10	20	DGCD	
C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1O	756713065	SPVADNMRZFGIIX-PRXAMGSTSA-N	321.367	3.486	10	20	DGCD	
COCCCCN[C@H](C)c1cc(Br)c(F)cc1O	756424165	ULGAPCYBVSGAGX-SECBINFHSA-N	320.202	3.371	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2cnn(CC(F)(F)F)c2)c1	756659186	PAWAJGOTVASKQH-NSHDSACASA-N	313.323	3.310	10	20	DGCD	
CC(C)CCOC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	858887398	VOFOTDJDIORYLH-UHFFFAOYSA-N	320.433	3.138	10	20	DGCD	
CC[C@H](CC(F)(F)F)NC(=O)NCc1cc(C)ccc1O	858362046	LYFJWEOEPGGDDT-LLVKDONJSA-N	304.312	3.231	10	20	DGCD	
CC(C)[C@@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccccc1	758548160	POPNDIUOYQYLCN-QGZVFWFLSA-N	314.337	3.162	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC=C(F)C2)cc1	764686535	VQVZBGRUBOJSST-UHFFFAOYSA-N	305.397	3.302	10	20	DGCD	
CCCOCC(=O)NCc1cc(C)n(-c2ccccc2)c1C	863165423	YZAVYEFHLIEZHJ-UHFFFAOYSA-N	300.402	3.137	10	20	DGCD	
CN(Cc1ccc(N(C)C)c(F)c1)Cc1ccc2c(c1)OCO2	768198559	VKUJHSXWJCESQO-UHFFFAOYSA-N	316.376	3.252	10	20	DGCD	
CCCn1cc(CN(C)Cc2ccc(N(CC)CC)cc2)nn1	876551421	RBTYUANUOHDIDK-UHFFFAOYSA-N	315.465	3.166	10	20	DGCD	
Cc1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c(O)c1	876811576	LIILZWLXWIVCGA-QAPCUYQASA-N	300.446	3.149	10	20	DGCD	
Cc1cccc(O)c1CNc1cccc(CS(C)(=O)=O)c1C	876827185	LKAVVSQMFDZXBI-UHFFFAOYSA-N	319.426	3.166	10	20	DGCD	
Cc1cccc(O)c1CNc1cccc(CN2CCCC2=O)c1	876822407	WVKACBLEAQFDTG-UHFFFAOYSA-N	310.397	3.435	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cc2n[nH]cc12	779623928	XLUGSJSWWAPGDU-UHFFFAOYSA-N	323.400	3.259	10	20	DGCD	
COCCOC[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1	773024563	IVAIAQLKDYIUIV-IAGOWNOFSA-N	320.477	3.379	10	20	DGCD	
COc1ccc(CN(CCCO)Cc2cc(C)ccc2O)cc1	898172820	BAIKFENWFLKUQP-UHFFFAOYSA-N	315.413	3.094	10	20	DGCD	
Cc1cscc1CNCc1ccc(N2CCN(C)CC2)cc1	785520575	ALMLRKKJBJUHLN-UHFFFAOYSA-N	315.486	3.098	10	20	DGCD	
COc1ccc(CNC(C)(C)c2ccc(C)nc2)c(O)c1OC	893580975	MSTPBJOCANTTSN-UHFFFAOYSA-N	316.401	3.138	10	20	DGCD	
CC(C)(C)OC(=O)CCCCOC(=O)c1cc(O)cs1	785313536	AIAPYJQIAFIFMO-UHFFFAOYSA-N	300.376	3.123	10	20	DGCD	
COc1cc(N(C)C[C@H]2C[C@H]3C=C[C@H]2C3)cc(OC)c1OC	780774255	JDPWQBRKFLSVEM-MELADBBJSA-N	303.402	3.361	10	20	DGCD	
C[C@H]1CCC[C@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1	783339252	BRZYAVAQGNGZHU-RYUDHWBXSA-N	306.358	3.040	10	20	DGCD	
C[C@@H](NC[C@@H]1CCC=CO1)c1cc(Br)ccc1O	783308452	DXDABDVOBMRCAY-PWSUYJOCSA-N	312.207	3.498	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1cccc2c1OCC2	899341988	OENJKIFJXYCOBO-KAMYIIQDSA-N	314.410	3.078	10	20	DGCD	
Cc1cc(O)c(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1C(C)C	794707404	RWIORVCONDVEOQ-BEFAXECRSA-N	319.445	3.204	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1	799864681	UMQOLKYIZLSOSG-RVKKMQEKSA-N	318.461	3.305	10	20	DGCD	
CCC(CC)(CO)NCc1ccc(N(C)C)cc1C(F)(F)F	792985124	VNUKJWBZSMHKMW-UHFFFAOYSA-N	318.383	3.412	10	20	DGCD	
C[C@@H]1CCc2nc(NC(=O)NCc3ccccc3O)sc2C1	1318221946	YEYQETYABRKGNR-SNVBAGLBSA-N	317.414	3.295	10	20	DGCD	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCc1ccc(N)cc1	1335736682	FSHGTIHRQCTKSH-WMLDXEAASA-N	309.413	3.356	10	20	DGCD	
CC[C@@H](NCc1cccc(-c2nn[nH]n2)c1)c1ccc(C)cc1O	1609194790	NXRWMIWIRKHVKF-MRXNPFEDSA-N	323.400	3.122	10	20	DGCD	
CN(C)c1ccc(/C=C/CNCc2cccc3c2CCNC3)cc1	1578425837	PCDLTLLDFGJWLY-SNAWJCMRSA-N	321.468	3.201	10	20	DGCD	
CC1CCN(c2ccc(CNCC3CCNCC3)cc2)CC1	1576734977	OVBBPVKCAWTHIP-UHFFFAOYSA-N	301.478	3.012	10	20	DGCD	
CCc1cccc(F)c1CNCc1ccc(C(=O)O)cc1O	1776976541	QZVPQKDVWBMOOY-UHFFFAOYSA-N	303.333	3.082	10	20	DGCD	
CNC(=O)c1cccc(NCc2c(O)cccc2Cl)c1C	155422831	TXNHDCPEEAKAJE-UHFFFAOYSA-N	304.777	3.326	10	20	DGCD	
COc1ncc(CNCc2cc(Cl)cc(Cl)c2O)s1	877530347	SQBJKNKNGQADCW-UHFFFAOYSA-N	319.213	3.454	10	20	DGCD	
CCN(CC)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	173466595	RILMSRNNTAAPBH-MRXNPFEDSA-N	320.477	3.311	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)nc1)N1CCc2ccc(F)cc21	179210963	SGGUTEVUHCNJRW-QHHAFSJGSA-N	302.736	3.477	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@H]1C	178562519	CWYZXHYYTOIFNT-GJZGRUSLSA-N	301.434	3.227	10	20	DGCD	
CC[C@H](NCCC(=O)N[C@H](C)CC)c1ccc(N(C)C)cc1	178715954	HRNFUIKKDUHLIW-PBHICJAKSA-N	305.466	3.098	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cccc(F)c2F)c1	114575063	LGTUMJOLYHVNCG-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
COc1cc(C)cc(CN(C)CCOc2ccccc2)c1O	119407806	RXQFMRRDYWFSIE-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
CNC(=O)c1ccc(CN(C)Cc2cc(C)cc(C)c2O)cc1	111996266	GSPAQCJQCHSQFJ-UHFFFAOYSA-N	312.413	3.001	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)Cc1ccccc1)c1cc(F)ccc1O	186148140	ZRVABIVGMVORPY-VEVIJQCQSA-N	303.377	3.174	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1SCCc2sccc21	175507282	NDXGTNDWPSJPOJ-OAHLLOKOSA-N	319.451	3.443	10	20	DGCD	
Cc1nccn1C[C@H](C)CN[C@@H](C)c1ccc(N(C)C)cc1	178698590	LPAXRYYTNDUZHG-CABCVRRESA-N	300.450	3.244	10	20	DGCD	
COCc1noc(CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)n1	182652977	XSCLMGLBKIGUJX-LBPRGKRZSA-N	317.389	3.030	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c1	186326124	CCWGWKZGXUAFLN-GFCCVEGCSA-N	312.369	3.229	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)N(C)c2nccs2)cc1	191598301	VRDPZCCPGHPYKU-UHFFFAOYSA-N	319.430	3.030	10	20	DGCD	
Cc1ccc(F)cc1C(=O)Nc1cccc(N2CCOCC2)c1	131801172	OEDUMZJUHWIMOA-UHFFFAOYSA-N	314.360	3.223	10	20	DGCD	
COc1ccccc1[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1	237243117	BAVQZNUCEKTMDC-KRWDZBQOSA-N	310.397	3.184	10	20	DGCD	
CC1(C)COc2cc(NC(=O)NCc3ccccc3O)ccc21	529158167	QLPKFYMOYZQXGZ-UHFFFAOYSA-N	312.369	3.384	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H](C)c2cccnc2)n(C)c2ccccc12	349213150	JIRQGACXLXTGSF-AWEZNQCLSA-N	322.412	3.442	10	20	DGCD	
CN(C)c1ccc(CN2CCCC3(CCOCC3)C2)cc1F	271210713	YGZUAJDEPKSRRJ-UHFFFAOYSA-N	306.425	3.284	10	20	DGCD	
C[C@H](C(=O)O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1	277245756	JNYMAIGDQKYOEM-KBXCAEBGSA-N	312.413	3.304	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(OC)cc2)c1	273367264	FIJFVOPJNWVHIH-GFCCVEGCSA-N	315.369	3.038	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c(O)c1	273537011	XPYYPFUAFJEDBV-ABAIWWIYSA-N	307.340	3.363	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C1CCC(O)CC1	282505814	NYHOKOMWEXRXBE-UHFFFAOYSA-N	305.418	3.072	10	20	DGCD	
CN(C)c1ccc(CN2CCC(C)(O)CC2)c(C(F)(F)F)c1	280094906	BAGQLAKWVWLRFA-UHFFFAOYSA-N	316.367	3.118	10	20	DGCD	
OC[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCc2cccc(O)c21	297671382	LAFNGMONCPICRZ-MAUKXSAKSA-N	322.408	3.054	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC2(CCOCC2)[C@H]1C1CC1	293722747	UDTAKBKJPGIBEB-MRXNPFEDSA-N	307.821	3.437	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)c1ncc(Br)cn1	805749217	WQGUVPNQGAOWHK-NXEZZACHSA-N	322.206	3.357	10	20	DGCD	
CCN(Cc1c(Cl)ncnc1N(C)C)c1ccc(OC)cc1	801522617	WRWRYSUODVHAOR-UHFFFAOYSA-N	320.824	3.231	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1	295026586	OCVOXCOOTIRNDF-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
COC(=O)Nc1cccc(CNCc2cccc(C)c2O)c1	809705840	BANHJTHCTDPCCT-UHFFFAOYSA-N	300.358	3.169	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCC(C)(F)F	297697239	QWMOQFSBAQTROT-UHFFFAOYSA-N	300.349	3.359	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccc(N(C)CC)cc1	815632420	MPMBSQPCWZTYFU-JKSUJKDBSA-N	319.493	3.346	10	20	DGCD	
COc1ccc(N(C)Cc2nc(C(C)(C)C)n[nH]2)cc1Cl	814627345	XANRNEZCHLKFBK-UHFFFAOYSA-N	308.813	3.401	10	20	DGCD	
CC1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CCCCC1	819171542	ZEXMDJBQKOUJCR-UHFFFAOYSA-N	316.401	3.127	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@H](c2cccnc2)C2CCC2)cc1	817943260	SXJZCELRPOIATI-PMACEKPBSA-N	324.472	3.278	10	20	DGCD	
CCOC(=O)CN(Cc1cc(Cl)c(F)cc1O)C1CCC1	816570758	GUTIQCFEFQHZCQ-UHFFFAOYSA-N	315.772	3.102	10	20	DGCD	
CCn1ncnc1COc1ccc2c(c1)c1c(n2C)CCCC1	664105641	WZKFYGKIRNOGOC-UHFFFAOYSA-N	310.401	3.248	10	20	DGCD	
COc1cc(CN(CCCO)C2CC2)c(O)c(C(C)(C)C)c1	824802559	NXFRVCFBJKXXSR-UHFFFAOYSA-N	307.434	3.045	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c([nH]1)CCCC2	822265514	RCLGNUPENRHICR-UHFFFAOYSA-N	311.429	3.232	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C2CC2)[C@@H](CO)C2CC2)cc1Cl	826064464	KMMAMCOUSUKZLR-WMLDXEAASA-N	309.837	3.241	10	20	DGCD	
CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cc(Cl)c(Cl)cc1O	834905235	USLFBSBJAGMGHQ-REAQECSSSA-N	320.216	3.154	10	20	DGCD	
CCn1nncc1CN(Cc1ccccc1O)C1CCCCC1	838846685	YRMFKINFDGOSKH-UHFFFAOYSA-N	314.433	3.339	10	20	DGCD	
COc1ccc(N2CCN(C[C@@H]3CC3(Cl)Cl)CC2)cc1	838900924	QTRDVLCVKFTQET-LBPRGKRZSA-N	315.244	3.011	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc(Cl)cc2O)c(OC)n1	841758054	ROBDTSIYCLLAKR-JTQLQIEISA-N	322.792	3.309	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC2(CCOCC2)[C@H]1C1CC1	840948626	HCKCYUSHNDXKHO-LJQANCHMSA-N	314.473	3.452	10	20	DGCD	
Cc1cccc2nc(CCN[C@@H]3CCc4cccc(O)c43)cn12	842932937	LLFPHSAUWRQQMT-MRXNPFEDSA-N	307.397	3.168	10	20	DGCD	
C[C@@H](N)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	843052161	IRIUQYXCGPZYNF-MRXNPFEDSA-N	301.478	3.236	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1F)c1ccc(N(C)C)cc1	840355205	YJSYARNLRZXPHB-DAXOMENPSA-N	307.413	3.394	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1nc(-c2ccccc2)no1	843350199	OZLBUSRSFNFKIE-UHFFFAOYSA-N	320.396	3.148	10	20	DGCD	
C[C@H](N[C@H](COC(=N)O)Cc1ccccc1)c1ccccc1O	840862785	IEXGTHVADSGDEB-ZFWWWQNUSA-N	314.385	3.163	10	20	DGCD	
COCCOCCCCN[C@H](C)c1cc(Cl)ccc1O	756517956	RNPJBDKHXOERHA-GFCCVEGCSA-N	301.814	3.139	10	20	DGCD	
CSC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCCC1	924238554	MICVQGQXKGZHRX-SOFGYWHQSA-N	321.442	3.293	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	859420458	YDTBFVIMAJNPMU-SLFFLAALSA-N	320.436	3.263	10	20	DGCD	
Cc1ccc([C@H](C)NCCCOC[C@@H]2CCOC2)c(O)c1C	756602955	HBIPMWYWIWODDC-HOTGVXAUSA-N	307.434	3.103	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c1	858249284	NNGNKGHNCBBZNK-NVXWUHKLSA-N	310.397	3.131	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nc[nH]c1C(C)(C)C	864633200	BNLSKYDAKAZHFJ-UHFFFAOYSA-N	314.433	3.045	10	20	DGCD	
COCCN(Cc1cccs1)Cc1cccc(OC)c1O	768197600	KYYPIZAGNSNCJP-UHFFFAOYSA-N	307.415	3.111	10	20	DGCD	
CCOc1cccc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)c1O	766090469	TUOLFRFSGWPTNK-HOTGVXAUSA-N	307.434	3.473	10	20	DGCD	
Cc1cn2c(CN(C)C(=O)c3cc(O)cs3)c(C)nc2s1	760371348	LTGVGMKADIAEEO-UHFFFAOYSA-N	321.427	3.052	10	20	DGCD	
OC1CCN(c2ccc(CN3CC[C@@H](C4CCC4)C3)cc2)CC1	877592576	IKQBDNMTRFUXSX-GOSISDBHSA-N	314.473	3.270	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC12CCC2	770715341	DZCBREZPQIIZQS-HNNXBMFYSA-N	315.461	3.474	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)c1ccccc1O	875401558	BXQOJAITHZMJRW-LWLQIGSTSA-N	322.408	3.481	10	20	DGCD	
COCCn1ccc2ccc(NC(=O)c3cc(O)cs3)cc21	771409412	NCUKORYRVJLBLM-UHFFFAOYSA-N	316.382	3.307	10	20	DGCD	
C[C@H](NC[C@H](O)CCc1ccccc1)c1c(O)cccc1F	886588704	XSCIHDKLIHXGKH-DZGCQCFKSA-N	303.377	3.176	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1	76275558	KAEUMCOGVFHOLE-MRXNPFEDSA-N	310.441	3.499	10	20	DGCD	
COc1cc(N(C)Cc2cnc(F)cc2C)cc(OC)c1OC	893461880	QIGVEOTVDGNEOB-UHFFFAOYSA-N	320.364	3.191	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1c(Cl)c(C)nn1C	891853169	CZFQFTSIOOASJX-UHFFFAOYSA-N	307.825	3.500	10	20	DGCD	
C[C@H]1[C@@H](C)OCCN1Cc1ccc(N(C)C)cc1C(F)(F)F	792822271	JNLWGFJDSIMINB-NWDGAFQWSA-N	316.367	3.381	10	20	DGCD	
CC[C@H](C)[C@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	792989109	YYZCTWVMNYGRAF-KSSFIOAISA-N	318.461	3.305	10	20	DGCD	
CCN(C(=O)NCc1ccc(N)cc1)[C@H](C)Cc1ccsc1	1335737379	OQXUKVHNTHWGTG-CYBMUJFWSA-N	317.458	3.493	10	20	DGCD	
CCCOc1ccc(CNC[C@@H](CC(=O)O)C(F)F)cc1C	1261890110	USIDHHSZFBHFJG-CYBMUJFWSA-N	315.360	3.229	10	20	DGCD	
Cc1cc(CN[C@H](C)c2ncc(C(=O)O)s2)ccc1N(C)C	1600202927	CCOHWSHYTCVHNB-LLVKDONJSA-N	319.430	3.067	10	20	DGCD	
CSc1nc2ncnc(NCCc3ccc(N)cc3)c2s1	1579395511	TWPRTHSZFVBCNE-UHFFFAOYSA-N	317.443	3.045	10	20	DGCD	
C[C@@H](Cc1ccsc1)N(C)C(=O)NCc1ccc(N)cc1	1576065352	CCBMDCSNOLDUEO-LBPRGKRZSA-N	303.431	3.103	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc3c(c2)CNC3)cc1Cl	1579638498	ZPZULMHJNVWGCH-UHFFFAOYSA-N	302.805	3.247	10	20	DGCD	
C[C@H](NCc1ccc(F)c(F)c1)c1cc(C(=O)O)ccc1O	1593298508	KAKPYOIWTGSYMN-VIFPVBQESA-N	307.296	3.219	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(c3ccccc3O)CC2)c1	153367213	XSCLJJLBJDOIEQ-UHFFFAOYSA-N	312.413	3.037	10	20	DGCD	
CN(CC1=CCCOC1)Cc1ccc(N2CCCCC2)cc1	155243678	DZWYKRMFGNBFAH-UHFFFAOYSA-N	300.446	3.455	10	20	DGCD	
CO[C@H]1CCN(Cc2c(O)cccc2Br)C[C@H]1C	862386627	WGROTKIENJMQOO-YGRLFVJLSA-N	314.223	3.012	10	20	DGCD	
CCCCOCCNCc1cc(Br)ccc1O	227441909	XEZVGHSKERPGAM-UHFFFAOYSA-N	302.212	3.061	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ncc(Br)cn2)c1	67371996	XDBWGSCCYSWBKZ-QMMMGPOBSA-N	324.178	3.126	10	20	DGCD	
CCCCN(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	68549091	ZFLJHTFNNCFEOV-HNNXBMFYSA-N	319.449	3.026	10	20	DGCD	
C[C@@H](Nc1cnn(Cc2ccccn2)c1)c1ccc(F)cc1O	186390311	JCAACUVAQAVYDJ-GFCCVEGCSA-N	312.348	3.344	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@H](C)c2ccc(C)cc2O)c1	185177541	MKFJFPADVPHCFG-CQSZACIVSA-N	312.413	3.301	10	20	DGCD	
CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(F)ccc1O	77472343	KPBDALOVJIRCOF-AWEZNQCLSA-N	306.724	3.381	10	20	DGCD	
CCOCCC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCC1	128657518	LIXWIYAPIURXBO-CYBMUJFWSA-N	321.417	3.175	10	20	DGCD	
C[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccncc1	129676127	HJHLENUKNFVGNA-HNNXBMFYSA-N	311.429	3.300	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ncc(C)cc2[N+](=O)[O-])c1	78659405	DRGWCVRMQMQSIF-JTQLQIEISA-N	303.318	3.186	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1	186211704	UVPMVIQJSLLUAB-SGMGOOAPSA-N	306.406	3.025	10	20	DGCD	
CC[C@H](CSC)NC(=O)N(C)Cc1ccc(N(C)C)cc1	181446405	ZFFPAXTZPMARCQ-CQSZACIVSA-N	309.479	3.036	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN[C@H](C1CCC1)C1CC1	324931159	NRTIVEODZTXEJL-LJQANCHMSA-N	300.446	3.192	10	20	DGCD	
CCOc1cccc(CNCc2cccc([N+](=O)[O-])c2C)c1O	323171339	MRQAMKXVQVBAJB-UHFFFAOYSA-N	316.357	3.297	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)C1(CC)CC	193129732	IDASIWHHACTCOG-LSDHHAIUSA-N	321.417	3.154	10	20	DGCD	
Nc1ccc(CCNC(=O)C[C@@H]2CCCc3ccccc32)cc1	237937052	IVLANUPGMDWWES-KRWDZBQOSA-N	308.425	3.438	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC2([C@@H](C)CCO)CCC2)c1	273532163	WRCNNJVJHYBCMN-UONOGXRCSA-N	307.434	3.240	10	20	DGCD	
CCC[C@](C)(O)CN[C@H](C)c1ccc(Br)cc1O	273622720	ZLXWWHWYYUSELM-YGRLFVJLSA-N	316.239	3.356	10	20	DGCD	
C[C@@H](NCCOc1ncccc1F)c1cc(Cl)ccc1O	273530868	WGYXNUYESWVHLV-SNVBAGLBSA-N	310.756	3.309	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)[C@H]1CCCN(C2CCC2)C1	272742553	BFSUCUKWTQXJHO-AEFFLSMTSA-N	315.505	3.495	10	20	DGCD	
CCC[C@@]1(NCc2ccc(OC)c(COCC)c2)CCOC1	285553164	QXALMJJJYNPXHD-GOSISDBHSA-N	307.434	3.281	10	20	DGCD	
CC[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(F)cc1O	290243980	JIZUDAIZFAKBNX-MPGHIAIKSA-N	317.360	3.067	10	20	DGCD	
COCCN(CCC1(OC)CCC1)c1ccc(OC)c(OC)c1	293696342	CGQLYSUHMVAUSN-UHFFFAOYSA-N	323.433	3.116	10	20	DGCD	
CN1CCC([C@H]2CCN(Cc3c(O)cccc3Cl)C2)CC1	290478008	NXMUFDOSQZALIW-AWEZNQCLSA-N	308.853	3.209	10	20	DGCD	
CC(C)OC(=O)[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1O	816514127	NCMOKPBUUXRYBY-ZDUSSCGKSA-N	315.772	3.101	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(C3CC3)C3CC3)C2)cc1	818341666	CMNCCTHUJUWOOP-CQSZACIVSA-N	300.446	3.300	10	20	DGCD	
Cc1cc(CN2C[C@H](C)O[C@@H](C(F)(F)F)C2)ccc1N(C)C	815055755	MIEVLLJEYZSRRZ-SWLSCSKDSA-N	316.367	3.213	10	20	DGCD	
COC[C@H](C)[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O	812575537	HLZFWLNVGCQVDX-DTWKUNHWSA-N	320.216	3.234	10	20	DGCD	
Fc1ccccc1N1CC[C@H](NCc2ccc3c(c2)CCO3)C1	813792255	UILHTUXVPIGZNE-INIZCTEOSA-N	312.388	3.129	10	20	DGCD	
O=C(O)CC[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1O	903697229	GXUJKKTWQMIFRR-GFCCVEGCSA-N	315.772	3.404	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccnn1CCC	830147358	RWXAQFQJRLHEAA-UHFFFAOYSA-N	301.390	3.051	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCc1cccnc1Cl	830141117	NBIPOKNFNZWBDK-UHFFFAOYSA-N	304.777	3.032	10	20	DGCD	
C[C@@H](NC[C@]1(C)CCC(=O)N1)c1cc(Cl)c(Cl)cc1O	834908563	KLBNURUBPAKJNN-CLAHSXSESA-N	317.216	3.018	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@H]2COC[C@H]2C)c1O	903395295	KUCGXPACSSGDRB-NRUUGDAUSA-N	314.223	3.149	10	20	DGCD	
CC/C=C/CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	838656717	AIMBENMUZSKPOB-AATRIKPKSA-N	301.434	3.393	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CNc1nc2n(n1)CCCC2	834482643	MVUPOBOUMWIWPB-UHFFFAOYSA-N	311.433	3.217	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1	841837796	XUJFFNSVKJMLOH-HLLBOEOZSA-N	301.434	3.079	10	20	DGCD	
CC[C@H](N[C@@H]1COC[C@H]1OC)c1cc(Cl)cc(Cl)c1O	842911650	KXYQHRPYXWXZCJ-YNEHKIRRSA-N	320.216	3.154	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cc(F)ncc1F	840975082	CNTROTOYMAALSA-CYBMUJFWSA-N	319.399	3.455	10	20	DGCD	
COc1cc(CN(C)C[C@](C)(O)c2ccccc2)c(O)cc1C	842622955	DKNDSYGJGRZEJC-IBGZPJMESA-N	315.413	3.049	10	20	DGCD	
CCCCCCO[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	840415751	HVJXUUWVQUVINZ-KBPBESRZSA-N	323.433	3.130	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC2CC3(CCC3)C2)c1	845723129	APEFLLDEXPAKML-LLVKDONJSA-N	304.390	3.094	10	20	DGCD	
COc1cc(CN2CC(C)(C)[C@H]2c2nccn2C)c(O)cc1C	840111821	ZKELPXYMZOGHKF-MRXNPFEDSA-N	315.417	3.026	10	20	DGCD	
CCC[C@@H](C)S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	845824740	FFDPKKUPHIVSCN-CQSZACIVSA-N	324.490	3.235	10	20	DGCD	
CC[C@H](NCc1cc(Br)ccc1O)[C@@H](O)C(C)C	840967386	MDVPIHLDKGKQGV-JSGCOSHPSA-N	316.239	3.040	10	20	DGCD	
COc1ccc(N(C)CCc2ccc([N+](=O)[O-])cc2)c(OC)c1	752126851	VWZVNFFQBFWZRU-UHFFFAOYSA-N	316.357	3.291	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCN(C3CCCCC3)C2)cc1	850381761	JCOOQLDSTKIVFJ-QGZVFWFLSA-N	301.478	3.249	10	20	DGCD	
COc1ccc(N(C)CCOc2ccc([N+](=O)[O-])cc2)cc1F	757856837	HOCDQXGRWGKENE-UHFFFAOYSA-N	320.320	3.258	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(Cl)cc1O	858480389	SPHDAAJQPBNKGL-JQWIXIFHSA-N	318.795	3.426	10	20	DGCD	
C[C@@H](NCCN1CCc2ccccc21)c1ccc(N(C)C)cc1	765416382	LSSBODJFVJYPSG-MRXNPFEDSA-N	309.457	3.466	10	20	DGCD	
CO[C@@]1(CN[C@H](C)c2ccc(N3CCCCC3)cc2)CCOC1	763572753	OQPRPSLHZSLHDA-VQIMIIECSA-N	318.461	3.133	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc[nH]2)c(C)n1-c1ccccn1	760956667	GTQSZONBPRKSAK-ZDUSSCGKSA-N	308.385	3.308	10	20	DGCD	
CCN(CC)Cc1ccc(C(=O)NCc2cc(C)ccc2O)o1	862759169	XQNNXUPEIPRFLR-UHFFFAOYSA-N	316.401	3.065	10	20	DGCD	
COc1ccc(C[C@H](C)C(=O)NCc2cc(C)ccc2O)cc1	862757989	LDZLVXGXSVOLTN-AWEZNQCLSA-N	313.397	3.204	10	20	DGCD	
COc1cc(N(C)Cc2c(C)cccc2O)cc(OC)c1OC	877180064	OVRXZUAOKNCQIG-UHFFFAOYSA-N	317.385	3.363	10	20	DGCD	
COc1cccc(CCNCc2ccc(C)cc2O)c1OC	876945707	AJVYKLJYJRPLOE-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	876506900	QHHOEUKIHYBZOQ-FHLIZLRMSA-N	317.477	3.085	10	20	DGCD	
OC1CCN(c2ccc(CNCC3(C4CC4)CCC3)cc2)CC1	877112754	YTEMZIRQAIUTOH-UHFFFAOYSA-N	314.473	3.318	10	20	DGCD	
CC(C)(NC(=O)c1cccc(O)c1O)c1cccc(Cl)c1	776657710	HEYAWHQRBKVJEE-UHFFFAOYSA-N	305.761	3.416	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H]3CCC[C@@H]3OC)CC2)cc1	775420480	XSLDJRPBJMAQMM-BEFAXECRSA-N	318.461	3.069	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCCC2(C)C)c1O	775036821	FZOHHVBHHDHMKX-CYBMUJFWSA-N	308.378	3.367	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCCc2cn[nH]c2)cc1	770766739	XKIIXISJIJWJPY-UHFFFAOYSA-N	309.369	3.217	10	20	DGCD	
C[C@@H](NCc1cc(F)cc(F)c1O)[C@H](O)c1cccc(F)c1	883027692	KQPRPHDSKWXKNP-PSLIRLAXSA-N	311.303	3.021	10	20	DGCD	
COc1ccc(CCCC(=O)Nc2ccc(N)cc2)cc1OC	884009016	JGUXHVAAEKSEAD-UHFFFAOYSA-N	314.385	3.247	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@H]1CCOc2ccccc21	882990007	RRFBZDAAQONVPJ-LLVKDONJSA-N	305.324	3.326	10	20	DGCD	
CO[C@@]1(C(F)(F)F)CCCN(Cc2ccc(N(C)C)cc2)C1	783718025	NPOBIYNUAZPZCV-HNNXBMFYSA-N	316.367	3.296	10	20	DGCD	
C[C@H](NCC(C)(C)CN1CCCC1)c1cc([N+](=O)[O-])ccc1O	790748149	JYSZRUBCQCMNDN-ZDUSSCGKSA-N	321.421	3.073	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1oc(C(C)C)nc1C	794335100	BQSSFNKCJPLBMZ-UHFFFAOYSA-N	315.417	3.411	10	20	DGCD	
O=C(O)CC1(CNCc2ccc(N3CCCCC3)cc2)CC1	1332414238	UQQNCTQWIDRBBH-UHFFFAOYSA-N	302.418	3.021	10	20	DGCD	
C[C@H](NC(=O)CCc1cccc(O)c1)c1ccc(N(C)C)cc1	1347175036	RUSHSEXPAIUBLC-AWEZNQCLSA-N	312.413	3.268	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc([N+](=O)[O-])c(F)c1F	1600832793	YDHAWKGERXQXLY-UHFFFAOYSA-N	313.212	3.052	10	20	DGCD	
O=C(O)c1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CCC2	1602411758	DPPJVRAJCVLGTD-SFHVURJKSA-N	323.392	3.487	10	20	DGCD	
Nc1ccc(CNC[C@H](O)c2cccc(C(F)(F)F)c2)cc1	1580445400	BQKUSZCPHXLDCH-HNNXBMFYSA-N	310.319	3.111	10	20	DGCD	
COc1ccc(O)c(CNc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)c1	1599598930	VPZGWCLXNKLNFF-JKSUJKDBSA-N	313.353	3.201	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H]3CC[C@@](C)(C(=O)O)C3)ccc21	1776876150	YAXNCIGLLHPGSP-VQIMIIECSA-N	316.445	3.192	10	20	DGCD	
CN(C)c1ccc(CN2c3ccccc3C[C@H]2CC(=O)O)cc1	1777039640	CHWIWILZZLXIGQ-KRWDZBQOSA-N	310.397	3.159	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S	13214871	YOIDSDYCVAACPS-LCYFTJDESA-N	300.408	3.456	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)cc(F)c1	152986355	JWYSUKSMDJZMGN-SECBINFHSA-N	322.311	3.129	10	20	DGCD	
COc1ccc([C@H](C)CC(=O)NCCc2ccc(N)cc2)cc1	152546172	XPDSGEYTQLWDSJ-CQSZACIVSA-N	312.413	3.130	10	20	DGCD	
COc1cccc(CNC(=O)CCSc2ccccc2)c1O	155462301	BDCFVQGFBODWSW-UHFFFAOYSA-N	317.410	3.199	10	20	DGCD	
COC[C@H](O)CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	117946351	BTLBPPJCLMHLAT-OAHLLOKOSA-N	323.477	3.084	10	20	DGCD	
COc1ccc(N2CCCN(CCCCCCCO)CC2)cc1	173553566	YACWAKZXWGJUJV-UHFFFAOYSA-N	320.477	3.150	10	20	DGCD	
COc1cccc(CNC(=O)NCc2ccc(Cl)cc2)c1O	171639224	IHRYYSDSTAXCDG-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
Oc1ccccc1CN(CCOCC1CC1)Cc1ccco1	119482488	ZPJUMQCKTGVTDN-UHFFFAOYSA-N	301.386	3.414	10	20	DGCD	
CCS[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C	66603096	UYEMCQNWIBQJAQ-MRXNPFEDSA-N	308.491	3.489	10	20	DGCD	
CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(O)c(O)c1	78768914	QFLIRBDFFVOCSE-MRXNPFEDSA-N	318.417	3.031	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1	185164161	CYCVSHKKYHNJAN-HUUCEWRRSA-N	310.397	3.157	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@H](C)c2ccc(C)cc2O)cc1	184948762	KQTVFQDLGZFMBV-ACJLOTCBSA-N	301.386	3.093	10	20	DGCD	
COc1cc(Cl)cc(CNCCN(C)C2CCCC2)c1O	228673245	OPBVTKLZRRUNTG-UHFFFAOYSA-N	312.841	3.018	10	20	DGCD	
COc1ccc(O)c(CNCCCN(C)Cc2ccccc2)c1	237204110	LAEBECAYDJZUHC-UHFFFAOYSA-N	314.429	3.013	10	20	DGCD	
CCOc1ccc(O)c(CN2CC[C@@H](OCCC(C)C)C2)c1	93476261	NHSJSQYJBJLMPK-QGZVFWFLSA-N	307.434	3.428	10	20	DGCD	
Cc1cc(C(=O)N2[C@H]3CCNC[C@H]2CC3)c(C)n1-c1ccccc1	262209818	IQNKAQYRATUTCE-QZTJIDSGSA-N	323.440	3.061	10	20	DGCD	
C[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1O	273479874	LQAUNUZFIYJHFY-VXGBXAGGSA-N	306.362	3.053	10	20	DGCD	
CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)[C@H]1C1CC1	368665182	CCYRNHOMHITIJP-SFHVURJKSA-N	300.446	3.144	10	20	DGCD	
CC[C@H](NCc1ccc(NC(C)=O)nc1)c1ccc(C)cc1O	280258184	XASFRAAAKFZJOR-INIZCTEOSA-N	313.401	3.295	10	20	DGCD	
COCC[C@@H](CO)N[C@H](C)c1ccc(N2CCCCCC2)cc1	281721252	UOQFAPJLAZNCAC-AEFFLSMTSA-N	320.477	3.115	10	20	DGCD	
COc1ccc(C)cc1NC(=O)COc1ccc(N(C)C)cc1	289487133	YQZQELVESUGEAP-UHFFFAOYSA-N	314.385	3.087	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CSC[C@@H]1C	807477255	MDIZMVSPNMKEFD-ZFWWWQNUSA-N	322.474	3.455	10	20	DGCD	
Cc1cc(=NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc[nH]1	807329683	CWUCVLMQMCJEKY-UHFFFAOYSA-N	305.381	3.472	10	20	DGCD	
CC(C)CNC(=S)NCc1cc(Cl)cc(Cl)c1O	806598813	MMEMSGBQNMYLBJ-UHFFFAOYSA-N	307.246	3.319	10	20	DGCD	
COc1ncc(/C=C\C(=O)N2CCC(C)(C)c3ccccc32)cn1	809359531	UXMJYNYRUHDUGB-HJWRWDBZSA-N	323.396	3.213	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCC2(COC)CCOCC2)cc1	293877210	YNSRFAMEEBBWBT-MRXNPFEDSA-N	320.477	3.237	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCc3cc(F)ccc32)cc1	800913061	AIVJUQKMUOXGPL-UHFFFAOYSA-N	313.376	3.164	10	20	DGCD	
CSC[C@H](CCO)N[C@H](C)c1cccc(C(F)(F)F)c1O	815582817	PRTPLFXOPVXKEZ-ZJUUUORDSA-N	323.380	3.176	10	20	DGCD	
C[C@H](C[C@H](O)c1ccco1)NCc1cc(Cl)c(F)cc1O	816559224	BVZBXCNOHOXTTC-OTYXRUKQSA-N	313.756	3.380	10	20	DGCD	
NC(=O)Nc1ccc(CNCc2ccc3ccccc3c2O)cc1	816533916	ONPLPFNJTCPTBL-UHFFFAOYSA-N	321.380	3.326	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(N)cc2)cc1	826020030	NZBQHOQOBOFQTH-UHFFFAOYSA-N	311.429	3.387	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@@]3(C)CCC[C@@H]3C)CC2)cc1	822197193	PHCZNXAWGYTSLM-KXBFYZLASA-N	316.445	3.170	10	20	DGCD	
C[C@@H](Sc1ccccn1)C(=O)N[C@H](C)c1ccccc1O	827936900	FZCLPWMQTBNXDI-VXGBXAGGSA-N	302.399	3.145	10	20	DGCD	
COc1cc(O)c(CNc2ccc(C(=O)O)c(C)c2)cc1OC	820775511	ZTAHDIPUMUVDQV-UHFFFAOYSA-N	317.341	3.028	10	20	DGCD	
CC[C@H](NCc1ccc(Br)cc1O)[C@H](O)C(C)C	826120785	JBZRNFZTCFQHOT-GXTWGEPZSA-N	316.239	3.040	10	20	DGCD	
CCCC(=O)Nc1cccc(CNC(=O)c2cc(O)cs2)c1	731871355	CVVKTELFZXXDGM-UHFFFAOYSA-N	318.398	3.122	10	20	DGCD	
CC(C)OC(=O)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1O)C(C)C	834886676	VOPWWNNIPVIWLY-HZMBPMFUSA-N	315.360	3.297	10	20	DGCD	
C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccncc1	901705735	GBNXLRWFUPKRTE-KXBFYZLASA-N	312.461	3.101	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)OC3CCCC3)CC2)cc1	830351978	FTYZQUNUWSSNIL-UHFFFAOYSA-N	318.417	3.333	10	20	DGCD	
C[C@H](NC[C@H](O)C1CCC1)c1ccc(N2CCCCC2)cc1	834906427	QPBHQLGDMGEDKQ-KXBFYZLASA-N	302.462	3.489	10	20	DGCD	
Cc1nc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(C)o1	839921837	NNHYKCVUWLANAD-LBPRGKRZSA-N	315.417	3.027	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H](C)CCC=C(C)C)c(O)c1	836564747	PKULWOZUIHAAEQ-ZDUSSCGKSA-N	306.406	3.335	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@](C)(CC)OC	838660185	CRFAOZCKJPKBRK-GOSISDBHSA-N	321.465	3.099	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836496893	IFAQJWHBLLBSSZ-CGTJXYLNSA-N	316.445	3.059	10	20	DGCD	
COc1cccc([C@H](C)NCc2cccc(N(C)C)c2)c1O	846146054	PMDGQDTUJOKRML-ZDUSSCGKSA-N	300.402	3.318	10	20	DGCD	
CCc1noc(C)c1C(=O)N(CC)Cc1ccc(N(C)C)cc1	849209005	QWSIHNOYLZEPKA-UHFFFAOYSA-N	315.417	3.274	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CO)Cc1ccccc1C	840940225	WFWAKVHDQYTIFG-LJQANCHMSA-N	312.457	3.063	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cnnc(O)c1Cl	840385542	ZUSUAZQBBYSQLD-NSHDSACASA-N	320.824	3.253	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cc(C(C)=O)no2)cc1	846765802	DTORHUGORRVHHA-UHFFFAOYSA-N	315.417	3.355	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)O[C@@H]4CCOC4)ccc31)CCCC2	916629744	ITPWEUNNYXQROQ-CYBMUJFWSA-N	315.369	3.361	10	20	DGCD	
c1cc2cc(CNCc3ccc(N4CCOCC4)cc3)ccc2[nH]1	848529161	KUSBTXGACFWMDM-UHFFFAOYSA-N	321.424	3.294	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@H]1C	840918611	WPYZFDVNIPAARU-VQIMIIECSA-N	303.494	3.366	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@H](C)c1ccc(Cl)cc1O	841758050	KBQQCFLOGYQXNT-TZMCWYRMSA-N	314.857	3.053	10	20	DGCD	
Cc1ccc(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)cc1C	841297982	LYXSMVWVQVFCEQ-UHFFFAOYSA-N	324.428	3.240	10	20	DGCD	
COc1cccc([C@@H](C)NCCCc2cccc(C)n2)c1O	846172930	PPFDTADFMOTXLP-CQSZACIVSA-N	300.402	3.388	10	20	DGCD	
CC(C)Cn1nccc1CN[C@@H](C)c1ccc(N(C)C)cc1	842700028	UIJAYXIVLTWILL-HNNXBMFYSA-N	300.450	3.456	10	20	DGCD	
CC(C)C1(C)CCN(C(=O)NCCc2ccc(N)cc2)CC1	841959092	KPSODOXXOTZLBB-UHFFFAOYSA-N	303.450	3.279	10	20	DGCD	
O=C(O)[C@@H](CC1CCC1)NCc1ccc(N2CCCCC2)cc1	841818931	UBSSHWMINMQJFV-GOSISDBHSA-N	316.445	3.410	10	20	DGCD	
C[C@H]1C[C@H](NCCCCn2ccnc2)c2c(O)ccc(F)c21	756458241	KQTADRPKFDZNAU-JSGCOSHPSA-N	303.381	3.346	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(F)cc1O	756637815	PJSSTSIKPQTGRW-XJKSGUPXSA-N	303.377	3.440	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1	851988063	RXPVCBZJMDSREC-KRWDZBQOSA-N	301.434	3.275	10	20	DGCD	
Cc1ccnc(CN2CCCc3cc(OC(F)F)ccc32)n1	756571546	HDSGXSHOAFPXGP-UHFFFAOYSA-N	305.328	3.339	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2ccc(CO)o2)cc1	768208531	RZGONWVKVXLPIQ-UHFFFAOYSA-N	302.418	3.250	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(Cl)cc(OC)c2O)cn1	761214110	FBKLIYAPGRZWIW-UHFFFAOYSA-N	322.792	3.090	10	20	DGCD	
CN(C)c1ccc(CNS(=O)(=O)CC2(C)CCCCC2)cc1	763214911	AMDPZAHUERBPAI-UHFFFAOYSA-N	324.490	3.142	10	20	DGCD	
Cc1cccc(O)c1CN[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C	877602946	AJSYMOAWVCFUGJ-KGLIPLIRSA-N	322.449	3.482	10	20	DGCD	
COc1ccc(CN(C)C)cc1NCc1ccc(C)cc1O	876844860	KMLYMAIGBOPPSP-UHFFFAOYSA-N	300.402	3.383	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCC(F)(F)F	770733606	HCUWSCGETSPZPF-UHFFFAOYSA-N	302.340	3.410	10	20	DGCD	
Cc1nc(C(=O)NCc2ccc3c(c2)CCCN3C)sc1C	770324143	HXHOOJSVMSLCNW-UHFFFAOYSA-N	315.442	3.072	10	20	DGCD	
C[C@@H](NCC1CCN(CC2CC2)CC1)c1c(O)cccc1F	886640348	XGZPIPKMVOGEFW-CYBMUJFWSA-N	306.425	3.304	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCC(F)(F)F	770617742	CZFCKHAPDIZRCX-UHFFFAOYSA-N	302.340	3.444	10	20	DGCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@H]2F)cc1	1123826319	PIDRCQZINHDUOW-STQMWFEESA-N	318.314	3.002	10	20	DGCD	
CN(C)[C@H](CNCc1cc(F)cc(F)c1O)c1ccccc1	882879853	PYFYTAWRMQWJJD-MRXNPFEDSA-N	306.356	3.063	10	20	DGCD	
C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCOC1	781325071	QKZNAPMNMGSURY-LJQANCHMSA-N	316.445	3.110	10	20	DGCD	
COc1ccc(CN2CC(c3ccc(F)cc3)C2)c(O)c1OC	1120056785	FEXKLNSWRVPDFN-UHFFFAOYSA-N	317.360	3.148	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@H](C)NC(=O)CC2CC2)cc1C	1133482046	KGYKLJYVGGYEIS-GJZGRUSLSA-N	318.461	3.177	10	20	DGCD	
COc1ccc(N2CCC(Nc3nnc(C4CC4)o3)CC2)cc1	784589129	XVLKFRACIFUWQU-UHFFFAOYSA-N	314.389	3.037	10	20	DGCD	
C[C@H]1CC[C@@H](NCc2ccccc2O)CN1C(=O)OC(C)(C)C	399181844	LWKFJBOEJGBVLO-DZGCQCFKSA-N	320.433	3.270	10	20	DGCD	
CC[C@H]1CN(Cc2c(O)cccc2Br)[C@@H](C)CO1	707143454	SHQUEZHEJBJJKV-QWRGUYRKSA-N	314.223	3.154	10	20	DGCD	
COC(=O)Nc1cccc(NCc2c(O)cccc2OC)c1C	798087183	NCJKKDCHKNEYEA-UHFFFAOYSA-N	316.357	3.500	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H]3OCCC[C@@H]3C1)CCCC2	1319687767	RVROMPLYGRKNNI-APWZRJJASA-N	301.430	3.272	10	20	DGCD	
Fc1cc(CN[C@@H]2CCC[C@H](F)C2)ccc1N1CCOCC1	1326190349	WVXLBQUFAQZJNR-LSDHHAIUSA-N	310.388	3.033	10	20	DGCD	
CO[C@@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)C12CCC2	1261295594	DJAXYTFLLMPUAC-ZWKOTPCHSA-N	300.446	3.334	10	20	DGCD	
C/C(=C\c1cccnc1)C(=O)N(CCC(=O)O)c1ccccc1C	1589005583	JWVPZGGOUJEHMY-NTCAYCPXSA-N	324.380	3.301	10	20	DGCD	
COc1ccc2ccc(O)c(CN(CC(=O)O)CC(C)C)c2c1	1599636298	MVSTUHJIRONEDN-UHFFFAOYSA-N	317.385	3.097	10	20	DGCD	
CCCC[C@H](C(=O)O)N1CCCc2ccc(N(C)C)cc2C1	1776767574	DLLIYZAZJUIRME-QGZVFWFLSA-N	304.434	3.144	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cnc(Cl)c(Cl)c2)cc1	15134412	RQRZYOFIHIOPSN-UHFFFAOYSA-N	324.211	3.384	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1	156776588	OARNDDJVHUEVRT-QFBILLFUSA-N	310.441	3.311	10	20	DGCD	
CC[C@]1(C)COCCN1Cc1cccc(Br)c1O	687972792	IHPVSPLAUSWITC-CQSZACIVSA-N	314.223	3.156	10	20	DGCD	
Oc1c(Br)cccc1CNC[C@@H]1CCCSC1	384174720	VDXOJAOEMFUHRK-JTQLQIEISA-N	316.264	3.388	10	20	DGCD	
COc1ccc(N(CC(=O)N2CCCCC2)C(C)C)cc1F	101567551	MHJGXEPXUWQTOZ-UHFFFAOYSA-N	308.397	3.062	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(O)c(Cl)c1	115725979	WJVWFBYHGNRHAM-UHFFFAOYSA-N	318.804	3.350	10	20	DGCD	
CC(C)OCCC(=O)N(Cc1ccco1)Cc1ccccc1O	173670598	KPPCGCRCNPYULB-UHFFFAOYSA-N	317.385	3.329	10	20	DGCD	
Cc1cscc1C(=O)N1CCOc2cc(N(C)C)ccc21	176977343	QBASZQMRCRAEGM-UHFFFAOYSA-N	302.399	3.162	10	20	DGCD	
C[C@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1O	72700978	CDPNQKIBEFFKCX-OAHLLOKOSA-N	313.397	3.456	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCC[S@@](=O)C(C)(C)C)cc1	127275185	ROCGMNXBLFMWRL-SZNDQCEHSA-N	310.507	3.341	10	20	DGCD	
CC[S@@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2cc(F)ccc2O)C1	185658190	IWIUOZRMGAAOGR-GCAAKWKVSA-N	313.438	3.262	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1	185206461	NBPPNTJKIWOKNP-BRWVUGGUSA-N	320.477	3.241	10	20	DGCD	
C[C@H]1CN(C)CC[C@H]1N(C)Cc1cc(Cl)cc(Cl)c1O	290587014	VAXYGNJOAAFNHZ-IINYFYTJSA-N	317.260	3.471	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H](N3CCCC3)CC2)c1	93564089	XJSUAPRBOBQQAX-QGZVFWFLSA-N	318.461	3.241	10	20	DGCD	
Oc1ccccc1CN(C[C@H]1CCC=CO1)C[C@H]1CCCO1	248741483	AENZKKSRNXWOJH-IAGOWNOFSA-N	303.402	3.066	10	20	DGCD	
Cc1cc(N(C)C)cc(C)c1NC(=O)NCc1ccccc1O	269805692	FRZWROUPJHZNEX-UHFFFAOYSA-N	313.401	3.397	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CCCCO1	264636388	CLUGFMCCSJDDBM-SFHVURJKSA-N	318.461	3.450	10	20	DGCD	
CC[C@@H](C)[C@@H](NC(=O)NCc1ccccc1O)C(F)(F)F	278446438	FWDZNLVICMYWPZ-BXKDBHETSA-N	304.312	3.168	10	20	DGCD	
CCC(CC)(CCO)CN[C@H](C)c1cc(C(=O)OC)ccc1O	273586235	NXUGWBHMOQKFGG-CYBMUJFWSA-N	323.433	3.018	10	20	DGCD	
CC(C)c1occc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	280759884	HYRYXCICEHYPNQ-LLVKDONJSA-N	303.358	3.175	10	20	DGCD	
COC(=O)c1cc(CN(C)c2ccc(OC(C)C)cc2)cn1C	809653620	BAHPZRLVUYPKDD-UHFFFAOYSA-N	316.401	3.235	10	20	DGCD	
CN(C)CCOc1cccc(N[C@H]2CCc3cccc(O)c32)c1	391784675	CGNKJQVWJACWTC-KRWDZBQOSA-N	312.413	3.432	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCc3c(F)cccc32)cc1	817938975	WQVJFQPUHLHANZ-RTBURBONSA-N	313.420	3.169	10	20	DGCD	
C[C@@H](N[C@@H]1CCCNC1)c1ccc(N2CCCCC2)c(F)c1	817940098	DWVDMLQDCUKJJZ-GDBMZVCRSA-N	305.441	3.219	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(OC(F)F)c(F)c1	815834127	UMUHIWYBTAPHLS-UHFFFAOYSA-N	311.259	3.063	10	20	DGCD	
CCOc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1O	814285621	YODIVOYBLYVTTP-MDWZMJQESA-N	321.423	3.155	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cc(N(C)C)ccn2)c2c(O)ccc(F)c21	903198070	FDUZDJNGASSORG-IAQYHMDHSA-N	315.392	3.330	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCO2)c1ncc(C(=O)O)s1	900042062	ZIVHMJYPXQHMQE-JTQLQIEISA-N	318.398	3.017	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H](c2nncn2C)C(C)C)cc1	903063060	YKYWJMPGAZYUNA-WMLDXEAASA-N	315.465	3.319	10	20	DGCD	
Oc1cc2c(cc1CN[C@@H]1CSc3ccccc31)OCO2	735508885	PTDPFBKLHFEBCZ-GFCCVEGCSA-N	301.367	3.058	10	20	DGCD	
Cc1c(N[C@@H]2CCc3cccc(O)c32)cccc1N1CCNC1=O	834787466	MENZERCMOBZQLG-OAHLLOKOSA-N	323.396	3.330	10	20	DGCD	
CN(C)c1ccc(/C=C\CN2Cc3ccc(C(=O)O)cc3C2)cc1	901647093	XQAFXDKLWWZMKO-ARJAWSKDSA-N	322.408	3.480	10	20	DGCD	
C[C@H](CCC[C@@H](C)C(=O)O)NCc1ccc2c(c1)CCCO2	900022593	JUXOGUDELCCCQM-ZIAGYGMSSA-N	305.418	3.381	10	20	DGCD	
COc1ccc(CNC[C@](C)(O)c2ccc(F)cc2F)cc1C	734004200	UTXYHXKCEONWCD-SFHVURJKSA-N	321.367	3.279	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)n1-c1ccccn1	838260131	IFMLDMNFKDUOLN-HYVNUMGLSA-N	309.413	3.408	10	20	DGCD	
CCc1ccc([C@@H](C)CC(=O)NCc2ccc(O)cc2O)cc1	910951555	SZSHALPLDZCRKJ-ZDUSSCGKSA-N	313.397	3.470	10	20	DGCD	
COc1ccc(O)c(CNc2cc(SC)nc(SC)n2)c1	848665056	KQCWVJPPTRFKHK-UHFFFAOYSA-N	323.443	3.247	10	20	DGCD	
C[C@@H](NCC[C@@]1(O)CCCOC1)c1ccc2ccccc2c1O	846211918	ISAONSJKMQOKHG-KUHUBIRLSA-N	315.413	3.128	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)c2nc(C)no2)c1O	847059932	VRPPAHYDXNZGQB-MRVPVSSYSA-N	323.780	3.133	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CCN)C(F)(F)F)cc1F	841090074	DULXELCPPPYOOD-CQSZACIVSA-N	321.362	3.041	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(OC2COC2)cc1	840937986	BKXKQYVCELIDGI-UHFFFAOYSA-N	312.413	3.451	10	20	DGCD	
C[C@@H](COCC1CC1)NCc1cc(Br)ccc1O	846072822	IHKCZSFBTUYJHA-JTQLQIEISA-N	314.223	3.059	10	20	DGCD	
C[C@@H](Nc1ccc(N(C)CCO)cn1)c1cc(Cl)ccc1O	756846600	VQKBFNZKAHHPLH-LLVKDONJSA-N	321.808	3.042	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](O)COc2ccccc2)c(O)c1C	756394820	AHWUKSWOGAUOEI-CVEARBPZSA-N	315.413	3.100	10	20	DGCD	
CCCC[C@@H](Sc1ncc(C(=O)OCC)s1)C(=O)OC	853560290	SSRRZMHCTKMNST-SECBINFHSA-N	317.432	3.144	10	20	DGCD	
CCOc1ccccc1COC(=O)/C=C\c1ccc(O)c(O)c1	759592863	AVGHLIBGYRXCFW-NTMALXAHSA-N	314.337	3.253	10	20	DGCD	
COc1ccc2c(c1)CC[C@@H](NCc1cc(F)ccc1O)C2	753576344	RAMRIYBAGWHFOD-MRXNPFEDSA-N	301.361	3.187	10	20	DGCD	
CN(C)c1ccc(CN2CCOC[C@@H]2c2ccccc2)cc1F	769503817	NIPWXTBLGRAMBS-LJQANCHMSA-N	314.404	3.465	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1cc2c(nc1O)CCCC2	865878827	BVECESQVVUBVBJ-UHFFFAOYSA-N	318.804	3.315	10	20	DGCD	
CS/C=C/C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	764243952	YTFXGVIPANEFLW-CMDGGOBGSA-N	323.373	3.277	10	20	DGCD	
C[C@@H]1Cc2ccccc2CN1Cc1ccc(N2CCOCC2)cc1	769484605	XMWYCEYSRIVUCQ-QGZVFWFLSA-N	322.452	3.470	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cn1ccc(C(F)(F)F)n1	766341846	SCADBQHKLVUKOU-UHFFFAOYSA-N	311.307	3.321	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2scnc2C(C)(C)C)c1	862757713	CPDKVHQDDKDKEU-UHFFFAOYSA-N	304.415	3.385	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCC[C@H](C)C1)c1ccc(C)cc1O	1116889983	LUYGCSIBOAHMDP-RDJZCZTQSA-N	318.461	3.390	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@H]1OCCc2ccccc21	776176118	ZCZCPVBRNZJPEU-QGZVFWFLSA-N	303.789	3.449	10	20	DGCD	
Cc1ccc(NC(=O)N[C@H](C)c2ccccc2O)c(N(C)C)n1	879001908	MLXLNVUMTHWSOO-GFCCVEGCSA-N	314.389	3.044	10	20	DGCD	
C[C@H](NCc1cocn1)c1ccc(N2CCOCC2)cc1Cl	777035043	CUBSGHQBUNJFPA-LBPRGKRZSA-N	321.808	3.015	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@H](F)C1	1118127692	MSYGHUBNTNAHBZ-GJZGRUSLSA-N	307.413	3.175	10	20	DGCD	
CN1CCN(c2ccc(CN3C4CCCC3CCC4)cc2)CC1	775721781	YPKHYEFUUUFWRU-UHFFFAOYSA-N	313.489	3.345	10	20	DGCD	
CC(C)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	777301272	IZBAEMUAFLVSSQ-MRXNPFEDSA-N	321.465	3.316	10	20	DGCD	
C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(N(C)C)cc1	772995645	QJDSMOMUROBSJF-CYBMUJFWSA-N	316.376	3.148	10	20	DGCD	
CC[C@H](NCCC(=O)NC(C)(C)C)c1cc(Cl)ccc1O	775517879	AGMFYQSSEUNRGJ-ZDUSSCGKSA-N	312.841	3.391	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2C)C12CCC2	776156601	LUCQJVYAWGSTQX-QZTJIDSGSA-N	302.462	3.498	10	20	DGCD	
COC(=O)COc1ccc(N(C)C[C@H](C)c2ccccc2)cc1	784560466	XJQUZZFDFOPTQA-HNNXBMFYSA-N	313.397	3.478	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3cccnc3C)CC2)cc1	1207154304	OXUWWPDUSRKELP-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
CN(C)c1ccc(CNCC2(c3ccccn3)CCC2)cc1F	796513490	NVXRZGDOABFRME-UHFFFAOYSA-N	313.420	3.498	10	20	DGCD	
CC[C@H](NCCNc1cccc(C)n1)c1ccc(F)cc1O	796837555	DIONQGSMUDDYGX-HNNXBMFYSA-N	303.381	3.388	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1Cc2ccc(F)cc21	793043892	VNZQAHYXCQPYIM-LJQANCHMSA-N	324.399	3.382	10	20	DGCD	
CC(C)[C@@H](CNC(=O)Cc1ccc(N)cc1)Nc1ccccc1	1325977978	ZHZSPYJFNUSEAA-GOSISDBHSA-N	311.429	3.064	10	20	DGCD	
CC1(c2ccccc2)CC(NC(=O)NCc2ccc(N)cc2)C1	1335665262	HRMDGBQUZBDMTB-UHFFFAOYSA-N	309.413	3.188	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@@H](C)C1(F)F	1345650901	BHNFCSLSJLQESC-DOMZBBRYSA-N	310.388	3.391	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1Cc2ccccc2[C@H](C(=O)O)C1	1600237221	UZAJPAOHRPJNNQ-LJQANCHMSA-N	324.424	3.245	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)oc1C(=O)O	1600203887	YIVRBSXPGWTHKM-LBPRGKRZSA-N	302.374	3.203	10	20	DGCD	
CCC[C@](C)(NCc1ccc(N(CC)CC)c(F)c1)C(=O)O	1776750775	YRHXOUMIILOYDR-KRWDZBQOSA-N	310.413	3.405	10	20	DGCD	
Cc1ccc(C(=O)O)c(NCc2ccc(N3CCCC3)cc2)n1	1777435721	CXDOZWLUKCMEHP-UHFFFAOYSA-N	311.385	3.301	10	20	DGCD	
O=C(O)CC1(CNCc2c(O)ccc(Cl)c2F)CCCC1	1777631255	GOKJEDOUWQATGV-UHFFFAOYSA-N	315.772	3.309	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@H](N3CCCC3)CC2)c1	164394918	DSPAFAQJGNULOQ-SFHVURJKSA-N	302.462	3.459	10	20	DGCD	
CCOc1ccc(O)c(CN(C)CCOc2ccccc2)c1	154735837	QNWJDGPPTFUJNZ-UHFFFAOYSA-N	301.386	3.302	10	20	DGCD	
CC[C@H](NCCN1CCc2ccccc2C1)c1ccccc1O	154994313	XLIZSLNSCVYUTC-IBGZPJMESA-N	310.441	3.491	10	20	DGCD	
CN1CCC[C@@H](CNCc2cc(Cl)cc(Cl)c2O)C1	44534505	CIPVCWMHIVLCSB-JTQLQIEISA-N	303.233	3.130	10	20	DGCD	
C[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ccc(NC(N)=O)cc1	176985385	MPBLSABUNJLDLM-QWRGUYRKSA-N	317.364	3.434	10	20	DGCD	
CC(C)C[C@H]1CC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1	174070332	WXUUOLSNEWCWGX-KRWDZBQOSA-N	317.477	3.037	10	20	DGCD	
COc1ncc(Cl)c(N[C@@H](C)c2ccc(N(C)C)cc2)n1	302421820	OIEPLGXGHRPRRX-JTQLQIEISA-N	306.797	3.378	10	20	DGCD	
Cc1ccc([C@H]2COCCN2Cc2ccc(N(C)C)c(F)c2)o1	127271494	ILOYVHKFVBYLRX-QGZVFWFLSA-N	318.392	3.367	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3nc(C)nn3C)c2C)c1	186915726	YPQKJHXDIOOOME-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
Cc1cc(C(=O)Nc2ccnn2C)c(C)n1-c1ccc(F)cc1	120061695	QTMSDOCIINIMJJ-UHFFFAOYSA-N	312.348	3.219	10	20	DGCD	
CC[C@@H]1c2ccsc2CCN1C(=O)Cc1ccc(N)cc1	37811733	FGILSBPWHMFOLR-OAHLLOKOSA-N	300.427	3.409	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCCc2cccs2)c1	78726245	IVSUBIHXFAMWQR-UHFFFAOYSA-N	305.399	3.101	10	20	DGCD	
CCC(=CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC	122520556	JLSFPNXEXIKPBS-UHFFFAOYSA-N	320.408	3.025	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2sccc2C)cc1	183226809	NHSQDIKDJZIMEE-UHFFFAOYSA-N	305.399	3.245	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H]2CCO)cc1F	189979148	PANXXCKLAATLER-NVXWUHKLSA-N	308.441	3.313	10	20	DGCD	
CCN(CCNCc1ccc(OC)c(C)c1)C(=O)OC(C)(C)C	227874458	CBFQARXXFXWOPB-UHFFFAOYSA-N	322.449	3.350	10	20	DGCD	
Cc1csc([C@@H]2COCCN2Cc2cc(C)c(C)cc2O)n1	190411988	YSEFQQJIBIRVNB-HNNXBMFYSA-N	318.442	3.347	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(SC)CCC2)c1	195130576	CDVNLVHQVHWFRA-NSHDSACASA-N	324.446	3.047	10	20	DGCD	
c1ccc(-n2cnc(COc3ccc(N4CCCC4)cc3)n2)cc1	92316645	ZGYIFRDLDNGOSC-UHFFFAOYSA-N	320.396	3.447	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C\c2ccc(Cl)cc2)c1	255028188	UDLAXZAMNKXRFB-WTKPLQERSA-N	317.772	3.384	10	20	DGCD	
COc1ccc(N(CCC2OCCCO2)[C@@H](C)C2CC2)cc1	267903132	CHHIGCXKJUMBQJ-AWEZNQCLSA-N	305.418	3.453	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc(C)ccc2O)cc1[N+](=O)[O-]	273566064	JOZAGZOXHXBENL-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CCC2(CCC2)CC1	368591935	JHIUSAZUSURFMH-UHFFFAOYSA-N	300.446	3.289	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc([C@H]3CCOC3)c2)cc1	270546067	ZJAYRHNCDPVVAC-SFHVURJKSA-N	324.424	3.187	10	20	DGCD	
Cc1oc(C(C)C)cc1C(=O)NCCc1ccc(O)c(O)c1	286770949	NNCOKVKHDSWKLM-UHFFFAOYSA-N	303.358	3.095	10	20	DGCD	
CCCCN(Cc1ccc(C(N)=O)cc1)Cc1ccccc1O	282435160	KLJWFHIHYCUQKD-UHFFFAOYSA-N	312.413	3.293	10	20	DGCD	
Cc1nc2cccc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2[nH]1	801953589	RLYLEQUVTTVAML-GFCCVEGCSA-N	322.412	3.428	10	20	DGCD	
CC[C@H](C)CONC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	813829201	GCYIOKWQYXLUHX-AWEZNQCLSA-N	319.449	3.404	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cnc3c(C)cccn23)c1	813331685	RDWGKXQMTBWLJK-CYBMUJFWSA-N	311.385	3.208	10	20	DGCD	
Cc1ccccc1C(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1	818336494	AKNWJKGAYRNIKR-PKNBQFBNSA-N	311.381	3.471	10	20	DGCD	
C[C@@H]1C[C@@H](NCCc2ccc(N)cc2)c2c(O)ccc(F)c21	817958409	VJMMGFQZLXUIHF-IAQYHMDHSA-N	300.377	3.494	10	20	DGCD	
CCCN(CC)C[C@H](C)NCc1cc(Cl)cc(F)c1O	811520465	PGRDDOXRMBDYPS-NSHDSACASA-N	302.821	3.395	10	20	DGCD	
CCN(C(=O)c1cc(C)ccc1-n1c(C)ccc1C)[C@@H](C)CO	818633767	GBEAMYUMXGDCSY-INIZCTEOSA-N	314.429	3.245	10	20	DGCD	
OCC[C@H](NCc1ccc(N2CCCCC2)cc1)C(F)(F)F	821207684	XMGXSYASWDKJKW-HNNXBMFYSA-N	316.367	3.080	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)[C@@H](C)c2ccccc2)c(OC)c1	828474178	CQYXTHLVJSYKCE-KSSFIOAISA-N	315.413	3.305	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@]2(c3ccccc3)CCCO2)c1	827167913	UGCZUTBMQLVEKP-LJQANCHMSA-N	311.381	3.023	10	20	DGCD	
COCCC[C@@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839920208	NHXXSYXIVXFFGG-GDBMZVCRSA-N	320.477	3.171	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(CCCNCc2ccc(N(C)C)c(F)c2)C1	733324569	KVRFSIPJAOFXPR-IYBDPMFKSA-N	321.484	3.349	10	20	DGCD	
CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)/C=C/c1ccc(O)c(O)c1	836888011	IGJAKXPARQKEHI-SFVKERMGSA-N	303.402	3.250	10	20	DGCD	
CO[C@@H]1COCC[C@@H]1CN[C@@H](C)c1ccc2ccccc2c1O	834880489	GFMYCZGXYFPQSW-JCKWVBRZSA-N	315.413	3.248	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1ncc(Cl)n1C)CCC2	839655997	YCXIZTQJISOPHP-UHFFFAOYSA-N	321.808	3.044	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](C)[C@@H]1C	745826396	AHYHEQOSCWOCCO-ZFWWWQNUSA-N	303.450	3.391	10	20	DGCD	
CC(C)[C@H]1C[C@H](Cc2nc(Cc3ccc(N)cc3)no2)CCO1	843158651	FRECRUFKIHLCDE-GDBMZVCRSA-N	315.417	3.236	10	20	DGCD	
Cc1ccc(OCCCC(=O)NCc2ccccc2O)cc1C	746688971	MMTIWMAGAJYCSN-UHFFFAOYSA-N	313.397	3.484	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@@H]1NCCc2ccccc21	841068858	JCINWPPMTZDZGK-INIZCTEOSA-N	302.805	3.022	10	20	DGCD	
COc1cc(O)c(CN[C@H]2CCc3ccc(C)cc32)cc1OC	846055442	MCWLNNCUNUQOHL-INIZCTEOSA-N	313.397	3.495	10	20	DGCD	
Oc1ccc(Cl)cc1CN1C[C@@H](O)C[C@H]1c1ccccc1	840956150	HJOQFQOCQJZHDN-HOTGVXAUSA-N	303.789	3.354	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@H](C)C1CC1	840488104	JIOFOASOPVYSFG-HUUCEWRRSA-N	317.477	3.432	10	20	DGCD	
CO[C@@H](C)CCN[C@@H](C)c1cc(Br)c(F)cc1O	756525392	BMDMUQLHOXXHDF-IUCAKERBSA-N	320.202	3.369	10	20	DGCD	
C[C@H](NCc1ccc(OCc2ccccc2)cc1O)C(C)(C)O	753552468	CSQPWERPOATWLC-AWEZNQCLSA-N	315.413	3.220	10	20	DGCD	
C[C@@H]1CCCN([C@H](C)CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1	756413094	XPEOPVFXNUCGNP-MGPQQGTHSA-N	321.421	3.071	10	20	DGCD	
CCOCCC(=O)NCc1cc(C)n(-c2ccccc2)c1C	863165269	QPIPHNKGLOFYMD-UHFFFAOYSA-N	300.402	3.137	10	20	DGCD	
CO/C(=C/c1ccccc1)C(=O)N(C)Cc1ccc(N(C)C)cc1	763995313	MILIWWJGUZGUSF-XMHGGMMESA-N	324.424	3.399	10	20	DGCD	
COc1cc(CN2CCC[C@@H](N3CCCC3)CC2)c(O)cc1C	768445682	IBNWETGDVBBHRC-QGZVFWFLSA-N	318.461	3.160	10	20	DGCD	
COc1cc(Br)cc(CN(C)CC(C)C)c1O	768242844	DBVKODZVZBISFJ-UHFFFAOYSA-N	302.212	3.251	10	20	DGCD	
CC[C@@H](N[C@H]1C[C@@H](CO)C1)c1ccc(C(F)(F)F)cc1O	866415911	IDMGZYPYQBRDCG-SUZMYJTESA-N	303.324	3.223	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1nncn1-c1ccccc1	769707478	JKQBJEWVFVOOOX-UHFFFAOYSA-N	320.396	3.229	10	20	DGCD	
Cc1cccc(O)c1CN1CC[C@H](c2ccccc2)[C@H](CO)C1	877628302	GKWZMICHDYOCDE-ZWKOTPCHSA-N	311.425	3.299	10	20	DGCD	
CC(C)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n[nH]1	773008605	HFTYMCAACYKHMU-GFCCVEGCSA-N	300.406	3.090	10	20	DGCD	
CCCN(CCC)C(=O)CCCC(=O)N(C)c1ccc(N)cc1	877078240	IXSPULOJNKOKKH-UHFFFAOYSA-N	319.449	3.051	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)C[C@@H]1CCCC[C@H]1O	779154989	XVRDFQAPQLYSJS-IINYFYTJSA-N	301.789	3.168	10	20	DGCD	
COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1	779605428	SDTCSLUYLCZJAL-MRXNPFEDSA-N	318.461	3.164	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCC(F)F)c1	1124029359	ZFMQIMYYXJTLGY-UHFFFAOYSA-N	320.339	3.292	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc(-c2ccccc2)nn1	773276300	UUVRISGDRYGESR-UHFFFAOYSA-N	320.352	3.171	10	20	DGCD	
CC1(C)Cc2cccc(NCc3cc4c(cc3O)OCO4)c2O1	788973019	LEQHZHSFWFSTLS-UHFFFAOYSA-N	313.353	3.447	10	20	DGCD	
C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cc2c(cc1O)OCO2	780791980	DMDWHDPCIYZJJD-ONGXEEELSA-N	317.307	3.284	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](CF)C1	883140332	QJAAJMXNMOVFPQ-INIZCTEOSA-N	319.424	3.178	10	20	DGCD	
CCN(Cc1ccc(OC)c(OC)c1O)[C@@H]1CCOC(C)(C)C1	894535830	OHQDVSSHOPLLJA-CQSZACIVSA-N	323.433	3.189	10	20	DGCD	
OC12C[C@H]3C[C@@H](C1)CC(NCc1ccc4c(c1)CCCO4)(C3)C2	894516036	YMEJKMIRGFHGSY-BANKROOTSA-N	313.441	3.185	10	20	DGCD	
COc1ccc(CN(CCO)Cc2cccc(Cl)c2O)cc1	895709693	BNKJJJGWDYILMH-UHFFFAOYSA-N	321.804	3.049	10	20	DGCD	
COc1ccc(CNCc2ccnn2-c2ccccc2C)c(O)c1	793388131	MSIRKONJIADAME-UHFFFAOYSA-N	323.396	3.185	10	20	DGCD	
CO[C@H]1CCCN(Cc2ccc(Br)cc2O)CC1	691682480	PMRMCHPPHQWNQC-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
CC[C@H](NC[C@H](C)CNC)c1ccc(C(F)(F)F)cc1O	1326474174	TYYIPEGPXJPJNE-MFKMUULPSA-N	304.356	3.307	10	20	DGCD	
FC(F)c1nccnc1NCCCSc1nccs1	1323616604	ABMCEYQGTJGVBV-UHFFFAOYSA-N	302.375	3.465	10	20	DGCD	
C[C@H]1c2ccc(F)cc2CCN1C(=O)NCc1ccc(N)cc1	1357790675	FWKBTSDSLIVFFG-LBPRGKRZSA-N	313.376	3.237	10	20	DGCD	
Cc1cc(CN[C@](C)(C(=O)O)c2ccccc2)ccc1N(C)C	1605173008	QQTFLZAGJXZUMR-IBGZPJMESA-N	312.413	3.151	10	20	DGCD	
Cc1cc(C(=O)O)ccc1[C@H](C)NCc1ccc2c(c1)CCO2	1600116864	MZCWYKHKQSKNNA-ZDUSSCGKSA-N	311.381	3.479	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)NCc1cccc(Cl)c1O	227690956	BTOWXXYJBVEDLM-JTQLQIEISA-N	314.813	3.048	10	20	DGCD	
CCN(Cc1ccc(N2CCCCC2)c(C)c1)[C@@H](C)C(=O)O	1589736610	GOYKEIFJCBLPDN-HNNXBMFYSA-N	304.434	3.280	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC2(CCNCC2)CC1	1580888615	RWAZWDSMNJWDOT-UHFFFAOYSA-N	312.816	3.150	10	20	DGCD	
CCCCN(Cc1ccc(C(=O)O)cn1)Cc1ccccc1O	1595749094	GIFXTHPMYROQBJ-UHFFFAOYSA-N	314.385	3.288	10	20	DGCD	
C[C@]1(C(=O)O)CCCC[C@@H]1NCc1ccc2c(c1)CCCO2	1776503354	FPPDFAJDTVEFSJ-WMZOPIPTSA-N	303.402	3.135	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@H]1C	161298600	NBBRNMJAPKMYDA-CHWSQXEVSA-N	307.413	3.079	10	20	DGCD	
Cc1ncc(CNCc2cc(Cl)cc(Cl)c2O)n1C	689225694	JOMWWAVCSOHKNO-UHFFFAOYSA-N	300.189	3.031	10	20	DGCD	
Cc1ccc([C@H](C)NCc2c(Br)cnn2C)c(O)c1	693433320	ZGAUINNGQIIQSB-JTQLQIEISA-N	324.222	3.047	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C2CCC2)cc1	102902077	MZXOMZMBPZWDLD-QGZVFWFLSA-N	301.434	3.227	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCN(C2CCCCC2)C1	177677458	HIKCNLNYHJEJHE-INIZCTEOSA-N	316.445	3.005	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3ccc(Cl)cc32)c(O)c1O	179534013	NLDQLXXLECEGPU-UHFFFAOYSA-N	303.745	3.263	10	20	DGCD	
CCn1c(C)nnc1CN(c1ccc(OC)cc1)[C@@H](C)C1CC1	171937958	KKALVKITCZLVBT-ZDUSSCGKSA-N	314.433	3.420	10	20	DGCD	
C[C@@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(F)cc1O	186230478	PPHNPOOGVAFVOZ-OCCSQVGLSA-N	309.381	3.258	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](CN(C)C)C2)cc1F	125490816	GSXKVPHYJCZQMM-MRXNPFEDSA-N	307.457	3.055	10	20	DGCD	
CC[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1	181031190	YYYISXAENWROLV-PXUDHTSWSA-N	311.381	3.249	10	20	DGCD	
C[C@H](CCS(C)(=O)=O)N[C@H](C)c1ccc2ccccc2c1O	185791053	QDIJVLHHCNANGT-CHWSQXEVSA-N	321.442	3.019	10	20	DGCD	
CSCC[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1	127239666	CDGKFELYTAUXNU-AWEZNQCLSA-N	319.474	3.004	10	20	DGCD	
CCO[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	75883079	HBNGOTLCGSPVNZ-HNNXBMFYSA-N	304.434	3.060	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](O)c2ccsc2)cc1	219097365	OMDPNIVYYQKMSQ-QGZVFWFLSA-N	304.459	3.418	10	20	DGCD	
COc1cccc(CNC(=O)NC2C[C@@H](C)C[C@H](C)C2)c1O	74384645	OAXSJPPVFHEHKP-RYUDHWBXSA-N	306.406	3.025	10	20	DGCD	
CCc1nn(C)c(CC)c1CN(C)c1ccc(OC)c(F)c1	180774743	BXEZBCJRVISMJN-UHFFFAOYSA-N	305.397	3.329	10	20	DGCD	
CCCCSCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183461115	CQHPSGNPLFBDFW-LBPRGKRZSA-N	311.447	3.068	10	20	DGCD	
COCC[C@](C)(O)CN[C@@H](C)c1cc(Cl)c(Cl)cc1O	192871847	IPGWHEZEPPLAFU-XPTSAGLGSA-N	322.232	3.137	10	20	DGCD	
COc1cccc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)c1	320696619	FINIECHKDMZCGQ-UHFFFAOYSA-N	317.360	3.375	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H]2CC(C)(C)OC2(C)C)c1O	132401122	SCSVLUXSSCSUGF-AWEZNQCLSA-N	309.381	3.170	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OCC(=O)NCc3ccco3)cc12	421206803	WALQCUPAWWCFMZ-UHFFFAOYSA-N	312.369	3.083	10	20	DGCD	
C[C@H](c1cccc(O)c1)N(C)Cc1cc2c(cc1O)OCO2	93316108	QAWQOKFMHSYJGM-LLVKDONJSA-N	301.342	3.020	10	20	DGCD	
CC[C@H](C)[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1	268812370	FCMKMZHQBRVWNK-JKSUJKDBSA-N	304.478	3.420	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC([C@@H](O)c2ccccc2)CC1	272329490	WBOSAAUJRTUZBF-IBGZPJMESA-N	315.388	3.477	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCCN2CCC[C@@H]2C1	378352359	VMSNXLZAISWEOH-HXUWFJFHSA-N	313.489	3.347	10	20	DGCD	
CC[C@@H](NCCN(C)CC(F)(F)F)c1ccc(C)cc1O	280236993	VQDOEZRKKUTYTL-CYBMUJFWSA-N	304.356	3.235	10	20	DGCD	
COc1ccc([C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1O	289596004	FRFTUHUZLQTAMK-LBPRGKRZSA-N	318.392	3.457	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCO[C@@H](C)C1	282429595	HISVPVZASAKHTR-GJZGRUSLSA-N	305.418	3.336	10	20	DGCD	
CCOC(=O)CC(C)(C)CCN(C)c1ccc2c(c1)OCO2	805747372	BPVOKKLSPHONEB-UHFFFAOYSA-N	307.390	3.221	10	20	DGCD	
CCc1nc(C)cc(NCc2cccc(Br)c2O)n1	804654391	PGDCDKAORICURI-UHFFFAOYSA-N	322.206	3.428	10	20	DGCD	
O=[N+]([O-])c1ccc(NC(=S)NNc2ccccc2F)cc1	812475085	SOIASWBXEZPUET-UHFFFAOYSA-N	306.322	3.047	10	20	DGCD	
C[C@@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCC2)c(F)c1	817976854	VNDSFDMWXKXKAH-KBMXLJTQSA-N	323.431	3.167	10	20	DGCD	
Cc1ccc2c(c1)/C(=C/c1cn(-c3ccccc3)nn1)C(=O)N2C	811699403	TZLXRWZXZOVFHP-BOPFTXTBSA-N	316.364	3.093	10	20	DGCD	
CC1(C)CN(Cc2ccccc2O)C[C@](C)(C(F)(F)F)O1	816643073	UJUQRVIZZAXKCG-CQSZACIVSA-N	303.324	3.324	10	20	DGCD	
Cn1c(=O)oc2c(NCc3cc(Cl)c(F)cc3O)cccc21	816558588	FJVPFMVOBWEAEN-UHFFFAOYSA-N	322.723	3.242	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCC[C@H]1c1ccccc1	827720950	XOQCWTJYFRHRCI-IRXDYDNUSA-N	311.381	3.298	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1Cl	827554395	DHIRBMNBBLHQND-LBPRGKRZSA-N	324.852	3.091	10	20	DGCD	
Cc1cc(O)c(CN(CCCO)CC(F)(F)F)cc1Cl	824710564	VZZIJBFIFIELRO-UHFFFAOYSA-N	311.731	3.101	10	20	DGCD	
CN(Cc1c(O)ccc2ccncc12)C[C@@](C)(O)c1ccccc1	842622408	AWCFAVREYLOIQC-HXUWFJFHSA-N	322.408	3.280	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@H](C)CO1	845125031	KPUGBDOOLHZRDQ-CKEIUWERSA-N	319.449	3.023	10	20	DGCD	
Cc1ccc(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)cc1C	840148742	VKOPPWDKJRQYBV-GOSISDBHSA-N	313.397	3.067	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H]1C(C)C	840478696	BJAGFOKZJSWPIK-QAPCUYQASA-N	317.477	3.432	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1(Cl)CC1	924759427	IZKZTUVQIRDZDR-AWEZNQCLSA-N	322.880	3.145	10	20	DGCD	
CCOc1ccc(N(CC)Cc2nc(COC(C)C)no2)cc1	929914246	XXGPHNXJEIQKCD-UHFFFAOYSA-N	319.405	3.420	10	20	DGCD	
COC[C@@H](C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1	755342038	HPBMKNAQGFMORE-INIZCTEOSA-N	318.461	3.212	10	20	DGCD	
CCC/C(C)=C/C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	920286523	ZLSWGAYERWPWLK-JQIJEIRASA-N	316.445	3.228	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)OCC1CC1	920818164	BJPGMRRICLVPOW-OAHLLOKOSA-N	318.461	3.305	10	20	DGCD	
C[C@H](NC[C@]1(O)CCCc2ccccc21)c1cc(F)ccc1O	756561607	FQOAMSYGNNAMGC-ORAYPTAESA-N	315.388	3.406	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCO[C@H](C(C)C)C2)c1	934940657	SVGHHLGYPGCLOM-AHIWAGSCSA-N	321.417	3.029	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC3(CCCC3=O)CC2)c1O	852631122	ICDDYMNAHUGGJK-UHFFFAOYSA-N	319.376	3.069	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](OC)C1(C)C	753557527	OQUBLEGSWQNDLC-JKSUJKDBSA-N	320.433	3.127	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)CCC3(C)CC3)CC2)cc1	931577979	HBKXCUBKWPLBLA-UHFFFAOYSA-N	316.445	3.361	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cc(C)on1	930905758	OXIGCDKEOJWISV-UHFFFAOYSA-N	315.417	3.030	10	20	DGCD	
CO/C(=C\c1ccccc1)C(=O)NCc1ccc(N(C)C)cc1	763955059	UMVYJZOBJCXLHE-AQTBWJFISA-N	310.397	3.056	10	20	DGCD	
COCCC1(C)CN(Cc2c(O)cccc2Br)C1	862390418	WQPLKDXGCKXONU-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
CNc1snc(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	775406898	PYVHXRJTYPBMFS-SNVBAGLBSA-N	318.446	3.050	10	20	DGCD	
CCc1nc([C@H]2CCCCN2Cc2c(C)cccc2O)no1	876627896	KMCWOQGIWHHJFW-CQSZACIVSA-N	301.390	3.373	10	20	DGCD	
Cc1noc(CCCN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)n1	1116569020	YCLCYRLYWSUSFG-AAEUAGOBSA-N	301.390	3.163	10	20	DGCD	
CC[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876613864	WVXDHTAEJFZELN-INIZCTEOSA-N	302.462	3.270	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)c2cc(C)oc2C)c(O)c1	1116876866	DUUHGMICADXQJC-LLVKDONJSA-N	318.373	3.171	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCO[C@H](C)C1	776300978	IZUPQKUSXHHOOI-WBVHZDCISA-N	318.461	3.305	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2cc(OC)ccc2O)C12CCCC2	776224587	UKBWLULIUNRRQB-SJORKVTESA-N	305.418	3.228	10	20	DGCD	
C[C@H](NC(=O)NC1CCSCC1)c1ccc(N(C)C)cc1	773305718	ITMGDMLLWQGEKK-LBPRGKRZSA-N	307.463	3.008	10	20	DGCD	
C=C/C=C/CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	883267563	KFIFTNFXPCBDHC-MBVDDHJVSA-N	304.409	3.445	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCN2CCCO[C@H](C)C2)c(O)c1	788783719	NSFRFCACQFUTFO-SJORKVTESA-N	320.477	3.161	10	20	DGCD	
CCN(CCN[C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C	390816918	NAASPDNYEHRKSR-AWEZNQCLSA-N	320.433	3.226	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O	894868239	WSZYNFQPZJCRFF-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
C[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1	798420242	MTWBNPOLJQOLCL-DOTOQJQBSA-N	313.445	3.298	10	20	DGCD	
C[C@@H](NCc1cc(Br)cc(F)c1O)C(F)(F)F	715812068	IJWJQDACCBAIPJ-RXMQYKEDSA-N	316.092	3.334	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@H]2CC[C@@H](C)C2)cc1C	1167597125	QIFAMTSPKRACIX-PBHICJAKSA-N	318.461	3.036	10	20	DGCD	
O=C(Nc1nc2cc(F)c(F)cc2s1)c1cccc(O)c1O	1324922814	ZABOFUPMLKRXAB-UHFFFAOYSA-N	322.292	3.238	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC1(C(F)(F)F)CC1	1333850027	VJDIVUDFXWRICL-UHFFFAOYSA-N	316.323	3.409	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCC[C@@H]1C[C@H]2CC[C@H]1O2	1330867708	PCTFOVASKHMPAI-BHIYHBOVSA-N	300.446	3.334	10	20	DGCD	
CO[C@H]1CCC[C@H]1CNCc1c(O)cccc1Br	1351329752	HYIVTWYRPYSCET-HZMBPMFUSA-N	314.223	3.059	10	20	DGCD	
COc1ccc(C(=O)[C@@H](C)Sc2ncc(C(=O)O)s2)cc1	1607201776	PHUJCCISZGMLAV-MRVPVSSYSA-N	323.395	3.213	10	20	DGCD	
CC1(C)[C@@H]2NCCC[C@H]2[C@H]1NCc1ccc(N2CCCC2)cc1	1576389925	NIZYANAQFZRDRI-GUDVDZBRSA-N	313.489	3.153	10	20	DGCD	
Cc1cccc(CC(=O)NCCc2ccc(N)cc2)c1Cl	1579759655	QRAFXLWLNKUYAL-UHFFFAOYSA-N	302.805	3.132	10	20	DGCD	
CN(C)c1ccc(CN2Cc3ccccc3C[C@H]2CC(=O)O)cc1	1777039702	QQIHBCIDQRBTCP-IBGZPJMESA-N	324.424	3.154	10	20	DGCD	
Cc1cc(O)c(CNc2nncn2Cc2ccccc2)cc1C	158953372	YMUYWQNBAHAPJP-UHFFFAOYSA-N	308.385	3.261	10	20	DGCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)C1CCOCC1	163638812	DWTAMKSKLDYIHX-HNNXBMFYSA-N	320.502	3.145	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CCOc2ccccc2)c1	157885519	AZJOQDMCQSWEET-ZDUSSCGKSA-N	315.369	3.047	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1nnc(C(C)(C)C)s1	56736570	RPGBTGDZACRJES-UHFFFAOYSA-N	320.418	3.205	10	20	DGCD	
CN(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccccc1O	109770131	XHNCOTVHSFCCDD-WBVHZDCISA-N	316.445	3.005	10	20	DGCD	
CCc1nc([C@H](C)NC(=O)N(C)Cc2ccccc2O)cs1	111895371	WTGUTZKYDJRVGX-NSHDSACASA-N	319.430	3.314	10	20	DGCD	
CN(C)c1ccc(CN2CCCN(C3CCCC3)CC2)cc1	179768723	DBOPLEXBPNZFRL-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C[C@@H](C)C3CC3)CC2)cc1	68017693	CEFYMWMRTUPXIM-OAHLLOKOSA-N	316.445	3.170	10	20	DGCD	
CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1ccccc1O	179889626	ZKYRHNUZTVDPSF-HNNXBMFYSA-N	312.413	3.092	10	20	DGCD	
CSC1(CN[C@H](C)c2ccc(F)c(F)c2O)CCOCC1	187789853	JZWWCBKHACGQMD-SNVBAGLBSA-N	317.401	3.233	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1C=CCCC1	188342421	JCLQHXWDZZCDOX-AWEZNQCLSA-N	300.402	3.224	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(Cl)cc2C)c1	125921396	IBBUWAZXWQZBQN-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCCCSc2nccs2)C1(C)C	181773856	DVLHPUWNNIACEI-VXGBXAGGSA-N	300.493	3.419	10	20	DGCD	
O=C(NC1CC1)c1ccc(NCc2cc(F)ccc2O)cc1	317698864	GZLPZWYWKHHZSZ-UHFFFAOYSA-N	300.333	3.036	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2nc(CCC(C)C)no2)c1	182367785	DOJDCKBTJNQAPI-LBPRGKRZSA-N	319.405	3.223	10	20	DGCD	
CCc1ccccc1CNCc1ccc(N2CCOCC2)cc1	77901773	FTYJSXLJSDSCEQ-UHFFFAOYSA-N	310.441	3.375	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCCOc1ccccc1	45210612	JROSYXBXRFNNRY-UHFFFAOYSA-N	314.385	3.003	10	20	DGCD	
C[C@H](NC[C@H](O)c1ccccc1F)c1ccc(F)c(F)c1O	191212782	FNOLIBIMLKDDMQ-XPTSAGLGSA-N	311.303	3.194	10	20	DGCD	
Cc1cnc(=S)n(CN(C)Cc2ccc(N(C)C)cc2)c1	130816236	QUCDJUJQISSHTQ-UHFFFAOYSA-N	302.447	3.077	10	20	DGCD	
Cc1coc(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21	339901029	NLKQAWVMOYYASI-UHFFFAOYSA-N	300.358	3.002	10	20	DGCD	
CCS[C@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1	267356728	RYJZPGCJKVTTPZ-KBPBESRZSA-N	308.447	3.256	10	20	DGCD	
CCCCN(CC(F)(F)F)C(=O)c1ccc(C)c(O)c1O	271273527	MKBSLYBPQPKPIQ-UHFFFAOYSA-N	305.296	3.211	10	20	DGCD	
Cc1ccc(O)c(CNC[C@H](O)c2cc(F)cc(Cl)c2)c1	278302150	AAUYYZBSGCJJCS-INIZCTEOSA-N	309.768	3.316	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H](O)c2ccc(C)cc2)c1O	278806303	YFQZQEVZRTWXID-OAHLLOKOSA-N	321.804	3.186	10	20	DGCD	
Fc1cc(CN[C@H]2CCC23CCC3)ccc1N1CCOCC1	282427403	YVQCRAXJHYYRTG-KRWDZBQOSA-N	304.409	3.085	10	20	DGCD	
OC[C@H]1CN(Cc2c(O)cccc2Cl)CC[C@H]1C(F)(F)F	289238478	DLWJZXKUAABADK-MWLCHTKSSA-N	323.742	3.038	10	20	DGCD	
C[C@H](NC[C@@H]1OCCc2ccccc21)c1ccc(F)cc1O	371869688	JVXDHMHAIJTRGN-SGTLLEGYSA-N	301.361	3.496	10	20	DGCD	
COc1ccccc1N(CCO)Cc1cc(Cl)ccc1O	809793494	YWFWVUBRCSNOOE-UHFFFAOYSA-N	307.777	3.053	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@H](CO)Cc2ccco2)c1O	808703781	WFVHLNLOEZTETC-CHWSQXEVSA-N	323.820	3.449	10	20	DGCD	
Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccccc1O	299463024	CMCOVGGLLSNFCX-UHFFFAOYSA-N	304.415	3.385	10	20	DGCD	
COc1ncc(CNCc2ccc(N(C)C)cc2)cc1Cl	294932509	GHCQIZUPPSCBIR-UHFFFAOYSA-N	305.809	3.099	10	20	DGCD	
C[C@@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)CN(C)C	813785916	HXQUKVSMNNLJNE-LBPRGKRZSA-N	317.399	3.059	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCc1ccc2c(c1)CCO2	816550030	GJHOUMYWBJYSEJ-UHFFFAOYSA-N	321.779	3.452	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CC[C@H]2O)c(C)n1-c1ccc(Cl)cc1	819684121	QWXHAVQBCXGQSK-HZPDHXFCSA-N	318.804	3.001	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(CCN)cc2)c2c(O)ccc(F)c21	817950253	XDFSHVSVVMAAMJ-WBMJQRKESA-N	314.404	3.371	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nccc3ccccc23)c1	728982170	JGZADIDYEAOCFS-LBPRGKRZSA-N	322.364	3.440	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCO[C@@H](c3ccncc3)C2)cc1	824948872	VGPWWARZLKDWQR-PKOBYXMFSA-N	311.429	3.158	10	20	DGCD	
Cc1cccc([C@@H](O)CNCCCSc2nccs2)c1	905109907	KBZDPHVCSCMBAH-AWEZNQCLSA-N	308.472	3.257	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](CCCO)C2)cc1F	825337697	IJFWDWOLJKCRPZ-HNNXBMFYSA-N	308.441	3.266	10	20	DGCD	
CN(CC[S@](C)=O)c1ccc(OCc2ccccc2)cc1	829092752	NFTOFECWPCEKRG-NRFANRHFSA-N	303.427	3.080	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)/C=C/[C@@H]1CCOC1	831909364	LWDPPPWAXYJQTG-XVJNWHFHSA-N	303.402	3.114	10	20	DGCD	
O=C(CSc1nccs1)NC1C2CC3CC(C2)CC1C3	917612860	GNCYJZXLAQGLSW-UHFFFAOYSA-N	308.472	3.176	10	20	DGCD	
C[C@H](N[C@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl	842929685	RATPUXZZPKSVER-HZSPNIEDSA-N	324.852	3.005	10	20	DGCD	
Cc1cc(F)cc(C(=O)NCc2ccc3c(c2)CCCN3C)c1	742596829	CZPYAODQANUANS-UHFFFAOYSA-N	312.388	3.447	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)[C@H]1C	841889348	BZEUDNMZZFGTIV-QLFBSQMISA-N	306.425	3.139	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@H]1C1CC1	840394017	LTWWQMYSOVDJBC-HOCLYGCPSA-N	302.418	3.360	10	20	DGCD	
CCOc1cccc(NC(=S)NCc2cccc(F)n2)c1	747723134	XPFFLJALTQYXGD-UHFFFAOYSA-N	305.378	3.106	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(C(=O)CSc2ncc(Cl)s2)C1	849998927	UMOJGVXNLWOMNS-DTORHVGOSA-N	304.868	3.393	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\c1ccsc1	742952291	KFSQKGFSSQLTCG-UTCJRWHESA-N	314.410	3.253	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNC/C=C\CO)cc1	850357321	FPYNHLIHUSBWPB-IHWYPQMZSA-N	302.443	3.023	10	20	DGCD	
C[C@@H](N[C@@H]1CNCC[C@@H]1c1cccc(F)c1)c1ccccc1O	854222310	FBYSKQVRFVXICI-FSPWUOQZSA-N	314.404	3.328	10	20	DGCD	
COCc1cccc(CN(C)c2ccc(OC)cc2OC)c1	752126456	SLZCUBPJYKCCEP-UHFFFAOYSA-N	301.386	3.487	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)c(O)c1C	756503401	NIAHEUICACEJGB-QWHCGFSZSA-N	316.367	3.296	10	20	DGCD	
C[C@H](CCCC(F)(F)F)NC(=O)NCc1ccccc1O	755295536	FGEIDJFRVOZFHT-SNVBAGLBSA-N	304.312	3.313	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H]2CCCN(CC3CC3)C2)c1O	853239253	CVWNBAXPMOPASN-HOCLYGCPSA-N	318.461	3.173	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CCC34CCCC4)cc2)CC1	850568387	WVGLAGTZYUZVBS-LJQANCHMSA-N	314.473	3.460	10	20	DGCD	
Cc1cc(C)n(CCCN[C@H](C)c2cc(F)cc(F)c2O)n1	756374166	YNNDTPYUFKYKSO-GFCCVEGCSA-N	309.360	3.225	10	20	DGCD	
C[C@@H](NC(=O)Nc1cnn(C2CCC2)c1)c1ccccc1O	934299725	ISFKAYJYJXFOJI-LLVKDONJSA-N	300.362	3.196	10	20	DGCD	
CCc1ccc([C@@H](C)NC(=O)CN(C)c2ccc(N)cc2)cc1	863556673	CEZWHXNKEOGEJR-CQSZACIVSA-N	311.429	3.145	10	20	DGCD	
CC(C)[C@H](N[C@H](C)c1cc(F)ccc1O)[C@H](O)C(F)(F)F	866464887	ZNXUCUVPNTXGDC-JCOFBHIZSA-N	309.303	3.130	10	20	DGCD	
COC(=O)[C@@H](C)CN(Cc1cc2c(cc1O)CCCC2)C1CC1	768451287	MIYZCPRBSDCXNL-ZDUSSCGKSA-N	317.429	3.045	10	20	DGCD	
CCCc1nc(C)c(C(=O)NCc2cc(C)ccc2O)s1	862760858	XNICODBPISVKJA-UHFFFAOYSA-N	304.415	3.348	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csc(C(C)=O)c1	935946018	TVUVIACAXUHIHE-UHFFFAOYSA-N	324.398	3.072	10	20	DGCD	
Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)n1C	769563922	OBZDDRZHRJBAKH-UHFFFAOYSA-N	312.413	3.156	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C	876745778	LSORQTMHMVMLQT-CVEARBPZSA-N	302.462	3.126	10	20	DGCD	
C[C@H](NC(=O)CCCc1ccccn1)c1ccc(N(C)C)cc1	773016718	ATRQLBMCFUGKMD-HNNXBMFYSA-N	311.429	3.348	10	20	DGCD	
Cc1ccc(CNC[C@H](c2cccc(F)c2)N(C)C)c(O)c1	876883815	BZSCHRRDYAGAMD-QGZVFWFLSA-N	302.393	3.232	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCN(Cc2cccs2)CC1	775644527	MYIQBVNMLYJUPH-UHFFFAOYSA-N	322.861	3.425	10	20	DGCD	
CCCCOCCCNCc1cc(Cl)cc(OC)c1O	76274225	ZUTWJBBQMUPEBC-UHFFFAOYSA-N	301.814	3.351	10	20	DGCD	
COc1ccc(CNCc2ccccc2Cl)c(O)c1OC	892450339	AMWFDDNVWICUOY-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)c(O)c1O	780904089	YADITMJOZXWMPZ-GXFFZTMASA-N	301.342	3.053	10	20	DGCD	
Cc1noc(C[C@H]2CCCN(Cc3cc(C)c(C)cc3O)C2)n1	897579140	PETJEAWBQZXQIR-OAHLLOKOSA-N	315.417	3.155	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)cc1	785767088	JOKMJARBMNSTTI-QZTJIDSGSA-N	302.462	3.391	10	20	DGCD	
COc1ccc(CN(CCCO)Cc2c(C)cccc2O)cc1	898173016	FNAXBOUOLWLZGJ-UHFFFAOYSA-N	315.413	3.094	10	20	DGCD	
CCC[C@@H](CNCc1ccc(Br)cc1O)OCC	705394688	SWFMFKULSAZDDT-ZDUSSCGKSA-N	316.239	3.450	10	20	DGCD	
CC[C@@H](NC[C@H](CO)Cc1ccco1)c1ccc(F)cc1O	796795962	FSOPGZFDZZFOCR-MLGOLLRUSA-N	307.365	3.016	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc3ccccc3c2)c(O)c1	794384300	YWNNIZQVMZEYTQ-UHFFFAOYSA-N	307.349	3.484	10	20	DGCD	
O=C(O)CN(Cc1ccsc1)Cc1cc(Cl)ccc1O	1610781440	BELLTOMFBUYAGY-UHFFFAOYSA-N	311.790	3.194	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)c(F)c2)c(OC)c1	1610339108	OMMKDXALVAILPB-UHFFFAOYSA-N	319.332	3.178	10	20	DGCD	
CCN(C)c1ccc(CNC2(C(=O)O)CCCCCC2)cc1	1596197191	DDBNJFQFNPQMJI-UHFFFAOYSA-N	304.434	3.410	10	20	DGCD	
CC1(C)C[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCO1	160437519	FHAQSORNMXKDOF-NSHDSACASA-N	314.769	3.001	10	20	DGCD	
COc1cc(CN(C)Cc2cccc(N(C)C)c2)c(O)cc1C	160455254	PPYIAHFGQQSMDU-UHFFFAOYSA-N	314.429	3.407	10	20	DGCD	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCc2ccccc2O)C1	163470012	BDHGJMAOXXKTBW-HUUCEWRRSA-N	320.433	3.318	10	20	DGCD	
CS[C@H]1CCCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	153311508	YPJLEVCNDALMTG-INIZCTEOSA-N	321.490	3.180	10	20	DGCD	
CCC[C@@H](O)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	154804746	ZNQQWNMIYRITDX-MRXNPFEDSA-N	318.392	3.124	10	20	DGCD	
CCN(C)[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1	103190140	KSVHBDZCNFPCTK-GOSISDBHSA-N	312.413	3.044	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cccc(C)c2C)c1	114564428	UIVUZHSJXMJMAU-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
CCCN(CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccccc1O	303129820	BSGGWCYJNCWPKT-INIZCTEOSA-N	320.477	3.497	10	20	DGCD	
CC(C)Cc1nc(C(=O)N(C)Cc2ccccc2O)cs1	63810600	LJOTWBBOJJPJMV-UHFFFAOYSA-N	304.415	3.319	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(Cc2ccccc2)s1	302616197	FZARQTMLSWGFJB-UHFFFAOYSA-N	311.410	3.471	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C3=CCCCC3)CC2)cc1	127822495	YBSSRYRLGYAHSW-UHFFFAOYSA-N	314.429	3.281	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2c(F)cccc2F)cc1F	129314900	BIKONHJJJNQCJU-UHFFFAOYSA-N	322.330	3.029	10	20	DGCD	
COC(=O)CCC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	124920969	YHDMTIYGZDWKPJ-UHFFFAOYSA-N	322.424	3.057	10	20	DGCD	
CN(C)[C@@H](CNCc1ccc2c(c1)CCO2)c1cccs1	37362880	DTKQBYSSKJDKLL-HNNXBMFYSA-N	302.443	3.076	10	20	DGCD	
Cc1ccc2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)[nH]c2c1	186411246	RUXRQRDYMUYDEE-LBPRGKRZSA-N	324.380	3.249	10	20	DGCD	
C[C@H](NCc1ccccc1Cn1cccn1)c1ccccc1O	183393137	WUQODLYZUXHESC-HNNXBMFYSA-N	307.397	3.488	10	20	DGCD	
C[C@@H](NCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1O	185113420	GNFJHRQRSHPDTJ-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
O=[N+]([O-])c1cnc(Sc2ccc3c(c2)OCCCO3)s1	195506007	FJZMYTVMBBDLIY-UHFFFAOYSA-N	310.356	3.364	10	20	DGCD	
c1ccc(-n2cnnc2COc2ccc(N3CCCC3)cc2)cc1	277474716	BAERTUKLAPGFRL-UHFFFAOYSA-N	320.396	3.447	10	20	DGCD	
C[C@H](NCC1([S@@](C)=O)CC1)c1ccc2ccccc2c1O	282315466	NHNANVXMGUJPJN-LAJNKCICSA-N	303.427	3.107	10	20	DGCD	
COc1ccc(O)c(CN(CCN(C)C)Cc2cccs2)c1	289574052	ZXFSWGZEQZHONZ-UHFFFAOYSA-N	320.458	3.026	10	20	DGCD	
CCNC(=O)c1ccc(NCc2cc(F)ccc2O)c(C)c1	389564996	YRGHLBJIMWTJST-UHFFFAOYSA-N	302.349	3.202	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)c(OC)n1	290275066	WOGQLSPHPMLFPJ-ZDUSSCGKSA-N	316.401	3.272	10	20	DGCD	
CCOc1ccc(O)c(CN2CC(C)(C)[C@@H]2c2nccn2C)c1	294754902	IOUBHJDQFHQVBD-INIZCTEOSA-N	315.417	3.108	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CSC[C@@H]1C	807477247	MDIZMVSPNMKEFD-DZGCQCFKSA-N	322.474	3.455	10	20	DGCD	
Cc1ccc(O)c(CNc2nnc(C3CCOCC3)s2)c1	295954969	LTTRDHZVJSVKLI-UHFFFAOYSA-N	305.403	3.058	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@H]2CN(CC(C)C)CCO2)c(O)c1	815553442	AGFMEICIYFTGCC-SJORKVTESA-N	320.477	3.016	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(C)C1)c1ccc(C(F)(F)F)cc1O	810215631	ISIHBVNEWHNGDW-DGCLKSJQSA-N	302.340	3.156	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1	817938793	SLMGXSZXBPVSCA-SCLBCKFNSA-N	301.409	3.242	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1	817938791	SLMGXSZXBPVSCA-ACJLOTCBSA-N	301.409	3.242	10	20	DGCD	
C[C@@H](CCC(C)(C)C)N1C(=O)CN(Cc2ccccc2O)C1=O	819167397	CGGULWLQUDXCPR-ZDUSSCGKSA-N	318.417	3.371	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1occc1C	813647739	XYRFUOOEFXEYBD-UHFFFAOYSA-N	315.417	3.304	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)OCCC(C)C)c1	728981831	FLWWOTSJYGFYBE-QWHCGFSZSA-N	309.406	3.029	10	20	DGCD	
Cc1ncc2c(n1)CC[C@@H](NCc1cc(Cl)c(C)cc1O)C2	825096846	LCRDRQICAVLIKV-CQSZACIVSA-N	317.820	3.100	10	20	DGCD	
CC[C@@H]1CN(C(=O)/C=C(\C)c2cnccn2)c2ccccc2O1	826559231	IJFUMAPCYRDXRK-JWAFFJSPSA-N	309.369	3.084	10	20	DGCD	
COCCOCCN(C)Cc1ccc(N2CCCCC2)c(C)c1	829932153	ZTAIGMMPHKDQEW-UHFFFAOYSA-N	320.477	3.080	10	20	DGCD	
CCC(CC)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	822579601	GGBHWGIFDYGGNK-AWEZNQCLSA-N	319.449	3.009	10	20	DGCD	
CCC[C@H](CC)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	823776139	KVAHRPLWHOUILC-HOTGVXAUSA-N	318.461	3.464	10	20	DGCD	
Cc1cc(C(=O)CN2CC[C@@H](C)C2)c(C)n1-c1ccc(F)cn1	827634929	GPBJCDZRBZUPOG-GFCCVEGCSA-N	315.392	3.153	10	20	DGCD	
COc1cc(O)c(CNC[C@@H](OC)C2CCCCC2)cc1OC	827673873	HXXNELYPBUIOQB-GOSISDBHSA-N	323.433	3.094	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@](C(=O)O)(C(C)C)C2)cc1	901465697	XUFGLEUVCRGVHU-IBGZPJMESA-N	318.461	3.466	10	20	DGCD	
CC[C@H](N[C@H](c1nncn1C)C(C)C)c1ccc(C)cc1O	903063417	FCGWCXGCYAMJEH-HOCLYGCPSA-N	302.422	3.267	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](OCC)C1	838749917	PIIVCQQGDVHEQH-IYBDPMFKSA-N	320.433	3.271	10	20	DGCD	
CC(C)(C)Oc1cccc(CNC(=O)Nc2ccc(N)cc2)n1	841297829	IOGGKGFBGCOPKV-UHFFFAOYSA-N	314.389	3.163	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ccon3)c2C)c1	747434163	GBTAILKORXXOFU-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CCCCOC)cc1	746766371	TUNYHVPUQYFNLM-UHFFFAOYSA-N	306.450	3.308	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@H](C)C1CC1	840488105	JIOFOASOPVYSFG-LSDHHAIUSA-N	317.477	3.432	10	20	DGCD	
CN1C(=O)C2(CCCC2)N[C@@H]1c1ccc(N2CCCCC2)cc1	742439822	NZSGERQZKFAZAK-KRWDZBQOSA-N	313.445	3.050	10	20	DGCD	
Cc1cccc([C@@H]2CCN(C(=O)NCCc3ccc(N)cc3)C2)c1	841960390	ORPIAYGIDGCDPO-GOSISDBHSA-N	323.440	3.319	10	20	DGCD	
COc1ccc(N(CC(=O)NC2CCCC2)CC(C)C)cc1	746170821	IIIFADHOXLXIGD-UHFFFAOYSA-N	304.434	3.216	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC(NCC2CC2)CC1	843054475	NFLUUBPLPZCKIO-UHFFFAOYSA-N	312.816	3.149	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1	745819500	DXSIMCAQQYGRHD-GZBFAFLISA-N	318.417	3.169	10	20	DGCD	
C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	746981161	MNDRNMNYJAEOKQ-GJZGRUSLSA-N	315.461	3.257	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H]([C@@H]2CCCNC2)C1	843126111	GOBXQBFZQUKBRU-ZIAGYGMSSA-N	308.853	3.257	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc(CN2CCOC2=O)cc1	857761144	ZLZXPKCPXXBKEY-UHFFFAOYSA-N	312.369	3.265	10	20	DGCD	
O=C(OCc1cc(Cl)nc(Cl)c1)c1cccc(O)c1O	758583370	WSNNTEJBLHNUAR-UHFFFAOYSA-N	314.124	3.157	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)c(F)c1F	750016020	YMQPVGJBQRBRLV-UHFFFAOYSA-N	322.330	3.442	10	20	DGCD	
C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCS1	755275120	PCOSWHNGXLYYCO-ZIAGYGMSSA-N	321.490	3.351	10	20	DGCD	
C[C@@H]1C[C@@H](NCCCOC[C@@H]2CCCO2)c2c(O)ccc(F)c21	756357033	BIRAWZJSNNWHJM-VNHYZAJKSA-N	323.408	3.255	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2C)ccc1N	850779543	JUUVYDIHFOPKSL-UHFFFAOYSA-N	312.417	3.273	10	20	DGCD	
Cc1ccc([C@H](C)NCc2n[nH]cc2Br)c(O)c1C	756585054	JQBXAVKBVBCZBK-JTQLQIEISA-N	324.222	3.345	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cc(C3CC3)n(C)n2)c2c(O)ccc(F)c21	927109888	ZIYSBEZHDAKLLV-YGRLFVJLSA-N	315.392	3.480	10	20	DGCD	
COCCOCc1ccc(NCc2c(O)cccc2OC)cc1	858298207	OHUJRVVLQZKLEJ-UHFFFAOYSA-N	317.385	3.176	10	20	DGCD	
CC[C@H](C)CCNC(=O)NCCCSc1nccs1	853856208	UGRRBZDZLBNWEK-NSHDSACASA-N	301.481	3.361	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@H](O)Cc2ccccc2)c2c(O)ccc(F)c21	756547679	GFLUYATTWWXVJS-XNRPHZJLSA-N	315.388	3.273	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)ncn2C)c1cc([N+](=O)[O-])ccc1O	757614557	VCNVAZFRAQRPCI-SNVBAGLBSA-N	312.329	3.360	10	20	DGCD	
C[C@H](NC[C@@H](C)N1CCC[C@@H](C)C1)c1cc(F)cc(F)c1O	756410838	KJTKFRYOCQZGDT-UPJWGTAASA-N	312.404	3.441	10	20	DGCD	
COc1cc(CN2CCOC[C@H](C)C2)c(O)c(C(C)(C)C)c1	754748496	OBKAUNHFBGPHRO-CYBMUJFWSA-N	307.434	3.167	10	20	DGCD	
CO[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	752472616	OIIGUTGOTRYLKR-QGZVFWFLSA-N	312.413	3.263	10	20	DGCD	
O[C@H](CNc1ccc(Nc2ccccc2)cc1)CN1CCCC1	863558326	ZHZHXOMMUSLXCG-LJQANCHMSA-N	311.429	3.299	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H](n3ccnc3)C2)c1O	761193415	AWKSVLHHQQAECF-CQSZACIVSA-N	321.808	3.088	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1CCCc2sccc21	768308270	VBXOTRAREAWAMW-CYBMUJFWSA-N	302.399	3.331	10	20	DGCD	
Oc1cc2c(cc1CN1CCC(C3CCCC3)CC1)[C@H](O)CO2	768466692	UUQYZIKDJNUJIV-GOSISDBHSA-N	317.429	3.220	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)c1ccccc1O	868423345	ZHIMRDAQXKACAE-UMBPUVEWSA-N	322.408	3.338	10	20	DGCD	
COCCOCc1ccc(CNCc2c(C)cccc2O)cc1	877542755	WWZYDSMZARZXJV-UHFFFAOYSA-N	315.413	3.153	10	20	DGCD	
CN(CCN(C)C(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1	779597831	WRTODYQEDZSPPG-UHFFFAOYSA-N	321.465	3.051	10	20	DGCD	
C[C@H](NC(=O)NC[C@H]1CCCS1)c1ccc(N(C)C)cc1	773375804	MDMUKFQWLMEGGH-SWLSCSKDSA-N	307.463	3.008	10	20	DGCD	
COCCOC[C@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1O	774254828	RDVSQGHNURNERI-VHSXEESVSA-N	322.232	3.401	10	20	DGCD	
C[C@@H](CCc1ccc(O)cc1)NCc1cc(F)cc(F)c1O	882978757	AUOLLVNJZSRPPV-NSHDSACASA-N	307.340	3.487	10	20	DGCD	
Cc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c(O)c1O	780921388	ACNMSQTUNKWEAI-UHFFFAOYSA-N	315.354	3.110	10	20	DGCD	
OCCCC1CCN(Cc2cc(Cl)cc(F)c2O)CC1	783600346	YMKMBCQNBIFDDV-UHFFFAOYSA-N	301.789	3.169	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CCO)C2CC2)c(C(F)(F)F)c1	792991750	JALFSHDMAIJGNF-OAHLLOKOSA-N	316.367	3.022	10	20	DGCD	
CCOc1ccc(O)c(CN(CCOC)[C@@H]2CC[C@H](C)C2)c1	792193715	YXNQRLQVCUCZRG-GOEBONIOSA-N	307.434	3.428	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1cnc2ccccc2c1	798638581	UIMHUNLEWGQXAM-VURMDHGXSA-N	321.332	3.403	10	20	DGCD	
CC[C@H](Cc1ccccc1)C(=O)NCc1ccc(OC)cc1O	794379796	WIZDUVWPLNOBGY-OAHLLOKOSA-N	313.397	3.286	10	20	DGCD	
C[C@H]1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	792956773	MJYHESWQYOXRBS-DOTOQJQBSA-N	313.445	3.298	10	20	DGCD	
CCC[C@@H]1C[C@H]1C(=O)NCCCNCc1ccc(OC)c(C)c1	1166209386	NXHGXRZLVGHCFA-IAGOWNOFSA-N	318.461	3.036	10	20	DGCD	
CCC(=O)NCCCCCCNCc1ccc(OC)c(C)c1	1177686734	XEOBUMHGDCYQIS-UHFFFAOYSA-N	306.450	3.180	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CCC(F)CC1	1343024773	DEWCBMDZVBJLDD-UHFFFAOYSA-N	324.425	3.307	10	20	DGCD	
NCCc1ccc(CNCc2ccc(N3CCCC3)cc2)cc1	1348516534	UAGLXYILIQLALP-UHFFFAOYSA-N	309.457	3.078	10	20	DGCD	
COc1ccc(C)cc1CNCc1cc(C)cc(OC)c1O	1262109772	GGJDMWHMMYINLO-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
CC(=O)c1nn(C(C)C)c(C)c1OCc1cc(C(=O)O)oc1C	1603126647	PDHITSLJZMBIFM-UHFFFAOYSA-N	320.345	3.154	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1CC[C@@H](C(=O)O)c2ccccc21	1600604606	MPYZAGOVCDLPTJ-FYCOFBDGSA-N	322.364	3.008	10	20	DGCD	
O=C(O)[C@@H](CNCc1ccc(F)c(F)c1O)C1CCCCC1	1601652766	FRQDXMFYWKYXJV-LBPRGKRZSA-N	313.344	3.041	10	20	DGCD	
CC[C@@H](N[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O	227683652	JNFLENOORQVLII-TZMCWYRMSA-N	308.422	3.346	10	20	DGCD	
CC[C@@H](CNCc1cccc(C)c1O)NC(=O)OC(C)(C)C	227714092	VJJRMUFNYXHAAF-AWEZNQCLSA-N	308.422	3.094	10	20	DGCD	
C[C@H](OC(=O)Cc1ccc(N)cc1)c1ccccc1[N+](=O)[O-]	1579484596	CUMNMIQJFNPGFC-NSHDSACASA-N	300.314	3.024	10	20	DGCD	
COc1cccc(-c2noc([C@H](C)NCc3ccc(N)cc3)n2)c1	1579255363	SYPOXSCKCHCBGO-LBPRGKRZSA-N	324.384	3.178	10	20	DGCD	
COC(=O)c1cc(NC(=O)N(C)c2ccc(N)cc2)ccc1C	1578859571	XELUPPXBEZVHJH-UHFFFAOYSA-N	313.357	3.032	10	20	DGCD	
CCOC[C@@H](NCc1c(O)cccc1Br)C(C)C	706830482	YFVIQCOGOVAAAL-CYBMUJFWSA-N	316.239	3.305	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1csc(-c2ccco2)n1	53915903	ZPKPGFWLTPINHT-UHFFFAOYSA-N	314.366	3.381	10	20	DGCD	
COc1cccc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1O	54440498	OCWSPHLUUNEROB-HNNXBMFYSA-N	318.760	3.251	10	20	DGCD	
O=C(OCc1ccccc1)[C@H]1CCCN1Cc1ccccc1O	179556108	AZRGOTDYLCYPEO-QGZVFWFLSA-N	311.381	3.100	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)cn2)cc1F	175855533	OILSKHDHUGSIHA-UHFFFAOYSA-N	322.771	3.262	10	20	DGCD	
Fc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1F	66887600	OVKVVPGXNQUUCW-UHFFFAOYSA-N	318.367	3.091	10	20	DGCD	
CCc1nnc(NCc2c(O)ccc3c2CCCC3)nc1CC	302749800	UAYKCAAHLCAIAL-UHFFFAOYSA-N	312.417	3.193	10	20	DGCD	
Cc1ccc(OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	302054812	QDIVZFGTLCDCAL-UHFFFAOYSA-N	312.413	3.098	10	20	DGCD	
COc1cc(Cl)cc(CN(C)Cc2cnc(C)s2)c1O	184682429	UKBICYUQKVGPOP-UHFFFAOYSA-N	312.822	3.451	10	20	DGCD	
Oc1cccc(Cl)c1CNc1ccc(-n2ccnc2)nc1	127274782	OXOLAHXPPXXGCF-UHFFFAOYSA-N	300.749	3.238	10	20	DGCD	
CC(C)c1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cs1	183420912	UWGKAKUPSZVTQG-SNVBAGLBSA-N	320.414	3.039	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCC(=O)N(C)Cc2ccccc2)c1	185079159	WXQRXZMMBDIWTC-HNNXBMFYSA-N	312.413	3.010	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NO[C@H]2CCCCO2)cc1	72058878	LCGWCNZJAKHZAJ-KRWDZBQOSA-N	314.385	3.282	10	20	DGCD	
CCCN(Cc1cccc(OC)c1O)c1ccc(CN)cc1	194977613	VLLONLHZCQHNPL-UHFFFAOYSA-N	300.402	3.276	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@@H](c3ccccc3F)C2)cc1	92975015	DDDDEVUYBNDTLC-LJQANCHMSA-N	314.404	3.465	10	20	DGCD	
COc1ccccc1C(C)(C)C(=O)N(C)Cc1ccccc1O	269217058	TXYZVKLTZVURJH-UHFFFAOYSA-N	313.397	3.337	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1O	273750124	NJTUJRAGBHBAFT-LLVKDONJSA-N	321.808	3.157	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ccc(CNC(C)=O)cc2)c1	273440110	MTTWORLIOTYELR-LBPRGKRZSA-N	314.385	3.210	10	20	DGCD	
CC[C@H](NCCCC(=O)N(CC)CC)c1ccc(C)cc1O	280263828	XJMCGUUWLTUUHS-INIZCTEOSA-N	306.450	3.390	10	20	DGCD	
CC[C@@H](NCC1([S@@](C)=O)CCC1)c1cccc(Cl)c1O	287115064	QSJPOMXCEFOFID-ZUOKHONESA-N	315.866	3.388	10	20	DGCD	
Oc1ccc2c(c1)OCCN(Cc1c(O)cccc1Cl)C2	809704997	KQWSSBKNTXVYAS-UHFFFAOYSA-N	305.761	3.146	10	20	DGCD	
CC(C)(C)NC(=S)NCc1cc(Cl)cc(Cl)c1O	806599424	RSRCMPUDHPGYAF-UHFFFAOYSA-N	307.246	3.462	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3ccc4ccccc4c3O)CC[C@H]21	816521239	KLUPJGIADMOLFN-QFBILLFUSA-N	310.441	3.462	10	20	DGCD	
OC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)c2ccccc21	816637303	ZGKZIMIZTFUMRJ-JTQLQIEISA-N	307.752	3.281	10	20	DGCD	
Cn1ncc2ccc(CNCc3cc(Cl)ccc3O)cc21	812772087	QFKFNFDRJHECBU-UHFFFAOYSA-N	301.777	3.222	10	20	DGCD	
C[C@H]1CCN(CCN[C@H](C)c2cccc(C(F)(F)F)c2O)C1	815585987	WTXZRCBLMLRZMD-NWDGAFQWSA-N	316.367	3.403	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)/C=C(\C)c2cnccn2)cc1	825327098	RBUAWHIHEBIOCP-NTCAYCPXSA-N	324.428	3.043	10	20	DGCD	
Cc1cc(Cn2nccc2[N+](=O)[O-])ccc1N1CCCCC1	829072623	NSVKRVZJUWZVND-UHFFFAOYSA-N	300.362	3.138	10	20	DGCD	
CCCn1c(C)cc(C(=O)COC(=O)c2cc(O)cs2)c1C	731911517	KOYROAKKNFWMKQ-UHFFFAOYSA-N	321.398	3.322	10	20	DGCD	
Cc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OC(F)F	588393841	DEJUUPACHQRWOW-TWGQIWQCSA-N	315.366	3.427	10	20	DGCD	
CCOc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1	734406536	UKMYBVJHVIIAKF-UHFFFAOYSA-N	312.413	3.390	10	20	DGCD	
COc1ccc(N2CCN(Cc3ncc(C(C)C)o3)CC2)cc1	733305103	YMLAGZKUQWOYBY-UHFFFAOYSA-N	315.417	3.129	10	20	DGCD	
C[C@@H](CN(C)Cc1cccc(Cl)c1O)C(=O)OC(C)(C)C	839192538	KAMFJSMJOOAKNZ-NSHDSACASA-N	313.825	3.455	10	20	DGCD	
O=C(NCCc1ccc(OC(F)F)cc1)c1cc(O)cs1	731864546	WHMFCRYTWQDBHE-UHFFFAOYSA-N	313.325	3.028	10	20	DGCD	
Cc1cc(C(=O)OCCCCO)c(C)n1-c1ccc(F)cc1	733382965	RXMWBQVMSJSKBQ-UHFFFAOYSA-N	305.349	3.163	10	20	DGCD	
C[C@H]1[C@H](C)CCCN1C(=O)NCc1ccc2c(c1)CCCN2C	745788192	GUHOPGQVKRBEOJ-CABCVRRESA-N	315.461	3.399	10	20	DGCD	
COC(C)(C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	745890222	RGUXBHYSWGPSDO-UHFFFAOYSA-N	321.465	3.098	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@@H](N)C2)c(C(F)(F)F)c1	841057301	IYDSSUUDBAEDGS-CHWSQXEVSA-N	315.383	3.131	10	20	DGCD	
CCN(CC)c1ccc(CNC2C[C@@H]3CC[C@H](C2)N3)cc1F	841031169	URTQOTPIPXXWSL-XYPWUTKMSA-N	305.441	3.045	10	20	DGCD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCCc2ccc(N)cc2)o1	841718999	YEEYSFMLSPMLRS-WBMJQRKESA-N	313.401	3.027	10	20	DGCD	
CCc1cccc(CN[C@@H]2COc3cc(OC)ccc3C2)c1O	848900773	QBVTVZAKJXELOE-INIZCTEOSA-N	313.397	3.057	10	20	DGCD	
COc1cccc([C@H](C)NCc2cccc3c2OCCO3)c1O	846151718	FOIPNGPOULOYPE-LBPRGKRZSA-N	315.369	3.023	10	20	DGCD	
O=C(Cc1cc(F)ccc1F)NCc1cc(Cl)ccc1O	857547894	ZDTYWWXAYVGYST-UHFFFAOYSA-N	311.715	3.183	10	20	DGCD	
COc1cc(CNCCC[C@@H](C)CO)c(O)c(C(C)(C)C)c1	850226880	UHNJNHUMFGSGQM-CYBMUJFWSA-N	309.450	3.197	10	20	DGCD	
COc1cc(CN[C@@]2(C)CCO[C@H]2C)c(O)c(C(C)(C)C)c1	850244752	CJMWRWDEUMCQRW-SGTLLEGYSA-N	307.434	3.355	10	20	DGCD	
C[C@@H](N[C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O	756605837	VAHKIWAANGZFDE-BDJLRTHQSA-N	307.340	3.445	10	20	DGCD	
C[C@H]1C[C@H](NCCC(=O)OC(C)(C)C)c2c(O)ccc(F)c21	756606988	LPTYKOQGTVYNRC-JQWIXIFHSA-N	309.381	3.401	10	20	DGCD	
CCCN(CC(=O)OC)Cc1cc(OC)cc(C(C)(C)C)c1O	754727842	RAOMZVSEMBWCTP-UHFFFAOYSA-N	323.433	3.083	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCOC3(CCCC3)C2)c1O	766124002	ZNSVPSQVKFILKE-UHFFFAOYSA-N	323.820	3.393	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)N(C)CC3)c1	860883026	MFCQSBIFPJZZJT-UHFFFAOYSA-N	311.385	3.015	10	20	DGCD	
CCOc1ccc(CN(Cc2ccccc2)C[C@@H](C)O)c(O)c1	768892086	FZELGONQDGOAGT-OAHLLOKOSA-N	315.413	3.174	10	20	DGCD	
COc1ccc(C[C@@H](C)NCc2ccc(C)cc2O)cc1OC	877017800	IQPPBQBWBAELSU-CQSZACIVSA-N	315.413	3.439	10	20	DGCD	
Cc1ccc(C2=NO[C@@H](CNCc3ccc(C)cc3O)C2)cc1	1119450449	JAHCEUIPUQZYNC-QGZVFWFLSA-N	310.397	3.292	10	20	DGCD	
CCOCc1cc(CNC2(CO)CCCCC2)ccc1OC	776496585	BFNQNJSZOYKKHZ-UHFFFAOYSA-N	307.434	3.017	10	20	DGCD	
C[C@@H](C[C@@H](O)c1ccco1)NCc1cc(Cl)cc(F)c1O	776253329	MFVUBJUKLSMPKG-TVQRCGJNSA-N	313.756	3.380	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@@H](C)c2c(O)cccc2F)c1	886514636	VFEMGCNXPNHHGT-LBPRGKRZSA-N	316.376	3.132	10	20	DGCD	
CC[C@H](N[C@@H](CO)C[C@@H]1CCCO1)c1cccc(Cl)c1O	886670388	NWTLAAHDIXNGIK-XUJVJEKNSA-N	313.825	3.016	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1CCN(C)c2ccc(F)cc21	784050099	OAEKVWXDFASSPZ-ZZXKWVIFSA-N	311.360	3.025	10	20	DGCD	
CC[C@H](NCc1ncnn1-c1ccccc1)c1ccccc1O	786937939	DBCUQZKOEVCYOP-INIZCTEOSA-N	308.385	3.214	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(F)cc(F)c2O)cc1OC	893897974	SQOUSCSEPFASGX-UHFFFAOYSA-N	323.339	3.320	10	20	DGCD	
COCCc1ccnc(NCc2c(O)ccc(Cl)c2F)c1	795808140	LUQJHLDNBSACBM-UHFFFAOYSA-N	310.756	3.381	10	20	DGCD	
CCOC(C)(C)CNCc1cc(Br)cc(F)c1O	715746709	SQNNVGIUFZOMMK-UHFFFAOYSA-N	320.202	3.199	10	20	DGCD	
OC[C@H](CNCc1cc(Cl)cc(F)c1O)CC1CCCC1	798961389	YXIIJHSYACVMGT-LBPRGKRZSA-N	315.816	3.463	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1F	790069618	WUIWLVKMCLWAJI-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@]1(N(C)C)CCSC1	1320118879	SXJRVIJUUBIIFR-GLJUWKHASA-N	320.502	3.276	10	20	DGCD	
Cc1ccncc1[C@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1610537072	WTLFYBHOLYARPJ-RYUDHWBXSA-N	300.358	3.206	10	20	DGCD	
C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C(F)(F)F)C1	1579424316	VSCWUVACHZMNNI-MFKMUULPSA-N	300.324	3.001	10	20	DGCD	
CCN1CCCc2cc(CNCCCCCC(=O)O)ccc21	1776875624	YXUBSFGFNWESFI-UHFFFAOYSA-N	304.434	3.194	10	20	DGCD	
CCOc1ccc(O)c([C@H]2Nc3ccc(C)cc3C(=O)N2C)c1	153686320	FTOWDQLPNTZLKY-KRWDZBQOSA-N	312.369	3.296	10	20	DGCD	
C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1ccccc1O	109769920	VPLOLSZHPKPFPL-NSHDSACASA-N	320.339	3.129	10	20	DGCD	
COC(=O)[C@@]1(C)CCN(Cc2cc(C(C)C)c(C)cc2O)C1	177224943	BGRGNHNCPIMCMZ-SFHVURJKSA-N	305.418	3.209	10	20	DGCD	
C[C@@H]1c2ccc(F)cc2CCN1C(=O)NCc1ccc(N)cc1	1357790673	FWKBTSDSLIVFFG-GFCCVEGCSA-N	313.376	3.237	10	20	DGCD	
Cc1ccc(C(=O)NCC(C)(C)c2cccs2)c(O)c1O	179499495	VETYFNBMYOFBQB-UHFFFAOYSA-N	305.399	3.175	10	20	DGCD	
COCC[C@H](C)N[C@H](C)c1cc(Br)ccc1O	185290222	QMHOHFNYMGLVFZ-VHSXEESVSA-N	302.212	3.230	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC1Cc2ccccc2C1	184947180	RHKNCJWBUAKCQH-UHFFFAOYSA-N	324.424	3.481	10	20	DGCD	
C[C@@H](NCc1nccs1)c1ccc(Br)cc1O	185087943	BJZACLATCQAQCO-MRVPVSSYSA-N	313.220	3.462	10	20	DGCD	
CC(C)[C@@H]1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	317336488	FQALECBWGJGRKY-DIECRNLCSA-N	304.346	3.175	10	20	DGCD	
CCOCCN[C@H](CC)c1cc(Br)ccc1O	36229077	BOSAKSPCCWQRAM-GFCCVEGCSA-N	302.212	3.232	10	20	DGCD	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1ccc(N)cc1	319558423	FNNGZEIFNZJGQP-CQSZACIVSA-N	312.413	3.476	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCn2cc(Br)cn2)c1	285609395	JAXHVWATHKHQTA-NSHDSACASA-N	324.222	3.010	10	20	DGCD	
COc1ccc(F)cc1[C@@H](C)NCc1cccc(OC)c1O	237234963	WUFAEYUXGUDTKK-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
Oc1cc2c(cc1CN[C@H]1CCSc3ccccc31)OCO2	238140508	GUUVMUZUDIUGAI-ZDUSSCGKSA-N	315.394	3.448	10	20	DGCD	
COCCC1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCC1	273557712	HFOLZFONZNXHKB-LBPRGKRZSA-N	308.378	3.158	10	20	DGCD	
C[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1	271411568	AFWCSECCLURPDX-SCLBCKFNSA-N	302.393	3.276	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCc3nc(C)ncc3C2)cc1	363904112	PRFCOZZJARBUBL-SFHVURJKSA-N	324.472	3.278	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@H](O)CCc1ccccc1	273226120	WEMVXVJUSYPRMX-OAHLLOKOSA-N	305.805	3.129	10	20	DGCD	
CC(C)[C@H](CNCc1cc(Cl)cc(Cl)c1O)C(=O)O	277401780	RZEIVMZJOZCQHT-JTQLQIEISA-N	306.189	3.145	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](F)CC1CCCCC1	281333961	VPRIRXSYPRIGFZ-WFASDCNBSA-N	323.408	3.454	10	20	DGCD	
CN(CCSC(C)(C)C)Cc1ccc(N2CCOCC2)cc1	801911559	MKXVTOGNLMFEEW-UHFFFAOYSA-N	322.518	3.487	10	20	DGCD	
CCOc1cccc(CN[C@@H](CC)COCC(F)(F)F)c1O	295099209	KGEKUOSKSFGRDQ-LBPRGKRZSA-N	321.339	3.238	10	20	DGCD	
Cc1cc(CN(C)Cc2nccn2C(F)F)ccc1N(C)C	293389269	GSWJATFHWOBMNB-UHFFFAOYSA-N	308.376	3.285	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCOc2cccc(F)c2C1	800854746	AQTANBNHVJIYLL-UHFFFAOYSA-N	324.355	3.474	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]3C)ccc21	641243550	QTCAJFIVEPHCGU-LBPRGKRZSA-N	300.402	3.139	10	20	DGCD	
CNCCc1ccccc1C(=O)N1CCCc2c(C)cccc21	644048476	LUAWAMWFAOQBDC-UHFFFAOYSA-N	308.425	3.350	10	20	DGCD	
Cc1ccc(CC(=O)NCc2c(C)c3ccccc3n2C)cc1O	473273968	YWSMQHAKVIVIPY-UHFFFAOYSA-N	322.408	3.360	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1nc(C(C)(C)C)n[nH]1	814630336	UIQFOROQRFPHBH-UHFFFAOYSA-N	314.433	3.454	10	20	DGCD	
CCOC(=O)[C@H](C)N(Cc1cc(Cl)c(F)cc1O)C1CC1	816589208	OPLCLKJVICJVGR-VIFPVBQESA-N	315.772	3.101	10	20	DGCD	
C[C@@H](NC[C@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1O	815577975	DYSJEFQHBDEJPU-OTYXRUKQSA-N	303.324	3.223	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCC[C@H]2CCCF)cc1	817939542	CKPXRDZNOFFDJY-JQHSSLGASA-N	307.457	3.260	10	20	DGCD	
CC[C@@H](C)CONC(=O)NCc1cc(Cl)cc(Cl)c1O	813835711	PMESACPBQDEKAG-MRVPVSSYSA-N	321.204	3.476	10	20	DGCD	
Cn1ccnc1[C@H]1N(Cc2cc(Cl)ccc2O)CC1(C)C	824620362	LOEIWGKDWBPWTH-CQSZACIVSA-N	305.809	3.362	10	20	DGCD	
OCCOCc1ccc(NCc2cccc(Cl)c2O)cc1	822520709	MPYVQIBVXCCKIW-UHFFFAOYSA-N	307.777	3.167	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1cccc(F)c1)c1ccc(F)cc1O	903307757	FANQGEYSOALKET-GTNSWQLSSA-N	307.340	3.229	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1C)Cc1ccccc1O	822512143	WKERJHKOVFLRFQ-UHFFFAOYSA-N	313.397	3.266	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cc([N+](=O)[O-])ccc1OC	830395390	ZEOOOCIZXPINDV-UHFFFAOYSA-N	321.285	3.036	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1occc1C	839915857	LVDOKCOJBHDREE-CQSZACIVSA-N	300.402	3.323	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCn1cccc1	839919910	WWMUHRHGKGYUNZ-INIZCTEOSA-N	313.445	3.000	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)/C=C/C2CCCCC2)cc1	843296907	COPOXDPIYWTRIJ-RORWEDLISA-N	315.461	3.005	10	20	DGCD	
Cc1ccc([C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)o1	742952741	PVCKECLVHFDJHG-CYBMUJFWSA-N	314.385	3.183	10	20	DGCD	
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C12CCCC2	841299494	HQWKCDQXXMWVCH-HUUCEWRRSA-N	303.406	3.128	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2n[nH]cc2c1	746691448	ITCVTMSHHOHXHQ-UHFFFAOYSA-N	321.380	3.077	10	20	DGCD	
C[C@@H](CC(=O)O)NCc1ccc2c(c1)CCN2Cc1ccccc1	840995580	XINXXRDOWNKUNH-HNNXBMFYSA-N	324.424	3.202	10	20	DGCD	
CO[C@@H](CC(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	841027954	HLPSCGVTWPDABY-SFHVURJKSA-N	318.461	3.305	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c1	748972333	PUZVEYROGVOSFL-IUODEOHRSA-N	320.433	3.415	10	20	DGCD	
COc1ccc(CCN[C@@H](C)c2cccc(OC)c2O)cc1	846138518	TZHWCBOFNCBLLN-ZDUSSCGKSA-N	301.386	3.303	10	20	DGCD	
Cn1cncc1C(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1	843021362	PCDRSVWCLULVBD-UHFFFAOYSA-N	309.369	3.010	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@]2(C)CCc3ccccc32)cc1	843519994	PIWJOGVFBAHZSB-HXUWFJFHSA-N	308.425	3.273	10	20	DGCD	
CN(CCC(=O)O)Cc1ccc2c(c1)CCN2Cc1ccccc1	840997182	LECUQCFUABFCDE-UHFFFAOYSA-N	324.424	3.156	10	20	DGCD	
CC(C)[C@@H](C)NC(=O)CN(C)c1ccc(-c2nccs2)cc1	846991362	JPRTUZHYCDNXDY-CYBMUJFWSA-N	317.458	3.407	10	20	DGCD	
CC(C)c1nn(C)cc1NCc1cc(F)c(N(C)C)cc1F	858161151	DHFRBUQUUIKHEB-UHFFFAOYSA-N	308.376	3.500	10	20	DGCD	
COc1cc(CNCc2cc(C)ccc2O)c2c(c1)C[C@@H](C)O2	858238131	VVBGEYAOWFJILE-CYBMUJFWSA-N	313.397	3.322	10	20	DGCD	
C[C@@H](NC1CCN(C(=O)C2CC2)CC1)c1cc(Cl)ccc1O	756399013	LVLVFYLNTBWGMC-LLVKDONJSA-N	322.836	3.097	10	20	DGCD	
CO[C@@](C)(C(=O)NCc1cc(Cl)ccc1O)c1ccccc1	857547892	ZBPYCOAHVOFUCS-QGZVFWFLSA-N	319.788	3.224	10	20	DGCD	
C[C@H](NCCc1cn2c(n1)CCCC2)c1cc(F)cc(F)c1O	756401569	ITAYGSSMCHUELV-NSHDSACASA-N	321.371	3.097	10	20	DGCD	
C[C@@H](NCc1ccc(NC(N)=O)cc1)c1cc(F)cc(F)c1O	756393094	PXRWSTSOQVWJKC-SECBINFHSA-N	321.327	3.012	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](F)C1	861861139	FGGUFEFIMYNQPQ-HNNXBMFYSA-N	314.360	3.091	10	20	DGCD	
CN(CC(=O)N(C)[C@@H]1CCCc2ccccc21)c1ccc(N)cc1	863557239	KGHRLSQGVRMFCN-LJQANCHMSA-N	323.440	3.241	10	20	DGCD	
CC(C)CC[C@H](CO)NCc1ccc(Br)cc1O	862481142	TUDSORXROKPZJP-CYBMUJFWSA-N	316.239	3.041	10	20	DGCD	
CC[C@H](NC[C@H]1C[C@H](O)C1)c1ccc(C(F)(F)F)cc1O	872125952	ICLWJCONBGQJSC-GAFUQQFSSA-N	303.324	3.223	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc2nccnc2c1	876511229	BIBQFMSHTCNEFH-UHFFFAOYSA-N	306.413	3.328	10	20	DGCD	
CC(=O)N1CC[C@@H](NCc2c(C)cccc2O)c2ccccc21	877120656	LMNYGVYISFYTJF-QGZVFWFLSA-N	310.397	3.288	10	20	DGCD	
C/C=C\C[C@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	771611494	LVMVQOAZDBFRHG-VGOKWCNXSA-N	312.413	3.151	10	20	DGCD	
CCCn1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1	775645747	AQYDTHIARXFASJ-CYBMUJFWSA-N	315.421	3.242	10	20	DGCD	
C[C@@H](NC[C@@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1	772979832	XABGCZXBIISTJB-HIFRSBDPSA-N	306.425	3.359	10	20	DGCD	
CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(O)cs1	784814019	VTXLHJGSWCSUHD-QGZVFWFLSA-N	319.426	3.257	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOCc2ccccc2)c1	185633123	ODGKCSBTNPDGBC-AWEZNQCLSA-N	301.386	3.268	10	20	DGCD	
COc1ccc(CNc2cnn(C3CCCC3)c2)c(O)c1OC	896696809	NGNOWSPSIQRZHP-UHFFFAOYSA-N	317.389	3.333	10	20	DGCD	
CCC[C@@H](O)CNCc1ccc2c(c1)CCN2Cc1ccccc1	796303098	GGEDQOWQFUUQJY-HXUWFJFHSA-N	324.468	3.500	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCC=C(C)C)cc1F	790322959	ZUNMHPOWBAYNRX-UHFFFAOYSA-N	307.413	3.437	10	20	DGCD	
COc1ccc(CNc2ccc(Br)c(C)n2)c(O)c1	795284030	GPJRNZIPPMWVIR-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)C12CCC2	799733212	CHVRINIGLCUYKA-DLBZAZTESA-N	306.425	3.329	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@]2(C)CO)c(C(F)(F)F)c1	793157878	KKHWGFZJDCKADP-OAHLLOKOSA-N	316.367	3.118	10	20	DGCD	
CN1CCN(c2ccc(CN[C@]3(C)CC=CCC3)cc2F)CC1	1328219641	ILZABJCKORTLJO-LJQANCHMSA-N	317.452	3.166	10	20	DGCD	
CC[C@@]1(C)CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1337043040	XERMKPDEHHRKAR-IBGZPJMESA-N	319.468	3.200	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCC[C@@H](C(F)(F)F)C1	1352657284	BUJMCKFORFOVPU-GXSJLCMTSA-N	317.307	3.083	10	20	DGCD	
Cc1ccc(/C=C/C(=O)N2CC[C@H](C(=O)O)c3ccccc32)cn1	1600398341	OEDVSPGYQRPHOU-FDMDGMSGSA-N	322.364	3.008	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CCC[C@@H](O)C1	230670685	ZXSQYNSVLWIDLW-JOYOIKCWSA-N	304.217	3.340	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cc(C(=O)O)co1	1599628178	GMYMJTTVJVVQLL-UHFFFAOYSA-N	301.342	3.329	10	20	DGCD	
CN(C)c1ccc2c(c1)CN(CCC(C)(C)CC(=O)O)CCC2	1777041187	GQCFCOPNUMIIMY-UHFFFAOYSA-N	318.461	3.392	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C)C2)c1	103512969	MACLEXOCICBACQ-FRRDWIJNSA-N	306.406	3.340	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CCCCCC3)ccc21	57660752	HPQQCVIQGWPPLX-UHFFFAOYSA-N	301.434	3.155	10	20	DGCD	
C[C@H](NCc1cccc(Br)c1O)C1CCOCC1	134478102	XUUAHLHNQVNITD-JTQLQIEISA-N	314.223	3.059	10	20	DGCD	
O=C1CCCN1[C@H]1CCCN(Cc2c(O)ccc3ccccc23)C1	111171231	IIAXNYBOEXDOKY-INIZCTEOSA-N	324.424	3.132	10	20	DGCD	
CCOC(=O)CN(CCc1ccccc1)Cc1ccccc1O	179574570	OQPNNEZIEKQMMR-UHFFFAOYSA-N	313.397	3.000	10	20	DGCD	
COC(=O)N1CCC([C@H](C)N[C@H](C)c2cc(F)ccc2O)CC1	186763004	BEWXPRZKBXPIBL-NWDGAFQWSA-N	324.396	3.049	10	20	DGCD	
Cc1cc(Cl)cc(C(=O)NCCc2ccc(O)c(O)c2)c1	122791758	VVVFUTLJFWUIBC-UHFFFAOYSA-N	305.761	3.032	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1O	316072257	HPTQYJHBTKGKFX-VIFPVBQESA-N	302.305	3.035	10	20	DGCD	
C/C(=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	183433524	WMXRPGZIVVLCJG-JWAFFJSPSA-N	311.381	3.249	10	20	DGCD	
CCNC(=O)c1cccc(N[C@@H](C)c2ccc(F)cc2O)c1	316279430	SEWJMVQGOFFPJT-NSHDSACASA-N	302.349	3.454	10	20	DGCD	
CC(C)(C)OC(=O)N1CCC(CNCc2ccccc2O)CC1	227443553	CFQKTWXSLZIGJB-UHFFFAOYSA-N	320.433	3.129	10	20	DGCD	
CNC(=O)[C@@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)C1	93360736	QZNOKCZCGOQHLR-QGZVFWFLSA-N	324.424	3.017	10	20	DGCD	
CSC1(CN[C@H](C)c2ccc(N(C)C)cc2)CCOCC1	90113061	MTOBEUQAUIYTDV-CQSZACIVSA-N	308.491	3.315	10	20	DGCD	
Cc1c(CNC(=O)N[C@H]2CSC[C@H]2C)n(C)c2ccccc12	346315770	IPXGXFGNMOYXTD-RISCZKNCSA-N	317.458	3.037	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNC[C@]1(O)CCSC1	267061861	PHLNRCIWRATYGC-GOSISDBHSA-N	315.438	3.017	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1c(C)noc1C	265457509	DPIXAIFDJBYDNW-UHFFFAOYSA-N	303.362	3.441	10	20	DGCD	
COC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1	273610905	VTVFBHRIDKKGAY-BXUZGUMPSA-N	320.345	3.240	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCc3nc(O)ccc32)c1	273621468	ZDWWRKJKRFTZKZ-XHDPSFHLSA-N	314.385	3.230	10	20	DGCD	
C[C@H](NC1CCN(C2CCC2)CC1)c1ccc(F)c(F)c1O	276854496	BKAFASQAGRGBFN-NSHDSACASA-N	310.388	3.338	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@](C)(O)C1CC1	270024671	JZNRJYVQYPDKMY-IBGZPJMESA-N	318.461	3.041	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C2CC2)[C@H](C)C2CC2)c1O	278284126	UAQZPNJTXPADLX-SNVBAGLBSA-N	306.362	3.072	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cn2ccccc2n1	282565637	UQOMUCQCQXUQAS-UHFFFAOYSA-N	323.396	3.482	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCC(c2ccsc2)CC1	295693184	INGJXUMUZNROOC-UHFFFAOYSA-N	321.373	3.318	10	20	DGCD	
CCN(CC)c1ccc(CNCc2c[nH]c3nccnc23)cc1	290807764	FWTIJFGQYZAORU-UHFFFAOYSA-N	309.417	3.094	10	20	DGCD	
C[C@H](NC(=O)CCc1cncs1)c1ccc(N(C)C)cc1	814415577	WGDBDHSVIQIVGW-LBPRGKRZSA-N	303.431	3.019	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)c1nccn1C	819518903	KFOQEKMPIYUACJ-UHFFFAOYSA-N	314.414	3.166	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCCc3sccc32)cc1	817938751	RHCNELAYAHIGIU-SJORKVTESA-N	315.486	3.481	10	20	DGCD	
CC(C)[C@H](O)CNCc1ccc(N(C)Cc2cccs2)cc1	823866944	VDIFJDVJCOQGKI-GOSISDBHSA-N	318.486	3.491	10	20	DGCD	
CC(C)c1nnc(NCc2ccc(N3CCSCC3)cc2)o1	827411557	ZBBQDUYPFNAOTD-UHFFFAOYSA-N	318.446	3.358	10	20	DGCD	
Cc1cc(O)c(CNC[C@@](C)(O)c2cccs2)cc1Cl	825291760	PLGVHWJDSWLVHZ-OAHLLOKOSA-N	311.834	3.413	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCC1(C(=O)O)CCCCC1	901782713	FAZVMHHKZWHXNB-UHFFFAOYSA-N	304.434	3.186	10	20	DGCD	
CCN(C(=O)c1cccc2c1CCNC2)c1cccc(OC)c1	662498694	KOXXBCXOVQKEAB-UHFFFAOYSA-N	310.397	3.008	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@](C)(O)c2cccc(F)c2)c1	903310302	PUYJFKNWZWRGDM-KZULUSFZSA-N	319.376	3.098	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1COc3cc(F)cc(F)c31)CC2	834765529	NGBQWEKNWCNXGI-CHWSQXEVSA-N	303.308	3.381	10	20	DGCD	
C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1cc(Cl)c(Cl)cc1O	834908566	KLBNURUBPAKJNN-XLKFXECMSA-N	317.216	3.018	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc2ccccc2[nH]1	734405019	PMXKWOUQTOLBLL-UHFFFAOYSA-N	307.397	3.472	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cccc(C)c1[N+](=O)[O-]	833681047	SJBPSZQVEHSRQV-UHFFFAOYSA-N	305.286	3.336	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)COC2CCCC2)C2CC2)cc1	916046567	SGHWSEFGGSOFRZ-UHFFFAOYSA-N	316.445	3.203	10	20	DGCD	
C[C@H](N[C@@H](CO)CC1CCCCC1)c1cc([N+](=O)[O-])ccc1O	841759915	BBPDRZFGIWEPEF-GXTWGEPZSA-N	322.405	3.282	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCC[C@@H]1CCCN1	841073720	WOTSCJHVYNRRIU-GFCCVEGCSA-N	303.233	3.321	10	20	DGCD	
CCN(CC)c1ccc(CNC(=N)N2CCC[C@@H](C)C2)cc1	849072484	OFNSAXQIOFHATL-OAHLLOKOSA-N	302.466	3.289	10	20	DGCD	
CCCN1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1	915816646	MWALLTPWHMKRTG-UHFFFAOYSA-N	320.477	3.226	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@H]3CNC[C@@H]3C2)cc1	843343146	UEPKZARFZHGCBJ-OKZBNKHCSA-N	301.478	3.011	10	20	DGCD	
CCN1C(=O)N(c2cc(Cl)c(N)c(Cl)c2)C(=O)C1(C)C	927216516	NFUDACMLMSYITH-UHFFFAOYSA-N	316.188	3.143	10	20	DGCD	
COC1CCC(CCNC(=O)N(C)Cc2ccccc2O)CC1	758719467	YOVYUPQTZZHOHT-UHFFFAOYSA-N	320.433	3.129	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](C)c2cnn(C(C)C)c2)c1O	754803135	QGEIMHJAFSINKT-LLVKDONJSA-N	319.380	3.362	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)s1	850404876	FSTJHAQPARHSFJ-UHFFFAOYSA-N	316.470	3.307	10	20	DGCD	
CN=[S@](C)(=O)c1cccc(NCc2cc(C)ccc2O)c1	864014892	ZCZHZHRSSHJUGX-OAQYLSRUSA-N	304.415	3.399	10	20	DGCD	
CCc1nn(C)c(Cl)c1CN(C)c1ccc(OC)c(OC)c1	761222948	VCOIDFXMNSQWEZ-UHFFFAOYSA-N	323.824	3.290	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)cc1F	769497883	GYWATQUGACKCLK-MRXNPFEDSA-N	322.424	3.198	10	20	DGCD	
C[C@@H](NCCC(=O)N1CCc2ccccc21)c1ccccc1O	879648795	DXMOHOLRPKORSM-CQSZACIVSA-N	310.397	3.022	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1nccs1)c1ccc(N(C)C)cc1	1123737356	AYDWFVLRJAZCRK-BCPZQOPPSA-N	301.415	3.100	10	20	DGCD	
Cc1ccn(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	784356363	NMONOSKCMBOUKT-UHFFFAOYSA-N	313.445	3.450	10	20	DGCD	
COc1ccc(NCc2c(O)cccc2Cl)cc1NC(N)=O	785565567	ZDBDCGNLSKDZND-UHFFFAOYSA-N	321.764	3.157	10	20	DGCD	
CCOCc1nc(C)cc(NCc2ccc(N3CC=CC3)cc2)n1	892644133	BGHBZNOSXLQGSB-UHFFFAOYSA-N	324.428	3.310	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)CCc2cccn2C)c1O	894266171	QWCSQMUJTFMICU-CQSZACIVSA-N	302.418	3.159	10	20	DGCD	
C[C@H](N[C@@H]1CSC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1	797063256	AWIFBLGOGRXKME-DVOMOZLQSA-N	324.465	3.064	10	20	DGCD	
COc1ccc(CN[C@@H](C)Cc2ccccc2F)c(O)c1OC	892659742	VNILFPSKBIHJTP-LBPRGKRZSA-N	319.376	3.269	10	20	DGCD	
CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1	793241374	NIKSZCCKMRFGAX-QAPCUYQASA-N	318.461	3.354	10	20	DGCD	
COC(=O)c1cnc(Sc2nc(C(C)(C)C)ns2)s1	1325191006	BXHGKKQBBOTRKI-UHFFFAOYSA-N	315.445	3.230	10	20	DGCD	
O=C(O)CC1(NCc2ccc(N3CCCC3)cc2)CCCC1	1601936566	BAQMCZUGQRBBID-UHFFFAOYSA-N	302.418	3.164	10	20	DGCD	
COc1cc(CN(C)CCn2cccn2)c(O)c(C(C)(C)C)c1	164319568	IZOCODTZGMZSFU-UHFFFAOYSA-N	317.433	3.027	10	20	DGCD	
C[C@H]1SCC[C@H]1NCc1cccc(Br)c1O	309783731	NNFCAUUVYBYZOY-LDYMZIIASA-N	302.237	3.138	10	20	DGCD	
COCCC1(CNCc2c(O)cccc2Br)CC1	706868983	YJLGGSCSUBUVBV-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)ccc1F	60780902	QLGHUDNQXLYCML-UHFFFAOYSA-N	304.340	3.303	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc3c(c2)NC(=O)CS3)c1	71407664	OFRYFOWPBCVQQL-UHFFFAOYSA-N	300.383	3.357	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC2(O)CCCCC2)cc1	72985171	HFCZWIHZALLGID-UHFFFAOYSA-N	318.461	3.234	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	90891319	UWYOEDWRGMCKHJ-LIRRHRJNSA-N	316.420	3.450	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCc1cscn1	108942048	TVOJARAUMAEQQW-UHFFFAOYSA-N	303.214	3.488	10	20	DGCD	
Cc1ccc(O)c(CNCc2cn3cc(Cl)ccc3n2)c1	113319605	RUYMKXBBZRSKMN-UHFFFAOYSA-N	301.777	3.292	10	20	DGCD	
Cc1ccc2c(CN(C)c3ccc4c(c3)OCO4)cc(=O)oc2c1	121430354	BAENLFPIFDDSDZ-UHFFFAOYSA-N	323.348	3.467	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cccc(C)c2Cl)c1	123510237	MCHJGMHAICVTSW-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1CCOCC1	151356113	YMAHCHQTYIMWDD-CQSZACIVSA-N	320.433	3.129	10	20	DGCD	
Cc1[nH]c2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2c1C	156725074	ZGXCYSFUGIYYDH-UHFFFAOYSA-N	324.380	3.168	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1F	174536625	SBZWRSJTBCZDBE-JQFCIGGWSA-N	306.425	3.185	10	20	DGCD	
COc1ccc([C@H]2CCN(Cc3cc(OC)ccc3O)C2)cc1	179955234	SRTVJXBDSUZIAD-HNNXBMFYSA-N	313.397	3.399	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCc2ccccc21	180628737	ZASIVRACVUGVIF-PXUDHTSWSA-N	323.392	3.347	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2cc(F)ccc21	180672701	UVRVCXDXQXBSOZ-XBXARRHUSA-N	313.328	3.230	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1	186456392	UQKUQMBIUXFFSH-LIRRHRJNSA-N	314.429	3.182	10	20	DGCD	
COC(=O)c1ccc(NCc2cc(C)c(C)cc2O)c(OC)c1	188705942	WHOBLFLTDWFSJS-UHFFFAOYSA-N	315.369	3.416	10	20	DGCD	
Cc1cccc(CNCC(C)(C)NC(=O)OC(C)(C)C)c1O	224893536	OLWKFSXROIFNKF-UHFFFAOYSA-N	308.422	3.094	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2[C@@H](C)CCC[C@H]2C)c1	246144860	GRVKHYUCQPRCJL-ATCWAGBWSA-N	306.406	3.025	10	20	DGCD	
COc1cccc(CNCCSCc2ccccc2)c1O	263726975	XILROMBJMJEASH-UHFFFAOYSA-N	303.427	3.424	10	20	DGCD	
Cc1ncccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	264575720	VPTGUHPHPOVOEA-UHFFFAOYSA-N	309.413	3.261	10	20	DGCD	
Oc1ccccc1CNCCCOCCOCc1ccccc1	272560021	NFKIXPRQMSMZSE-UHFFFAOYSA-N	315.413	3.105	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCCO1	283761190	MXGMHYLUKYZOSP-INIZCTEOSA-N	320.433	3.273	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(CO)(c3ccccc3)CC2)c1	293998966	SQEHUNNJXHWFCT-UHFFFAOYSA-N	311.425	3.227	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2	298575533	RVNMDLOTNURJKD-CQSZACIVSA-N	323.440	3.488	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ccc(C(F)(F)F)nn2)c1	301994079	NWGJUAFVOUAGMU-MRVPVSSYSA-N	313.279	3.383	10	20	DGCD	
Cc1c(CNCc2c(Cl)cnn2C)n(C)c2ccccc12	355127190	SRNWPBKGCPTPKZ-UHFFFAOYSA-N	302.809	3.163	10	20	DGCD	
Cc1ccc(C(=O)N2CC3(CCC3)c3ccccc32)c(O)c1O	364473164	QMOHCJWPYXFKHP-UHFFFAOYSA-N	309.365	3.488	10	20	DGCD	
CN(C[C@@H]1CC=CCC1)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	402747187	ULJZJWSUQUKIOK-QQBNSCQMSA-N	316.357	3.485	10	20	DGCD	
Cc1ccc([C@H](C)C(=O)NCc2ccc(N(C)C)cc2C)o1	742685144	YCYLWSMARUVDIT-AWEZNQCLSA-N	300.402	3.382	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2ccc(Cl)o2)cc1	753592416	XVSKSMFGIHNGSP-UHFFFAOYSA-N	309.749	3.121	10	20	DGCD	
CC(C)C[C@@H](CN[C@H](C)c1cc(F)cc(F)c1O)N(C)C	756400005	SMDNPDMJRKSLTI-YPMHNXCESA-N	300.393	3.297	10	20	DGCD	
CCOc1ccc(CN(C)CCN(C)c2ccccc2)c(O)c1	769381665	QZCBUKQESCUDFN-UHFFFAOYSA-N	314.429	3.359	10	20	DGCD	
C[C@H](NC(=O)NCC[C@H]1CCCCO1)c1ccc(N(C)C)cc1	773436843	SEJVIXBLCSAJKX-WMLDXEAASA-N	319.449	3.072	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@H](C)[C@H]2C)c1O	774942244	JQIYAZAPKKPDJC-DMDPSCGWSA-N	308.378	3.223	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(CC2CCC2)C(C)C)c1O	775178540	UZUZRUBHROQMHO-UHFFFAOYSA-N	308.378	3.320	10	20	DGCD	
C[C@H](CN1CCCCC1)NCc1cc(Cl)cc(F)c1O	775972266	MUOFZLBWIBHAEK-LLVKDONJSA-N	300.805	3.149	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC12CCCCC2	779544006	ZMKVCIHRHJLREJ-VURMDHGXSA-N	301.386	3.436	10	20	DGCD	
Cc1ccc(CN(C(=O)c2ccc(C)c(O)c2O)C2CC2)o1	780896667	QKEBEAZWEOSIHM-UHFFFAOYSA-N	301.342	3.112	10	20	DGCD	
CC(C)COC(=O)[C@H](C)NCc1ccc(N2CCCCC2)cc1	789577112	OCSOPPGRFXIIIS-INIZCTEOSA-N	318.461	3.354	10	20	DGCD	
COCCN(Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CC[C@@H](C)C1	792465207	LXSICOGRLVIKLE-WBMJQRKESA-N	323.408	3.371	10	20	DGCD	
COc1ccc(CNC(=O)C[C@H]2CCc3ccccc32)c(O)c1	794388077	OPILVANWKJFWEQ-CQSZACIVSA-N	311.381	3.137	10	20	DGCD	
COc1ccc(CN=c2cc(C)[nH]c3ccc(F)cc23)c(O)c1	795292576	WBZALFSZKVFORN-UHFFFAOYSA-N	312.344	3.431	10	20	DGCD	
CC[C@H](N[C@H](CO)c1cccc(F)c1)c1ccc(F)cc1O	796819443	XNGJNFIXYZURFW-JKSUJKDBSA-N	307.340	3.445	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[C@@H]2C)c1	798510119	KNBMVUFJFWQBLM-AVGNSLFASA-N	306.406	3.197	10	20	DGCD	
O=[N+]([O-])c1cnc(Sc2nnc(-c3ccc(F)cc3)o2)s1	799925715	RNZJFGHMEWIBSJ-UHFFFAOYSA-N	324.318	3.392	10	20	DGCD	
CN(C)c1ccc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1	804330398	URLIZGPSCJRGNB-UHFFFAOYSA-N	316.317	3.181	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCSC1	805160158	VTMOWWCDISVLDA-VIFPVBQESA-N	321.229	3.004	10	20	DGCD	
CC(=O)N1CCC(CN[C@@H](C)c2cc(Cl)cc(C)c2O)CC1	808693233	WGPYOSGLSBZTRA-LBPRGKRZSA-N	324.852	3.263	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC(C)(C)[C@@H]2C(C)C)c1O	816624848	JMHQAFLPIJJEBH-HNNXBMFYSA-N	308.378	3.175	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2CC[C@@H]1CCOC1=O	817299133	VNKPZOOUJICHIT-ZBFHGGJFSA-N	317.429	3.283	10	20	DGCD	
CC[C@H](NC[C@@H](N)C1CC1)c1cc(Cl)cc(Cl)c1O	817964575	CPUDPJMRFJKJSI-OLZOCXBDSA-N	303.233	3.477	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@H]2CC[C@H](CN)CC2)c2c(O)ccc(F)c21	817974814	FRZJFALGFNGZEX-RGCMKSIDSA-N	306.425	3.434	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3ncc(C)c(C)n3)C2)cc1	819935204	LGRXZWPVOANZPB-HNNXBMFYSA-N	312.417	3.040	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cnccc1C	824240100	DTVMNXYVUNSMIU-UHFFFAOYSA-N	311.429	3.047	10	20	DGCD	
C[C@H](Cc1ccncc1)NCc1ccc(Br)cc1O	825325739	HXBQFBQZWPHUEG-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)/C=C(\C)c1cnccn1	827081832	VTVNUMQZQFBPJV-SDNWHVSQSA-N	311.385	3.024	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCOC(C2CC2)(C2CC2)C1	827537795	HQRJDQIUIIQIRG-UHFFFAOYSA-N	307.821	3.437	10	20	DGCD	
Cc1cc(CN[C@H](CCO)c2ccccc2F)ccc1N(C)C	830356059	URFRAZJZFCKKQW-GOSISDBHSA-N	316.420	3.413	10	20	DGCD	
CO[C@@H](CNCc1cc(Br)ccc1O)CC(C)C	841888050	CVXFLGZSJRCZDK-CYBMUJFWSA-N	316.239	3.305	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC3(CCCC3)CC2)cc1	841954800	PWEXGSFFNBBPRU-UHFFFAOYSA-N	301.434	3.177	10	20	DGCD	
COc1cc(F)cc(CN[C@H](C)c2cccc(OC)c2O)c1	846158506	HUCNYQCJFGPKDZ-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2ccc(C3CC3)cc2)cc1	852792248	TWCZUEDXCHSHKF-LJQANCHMSA-N	323.440	3.060	10	20	DGCD	
CCc1ccc(F)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	867302492	PVBPIADUAJSSLJ-LLVKDONJSA-N	317.360	3.160	10	20	DGCD	
C[C@H](NC(=O)c1nc[nH]c1C(C)(C)C)c1ccc(N(C)C)cc1	867504689	YJYXZRMRMRTPKN-LBPRGKRZSA-N	314.433	3.264	10	20	DGCD	
CCCOc1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1C	873131263	QSIPGTGXSLEOBS-IRXDYDNUSA-N	316.445	3.027	10	20	DGCD	
Cc1cc(CN2CCC([C@H]3CCCN3)CC2)ccc1N(C)C	923364796	OQVSYNQNZCPFHP-GOSISDBHSA-N	301.478	3.025	10	20	DGCD	
COCCc1ccnc(NCc2ccc(N3CCCC3)cc2)c1	1321879212	BKGSHYFKMGXUJQ-UHFFFAOYSA-N	311.429	3.483	10	20	DGCD	
NCc1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1	1340056744	PRMAGZRFNWNCGD-UHFFFAOYSA-N	309.413	3.388	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCC(F)(F)C2)n1C	1520075885	PVPPFRMNLRJLHX-LLVKDONJSA-N	322.359	3.060	10	20	DGCD	
Cc1cc(CN[C@H](C(=O)O)C(C)C)ccc1N1CCCCC1	1594303729	DILQTOLURSYARM-KRWDZBQOSA-N	304.434	3.184	10	20	DGCD	
COc1ccc(N2CCN(Cc3cccs3)CC2)cc1F	91923174	UTVFGSLDJOJFIL-UHFFFAOYSA-N	306.406	3.218	10	20	DGCD	
COc1ccc(CN(C)Cc2ccccc2O)c(OC)c1OC	91956646	TZRLMDDARNARRM-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
Cn1cnc2cc(C(=O)Nc3cccc(N4CCCC4)c3)ccc21	96733538	NZAFGQSQSWLADM-UHFFFAOYSA-N	320.396	3.426	10	20	DGCD	
CN(CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccccc1O	111235289	VNJBQOYCMVUHFC-FQEVSTJZSA-N	324.424	3.092	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCc2ccc(Cl)cc2)c1	114542135	PAVGKGSZQOHMRI-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
COc1cccc(CNc2cccc(-c3n[nH]c(C)n3)c2)c1O	119813962	TYVWRZMHCDSTGV-UHFFFAOYSA-N	310.357	3.106	10	20	DGCD	
Cc1ccc(C)c(NC(=O)CN(C)c2ccc3c(c2)OCO3)c1	121277102	LQIIZBLDGUJQFH-UHFFFAOYSA-N	312.369	3.107	10	20	DGCD	
CCONC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	162554841	MIMOUKQGDCPWNH-UHFFFAOYSA-N	305.422	3.206	10	20	DGCD	
Cc1ccc(C(=O)NC(C)(C)c2nc(C)c(C)s2)c(O)c1O	179509165	UJSIRPQSRMQVID-UHFFFAOYSA-N	320.414	3.145	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCCN2CCCCCC2=O)c1	184867429	SSULEAFOWSBZFU-HNNXBMFYSA-N	304.434	3.144	10	20	DGCD	
COc1cccc([C@H](O)CN[C@H](C)c2cc(Cl)ccc2O)c1	185418830	SZHWZGJDWGEYGA-PIGZYNQJSA-N	321.804	3.438	10	20	DGCD	
COc1ccc(O)c(CN2CCSC[C@@H]2c2nccs2)c1	186639611	AREZOJDVTZKRLU-CYBMUJFWSA-N	322.455	3.147	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1ccccc1)c1ccc(F)c(F)c1O	187720091	YMWMBMGAXJWPAZ-DIFFPNOSSA-N	307.340	3.229	10	20	DGCD	
O=C(/C=C/c1cccnc1)N(Cc1ccco1)c1ccccn1	192467720	RGSYVZILQKUZEB-CMDGGOBGSA-N	305.337	3.316	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(C)CC2)cc1	195565029	PSRYXGLUWAIYKB-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
O[C@H](CNCc1ccc(N2CCCC2)cc1)c1ccsc1	219105823	RGTJEPVZZNSQDR-QGZVFWFLSA-N	302.443	3.172	10	20	DGCD	
CCN(CCn1nc(C)cc1C)c1ccc(OC)c(OC)c1	264559117	NSWDGWDBWCBMSP-UHFFFAOYSA-N	303.406	3.044	10	20	DGCD	
Clc1cnccc1NCc1ccc(N2CCOCC2)cc1	267284519	PRWDZQHBHJDKMO-UHFFFAOYSA-N	303.793	3.184	10	20	DGCD	
CCOc1cccc(CN(C)C2CCN(C(C)C)CC2)c1O	271028153	FMCRLOQKBWSTAM-UHFFFAOYSA-N	306.450	3.096	10	20	DGCD	
C[C@@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1	271867856	JTNBEILAZRAWCC-GDBMZVCRSA-N	316.445	3.059	10	20	DGCD	
CCN(CC)CCC[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273421124	SCXYNUAQPPJMIV-KBPBESRZSA-N	323.437	3.462	10	20	DGCD	
C[C@@H](NCC1(CO)CC2(CCC2)C1)c1ccc(F)c(F)c1O	278819968	ODKPFYIQYPPNGB-LLVKDONJSA-N	311.372	3.264	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc2c1OCC2(C)C	279574878	WDZBXWNZJHTUPW-UHFFFAOYSA-N	311.381	3.334	10	20	DGCD	
CC[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(F)cc1O	287486631	NBKBDMARTBAQAM-CYBMUJFWSA-N	306.385	3.119	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCc2cn3c(n2)SCC3)c(O)c1	294063821	HJFSPUIZASGMRZ-ZDUSSCGKSA-N	317.458	3.205	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC(C)(C)C1	542865957	IRITZZLKUOSAJD-CYBMUJFWSA-N	302.418	3.304	10	20	DGCD	
COC[C@@H]1CCCN(Cc2ccc(Br)cc2O)C1	691681976	ZVDYURLQWSLYEZ-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCSCC(F)(F)F)c1	698957532	OLKCGDWSJPEWOY-SECBINFHSA-N	309.353	3.347	10	20	DGCD	
CCC[C@H](C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726609658	AHXSMSREZCGFSG-AWEZNQCLSA-N	319.449	3.152	10	20	DGCD	
CCCCNC(=S)NCc1ccc(N(CC)CC)c(F)c1	731320476	VPDAUMMHHFLKAD-UHFFFAOYSA-N	311.470	3.436	10	20	DGCD	
CCOc1cc2c(cc1NC(=O)c1cc(O)cs1)O[C@H](C)C2	732266530	FSNMFKFVMMZSOK-SECBINFHSA-N	319.382	3.428	10	20	DGCD	
O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cc(O)cs1	732282526	PVGKELFEIGTALO-DZGCQCFKSA-N	303.383	3.104	10	20	DGCD	
CCCCOC(=O)[C@@H](C)N(CC)c1ccc(OC)c(OC)c1	741783735	OBKOQLAGERGFAW-CYBMUJFWSA-N	309.406	3.262	10	20	DGCD	
Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccccc1O	748345638	GJQQZFMCZJTHLW-UHFFFAOYSA-N	322.364	3.215	10	20	DGCD	
COc1ccc(N(C)CCOc2ccccc2F)c(OC)c1	752112753	KJEZZVCLQMIZQY-UHFFFAOYSA-N	305.349	3.358	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2(O)CCCCC2)cc1	754975324	CORFISVPRXQRSM-UHFFFAOYSA-N	318.461	3.186	10	20	DGCD	
COC[C@H](Cc1ccccc1)N[C@H](C)c1cc(F)ccc1O	756638639	VKEOMNGQKBFDFL-CJNGLKHVSA-N	303.377	3.440	10	20	DGCD	
CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(F)(F)F	769080276	AEKSQKCPFYJEKF-JMCQJSRRSA-N	305.296	3.113	10	20	DGCD	
O=C(/C=C\c1nc2ccccc2s1)NCc1ccccc1O	769361833	AYGUQKGCKUUKMK-KTKRTIGZSA-N	310.378	3.332	10	20	DGCD	
CC(C)C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	769403790	WRLRICOHYXRHPI-GOSISDBHSA-N	302.462	3.391	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2nccnc2c1)c1ccc(N(C)C)cc1	773000341	OQJYMCNKYNXFRH-CYBMUJFWSA-N	320.396	3.187	10	20	DGCD	
COCC1(C)CCN(Cc2cc(Cl)cc(F)c2O)CC1	779606134	LXVFHQOERNUDPH-UHFFFAOYSA-N	301.789	3.433	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]([C@H](C)O)C2)cc1F	780892553	LIIIWFFRTVURPZ-GOEBONIOSA-N	308.441	3.265	10	20	DGCD	
Oc1c(Br)cccc1CN1CCC[C@@H]1c1ncc[nH]1	783672940	KTKUOQUSRBQFFI-GFCCVEGCSA-N	322.206	3.215	10	20	DGCD	
C[C@H]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	793275093	VMNNBCCRBSQIPB-GOEBONIOSA-N	303.450	3.330	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cccc3c2CCO3)cc1	794759366	SVZPAWITYYTIGT-UHFFFAOYSA-N	311.385	3.009	10	20	DGCD	
Cc1noc([C@@H]2CCCN2Cc2cc3c(cc2O)CCCC3)n1	795750996	AYKJTPLHRQZFAJ-INIZCTEOSA-N	313.401	3.300	10	20	DGCD	
C[C@@H](N[C@H](CCO)Cc1ccccc1)c1ccc(N(C)C)cc1	799732528	ZZSVFPKFKOHVBS-VQIMIIECSA-N	312.457	3.397	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)NC1CCCC1	801596565	FTBKXTMPFAFTGK-OAHLLOKOSA-N	318.461	3.442	10	20	DGCD	
Cc1oc(C(C)C)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1	803717310	PKFLOFOHRNCOSK-UHFFFAOYSA-N	318.325	3.162	10	20	DGCD	
O=C(NCCC1CC1)NCc1cc(Cl)cc(Cl)c1O	805159567	JNDNTUDYZXPYKY-UHFFFAOYSA-N	303.189	3.298	10	20	DGCD	
CC[C@@H](NCCn1cccn1)c1ccc(C(F)(F)F)cc1O	810224396	WTUZSBDTYOSULA-CYBMUJFWSA-N	313.323	3.348	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2cn(-c3ccccc3)nn2)c(O)c1	815596551	XOQKQNKCLNVQEV-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)nn1C(C)C	817358005	PUTNGSQSWSFIMD-UHFFFAOYSA-N	315.421	3.160	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3nnc(C(C)C)o3)C2)cc1	819935675	SGXKNIJPYSUAQC-ZDUSSCGKSA-N	316.405	3.140	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)C[C@@](C)(O)c1ccccc1	822515973	GOQTXUTWZNBRFU-QGZVFWFLSA-N	305.805	3.385	10	20	DGCD	
CCSc1cccnc1C(=O)NCc1ccc(N(C)C)cc1	823730347	UNIZVMPAEVDVGZ-UHFFFAOYSA-N	315.442	3.190	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](O)c2ccccc2C)cc1Cl	825255267	ZGAJYVHOSUBPGH-QGZVFWFLSA-N	305.805	3.486	10	20	DGCD	
Cc1csc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1	829916109	ULIBJDMZOXKKDE-UHFFFAOYSA-N	311.428	3.488	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2ccc3c(c2)CCCN3C)[C@@H]1SC	838918641	UAMPLBXTFFWAAM-NXHRZFHOSA-N	320.502	3.068	10	20	DGCD	
CS[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839920971	WCFKFILDXAFIIN-KBPBESRZSA-N	308.491	3.250	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ccncc1F	840975754	LNKHNXBAQMQDAD-CQSZACIVSA-N	301.409	3.316	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccccc2Cl)cc1	841044159	UFBDXHVOMOCQFD-QGZVFWFLSA-N	303.837	3.196	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](CO)CC2CCCCC2)c1	841763581	ZYZZGEAORDVXSN-ZFWWWQNUSA-N	307.434	3.383	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@@H]1CCO[C@H](C(F)(F)F)C1	846056260	RYXGEGOCWHWGCM-PWSUYJOCSA-N	309.715	3.245	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c1O	846145458	FCUSBHYMGSAZRC-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](CCO)c2ccccc2)c1O	846145560	OQEZESXCEJNZLG-XJKSGUPXSA-N	301.386	3.175	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O	851792101	KTMVVQTVYVHIRJ-DJIMGWMZSA-N	316.445	3.052	10	20	DGCD	
CC1(C)OC[C@@H](CN(Cc2ccco2)Cc2ccccc2O)O1	851841381	PZQRCBLGCLBNCI-MRXNPFEDSA-N	317.385	3.139	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)N3C[C@H]4C[C@@H]4C3)c2C)cc1	862550373	JZUVHMWESIPTBO-HUUCEWRRSA-N	310.397	3.195	10	20	DGCD	
Cc1cccc(O)c1CN1CCC(NC(=O)OC(C)(C)C)CC1	876583314	HNAKWBDPZZULDY-UHFFFAOYSA-N	320.433	3.190	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(C(F)F)[nH]n1	879888909	XSJFAFVVIJWFAU-UHFFFAOYSA-N	323.343	3.495	10	20	DGCD	
Oc1c(CNCCO[C@H]2CCCCO2)ccc2ccccc12	894796406	IGZGASXYRHPWGL-KRWDZBQOSA-N	301.386	3.178	10	20	DGCD	
CCN(CC)c1ccc(CNc2c(C)ccn(C)c2=O)cc1F	902254586	GUTKOPVIYMABOG-UHFFFAOYSA-N	317.408	3.291	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OCc3noc4c3COCC4)cc12	902753518	MLKLKLDEBBFLGM-UHFFFAOYSA-N	312.369	3.435	10	20	DGCD	
C[C@@H](CC1CCCC1)C(=O)N(CC(=O)O)Cc1ccccc1O	911484352	BFCCSIYIEWMFRV-ZDUSSCGKSA-N	319.401	3.022	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N=c2cc[nH]cc2)cc1	919897044	VEFQAVASLWQKQG-UHFFFAOYSA-N	312.417	3.014	10	20	DGCD	
CC(=O)N1CCC(CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)CC1	1116564999	DCHGTPIAVSUVIQ-BBRMVZONSA-N	316.445	3.097	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ncc(Cl)s1	1321180337	VGVKGYSTXSDBLQ-UHFFFAOYSA-N	321.833	3.327	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@]2(C)CCO[C@@H]2C2CC2)cc1F	1328688194	HCYYAZGYSLFSSI-IAGOWNOFSA-N	310.388	3.078	10	20	DGCD	
N[C@@H]1c2ccccc2C[C@H]1NCc1ccc(N2CCCC2)cc1	1335289163	KIZDPHZTQFYZIZ-WOJBJXKFSA-N	307.441	3.001	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCC3)c1	114566376	PNQBUHYDJMXNFP-UHFFFAOYSA-N	312.369	3.211	10	20	DGCD	
Cc1cc(F)c(S(=O)(=O)Nc2ccc(O)cc2C)cc1F	121659472	XXXYZQFBFWZOKL-UHFFFAOYSA-N	313.325	3.088	10	20	DGCD	
C[C@@H](NC[C@H](c1cccc(F)c1)N(C)C)c1ccccc1O	183371561	PBGGBFNWVPBAJG-CXAGYDPISA-N	302.393	3.485	10	20	DGCD	
COc1ccc(N(C)Cc2cccc(OC)c2OC)cc1F	180775076	CORDNEDPGJFUAV-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
O=C(c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1	78917817	NGLOHARRFISSCH-QGZVFWFLSA-N	311.381	3.214	10	20	DGCD	
CCOC(=O)[C@H](NCc1cccc(Cl)c1O)c1ccccc1	194748988	HGEQZOGKRBHCBZ-OAHLLOKOSA-N	319.788	3.440	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccoc3Cl)ccc21	192296725	VERZIIBIFAAGCC-UHFFFAOYSA-N	304.777	3.245	10	20	DGCD	
Nc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1	237967032	FHMOMEVSTKFBJA-UHFFFAOYSA-N	314.360	3.095	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](C2CC2)C1	362397846	URGYHSJGCAAANN-QGZVFWFLSA-N	311.429	3.004	10	20	DGCD	
CC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)C(F)F	454878475	STBJWVQSFURSQW-GFCCVEGCSA-N	309.360	3.330	10	20	DGCD	
CC[C@@H]1C[C@@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1	272578584	KTNPHWOBRRIQMM-FUHWJXTLSA-N	318.461	3.306	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c1	273463298	IMZFUKAJVSFDHZ-QAPCUYQASA-N	324.424	3.152	10	20	DGCD	
COc1cccnc1NC(=O)NCc1c(C)c2ccccc2n1C	548090469	IXNLWNAWZJTBKD-UHFFFAOYSA-N	324.384	3.212	10	20	DGCD	
Oc1cc2c(cc1CN[C@H]1C[C@H](c3cccc(F)c3)C1)OCO2	280626419	LOUHGIQFPRUXOY-NNUKFRKNSA-N	315.344	3.296	10	20	DGCD	
O=C(CC[C@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1O	807840287	XDPBBSWOMIDCGM-VIFPVBQESA-N	318.200	3.132	10	20	DGCD	
COCc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)no1	297597005	FOVVCTKQNROSQT-UHFFFAOYSA-N	315.417	3.052	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1ccc(Br)cc1O)C1CC1	293636851	GWCYGRCLQINYFK-XPTSAGLGSA-N	314.223	3.230	10	20	DGCD	
Cc1noc([C@@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)n1	293439022	JTXGDRQKULQNOC-MRXNPFEDSA-N	314.433	3.132	10	20	DGCD	
COc1cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(O)cc1C	811792388	OHTLQGPXFNAZAP-AEFFLSMTSA-N	317.429	3.243	10	20	DGCD	
CC[C@@H](NC[C@H](C)CCO)c1ccc(C(F)(F)F)cc1O	810220908	GTBKOPDSTQEWLE-ZWNOBZJWSA-N	305.340	3.470	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN1)c1ccc(N2CCCCCC2)cc1	817951231	CBMNVYOILCSFQR-WMZOPIPTSA-N	301.478	3.470	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@@H](c2ccccc2)C2CC2)cc1	817942604	PWBBQWVDUSEMOG-PMACEKPBSA-N	309.457	3.493	10	20	DGCD	
CCC(N)(CC)CN[C@@H](C)c1ccc(Br)cc1O	817959989	JSNPXTUMYFPWOR-JTQLQIEISA-N	315.255	3.323	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2nc(C(F)F)no2)cc1	822570384	KNJSTMACKJFSJN-UHFFFAOYSA-N	324.375	3.485	10	20	DGCD	
O=C1CC[C@H]2CN(C(=O)/C=C\c3cccnc3)c3cccc1c32	492622082	WOQURMJHOSFACK-PIZKADEWSA-N	304.349	3.202	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)[C@H](O)Cc2ccccc2)cc1Cl	825370122	JLOMUDNOIBMGHH-CXAGYDPISA-N	319.832	3.436	10	20	DGCD	
COc1ccccc1C1(C(=O)N[C@H](C)c2ccccc2O)CC1	827930397	JESGYWMSUZGGDE-CYBMUJFWSA-N	311.381	3.310	10	20	DGCD	
COc1ccc(N(CC2CC2)C(=O)c2cccc(O)c2O)cc1	836840748	QFLMWJKAMLLILG-UHFFFAOYSA-N	313.353	3.163	10	20	DGCD	
CCN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1	738969106	BAYJHRBCYWIEEC-UHFFFAOYSA-N	301.434	3.371	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C(=O)O)c2ccccc2F)c1	833734027	ZTVKOONQUVNROE-HWPZZCPQSA-N	319.332	3.016	10	20	DGCD	
CCOc1ccc(CNCc2cc(Cl)ccc2O)c(O)c1	846058473	PLRSQUXKYOYILU-UHFFFAOYSA-N	307.777	3.440	10	20	DGCD	
CC[C@H](C)N(CC(=O)O)Cc1ccc(N(CC)CC)c(F)c1	840997110	UFHZEJKEADEOMZ-ZDUSSCGKSA-N	310.413	3.357	10	20	DGCD	
CCOc1cc(CNCCc2ccc(N)cc2)ccc1OC	841036504	PFWXCJUACYGWEA-UHFFFAOYSA-N	300.402	3.008	10	20	DGCD	
CCc1cccc(CN2CCC([C@@H](O)C(F)(F)F)CC2)c1O	848891042	WIOSBJVQWHKTKX-OAHLLOKOSA-N	317.351	3.090	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccn(CC(F)(F)F)n1	840937439	SYJQAQVMLNXUIY-UHFFFAOYSA-N	312.339	3.432	10	20	DGCD	
COc1ccccc1C1(c2noc(Cc3ccc(N)cc3)n2)CC1	843235989	YLXRBNOQYIOCRT-UHFFFAOYSA-N	321.380	3.331	10	20	DGCD	
CCc1ccc(CNC(=O)CN(C)c2ccc(OC)cc2)s1	844353178	QAONFYUNDBNOGS-UHFFFAOYSA-N	318.442	3.072	10	20	DGCD	
CC[C@H](C)Oc1cc(/C=C2\SC(=S)NC2=O)ccc1OC	749452884	QMZOPILILVUZPV-LMRAXHDRSA-N	323.439	3.361	10	20	DGCD	
C[C@H](CNCc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C	848926140	LRBXRSMOBISMKO-SECBINFHSA-N	317.788	3.252	10	20	DGCD	
Cc1ccc([C@H](C)NCc2cn(-c3ccccc3)nn2)c(O)c1	756741117	CYJMCDSHRHVSPC-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
CC[C@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O	850555416	IFDJQNHWLGJIII-HIFRSBDPSA-N	304.434	3.080	10	20	DGCD	
Cc1cc(CNCc2c(O)cccc2Br)cc(C)n1	858179016	DSTYMIFJRTYEPB-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
OC[C@@H](CNCc1cc(Cl)cc(Cl)c1O)CC1CC1	850387908	CGIPPKLKIOHLMQ-SNVBAGLBSA-N	304.217	3.197	10	20	DGCD	
CSC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O	854473583	BKLAEOPQIWTKJC-UHFFFAOYSA-N	308.230	3.457	10	20	DGCD	
CCO[C@@H]1COCC[C@H]1N[C@H](C)c1cc2c(cc1O)CCCC2	760885974	NDBOGARNYHFYPH-OMWUSAIZSA-N	319.445	3.116	10	20	DGCD	
OCCCN(Cc1ccccc1)Cc1c(O)cccc1Cl	769326355	KFXUASROYMVXFE-UHFFFAOYSA-N	305.805	3.430	10	20	DGCD	
C[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1	765359773	YLHPMEQQQWLXMV-DOTOQJQBSA-N	323.440	3.209	10	20	DGCD	
CCCC(C)(C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1116031421	FFFVIGYZGAKQNS-UHFFFAOYSA-N	307.457	3.246	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H](O)c1ccc(OC(C)C)cc1	877040051	NIBDJNPZMOGTCS-LJQANCHMSA-N	315.413	3.311	10	20	DGCD	
O=C(CC1CCN(Cc2ccccc2O)CC1)NC1CCCC1	778998927	GCMVVNVCEONQMH-UHFFFAOYSA-N	316.445	3.053	10	20	DGCD	
CCCc1nc(C)c(NC(=O)c2ccc(C)c(O)c2O)s1	777399070	MXUPXUSZHWWHCJ-UHFFFAOYSA-N	306.387	3.376	10	20	DGCD	
C[C@@H](NC(=O)CSC(F)(F)F)c1ccc(N(C)C)cc1	773021828	TUHBDYMKHQYGGP-SECBINFHSA-N	306.353	3.183	10	20	DGCD	
Cc1cccc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O	775649367	OUSWKSMBJGZZMH-HNNXBMFYSA-N	320.433	3.142	10	20	DGCD	
CC(C)c1nn(C)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773005629	CFOURZFNLFWNOU-CYBMUJFWSA-N	314.433	3.101	10	20	DGCD	
Oc1ccc2c(c1)CC[C@@H](NCc1cc(F)cc(F)c1O)C2	883104455	AEJNQUHRNOWRBP-CQSZACIVSA-N	305.324	3.023	10	20	DGCD	
C[C@H](NCc1ccnc(OC(F)F)c1)c1c(O)cccc1F	886607666	WFBHZDJGJXTPDO-VIFPVBQESA-N	312.291	3.379	10	20	DGCD	
C[C@@H](NCCN1CCc2sccc2C1)c1c(O)cccc1F	886510192	YGQLDLAUEYMGPJ-GFCCVEGCSA-N	320.433	3.302	10	20	DGCD	
Cc1cc(Cn2cc(-c3cc[nH]n3)nn2)ccc1N1CCCCC1	881378538	DVPJTXQYDWIYEU-UHFFFAOYSA-N	322.416	3.015	10	20	DGCD	
COC(=O)c1cc(NCc2cccc(OC)c2O)c(C)cc1C	788270462	XITQLKBCJGXXAM-UHFFFAOYSA-N	315.369	3.416	10	20	DGCD	
CCC(CC)CC(=O)NCCNCc1ccc(OC)c(C)c1	1135846946	DRRNUCDSBKAQTR-UHFFFAOYSA-N	306.450	3.036	10	20	DGCD	
Cc1ccc(O)c(CNc2cccc(N3C(=O)CCCC3=O)c2)c1	793259656	MUHSJWVEWCGABT-UHFFFAOYSA-N	324.380	3.356	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(Cl)ccn2)c1	794354379	SRTAJOSNNIIKLB-SECBINFHSA-N	321.764	3.332	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1	76275557	KAEUMCOGVFHOLE-INIZCTEOSA-N	310.441	3.499	10	20	DGCD	
COCCCCCNCc1cccc(Br)c1O	101596283	WMDMFKJTYMEHAC-UHFFFAOYSA-N	302.212	3.061	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1cccc(N=S(C)(C)=O)c1	1610578951	RNJAPRXRTWVOJH-UHFFFAOYSA-N	323.370	3.224	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@@H](C(=O)O)c2ccccc2)cc1F	1598317380	FKLOLODDGQRIOV-QGZVFWFLSA-N	316.376	3.149	10	20	DGCD	
COc1cc(CNC[C@H](C(=O)O)C(C)C)c(O)c(C(C)(C)C)c1	1594058378	SEEGFYKOSSDYMA-AWEZNQCLSA-N	323.433	3.145	10	20	DGCD	
CCN1CCc2cc(CNC[C@H](CC(=O)O)CC(C)C)ccc21	1776877769	XTAHEFBOPOKAOQ-INIZCTEOSA-N	318.461	3.296	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCOC[C@@H]2CCCO2)cc1	163477594	LTIZXBIIUSPFLT-LPHOPBHVSA-N	320.477	3.379	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	155673330	UJZGQICQQIJPII-HZPDHXFCSA-N	313.445	3.250	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)c3cncs3)CC2)cc1	157390807	VQUNMZBJSMMHCG-CYBMUJFWSA-N	317.458	3.471	10	20	DGCD	
C[C@H](NCc1cc(Br)ccc1O)[C@H]1CCCOC1	389098033	RCHFZDYDJLMFBQ-QWRGUYRKSA-N	314.223	3.059	10	20	DGCD	
C[C@@H]1CCCC[C@H]1NC(=S)NCc1ccc(N(C)C)cc1	7371704	CRPPDGSYRFUSBI-CZUORRHYSA-N	305.491	3.295	10	20	DGCD	
CNC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	40592903	CCNNGUHTDXAKQR-JTQLQIEISA-N	303.233	3.130	10	20	DGCD	
C[C@H](N[C@@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1	90036402	OZOUYRPVIHVJCB-GOEBONIOSA-N	304.409	3.422	10	20	DGCD	
C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(N(C)C)cc1	90221163	GWJRRLXDDPKBFR-PEBXRYMYSA-N	316.470	3.341	10	20	DGCD	
CC(C)CONC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	120435217	ZAARAEPVYCQHGH-UHFFFAOYSA-N	319.449	3.406	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2[C@H](C)CCC[C@H]2C)cc1F	121776771	WDCIHFCMFXPGEH-CHWSQXEVSA-N	308.397	3.060	10	20	DGCD	
COCCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	122211759	RLNUIQDRSHRZCP-UHFFFAOYSA-N	318.461	3.452	10	20	DGCD	
CC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	128688164	HVLNDOSDAHVCCJ-NSHDSACASA-N	316.376	3.331	10	20	DGCD	
C[C@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(N2CCOCC2)cc1	155670805	MVAABIRFKNRANE-PBWTXFEYSA-N	312.457	3.386	10	20	DGCD	
Cc1ccc(O)c(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1	179429440	AIQPCNSPOAJBAU-GOSISDBHSA-N	301.361	3.413	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@H](Oc3cccc(F)c3)C2)c1	183209516	HAEKMBQBTFCRDG-KRWDZBQOSA-N	317.360	3.193	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C	192691165	NZWSQZBVPWHDDZ-GHMZBOCLSA-N	312.385	3.095	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](C(C)C)N2CCCC2)c1	192952696	LBPHKOZSQDCEKT-WMLDXEAASA-N	306.450	3.172	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)C12CCCC2	236904718	OYUMKYPDAJTNEJ-ZWKOTPCHSA-N	301.430	3.449	10	20	DGCD	
COc1coc(CN(C)c2ccc(OC(C)C)cc2)cc1=O	277105570	GUOUYXQESBGDRS-UHFFFAOYSA-N	303.358	3.072	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccc(C)cc2O)[C@]12CCCO2	280218769	UNXYJVGNBBHVAU-GDAAHCPNSA-N	319.445	3.468	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(C)(C)CO	295770934	COSUIBUGGIJCTM-UHFFFAOYSA-N	320.458	3.246	10	20	DGCD	
Oc1cccc2c1[C@@H](NCC1CCN(c3ccncc3)CC1)CC2	296960350	RCBNPSVIAOWUQL-SFHVURJKSA-N	323.440	3.281	10	20	DGCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1	298322087	FTOCKAIGXOMXSH-UHFFFAOYSA-N	301.390	3.100	10	20	DGCD	
CCOCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	298503116	IHPJURVXJGBPEX-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(CN2CCCCC2)cc1	299581623	REINPPISRVSLHK-UHFFFAOYSA-N	324.424	3.308	10	20	DGCD	
CCC(CC)N(CCOC)Cc1cc(F)cc(C(C)=O)c1O	314594549	HJHAXVWVYWYSIW-UHFFFAOYSA-N	311.397	3.371	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CCN2CCCC[C@H]12	315573659	PVBWQJMHXDPRAG-FXUDXRNXSA-N	300.446	3.465	10	20	DGCD	
C[C@H]1C[C@H](NCc2cccc(Br)c2O)C[C@@H](C)O1	694798847	BMMPJZFINXTFIA-PEGIJTEDSA-N	314.223	3.200	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2c(O)cccc2Br)CS1	706872015	BOTHUCYTMRRFLX-RKDXNWHRSA-N	302.237	3.138	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)CN2CCCCC2)ccc1OC	731449108	PCYWJAQZOISCGX-INIZCTEOSA-N	320.477	3.196	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCc1coc2ccccc12	734072339	WGFXLUNCQHTDOT-UHFFFAOYSA-N	310.353	3.480	10	20	DGCD	
Cc1cccc(N(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)n1	735812689	QHAXMOQEGDNXAR-UHFFFAOYSA-N	320.396	3.469	10	20	DGCD	
CCOc1ccc(N(C)Cc2nnc3n2CCCCC3)cc1	739922583	MXJMPTRTJQMJEL-UHFFFAOYSA-N	300.406	3.040	10	20	DGCD	
O=C(/C=C\c1cccnc1)NCc1ccc(N2CCCCC2)cc1	742476199	NEHOEBHITZFUPO-FLIBITNWSA-N	321.424	3.402	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C(C)(C)C1	746755395	PRQWBUAZMWTNSO-LBPRGKRZSA-N	307.413	3.222	10	20	DGCD	
CCN(Cc1ccnc(N(C)C)c1)c1ccc(OC)c(OC)c1	754058072	CYEFRLWYJWZGLW-UHFFFAOYSA-N	315.417	3.191	10	20	DGCD	
COc1cc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)ccn1	756402770	YKGBQBNQSJKSHG-ZWNOBZJWSA-N	302.349	3.273	10	20	DGCD	
C[C@H](NC[C@H](O)c1cccc(F)c1)c1cc(F)cc(F)c1O	756477296	XDSFEVWLQLDOCG-VFZGTOFNSA-N	311.303	3.194	10	20	DGCD	
CN(C)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	757703749	JCPHZXXSPXVKCP-UHFFFAOYSA-N	304.777	3.424	10	20	DGCD	
C[C@H](NCC1(CN(C)C)CCCC1)c1cc(F)cc(F)c1O	760896554	GSBWYFXPFWCQIF-LBPRGKRZSA-N	312.404	3.443	10	20	DGCD	
C[C@@H](O)CN(Cc1ccccc1)Cc1c(O)cccc1Cl	768893476	RLOGGSWQCQKSTO-CYBMUJFWSA-N	305.805	3.429	10	20	DGCD	
CC(C)n1nccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773000918	QRBNBGNTODNSKM-CYBMUJFWSA-N	300.406	3.021	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C2CC2)[C@@H](C)C(C)C)c1O	774822364	WDJQESLTMNCGFY-NSHDSACASA-N	308.378	3.318	10	20	DGCD	
CCO[C@@H]1COCC[C@H]1N[C@H](CC)c1cc(Cl)ccc1O	775554670	CZTXJNRISVEXHI-IIAWOOMASA-N	313.825	3.280	10	20	DGCD	
CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(N(C)C)cc1	801601178	ZDIUTJPGGNURKQ-UHFFFAOYSA-N	313.401	3.335	10	20	DGCD	
C[C@@H](CN(C)C)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1	806169949	MQMHBKHHMNOSLU-LSDHHAIUSA-N	307.457	3.417	10	20	DGCD	
Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1C	807836614	HJXCVJAGLZSGSM-UHFFFAOYSA-N	313.184	3.276	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](C2CC2)C(F)(F)F)c1O	808438947	RVOOPIQKFSOIIS-NSHDSACASA-N	324.686	3.384	10	20	DGCD	
COc1ccc(O)c(CNc2ncc(Br)cc2C)c1	811806293	PUDNFRYWMRHPJL-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
CCCc1nc(C)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)o1	815835138	KZUUVXSJOUQQIL-JTQLQIEISA-N	318.373	3.141	10	20	DGCD	
CN(Cc1c(F)cccc1F)C(=O)/C=C/c1ccc(O)c(O)c1	818552128	TVGNMESCTNFWFH-SOFGYWHQSA-N	319.307	3.048	10	20	DGCD	
C[C@@H]1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CC1	819169258	YWKBTJDGOMKFSU-UKRRQHHQSA-N	316.401	3.125	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C[C@@]2(C)CC2(Cl)Cl)cc1	822226982	PSPNSKHOBRLAII-AWEZNQCLSA-N	315.244	3.343	10	20	DGCD	
CCOC(=O)CN(C/C(Cl)=C/Cl)Cc1ccccc1O	823575957	FQBXHYXSXVBVIG-GHXNOFRVSA-N	318.200	3.076	10	20	DGCD	
CCCn1nccc1CN(CC)Cc1ccc(N(C)C)cc1	824484427	GTDPJKZXZQRWFI-UHFFFAOYSA-N	300.450	3.381	10	20	DGCD	
CC[C@@H](NCc1ccc(OCc2ccccc2)cc1O)[C@@H](C)O	824922236	YJCAYKQJYYWYDK-RDTXWAMCSA-N	315.413	3.220	10	20	DGCD	
COCC1(CNCc2cc(Cl)cc(F)c2O)CCCC1	825245975	VHTRIARAHMRZGW-UHFFFAOYSA-N	301.789	3.481	10	20	DGCD	
CCc1cccc(CNC[C@@H]2CCCN(CC3CC3)C2)c1O	827951103	WLLSHAROKCGFMC-INIZCTEOSA-N	302.462	3.166	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CCO)c2ccccc2F)cc1	830354996	BBIBTTKPLRUEKI-LJQANCHMSA-N	316.420	3.495	10	20	DGCD	
COc1ccc(N(Cc2nnc3n2CCCC3)CC2CC2)cc1	831588275	WHUGASBKDLNPRI-UHFFFAOYSA-N	312.417	3.040	10	20	DGCD	
OC[C@]1(CN[C@@H]2CCc3cccc(O)c32)C[C@H]1c1ccccc1	834803018	IGUZGZSFSIUMHX-SQGPQFPESA-N	309.409	3.135	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1O	834887029	XOWSNIUFRCTVFF-ZJUUUORDSA-N	300.305	3.386	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)C3(OC)CCC3)CC2)cc1	840884228	KQWBBNXBFWZOGC-OAHLLOKOSA-N	318.461	3.211	10	20	DGCD	
Cc1ccc(O)c(CN(Cc2ccccc2)[C@H]2CCCNC2)c1	843052924	OYMKUZRKUDRVIO-IBGZPJMESA-N	310.441	3.455	10	20	DGCD	
NCC[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	843122466	CYZDNLAKZGGNMX-SFHVURJKSA-N	301.478	3.380	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@@H]3CNC[C@@H]3C2)cc1	843343144	UEPKZARFZHGCBJ-FGTMMUONSA-N	301.478	3.011	10	20	DGCD	
COc1cc(CNCCOC2CCC2)c(O)c(C(C)(C)C)c1	850165493	HZUJCZAVYUCPQX-UHFFFAOYSA-N	307.434	3.357	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1	850501493	NFXQZQFZKLKQEA-IDWSUWKASA-N	322.518	3.483	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1F)c1ccccc1O	868696145	LGWNYUOIALYTHR-DIOULYMOSA-N	314.360	3.448	10	20	DGCD	
Cc1cc(O)c([C@H]2NC(C)(C)C(=O)N2c2ccccc2)cc1C	877857592	VPTAVMXLGPRMQK-KRWDZBQOSA-N	310.397	3.423	10	20	DGCD	
CN(C)c1ccc(CN[C@H](Cn2ccnc2)c2ccccc2)cc1	880568858	FJEWIJNGPSBWIB-HXUWFJFHSA-N	320.440	3.480	10	20	DGCD	
CN(Cc1cc(F)cc(F)c1O)[C@H](CCO)c1ccccc1	894025966	AVLAREAZHCMQCL-MRXNPFEDSA-N	307.340	3.226	10	20	DGCD	
OCCN(Cc1ccccc1)Cc1ccc(N2CCCC2)cc1	1204320428	YGJSKPJZCGYKOV-UHFFFAOYSA-N	310.441	3.281	10	20	DGCD	
C[C@@H]1C[C@@H](C)N(Cc2ccc(N3CCCC3)cc2)C[C@@H]1CN	1325701909	CLIDHIRRIKLNHK-NUJGCVRESA-N	301.478	3.092	10	20	DGCD	
CN[C@@H](C)CCN[C@@H](C)c1cc(Br)cc(C)c1O	1326035744	MEMAXTPTTKJAEH-QWRGUYRKSA-N	315.255	3.112	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)cc1F	1328739796	DEQNFNLLEQXWLO-AYOQOUSVSA-N	324.399	3.094	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC([C@H]2CCCN2)CC1	1345942724	GNCFQECLVZLKFC-HXUWFJFHSA-N	313.489	3.251	10	20	DGCD	
COc1cc([C@@H](C)NCCCSc2nccs2)ccn1	1349839613	MDTJNLPERWWOAJ-LLVKDONJSA-N	309.460	3.380	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)C2CCCC2)c(C)c1	1776856137	VHEYCZBDHGIVJN-QGZVFWFLSA-N	304.434	3.184	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(C(=O)O)CCC[C@@H]3C[C@@H]32)c(C)c1	1776856766	KJXDJWKQIFLXDU-DKSSEZFCSA-N	316.445	3.184	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2C[C@@H](C(=O)O)CC[C@@H]2C)c(C)c1	1776856784	LIENOJQSXZKJDT-DHSIGJKJSA-N	318.461	3.430	10	20	DGCD	
CN(C)c1ccc(CNCc2ccccc2Cn2ccnc2)cc1	30651674	BPONYXQUKFKWOO-UHFFFAOYSA-N	320.440	3.287	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C3CCCCC3)CC2)cc1	55877518	JFYGYIKARVAZRP-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)CCC(C)C)CC2)cc1	55877964	DPOAEVDGEDLGQJ-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccncc1Cl	73147715	VHUPOGYECWMRBU-UHFFFAOYSA-N	316.788	3.249	10	20	DGCD	
Oc1cccc2c1CC[C@H]2NCc1ccc(N2CCOCC2)cc1	105487224	GNWIDNIJLGYLMA-LJQANCHMSA-N	324.424	3.006	10	20	DGCD	
Cc1ccsc1CCCC(=O)NCCc1ccc(O)c(O)c1	122928784	BMEADJARGUVMGW-UHFFFAOYSA-N	319.426	3.149	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc3nc(S)oc3c2)c(O)c1O	182811800	OYZTZWVFERJVBP-UHFFFAOYSA-N	316.338	3.088	10	20	DGCD	
Cc1ccc(O)c(CN2CCN([C@H](C)c3nccs3)CC2)c1	185609716	LQCBUHQFRXCIOD-CQSZACIVSA-N	317.458	3.036	10	20	DGCD	
CC[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1	186041542	AAIGUJGACKAVFZ-SYJIQKIWSA-N	323.392	3.475	10	20	DGCD	
O=C(C1CCN(Cc2c(O)cccc2Cl)CC1)C(F)(F)F	274919217	LRUUOVBHTYNAMB-UHFFFAOYSA-N	321.726	3.389	10	20	DGCD	
COc1cccc(CNc2ccccc2CCN(C)C)c1O	275662645	WAAYTUGPYYKEOM-UHFFFAOYSA-N	300.402	3.117	10	20	DGCD	
COc1ccc(O)c(CNc2ccccc2CCN(C)C)c1	275973788	LWRVFHBLGHXAQW-UHFFFAOYSA-N	300.402	3.117	10	20	DGCD	
O=C(NCc1ccccc1O)NC[C@H]1CCC2(CCCCC2)O1	276509005	CUQWVWXRQWUGBO-OAHLLOKOSA-N	318.417	3.073	10	20	DGCD	
CC[C@@H](N[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1O	286195714	RAUHJRUXKGZQTN-NVXWUHKLSA-N	303.377	3.176	10	20	DGCD	
COCc1nc(CN[C@@H](C)c2ccc(C)c(C)c2O)cs1	289947678	WGSKGYGUCGTXKF-LBPRGKRZSA-N	306.431	3.463	10	20	DGCD	
OCc1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1	323369324	DFRUMTKJCBNGFE-UHFFFAOYSA-N	310.441	3.459	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2C[C@H]3CCC[C@@H](C3)C2)c([N+](=O)[O-])c1	323403355	KXZFQZGFSYIFTD-XVMAMZMSSA-N	316.357	3.319	10	20	DGCD	
COc1ccc2c(c1)CCCN2C(=O)/C=C/c1cncc(F)c1	729308005	AQOVNLQPDJGGMP-QPJJXVBHSA-N	312.344	3.222	10	20	DGCD	
CCCCSCC(=O)NCc1ccc2c(c1)CCCN2C	746813080	PWSNMELAYQDBHV-UHFFFAOYSA-N	306.475	3.219	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2	756545700	ODKXZXFIAFFLHA-CJNGLKHVSA-N	300.446	3.158	10	20	DGCD	
Cc1ccccc1[C@@H](O)CN[C@H](C)c1cc(F)cc(F)c1O	756576279	LXPPJZWTGVGGIF-BZNIZROVSA-N	307.340	3.363	10	20	DGCD	
CC[C@H](O)CCN[C@H](C)c1cc(Br)c(F)cc1O	756657652	FAECDOMEWUBJJE-BDAKNGLRSA-N	320.202	3.105	10	20	DGCD	
C[C@@H](N[C@H]1CCSC1)c1cc(Br)cc(F)c1O	756730855	CAVAHPSCJHHFHC-APPZFPTMSA-N	320.227	3.450	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccno2)c1C	758538882	UAFYHGZWTRTAFJ-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
CCc1ccccc1NC(=S)NCc1ccc(OC)cn1	766515251	CZXULOZUMDTSQZ-UHFFFAOYSA-N	301.415	3.139	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC(C)(C)C1	768775306	ZIELHHVIHRWLGC-OAHLLOKOSA-N	303.450	3.473	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](CN3CCCC3)C2)cc1	773753963	NVVAZFBOMWLDBI-SFHVURJKSA-N	301.478	3.060	10	20	DGCD	
Cc1ccc([C@@H](O)CNCc2cc(Cl)cc(F)c2O)cc1	775200635	NIJVYFARHOMOBY-HNNXBMFYSA-N	309.768	3.316	10	20	DGCD	
CC(C)n1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1	775649235	IYPUHERZMBBAIF-ZDUSSCGKSA-N	315.421	3.413	10	20	DGCD	
CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cc(C)cc(C)c1	775782199	DGCICVHXMVQQTH-VOTSOKGWSA-N	311.385	3.168	10	20	DGCD	
Cc1nnc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)s1	788736532	VMCSFUDHXKPVOJ-ZETCQYMHSA-N	317.336	3.422	10	20	DGCD	
C[C@H](NCCCCCO)c1cc(Br)c(F)cc1O	790496622	WYCDNGHHAHGELM-VIFPVBQESA-N	320.202	3.107	10	20	DGCD	
COc1cc(NCc2cc(F)ccc2O)cc(-n2cccn2)c1	793269661	NMDIFJWXLWXVCJ-UHFFFAOYSA-N	313.332	3.338	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])c(O)c1	793387495	FOJLUZCHRUONCH-UHFFFAOYSA-N	322.748	3.252	10	20	DGCD	
CCN(C(=O)c1ccoc1CC(N)=O)c1ccc2ccccc2c1	795854866	HVCFQGMZHFRYNE-UHFFFAOYSA-N	322.364	3.127	10	20	DGCD	
CC1=C(C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1	797441209	VWUVSZGJNYMRGA-UHFFFAOYSA-N	313.445	3.321	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(N)cc1[N+](=O)[O-]	804461434	ZTQDJMZVQVGSJQ-UHFFFAOYSA-N	300.362	3.164	10	20	DGCD	
CN(C)c1ccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1F	811510700	NDUZHVXQCAPQFU-SJORKVTESA-N	306.425	3.281	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(F)CCCCC1	813032551	QQWMKUGNOPUOCM-UHFFFAOYSA-N	306.381	3.150	10	20	DGCD	
Cc1nc([C@@H]2CCCN(Cc3ccc4ccccc4c3O)C2)n[nH]1	816521731	XOGZGPCXOPFEQX-MRXNPFEDSA-N	322.412	3.352	10	20	DGCD	
O=[N+]([O-])c1ccccc1CNCc1cc(Cl)c(F)cc1O	816535908	FNXRKTRHOHBCEU-UHFFFAOYSA-N	310.712	3.383	10	20	DGCD	
COc1cccc(CNC(=O)N(C)Cc2ccccc2O)c1C	824140559	RMJPJNBHHQDXAV-UHFFFAOYSA-N	314.385	3.051	10	20	DGCD	
Cc1cnc(CN(C)c2ccc(OCCN(C)C)cc2)s1	824160800	KEYRIFFGQXVZJD-UHFFFAOYSA-N	305.447	3.028	10	20	DGCD	
Cc1cc(O)c(CNc2cnn(CC(F)F)c2)cc1Cl	825037954	MDIRYMPDFRPFGC-UHFFFAOYSA-N	301.724	3.428	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccoc2C(=O)O)cc1	833654133	CHSXDTYJTFTKIL-UHFFFAOYSA-N	302.374	3.114	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@]1(O)CCCc3ccccc31)CC2	834576161	TUXFIKGISOMZGX-YLJYHZDGSA-N	309.409	3.193	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc(Br)cc(C)c1O)[C@@H](C)O	834888255	NZTVRUZGHUKVJU-BREBYQMCSA-N	316.239	3.273	10	20	DGCD	
COC1CCC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	838559715	OYQYYMIJMSECEO-BZOOQXSSSA-N	319.449	3.070	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCOC[C@@H](C2CCC2)C1	840950159	KSCSGFRRHZLDQG-SFHVURJKSA-N	302.462	3.310	10	20	DGCD	
COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc(N)cc1)C2	841299464	LDTUPGAEXGQSJY-UHFFFAOYSA-N	323.396	3.357	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CO)CC2CCCCC2)c1	841763579	ZYZZGEAORDVXSN-UKRRQHHQSA-N	307.434	3.383	10	20	DGCD	
COc1ccc(CNc2cc(SC)nc(SC)n2)c(O)c1	848694585	XSGSXPZKWNJRQR-UHFFFAOYSA-N	323.443	3.247	10	20	DGCD	
CCCC(=O)NC[C@H]1CCCN(Cc2cccc(CC)c2O)C1	848883470	FQTWJCFFNAKQHH-OAHLLOKOSA-N	318.461	3.083	10	20	DGCD	
COc1cc(CNCC2(CO)CCCC2)c(O)c(C(C)(C)C)c1	850250393	RUXDDLNNEKJCMK-UHFFFAOYSA-N	321.461	3.341	10	20	DGCD	
CC(C)CC1(NCc2ccc(N3CCN(C)CC3)cc2)CC1	850404356	IVSFOCSIGPYOGH-UHFFFAOYSA-N	301.478	3.107	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@]2(C)c2ccccc2)c1	858248182	UADQWZCMCUTUKU-HKUYNNGSSA-N	310.397	3.230	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC(F)(F)C(F)(F)F	864633456	HAJZPUBXOJYUQZ-UHFFFAOYSA-N	324.293	3.299	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2cnc(C)s2)c1	868934290	JGQDCMVFFCIWBU-JTQLQIEISA-N	305.403	3.026	10	20	DGCD	
CCCOc1ccc(CNC2CCC(NC(C)=O)CC2)cc1C	873036480	XDKHBZHPADGZHH-UHFFFAOYSA-N	318.461	3.321	10	20	DGCD	
CC[C@](C)(CN(Cc1ccccc1O)C[C@H]1CCCO1)OC	876531420	FXPVABHACSTLKH-SJLPKXTDSA-N	307.434	3.188	10	20	DGCD	
COc1ccc(CNCc2ccc(C)cc2O)c(OC)c1OC	876943699	HPHPANHAGKPMIG-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H]1CCN(c2ccc(F)cc2)C1	876969902	CXOAMNOJJGRIQJ-OAHLLOKOSA-N	314.404	3.456	10	20	DGCD	
CCS[C@H](C)c1noc(CN[C@H](C)c2ccccc2O)n1	879648610	WGIXGMFBBCWMIG-GHMZBOCLSA-N	307.419	3.440	10	20	DGCD	
FC(F)C(F)(F)COCCNCc1ccc2c(c1)CCCO2	922060804	IVWPKVGBWMKZCJ-UHFFFAOYSA-N	321.314	3.018	10	20	DGCD	
CCN(C(=O)CNCc1cc(C)c(C)cc1O)c1ccccc1	922476543	CSOREJUTSBQUJQ-UHFFFAOYSA-N	312.413	3.152	10	20	DGCD	
COC[C@H](N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21)[C@@H]1CCCO1	1116853454	HBOPHCGCIYFFIE-FQLMCAECSA-N	305.418	3.033	10	20	DGCD	
COCc1nc(CNCc2ccc(N3CCCC3)cc2)cs1	1261201273	XANLEJJOXZBIRU-UHFFFAOYSA-N	317.458	3.180	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCNc1ncccn1	1320411709	RQBACTSIELEGHL-KGLIPLIRSA-N	312.417	3.131	10	20	DGCD	
C[C@H]1CCCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1320537997	NQSYXSVSZUFNCG-INIZCTEOSA-N	319.468	3.200	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[C@@H](F)C1	1328656037	CVHBMCIKBIFAEU-NEPJUHHUSA-N	300.761	3.126	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@@](CN)(c3ccccc3)C2)cc1C	1579218127	UMXOIBPSVHZFQF-PUZFROQSSA-N	310.441	3.152	10	20	DGCD	
CCc1ccc(NC(=O)CSc2ncc(C(=O)O)s2)cc1	1597544330	FILLJFLGTYFJIH-UHFFFAOYSA-N	322.411	3.135	10	20	DGCD	
CCN(C)c1ccc(CN[C@H]2CC[C@H](C(=O)O)CC2)c(C)c1	1776856587	CYGFNHWCCQOQRP-KOMQPUFPSA-N	304.434	3.184	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NCc3ccccc3)ccc21	58516790	BSIIWEAQGQIXJN-UHFFFAOYSA-N	309.413	3.068	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCCOCC1CC1	66698116	SOEPOTNJSLUXFE-UHFFFAOYSA-N	320.433	3.131	10	20	DGCD	
COc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cccnc1	74607939	XOWITURIOGZANA-VMPITWQZSA-N	302.761	3.420	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CCCc3ccccn3)ccc21	104049112	BOSBTAGRDDJLQG-UHFFFAOYSA-N	323.440	3.103	10	20	DGCD	
COc1cccc(CN(C)CCOc2ccccc2C)c1O	121538309	UHFQVSFORVXOBC-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
COc1cccc(CN2CCCN(c3ccccc3)CC2)c1O	130774800	AHNUECGEUURGNB-UHFFFAOYSA-N	312.413	3.113	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cc4occc4[nH]3)ccc21	133332215	LTMINWOIXPGKDV-UHFFFAOYSA-N	309.369	3.073	10	20	DGCD	
C[C@@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	136827208	XHGLWRRKEDDJNA-NXEZZACHSA-N	304.217	3.292	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3c(C)c(C)ccc3[nH]2)c1	173580682	YJXOHPMKTVSLCZ-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
CC(=O)Nc1cccc2c1CCN(Cc1cc(C)ccc1O)C2	179531802	VJRCWEUFBWRHOP-UHFFFAOYSA-N	310.397	3.217	10	20	DGCD	
Cc1cccc(CN(Cc2ccccc2)[C@H](CO)C2CC2)c1O	184788898	MUPLBLAIMAWTAY-LJQANCHMSA-N	311.425	3.474	10	20	DGCD	
O=C(Nc1ccc(F)cc1OCC1CC1)c1cccc(O)c1O	185720223	YMBCLRBWFVKXBL-UHFFFAOYSA-N	317.316	3.278	10	20	DGCD	
COc1ccc(O)c(CNCc2ccc(Br)o2)c1	188975008	GZECRAKSKBMXHK-UHFFFAOYSA-N	312.163	3.046	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@]2(CO)CC(C)C)c1O	191659984	CGJVGYGDKPWOQB-SFHVURJKSA-N	323.408	3.107	10	20	DGCD	
CN(C)c1ccc2cc(NC(=O)/C=C/c3cccnc3)ccc2n1	195072024	LPZZHPOPPMSHHU-BJMVGYQFSA-N	318.380	3.348	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(NC(=O)C3CC3)cc2)c1	237363664	UWRHUTAXBWLABD-UHFFFAOYSA-N	312.369	3.361	10	20	DGCD	
COc1cc(O)c(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1OC	248416839	JBJFYXSHUBABNA-QEJZJMRPSA-N	305.418	3.420	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCO[C@H](C)C2)cc1F	271970069	IDCJXUIFILNOIZ-UKRRQHHQSA-N	322.424	3.103	10	20	DGCD	
C[C@H](NC[C@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1O	273364751	DTRIFRGBBUNJSX-GXTWGEPZSA-N	321.367	3.172	10	20	DGCD	
C[C@H](N[C@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1O	273479872	LQAUNUZFIYJHFY-RYUDHWBXSA-N	306.362	3.053	10	20	DGCD	
CCc1nc([C@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)n[nH]1	273542176	YPKKJHVBSZNZBR-RYUDHWBXSA-N	314.433	3.363	10	20	DGCD	
Oc1ccccc1CN(C[C@@H]1CCSC1)C[C@H]1CCCO1	278392289	AIXXADAQSIIVRB-GOEBONIOSA-N	307.459	3.126	10	20	DGCD	
CSC1(CNCc2ccc(N3CCOCC3)c(F)c2)CCC1	278570282	DPMACXQIKGARJU-UHFFFAOYSA-N	324.465	3.038	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@@H]2CCN(c3ccccn3)C2)c(O)c1	284972333	FVHYROQYVRECDL-HZPDHXFCSA-N	311.429	3.334	10	20	DGCD	
CC[C@H](NCCC(=O)NC1CCCCC1)c1ccc(F)cc1O	286034358	KGIVZDADAXDDJP-INIZCTEOSA-N	322.424	3.411	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)COCC	291979270	YZLWNLXUPVWWLF-UHFFFAOYSA-N	322.449	3.377	10	20	DGCD	
CN(C)c1ccc(CNCc2cc(F)cnc2Cl)cc1F	294675411	AVOBTCNFBNNPFF-UHFFFAOYSA-N	311.763	3.369	10	20	DGCD	
C[C@@H]1C[C@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	298895670	WMSWETUFWYXVHJ-HIFRSBDPSA-N	301.434	3.083	10	20	DGCD	
Oc1cc2c(cc1CN[C@@H]1C[C@H]3C[C@H]1[C@@H]1CCC[C@@H]31)OCO2	315025928	WEPRUDIQYCYLLD-MYBUGEPTSA-N	301.386	3.035	10	20	DGCD	
O=C(O)c1cnc(Sc2ncccc2Br)s1	390498584	SGOBANCVLQCQAH-UHFFFAOYSA-N	317.189	3.150	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)C[C@H]3CC[C@H]2C3)c1	528863401	WBXVUAGONIUKJW-PAKFGRKTSA-N	303.402	3.404	10	20	DGCD	
CO[C@H]1CCN(Cc2ccc(Br)cc2O)[C@@H](C)C1	701177175	WVAPNVQTXUFZAE-GWCFXTLKSA-N	314.223	3.154	10	20	DGCD	
Oc1ccc(Cl)cc1CNCCN1CCc2ccccc21	725849525	PMWDSVBAZSBNDD-UHFFFAOYSA-N	302.805	3.198	10	20	DGCD	
C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	733332516	CYKNXJOXUGIAGV-CPUCHLNUSA-N	303.450	3.377	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CSc3ccccc32)c1	735509430	ZRIYCUOFLDBRCX-CYBMUJFWSA-N	302.355	3.237	10	20	DGCD	
CCN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CCC1	738991582	QJXDNDDCYMGZJF-UHFFFAOYSA-N	301.434	3.153	10	20	DGCD	
CCCN(C)C[C@@H]1CCN(Cc2c(O)ccc3ccncc23)C1	743390693	UXHXSQQJRSACNW-HNNXBMFYSA-N	313.445	3.104	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1cccc(F)n1	749235266	FSYRSWWHHGIUMQ-UHFFFAOYSA-N	317.364	3.048	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	749837911	HASOUSDMEZKUJX-GFCCVEGCSA-N	315.417	3.120	10	20	DGCD	
Cc1ccc([C@@H](C)NC2CCN(CC(F)F)CC2)c(O)c1C	756504799	YWTFKOQHWZGDOO-CYBMUJFWSA-N	312.404	3.389	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@H](C)c2cc(F)cc(F)c2O)c1	756563009	KXGMJTGNTKLQFY-HWPZZCPQSA-N	323.339	3.063	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](C)Cc2ccncc2)c1O	761207828	TWDRDRXOTMLUBX-LLVKDONJSA-N	306.793	3.170	10	20	DGCD	
Cc1sc(Cl)nc1C(=O)N(C)Cc1ccc(N(C)C)cc1	762838972	WWRYGLGUPUGTRH-UHFFFAOYSA-N	323.849	3.443	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCN(C)CC(F)(F)F)cc1	765928026	KDEMCIZYOMNANZ-ZDUSSCGKSA-N	317.399	3.287	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC2[C@@H](C)CCC[C@@H]2C)c1O	774980899	FAYHCNGBOFQFQU-QWRGUYRKSA-N	308.378	3.223	10	20	DGCD	
Cc1nnc(NCc2ccc(N3CCC(C)CC3)cc2)nc1C	775474523	PPQSMDNOEGYPOC-UHFFFAOYSA-N	311.433	3.337	10	20	DGCD	
Cc1cccc(CN2CCc3c(cnn3-c3ccccc3)C2)c1O	775656436	UQFPSZGJQBKMRX-UHFFFAOYSA-N	319.408	3.445	10	20	DGCD	
Cc1cccc(CN2CC[C@H](N(C)Cc3ccccc3)C2)c1O	775724560	LUUNEQLZYQCSNW-IBGZPJMESA-N	310.441	3.407	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1(c2ccccc2)CCC1	779474534	AOSRJDVZKUYHLI-CSKARUKUSA-N	323.392	3.349	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C(=O)OC)[C@H]2C)cc1F	787420453	HGQURIYVOLZGKA-HIFRSBDPSA-N	322.424	3.055	10	20	DGCD	
CC(C)[C@@H](CNCc1c(O)ccc(Cl)c1F)N1CCCC1	790950213	MWPZGATVSVHHII-CQSZACIVSA-N	314.832	3.395	10	20	DGCD	
COc1ccc(CNC(=O)NCC(C)(C)C2CCCC2)c(O)c1	793019930	WAWNAEYCJKJGFT-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
CC(C)c1n[nH]c(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1	794274470	HGUZBVUIYUVRMH-UHFFFAOYSA-N	315.465	3.405	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c(O)c1	809768624	QTPVDXRMUXWRNT-INIZCTEOSA-N	315.417	3.468	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1	815580108	CFOYSUDHZFXVRD-HRCADAONSA-N	318.461	3.307	10	20	DGCD	
O[C@H](CCc1ccccc1)CNCc1ccc(N2CC=CC2)cc1	819094205	BQWLKCLQXDSNEL-OAQYLSRUSA-N	322.452	3.146	10	20	DGCD	
CC/C(C)=C/C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	822786215	NHJOKWINKBESGV-SZGUKTLCSA-N	302.418	3.057	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1Cl	824769696	XXRCXJJOJYCTHE-YPMHNXCESA-N	323.742	3.242	10	20	DGCD	
CCn1ccnc1[C@H](C)NCc1cc(Br)ccc1O	825005361	IJZRDJLNIQVYPX-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)c1	834898147	JKOUUZXRRGCFBT-PMUMKWKESA-N	315.417	3.005	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCOC(C)(C)C2)c1	834913056	YXQVEDUPUMRXLJ-QWHCGFSZSA-N	321.417	3.035	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)nc1	839920851	VCHAZGWFMBPPGF-OAHLLOKOSA-N	311.429	3.125	10	20	DGCD	
Cc1ccc([C@H](C)NCc2nccc(C(F)(F)F)n2)c(O)c1	840870193	VJWFZZURGQUMLU-JTQLQIEISA-N	311.307	3.360	10	20	DGCD	
CC[C@@H](NC[C@H](CO)c1ccc(F)cc1)c1ccccc1O	840881061	NLUJEESTJQLWQZ-RHSMWYFYSA-N	303.377	3.348	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cccc3cccnc23)cc1	841041538	DAMDGMGRGGMZCX-LJQANCHMSA-N	320.440	3.090	10	20	DGCD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1	841788206	DPELOVWKVPZHPZ-DOTOQJQBSA-N	303.450	3.325	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H]([C@@H]3CCCNC3)C2)c1	843128305	VTJBZUUKOKGGME-HZPDHXFCSA-N	318.461	3.003	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(Cl)cc1O	850501352	AJUGCRBCDVZJAI-YBQGDOTASA-N	315.866	3.386	10	20	DGCD	
CCc1cc(CN(C)C[C@@H]2COCCO2)c(O)c(C(C)(C)C)c1	853558974	LKYYVPQGSNHBBD-MRXNPFEDSA-N	321.461	3.099	10	20	DGCD	
COc1cc(N2[C@H]3CC[C@H]2CC(C)C3)c([N+](=O)[O-])cc1OC	853965241	WPBHRPQGTXWPPU-RYUDHWBXSA-N	306.362	3.379	10	20	DGCD	
CCOc1cncc(/C=C2/SC(=S)N(C3CCC3)C2=O)c1	856718018	IERJHVITBNDLDF-NTUHNPAUSA-N	320.439	3.234	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)c1	863337007	XGFCHVGEDZRQMI-CQSZACIVSA-N	322.449	3.354	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)cncc1F	874232872	XQQFGCWJSRRALQ-UHFFFAOYSA-N	319.355	3.088	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c(O)c1	876939762	KOPRUPGTIZOQKS-ZDUSSCGKSA-N	310.397	3.436	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)ccc2O)c(O)c1OC	895155842	OUNGJPCLBJKBQT-UHFFFAOYSA-N	323.776	3.058	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cn(C(C)C)nn1	925080673	NZKCECMXZOFSFN-AWEZNQCLSA-N	301.438	3.084	10	20	DGCD	
CCc1nc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n[nH]1	1116290725	PEINALLWKRRHDM-UHFFFAOYSA-N	323.400	3.335	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2CCCC[C@H]2C1	1320031951	UMVDVDYBMPFVOJ-MSSSOJMCSA-N	301.386	3.150	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CCO[C@@]2(CCOC2)C1	1320130710	AXVXCIXOBXBGKV-QZNHQWIBSA-N	317.429	3.177	10	20	DGCD	
CC[C@@H](C)CN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1320498117	QYEVYZOUEVLFRV-OAHLLOKOSA-N	307.457	3.055	10	20	DGCD	
O=C(NC1CC1)[C@@H]1CCCN(Cc2ccc3ccccc3c2O)C1	1330432733	RMMSEZCTHAZZBC-MRXNPFEDSA-N	324.424	3.036	10	20	DGCD	
Cc1cc(O)c(CNC(C)(C)c2nocc2C(=O)O)cc1Cl	1607700121	UIYYPVKTSAKQPK-UHFFFAOYSA-N	324.764	3.065	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(C)=O)cs2)c1	106917596	BNAANBLKILZINK-SECBINFHSA-N	319.382	3.156	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccccn1	52396830	YJTJLHNYHSZWET-UHFFFAOYSA-N	309.413	3.344	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C1CC=CC1	175845129	COSKWAGLJQCTRO-UHFFFAOYSA-N	324.218	3.469	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)ccc1C	115281844	JHODXPZIYZPXGH-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
CC[C@H]1COC(C)(C)CN1Cc1cc(F)cc(C(C)=O)c1O	403832689	NTOOTRJVJUETAP-AWEZNQCLSA-N	309.381	3.123	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1O	187668319	SLWAMUIRHJUYQT-YMTOWFKASA-N	311.303	3.194	10	20	DGCD	
COc1ccc(OCCN[C@H](C)c2cc(F)ccc2O)cc1	184903747	QGWUVARLIFMOKZ-GFCCVEGCSA-N	305.349	3.270	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c(O)c1O	184783211	FPRJCETZCQSQOH-IAQYHMDHSA-N	312.369	3.025	10	20	DGCD	
CCN(CC(C)C)C(=O)NCc1ccc2c(c1)CCCN2C	195206889	WVVVZLUGHZGWQD-UHFFFAOYSA-N	303.450	3.257	10	20	DGCD	
COc1cc(F)ccc1NC(=O)NCc1ccc(N(C)C)cc1	46072539	BERWPYISMZUXCT-UHFFFAOYSA-N	317.364	3.222	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2Cc3ccccc3C2)c([N+](=O)[O-])c1	320246183	BOZBECQFXSPILI-SOFGYWHQSA-N	310.309	3.213	10	20	DGCD	
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2C)c(F)cc1F	84650184	POLZNPMYIGFUJQ-UHFFFAOYSA-N	313.325	3.088	10	20	DGCD	
CC[C@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O	320188096	OZGKWRAXXFYHRQ-RISCZKNCSA-N	311.385	3.364	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2sccc2C)c1O	133594367	YNWPWYSUDZLJBI-CHWSQXEVSA-N	317.410	3.191	10	20	DGCD	
Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(O)c1O	192915623	VKXOGOXQQISYID-UHFFFAOYSA-N	312.369	3.259	10	20	DGCD	
Cc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1F	194002038	VGHPYRKZBBXZHJ-LLVKDONJSA-N	318.348	3.298	10	20	DGCD	
Cc1ccccc1S(=O)(=O)Nc1cccc(N2CCCC2)c1	41371898	OKRZPKCBLKQHAP-UHFFFAOYSA-N	316.426	3.396	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1CCOc2ccc(Cl)cc21	255904371	TWAHLNOFFCSXKD-UTCJRWHESA-N	300.745	3.174	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccco1	268734710	PKJGMVDUYGJVQC-UHFFFAOYSA-N	312.413	3.471	10	20	DGCD	
C[C@]1(NCc2ccc(OCc3ccccc3)cc2O)CCOC1	273191999	PZVMHDBCASFGKW-IBGZPJMESA-N	313.397	3.240	10	20	DGCD	
CC[C@@H](NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1O	271713670	OTTVJHXODNGPFM-RHSMWYFYSA-N	319.376	3.012	10	20	DGCD	
C[C@@H](CCN(C)C)N[C@H](C)c1ccc(Br)cc1O	273560503	IARBIMPISYMTLC-WDEREUQCSA-N	315.255	3.146	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@@]3(C)[C@H](C2)C3(Cl)Cl)c1	284267084	GRTAHIVDFASVKA-KBPBESRZSA-N	316.228	3.417	10	20	DGCD	
COc1cc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c(F)cn1	287561174	GFCHGJJPQCUBEH-NSHDSACASA-N	321.371	3.285	10	20	DGCD	
CC[C@@H](NCCCNC(=O)C1CCC1)c1ccc(C)cc1O	280151542	QFTWDFZSIYGIBR-MRXNPFEDSA-N	304.434	3.048	10	20	DGCD	
CC(C)CN1CCC[C@H](CN[C@H]2CCc3cccc(O)c32)C1	296954268	QWOXWCUVQFUNJB-WBVHZDCISA-N	302.462	3.337	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2nnc(C(C)C)[nH]2)cc1	296421196	LIZWKEOIUPEBSE-ZDUSSCGKSA-N	301.438	3.235	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC12CCCCC2	476989081	WXIBJASUKYZLFS-HNNXBMFYSA-N	314.429	3.448	10	20	DGCD	
Cc1nn(C)c(C)c1NC(=O)c1cc(C)n(-c2ccccn2)c1C	298349861	SYYMMFUJPWLBIV-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc(C)n1	817590421	WTEJJPRKJJIYKA-LBPRGKRZSA-N	301.346	3.163	10	20	DGCD	
Cc1noc(C)c1CSCC(=O)N[C@H](C)c1ccccc1O	827922869	BJBOWWVQTJKSCQ-SNVBAGLBSA-N	320.414	3.108	10	20	DGCD	
C[C@@H](NC(=O)C[C@H](c1ccccc1)N(C)C)c1ccccc1O	827947026	YMFABPCRPNGCKI-RHSMWYFYSA-N	312.413	3.262	10	20	DGCD	
Cc1ccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nc1	826530384	FKCVXLUOHLKAHJ-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
CCOC(=O)[C@@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1	725919210	QKRHKJNZWGNLBW-CQSZACIVSA-N	315.369	3.203	10	20	DGCD	
COCc1csc(CN2CCOc3cc(N(C)C)ccc32)c1	825520177	VLNVSPUIHQXSFF-UHFFFAOYSA-N	318.442	3.360	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1C[C@H]2CCCN2c2ccccc21	492524839	ABNSZEAEKYGMME-KBOKABMXSA-N	319.408	3.419	10	20	DGCD	
Cc1cccc(CC2CN(Cc3cc4c(cc3O)OCO4)C2)c1	839131751	MYBLXFGMQKYCSF-UHFFFAOYSA-N	311.381	3.104	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	838478919	NOAUBGKNMGBAHJ-XOKHGSTOSA-N	301.434	3.049	10	20	DGCD	
C/C(=C/C(=O)N1CCCc2cc(C)cc(C)c21)c1cnccn1	839296310	KHROGCLKRSCHAR-KAMYIIQDSA-N	307.397	3.476	10	20	DGCD	
COc1cccc(NC(=S)NNc2c(F)cccc2F)c1	735625053	DIDKPUBIXPNAPU-UHFFFAOYSA-N	309.341	3.287	10	20	DGCD	
COc1cccc(C[C@H](C)NCc2cc(Cl)ccc2O)n1	846055803	NZYLBFZUJFBSQZ-NSHDSACASA-N	306.793	3.170	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(CCO)CC(C)(C)C)c1O	748049588	JVSAATHWVQDOMD-UHFFFAOYSA-N	313.825	3.089	10	20	DGCD	
N=C(NCc1cc(Cl)cc(Cl)c1O)NCC1CCC1	849028399	JUTQGGMRQWALBW-UHFFFAOYSA-N	302.205	3.113	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]1C(C)C	840478697	BJAGFOKZJSWPIK-YJBOKZPZSA-N	317.477	3.432	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccnc(Cl)c2F)c1	845971173	HSSKRKUDSLHQBQ-VIFPVBQESA-N	310.756	3.439	10	20	DGCD	
COc1cccc([C@@H](C)NCC(C)(C)c2ccccn2)c1O	846169677	JYIQERMNMIFKCA-CYBMUJFWSA-N	300.402	3.424	10	20	DGCD	
Cc1ccc([C@H](C)NCc2cn(-c3ccccc3)nn2)c(O)c1C	756741489	FTJNUSDHKUXAEY-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
COc1cc(CNCCCC2(O)CCC2)c(O)c(C(C)(C)C)c1	850329065	HRCVXWPOHIKQPH-UHFFFAOYSA-N	321.461	3.483	10	20	DGCD	
C[C@H](NC[C@]1(C)CCOC1)c1ccc(Br)cc1O	756573353	JDKPPZKUIRXWIP-HZMBPMFUSA-N	314.223	3.232	10	20	DGCD	
CCOc1ccc(O)c(CNCc2cc(OC)ccc2F)c1	856801228	MOZARONLHQRXED-UHFFFAOYSA-N	305.349	3.228	10	20	DGCD	
CC[C@@H](C)[C@H](NC(=O)NCc1cc(C)ccc1O)C(F)(F)F	861021521	DJUKOKLAVVZGRK-MFKMUULPSA-N	318.339	3.477	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1C(=O)O	863740374	UTBUCKBZCIGREO-CRAIPNDOSA-N	316.445	3.220	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@H]2[C@H]2CCCOC2)cc1F	862398369	GQRWNAQOXNMCMS-GUYCJALGSA-N	324.415	3.422	10	20	DGCD	
COC(=O)CN(Cc1cc(-c2ccccc2)ccc1O)C(C)C	768687314	MFKUSVUVLSIUQI-UHFFFAOYSA-N	313.397	3.443	10	20	DGCD	
C[C@@H](N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1)C1(C)CC1	1116449156	GEPCVGDSSNTUKC-OAHLLOKOSA-N	319.468	3.198	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1OC	776174551	FKFMGALWHBEZLI-VNHYZAJKSA-N	305.418	3.468	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@H](CO)CC2CCOCC2)c(O)c1	1117749721	AEIGXYVSJGKAAH-RDJZCZTQSA-N	321.461	3.085	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H]2CN2CCCC2)cc1	773747490	GVWNBKZYBJIAOK-IBGZPJMESA-N	301.478	3.203	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCn2nc(C3CC3)cc2C1	896939600	KNVIHCRJQZPMGC-UHFFFAOYSA-N	303.793	3.135	10	20	DGCD	
CC(C)COC(=O)[C@H](C)NCc1cc(Cl)cc(Cl)c1O	789581808	YEKGDCWDTQWWKC-VIFPVBQESA-N	320.216	3.376	10	20	DGCD	
COc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)c(C)c1	899260439	GZWKWOQHSXBZAM-MDWZMJQESA-N	305.424	3.367	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[C@H]2C)c1	798510118	KNBMVUFJFWQBLM-AGIUHOORSA-N	306.406	3.197	10	20	DGCD	
CCc1ccc([C@H](O)CN[C@@H](C)c2cc(F)ccc2O)cc1	797020634	WMFNZMQCOSMQSU-KPZWWZAWSA-N	303.377	3.478	10	20	DGCD	
COc1ccc(CN[C@H]2CCN(C(=O)CC(C)C)[C@@H]2C)cc1C	985899170	NONINSWWQGXWJZ-WBVHZDCISA-N	318.461	3.129	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@H](C)C(C)(C)C)cc1C	1161006148	FKWJNZGOGCQUOO-HNNXBMFYSA-N	320.477	3.282	10	20	DGCD	
CC(C)[C@@H](C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1	1548791610	GWVLMBFZNMCHCQ-MRXNPFEDSA-N	317.360	3.293	10	20	DGCD	
COc1cc(CN[C@H]2CCCC[C@@H]2CN)c(O)c(C(C)(C)C)c1	1579152677	AAJFETRPQHBMJS-DYVFJYSZSA-N	320.477	3.305	10	20	DGCD	
COc1ccc(N(C)[C@@H](C)c2ncc(C(=O)O)s2)cc1F	1599583846	FFVQHNSYSBCITA-QMMMGPOBSA-N	310.350	3.186	10	20	DGCD	
Cc1noc(C(C)C)c1CN(C)c1ccc(OCC(=O)O)cc1	1777558493	VRRZQETXACOUKE-UHFFFAOYSA-N	318.373	3.206	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cc(F)c(F)cc2F)cc1	105047004	UHPZPQFBAHBFSF-UHFFFAOYSA-N	323.318	3.492	10	20	DGCD	
COc1cccc([C@H](CNCc2cc(C)ccc2O)N(C)C)c1	103854798	GHQLHWONVAWIMN-SFHVURJKSA-N	314.429	3.102	10	20	DGCD	
O=C(NCc1ccccc1)NCc1c(O)ccc2c1CCCC2	174476435	DMSALEZCBDWVRZ-UHFFFAOYSA-N	310.397	3.270	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)OCC2CC2)cc1F	66841144	WDYPZKXOBZUJAU-ZDUSSCGKSA-N	322.424	3.103	10	20	DGCD	
O=C1/C(=C/c2ccccc2F)SC(=S)N1Cc1ccon1	178018114	PBDNWTMUIZDKAH-GHXNOFRVSA-N	320.370	3.215	10	20	DGCD	
CCOC(=O)N[C@@H](CN[C@@H](C)c1ccccc1O)CC(C)C	183401332	FXDTXTDKCHUVSC-UONOGXRCSA-N	308.422	3.204	10	20	DGCD	
CC[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O	186134771	OLDZWANXHZWIQG-PBHICJAKSA-N	310.397	3.238	10	20	DGCD	
COc1cccc(CNC(=O)NC2CCC(C(C)C)CC2)c1O	121260252	LOHUIQDDPFTTJD-UHFFFAOYSA-N	320.433	3.415	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1CCOc2cc(F)ccc21	186524391	NPISTVSKKAVDFO-SNAWJCMRSA-N	304.346	3.029	10	20	DGCD	
C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1O	187700199	NSOTXMGQQLMIHF-SNVBAGLBSA-N	322.311	3.472	10	20	DGCD	
COC(CN(C)c1ccc(OCc2ccccc2)cc1)OC	189645177	VLWWFVODKBXIEI-UHFFFAOYSA-N	301.386	3.321	10	20	DGCD	
C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(Cl)c(Cl)c1O	185831024	HEYRDFHRTPGKHM-LPEHRKFASA-N	302.201	3.287	10	20	DGCD	
O=C(NCc1ccccc1O)C1CCC(C(F)(F)F)CC1	228424880	XKQHWZFNKPIYER-UHFFFAOYSA-N	301.308	3.377	10	20	DGCD	
Cn1cc(CNCc2c(O)cccc2Cl)c(C(F)(F)F)n1	130714117	VQJIXYABNAUHEF-UHFFFAOYSA-N	319.714	3.088	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2ccc(C)cc2)c(OC)c1	131651463	YFJRQKYJMASANW-UHFFFAOYSA-N	314.385	3.087	10	20	DGCD	
C[C@H](NC(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1	145443634	UXXYPEUYQWITKM-HNNXBMFYSA-N	310.397	3.014	10	20	DGCD	
CCOc1ccc(NCc2ccc(N(C)C)cc2)cc1CO	237023729	PMOJVCPEKGEYHB-UHFFFAOYSA-N	300.402	3.256	10	20	DGCD	
COc1cccc(CNc2cc3c(cc2Cl)OCCO3)c1O	237430895	QTDYFURYWQUJLR-UHFFFAOYSA-N	321.760	3.438	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CCC[C@H]1C1CCC1	92780975	GLTSBGHMGQDNPD-IBGZPJMESA-N	300.446	3.288	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccnc1C1CC1	356033513	GPRFVXUIUJAHDY-UHFFFAOYSA-N	323.396	3.064	10	20	DGCD	
Cc1c(CNc2ccc3c(n2)CCCC3=O)n(C)c2ccccc12	450491012	NGFNTWQKHFVJSG-UHFFFAOYSA-N	319.408	4.013	10	20	DGCD	
C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cc2c(cc1O)CCCC2	273383970	IYNAUPNGFKGXTI-BFUOFWGJSA-N	324.424	3.148	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(SC)CCC2)c1	279027855	IECXRJOAHFRSJE-NSHDSACASA-N	309.431	3.115	10	20	DGCD	
CCOc1cccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1O	290369889	ANTWTWCXALTQQI-CQSZACIVSA-N	321.808	3.088	10	20	DGCD	
CSCC1CCC(NCc2cc([N+](=O)[O-])ccc2O)CC1	295217391	QNZKVFRLBLLZFY-UHFFFAOYSA-N	310.419	3.312	10	20	DGCD	
C[C@H](NCCN(C)Cc1ccccc1)c1cc(F)ccc1O	185111589	JFPWDJARXYHLCA-AWEZNQCLSA-N	302.393	3.314	10	20	DGCD	
CCC(CC)NC(=O)c1csc(Cc2ccc(N)cc2)n1	817903384	ASTZEPUKYDCLEX-UHFFFAOYSA-N	303.431	3.235	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3C[C@H]4CC[C@H]3C4)C2)cc1	818220974	JWNIXIAWMIULCH-RCJHGTSTSA-N	300.446	3.300	10	20	DGCD	
CC[C@H](NCC[C@@H]1CCNC1)c1ccc(C(F)(F)F)cc1O	817955402	XPOFPIHWZMRAGO-FZMZJTMJSA-N	316.367	3.451	10	20	DGCD	
C[C@H]1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CC1	819169255	YWKBTJDGOMKFSU-DZGCQCFKSA-N	316.401	3.125	10	20	DGCD	
CCOc1cccc(CNCc2c(F)cc(F)cc2F)c1O	815151958	FFHNDSVEBTUSAN-UHFFFAOYSA-N	311.303	3.498	10	20	DGCD	
COc1ccc(O)c(CNCc2cc(Cl)c(F)cc2O)c1	816550454	RMZSHDGBSSLSOO-UHFFFAOYSA-N	311.740	3.189	10	20	DGCD	
CCN(CC)Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)o1	827930134	CFBVVZMAEBFQJX-CYBMUJFWSA-N	316.401	3.318	10	20	DGCD	
Cc1cc(O)c(CN(C)CCCNC(=O)C2CCC2)cc1Cl	825699620	WFCMSHXVNCTNPF-UHFFFAOYSA-N	324.852	3.092	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)ccc2OC)c1	729537132	ZBCHGOYQOHQOLU-JTQLQIEISA-N	319.332	3.040	10	20	DGCD	
COc1cc(CN(C)Cc2cnc[nH]2)c(O)c(C(C)(C)C)c1	826768821	FTRQFAZCMKIZLZ-UHFFFAOYSA-N	303.406	3.053	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1CCS[C@@H]1C)c1ccc(N(C)C)cc1	826532603	WJIMSYFMCWUCHN-YWPYICTPSA-N	307.463	3.007	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2nn(C)cc2Cl)c2c(O)ccc(F)c21	834882142	GAQLLRLDYPISOK-LDYMZIIASA-N	309.772	3.256	10	20	DGCD	
O=C(OCc1cc(-c2ccccc2)on1)c1cc(O)cs1	731909662	IAAOWCWLJVWHGV-UHFFFAOYSA-N	301.323	3.466	10	20	DGCD	
CCc1nc(CN(Cc2ccccc2O)C2CCCC2)no1	732205000	XCGMUZWNCVUNDT-UHFFFAOYSA-N	301.390	3.282	10	20	DGCD	
CCN(CC)c1ccc(CNC(=N)NCCc2ccccc2)cc1	849071347	KABUBHAWOGACRD-UHFFFAOYSA-N	324.472	3.389	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2ccccc2NC1=O	848922094	LYJMTGAWYCAWMQ-LJQANCHMSA-N	323.440	3.104	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCSC2(CCOCC2)C1	840936701	CSNPNOCTPRYOCL-UHFFFAOYSA-N	320.502	3.159	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]([C@@H]3CCCNC3)C2)cc1F	843127459	REZKLNYHIVVWPN-IAGOWNOFSA-N	319.468	3.103	10	20	DGCD	
Cc1cccc(O)c1C(=O)NCc1ccc(N2CCCC2)cc1	858452625	NFTCTXDXGLTGEY-UHFFFAOYSA-N	310.397	3.231	10	20	DGCD	
C[C@@H]1C[C@H]1CN[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	754119900	FAJUYNPOXRDSOP-WWGRRREGSA-N	308.853	3.256	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](C)CN2CCC(C)CC2)c1O	850543564	MHCVOBAGGMERJY-HUUCEWRRSA-N	306.450	3.172	10	20	DGCD	
CC(=O)Nc1cccc2c1CCN(Cc1c(C)cccc1O)C2	876630372	XSTOHPRLVMQQBR-UHFFFAOYSA-N	310.397	3.217	10	20	DGCD	
COc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1F	772995423	BLMIGDLBQUTGML-LBPRGKRZSA-N	316.376	3.391	10	20	DGCD	
CCN(Cc1ccc(N(CC)CC)cc1)C[C@H](O)C(F)(F)F	779193417	QTEDGFMSAIPLAM-HNNXBMFYSA-N	318.383	3.278	10	20	DGCD	
Nc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)OC23CCC3)cc1	884008991	IDWIRFXVRDFLSF-INIZCTEOSA-N	322.364	3.084	10	20	DGCD	
CC[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1	774471179	KUPJGKCYAWMLMP-QZTJIDSGSA-N	318.461	3.479	10	20	DGCD	
C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	778917832	JOOZLQOFZIATJX-LBPRGKRZSA-N	317.410	3.142	10	20	DGCD	
CSc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccn1	773027371	VFCDCANVWIEDTI-LBPRGKRZSA-N	315.442	3.361	10	20	DGCD	
C[C@H](NCC[C@@](C)(O)c1ccccc1)c1c(O)cccc1F	886594077	FRXQXWLICOLHKX-SCLBCKFNSA-N	303.377	3.480	10	20	DGCD	
COc1ccc(CNC(=O)NCCC2CCCCC2)c(O)c1	792830823	CGAGLXPUIVYTAR-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
COc1ccc(CNC(=O)NC2CCCCCCC2)c(O)c1	792776742	AIAWOVXRQSEYNK-UHFFFAOYSA-N	306.406	3.313	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNc1cnn(-c2ccccn2)c1	790980533	AUBAHGYNTCBJSU-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
COc1ccc(CNc2cc(OC)c([N+](=O)[O-])cc2F)c(O)c1	795291997	JDZKEGFEWYSRAO-UHFFFAOYSA-N	322.292	3.069	10	20	DGCD	
CC1(C(=O)NCCC2=CCN(c3cccc(F)n3)CC2)CCC1	1089856346	ZQQDQLJWJYILIS-UHFFFAOYSA-N	317.408	3.054	10	20	DGCD	
COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(Cc1cc(Cl)c(C)cc1O)C2	1261677667	YFNNMPUBTDQTHF-UXIGCNINSA-N	323.820	3.128	10	20	DGCD	
Cc1cc(C(F)(F)F)nc(Sc2ncc(C(=O)O)s2)n1	1607611239	FIDHKVYZQFVFBO-UHFFFAOYSA-N	321.305	3.110	10	20	DGCD	
Nc1ccc(NC(=O)N[C@@H](Cn2ccnc2)c2ccccc2)cc1	1580449679	RLUGLVGYHADNMB-KRWDZBQOSA-N	321.384	3.028	10	20	DGCD	
CC/C=C(/C)C(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1	1752619701	MCPMWMRPCAZLRG-KDRFHUQXSA-N	316.445	3.097	10	20	DGCD	
CCN1CCc2cc(CN[C@H]3CCC[C@@H](C(=O)O)CC3)ccc21	1776877513	PANPZQQHDFIUKP-WBVHZDCISA-N	316.445	3.192	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CC(C)(F)F)C(=O)O)c(C)c1	1776857130	PAUFFRMLMWRRPL-AWEZNQCLSA-N	314.376	3.039	10	20	DGCD	
COc1ccc(N2CCN(C(=O)c3cccc(C)c3C)CC2)cc1	5392539	JMMRBCGGNLVOJA-UHFFFAOYSA-N	324.424	3.274	10	20	DGCD	
COc1cc(O)c(CN2CCS[C@@H]3CCCC[C@@H]32)cc1OC	160383223	IVZFWFNBTRBSSD-SUMWQHHRSA-N	323.458	3.269	10	20	DGCD	
C[C@@H](Cc1ccncc1)NCc1c(O)cccc1Br	1118855145	AKUQCDVVVQVFNS-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
Cc1cnc(NC(=O)NCc2ccc(N3CCCC3)cc2)s1	43384181	VTAYZUCIZUJCLM-UHFFFAOYSA-N	316.430	3.373	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccs1	53251330	XAQDHFIPPCWIPX-UHFFFAOYSA-N	303.431	3.156	10	20	DGCD	
COc1ccc(N2CCCN(Cc3scnc3C)CC2)cc1	92380839	QSJYISRNTPFKMZ-UHFFFAOYSA-N	317.458	3.172	10	20	DGCD	
COCCN(Cc1ccc(N(C)C)cc1)Cc1ccc(C)o1	93707117	ZJTNBGUZZRDXSP-UHFFFAOYSA-N	302.418	3.303	10	20	DGCD	
Oc1cccc(Cl)c1CNCCc1ccc2c(c1)OCO2	113315099	UVHLVMJJYOQEEU-UHFFFAOYSA-N	305.761	3.107	10	20	DGCD	
CN(C)c1ccc(CN[C@H](c2ccccc2)c2ncc[nH]2)cc1	125582208	FSKSAKNESNZZBC-GOSISDBHSA-N	306.413	3.355	10	20	DGCD	
CC[C@H](NCCOCC(F)(F)F)c1ccc(N(C)C)cc1	159356759	CLUSTXGEVYZXPA-AWEZNQCLSA-N	304.356	3.372	10	20	DGCD	
COc1ccc(NC2=NN=C(c3cccn3C)CS2)cc1F	171118975	WRFOSLIEQDCYKO-UHFFFAOYSA-N	318.377	3.092	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1cccs1)C1CC1	180631158	UXHHKKUICUKWEM-XBXARRHUSA-N	315.394	3.364	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(OC(C)=O)cc2)c1	182471725	FLLQCEQVDLKRGZ-GFCCVEGCSA-N	315.369	3.177	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)CC(C)C)CC2)cc1	185257385	DVXYICNVBLXFII-MRXNPFEDSA-N	318.461	3.416	10	20	DGCD	
Cn1ccnc1[C@@H](NCc1ccc(N2CCCC2)cc1)C1CC1	187760571	LPLOIFAUGPGVDV-SFHVURJKSA-N	310.445	3.261	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](C)NC(=O)OC(C)(C)C)c(O)c1	192680197	HDAINPULHMFXTC-STQMWFEESA-N	308.422	3.264	10	20	DGCD	
C[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C[C@H]1n1ccnc1	246838478	ZRJPDYFRFXXKFM-KBXCAEBGSA-N	311.429	3.161	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)C[C@H]1C	270658277	SJUUBVDHHHMRBY-RDTXWAMCSA-N	316.445	3.106	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CCOC)CCC1	271015917	JPDHXPWXGKOCDK-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCO[C@H](C)C1	271584182	RKXHGEVJINUWCG-CABCVRRESA-N	320.433	3.129	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@@H](c2noc(C3CC3)n2)C1	272462640	QVCFHYSKTQOKRM-GFCCVEGCSA-N	317.364	3.171	10	20	DGCD	
COCC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccco1	273409200	HMLVJEMAQVGPDV-RISCZKNCSA-N	320.345	3.322	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C)cc2O)[C@@]12CCCO2	274146207	DSXYHJBVZXATLG-RNJTYBCJSA-N	305.418	3.078	10	20	DGCD	
CC[C@@H](NC[C@H](O)c1cccc(OC)c1)c1ccc(C)cc1O	280126264	ORETTXZTZBXNQP-MJGOQNOKSA-N	315.413	3.484	10	20	DGCD	
CC[C@@H](N[C@@H](CO)CCOC)c1cc(Cl)cc(Cl)c1O	286967848	IHYAUCCPKQEJGZ-ZWNOBZJWSA-N	322.232	3.137	10	20	DGCD	
CC[C@@H](NCCSCCCO)c1cccc(Cl)c1O	287834288	VVJXBWACIIYPSL-CYBMUJFWSA-N	303.855	3.202	10	20	DGCD	
OC[C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@H]1C(F)(F)F	289236914	DLWJZXKUAABADK-GXSJLCMTSA-N	323.742	3.038	10	20	DGCD	
OC[C@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H]1C(F)(F)F	289236916	DLWJZXKUAABADK-KOLCDFICSA-N	323.742	3.038	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](c2nnc[nH]2)C2CCCCC2)cc1	292900988	DNLWDALQIKFURF-QGZVFWFLSA-N	313.449	3.282	10	20	DGCD	
COCc1cc(CN[C@@H]2CCc3cccc(O)c32)ccc1F	297573420	GUMAWZJVFLMZIB-MRXNPFEDSA-N	301.361	3.455	10	20	DGCD	
Cc1cnc(NCc2ccc(N3CCC(CO)CC3)cc2)s1	302121329	UJUNNEOHQOHRRQ-UHFFFAOYSA-N	317.458	3.272	10	20	DGCD	
CCOC[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O	313461571	OOUDYYFKFZXXTP-CQSZACIVSA-N	313.825	3.445	10	20	DGCD	
CC(C)CN(c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])C1CC1	314765203	ZPSZVRMGMILPNT-YWEYNIOJSA-N	304.346	3.317	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1CCOc2ccc(F)cc21	492647475	JLYJLSPYDZPOEG-PLNGDYQASA-N	304.346	3.029	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCSCC(F)(F)F)c1	698957533	OLKCGDWSJPEWOY-VIFPVBQESA-N	309.353	3.347	10	20	DGCD	
CC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	734687484	DENNPEOACPPUGI-HNNXBMFYSA-N	303.450	3.393	10	20	DGCD	
CCCCOC(=O)[C@H](C)N(CC)c1ccc(OC)c(OC)c1	741783736	OBKOQLAGERGFAW-ZDUSSCGKSA-N	309.406	3.262	10	20	DGCD	
CSc1ccc(F)cc1CNC(=O)NCc1ccccc1O	745789355	JDERIMZIJCYATB-UHFFFAOYSA-N	320.389	3.253	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)sn1	749230506	ANPDMYBYPXIWRY-UHFFFAOYSA-N	316.430	3.373	10	20	DGCD	
S=C(NNc1ncccn1)Nc1ccccc1-c1ccccc1	750986555	KAAJQJWJASNAFT-UHFFFAOYSA-N	321.409	3.457	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H](c3ccc(F)cc3)C1)OCO2	755928541	YGXHUAAJYSITJD-CYBMUJFWSA-N	315.344	3.250	10	20	DGCD	
C[C@@]1(C(=O)O)CCCC[C@H]1NCc1c(O)ccc(Cl)c1F	756388476	ORBQYWHVMQVXSF-IUODEOHRSA-N	315.772	3.308	10	20	DGCD	
C[C@H](NC[C@@H](C)CN1CCCCC1)c1cc(F)cc(F)c1O	756435031	SXCLZDLLVZQCQL-OLZOCXBDSA-N	312.404	3.443	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc(F)cc(F)c2O)cc1O	756523244	BFYXUBLFGULZKD-SECBINFHSA-N	309.312	3.235	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(C)c(C)c1O	756710670	DWZKPKUKVSZVLT-YOEHRIQHSA-N	315.413	3.402	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCN(CC)CC2)c(F)c1)C1CC1	765849728	PEHCEDJOVGTEJW-SFHVURJKSA-N	319.468	3.246	10	20	DGCD	
CCN(CC)C[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	768466747	WAGCSHAJXUTMCU-MRXNPFEDSA-N	316.489	3.435	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1	769148839	TZAABFBNTMGVMA-CQSZACIVSA-N	320.433	3.142	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)NC1CCCCC1	772798101	OEQLWEPCEDZMCV-OAHLLOKOSA-N	318.461	3.442	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1	773017642	HYNBYIFNPYZVEU-KUHUBIRLSA-N	324.424	3.244	10	20	DGCD	
CC[C@H](CSC)NC(=O)NCc1ccc(N(CC)CC)cc1	774681637	AIAYLMLQZFWZPQ-OAHLLOKOSA-N	323.506	3.474	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1Cc1ccc(N2CCN(C)CC2)cc1	775998183	DSLQLOWRMGPSCY-VQIMIIECSA-N	301.478	3.059	10	20	DGCD	
C[C@@H](NC(=O)NC12CCC(CC1)C2)c1ccc(N(C)C)cc1	776239900	SCSWLNLXGLEFSL-WRSVWVKZSA-N	301.434	3.446	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@@H](Cc3ccccc3)C2)cc1C	776291347	BQKRVJQJWLKGFX-IBGZPJMESA-N	311.425	3.453	10	20	DGCD	
CC/C(C)=C(/C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	779874634	RJLDWTLTRCEYRW-FCFCDCELSA-N	316.445	3.447	10	20	DGCD	
CN1CCCC(C)(C)[C@@H]1CNCc1cc(Cl)cc(F)c1O	790928583	VVYKXYOKFFKWOD-AWEZNQCLSA-N	314.832	3.395	10	20	DGCD	
CC[C@H](Nc1cccc(C(N)=O)c1OC)c1ccc(C)cc1O	794813539	ALDXVZAKYXSQMY-AWEZNQCLSA-N	314.385	3.371	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2ccsc2)c1O	802654210	FFTZVCNCYRMSOL-SECBINFHSA-N	308.359	3.221	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]2CCC[C@@H](C2)C1	806822410	ZNHYONPXAUOPFI-HOTGVXAUSA-N	315.461	3.393	10	20	DGCD	
Cn1ncc(NCc2cc([N+](=O)[O-])ccc2O)c1-c1ccccc1	808423722	IMUZYEBEGHYWML-UHFFFAOYSA-N	324.340	3.313	10	20	DGCD	
CN1CC[C@H]2[C@H](CCCN2Cc2c(O)ccc(Cl)c2F)C1	809767491	MTDJHSJZKAGEMF-RISCZKNCSA-N	312.816	3.101	10	20	DGCD	
CCCCN(C)C[C@@H](C)NCc1c(O)ccc(Cl)c1F	810163375	RSISFGRFHRFYOR-LLVKDONJSA-N	302.821	3.395	10	20	DGCD	
CC[C@@H](NC[C@@H](C)CCO)c1ccc(C(F)(F)F)cc1O	810220906	GTBKOPDSTQEWLE-GXFFZTMASA-N	305.340	3.470	10	20	DGCD	
COc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)cc1O	814185647	MDWBXIQQSZLLFX-JYRVWZFOSA-N	321.423	3.155	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNc1cnccc1-n1cccn1	816560117	FCKNOAIVHKFKCU-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cn1	817942623	QBMQQAVLEGNQBM-BLLLJJGKSA-N	318.852	3.152	10	20	DGCD	
C[C@H](N[C@H]1CC[C@H](CN)C1)c1ccc(N2CCCCC2)cc1	817982474	SSPHEXLSWUWDTO-BQFCYCMXSA-N	301.478	3.455	10	20	DGCD	
Cc1ccccc1C(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1	818336493	AKNWJKGAYRNIKR-LUAWRHEFSA-N	311.381	3.471	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](N3CCCC3)[C@@H]2C)cc1Cl	825900797	RNZLFCJNTSEYCQ-XJKSGUPXSA-N	308.853	3.413	10	20	DGCD	
COCC1(C)CN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1	826112724	AJYJFCLSOMQOQA-UHFFFAOYSA-N	307.434	3.167	10	20	DGCD	
C[C@@H]1CCC[C@H](CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1	832278452	CFSPTFWGOMJOQW-VKJFTORMSA-N	317.477	3.085	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1OCCN(C)c1ccc(OCC(=O)O)cc1	833612303	NUNXDJUEHVHJME-PBHICJAKSA-N	321.417	3.182	10	20	DGCD	
COC[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	838558888	HQXBWCIHLRHLDL-PBHICJAKSA-N	319.449	3.024	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](OC(C)C)C1	838747334	IZTLRRWIDMXEFN-IYBDPMFKSA-N	320.433	3.270	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H](C)C1	840479627	PWJSIIUKKRSIMO-UKRRQHHQSA-N	303.450	3.043	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cnn(C)c1Cl	840975217	DWAYVNPHBSOQIW-CYBMUJFWSA-N	320.868	3.169	10	20	DGCD	
O=C(O)CC[C@H]1CCCC[C@@H]1NCc1ccc2c(c1)CCO2	841812650	OTUGPZNBOKIHML-ZBFHGGJFSA-N	303.402	3.135	10	20	DGCD	
CC[C@@H](NCC[C@]1(O)CCCOC1)c1cccc(Cl)c1O	846210741	CWNBCNLBBPQUAF-GDBMZVCRSA-N	313.825	3.018	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCN3CCCC[C@H]23)c1	848568355	GORKFSLGNMHBTB-IAOVAPTHSA-N	304.434	3.068	10	20	DGCD	
CCc1cccc(CNCc2cccc(N3CCCC3=O)c2)c1O	848893118	PZFIFTGRVZQONC-UHFFFAOYSA-N	324.424	3.371	10	20	DGCD	
CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2ccc(O)cc2)c1	849305477	NAAWKYRXXCYPLL-GFCCVEGCSA-N	321.398	3.370	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCCC[C@@H]2c2cc[nH]n2)cc1F	862363125	JJLCCWMAMXXFAA-MRXNPFEDSA-N	320.387	3.481	10	20	DGCD	
CCSc1cccnc1C(=O)NCc1cc(C)ccc1O	862755324	QRCTUPCFIHXMMR-UHFFFAOYSA-N	302.399	3.138	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)o1	866478231	IGKDWANITFSGSR-AWEZNQCLSA-N	318.392	3.415	10	20	DGCD	
CCCCN(Cc1ccc(N2CCC(O)CC2)cc1)C1CC1	876575575	KAYPYKSQNWORQP-UHFFFAOYSA-N	302.462	3.412	10	20	DGCD	
Cc1ccc(CNc2ccc(N3CCOCC3)c(F)c2)c(O)c1	876859925	OTHAZHTVENISJB-UHFFFAOYSA-N	316.376	3.288	10	20	DGCD	
COc1ccc(CCNCc2c(C)cccc2O)cc1OC	876893498	LJNNTHGAIMDQGN-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cnc(C2CC2)o1	878219317	JHFAPJUJZXQLTA-UHFFFAOYSA-N	311.385	3.082	10	20	DGCD	
COc1ccc(CN2CCCC[C@@H](SC)C2)c(O)c1OC	892233412	QMMDZSBRCKJWMQ-CYBMUJFWSA-N	311.447	3.127	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)Cc2ccc(O)cc2)c1O	894241072	GHQSRADARZVBBU-ZDUSSCGKSA-N	301.386	3.136	10	20	DGCD	
Oc1ccc(Cl)cc1CNCc1cnn(CC2CCC2)c1	895156123	SRQTZAWCSMTYPD-UHFFFAOYSA-N	305.809	3.332	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](N)CC(F)F	903874007	QKLCRAQNYQUVKV-HNNXBMFYSA-N	311.420	3.091	10	20	DGCD	
Cc1ccc(CCCC(=O)NCc2ccc(O)cc2O)s1	910950547	HJUHURACZFTUDY-UHFFFAOYSA-N	305.399	3.107	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](c2ccccn2)C2CC2)c1O	932380836	WYURIBNFJKTMMK-KRWDZBQOSA-N	314.360	3.370	10	20	DGCD	
COC(=O)N1CCC(N[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)CC1	1116820188	UOIORDKLXKZGRH-TZMCWYRMSA-N	318.417	3.069	10	20	DGCD	
CC[C@@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	1262605537	CXJWTAQNCQVXOS-DLBZAZTESA-N	322.424	3.008	10	20	DGCD	
Nc1ccc(CNCCc2ccccc2OC(F)(F)F)cc1	1336118625	YWBXPJDPWBKILL-UHFFFAOYSA-N	310.319	3.500	10	20	DGCD	
Nc1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)cc1	1352788638	FTZFRPKKEGZGME-HXUWFJFHSA-N	310.441	3.493	10	20	DGCD	
C[C@H](Oc1ccccc1CN[C@H](C)c1ccccc1O)C(=O)O	1593647929	DWIKOTIZDVHQGA-OLZOCXBDSA-N	315.369	3.095	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1cc(C(=O)O)ccc1O	1610574813	HZFBHKFJSAUEDR-VHSXEESVSA-N	318.373	3.150	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ncoc1-c1ccccc1	112114403	QAOUUCGOZSHQTG-UHFFFAOYSA-N	308.337	3.319	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C)cc2)c1	103503344	AGVKNUQMCAQSKN-ZDUSSCGKSA-N	314.385	3.270	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccccc1[N+](=O)[O-]	175030875	AAGIRELZSKASBL-UHFFFAOYSA-N	313.357	3.060	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1	115280622	LUUUEUQAUPYDMH-UHFFFAOYSA-N	310.397	3.194	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H](OC(C)C)C2)c1O	404584948	SWKITOXGDODPJC-CQSZACIVSA-N	313.825	3.444	10	20	DGCD	
O=C(C1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	71797626	FGAJMZHRFIQLED-MRXNPFEDSA-N	303.402	3.090	10	20	DGCD	
C[C@@H](NCC[S@](=O)C(C)(C)C)c1cc2c(cc1O)CCCC2	185475525	HJKDITBZTMCCCR-DMZKTXOQSA-N	323.502	3.469	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CO)Cc2ccccc2)cc1	323013260	ONNGKJLXMCAMDH-LJQANCHMSA-N	312.457	3.226	10	20	DGCD	
O=[N+]([O-])c1cnc(Sc2nnc(C3CC3)n2C2CC2)s1	190310424	ROJBVJQNHLCCBG-UHFFFAOYSA-N	309.376	3.006	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2ccc(C)cc2)c1O	278905801	RQYIMZBDOJNYLZ-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCOCC(F)F	282399391	FEBMHGCECIEAAK-UHFFFAOYSA-N	315.360	3.193	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCC2=CCCOC2)c1C	288076374	PEITVMXDDYSLRX-UHFFFAOYSA-N	324.424	3.479	10	20	DGCD	
COc1ccc(N(C[C@@H]2CCNC(=O)CC2)[C@@H](C)C2CC2)cc1	295019505	UPZDQRRTIMTWAU-GJZGRUSLSA-N	316.445	3.216	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C1[C@H]2CCC[C@H]12	807837001	XGIVIKHYKDIYRO-UWVGGRQHSA-N	300.185	3.361	10	20	DGCD	
CC[C@@H](C)CONC(=O)NCc1ccc(N2CCCC2)cc1	291663939	PEQPQMIMJNFYRU-CQSZACIVSA-N	305.422	3.064	10	20	DGCD	
CC(=O)N1CCCN(Cc2cccc(C)c2O)c2ccccc21	809785847	DZADCHNGHYUMFW-UHFFFAOYSA-N	310.397	3.464	10	20	DGCD	
C[C@@H](N[C@@H]1CCCC[C@H]1N)c1cccc(C(F)(F)F)c1O	818616050	SVJOUVFLSYWSJL-OASPWFOLSA-N	302.340	3.332	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3ncc(C)s3)C2)cc1	819935994	PRWHKYMDWVUMHW-ZDUSSCGKSA-N	303.431	3.399	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)C3(C)CCCC3)C2)cc1	819581863	FFBSRHROLRFAJH-HNNXBMFYSA-N	316.445	3.218	10	20	DGCD	
CCC(O)(CC)C(C)(C)CNC(=O)N(C)Cc1ccccc1O	820104165	LDYXRCQSYILNPS-UHFFFAOYSA-N	322.449	3.111	10	20	DGCD	
CC(C)(C)OC(=O)C(C)(C)CCNCc1cc(F)ccc1O	822498492	ZDWQYVBSTQCMOC-UHFFFAOYSA-N	311.397	3.379	10	20	DGCD	
CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(N2CCCCC2)cc1	903299076	DDUCQBOVZWEGIX-ATZDWAIDSA-N	318.461	3.131	10	20	DGCD	
CCn1nc(C)c(-c2csc(-c3ccc(N(C)C)cc3)n2)n1	829606586	LPVOCMDTEQESGD-UHFFFAOYSA-N	313.430	3.463	10	20	DGCD	
Cc1ccnc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	836406418	RLLKLCRQKMIGLH-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
CC[C@@H](NCc1nc(-c2ccccn2)n[nH]1)c1ccc(C)cc1O	834903262	GXYWCABVLQOHCZ-CQSZACIVSA-N	323.400	3.122	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2C[C@@H](C)Oc3ccccc32)s1	732741025	GVOVZYNWFFWRSF-SKVAFPRGSA-N	300.383	3.279	10	20	DGCD	
CCc1cccc(CNCC(=O)N2CCCc3ccccc32)c1O	848894905	NOBKVSUTDFSYCT-UHFFFAOYSA-N	324.424	3.024	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cncc3ccccc23)cc1	841045685	OFXJBHXSPFSDDZ-FQEVSTJZSA-N	320.440	3.090	10	20	DGCD	
CCN(C)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	741753296	SCXHSWFUAYBWRZ-UHFFFAOYSA-N	323.484	3.461	10	20	DGCD	
CN(C)c1ccnc(CNCc2ccc(N3CCCCC3)cc2)c1	922480777	LZSMQOLWFRYNBK-UHFFFAOYSA-N	324.472	3.428	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCOC3(CCOCC3)C2)c(O)c1C	756764427	IYWOCEYUKBNVRD-HOTGVXAUSA-N	319.445	3.388	10	20	DGCD	
CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1Cl	850571157	NWGFYMAQFKVVRX-JLZZUVOBSA-N	324.852	3.005	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(F)cc(F)c1O	756710188	BUXUAQJUSYWULX-MEBBXXQBSA-N	323.339	3.063	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1	850356325	OMJZXKNEODVQTF-CDMIOBSGSA-N	322.518	3.312	10	20	DGCD	
CCc1csc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1	756970580	WFHSIOFGFJNKHI-UHFFFAOYSA-N	321.421	3.180	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnc3n2CCC3)cc1F	850128823	KNHQEBGVPYYMGE-UHFFFAOYSA-N	316.424	3.104	10	20	DGCD	
CC1CCN([C@@H](C)CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756504688	PWANDDHGOPHPRT-KBPBESRZSA-N	321.421	3.071	10	20	DGCD	
Cc1ccccc1[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	935310111	IGOGGGXXUCVQSP-KBPBESRZSA-N	313.397	3.257	10	20	DGCD	
Cc1cc(C)nc(NCc2cccc(Br)c2O)n1	764935558	WWQHSSDLSZTFIN-UHFFFAOYSA-N	308.179	3.174	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3C[C@@H](OC)C3(C)C)CC2)cc1	766526917	FLGCZBVSIWQFRQ-QZTJIDSGSA-N	318.461	3.067	10	20	DGCD	
CCOC(=O)[C@H]1CCCN1Cc1ccc(N(CC)CC)cc1	768532325	FGIJQWZLHKILHJ-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
C[C@H](NC(=O)CSc1ccncc1)c1ccc(N(C)C)cc1	773018657	WMSNUQFNAURZJZ-ZDUSSCGKSA-N	315.442	3.117	10	20	DGCD	
C[C@H](NCCc1ccn(C)n1)c1cc(Cl)c(Cl)cc1O	774354605	AEVDJYWWEMKLNW-VIFPVBQESA-N	314.216	3.326	10	20	DGCD	
C[C@@H](NC[C@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1	774378365	LINGGLIVGLNXNT-DNVCBOLYSA-N	301.478	3.420	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N[C@H]1CCCC[C@H]1C	879647893	PITCEMCBUKOSQC-NYTXWWLZSA-N	304.434	3.126	10	20	DGCD	
COC1(C)CN(C(=O)c2sccc2-n2c(C)ccc2C)C1	777441723	JYIIQOPDLRGZHE-UHFFFAOYSA-N	304.415	3.017	10	20	DGCD	
C[C@H](NC[C@H]1OCCc2ccccc21)c1c(O)cccc1F	886548186	YMKGHYKICXWYNQ-YVEFUNNKSA-N	301.361	3.496	10	20	DGCD	
CCc1nc([C@@H](C)NCc2ccc(OC)c(OC)c2O)cs1	892977236	KQTOUMLBWACZJS-SNVBAGLBSA-N	322.430	3.279	10	20	DGCD	
COC(=O)c1cccc(CNCc2ccc3c(c2)CCCO3)c1	894451133	CKENCMFFIWUWSL-UHFFFAOYSA-N	311.381	3.088	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@@H](C)NC(=O)CCCF)cc1C	1135212376	WIFCQPZLULORNF-HUUCEWRRSA-N	324.440	3.126	10	20	DGCD	
CO[C@H](C)[C@H](C)NCc1cc(Cl)cc(Br)c1O	883100456	YKGHINVSVPVUJI-JGVFFNPUSA-N	322.630	3.321	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ncccn2)cc1	798234181	KOUKXVVFQVYJMV-UHFFFAOYSA-N	306.369	3.161	10	20	DGCD	
CCCCCC(=O)NCCCNCc1ccc(OC)c(C)c1	1154657324	KJJPJSZFYQRJDF-UHFFFAOYSA-N	306.450	3.180	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1nc(C(C)C)n[nH]1	1330713005	GOQPARSXOGCLJC-NWDGAFQWSA-N	300.406	3.280	10	20	DGCD	
CS[C@H]1CCC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1	1261962509	XCWBKRXPHIUHJO-AGIUHOORSA-N	308.447	3.427	10	20	DGCD	
Cc1cc(-c2nnc(C3(C(=O)O)CC3)o2)c(C)n1-c1ccccc1	1600063742	QQDLPZHLXZRMBP-UHFFFAOYSA-N	323.352	3.260	10	20	DGCD	
CCCCC(=O)N1CC[C@@H](CNCc2ccc(OC)c(C)c2)C1	1752929878	QFTRLODMZLYAMZ-KRWDZBQOSA-N	318.461	3.132	10	20	DGCD	
CCC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)O	1595995895	KUDDBHJKLMGBQA-MRXNPFEDSA-N	314.385	3.077	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2cc(Cl)cn2C)cc1OC	160392679	AHPJXIQKGBSUPQ-UHFFFAOYSA-N	324.808	3.033	10	20	DGCD	
COc1cc(O)c(CN(C)c2ccc(F)c(F)c2)cc1OC	160488610	ZMYITRNNMOPYJJ-UHFFFAOYSA-N	309.312	3.324	10	20	DGCD	
CC(C)(C)OCCN(Cc1ccccc1O)C[C@H]1CCCO1	109761547	RVQGVUDWUPTTJP-MRXNPFEDSA-N	307.434	3.188	10	20	DGCD	
C[C@@H](NCCc1ccccc1)c1ccc(N2CCOCC2)cc1	123429630	QTTDSMAGBVWIEW-QGZVFWFLSA-N	310.441	3.417	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC3(CCC3)C2)cc1	128145312	KMANGVDMRULVNC-UHFFFAOYSA-N	324.424	3.489	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Cl)cc1F	128506564	WTBZQLWNEQGXPI-UHFFFAOYSA-N	324.739	3.255	10	20	DGCD	
COCc1ccc([C@H]2CCCN2Cc2cccc(OC)c2O)o1	137064488	YOGBZYMNVUJMJD-OAHLLOKOSA-N	317.385	3.477	10	20	DGCD	
CCc1ccccc1C(=O)NCc1ccc(N(C)C)c(F)c1	153462012	ITTSNLPAPZLCHA-UHFFFAOYSA-N	300.377	3.384	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)c2ncon2)c1C	154484798	VXVSGVKEJBLDFM-ZDUSSCGKSA-N	324.384	3.277	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccccc2OCC2CC2)c(O)c1O	179513811	BHXQKLIJXLHTKD-UHFFFAOYSA-N	313.353	3.447	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)c1ccccc1	183426667	HOWWJFPBKPAZOJ-ZIAGYGMSSA-N	313.397	3.339	10	20	DGCD	
Nc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCC3)cc2)c1	193384902	KNLWLLKXBAHCTJ-UHFFFAOYSA-N	312.373	3.389	10	20	DGCD	
CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C12CCCCC2	236886818	VRQVVAZDYYZDHC-DLBZAZTESA-N	316.445	3.055	10	20	DGCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CC1	255474371	IUKMQKYZIQYOCC-UHFFFAOYSA-N	308.341	3.319	10	20	DGCD	
CN(C)c1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1F	263938878	QLVXOJKRLGYRRK-MDWZMJQESA-N	322.430	3.255	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CO)c2ccc(F)cc2)cc1	265227245	IJKYADXDNPFWMR-IBGZPJMESA-N	316.420	3.495	10	20	DGCD	
CC[C@@H](NCCCO[C@H]1CCOC1)c1cccc(Cl)c1O	287677335	MLKVMVIBZGABNX-SWLSCSKDSA-N	313.825	3.282	10	20	DGCD	
OC[C@]1(F)CCCN(Cc2cc(-c3ccccc3)ccc2O)C1	289379515	BRHKQNUOSUMIES-IBGZPJMESA-N	315.388	3.356	10	20	DGCD	
CN(C)c1ccc(CN2CCC(CO)(c3ccccc3)CC2)cc1	293441600	VEPUAOBVQBFTNM-UHFFFAOYSA-N	324.468	3.279	10	20	DGCD	
CN(CC1(c2ccccc2)CC1)C(=O)c1c(F)ccc(O)c1O	294879629	AACWLKPFRBPNON-UHFFFAOYSA-N	315.344	3.041	10	20	DGCD	
CC[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1OC	378874199	WDHZXGNFNIGOBX-AWEZNQCLSA-N	315.369	3.370	10	20	DGCD	
COCCCCN(C)C(=O)NCc1c(C)c2ccccc2n1C	416709231	FRGUKUUNOKDHAN-UHFFFAOYSA-N	317.433	3.055	10	20	DGCD	
Oc1cccc(Br)c1CNCCC[C@H]1CCOC1	706842141	PHFVAPCLFNWNBY-NSHDSACASA-N	314.223	3.061	10	20	DGCD	
COc1cc(O)c(CNC[C@H](SC)C(C)(C)C)cc1OC	753571233	TXFFONKIQGTPEY-HNNXBMFYSA-N	313.463	3.277	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1cc(F)cc(F)c1O)CN1CCCCC1	756435033	SXCLZDLLVZQCQL-STQMWFEESA-N	312.404	3.443	10	20	DGCD	
C[C@@H](NCCCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O	756629951	SRNUINWUZNXKCI-SNVBAGLBSA-N	315.360	3.443	10	20	DGCD	
C[C@H](NCCc1cccc(F)c1F)c1cc([N+](=O)[O-])ccc1O	756713012	UGWKOMHBTZIFKV-JTQLQIEISA-N	322.311	3.472	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2ccc3c(c2)nnn3C)cc1	759933073	IRVSGHJGUZUYRA-UHFFFAOYSA-N	310.401	3.392	10	20	DGCD	
C[C@H](C(=O)NCc1cccc(Br)c1O)C(C)(C)C	765750722	KVEAHBRDASVOEZ-SECBINFHSA-N	314.223	3.453	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)Cc2cc(OC)c(C)cc2O)C1(C)C	768445647	HXFALVAPFCUJGB-SJORKVTESA-N	307.434	3.345	10	20	DGCD	
CC(C)CC[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768462481	LXBGOYKFDNJPAH-PBHICJAKSA-N	305.418	3.219	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC([C@H](O)C(F)(F)F)CC1	769513683	FZNRTWXEAUUPQM-ZDUSSCGKSA-N	323.742	3.181	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@@H](C(F)(F)F)O[C@H](C)C2)cc1	773753235	DWACBFAVOSYZIA-DOMZBBRYSA-N	316.367	3.294	10	20	DGCD	
C[C@]1(CNC(=O)NCc2ccccc2O)CCCc2ccccc21	774765993	PASMMNBIRZISBX-HXUWFJFHSA-N	324.424	3.486	10	20	DGCD	
CC[C@H](CSC)NC(=O)NCc1ccc(N(C)C)cc1C	774786006	YMXKFAJYOCTLMZ-CQSZACIVSA-N	309.479	3.002	10	20	DGCD	
C[C@@H](NCC(=O)Nc1cccc(F)c1)c1ccc(N(C)C)cc1	775832067	WYWODTPVPYUFQN-CYBMUJFWSA-N	315.392	3.181	10	20	DGCD	
CC[C@H]1[C@@H](C)CCN1Cc1ccc(N2CCOCC2)c(F)c1	775997428	ASMWQYAPVBYOEU-YOEHRIQHSA-N	306.425	3.283	10	20	DGCD	
Cc1cc(O)c(CN2CCC(O)(C(F)F)CC2)cc1C(C)C	777569418	HHUDOEFQGOSHOH-UHFFFAOYSA-N	313.388	3.416	10	20	DGCD	
CCCCn1ncc(NC(=O)c2cccc(O)c2O)c1C(C)C	791640632	DSXCEDKSEJWCPF-UHFFFAOYSA-N	317.389	3.470	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCC[C@H](C)[C@H]2C)c1O	795999124	HAFJZVBPOQZKRJ-XQQFMLRXSA-N	322.405	3.471	10	20	DGCD	
Cc1ccn(-c2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)n1	803816771	NDPINUKTGPSAAO-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
C[C@@H](Nc1nnc(-c2ccon2)s1)c1ccc(N(C)C)cc1	804621814	HPRZPEFUKOCLEF-SNVBAGLBSA-N	315.402	3.432	10	20	DGCD	
Cc1noc(C)c1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837341	MAXAVWDMNFBPGY-UHFFFAOYSA-N	315.156	3.234	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](CO)c2ccc(Cl)cc2)cc1	808431354	RKBYRSLCVROLKC-MRXNPFEDSA-N	318.848	3.272	10	20	DGCD	
CCNC(=O)C1(CN[C@@H](C)c2cc(Cl)cc(C)c2O)CCC1	808715995	HENAVWCIJOKNKN-LBPRGKRZSA-N	324.852	3.311	10	20	DGCD	
CC[C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OC	810176168	JKHYIGFSCSEZPL-HNNXBMFYSA-N	321.421	3.100	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cc([N+](=O)[O-])ccc1C	830394868	OCPSTIPJEZBZBA-UHFFFAOYSA-N	305.286	3.336	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CNC(C)(C)CC(C)(C)C)cc1	839478131	CVJRWOVZWGGXJF-UHFFFAOYSA-N	319.493	3.173	10	20	DGCD	
CCCCCCO[C@@H](C)C(=O)NCc1ccc(OC)cc1O	839747547	JPYZGFQUPMSXSX-ZDUSSCGKSA-N	309.406	3.002	10	20	DGCD	
C[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1O	841755555	JDQMVZJCEWUJBE-IAQYHMDHSA-N	323.795	3.439	10	20	DGCD	
CCc1cccc(CNCc2csc([C@H](C)OC)n2)c1O	848898263	RQKBFTFFAVOBLT-NSHDSACASA-N	306.431	3.408	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=S)NCC2CC2)cc1	849253593	QSHJYYWRFPQCJE-UHFFFAOYSA-N	305.491	3.249	10	20	DGCD	
COCC1(NCc2cccc(Br)c2O)CCCC1	850345112	KGWOJAPKSVIALT-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2CCCN(CC3CC3)C2)c1	853241518	WKFIPNZQQOOZBV-NVXWUHKLSA-N	302.462	3.473	10	20	DGCD	
O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1cccc(O)c1O	855549329	AXKACUGZBVSAMV-OAHLLOKOSA-N	313.353	3.110	10	20	DGCD	
CN(C)c1cc(F)c(CN(CCO)c2ccccc2)cc1F	862339018	XFVNGTKIUXGJRD-UHFFFAOYSA-N	306.356	3.030	10	20	DGCD	
CN(C)c1cc(F)c(CN(C)C2CCC(CO)CC2)cc1F	862368735	LWYDAEYPPMZBHM-UHFFFAOYSA-N	312.404	3.014	10	20	DGCD	
CC[C@@H](CC(F)(F)F)NC(=O)N[C@H](C)c1ccccc1O	868501454	KEURRSJFOHLTSR-ZJUUUORDSA-N	304.312	3.483	10	20	DGCD	
CC[C@@H](NC[C@H]1C[C@@H](N)C1)c1ccc(C(F)(F)F)cc1O	873249320	KWGSCKACCPAQTI-SUZMYJTESA-N	302.340	3.189	10	20	DGCD	
CC[C@@H](NC[C@H]1C[C@H](N)C1)c1ccc(C(F)(F)F)cc1O	873255944	KWGSCKACCPAQTI-IRUJWGPZSA-N	302.340	3.189	10	20	DGCD	
C[C@@H](NCC(=O)NCCC1=CCCCC1)c1ccccc1O	879647881	PAXWRIIVHFRADC-CQSZACIVSA-N	302.418	3.050	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)C2CC2)cc1	889828972	JJZYWKPTUFNJRX-AWEZNQCLSA-N	303.450	3.473	10	20	DGCD	
CCn1cc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)c(C)n1	894940597	UIAGAPDRJNICBW-OAHLLOKOSA-N	314.477	3.307	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1C[C@H]2CCCN2Cc2ccccc21	902699815	SWMZVIZSZZCIDC-HJCTWCACSA-N	319.408	3.106	10	20	DGCD	
C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1	903449177	WBJOCSGSIIRFKC-WMLDXEAASA-N	301.434	3.299	10	20	DGCD	
Cc1cccnc1[C@H](C)NC(=O)NCc1cc(Cl)ccc1O	1342961758	XQNAPQJIBUWMGK-NSHDSACASA-N	319.792	3.309	10	20	DGCD	
CC[C@@H](C)C[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1576972537	VWXBLBPIMJIDKM-KDOFPFPSSA-N	317.477	3.007	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@H](C)CN)c2C)c1	1579576762	LRGJRSGOQPLDFI-CQSZACIVSA-N	313.445	3.036	10	20	DGCD	
CCc1cccc(CN2CCc3ccccc3[C@H]2C(=O)O)c1O	1597586209	ASQKKMJEPOBSSZ-KRWDZBQOSA-N	311.381	3.139	10	20	DGCD	
CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C)c(O)c2O)C1	179526028	XQVIIBDPAPVKJH-NEPJUHHUSA-N	309.431	3.152	10	20	DGCD	
CCc1nsc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1	301498209	DMRKCOBMEXNTPX-LBPRGKRZSA-N	318.446	3.110	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](CCO)C2CCCCC2)c1	185829016	FPMUVUNVJDYFCD-SUMWQHHRSA-N	307.434	3.383	10	20	DGCD	
COCCOc1ccccc1CN(C)c1ccc2c(c1)OCO2	180760632	JSNQXYWUPWHIIT-UHFFFAOYSA-N	315.369	3.077	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(Cc2cccnc2)C2CC2)cc1	78321534	MUKVIGOKTPEKJS-UHFFFAOYSA-N	324.428	3.022	10	20	DGCD	
O=C(O)[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	86729851	ABRVQHIPVOTENS-LLVKDONJSA-N	304.173	3.138	10	20	DGCD	
COc1ccc(OCCSc2ncc([N+](=O)[O-])s2)cc1	195511877	CRVJEQPVJHDRBM-UHFFFAOYSA-N	312.372	3.231	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1CCOCC1	265266179	BOBNTDKTVNKMHB-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
COCC[C@@H](NCc1cc(OC)ccc1O)c1ccc(C)o1	272551600	DBMWKPRJRXDBJJ-OAHLLOKOSA-N	305.374	3.170	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCSC2(CCOCC2)C1	274507248	UANMSJGMFVQYJJ-UHFFFAOYSA-N	313.850	3.144	10	20	DGCD	
CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)n[nH]1	271586604	XOUQQNOJPFVACF-CHWSQXEVSA-N	301.438	3.406	10	20	DGCD	
C[C@H](N[C@H](C)Cn1ccnc1)c1cc(Br)ccc1O	273372591	GKCZNCZUYVNANL-MNOVXSKESA-N	324.222	3.091	10	20	DGCD	
CCNC(=O)C1(CN[C@H](CC)c2ccc(N(C)C)cc2)CCC1	277384606	XUEZBCLSNJDFSI-QGZVFWFLSA-N	317.477	3.100	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N[C@H](C)CF)cc2)CC1	287510271	FJCZRBVJSJZXEF-CQSZACIVSA-N	307.413	3.080	10	20	DGCD	
Oc1cccc2c1[C@H](NC1CCN(c3nccs3)CC1)CC2	296372253	IUGLDVXTDMDXDP-CQSZACIVSA-N	315.442	3.095	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1CCC1	804910203	UNZJYMJVAAWSPC-UHFFFAOYSA-N	303.189	3.298	10	20	DGCD	
COCc1cc(CN2CCCCc3cc(OC)ccc32)no1	297301423	BGBXSVWKLLQBLV-UHFFFAOYSA-N	302.374	3.173	10	20	DGCD	
CC[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(F)cc1O	290243972	JIZUDAIZFAKBNX-DAYGRLMNSA-N	317.360	3.067	10	20	DGCD	
CC[C@@H](NCc1cc(C)cc(Br)c1O)C(C)(C)O	815155552	RXEIIOQYLGMYMF-GFCCVEGCSA-N	316.239	3.102	10	20	DGCD	
CC/C(C)=C(\C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819586336	NPLAGBOCSVNPTA-UTZKEFOASA-N	316.445	3.384	10	20	DGCD	
CC(C)[C@@H]1N(Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C	816624973	NEMRPHQDVVBPBE-IBGZPJMESA-N	315.505	3.305	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CSC2CC2)cc1	822269157	MAVCNBRDSBWCHG-UHFFFAOYSA-N	306.475	3.387	10	20	DGCD	
CCc1cccc(CN[C@@H](COC)c2cccc(OC)c2)c1O	827012526	ZVZNJJRRZHANNA-SFHVURJKSA-N	315.413	3.441	10	20	DGCD	
CCC(C)(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	726753996	LPAYYKIPQJQPDY-AWEZNQCLSA-N	304.434	3.137	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC23CCSCC3)c1	825736914	NCEFORWLWJFYQC-RISCZKNCSA-N	321.442	3.111	10	20	DGCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)NCCC1=CCCCC1	732354110	ZXNJBPYJPVFYCB-NSHDSACASA-N	323.414	3.006	10	20	DGCD	
CSC[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	736361190	PKYVWVJGIHOLNG-ZDUSSCGKSA-N	323.462	3.426	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1C[C@@H](C)Oc2c(F)cccc21	588519929	VEXFEFIYSDJMRN-JYESYGNLSA-N	318.373	3.418	10	20	DGCD	
C[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1cc(Cl)ccc1O	834828549	VNSBKQATIJQIPM-ABAIWWIYSA-N	323.795	3.439	10	20	DGCD	
COc1cccc(O)c1CNCc1cnccc1C(C)(C)C	840958926	NMPBCDCRVDZQDT-UHFFFAOYSA-N	300.402	3.383	10	20	DGCD	
C[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1O	848558305	LGICOAGQZZSTMI-BZNIZROVSA-N	314.360	3.135	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2c(c1)CCN2	841272319	KUXVGAWWAQUAGU-UHFFFAOYSA-N	324.428	3.351	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	918061290	KWRIDDRGLYFAFK-YQQAZPJKSA-N	317.502	3.248	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2C[C@@H]2C)cc1	916639643	OFANGZWBEQCSRR-GOEBONIOSA-N	303.450	3.330	10	20	DGCD	
Cc1nnsc1CN(Cc1ccccc1O)C1CCCC1	844296382	IVIKJEUPYXKTQD-UHFFFAOYSA-N	303.431	3.497	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@H](CN)C2CCCCC2)c1O	842475787	CMLKUYGDTOBPEQ-MRXNPFEDSA-N	324.852	3.245	10	20	DGCD	
COCC[C@H](NC(=O)Nc1ccc(N)cc1)c1ccc(C)o1	841295534	AJAKKMBUQXDEIY-AWEZNQCLSA-N	303.362	3.070	10	20	DGCD	
C[C@H](CC(F)(F)F)NC(=O)NCc1cc(Cl)ccc1O	846713084	DIZPLNJSYINISU-SSDOTTSWSA-N	310.703	3.186	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C	840432831	HFDDQFBFILCSTI-LZWOXQAQSA-N	320.433	3.127	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1ccc(F)cc1O	756585329	JNPLAAWIJWQUGM-MEBBXXQBSA-N	301.365	3.358	10	20	DGCD	
C[C@H](NC[C@H]1CCCN(CC2CC2)C1)c1cc(F)ccc1O	853240017	LOZBBPQQJBDKKR-DZGCQCFKSA-N	306.425	3.304	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c1	858249283	NNGNKGHNCBBZNK-DOTOQJQBSA-N	310.397	3.131	10	20	DGCD	
CC1CCN(CCCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756364022	RWWHSEXFUYRGCW-AWEZNQCLSA-N	321.421	3.073	10	20	DGCD	
CCn1cc(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)nn1	850522338	OUOMQJSIRVXWDP-MRVPVSSYSA-N	315.204	3.161	10	20	DGCD	
COc1cc(CN[C@@H](C)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1	850160182	QBOIZMZQKMWFES-QWHCGFSZSA-N	307.434	3.213	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Br)ccc2O)CCS1	769446879	QBEBGJANSMWEDO-GFCCVEGCSA-N	316.264	3.482	10	20	DGCD	
CN(Cc1c(O)cccc1Br)Cc1cccn1C	862246981	FDIUDPQLKGLKOH-UHFFFAOYSA-N	309.207	3.125	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(Cl)c2O)c1	775780876	UYMZEHXVJDYNKN-VIFPVBQESA-N	321.760	3.251	10	20	DGCD	
CO[C@]1(C(F)(F)F)CCCN(Cc2c(C)cccc2O)C1	877460688	SDRAIKNIWQGZRY-CQSZACIVSA-N	303.324	3.244	10	20	DGCD	
Cc1c(NC(=O)N[C@H](C)c2ccccc2O)cnn1CC(C)C	879070083	NMRVYYMXILAHEV-GFCCVEGCSA-N	316.405	3.436	10	20	DGCD	
CC[C@H](NCCCC(=O)NC)c1ccc(Cl)c(Cl)c1O	775496294	FSFNWAZBWCDSPJ-NSHDSACASA-N	319.232	3.266	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc2ccccc2s1	779488018	ACJGDWVOXCDEEW-VURMDHGXSA-N	312.350	3.359	10	20	DGCD	
Cc1cncc(/C=C\C(=O)N(C)c2cccc3c2CCCN3)c1	1120731377	XJNWBNVBMVWUQP-HJWRWDBZSA-N	307.397	3.424	10	20	DGCD	
Cc1ccc(C(=O)OC[C@@H]2CCC3(CCCC3)O2)c(O)c1O	783342700	DAHNBBLYRJJTPI-LBPRGKRZSA-N	306.358	3.055	10	20	DGCD	
C[C@H](NCCN1CCCC1)c1cccc(C(F)(F)F)c1O	788506557	VYKLOIAZFUJDCU-NSHDSACASA-N	302.340	3.157	10	20	DGCD	
Nc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)OC23CCC3)cc1	884008992	IDWIRFXVRDFLSF-MRXNPFEDSA-N	322.364	3.084	10	20	DGCD	
COC(=O)c1cc(NCc2c(O)cccc2OC)c(C)cc1C	788268810	IJOZNURCMNNAMP-UHFFFAOYSA-N	315.369	3.416	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@@H](C)c2cc(F)cc(F)c2O)cc1	786584850	UXAGJHWVQLOEAK-SWLSCSKDSA-N	321.367	3.233	10	20	DGCD	
COc1ccc(CN2CC[C@@H]2Cc2ccccc2)c(O)c1OC	892130320	KBTRHAGCJKWNIM-MRXNPFEDSA-N	313.397	3.226	10	20	DGCD	
COc1cc(C)ccc1NCc1ccc(OC)c(OC)c1O	892342011	HYRUCDYFYSKUJV-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
Cc1ccnc(C2CCN(Cc3cc(F)cc(F)c3O)CC2)n1	894456237	QDDXSTUNPIKHII-UHFFFAOYSA-N	319.355	3.148	10	20	DGCD	
COC1(C)CCN(Cc2cc(Br)ccc2O)CC1	272387863	UIDURLSMHKTEPN-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
Cc1c([C@H](C)N[C@H]2C[C@H](C)c3c(F)ccc(O)c32)cnn1C	1254720968	DVZUUCSGHONERI-BHDSKKPTSA-N	303.381	3.472	10	20	DGCD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NCc2ccc(N)cc2)C1	1337078641	LJCDPPVALLRONG-MAUKXSAKSA-N	301.434	3.379	10	20	DGCD	
C[C@H](C[C@@H](O)c1ccco1)NCc1cc(F)c(N(C)C)cc1F	1261787869	DMPUJWJGDMFDGD-BDJLRTHQSA-N	324.371	3.226	10	20	DGCD	
Cc1oc(CN(C)Cc2cccc(Cl)c2O)cc1C(=O)O	1600843896	YWCLRERCNAUKAU-UHFFFAOYSA-N	309.749	3.277	10	20	DGCD	
COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(N)cc1	1579306546	VWQRYMONGDYQGI-OWBHPGMISA-N	310.397	3.083	10	20	DGCD	
N[C@H]1CC=C(C(=O)N2CCCc3c(Cl)cc(Cl)cc32)C1	1580171526	REZIDCOGKVCELF-NSHDSACASA-N	311.212	3.320	10	20	DGCD	
COc1ccc(CNc2ccc(C)c(C(=O)O)c2)c(O)c1OC	1599573968	UKEKMBFQQIJUCQ-UHFFFAOYSA-N	317.341	3.028	10	20	DGCD	
CN(CC1Cc2ccccc2C1)c1ccc(OCC(=O)O)cc1	1598468215	JZRAUDHGNBGEQK-UHFFFAOYSA-N	311.381	3.001	10	20	DGCD	
Cc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cn1	153696111	RORIMBSSFZJUIU-GOSISDBHSA-N	312.413	3.277	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1n[nH]c2ccccc12	52851278	RWNYMBKCPNUFLW-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
COC1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1	53887378	CBYYBNUTGRYTSX-UHFFFAOYSA-N	312.413	3.345	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	57646708	IBLPDEJGOPRDCY-BETUJISGSA-N	307.413	3.079	10	20	DGCD	
O=C(C[C@@H]1C=CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	71808910	ZJQOTHYXSXNVJW-WBVHZDCISA-N	315.413	3.256	10	20	DGCD	
Cc1cc(O)c(CN2CCC(OC[C@H]3CCCO3)CC2)cc1C	83630493	MQJOCVKEKAKREK-GOSISDBHSA-N	319.445	3.169	10	20	DGCD	
CNC(=O)c1ccc(CN(C)c2ccc(OC)c(Cl)c2)cc1	121847712	LQELGJCKFAYVII-UHFFFAOYSA-N	318.804	3.345	10	20	DGCD	
Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccccc2O)c(C)c1	159637762	SUNIYHQSYFSSDF-UHFFFAOYSA-N	319.426	3.138	10	20	DGCD	
Cc1cc(C(=O)N(C)CC(C)(C)O)c(C)n1-c1ccc(F)cc1	174516828	RJSPCQFFOXJYFE-UHFFFAOYSA-N	318.392	3.076	10	20	DGCD	
COc1cc(Cl)cc(CN(C[C@@H]2CCOC2)C2CC2)c1O	184678776	GHPKQMKDSUILKR-NSHDSACASA-N	311.809	3.055	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(NC(C)=O)cc2)c1	184916168	SWKUQKUKYGGNPG-GFCCVEGCSA-N	314.385	3.210	10	20	DGCD	
C[C@@H](NCCN1CCc2ccccc2C1)c1cc(F)ccc1O	184923963	ZHRXXEQQQVAPLV-CQSZACIVSA-N	314.404	3.240	10	20	DGCD	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O	185442770	SYNYKVOKXCHIJW-AAEUAGOBSA-N	324.396	3.191	10	20	DGCD	
Cc1ccc([C@H](C)NCCc2nn(C)c3ccccc23)c(O)c1	186474114	CTRCTRQNFBYCEM-AWEZNQCLSA-N	309.413	3.481	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1	192680175	HDAINPULHMFXTC-OLZOCXBDSA-N	308.422	3.264	10	20	DGCD	
C[C@@H](NC[C@]1(N(C)C)CCSC1)c1cc(Cl)ccc1O	273563825	IVNMBXULYSTONU-IAQYHMDHSA-N	314.882	3.134	10	20	DGCD	
CCC1(CC)CN(C(=O)c2ccc(C)c(O)c2O)CCS1	274318405	AHLSHHFLGJNMDP-UHFFFAOYSA-N	309.431	3.154	10	20	DGCD	
CC[C@@H](C)c1nc([C@H](C)NCc2ccc(N(C)C)cc2)n[nH]1	276761891	AJBJELKEGXWRSW-OLZOCXBDSA-N	301.438	3.235	10	20	DGCD	
C[C@@H](CCCCO)N[C@H](C)c1cc(Br)ccc1O	296236014	CGSSYTUOFFSJGO-WDEREUQCSA-N	316.239	3.356	10	20	DGCD	
Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(N)cc1	297148430	IOOJEPVQUCDQKG-UHFFFAOYSA-N	303.431	3.261	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@H](CO)Cc1ccccc1	322719862	RZZMOPOJTCGOSW-XIRDDKMYSA-N	311.425	3.442	10	20	DGCD	
Cc1c(CNC(=O)c2cnn3ccccc23)n(C)c2ccccc12	348637028	TVPRBUWDCPFTEB-UHFFFAOYSA-N	318.380	3.064	10	20	DGCD	
Cc1c(CNC(=O)c2c(O)cccc2F)n(C)c2ccccc12	436985693	FODBHZAACWRMRY-UHFFFAOYSA-N	312.344	3.261	10	20	DGCD	
Cc1ccc(Cl)cc1CNC(=O)/C=C\c1ccc(O)c(O)c1	588560161	LYVBYNMHFSJLBJ-DAXSKMNVSA-N	317.772	3.389	10	20	DGCD	
CCn1c([C@H](C)NC(=O)c2cc(O)cs2)nc2ccccc21	731873792	USQYAIYUQDBTAI-JTQLQIEISA-N	315.398	3.314	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC(=O)NC2CCCC2)cc1	741676631	MXFCYEWBJRSQLM-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(F)ccc1O	742443759	OHTORMXTZUYVML-MRXNPFEDSA-N	320.408	3.465	10	20	DGCD	
CS[C@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	751299933	RULNTBFRDBWORC-LLVKDONJSA-N	312.398	3.086	10	20	DGCD	
C[C@@H]1C[C@H](NCC[S@](=O)C(C)(C)C)c2c(O)ccc(F)c21	756588145	FLJJDNGVAYIDMZ-XYQMPLONSA-N	313.438	3.216	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCCn2ccnc2)cc1	765257084	HZBILNKMZOLRJJ-MRXNPFEDSA-N	300.450	3.470	10	20	DGCD	
CN(CC[C@@H]1CCCCN1C)Cc1ccc(N(C)C)c(F)c1	769482942	LSLZIQLOPWTGAU-INIZCTEOSA-N	307.457	3.198	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2ccsc2)c1O	774822026	XNIOXJNNQBJQLC-UHFFFAOYSA-N	308.359	3.003	10	20	DGCD	
CCc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(O)c2O)cc1	776282107	OLCACSHDQVDHPW-NSHDSACASA-N	314.337	3.088	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(OC)cc1O	794387280	HTERYFSMTQJJLC-DYVFJYSZSA-N	321.417	3.002	10	20	DGCD	
CC(C)n1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	797680461	IVGJZFJXRCDDOD-ZDUSSCGKSA-N	315.421	3.413	10	20	DGCD	
C[C@@H]1CCC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1C	797763328	RKJYIEZLLHQVPG-NOGHCJLRSA-N	303.402	3.300	10	20	DGCD	
CCC(CC)(CCO)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	802298154	KSWLLSDUAMADEI-AWEZNQCLSA-N	321.465	3.054	10	20	DGCD	
COc1cccc(CNC(=O)Cc2coc3ccccc23)c1O	802781562	DESIMFBTAZPBAF-UHFFFAOYSA-N	311.337	3.006	10	20	DGCD	
CCOC1CC(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)C1	806326184	MZJJWPBQDCHIGV-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
CC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCOCC1	807840883	MUFMGTBVFQUIJR-UHFFFAOYSA-N	318.200	3.132	10	20	DGCD	
COc1ccc(CNC/C=C\c2ccc(F)c(F)c2)c(O)c1	809658524	QHTRFSPQWMVKSO-IHWYPQMZSA-N	305.324	3.482	10	20	DGCD	
O=C(NCCCSc1nccs1)C1(F)CCCCC1	810399384	UTKLCYAYVOWRFG-UHFFFAOYSA-N	302.440	3.414	10	20	DGCD	
CC[C@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(Cl)c(Cl)c1O	817976205	IDBHMPMRQKIJHE-AUTRQRHGSA-N	321.223	3.440	10	20	DGCD	
Cc1ccc(F)c(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1	822861502	AENHJNAEICJOII-UHFFFAOYSA-N	318.367	3.198	10	20	DGCD	
Cc1csc(CNCc2ccc(N3CCN(C)CC3)cc2)c1	824750480	KZUKGEQXZZKXAY-UHFFFAOYSA-N	315.486	3.098	10	20	DGCD	
COc1ccc(CNCc2ccc(Cl)c(OC)c2)c(O)c1	825143988	IZGBGBVVUYNOTN-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
CCN(CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C)C1CC1	827400193	CUQUFCVEFJGWTE-UHFFFAOYSA-N	315.392	3.295	10	20	DGCD	
COc1ccc(N(CC2CC2)C[C@@H]2CC3(CC3)C(=O)O2)cc1	831588037	RWPLIPZBZVBRBL-INIZCTEOSA-N	301.386	3.007	10	20	DGCD	
Oc1cccc2c1[C@H](NCC[C@H]1COc3ccccc3O1)CC2	834685514	YNXJNBFIANJURI-LSDHHAIUSA-N	311.381	3.199	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1ccoc1	839920195	NDWSYGJNFLWYSH-OAHLLOKOSA-N	314.429	3.334	10	20	DGCD	
CCCN1CC(=O)N[C@H]1c1cc(Cl)c2ccccc2c1O	840824434	MDFYACDFLJSJKJ-MRXNPFEDSA-N	304.777	3.039	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](CN(C)CC2CC2)C1	840916230	HZNZKGKOIQEKBD-GOSISDBHSA-N	315.505	3.225	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](CO)c1c(F)cccc1F	840934364	POGZPESIJOQJKK-QGZVFWFLSA-N	320.383	3.162	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN(C)CC(=O)O)cc1	840994956	DVJVIKZUAXPUAA-UHFFFAOYSA-N	312.413	3.230	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H](OC)C(F)(F)F	845791713	QQLNDZFGECFJNK-CYBMUJFWSA-N	319.323	3.098	10	20	DGCD	
CC[C@@H](N[C@H](CO)CCF)c1ccc(C(F)(F)F)cc1O	846096654	JMIANYDKOJHBAU-CMPLNLGQSA-N	309.303	3.172	10	20	DGCD	
COc1cccc([C@@H](C)NCCOc2ccc(C)cc2)c1O	846135281	CDPDARXCDLYHJU-CQSZACIVSA-N	301.386	3.439	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](C)CN2CCCCC2)c1O	846146983	UFFSPYBKHAEHAW-GJZGRUSLSA-N	306.450	3.173	10	20	DGCD	
C[C@H](CNCc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C	848925927	IIASLYQWRLIISY-SECBINFHSA-N	317.788	3.252	10	20	DGCD	
COCc1csc(CNCc2ccc(N(C)C)c(F)c2)c1	850099120	FFARKDUPZRAHIZ-UHFFFAOYSA-N	308.422	3.389	10	20	DGCD	
COc1cc(CNCc2ccn(C)c2)c(O)c(C(C)(C)C)c1	850170500	LQWREMATWSTTBF-UHFFFAOYSA-N	302.418	3.327	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CCCN(CC3CC3)C2)c1	853239390	GODGBDYLXRZOSR-GDBMZVCRSA-N	318.461	3.173	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCc3cc(F)ccc32)cc1	854271632	NXTJAJICHANZRJ-GOSISDBHSA-N	312.388	3.238	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	858199931	UWVGSGISPNPMIB-HSALFYBXSA-N	320.436	3.297	10	20	DGCD	
Cc1ccc([C@@H](C)NC(=O)CN(C)c2ccc(N)cc2)cc1C	863557498	PMFNTEMCQXOBPP-OAHLLOKOSA-N	311.429	3.199	10	20	DGCD	
Cc1ccc2c(c1)nc(CNCc1ccc3c(c1)CCCO3)n2C	893649331	RSFOTRMHFRHJBV-UHFFFAOYSA-N	321.424	3.497	10	20	DGCD	
O=C(O)C[C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1	902010548	YTZZVBWSYMWDQL-QGZVFWFLSA-N	302.418	3.116	10	20	DGCD	
C[C@](O)(CNCc1ccc2c(c1)CCCO2)c1cccs1	921768892	MIPUIYVWGJRLSF-KRWDZBQOSA-N	303.427	3.070	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)Nc1cnn(C2CCC2)c1	934306154	MLLAGUGNVGFNJT-UHFFFAOYSA-N	320.780	3.289	10	20	DGCD	
CCOc1ccc(N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1	1119254587	ZXLBUXRWMNCYPA-ZDUSSCGKSA-N	308.422	3.435	10	20	DGCD	
CC[C@H](C)CC(=O)NCCCNCc1ccc(OC)c(C)c1	1157147186	GVSDMHJPPVSPOO-AWEZNQCLSA-N	306.450	3.036	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCN3CCC[C@H]3C2)cc1	1203938631	AHOGEZGKCGDWMW-IBGZPJMESA-N	301.478	3.203	10	20	DGCD	
C[C@@H](Nc1cccc(C2CC2)n1)c1cccc(-c2nn[nH]n2)c1O	1589983987	IGWQEVWMMVGSHK-SNVBAGLBSA-N	322.372	3.018	10	20	DGCD	
Clc1cnc(SCc2ccc(-c3nn[nH]n3)s2)s1	1592539428	XYZLJGMOBFKEBE-UHFFFAOYSA-N	315.836	3.330	10	20	DGCD	
COc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2)cc1	15134767	KXLNVGXMPKRLDL-UHFFFAOYSA-N	312.413	3.010	10	20	DGCD	
Cc1cc(N(C)C)ccc1NC(=O)N(C)Cc1ccccc1O	47520732	NGURYPHGBPYESO-UHFFFAOYSA-N	313.401	3.431	10	20	DGCD	
CN(Cc1cscn1)Cc1cc(C(C)(C)C)cc(O)c1O	63127385	NNASLLZLDJOPBS-UHFFFAOYSA-N	306.431	3.484	10	20	DGCD	
COc1ccc(O)c(CNCc2ccccc2OC(F)F)c1	74335795	YUTBNUZHKBKSME-UHFFFAOYSA-N	309.312	3.292	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N(CCN(C)C)c2ccccc2)s1	112241043	MSFDLGKZMZRIHR-MDZDMXLPSA-N	315.442	3.060	10	20	DGCD	
Cc1cncc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	124987882	HPXGXAKACHOURX-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
CCCOc1ccc(CN2CCC(NC(C)C)CC2)c(O)c1	179836353	YKPVTHASBIETQM-UHFFFAOYSA-N	306.450	3.143	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCc2cc(F)ccc21	180701163	VLCVBQREUCCNPK-GBVWOXPPSA-N	313.328	3.054	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](CCO)c2ccccc2)c1	185525461	XFOMPDLSWNJUES-ZBFHGGJFSA-N	315.413	3.218	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NC[C@H]2CCCO2)c1O	186919342	NPAOWVWPSMTAEQ-CMPLNLGQSA-N	314.223	3.293	10	20	DGCD	
C[C@H]1CCc2nc(NC(=O)Cc3ccc(N)cc3)sc2C1	262626648	DRDWJIWIUPPRQC-JTQLQIEISA-N	301.415	3.031	10	20	DGCD	
C[C@@H](NCc1nccn1C)c1cc(Cl)c(Cl)cc1O	278629039	GRRKBXGQPRLKIN-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)c2c(F)cncc2F)c1	285698346	OQYODNZJMPWKBY-NXEZZACHSA-N	308.328	3.486	10	20	DGCD	
CC[C@H](N[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1O	286195719	RAUHJRUXKGZQTN-WBVHZDCISA-N	303.377	3.176	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc(OC(C)(C)C)cn1	293236284	DOWPWFUFXJTGEE-UHFFFAOYSA-N	314.385	3.237	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(CF)CC1	296379009	PPYNCJWVGRDBIW-UHFFFAOYSA-N	319.424	3.178	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC[C@@H]3C[C@H](C)O)c2c1	305274154	ZRMUCZXKQQXOJR-DZGCQCFKSA-N	315.413	3.289	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1	360039885	ZNXGKPKSHDSFOD-UAGQMJEPSA-N	305.418	3.084	10	20	DGCD	
CC[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1	588408260	YYYISXAENWROLV-HGPCXVNDSA-N	311.381	3.249	10	20	DGCD	
CO[C@H]1CCN(Cc2c(O)cccc2Br)[C@@H](C)C1	707145877	JXXXQSSRYVBIEZ-QWRGUYRKSA-N	314.223	3.154	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cnc(C3CC3)s2)cc1F	729349508	GYQVRKBCPXQFCI-UHFFFAOYSA-N	319.405	3.156	10	20	DGCD	
CSCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	743629525	UORJWXOZVBVOPE-UHFFFAOYSA-N	309.435	3.038	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c(O)c1	752923785	GSQOIAUURAILSG-RYUDHWBXSA-N	318.421	3.273	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2cc(F)cc(F)c2)cc1	753592189	RWQYIJXVNSXIMZ-UHFFFAOYSA-N	321.323	3.153	10	20	DGCD	
FC(F)Oc1ccc2c(c1)CCCN2CCC1OCCCO1	754638612	CHXGPKZXXPWSLT-UHFFFAOYSA-N	313.344	3.194	10	20	DGCD	
CCN(Cc1ccnc(OC)c1)c1ccc(OC)c(OC)c1	762924974	ANOLIHVMBYWDAA-UHFFFAOYSA-N	302.374	3.134	10	20	DGCD	
Cn1c(Sc2ncc(Cl)s2)nc2sccc2c1=O	765002118	VZJILUBMYPXYND-UHFFFAOYSA-N	315.832	3.256	10	20	DGCD	
CCOc1ccc(CNC[C@@]2(C)CCO[C@H]2C2CC2)c(O)c1	767196975	ZWMRVLZPNBYNCS-ZWKOTPCHSA-N	305.418	3.086	10	20	DGCD	
C[C@H]1[C@@H](C)SCCN1Cc1cc(Br)ccc1O	769447020	RLYCYXKKQUFTJO-VHSXEESVSA-N	316.264	3.481	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc2ccccc12	773744375	ALKUPJFNVDNTTI-GFCCVEGCSA-N	322.364	3.007	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1	775411191	PINOUOZTIFNYDD-YYRKOSNBSA-N	309.413	3.347	10	20	DGCD	
CC(C)(C)OC(=O)[C@H]1CCCN1Cc1cccc(Cl)c1O	775723468	GUONAMRWDCJJJO-CYBMUJFWSA-N	311.809	3.352	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@H]1CCCc2c1cnn2C	775732224	MKDYLLBLHRJVML-AWEZNQCLSA-N	323.799	3.428	10	20	DGCD	
CN(C)[C@H](CNCc1cc(Cl)cc(F)c1O)c1ccco1	775797877	CRLHWMNBBYIUNU-CYBMUJFWSA-N	312.772	3.170	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCc2ccc(F)cc21	779513114	DTJGPTLSYMBETO-FTPZRKARSA-N	313.328	3.054	10	20	DGCD	
COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cc(C)ccc2O)C1	779604132	HJXORRQJLCKTMM-OAHLLOKOSA-N	305.418	3.112	10	20	DGCD	
Cc1ccc(C(=O)NC(C)(C)c2ccc(F)cc2)c(O)c1O	780929535	TXNOQJQIRAMURR-UHFFFAOYSA-N	303.333	3.210	10	20	DGCD	
O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(O)c1O	783852939	YGELKWWMBRQPME-GJZGRUSLSA-N	311.381	3.239	10	20	DGCD	
CCOc1ccc(CNC[C@@H](c2ccnn2C)C(C)C)c(O)c1	788074866	FLUOGBFKLGFHQW-MRXNPFEDSA-N	317.433	3.054	10	20	DGCD	
CC[C@@](C)(O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792896812	FMVWFZDAYDQJKU-CQSZACIVSA-N	304.356	3.022	10	20	DGCD	
C[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	792956775	MJYHESWQYOXRBS-NVXWUHKLSA-N	313.445	3.298	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](C)[C@H](O)c2ccc(C)cc2)c1	796492875	YUJSNUQILYSAJE-LIRRHRJNSA-N	315.413	3.311	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc1	797914098	RTYMTIDMFXDTHC-IYARVYRRSA-N	323.440	3.498	10	20	DGCD	
C[C@H](O)C[C@H](C)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	798184620	ZKJSHMNAELDDAY-DCAQKATOSA-N	305.340	3.469	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(C(=O)OC)CCCC2)cc1	799340349	APIMPPMCPBRRRF-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
CC[C@@H](CNCc1ccc(OCc2ccccc2)cc1O)OC	811518356	LLXOFVRPRPWRPP-KRWDZBQOSA-N	315.413	3.486	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)C[C@H](O)Cc1ccccc1	816624587	AFJRTBLENVQVHG-MRXNPFEDSA-N	305.805	3.081	10	20	DGCD	
C[C@H](N[C@@H]1CCCC[C@H]1N)c1ccc(Br)cc1O	818616374	VOMAPTCWEKMQDU-ZWKOPEQDSA-N	313.239	3.075	10	20	DGCD	
Cc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1C(C)(C)C	827930422	JXMMEPWVUFEELU-LLVKDONJSA-N	301.390	3.143	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)OC3(CCCC3)C2)c1O	830843580	JSGVWMHEUYETNF-LBPRGKRZSA-N	321.392	3.267	10	20	DGCD	
COc1ccc(N(Cc2ncnn2C(C)(C)C)CC2CC2)cc1	831588090	SKOILVOKHTZFGO-UHFFFAOYSA-N	314.433	3.458	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cnsn2)cc1	839110458	CDMVPPVMDCGEOW-UHFFFAOYSA-N	319.434	3.048	10	20	DGCD	
COc1cccc(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c1O	839191411	JLEULXPCJTYJDT-CABCVRRESA-N	307.434	3.473	10	20	DGCD	
CC[C@@H](CNC(=O)c1ccc(C)c(O)c1O)CC(F)(F)F	840514443	IZEYKFFDHLZNMK-SECBINFHSA-N	305.296	3.115	10	20	DGCD	
COc1ccc(CNC[C@@H](CO)c2ccc(F)cc2)cc1C	840963099	LDISTTUHSRUUJI-INIZCTEOSA-N	303.377	3.008	10	20	DGCD	
CCN(CC)CCN(CC(C)C)C(=O)Nc1ccc(N)cc1	841302209	PEBQYSVDERFGQK-UHFFFAOYSA-N	306.454	3.101	10	20	DGCD	
Cc1cc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)ccc1F	841855094	MCOTYFSPGWGBLY-CYBMUJFWSA-N	315.392	3.319	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c1O	846142798	CKMPCGJIFYHTHX-PRXAMGSTSA-N	319.376	3.313	10	20	DGCD	
COc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)o1	847083063	YRXSWXDNMTVWDB-ZDUSSCGKSA-N	316.401	3.024	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(OC)o1	848046099	PJKJCLMKWHKQHQ-UHFFFAOYSA-N	303.358	3.436	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(Cl)cc1O	850501350	AJUGCRBCDVZJAI-MNIFOHHSSA-N	315.866	3.386	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCC2Cc3ccccc3C2)c1	858322438	YTEQEAXWEURXPZ-UHFFFAOYSA-N	324.424	3.305	10	20	DGCD	
Cc1ncccc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	858368294	IIPIQYXXWQOFFN-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
CC[C@@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1	858526939	BPYYMFLKUOGGQX-IEBWSBKVSA-N	323.440	3.357	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2ccn(CCC(C)C)n2)c1	860788579	UAPXGJVFJOYHKC-UHFFFAOYSA-N	316.405	3.265	10	20	DGCD	
CCOC1(C)CCN(Cc2cc(F)c(N(C)C)cc2F)CC1	862376348	WZXFHEYEMZMMCC-UHFFFAOYSA-N	312.404	3.422	10	20	DGCD	
Cc1ccc(CNC[C@H](c2ccco2)N2CCCC2)c(O)c1	876888672	UUYLFLOCJVUZHS-MRXNPFEDSA-N	300.402	3.220	10	20	DGCD	
CN1CCC(CN(Cc2ccccc2O)C2CCCC2)CC1	892012230	LZOAYNVGOPRJJV-UHFFFAOYSA-N	302.462	3.479	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H](c2ccccn2)C2CC2)cc1	902937999	PYOFHRFJBRSNRS-SFHVURJKSA-N	324.428	3.098	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@@H]2CCC2(C)C)cc1C	1164312648	UJYMJWKOXRVSSG-INIZCTEOSA-N	318.461	3.036	10	20	DGCD	
CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cc(O)ccc1O	1317888841	BRFCGWLPRMHVQP-KRWDZBQOSA-N	312.369	3.320	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1C[C@@H](C)N(C2CC2)C1	1320244090	AFIREOXIVSEHCE-KQTLUZQSSA-N	300.446	3.464	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)Cc2ccccc2C)c1	1331502982	GTXSIUOJEGBCSV-OAHLLOKOSA-N	312.413	3.439	10	20	DGCD	
COc1ccc(CNCC[C@@H](C)NC(=O)[C@H](C)C(C)C)cc1C	1754007463	MYBUVYWZLVIRII-HZPDHXFCSA-N	320.477	3.280	10	20	DGCD	
CCN1CCCc2cc(CNC[C@@H](CC3CC3)C(=O)O)ccc21	1776876130	XTKNYHHKDHXWSD-QGZVFWFLSA-N	316.445	3.050	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2c(F)cccc2F)cc1	53984091	IQGRNLKLQJMHKL-UHFFFAOYSA-N	305.328	3.353	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cnn(C)c1	56915887	SODOHGOABBTGEP-UHFFFAOYSA-N	300.387	3.141	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccccc1F	52851383	FQHHFSHRFIGBJL-UHFFFAOYSA-N	314.404	3.483	10	20	DGCD	
Cc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)c(O)c1O	177668009	TVMVYQCMPJGYOS-UHFFFAOYSA-N	321.336	3.116	10	20	DGCD	
COc1ccc(NC(=O)N(C)Cc2ccccc2O)c(C)c1	66163748	FBKWNJLIDGNFIQ-UHFFFAOYSA-N	300.358	3.373	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)C	305162904	XOEQTSNTGXXLFB-CYBMUJFWSA-N	308.441	3.311	10	20	DGCD	
Cn1cccc1C(=O)N(Cc1ccco1)Cc1ccccc1O	120821365	BADSVZJRICSMEG-UHFFFAOYSA-N	310.353	3.166	10	20	DGCD	
C[C@H](c1ccsc1)N1CCN(Cc2cc(F)ccc2O)CC1	184972212	GILWMCNODJYKED-CYBMUJFWSA-N	320.433	3.472	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccccc1	180826618	VICGHQFUCQZQKK-RAQCGCRYSA-N	309.365	3.331	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@](C)(O)c2ccc(F)cc2)c(O)c1	186190034	OEWXSSDMQOSDGD-SCLBCKFNSA-N	303.377	3.398	10	20	DGCD	
COCCC1(CNCc2cccc(OC)c2O)CCCCC1	185225740	QRUMKJFYNLSKII-UHFFFAOYSA-N	307.434	3.477	10	20	DGCD	
CCNC(=O)COc1ccc(N[C@@H](C)c2ccccc2O)cc1	183649020	MJSNAKPJERHECE-ZDUSSCGKSA-N	314.385	3.080	10	20	DGCD	
CC(C)Cn1ncnc1CN(C)c1ccc(OC(C)C)cc1	191582187	CHSMLFXEEWCCDB-UHFFFAOYSA-N	302.422	3.358	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	191587772	HEDKTUSMSQFQRF-LPHOPBHVSA-N	312.457	3.315	10	20	DGCD	
COC(=O)[C@H]1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1	193502704	ZRSQCUWWVFOMBE-GZMMTYOYSA-N	318.200	3.130	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCc3ccccc32)cc1	248074423	BPVQTQNHQHJLEG-LJQANCHMSA-N	308.425	3.489	10	20	DGCD	
COc1ccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)cc1C	274326419	YHUKVOZPQMKJGW-HTAPYJJXSA-N	317.454	3.213	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCOc3c(F)cccc32)c1	372875355	BDXVXUHADWDXGE-CQSZACIVSA-N	318.304	3.053	10	20	DGCD	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(N)cc1	385955717	WCHUAEUDIBBASL-NSHDSACASA-N	301.312	3.464	10	20	DGCD	
CC[C@H](N[C@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1O	806161953	PSUSJKMNNIKJIK-RNCFNFMXSA-N	321.812	3.169	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@H]2CCc3cccc(O)c32)cc1	296865836	NTEGVVCYVKQPAQ-IRXDYDNUSA-N	313.397	3.101	10	20	DGCD	
CCOc1cccc(CN(C)Cc2ccc(C(=O)O)cc2)c1O	390966388	CBDJXOICVVEBLM-UHFFFAOYSA-N	315.369	3.121	10	20	DGCD	
C[C@H](N)[C@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1	817898593	JNDGDXOZNSQFKH-UWJYYQICSA-N	323.484	3.335	10	20	DGCD	
CCOCCO[C@H](C)C(=O)Oc1ccc2c(c1)c(C)c(C)n2C	817762164	SRTNFUISRIUVJW-CQSZACIVSA-N	319.401	3.142	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H](Cc2ccccc2)C2CC2)cc1	817941902	LRISUMWKTLYADD-RTWAWAEBSA-N	323.484	3.363	10	20	DGCD	
C[C@@H](NCc1cc(Cl)c(F)cc1O)[C@H](O)Cc1ccccc1	816558119	NULKTMDGAZDLIS-BDJLRTHQSA-N	323.795	3.266	10	20	DGCD	
COCC(C)(C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	727403175	CSEVMTKSQDAESM-UHFFFAOYSA-N	300.402	3.249	10	20	DGCD	
C[C@H]1CSCCN1Cc1ccc(Br)cc1O	824808967	OKUHHBUBBARWOG-VIFPVBQESA-N	302.237	3.092	10	20	DGCD	
CC[C@H](N[C@H](c1nncn1C)C(C)C)c1ccc(N(C)C)cc1	903062828	XPEPAWJOHXAIOO-IRXDYDNUSA-N	315.465	3.319	10	20	DGCD	
O=C(NCCCCOc1ccc(F)cc1)c1cc(O)cs1	731868694	PJABUDZUVQBESR-UHFFFAOYSA-N	309.362	3.182	10	20	DGCD	
CC[C@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccc(O)c(O)c1	588479719	AAIGUJGACKAVFZ-PXAMLJHWSA-N	323.392	3.475	10	20	DGCD	
CCn1nc(C2CC2)cc1C(=O)NCc1cc(Cl)ccc1O	911897903	MBKDPHJBVGTPTG-UHFFFAOYSA-N	319.792	3.069	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1O	846162071	GHBRTNKMEZBPQD-TVQRCGJNSA-N	321.323	3.463	10	20	DGCD	
Cc1ccc(N2CCC[C@H](N(C)Cc3ccccc3O)C2=O)cc1	744403363	YNOXZRCUWNMMIF-SFHVURJKSA-N	324.424	3.328	10	20	DGCD	
CSc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	843581269	QVRMEFIXBJZJQP-GFCCVEGCSA-N	315.442	3.361	10	20	DGCD	
CCCC[C@@H](CN)NC(=O)N(CCCC)Cc1ccccc1O	841958819	TUDFDZNUFDCEFK-INIZCTEOSA-N	321.465	3.221	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2cccc(C)c2)cc1	844851834	IJMVOPPUFHYWKW-UHFFFAOYSA-N	312.413	3.212	10	20	DGCD	
CC[C@H](C)c1nc(C)c(CC(=O)Nc2ccc(N)cc2)c(C)n1	848392925	KJDLLVUIVFSCQT-NSHDSACASA-N	312.417	3.370	10	20	DGCD	
C[C@H]1CC(NC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)C1	740023194	OCWPJUHXIBNRRF-ZIAGYGMSSA-N	303.450	3.377	10	20	DGCD	
CCOc1cccc(CNC[C@@H](OC)C2CCCCC2)c1O	850408046	WEPXCPFZZBXEBN-QGZVFWFLSA-N	307.434	3.476	10	20	DGCD	
C[C@@H](N[C@@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1O	756713026	SNGYICKWAUVLAZ-PSLIRLAXSA-N	311.303	3.194	10	20	DGCD	
CC(C)=C(C)C(=O)NCc1ccc(N2CCSCC2)cc1	751199260	UTRPTRSAOQYAHR-UHFFFAOYSA-N	304.459	3.212	10	20	DGCD	
CO[C@H]1C[C@H](N[C@@H](C)c2cc(Br)cc(C)c2O)C1	858583992	KDWALLYVNWSBTA-DLOVCJGASA-N	314.223	3.291	10	20	DGCD	
CC[C@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(F)cc1O	858478972	FYMSDDQVLFTDOQ-JSGCOSHPSA-N	316.367	3.302	10	20	DGCD	
COC[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccco1	858148512	ZXJGPXPAGYGREG-CQSZACIVSA-N	310.344	3.101	10	20	DGCD	
Cc1cc(CNC(=O)[C@@]2(C)CCOC2)c(C)n1-c1ccccc1	863165935	QCIRYIAFNOLFCS-IBGZPJMESA-N	312.413	3.137	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCCCN1CCCC1	769291047	LXGIPQFSSAOPRK-UHFFFAOYSA-N	318.461	3.397	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(F)cc1C(F)(F)F	767925997	HCIFEYJSQZQWFS-UHFFFAOYSA-N	313.250	3.480	10	20	DGCD	
COC(=O)c1ccc2c(c1)CN(Cc1c(O)cccc1Cl)C2	769371890	UUJSHAPEUKVEPA-UHFFFAOYSA-N	317.772	3.348	10	20	DGCD	
CCOC(=O)CCCCCN1CCOc2cc(N(C)C)ccc21	774751736	HJXWTQOKGPFVJJ-UHFFFAOYSA-N	320.433	3.075	10	20	DGCD	
C[C@@H](NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1O	879648122	ZAFJIQYJEYZTQL-VYDXJSESSA-N	316.445	3.224	10	20	DGCD	
C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1ccccc1O	775969632	YMONDFKVLIQLKS-UONOGXRCSA-N	320.433	3.222	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2N)cc1	1118287435	ZLMAPVQOIUNTHB-MSOLQXFVSA-N	317.477	3.009	10	20	DGCD	
COc1ccc(O)c(CN2CCCc3cc(OC)ccc3C2)c1	775678180	WOZMXXNZWAUGLI-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCC[C@H](C)C1)c1ccccc1O	1116674228	WDYFKAUSHVDCAP-GOEBONIOSA-N	304.434	3.082	10	20	DGCD	
CCNc1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	776270102	PWOYXCAUXJILPK-NSHDSACASA-N	318.446	3.132	10	20	DGCD	
CN1CCN(c2ccc(CNc3nc(Cl)cs3)cc2)CC1	882879879	RGMYVVSZACBEGB-UHFFFAOYSA-N	322.865	3.160	10	20	DGCD	
COc1ccc(CNc2ncc(Cl)cc2C)c(O)c1OC	894571481	RQNZVALVKQCIOJ-UHFFFAOYSA-N	308.765	3.378	10	20	DGCD	
COc1ccc(C2(NCc3cc(C)cc(OC)c3O)CC2)cc1	894230643	SQEHIBZZRXJINF-UHFFFAOYSA-N	313.397	3.497	10	20	DGCD	
C[C@H](NCCN1CC=CCC1)c1cc2c(cc1O)CCCC2	794836190	SNMXCFTZCCCXRU-HNNXBMFYSA-N	300.446	3.184	10	20	DGCD	
CC[C@H](C)[C@H](CNCc1c(O)cccc1Br)OC	706799901	HZNZZVWDPSGZIR-HZMBPMFUSA-N	316.239	3.305	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1CCC(F)(F)C1	1323708193	XGUKMSIDJFQZJF-LURJTMIESA-N	301.680	3.250	10	20	DGCD	
O=C(COc1ccc(F)cc1)Nc1c(Cl)ccc2nonc12	1321103968	ZLBZHCIMLXUOOJ-UHFFFAOYSA-N	321.695	3.033	10	20	DGCD	
COc1nccc2c(NC(=O)Cc3ccc(N)cc3)cccc12	1579325520	MPRSKXJDCGZOCB-UHFFFAOYSA-N	307.353	3.007	10	20	DGCD	
C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)Oc1ccc(N)cc1	1575923865	PGULHKGPOOGUTE-NSHDSACASA-N	301.317	3.222	10	20	DGCD	
C[C@@H](NCc1ccc(C2(C(=O)O)CC2)cc1)c1ccccc1O	1599841755	IHSXRCJOADNEEY-CYBMUJFWSA-N	311.381	3.359	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1776483088	QJBZNWVDNNXRCV-BMIGLBTASA-N	321.323	3.017	10	20	DGCD	
O=C1N[C@@H](c2cc(Br)ccc2O)Nc2ccccc21	41863646	MIQLMOQOXGVYAG-ZDUSSCGKSA-N	319.158	3.009	10	20	DGCD	
CCOc1cccc(CNC(=O)N(C)Cc2ccccc2O)c1	45883315	JDPIEFWQIHKUDS-UHFFFAOYSA-N	314.385	3.133	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)Cc2ccccn2)c1O	50134243	AZYQUFWVKRAMNZ-UHFFFAOYSA-N	304.777	3.275	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(C)cc3)C2)cc1	62574870	GWVGUMXJDCYSFP-INIZCTEOSA-N	324.424	3.260	10	20	DGCD	
COCCCN(C)C(=O)c1sccc1-n1c(C)ccc1C	66338718	MQTVJHKCLHFDTH-UHFFFAOYSA-N	306.431	3.264	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCCc2ccc(C)s2)c1	80028170	YRRVRYYNBPEEHI-UHFFFAOYSA-N	319.426	3.410	10	20	DGCD	
Cc1ncc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)s1	90404238	XRVFMHRXSGNRLZ-CYBMUJFWSA-N	317.458	3.139	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc(SC)cc2)c1O	104986968	UIMBCDAMAZDKMB-UHFFFAOYSA-N	318.398	3.444	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)COc2ccccc2C)cc1F	121829357	CPSUJVHNBDSYLB-HNNXBMFYSA-N	319.376	3.019	10	20	DGCD	
Oc1cccc(Cl)c1CN[C@H]1CCO[C@@]2(CCSC2)C1	151389868	CTQOBBZTVCKXQU-NHYWBVRUSA-N	313.850	3.190	10	20	DGCD	
COCCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1	177886672	YAXQWFOPEVBVNS-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
COC(=O)C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O	179892575	XAWOFLQSFXIKTF-NSHDSACASA-N	318.200	3.227	10	20	DGCD	
COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	182118951	DJAOFKRZYTVJDO-SNVBAGLBSA-N	319.332	3.045	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCCCO1	182193390	KMZPSRSNWKSIFU-INIZCTEOSA-N	320.433	3.273	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c(O)c1O	182452993	ZPJFBVKAUSVANG-ZFWWWQNUSA-N	311.381	3.424	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CC(=O)N(c3ccccc3)C2)c1	185164214	CYCVSHKKYHNJAN-GJZGRUSLSA-N	310.397	3.157	10	20	DGCD	
Oc1ccccc1CN1CCC(O)(c2c(F)cccc2F)CC1	190022189	ABAVOJDLWMFKTC-UHFFFAOYSA-N	319.351	3.154	10	20	DGCD	
O=C(CCc1ccc(O)cc1)NCc1ccc(N2CCCC2)cc1	193477782	POFNQDIWMCTXJC-UHFFFAOYSA-N	324.424	3.241	10	20	DGCD	
C[C@H](NC[C@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1	279687313	ANTJLRKOXZHSIT-UONOGXRCSA-N	324.465	3.066	10	20	DGCD	
C[S@@](=O)C1(CNCc2cc(Cl)cc(Cl)c2O)CCC1	280618981	KVKTVTMHIPYJSM-LJQANCHMSA-N	322.257	3.090	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@H]2CCN(c3ccccn3)C2)c(O)c1	284972328	FVHYROQYVRECDL-CVEARBPZSA-N	311.429	3.334	10	20	DGCD	
CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccccc1O	285859571	ZQMHENDQORFBRN-JJRVBVJISA-N	304.434	3.126	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1c[nH]c2nccnc12	291467640	DOBJDWZULYCGBV-UHFFFAOYSA-N	310.401	3.466	10	20	DGCD	
CCOc1ccccc1NC[C@@H](O)COCc1ccccc1F	322141278	WOGCVPTZUQUBDV-OAHLLOKOSA-N	319.376	3.214	10	20	DGCD	
Cc1c(CNC(=O)CCCOC(C)C)n(C)c2ccccc12	348638347	ZNTRKVXKUATPAW-UHFFFAOYSA-N	302.418	3.308	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CC[C@H]1c1ccc(Cl)cc1	366167474	BLFZSDSJVPKFPJ-ZDUSSCGKSA-N	303.745	3.338	10	20	DGCD	
CCOCc1cc(CN[C@@H]2C[C@]2(C)OC(C)C)ccc1OC	527799480	KWQKVOGLCWSXDM-MSOLQXFVSA-N	307.434	3.277	10	20	DGCD	
Cc1ccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c1	588406062	CMIKSJPDPYNHBL-YVMONPNESA-N	311.381	3.087	10	20	DGCD	
Cc1csc(CNCc2ccc(Br)cc2O)n1	691440266	PHOMENMFJSFFAA-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
CC(C)(CO)CCCNCc1c(O)cccc1Br	706808736	ZCKUUKIODYCJLD-UHFFFAOYSA-N	316.239	3.043	10	20	DGCD	
CCOCCCCNCc1c(O)cccc1Br	706858402	WITIEMNXIOXOSX-UHFFFAOYSA-N	302.212	3.061	10	20	DGCD	
C[C@H]1N(Cc2cc(Br)ccc2O)CCOC1(C)C	708259242	WVXVAYQNTBEKCC-SNVBAGLBSA-N	314.223	3.154	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1nc(C)c(C)s1	734516604	FDHUBUKCMZYADD-UHFFFAOYSA-N	318.446	3.456	10	20	DGCD	
CCc1ccc(O)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1	748837183	FMPKSAVGVAAZOI-UHFFFAOYSA-N	324.424	3.485	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(Br)cc2)c(O)c1O	751533842	SPQGFKPIMFHPGE-UHFFFAOYSA-N	322.158	3.421	10	20	DGCD	
C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1O	756706678	CORNWPIGZUVTIY-LLVKDONJSA-N	320.320	3.169	10	20	DGCD	
C[C@H](NC1COC(C)(C)OC1)c1ccc2ccccc2c1O	757698836	UFASITAHRVSRDE-LBPRGKRZSA-N	301.386	3.348	10	20	DGCD	
C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1O	760049497	GLTOZTSXLBTOGS-RNFRBKRXSA-N	314.159	3.366	10	20	DGCD	
CCC(CC)(CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)O	773895635	BUDQVKZPQDOSJF-CYBMUJFWSA-N	320.433	3.211	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)c1O	775056115	VTWMANYEGBFTAV-YUTCNCBUSA-N	320.389	3.320	10	20	DGCD	
CN1CCN(c2ccc(CN3CCCCCCC3)cc2)CC1	775638822	IGWCTLSRLQYHOD-UHFFFAOYSA-N	301.478	3.205	10	20	DGCD	
Cc1ccc(SCCNC(=O)c2c(F)ccc(O)c2O)cc1	790069188	NJKPWDWWVZQGCX-UHFFFAOYSA-N	321.373	3.067	10	20	DGCD	
O=C1OCCN1c1cc(NCc2ccccc2O)ccc1F	793314722	GWJBOEZSMCALDL-UHFFFAOYSA-N	302.305	3.100	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1CCC(F)(F)CC1	800640566	GWYLPDKHFYQFNC-RQOWECAXSA-N	311.328	3.053	10	20	DGCD	
OCC1CCN(c2ccc(CN[C@H]3CCC[C@H]4C[C@H]43)cc2)CC1	800968939	XVUFQNOEPBLECQ-SXLOBPIMSA-N	314.473	3.174	10	20	DGCD	
CCOc1ccc(CNCCC2C[C@@H](C)O[C@H](C)C2)c(O)c1	801732789	WYDJULALHVTQLO-ZIAGYGMSSA-N	307.434	3.474	10	20	DGCD	
CN(Cc1ccc(O)cc1)Cc1cccc(Br)c1O	809753610	MULWOXLVVPFCSC-UHFFFAOYSA-N	322.202	3.492	10	20	DGCD	
C[C@H](NC[C@H](CO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O	815648712	UONAJKBKEHYNHE-GXTWGEPZSA-N	322.405	3.140	10	20	DGCD	
C[C@H](NCc1cc(Cl)c(F)cc1O)c1nnc2ccccn12	816530434	ICZSIVOLGZVDSQ-VIFPVBQESA-N	320.755	3.078	10	20	DGCD	
C[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C	816564241	YPMQYOWWWXRVFV-MRVPVSSYSA-N	303.761	3.005	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)/C=C\[C@@H]2CCOC2)cc1	822269710	SYTHDRKXAQEFNH-SDMNGIDPSA-N	316.445	3.084	10	20	DGCD	
CN(c1ccc(CNC(=O)CCCCN)cc1)C1CCCCC1	827821307	VMBCVEBLLKBRNG-UHFFFAOYSA-N	317.477	3.201	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1cnc(C)o1	838756826	BYKWATNKZMPJPR-UHFFFAOYSA-N	317.389	3.201	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H](c1ccccc1)N(C)C	841296683	XEKVRXUIDHCAAQ-CXAGYDPISA-N	312.417	3.082	10	20	DGCD	
C[C@@]1(c2ccccc2)CN(C(=O)Nc2ccc(N)cc2)CCO1	841300867	UZFHUNZKVVRTPQ-SFHVURJKSA-N	311.385	3.048	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC(c3ccccc3)CC2)cc1	841961752	HNSPVOLFYQRVQG-UHFFFAOYSA-N	323.440	3.401	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@H](N)[C@H]3C2)cc1	843057391	CXGVBKWHQQDRJB-WDSOQIARSA-N	301.478	3.092	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)C[C@]1(O)CCc2ccccc21	843422148	VDFSVIBIWGSFBF-GOSISDBHSA-N	317.816	3.311	10	20	DGCD	
CCc1cccc(CN2CCN(C(=O)C(CC)CC)CC2)c1O	848881711	RLILDHAHQDDLGX-UHFFFAOYSA-N	318.461	3.035	10	20	DGCD	
COC(=O)C(C)(C)C(=O)[C@H](C)Sc1ncc(Cl)s1	850000494	WYPIZTKGOCGDEU-LURJTMIESA-N	307.824	3.045	10	20	DGCD	
Cc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)c(C)o1	850405856	HXUDPKNUPTXSEV-UHFFFAOYSA-N	314.429	3.147	10	20	DGCD	
CO[C@@]1(C)C[C@H]1N[C@H](C)c1cc(Br)cc(F)c1O	850569740	AKTMIAGCRCSJMT-QUUYKZCZSA-N	318.186	3.122	10	20	DGCD	
CC[C@H](CC(F)F)CN(C)c1ccc(OCC(=O)O)cc1	851705712	TUHSHSOAYXGUEW-LLVKDONJSA-N	301.333	3.268	10	20	DGCD	
NC[C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H]1C(F)(F)F	863646292	ISGYFGSFMYOJON-KOLCDFICSA-N	322.758	3.005	10	20	DGCD	
Cc1nonc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1	872135706	HWJOKRXAJNLOOC-ZDUSSCGKSA-N	300.406	3.219	10	20	DGCD	
CC[C@@](C)(CN(Cc1ccccc1O)C[C@H]1CCCO1)OC	876531418	FXPVABHACSTLKH-AEFFLSMTSA-N	307.434	3.188	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@@H]3C[C@H]3C3CCC3)cc2)CC1	877597874	BLORVJMNBHOYGE-PXNSSMCTSA-N	314.473	3.174	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N1CCc2ccccc2C1	879650066	ZMQJLCVOWTUUQA-CABCVRRESA-N	324.424	3.016	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC1(c2ccccc2)CCOCC1	883017219	BCWNNCQCLUHJPC-UHFFFAOYSA-N	319.351	3.466	10	20	DGCD	
CN(C)CCCC1CCN(Cc2cc(F)cc(F)c2O)CC1	894058799	YJGCUHCTZGNNKO-UHFFFAOYSA-N	312.404	3.224	10	20	DGCD	
COc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)c(O)c1OC	894735450	JMRXNFYJRLVVDH-HOCLYGCPSA-N	303.402	3.030	10	20	DGCD	
COc1ccc(N(CC(C)C)C(=O)/C=C/c2cnn(C)c2)cc1	914528522	BGKCFYHGFLFHJF-BJMVGYQFSA-N	313.401	3.131	10	20	DGCD	
OCC[C@H](CNCc1ccc2c(c1)CCCO2)c1ccccc1	921767174	OICIHFQHLSDPSW-LJQANCHMSA-N	311.425	3.267	10	20	DGCD	
c1cc([C@H]2C[C@@H](NCc3ccc4c(c3)CCCO4)CCO2)ccn1	922164645	WWMYTSWHEWBRSQ-AZUAARDMSA-N	324.424	3.417	10	20	DGCD	
COC(=O)c1cncc(CN(C)c2ccc(OC)c(Cl)c2)c1	929824877	HPFIDZYQHKRXFP-UHFFFAOYSA-N	320.776	3.167	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](F)c1ccccc1	935948871	RQVJQRIGTODWRX-OAHLLOKOSA-N	308.349	3.205	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cnoc2C2CC2)cc1	1116332633	IUJGSXUXBLJQQJ-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCC[C@@H](C)C1)c1ccccc1O	1116674230	WDYFKAUSHVDCAP-ZBFHGGJFSA-N	304.434	3.082	10	20	DGCD	
Nc1ccc(CN(CCCO)Cc2cccc(Cl)c2)cc1	1120263802	VZPDUJSECJCKGK-UHFFFAOYSA-N	304.821	3.307	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)[C@@H](C)O	1345639430	SXSAHHDDASCKIL-HZSPNIEDSA-N	310.869	3.435	10	20	DGCD	
C[C@H](N[C@H](CCN(C)C)C(C)(C)C)c1cc(C(=O)O)ccc1O	1593208876	KIJWOKUZQQQXBR-BLLLJJGKSA-N	322.449	3.107	10	20	DGCD	
C[C@@H](Nc1cnn(C(C)(C)C)c1)c1cc(C(=O)O)ccc1O	1593366716	FMJOYJSUOUMUMY-SNVBAGLBSA-N	303.362	3.215	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1[N+](=O)[O-]	30827800	KJYIPIPLPCGQQB-UHFFFAOYSA-N	311.341	3.447	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccsc1	46038497	UFRXGLFHYRHMLH-UHFFFAOYSA-N	303.431	3.156	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1	78726268	MCQLCULOMXQUEL-UHFFFAOYSA-N	315.413	3.233	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2cc[nH]c2)C1	86254091	XABHNMZNVWVTGY-INIZCTEOSA-N	319.836	3.128	10	20	DGCD	
C[C@@H](c1cccc(O)c1)N(C)Cc1cc2c(cc1O)OCO2	93316106	QAWQOKFMHSYJGM-NSHDSACASA-N	301.342	3.020	10	20	DGCD	
Cc1cc(C(=O)NC[C@H](C)O)c(C)n1-c1cccc(C(C)C)c1	97478044	YSBLWVIFBILWMZ-AWEZNQCLSA-N	314.429	3.328	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C1CCC1	127779523	FFIAGTBEYPABSU-AWEZNQCLSA-N	303.450	3.473	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)C1CCC1	130676068	VHJDBQXBTUDBCH-CYBMUJFWSA-N	301.434	3.057	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H](CN3CCCCC3)C2)cc1F	131157318	GAPCUKCASZRROJ-KRWDZBQOSA-N	319.468	3.200	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@H]1CCOC1	163622097	XCOXOQSGRFMOFT-FUHWJXTLSA-N	320.502	3.145	10	20	DGCD	
CC(C)(CCC(=O)NCc1ccc(O)c(O)c1)c1ccccc1	182520296	NMZHVFXOSMWKDN-UHFFFAOYSA-N	313.397	3.472	10	20	DGCD	
COc1ccc([C@H](O)CN[C@H](C)c2ccc(C)cc2O)cc1	184948799	KQTVFQDLGZFMBV-FZKQIMNGSA-N	301.386	3.093	10	20	DGCD	
COC[C@@H](C)CN[C@@H](C)c1cc(Br)ccc1O	185148354	PQKDAEMJLVZWSY-UWVGGRQHSA-N	302.212	3.088	10	20	DGCD	
Cc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(F)c(F)c1O	187716668	WJDQYGZUEIBVEQ-ABAIWWIYSA-N	307.340	3.363	10	20	DGCD	
Cc1ccc(C(=O)Nc2cnn(C3CCCC3)c2C)c(O)c1O	192977858	PGTJPWOQTSXCME-UHFFFAOYSA-N	315.373	3.279	10	20	DGCD	
COc1cc(N2CCc3sccc3C2)c([N+](=O)[O-])cc1OC	271076777	XENGBPNBHVIBOO-UHFFFAOYSA-N	320.370	3.236	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2nnc3n2CCCCC3)c(O)c1	284191401	RQWKTGGDKWUQRJ-AWEZNQCLSA-N	314.433	3.178	10	20	DGCD	
Cc1cc(O)c(CNc2ccc(OCCCO)cc2)cc1C	285526698	PMCRTDOAWXWWJU-UHFFFAOYSA-N	301.386	3.382	10	20	DGCD	
Cc1cnc(NCc2ccc(N3CCSCC3)cc2)nc1C	301854822	COHZBVRMDXIWAH-UHFFFAOYSA-N	314.458	3.259	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)C3CC3)ccc21	343180357	XJBOUGQSZCOMAU-ZDUSSCGKSA-N	314.429	3.433	10	20	DGCD	
Cc1nc(NCc2c(C)c3ccccc3n2C)c2cnn(C)c2n1	359836067	KYVKMKGRQJSXPX-UHFFFAOYSA-N	320.400	3.084	10	20	DGCD	
CC[C@@H](NCc1cccc(-n2cncn2)c1)c1ccccc1O	363711669	HWVKNYWUANJVGH-QGZVFWFLSA-N	308.385	3.214	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCN3CCC[C@@H]3C2)cc1	370675774	FBZQVDYKSJHZAK-VDZJLULYSA-N	301.478	3.420	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C3CC(C)(C)C3)CC2)cc1	375613494	SGJQLMRXBDDCSU-UHFFFAOYSA-N	316.445	3.170	10	20	DGCD	
C[C@H](NC(=O)c1cc(O)cs1)c1nc2ccc(Cl)cc2[nH]1	732580219	YSFUJXJXVSRDQA-ZETCQYMHSA-N	321.789	3.474	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(C)s2)c1	734065806	IHBKROAKDYAUFQ-NSHDSACASA-N	320.414	3.331	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)cc1O	734406100	OKOZUNSOHIRNAH-UHFFFAOYSA-N	318.804	3.350	10	20	DGCD	
CC(C)C(C)(C)NC(=O)NCc1ccc(N2CC=CC2)cc1	741091943	KXZSVSCQUHSJSB-UHFFFAOYSA-N	301.434	3.297	10	20	DGCD	
Cc1cc(NC(=O)c2cc(O)cs2)cnc1Br	753468878	XTUBCSVRBCDYMJ-UHFFFAOYSA-N	313.176	3.172	10	20	DGCD	
C[C@@H](NC[C@@H](O)CCc1ccccc1)c1ccc(N(C)C)cc1	753762629	JNNDYRCMXINBJT-UZLBHIALSA-N	312.457	3.397	10	20	DGCD	
CO[C@@H](C)CCN[C@@H](C)c1ccc(Br)cc1O	756529950	WJCBPTDOBUUQCT-UWVGGRQHSA-N	302.212	3.230	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCSC(C)(C)C)c1	756681096	FXYOCRIIWFCFDJ-LLVKDONJSA-N	311.447	3.361	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cccc(C(N)=O)c1	766267967	DOPWFGAHVMKGBL-UHFFFAOYSA-N	310.397	3.137	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCc2cccnc21	766684556	MWKBFDUBWXNXEM-GOSISDBHSA-N	323.440	3.192	10	20	DGCD	
COc1ccc(N(C)Cc2cn(C)nc2C(F)F)cc1OC	770647330	FAHUWETUAUZBFN-UHFFFAOYSA-N	311.332	3.011	10	20	DGCD	
COC(=O)c1cc(CN[C@H](C)c2ccc(N(C)C)cc2)oc1C	775832288	XZUTUWMMOLJSRM-GFCCVEGCSA-N	316.401	3.291	10	20	DGCD	
Cc1cccc2c1CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2	779512215	OKOLCLDCQKOXLO-SOFGYWHQSA-N	309.365	3.004	10	20	DGCD	
CN1CC[C@@H]2[C@@H](CCCN2Cc2c(O)ccc(Cl)c2F)C1	809767492	MTDJHSJZKAGEMF-SMDDNHRTSA-N	312.816	3.101	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C3CC3)C2)cc1F	812018568	SEJMSWQJNXSBAW-OAHLLOKOSA-N	319.424	3.223	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H](N3CCCC3)[C@H]2C)cc1	815118156	LALUBYPZQTYZKZ-APWZRJJASA-N	301.478	3.201	10	20	DGCD	
CCOC1(CN[C@H](C)c2cc(C(=O)OC)ccc2O)CCCC1	815644825	NBFQFPFNBGDIST-CYBMUJFWSA-N	321.417	3.179	10	20	DGCD	
CC(C)N1CCCN(Cc2cc(Cl)c(F)cc2O)CC1	816480387	LVSRUOQZVRRJEM-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2cc(Cl)c(F)cc2O)C[C@H]1C	816515145	QTDQMNAASIYZEI-DGCLKSJQSA-N	314.832	3.489	10	20	DGCD	
Oc1c(CN2CCC[C@@H](Cn3ccnn3)C2)ccc2ccccc12	816520871	AFXCHDSNLQBQKV-OAHLLOKOSA-N	322.412	3.049	10	20	DGCD	
CCc1nc2c(s1)[C@H](NCCc1ccc(N)cc1)CCC2	817956087	QHPCESGKXSBKNO-CQSZACIVSA-N	301.459	3.497	10	20	DGCD	
CC[C@H](COCC(F)(F)F)NCc1cccc(Cl)c1O	824555603	VNMADCYCXDCQSM-SNVBAGLBSA-N	311.731	3.493	10	20	DGCD	
Nc1ccc(CCNC(=O)c2cc(C3CCCCC3)[nH]n2)cc1	832658890	GEYUKDCNKXYZQZ-UHFFFAOYSA-N	312.417	3.012	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)C2CC2)cc1	836563859	JJZYWKPTUFNJRX-CQSZACIVSA-N	303.450	3.473	10	20	DGCD	
COc1cccc(CN[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)c1O	839191415	JLEULXPCJTYJDT-HUUCEWRRSA-N	307.434	3.473	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](CO)c2ccc(F)cc2)c1	840882329	SSHPEKUAPQDAGO-ZFWWWQNUSA-N	303.377	3.266	10	20	DGCD	
CCc1ncc(CNCc2cc(Cl)cc(Cl)c2O)cn1	840945258	GPMUEIWPZQTOTC-UHFFFAOYSA-N	312.200	3.341	10	20	DGCD	
Cc1cccc(C(C)(C)NC(=O)NCCc2ccc(N)cc2)c1	841955291	YNWNFNDKVJNFKZ-UHFFFAOYSA-N	311.429	3.354	10	20	DGCD	
Cc1ccc(NC(=O)CN2CCCc3cc(CN)ccc32)c(C)c1	843349697	JCQMDPUIKZJRLZ-UHFFFAOYSA-N	323.440	3.153	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)Nc1nc2c(s1)CCC2	844489201	GEFYIQBNNASBQV-UHFFFAOYSA-N	323.805	3.313	10	20	DGCD	
Oc1ccc(Cl)cc1CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	844584049	LTKRDVQMGUPUAQ-KWBADKCTSA-N	310.850	3.198	10	20	DGCD	
COc1cc(F)c(CNCc2ccc(N(C)C)cc2)cc1OC	845919899	BFFUJQNZBBUKHD-UHFFFAOYSA-N	318.392	3.199	10	20	DGCD	
CC(C)(COCc1ccccc1)NC(=O)c1cc(O)cs1	846654323	HAZLDRJQDTVLKZ-UHFFFAOYSA-N	305.399	3.179	10	20	DGCD	
CCOC(=O)CCN(Cc1c(O)ccc2ccncc12)C(C)C	848501215	GTFTZKAMDOFUEL-UHFFFAOYSA-N	316.401	3.104	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1cccnc1N1CCCC1)CC2	850499917	AHWSDRKVESHSBE-MRXNPFEDSA-N	309.413	3.165	10	20	DGCD	
CC1CC(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	857084582	WWHVWYRJEPOTHF-SLTAFYQDSA-N	306.425	3.359	10	20	DGCD	
Cc1ccc(CNCc2cc(F)c(N(C)C)cc2F)nc1C	858178379	WDKABUZDGHATFV-UHFFFAOYSA-N	305.372	3.332	10	20	DGCD	
O=[N+]([O-])c1ccc(CCNCCCSc2nccs2)cc1	877061353	FPKDLSDZUWQNHE-UHFFFAOYSA-N	323.443	3.366	10	20	DGCD	
COCCOc1cc(C)ccc1CNCc1ccc(C)cc1O	877109460	LSDZSQHKQSFWNL-UHFFFAOYSA-N	315.413	3.324	10	20	DGCD	
Cc1nc(NCc2ccc(N3CCCC3)cc2)ccc1C(=O)O	910287939	ODRKIRPNEPSHNM-UHFFFAOYSA-N	311.385	3.301	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)N1CCCCC1	931785184	PPDNPGOEPWQZIS-UHFFFAOYSA-N	321.384	3.414	10	20	DGCD	
COc1ccc2[nH]c(C)c(C(=O)N(C)Cc3ccccc3O)c2c1	1320011483	BCVDFIAQOZOVIG-UHFFFAOYSA-N	324.380	3.463	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CCCC(F)(F)[C@H]1O	1331382487	LAQRSANQEFQPKX-QHSOUUPTSA-N	311.372	3.387	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCC(C)(C)CC1	1356276364	GGPIWDYAICHVLN-UHFFFAOYSA-N	306.435	3.359	10	20	DGCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CC=CCC1	1602056951	FAQZICMYAKFJFF-LBPRGKRZSA-N	309.793	3.289	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@@H](Cc2ccccc2)C(=O)O)c1O	1610462638	PLDMLGDXDXYYFJ-HNNXBMFYSA-N	319.788	3.140	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)c[nH]1	53661945	UFEFGLDODZFSNR-UHFFFAOYSA-N	305.809	3.396	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccc(F)c1	115282339	NKISAAGKRFONSX-UHFFFAOYSA-N	300.377	3.059	10	20	DGCD	
Clc1cncnc1NCc1ccc(N2CCSCC2)cc1	302520726	BROHYYIPXHKNHV-UHFFFAOYSA-N	320.849	3.295	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)[C@H](O)Cc2ccccc2)c1	186147568	QHJRZWMKNJTLHB-CKFHNAJUSA-N	315.413	3.044	10	20	DGCD	
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2F)cc(C)c1F	184619504	SCOOICHUHHYIBD-UHFFFAOYSA-N	313.325	3.088	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccnc1SC(F)F	77258307	UCUDTRZKUAOFJP-UHFFFAOYSA-N	324.352	3.374	10	20	DGCD	
CC1(C)CCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	315634121	QMHAEJHNUBGOQX-ALCCZGGFSA-N	304.346	3.319	10	20	DGCD	
CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1ccc(N)cc1	319558421	FNNGZEIFNZJGQP-AWEZNQCLSA-N	312.413	3.476	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@H](C)c1ccc2ccccc2c1O	185511441	XSAADLYQDJGYHD-BFQNTYOBSA-N	305.443	3.308	10	20	DGCD	
COc1cccc(CNC(=O)c2cc(C)c(F)c(C)c2)c1O	131481262	IPJJYHFVLXHONT-UHFFFAOYSA-N	303.333	3.087	10	20	DGCD	
Cc1cccc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O	180067786	BAYUXPSARSMERA-OAHLLOKOSA-N	320.433	3.142	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC2CCSCC2)cc1	195472547	PUBSJVFKXGHVIR-UHFFFAOYSA-N	321.490	3.228	10	20	DGCD	
CCCN(Cc1c[nH]nc1-c1cccnc1)c1ccc(CN)cc1	194979284	ACHREABDOWUCGZ-UHFFFAOYSA-N	321.428	3.347	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](CN3CCCC3)C2)cc1	93604548	CCCKEXYUPYQXJN-LJQANCHMSA-N	315.505	3.451	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1	269029836	RXXPZEXEFPNKIJ-HDMKZQKVSA-N	322.518	3.440	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)cc1F	267967830	MUQXRIAYPNJBHA-CYBMUJFWSA-N	322.424	3.165	10	20	DGCD	
CCC(CC)(CCO)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273566034	JOABBSLMFJAJCJ-LBPRGKRZSA-N	310.394	3.140	10	20	DGCD	
COC[C@H](C)[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C	360458183	YBRSTJZBVMHIBL-QWHCGFSZSA-N	302.418	3.022	10	20	DGCD	
C[C@@H](NCCN1CCSCC1)c1ccc2ccccc2c1O	273567839	JWOCFKOIFAGQPI-CQSZACIVSA-N	316.470	3.245	10	20	DGCD	
CCCc1cc(C(=O)NCc2ccc(O)c(O)c2)sc1C	272318758	JYXZOTLZQBUJIG-UHFFFAOYSA-N	305.399	3.350	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1O2	386963600	KNDXXJIRUMAKIA-JEDBISTDSA-N	300.446	3.332	10	20	DGCD	
C[C@H](NCCCNC(=O)/C=C/c1ccccc1)c1ccccc1O	800503882	ALHLIFQXVHHERF-DBTPVHCXSA-N	324.424	3.263	10	20	DGCD	
CCN(Cc1cc(=O)n2cccc(C)c2n1)c1ccc(OC)cc1	299404330	WTOGPOZIHAUGCA-UHFFFAOYSA-N	323.396	3.038	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1cccc(C(N)=O)c1	390293175	IMFLVYZADIMMAV-DOMZBBRYSA-N	310.397	3.138	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC(C2CCC2)C2CCC2)c1	806811600	VBIOBJCQEYEQBF-UHFFFAOYSA-N	318.417	3.169	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)CCCN)c1C	295221567	MTCYYWQPKVEKHB-AWEZNQCLSA-N	313.445	3.260	10	20	DGCD	
Cc1c([C@@H](C)NCCc2ccc(N)cc2)cnn1C(C)(C)C	817956745	BVOJRNKWDYXMNW-CYBMUJFWSA-N	300.450	3.422	10	20	DGCD	
CCC(N)(CC)CN[C@@H](C)c1cc(Br)ccc1O	817960000	JXVBDONKVKLLHS-JTQLQIEISA-N	315.255	3.323	10	20	DGCD	
CC[C@@H](N[C@@H]1CCCNC1)c1cc(Cl)cc(Cl)c1O	817942036	WBUZWFWTQKGDPI-ZWNOBZJWSA-N	303.233	3.492	10	20	DGCD	
CC[C@@H](NC[C@H](O)C(C)C)c1ccc(C(F)(F)F)cc1O	810219974	YYVMCDOHWBJIAN-OCCSQVGLSA-N	305.340	3.469	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCc2cccnc21	816939022	QBHRITFSFVPZTH-MRXNPFEDSA-N	322.408	3.012	10	20	DGCD	
C[C@H](N[C@H]1CCCC[C@@H]1CN)c1cc2c(cc1O)CCCC2	817960152	KYZSKWOMZHTCOU-XCRHUMRWSA-N	302.462	3.439	10	20	DGCD	
CN(CC1=CCSC1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	827807170	ZGHMRYFJYCAALF-UHFFFAOYSA-N	314.794	3.059	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NOCC1CCC1	824111769	MLGFGRWZJVRIDQ-AWEZNQCLSA-N	319.449	3.023	10	20	DGCD	
Oc1ccc(F)cc1CN1CC2(CCC2)[C@@H]1C1CCOCC1	822529821	JTJTTZLJUSHRGD-KRWDZBQOSA-N	305.393	3.312	10	20	DGCD	
CCC[C@@H](NC(=O)NCc1ccc(OC)cc1O)C(C)(C)C	836577365	WVBPAACFJCREFL-OAHLLOKOSA-N	308.422	3.415	10	20	DGCD	
C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccc(Br)cc1O	834915706	SAKSKZRZLNNRLQ-SCVCMEIPSA-N	314.223	3.373	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCCC2(F)F)c1	834885415	KNQJSNDTLOTUDY-CMPLNLGQSA-N	313.344	3.265	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)c2ccccc2F)cc1	905375029	GGMCPVXUHSNSHR-QGZVFWFLSA-N	316.376	3.197	10	20	DGCD	
COC(=O)c1cnc(SC[C@@H](O)[C@@H](C)c2ccccc2)s1	834382641	OJLDZTUCCGAZNY-CMPLNLGQSA-N	323.439	3.186	10	20	DGCD	
Cc1ncc(/C=C\C(=O)NCc2ccc(N(C)C)cc2C)s1	734405037	RASUHKRWGFZBKX-FPLPWBNLSA-N	315.442	3.156	10	20	DGCD	
CC[C@@H](N[C@@H]1CCCN(CC)C1=O)c1cc(Cl)ccc1O	903389744	WMAUISKEPUMMON-ZIAGYGMSSA-N	310.825	3.097	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(CN)cc2)c2c(O)ccc(F)c21	843344082	PPXZWBMDYRJPLI-XHDPSFHLSA-N	300.377	3.328	10	20	DGCD	
C[C@H](NCC1(N(C)C)CC1)c1ccc(Cl)c(Cl)c1O	841764280	VFPCYZSZJHGOPY-VIFPVBQESA-N	303.233	3.444	10	20	DGCD	
Cc1cc(O)c(CNC2CCN(C(=O)C(C)(C)C)CC2)cc1C	742367038	GGHWUISANYWHHH-UHFFFAOYSA-N	318.461	3.136	10	20	DGCD	
COc1ccc(N2CCCN(Cc3ccoc3C)CC2)cc1	840911776	QKZJBRDHBYENIO-UHFFFAOYSA-N	300.402	3.309	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)CC1(C)C	746767696	ZLXHMGGZBAWYIY-ZDUSSCGKSA-N	303.450	3.391	10	20	DGCD	
O=C(CSCc1ccc(F)cc1)NCc1ccccc1O	748354159	FVNUECJBYJAKQI-UHFFFAOYSA-N	305.374	3.081	10	20	DGCD	
CCOc1cccc(CN(Cc2cnn(CC)c2)C(C)C)c1O	846056749	ZHZFXVFPLMVANA-UHFFFAOYSA-N	317.433	3.418	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H](OC3CCC3)C2)c1O	848925072	MHOAIKPGULKCAE-INIZCTEOSA-N	305.418	3.324	10	20	DGCD	
CC(C)C[C@H](CNCc1c(O)ccc(Cl)c1F)C(=O)O	841816238	LKVBVOKYXCFKIS-SECBINFHSA-N	303.761	3.021	10	20	DGCD	
COCC[C@@H](C)CNCc1cc(C)cc(Br)c1O	840955824	XJAVLYOACPSOJV-SNVBAGLBSA-N	316.239	3.225	10	20	DGCD	
COc1cccc(CNCc2ccc3c(c2)CCCO3)c1OC	921558352	XIQOPVJFHXWODM-UHFFFAOYSA-N	313.397	3.319	10	20	DGCD	
CN(C)c1ccc(CNCc2cccnc2N2CCCC2)cc1	850353008	PBOVDBIDRKSUHW-UHFFFAOYSA-N	310.445	3.038	10	20	DGCD	
C[C@H](NC[C@H](O)[C@H](C)c1ccccc1)c1ccc(F)cc1O	850573481	MQUJONXAZGUTOW-VBHSOAQHSA-N	303.377	3.347	10	20	DGCD	
CC(C)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1cnn(C)c1	922891738	XZWOCFYDUFTZQA-QGZVFWFLSA-N	322.403	3.251	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@H]2CCCN2CC(F)F)c(O)c1	858478703	AIVVDRIHRNUGEJ-KBPBESRZSA-N	312.404	3.389	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	929531661	HTDWHYWEGMFINF-WMZOPIPTSA-N	318.461	3.162	10	20	DGCD	
C[C@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O	850556385	KVKOPSZELDPPGB-NWDGAFQWSA-N	324.852	3.343	10	20	DGCD	
CCN(CC)c1ccc(CN(CC(=O)O)CC(C)(C)C)cc1	854244320	ZQXHZYGEBDJBBH-UHFFFAOYSA-N	306.450	3.466	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCOCc2ccccc2)c1	862759201	YILBSENTCCCKGB-UHFFFAOYSA-N	313.397	3.314	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2cccc(F)c2)c1	862758806	MCJNYMIJJRLRHD-CYBMUJFWSA-N	301.361	3.335	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CCC2CC2)c1	768969788	QZCAAMUEQJHHRI-VXGBXAGGSA-N	306.406	3.340	10	20	DGCD	
COc1ccc(CN[C@@H]2CC[C@H]3SCCS[C@H]23)cc1C	762619166	XQCFYZMQZJGLQL-FVQBIDKESA-N	309.500	3.473	10	20	DGCD	
C[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(O)c(O)c2)C1	779516818	ZJVZLEMHBVUWKR-BUUCAEBMSA-N	309.365	3.336	10	20	DGCD	
Cc1cccc(O)c1CN(C)CCCNC(=O)OC(C)(C)C	876755174	SIIFJKCCUUNEAO-UHFFFAOYSA-N	308.422	3.047	10	20	DGCD	
CSC(C)(C)CCNCc1ccc(N2CCOCC2)cc1	876964004	OTEAIQOOPSIYDM-UHFFFAOYSA-N	308.491	3.145	10	20	DGCD	
COc1cc(O)c(CNC2CCC(OC(C)C)CC2)cc1OC	776254048	ZZDQGBOLKLWTMR-UHFFFAOYSA-N	323.433	3.235	10	20	DGCD	
CC(C)OCCCN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773627207	WJPWSIAOPOYNMV-OAHLLOKOSA-N	321.465	3.270	10	20	DGCD	
O=[N+]([O-])c1ccc(CCNCc2cc(Cl)cc(F)c2O)cc1	776174013	XEFBWDKNWVGPBV-UHFFFAOYSA-N	324.739	3.425	10	20	DGCD	
Cc1cc(Br)cc(CN[C@]2(C)CCCOC2)c1O	777507901	RWZQZSMGUHBGAV-CQSZACIVSA-N	314.223	3.122	10	20	DGCD	
COc1cc(N2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC	784227876	XYXFHINSQPTDLI-LLVKDONJSA-N	308.378	3.484	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3nccnc3Cl)C2)cc1	894269912	XGLFYCJUMBHDSP-LBPRGKRZSA-N	318.808	3.077	10	20	DGCD	
Fc1cc(CNc2cncc(Cl)c2)ccc1N1CCOCC1	895878506	BBWVCADQWITBIK-UHFFFAOYSA-N	321.783	3.323	10	20	DGCD	
Cn1cnc(-c2ccc(NCc3c(O)cccc3Cl)cc2)n1	783645478	IELUKHUOIUIMOP-UHFFFAOYSA-N	314.776	3.453	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](c2ccccc2)C2CC2)c(O)c1	794386772	ADHMSWUNFLIPKF-GOSISDBHSA-N	311.381	3.211	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNCCN1CC=CCC1	793321090	ZDMJCYZLGYDJFN-UHFFFAOYSA-N	308.425	3.411	10	20	DGCD	
COc1ccc(CN[C@H]2Cc3[nH]c4ccccc4c3C2)c(O)c1	799735579	ZLMFOXBEWUJSSG-CYBMUJFWSA-N	308.381	3.139	10	20	DGCD	
C[C@@H](Cc1cccnc1)NCc1c(O)cccc1Br	897966781	GTFAKADHFOVGRW-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
Brc1ccoc1CNCc1ccc2c(c1)CCO2	735323096	QRVPMZCCFGXNER-UHFFFAOYSA-N	308.175	3.267	10	20	DGCD	
Fc1cc(CN[C@H]2CCC[C@@H](F)C2)ccc1N1CCOCC1	1326190346	WVXLBQUFAQZJNR-CABCVRRESA-N	310.388	3.033	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNC[C@H]1CCSC1	715786903	BOCCYIUWKKQADU-MRVPVSSYSA-N	320.227	3.137	10	20	DGCD	
COc1cc(C)cc(CNCCCN2CCCC[C@H]2C)c1O	1331527703	CMJWNOHOJJNLNP-OAHLLOKOSA-N	306.450	3.063	10	20	DGCD	
Cc1cccc(CCCN[C@H](C)c2cc(C(=O)O)ccc2O)n1	1600529430	ILVMGVDTLIBLAV-CYBMUJFWSA-N	314.385	3.077	10	20	DGCD	
Cc1oc(/C=C2\SC(=S)N(C3CCC3)C2=O)cc1C(=O)O	1600838207	ONKXGMWBAMSYJF-WDZFZDKYSA-N	323.395	3.040	10	20	DGCD	
C[C@H]1C[C@H](CN(C)Cc2ccc(N3CCCC3)cc2)CCN1	1576597018	CRJNNKMACDDRAZ-FUHWJXTLSA-N	301.478	3.107	10	20	DGCD	
CN(Cc1ccc2ncccc2c1)c1ccc(OCC(=O)O)cc1	1598524408	FEDOMSMMSLQDAS-UHFFFAOYSA-N	322.364	3.335	10	20	DGCD	
C[C@@H](COc1ccccc1)N[C@@H](C)c1cc(C(=O)O)ccc1O	1592782809	MBPSHKDUXAPRPV-STQMWFEESA-N	315.369	3.209	10	20	DGCD	
CC(C)(C)CC[C@@](C)(NCc1cc(F)cc(F)c1O)C(=O)O	1776246835	KYEQGSUVJQEZCW-MRXNPFEDSA-N	315.360	3.430	10	20	DGCD	
COc1ccc2c(c1)CCN2[C@H](C(=O)O)c1ccc(F)cc1C	1777373281	AESXZLUFOUZBNX-KRWDZBQOSA-N	315.344	3.331	10	20	DGCD	
O=C(/C=C/c1cccc(O)c1)NCCCSc1nccs1	153358480	AIFFJYWKJCWYLK-AATRIKPKSA-N	320.439	3.161	10	20	DGCD	
Cc1[nH]c2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2c1C	159127479	DZGIPBPZJGHXQH-UHFFFAOYSA-N	310.353	3.126	10	20	DGCD	
OCC1(NCc2cc(Cl)cc(Cl)c2O)CCCCC1	53096134	OTIHFEGWGWTXFW-UHFFFAOYSA-N	304.217	3.484	10	20	DGCD	
CO[C@@H](C1CC1)[C@H](C)NCc1cc(Br)ccc1O	388233757	NMQCMXJIQZAHKB-LKFCYVNXSA-N	314.223	3.058	10	20	DGCD	
COc1cccc(CNC(=O)c2cc(Cl)ccc2F)c1O	68488978	SOAFCGHHXJHJQS-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CSc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)o1	112241197	MGSFYMWWBCPKIW-UHFFFAOYSA-N	316.426	3.314	10	20	DGCD	
Cc1cc(NCc2ccc(N3CC=CC3)cc2)ncc1[N+](=O)[O-]	301440408	OOAVFSWNCVYAAJ-UHFFFAOYSA-N	310.357	3.287	10	20	DGCD	
C[C@@H](NCCc1ccc2c(c1)OCCO2)c1cc(F)ccc1O	176980635	XZXDLEGXZSFYGM-GFCCVEGCSA-N	317.360	3.196	10	20	DGCD	
O=C(C1CCCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	72622167	VSHPNYLAPYCDQN-QGZVFWFLSA-N	317.429	3.480	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)NCC1(C2CC2)CC1	123934713	PTJQFRARZSCPLC-UHFFFAOYSA-N	314.429	3.260	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCCOC(C)(C)C2)c1O	314217351	AKYDCYQHSAVDJA-UHFFFAOYSA-N	311.809	3.249	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1CCOc2cccc(F)c21	186798517	YLDBWHPSSNENHS-AATRIKPKSA-N	304.346	3.029	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc(F)c(C)c2)c1O	78522166	JUDNIFMBMMHGPW-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CC(=O)Nc1cccc(CN[C@H](C)c2ccc(F)cc2O)c1	185020877	UQPHRLNAQBKULM-LLVKDONJSA-N	302.349	3.341	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccn1	45560307	JFVSZUDNIGMSFL-AWEZNQCLSA-N	312.417	3.050	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)N[C@H](C)c1ccc(N(C)C)cc1	191567307	OQKHJLIHKYHOAO-APWZRJJASA-N	312.457	3.315	10	20	DGCD	
C[C@@H](CN1CCCC1=O)N[C@H](C)c1ccc2ccccc2c1O	193918256	QTZYUANMHPZPBF-UONOGXRCSA-N	312.413	3.207	10	20	DGCD	
C[C@@H](CCO)C1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCC1	273501953	QFLRMNIPQGJKTF-QWHCGFSZSA-N	322.405	3.140	10	20	DGCD	
CC[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1O	285791347	USHYUERWQUBCDO-HUUCEWRRSA-N	303.381	3.383	10	20	DGCD	
CC(=O)C(=O)CSc1nnc(-c2ccc(C(C)C)cc2)o1	289518144	CXZUAZXSROWMNZ-UHFFFAOYSA-N	304.371	3.110	10	20	DGCD	
CC[C@@H](NCc1cnnn1C)c1cc(Cl)cc(Cl)c1O	287168073	CAWIJLGNPBSBNG-GFCCVEGCSA-N	315.204	3.068	10	20	DGCD	
COc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccn1	806665030	FXDWLPWMKYBIQF-LBPRGKRZSA-N	314.389	3.039	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCCC(=O)C(C)(C)C)cc1F	294648391	HHJFIJFFMHWKJP-UHFFFAOYSA-N	322.424	3.293	10	20	DGCD	
CCn1nc(C)c(CN[C@H](C)c2ccc3ccccc3c2O)n1	818345402	MXZVZFZYRYMHBF-GFCCVEGCSA-N	310.401	3.316	10	20	DGCD	
C[C@H](NC[C@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1O	815577976	DYSJEFQHBDEJPU-XPTSAGLGSA-N	303.324	3.223	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C(=O)O)CC[C@@H]2C)cc1F	817881425	RRPAVWBKWIJEAY-ZFWWWQNUSA-N	322.424	3.357	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c1	817939033	XZISWMMIWWMLIE-IFXJQAMLSA-N	313.445	3.112	10	20	DGCD	
COC[C@@H](C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	812461123	HQNCZOABJGSDDG-CABCVRRESA-N	318.461	3.162	10	20	DGCD	
Oc1ccccc1CN(Cc1ccco1)C(=S)NC1CCC1	814191010	FMKGGVPYQUSQJF-UHFFFAOYSA-N	316.426	3.414	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](CC(F)(F)F)C1	817766748	PAHVYSLASLJRRT-QMMMGPOBSA-N	321.270	3.042	10	20	DGCD	
CCc1nnc(CN2C[C@H](C(C)C)Cc3cc(OC)ccc32)o1	817298122	FXTHGILEJAMLIN-CQSZACIVSA-N	315.417	3.476	10	20	DGCD	
O=C(NCc1ccccc1O)NCc1c(F)cccc1Cl	726249211	FZHOVJJMZWWNKR-UHFFFAOYSA-N	308.740	3.184	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC3CC(C(F)F)C3)C2)cc1	822494416	OFXUJMRYCBBZLN-HSBZDZAISA-N	310.388	3.155	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2CCCC2(F)F)c1O	824798280	BPAWGEQTKRBAIN-SECBINFHSA-N	320.723	3.479	10	20	DGCD	
O=C(NCc1ncc(-c2ccccc2)o1)c1cc(O)cs1	732271763	RLJVEPYWADBTTQ-UHFFFAOYSA-N	300.339	3.039	10	20	DGCD	
CCC1CCC(CNC(=O)NCc2cc(OC)ccc2O)CC1	734068574	YWBBKKYYODJKFW-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21	492527869	GJRKTYYQZFNJJK-HSBSLETESA-N	321.380	3.025	10	20	DGCD	
CSC[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839917869	IMBWZRXRRAPOPN-KGLIPLIRSA-N	308.491	3.107	10	20	DGCD	
CCC(C)(C)OCCN[C@H](C)c1cc(C(=O)OC)ccc1O	834916353	WJTSOLBXWPOSCZ-GFCCVEGCSA-N	309.406	3.035	10	20	DGCD	
CCN(CC)C(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1	746297357	VQLRLGQOTNGDEG-UHFFFAOYSA-N	318.398	3.188	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1[C@H]2CCNC[C@H]1CC2	843057308	AXCUAKLYVWKXPM-VXGBXAGGSA-N	301.217	3.025	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1(Cl)CC1	924759428	IZKZTUVQIRDZDR-CQSZACIVSA-N	322.880	3.145	10	20	DGCD	
COc1cc(CN[C@H](C)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1	850160180	QBOIZMZQKMWFES-CHWSQXEVSA-N	307.434	3.213	10	20	DGCD	
Cc1ccc(O)c(CNC2CCN(C(=O)OCC(C)C)CC2)c1	858238078	UBANZEUGXHUNPK-UHFFFAOYSA-N	320.433	3.047	10	20	DGCD	
C[C@H](NCC1CC=CC1)c1ccc(N2CCOCC2)c(F)c1	858462224	SWOWZWJXQIZTPX-AWEZNQCLSA-N	304.409	3.279	10	20	DGCD	
CC[C@@H](O)CN[C@@H](C)c1cc(Br)cc(Cl)c1O	850527841	CCIPYUOIGDMHHN-IONNQARKSA-N	322.630	3.230	10	20	DGCD	
CCOc1cccc(CN[C@@H]2COc3cc(F)ccc3C2)c1O	850382285	QPNRLZJMWVXMPU-HNNXBMFYSA-N	317.360	3.023	10	20	DGCD	
Cc1nonc1[C@@H](C)NCc1ccc(N2CCC(C)CC2)cc1	925008224	XKTWJFHZUSDKQZ-CQSZACIVSA-N	314.433	3.465	10	20	DGCD	
CC[C@@H](C)OCC(=O)NCc1ccc(N2CCCCC2)cc1	751753575	FIVOLCIZDRZCSI-OAHLLOKOSA-N	304.434	3.108	10	20	DGCD	
C[C@H](NC[C@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2	850544670	IKGAPNINGDSPRT-DZGCQCFKSA-N	303.446	3.330	10	20	DGCD	
Cc1cc(CN(C)C[C@H]2C[C@@H](O)C2)ccc1N1CCCCC1	859969690	BPPPXJPNJZOTQZ-HDICACEKSA-N	302.462	3.188	10	20	DGCD	
CC[C@H](Oc1ccccc1F)C(=O)NCc1cc(C)ccc1O	862758151	QJDQTNHPHOGREB-INIZCTEOSA-N	317.360	3.314	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCc3ncsc3C2)cc1F	862336386	GEOVBQKLMVSHDO-UHFFFAOYSA-N	309.385	3.046	10	20	DGCD	
COCc1cc(NCc2cccc(OC)c2O)ccc1OC	865751726	YCXOWCOXAWCMLR-UHFFFAOYSA-N	303.358	3.168	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCC(F)(F)C1	763708666	QUAKTQQFQVXGPH-GFCCVEGCSA-N	324.371	3.258	10	20	DGCD	
O=C1N[C@@H](c2ccc(Br)cc2O)Nc2ccccc21	877842196	ASMQCRLILOEVOL-ZDUSSCGKSA-N	319.158	3.009	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NOC1CCCCC1	777715663	WRJSYHZHADZTBL-UHFFFAOYSA-N	305.422	3.158	10	20	DGCD	
CCOCc1cc(CNC[C@H]2CCC[C@@H]2OC)ccc1OC	774831746	YGQRTXAENZWZCU-WBVHZDCISA-N	307.434	3.136	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2C(C)C)cc1	776042387	OXKNWCFSKBSHCM-KRWDZBQOSA-N	303.450	3.473	10	20	DGCD	
C[C@@H](NC(=O)NC1CCSCC1)c1ccc(N(C)C)cc1	773305715	ITMGDMLLWQGEKK-GFCCVEGCSA-N	307.463	3.008	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CCO)c2cccs2)cc1	773842241	ZBAPMAYNCONOOU-MRXNPFEDSA-N	304.459	3.418	10	20	DGCD	
CC(C)OCCCN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773627203	WJPWSIAOPOYNMV-HNNXBMFYSA-N	321.465	3.270	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccccc2Cl)c1O	774943527	VAPTXDJKKKNSNB-UHFFFAOYSA-N	322.748	3.252	10	20	DGCD	
CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc(O)cs1	776251055	OZZMDRGUCGGESY-OTYXRUKQSA-N	309.362	3.099	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@@H](CC)c1cc(Cl)ccc1O	775554676	CZTXJNRISVEXHI-OFQRWUPVSA-N	313.825	3.280	10	20	DGCD	
Cc1cccc(C[C@H](CO)NCc2c(O)cccc2Cl)c1	786165782	YGXPTCFIGCAXSI-CQSZACIVSA-N	305.805	3.047	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)cc2OC)c1	780935841	MFADRTMABWMZHS-GFCCVEGCSA-N	315.369	3.209	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@@H](C)c2cc(F)cc(F)c2O)cc1	786584861	UXAGJHWVQLOEAK-WFASDCNBSA-N	321.367	3.233	10	20	DGCD	
CN(Cc1cc(F)cc(F)c1O)[C@@H](CCO)c1ccccc1	894025965	AVLAREAZHCMQCL-INIZCTEOSA-N	307.340	3.226	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3ccccc3cc2O)c(O)c1	794376893	LJJWSTBNNONNDN-UHFFFAOYSA-N	323.348	3.190	10	20	DGCD	
COc1ccccc1CN(C)Cc1ccc(OC)c(OC)c1O	891471495	VDKNGURJNSLIRX-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
COc1ccc(CNC(=O)c2cccc(C)c2Cl)c(O)c1	794379924	URUWLNMPIROFID-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
CCc1cccc(CNC[C@H](CC)NC(=O)OC(C)(C)C)c1O	691507968	FUUVOWIJKNGQIJ-HNNXBMFYSA-N	322.449	3.348	10	20	DGCD	
c1ccc(-n2cnnc2NCc2ccc(N3CCCC3)cc2)cc1	1322209780	UBMNABFTIABOIE-UHFFFAOYSA-N	319.412	3.480	10	20	DGCD	
O=C(NCCCSc1nccs1)c1cccc2c1CCN2	1341454467	VPRBEEGTHCJFOS-UHFFFAOYSA-N	319.455	3.023	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2ccc(C(=O)O)[nH]2)cc1	1596290027	WUWSPVPEWINJKT-UHFFFAOYSA-N	315.417	3.191	10	20	DGCD	
CCN1CCc2cc(CNC(C)(C)C[C@@H](C)C(=O)O)ccc21	1776884760	RJXWIDMDWHBHLW-CYBMUJFWSA-N	304.434	3.048	10	20	DGCD	
CCN1CCc2cc(CN3CCC[C@@](CC)(C(=O)O)C3)ccc21	1776876636	OECOIWIUVDNSJL-LJQANCHMSA-N	316.445	3.146	10	20	DGCD	
CCC[C@H]1CN(Cc2ccc(Br)cc2O)CCO1	709022282	UWASKAPDQDUIEZ-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
COCc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1	58768730	INOXFNNKYVNGPB-UHFFFAOYSA-N	324.424	3.145	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccccc2N2CCCC2)c(O)c1O	177667756	MMHZOJILWFXARP-UHFFFAOYSA-N	312.369	3.259	10	20	DGCD	
CCSCC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1	174269804	RTALZVANACACLI-CYBMUJFWSA-N	309.479	3.084	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cc(F)cc(F)c2)c1	114568070	XNNGZJWLIWPMBN-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@H](C)[C@H]1C	118581817	QUOVEJMMOPHHDO-ZIAGYGMSSA-N	321.490	3.096	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC3(CC2)CC3(F)F)c1O	404947528	OKHPTGGSCQPJLN-UHFFFAOYSA-N	313.319	3.355	10	20	DGCD	
CCCOc1cccc(CC(=O)N(C)Cc2ccccc2O)c1	126713951	ZLYZKNNGNMHSNW-UHFFFAOYSA-N	313.397	3.382	10	20	DGCD	
CC(C)[C@@H](O)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	123838128	NAWMRFNJJSVTBH-KSSFIOAISA-N	308.441	3.484	10	20	DGCD	
O=C(N[C@H]1CCSc2ccccc21)c1cccc(O)c1O	186785476	QYZXYPZSCMXEOR-LBPRGKRZSA-N	301.367	3.065	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2)c1	182432590	QPBYCWMCBBYJAA-CHWSQXEVSA-N	314.385	3.079	10	20	DGCD	
Cc1cccc(CN2CCN(CC(F)(F)F)CC2(C)C)c1O	184798744	QYDOUKFYJZXLKM-UHFFFAOYSA-N	316.367	3.159	10	20	DGCD	
C[C@H](NC(=O)c1ccsc1)c1ccc(N2CCOCC2)cc1	145564416	FCMQMFSBXLCFQU-ZDUSSCGKSA-N	316.426	3.076	10	20	DGCD	
COc1cccc([C@@H](C)CC(=O)NCCc2ccc(N)cc2)c1	237303140	DOCNQGSBHSPHPG-AWEZNQCLSA-N	312.413	3.130	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]1C1CCC1	92780973	GLTSBGHMGQDNPD-LJQANCHMSA-N	300.446	3.288	10	20	DGCD	
CCOc1cccc(CCC(=O)N(C)Cc2ccccc2O)c1	528822580	CNNFECCQDFNLGG-UHFFFAOYSA-N	313.397	3.382	10	20	DGCD	
CC(C)c1nnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)o1	263788277	QESYFXWPBHQAFN-UHFFFAOYSA-N	314.433	3.424	10	20	DGCD	
CCOc1ccc(O)c(CNCc2nnc(C(C)(C)C)s2)c1	268232779	UYVKMLWBDHKBBU-UHFFFAOYSA-N	321.446	3.230	10	20	DGCD	
C[C@@H](N[C@H](C)c1ncn(C)n1)c1ccc(N2CCCCC2)cc1	275789632	XANCGFKWSWPGCP-HUUCEWRRSA-N	313.449	3.217	10	20	DGCD	
C[C@H](NCCOCC(F)(F)C(F)F)c1ccc(F)cc1O	278504501	QUUOTMAPCJTZSZ-QMMMGPOBSA-N	313.266	3.099	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](F)C(F)(F)F	277756473	RZMYHFIUSUZQKW-LBPRGKRZSA-N	306.303	3.002	10	20	DGCD	
CC[C@H](NCCCc1nc(C)no1)c1cccc(Cl)c1O	287745059	PVXYSLCFBXXNMP-ZDUSSCGKSA-N	309.797	3.411	10	20	DGCD	
CCN(CC)c1ccc(CNCCN2CCCCCC2)cc1	385924137	YVWDTTKNMDGYDF-UHFFFAOYSA-N	303.494	3.498	10	20	DGCD	
Cc1c(CNC(=O)N2C[C@H]3CCC[C@H]3C2)n(C)c2ccccc12	472234991	ZLMSCPLYZKZALX-GASCZTMLSA-N	311.429	3.428	10	20	DGCD	
COCc1cc(CN[C@H]2CCc3cccc(O)c32)ccc1F	297573415	GUMAWZJVFLMZIB-INIZCTEOSA-N	301.361	3.455	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(C)C)cn2)c1	810347723	LRZNZYDBLRHMRN-GFCCVEGCSA-N	314.385	3.410	10	20	DGCD	
CC[C@H]1CN(Cc2c(O)ccc3ccncc23)C[C@H](CC)O1	817366199	PZYUDUOTMGBCHZ-GJZGRUSLSA-N	300.402	3.330	10	20	DGCD	
CCc1c(Cl)nc(C)nc1NCCc1ccc(O)c(O)c1	811810804	CYZGJOJQAHDDMI-UHFFFAOYSA-N	307.781	3.067	10	20	DGCD	
CC(C)OC(=O)[C@H](C)NCc1cc(-c2ccccc2)ccc1O	825118047	OGRLIDNIFWCTFP-AWEZNQCLSA-N	313.397	3.489	10	20	DGCD	
CCCn1ncc(NCc2cc3c(cc2O)OCO3)c1C1CC1	824631056	VHVRSHZRVTZOTF-UHFFFAOYSA-N	315.373	3.217	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H](c2nncn2C)C(C)C)cc1	903063061	YKYWJMPGAZYUNA-YOEHRIQHSA-N	315.465	3.319	10	20	DGCD	
CCC[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC	834841579	XHRDGKJQTUIUHR-ZBFHGGJFSA-N	324.440	3.128	10	20	DGCD	
Cc1ncccc1C(=O)NCc1ccc(N2CCCCC2)cc1	731005167	MQRXCRNEVOOOIK-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(OC)cc1	746109773	VLIICXSQRWKNHS-RHSMWYFYSA-N	304.434	3.216	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCCCCN	843486366	RGNHGHFCXJXHGK-UHFFFAOYSA-N	319.493	3.399	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H]2C)cc1	914165785	ODEMCUFCLPVGQG-CYBMUJFWSA-N	310.397	3.070	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2cc(C)no2)cc1	845115880	AENJUIPATILKKY-UHFFFAOYSA-N	315.417	3.030	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]([C@@H]2CCNC2)C1	843124631	DQDSIGPUJYVFNU-VXGBXAGGSA-N	312.816	3.006	10	20	DGCD	
CCC(=O)Nc1ccc(NC(=O)NCc2ccccc2O)cc1	748445075	ZNHQFZCCBLZJJO-UHFFFAOYSA-N	313.357	3.062	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1O	842884386	JAKKVTPLHHYNAP-HUUCEWRRSA-N	304.434	3.141	10	20	DGCD	
C[C@H]1C[C@H](Nc2ccc3c(c2)nnn3C)c2c(O)ccc(F)c21	842900491	IYGYDIGIVMONDH-ZANVPECISA-N	312.348	3.473	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](CCO)C2CCCCC2)c1O	846143946	BHUMHSUQSKNHBI-CJNGLKHVSA-N	307.434	3.383	10	20	DGCD	
Nc1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3)C2)cc1	841300811	VMMOUHZRNBLCQC-INIZCTEOSA-N	310.401	3.059	10	20	DGCD	
CC/C=C(\C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920881319	SZBKSBMBIHSHBO-ZXZGFYSFSA-N	302.418	3.057	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C3CCCCC3)C2)c1	850537890	AVRUUCKBDNQMQE-LSDHHAIUSA-N	318.461	3.458	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2cn(-c3ccccc3)nn2)c1	756742834	PSWHXHNTXPPNHK-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
COc1ccc(F)c(CN[C@@H](C)c2cccc(OC)c2O)c1	857081167	MMRSCFIEJJNKLV-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]2C[C@H]2C1	852385733	SQWNKGQGDONPJB-XIRDDKMYSA-N	315.461	3.043	10	20	DGCD	
C[C@H](NC[C@@H](O)[C@H](C)c1ccccc1)c1cc(F)cc(F)c1O	850574643	ZXQDAALQVVJWIR-BWACUDIHSA-N	321.367	3.486	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2cnn(C(C)C)c2)c1	858213938	HDIYLBSXOHWDOB-CYBMUJFWSA-N	316.405	3.038	10	20	DGCD	
O=C(/C=C/c1cccnc1)N(CC(F)(F)F)c1ccccn1	751108776	UAYRFXUNOLHXOO-VOTSOKGWSA-N	307.275	3.085	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1F	852084193	LWZURCBBQWZAGV-HUUCEWRRSA-N	319.424	3.223	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@@]2(C)C(=O)O)cc1	756390690	VVCWHUXXCAYVFN-SJLPKXTDSA-N	304.434	3.266	10	20	DGCD	
C[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)c1nccs1	868498121	IYJWYFBRFPNIPJ-WDEREUQCSA-N	305.403	3.013	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCN(Cc2ccccc2)C1	766028781	FXZWNZJQZSSGHB-FQEVSTJZSA-N	323.484	3.425	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(Cc2ccccc2)C1	766028782	FXZWNZJQZSSGHB-HXUWFJFHSA-N	323.484	3.425	10	20	DGCD	
COCc1ccc(CN(C)c2ccc(OCCN(C)C)cc2)o1	761221424	MPFRQSOLQLTTFS-UHFFFAOYSA-N	318.417	3.003	10	20	DGCD	
Cc1ccc(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1	877659877	FUBRWHBHIKWKJN-CYBMUJFWSA-N	308.422	3.046	10	20	DGCD	
CCc1ccnc(C(=O)NCc2c(O)ccc3c2CCCC3)c1	775542150	IORQGZOSSJVDAI-UHFFFAOYSA-N	310.397	3.158	10	20	DGCD	
CCC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O	775058980	FYOVGQBVOQCXGE-ZDUSSCGKSA-N	308.378	3.464	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2cccnn12	777854076	WDFSORXESJPLPB-UHFFFAOYSA-N	322.412	3.063	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)/C=C\c2nccs2)cc1	1121020877	WMMYOLVYSGGNJO-KTKRTIGZSA-N	315.442	3.319	10	20	DGCD	
Cc1noc([C@@H]2CCCCN2Cc2cc(F)cc(F)c2O)n1	894756074	FYZLQYFGMYLOSU-ZDUSSCGKSA-N	309.316	3.089	10	20	DGCD	
COc1ccc(CNCC(F)(F)c2ccccc2)c(O)c1OC	893956503	DNTORFBPJRCZOM-UHFFFAOYSA-N	323.339	3.291	10	20	DGCD	
CCCC[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	799858028	YYCVNMNXWPABGC-OAHLLOKOSA-N	304.434	3.170	10	20	DGCD	
COC[C@H](CO)NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	793324858	NDALEONZSHVRSE-HNNXBMFYSA-N	323.477	3.084	10	20	DGCD	
CC[C@H](NCc1ncccn1)c1cc(Br)ccc1O	702331303	SYLHOXOPTBWGLW-LBPRGKRZSA-N	322.206	3.186	10	20	DGCD	
C[C@@H](N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	686281609	VYSFQCFYPWEOKN-CHWSQXEVSA-N	320.433	3.298	10	20	DGCD	
CCN(Cc1cccc(Br)c1O)C[C@@H]1CCOC1	768521448	QRMZTGLFZZRFKC-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](O)CSc1ncc(C(=O)O)s1	1609808318	XAKTZTBVDBRDEY-GXSJLCMTSA-N	309.412	3.098	10	20	DGCD	
Cc1ncccc1/C=C\C(=O)N1CCCc2c(C(=O)O)cccc21	1610566742	XDCONPGZQBDUMB-KTKRTIGZSA-N	322.364	3.081	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCN[C@@H](C)C1	1579673630	AFVZIBASLKJTNG-FZMZJTMJSA-N	317.458	3.026	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(C(=O)O)CC[C@@H](C)CC2)cc1	1596197923	UDWDMAVDBZTBPP-PPUGGXLSSA-N	304.434	3.266	10	20	DGCD	
CCN1CCCc2cc(CNC[C@@](C)(CC)C(=O)O)ccc21	1776875959	DJCZJSNOPWVFFE-GOSISDBHSA-N	304.434	3.050	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@@](C)(C(=O)O)C2)cc1	1776861198	NTQQEUGXJSHIAL-CRAIPNDOSA-N	304.434	3.266	10	20	DGCD	
C[C@H](OC1CCCCCC1)C(=O)NCc1ccc(N(C)C)cc1	159013660	GTQAIOZCSSUDFA-HNNXBMFYSA-N	318.461	3.497	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H](C)CNC(=O)OC(C)(C)C)c1	227686809	JZIKRHSPFKMVSO-OLZOCXBDSA-N	308.422	3.264	10	20	DGCD	
CCc1cc(CN2CCO[C@H](COC)C2)c(O)c(C(C)(C)C)c1	172920025	QYWFOQHGIUKCGR-INIZCTEOSA-N	321.461	3.099	10	20	DGCD	
CC[C@H](NC(=O)N(C)Cc1ccccc1O)c1nc(C)cs1	105306283	DLXURERNXBIIRK-ZDUSSCGKSA-N	319.430	3.450	10	20	DGCD	
CCn1cc(C(=O)NCc2cc(OC)ccc2O)c2ccccc21	172042728	DLZALJFXEBHMMV-UHFFFAOYSA-N	324.380	3.305	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)CC(C)(C)O)c1C	176897832	VSAXDZPKZHOJJB-UHFFFAOYSA-N	314.429	3.245	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccccc1	173184561	BMJLWRXXEPDHPJ-UHFFFAOYSA-N	310.397	3.111	10	20	DGCD	
CCC1(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)CCC1	177385763	XSXREPQJNKIMAS-GFCCVEGCSA-N	306.406	3.341	10	20	DGCD	
C[C@H](N[C@@H](C)c1cccnc1)c1ccc(N2CCOCC2)cc1	112536847	XCHZQODFEIIBPO-HOTGVXAUSA-N	311.429	3.330	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCOC3(CCCCC3)C2)c1O	175739479	FYOOJOJNDVLVPR-UHFFFAOYSA-N	321.392	3.269	10	20	DGCD	
C[C@@H](O)C[C@@H]1CCCN1Cc1cc(C(C)(C)C)cc(O)c1O	305251150	KEMMOOLRUYONFP-DOMZBBRYSA-N	307.434	3.131	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC)c(OC)c2)cc1	67984597	ODLGZSACZWYQHI-UHFFFAOYSA-N	315.369	3.127	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(SC)cc1	189430654	RGVQRALAWYSBMT-UHFFFAOYSA-N	323.439	3.477	10	20	DGCD	
CC[C@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CCS1	317145308	IAPRPWZIBLABTO-RNZFLTOJSA-N	322.386	3.024	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](CCO)c2ccccc2)c1	185525436	XFOMPDLSWNJUES-HOCLYGCPSA-N	315.413	3.218	10	20	DGCD	
C[C@H](NCCc1ccccn1)c1ccc(Br)cc1O	184839412	ONYGOPXPSQWXRD-NSHDSACASA-N	321.218	3.443	10	20	DGCD	
C[C@H](NCc1ccccc1CN1CCCC1=O)c1ccccc1O	183409657	QGJIRGVNOFOJNI-HNNXBMFYSA-N	324.424	3.365	10	20	DGCD	
COc1ccc(O)c(CN2C[C@@H](C)OC[C@H]2c2ccccc2)c1	180443453	PVBMZKRVASENFX-KDOFPFPSSA-N	313.397	3.363	10	20	DGCD	
Oc1ccccc1CN(C[C@@H]1CCC=CO1)C[C@H]1CCCO1	193605422	AENZKKSRNXWOJH-DLBZAZTESA-N	303.402	3.066	10	20	DGCD	
COc1ccc(N2CCCN(Cc3cccc(O)c3)CC2)cc1	92380804	MRDBMJKGRUFKBK-UHFFFAOYSA-N	312.413	3.113	10	20	DGCD	
Cc1cc(O)c(CNC2CCN(CC(F)(F)F)CC2)cc1C	266170603	BZONYHWYSKQORA-UHFFFAOYSA-N	316.367	3.125	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)cc1C	267251120	ZLEKLLVGRZDITA-SCLBCKFNSA-N	303.377	3.360	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	273386002	JLXMQKMZMNCMOF-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
CC(C)[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CS1	277110383	HYXLSVFRKWYMLC-FUHWJXTLSA-N	320.502	3.143	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@@](O)(c2ccc(F)cc2)C1	378517110	JCKWPLAOWBOJJB-KRWDZBQOSA-N	321.779	3.278	10	20	DGCD	
CCN(C[C@H](C)OC)C(=O)NCc1c(C)c2ccccc2n1C	464318374	GUBCBEAPFKGVPE-ZDUSSCGKSA-N	317.433	3.053	10	20	DGCD	
CN1Cc2ccccc2[C@H](NCc2ccc(N(C)C)c(F)c2)C1	378276433	ZBSLOIUOZOLHLE-GOSISDBHSA-N	313.420	3.168	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1O	287314452	DAZQVOGYGKCYFH-UONOGXRCSA-N	310.825	3.096	10	20	DGCD	
O=C(Nc1nc(-c2ccccc2F)co1)c1cccc(O)c1O	373647185	KVHDWRHTHGBGJR-UHFFFAOYSA-N	314.272	3.144	10	20	DGCD	
OC[C@]1(c2ccccc2)CCN(Cc2cccc(Cl)c2O)C1	291302203	QRUWOLBLHVGZRF-SFHVURJKSA-N	317.816	3.182	10	20	DGCD	
CC[C@@H](C)[C@@H](OC)C(=O)NCc1cc(Cl)cc(Cl)c1O	807838911	SZUDWRBCNQGLKR-AMIZOPFISA-N	320.216	3.376	10	20	DGCD	
COc1ccc(CNCc2cccc(OC)c2O)c(Cl)c1	809739998	JSHCGRULZTXWNP-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
COc1ccccc1C[C@@H](C)CC(=O)NCc1ccc(N)cc1	296818419	AJQKDZAINJWFDM-CQSZACIVSA-N	312.413	3.163	10	20	DGCD	
CC(C)(CO)[C@H](NCc1cc(F)ccc1O)c1cccs1	296060853	QMHJTNUQEBDDBF-OAHLLOKOSA-N	309.406	3.442	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1CCn2cncc2C1	811515406	SGVYFYJVOAJLLD-UHFFFAOYSA-N	305.381	3.272	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[C@H](OC)C1	814640631	MRSODCQPKXBDNC-WMZOPIPTSA-N	318.461	3.306	10	20	DGCD	
CC[C@H](NCCc1ccc(N)cc1)c1ccc2c(c1)OCCO2	817955689	FOFLRRLBTLFIAK-KRWDZBQOSA-N	312.413	3.323	10	20	DGCD	
O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc(O)cs1	829176169	RVOLFFYPUJDDML-UHFFFAOYSA-N	321.373	3.029	10	20	DGCD	
CC[C@H](C)n1nc(C(=O)N[C@H](C)c2ccccc2O)cc1C	827940500	DQNCCVDBDARFDE-WCQYABFASA-N	301.390	3.359	10	20	DGCD	
CC(C)c1ocnc1C(=O)NCc1ccc(N2CCCC2)cc1	731878173	UCTSXAHRWJGDLI-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
Cc1ccc(N)cc1C(=O)NCc1c(O)ccc2c1CCCC2	830597965	XAPGBWHVGAJUSQ-UHFFFAOYSA-N	310.397	3.092	10	20	DGCD	
Cc1nc(NCc2ccc(N(C)C)cc2)cc(C(F)(F)F)n1	914863493	YFKHSYIDEPALHL-UHFFFAOYSA-N	310.323	3.482	10	20	DGCD	
Cn1cccc1CNC(=S)Nc1cccc(Br)c1	743061320	IDFIFNZJQIWNKR-UHFFFAOYSA-N	324.247	3.274	10	20	DGCD	
CCc1cccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O	848913251	SKYMMUGNWYXYJY-SJLPKXTDSA-N	301.430	3.488	10	20	DGCD	
CCCCn1ncc(-c2nc(Cc3ccc(N)cc3)no2)c1C	843160313	HIFLGUSJBAIQLC-UHFFFAOYSA-N	311.389	3.215	10	20	DGCD	
COc1cc(CN2CC3(CCOCC3)C[C@H]2C)c(O)cc1C	842637793	FOBDUEVNSHFGAD-CQSZACIVSA-N	305.418	3.100	10	20	DGCD	
CCN(CC)CCOCCN[C@@H](C)c1ccc(Cl)cc1O	841753184	KXCGXXMJSUOODM-ZDUSSCGKSA-N	314.857	3.055	10	20	DGCD	
Cc1ccc(CNC(=O)NCc2cc(Cl)ccc2O)nc1C	845253199	DEBHHAQNBYVOMV-UHFFFAOYSA-N	319.792	3.057	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1	844856869	NYVFELYPTFAMOA-RVKKMQEKSA-N	316.445	3.026	10	20	DGCD	
COc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2)c1	742390086	HRDHPOXBWMKCNN-UHFFFAOYSA-N	301.346	3.282	10	20	DGCD	
C[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1O	841746999	MNQQYBZKLHCJKC-SNVBAGLBSA-N	314.813	3.221	10	20	DGCD	
CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CC1(C)C	841890738	KAZUZURKVHMNSG-NEPJUHHUSA-N	308.378	3.223	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cccc3c2CCC3)cc1	844901743	JTSXMHBMZIUBGG-HXUWFJFHSA-N	309.457	3.031	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCOC3(CCOCC3)C2)c(O)c1C	756764428	IYWOCEYUKBNVRD-HZPDHXFCSA-N	319.445	3.388	10	20	DGCD	
CCOC(=O)c1cnc(N[C@@H](C)c2cc(OC)ccc2O)s1	853269397	PTOJBFBVDVALBF-VIFPVBQESA-N	322.386	3.207	10	20	DGCD	
CC(C)C[C@H](CNCc1cc(Cl)cc(F)c1O)CC(=O)O	854244128	QVLPCGVQZQOOAL-JTQLQIEISA-N	317.788	3.411	10	20	DGCD	
CC(C)CCOCCN(Cc1ccccc1O)C[C@@H]1CCCO1	755943561	LJPGHLNNFJTVEA-SFHVURJKSA-N	321.461	3.436	10	20	DGCD	
C[C@H](N[C@@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1O	760049494	GLTOZTSXLBTOGS-NKWVEPMBSA-N	314.159	3.366	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(c3ccccn3)CC2)cc1	864926525	JGEYDDDMTFEXQV-UHFFFAOYSA-N	323.440	3.276	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2nc3c(s2)CCCC3)c1	860268423	NTNGFROVQLRAHQ-UHFFFAOYSA-N	317.414	3.358	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)c1cccc(F)c1	765758287	UYKPOQFHKYFIAN-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCC(C)(C)C2)c1	768765678	FTOXGGKOBUSMGO-NEPJUHHUSA-N	306.406	3.340	10	20	DGCD	
CN1Cc2ccccc2[C@H](NCc2cc(Cl)cc(F)c2O)C1	776254414	UZXXDLAYVWWIHG-MRXNPFEDSA-N	320.795	3.461	10	20	DGCD	
C[C@H]1[C@@H](C)N(Cc2ccccc2O)CCN1C(=O)OC(C)(C)C	779105769	FJWCSVNYZVPOAW-KGLIPLIRSA-N	320.433	3.222	10	20	DGCD	
COC(=O)c1cc(CN(C)Cc2ccc(C)cc2O)oc1C	876554663	DELYIKRAPHUBIV-UHFFFAOYSA-N	303.358	3.021	10	20	DGCD	
C[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@@H](C)S1	773624473	MOEGYEHZLSWTRP-MJBXVCDLSA-N	321.490	3.349	10	20	DGCD	
c1ccc([C@H]2CCN2Cc2ccc(N3CCOCC3)cc2)cc1	771939304	PUHFCWNJXOGHEB-HXUWFJFHSA-N	308.425	3.470	10	20	DGCD	
CS[C@@H](C)CCC(=O)NCc1c(O)ccc2c1CCCC2	773478069	YYCSVXYWZSLYPD-LBPRGKRZSA-N	307.459	3.419	10	20	DGCD	
C=C/C=C\CCNC(=O)N(CC)Cc1ccc(N(C)C)cc1	883912942	HLPYKZZGKGSUMN-FPLPWBNLSA-N	301.434	3.416	10	20	DGCD	
COc1ccc(CNc2ccc3c(c2)COC3)c(O)c1OC	893223913	QBOMCZGELKXUAR-UHFFFAOYSA-N	301.342	3.052	10	20	DGCD	
COc1cc(C)cc(CN2CCCCC[C@@H]2C[C@@H](C)O)c1O	894748837	XPNBCCMUQLZRHT-GDBMZVCRSA-N	307.434	3.225	10	20	DGCD	
COCCN(Cc1cc(C)ccn1)c1ccc(OC)c(OC)c1	792253409	ATIKSHINVOTQPB-UHFFFAOYSA-N	316.401	3.060	10	20	DGCD	
CC[C@H](NC[C@H](CO)Cc1ccco1)c1ccc(F)cc1O	796795964	FSOPGZFDZZFOCR-WBMJQRKESA-N	307.365	3.016	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)c(O)c1O	792803935	XIBCWCTVQIZRGM-GFCCVEGCSA-N	317.389	3.462	10	20	DGCD	
O=S(=O)(CCc1cccc(Cl)c1)Nc1ccc(O)cc1	795276278	ONTXSEQSZNYRIA-UHFFFAOYSA-N	311.790	3.030	10	20	DGCD	
COc1ccc(N(CCC(C)C)CC(=O)N2CCCC2)cc1	796502908	GDDVSWRTDXCTKX-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
CN(C)c1ccc(/C=C/c2n[nH]cc2C=O)c(C(F)(F)F)c1	794935014	PAGYQWWCVGTBSO-GQCTYLIASA-N	309.291	3.477	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCN(C)CC(F)(F)F	1321022757	ICOYIDNJZZXWDJ-VXGBXAGGSA-N	316.367	3.333	10	20	DGCD	
Cc1cncc(/C=C/C(=O)Nc2c(Cl)ccc3nonc23)c1	1323420841	ZEDLYWRTIMVNDO-GORDUTHDSA-N	314.732	3.232	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1	1335525996	RBHCFAFQPFOOHS-CZIWCDLHSA-N	313.376	3.153	10	20	DGCD	
CC[C@H]1CN(Cc2cccc(Br)c2O)C[C@H](C)O1	92487299	MLRFBAJCIZFPNH-JQWIXIFHSA-N	314.223	3.154	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC(NCC2CC2)CC1	1349319699	PDDQZGVPDUVTIA-UHFFFAOYSA-N	313.489	3.251	10	20	DGCD	
COCc1nocc1C(=O)Oc1ccc2c(c1)c(C)c(C)n2C	1348241722	JWMHHKNLIVXRAX-UHFFFAOYSA-N	314.341	3.149	10	20	DGCD	
CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CCO1	1346406531	XVKZAZIEALRNFR-DLBZAZTESA-N	319.449	3.052	10	20	DGCD	
C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(N3CCCC3)cc2)C1	1346845634	BJKOJDDYILSWLK-CECAUBDESA-N	320.502	3.066	10	20	DGCD	
NC[C@@]12CCCC[C@H]1CN(Cc1c(O)ccc(Cl)c1F)C2	1580256857	YNHAUXUQZFHCCC-MEDUHNTESA-N	312.816	3.136	10	20	DGCD	
CC[C@H](NCc1cccc(OCC(=O)O)c1)c1ccccc1O	1595304850	JKDRBIDXTZOASP-INIZCTEOSA-N	315.369	3.097	10	20	DGCD	
C[C@H](Cc1ccc(NCc2cccc(F)c2O)cc1)C(=O)O	1592877379	LANPVKAXTWTYPI-LLVKDONJSA-N	303.333	3.407	10	20	DGCD	
CN(C)c1ccc2c(c1)CN(CCCCCC(=O)O)CCC2	1777041265	WQAIBHHCBOSMOQ-UHFFFAOYSA-N	304.434	3.146	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)NCc2sccc2C)cc1	150727820	YFHRBTUVVMHMDB-UHFFFAOYSA-N	318.442	3.208	10	20	DGCD	
C[C@@H](N[C@@H](CO)Cc1ccccc1)c1cc(Cl)ccc1O	158245511	IWKJYHXPTOYBNS-IUODEOHRSA-N	305.805	3.300	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC1C[C@@H](C)O[C@H](C)C1	154907525	LIRHKOLVWPPFIB-ZIAGYGMSSA-N	320.433	3.270	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Cl)cc1	41374101	HKNYTWCJUWKLHR-UHFFFAOYSA-N	316.788	3.429	10	20	DGCD	
CCO[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	42423871	AYCITAFVOIDFKU-CQSZACIVSA-N	311.809	3.249	10	20	DGCD	
C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(N2CCOCC2)cc1	68512948	AZVDVOBXPJUUPF-HOTGVXAUSA-N	314.429	3.057	10	20	DGCD	
C[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C[C@@H]1n1ccnc1	121625056	ZRJPDYFRFXXKFM-KSSFIOAISA-N	311.429	3.161	10	20	DGCD	
C[C@@H](N[C@H](C)c1nccs1)c1ccc(N2CCOCC2)cc1	153301571	ZJEWSIXKBZEAAJ-ZIAGYGMSSA-N	317.458	3.392	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCc2cn[nH]c2C)cc1	177853009	QWABENXYDFLUIC-AWEZNQCLSA-N	300.450	3.458	10	20	DGCD	
COCC1=CCN(Cc2c(O)ccc3ccc(OC)cc23)CC1	185054542	WWMLGHMRPRNHKW-UHFFFAOYSA-N	313.397	3.333	10	20	DGCD	
CCOC(=O)C[C@@](C)(NCc1cc(OCC)ccc1O)C(C)C	185234872	YRBFREPNAXTAGU-GOSISDBHSA-N	323.433	3.248	10	20	DGCD	
CCOC(=O)C[C@](C)(NCc1cccc(OCC)c1O)C(C)C	185236477	VCUGASIIIKMFFV-SFHVURJKSA-N	323.433	3.248	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@]2(CO)CC(C)C)c1	188040427	LJPINGGOLMPEKP-SFHVURJKSA-N	307.434	3.164	10	20	DGCD	
CN(Cc1ncnn1C)c1ccc(OCc2ccccc2)cc1	189644920	JROYLCUSEQZZNI-UHFFFAOYSA-N	308.385	3.031	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1ccon1	265780144	FVXUBENXCSDLNO-UHFFFAOYSA-N	315.398	3.416	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(Oc3ncccc3F)CC2)c1	278272768	PBFZRVPHYCNGPL-UHFFFAOYSA-N	316.376	3.278	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C2CC2)[C@@H](C)C2CC2)c1O	278284122	UAQZPNJTXPADLX-JTQLQIEISA-N	306.362	3.072	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1CCCc2ccc(F)cc21	280965204	SOWQLFMNSYMSAQ-INIZCTEOSA-N	314.360	3.408	10	20	DGCD	
Cc1nnc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1	288413350	NLPHRRPGCHBDPU-LLVKDONJSA-N	324.331	3.060	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)CCCCN)c(C)n1-c1ccccc1	292826450	BGFPAEKXHXXWCL-CQSZACIVSA-N	313.445	3.341	10	20	DGCD	
CC(C)COc1ccc(CC(=O)NCc2ccc(N)cc2)cc1	297148263	INKTYIWVTXOOHM-UHFFFAOYSA-N	312.413	3.163	10	20	DGCD	
Cc1nc(C2(NCc3ccc(N(C)C)cc3)CCCCC2)no1	299576927	HTXYKMOTUGJKCD-UHFFFAOYSA-N	314.433	3.393	10	20	DGCD	
COC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)nc1C	302006520	UGRYEXOHBGBYMH-UHFFFAOYSA-N	313.401	3.163	10	20	DGCD	
Cc1c(CNC(=O)C[C@H](C)c2cnn(C)c2)n(C)c2ccccc12	412314359	WSACNYWBFFNOHC-ZDUSSCGKSA-N	324.428	3.030	10	20	DGCD	
COc1cccc([C@@H](CNCc2cc(C)c(C)cc2O)OC)c1	527736452	LWICRJSLWWMIJW-LJQANCHMSA-N	315.413	3.495	10	20	DGCD	
CN1CCCc2cc(CNC[C@@H](O)c3cccc(F)c3)ccc21	727645087	YHBXBMKMVMVARY-LJQANCHMSA-N	314.404	3.031	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2cc(O)cs2)C2CC2)cc1	732270071	YWAMQYPKTZHMIB-UHFFFAOYSA-N	316.426	3.325	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)c2cccc(Cl)c2)c1	743410896	RAWBLMLHPQAUCW-NSHDSACASA-N	319.788	3.474	10	20	DGCD	
Cc1cc(C(=O)COC(=O)c2cc(O)cs2)cc(C)c1F	745002523	LGMKANUCFUSDSC-UHFFFAOYSA-N	308.330	3.249	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCc2cccc(C)c2)c1	756511212	MIKBCDLZWTWLFC-AWEZNQCLSA-N	313.397	3.381	10	20	DGCD	
C[C@H]1C[C@H](N[C@@H](CO)c2ccccc2)c2c(O)ccc(F)c21	756653818	HDTJTWQPBFDWFW-CQDKDKBSSA-N	301.361	3.403	10	20	DGCD	
COc1ccc2c(c1)N(C(=O)/C=C\c1cccnc1)CCCC2	757181096	DQQPVUNUISTWFY-YFHOEESVSA-N	308.381	3.473	10	20	DGCD	
Cc1ccc([C@H](C)Nc2ccc3c(c2)C(=O)NCC3)c(O)c1C	757613435	RPFKDZJAJZGCPV-ZDUSSCGKSA-N	310.397	3.468	10	20	DGCD	
CSc1cccc(NC(=O)COc2ccc(N(C)C)cc2)c1	757705218	RGICSXOXLGLPSU-UHFFFAOYSA-N	316.426	3.492	10	20	DGCD	
CCOc1cccc(CN(C)[C@H]2C[C@H](OCC)C2(C)C)c1O	769472907	KRVJSMPDFOSTOR-HOTGVXAUSA-N	307.434	3.426	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)o1	770829768	DGGMBRSSFINQIT-UHFFFAOYSA-N	312.369	3.012	10	20	DGCD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	779527188	CNHCIJSXXZVVTK-QZWGFMDZSA-N	303.402	3.442	10	20	DGCD	
Cc1ncc(CCNCc2c(O)ccc(Cl)c2F)s1	790982856	KYXNJNAGZWFGSL-UHFFFAOYSA-N	300.786	3.282	10	20	DGCD	
CCN(Cc1cc(OC)c(OC)cc1O)[C@@H](C)C(F)(F)F	794676238	FPXLRDIQNQMNJO-VIFPVBQESA-N	307.312	3.182	10	20	DGCD	
COC(=O)c1ccc(NCc2cc(C)c(C)cc2O)cc1OC	794973988	YYEUIBVGTJBFMT-UHFFFAOYSA-N	315.369	3.416	10	20	DGCD	
CC1=C(Br)CN(Cc2cc(F)ccc2O)CC1	797604809	CVNOSFQRWLETHB-UHFFFAOYSA-N	300.171	3.406	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCO1	798459963	PMRPCMJTLUDCOQ-RHSMWYFYSA-N	319.449	3.024	10	20	DGCD	
CC(C)CONC(=O)NCc1cc(Cl)cc(Cl)c1O	805225475	OWUIYPJVIIWBLR-UHFFFAOYSA-N	307.177	3.086	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](CO)C(C)C)cc1	805315089	OYIIGNIALICCAB-KRWDZBQOSA-N	314.429	3.088	10	20	DGCD	
CON(CC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1C	806821431	MKIDEPDFQFCHQA-UHFFFAOYSA-N	307.438	3.180	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@@H](C)COC	812455044	VPQPZMLSKQRALA-LSDHHAIUSA-N	306.450	3.020	10	20	DGCD	
C[C@H](Cn1ccnc1)N[C@H](C)c1cccc(C(F)(F)F)c1O	815558674	KTIVULZTFOEDJG-GHMZBOCLSA-N	313.323	3.347	10	20	DGCD	
C[C@@H](NCc1ccc(CCN)cc1)c1cc(Cl)ccc1O	817947664	FCXFVHPQACAPOP-GFCCVEGCSA-N	304.821	3.398	10	20	DGCD	
CCOC(=O)CN(CCc1cccs1)Cc1ccccc1O	823581511	LGUWKBBCWPQDDK-UHFFFAOYSA-N	319.426	3.062	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@H](CO)CC(C)(C)C	825041018	YOQQZGJRSOATLO-LBPRGKRZSA-N	303.805	3.414	10	20	DGCD	
CCC[C@H](OC)C(=O)NCc1cc(Cl)cc(Cl)c1O	832059884	UZEVZLWRYQBLSS-NSHDSACASA-N	306.189	3.130	10	20	DGCD	
Oc1ccccc1CNC[C@@H]1CNCC[C@@H]1c1ccc(F)cc1	841073307	NSRBCQRHPUKRLI-FUHWJXTLSA-N	314.404	3.014	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(N)cc2)C12CCC2	841298171	MZMJLFLQKAETNH-LSDHHAIUSA-N	303.406	3.080	10	20	DGCD	
CCc1ccc(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)cc1	841301063	YPUYXNAGSXQKOI-UHFFFAOYSA-N	324.428	3.185	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)CC[C@@H](C)SC)cc1	844856595	QJNPHJVHZGDJGP-CQSZACIVSA-N	324.490	3.122	10	20	DGCD	
COc1cccc([C@H](C)NCCN2CCCC(C)(C)C2)c1O	846163905	CIIKNDMMGSOQKP-AWEZNQCLSA-N	306.450	3.173	10	20	DGCD	
C[C@@H](NCC1CCN(CC2CC2)CC1)c1cc(F)cc(F)c1O	850580817	BJVDWSQBVDSMTQ-GFCCVEGCSA-N	324.415	3.443	10	20	DGCD	
CC[C@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1	858526941	BPYYMFLKUOGGQX-PKOBYXMFSA-N	323.440	3.357	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cnc(CC(C)C)nc2)c1	861034207	KXTLSJPZXKKVBS-UHFFFAOYSA-N	314.389	3.011	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1	877122018	FJKBABNMMXNUMW-YEJXKQKISA-N	303.427	3.289	10	20	DGCD	
C[C@H](O)C[C@H](CNCc1cc(F)cc(F)c1O)c1ccccc1	883041394	LDUYVTKOAIICJY-GXTWGEPZSA-N	321.367	3.315	10	20	DGCD	
C[C@@H](NCc1ccc(C[S@](C)=O)cc1)c1c(O)cccc1F	886609232	OYCGJHMCVTWPOW-IPQOISQHSA-N	321.417	3.261	10	20	DGCD	
COc1cc(C)cc(CNC[C@@]2(C)CC2(Cl)Cl)c1O	894898764	KWAKCLVQCWASEP-CYBMUJFWSA-N	304.217	3.383	10	20	DGCD	
CC[C@@H](O)[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	900029232	SZPCXBWEBTUIHF-CRAIPNDOSA-N	318.461	3.042	10	20	DGCD	
C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccc(O)cc1O	910950121	CPFPTTXEVNLYHC-GFCCVEGCSA-N	317.360	3.122	10	20	DGCD	
C[C@@H]1CC[C@@H](C)C1NCc1ccc(N2CCC(O)CC2)c(F)c1	924762311	ZNBPQFNCPVAQKV-ZIAGYGMSSA-N	320.452	3.311	10	20	DGCD	
C[C@@H](COCC1CCCCC1)NC(=O)Nc1ccc(N)cc1	926141937	FVPDQPAUGLPCDH-ZDUSSCGKSA-N	305.422	3.376	10	20	DGCD	
CCOC(=O)C1(NCc2ccc(N(C)CC)cc2)CCCC1	1320876426	NPHPJLUXLGYVKT-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
CCCN(Cc1cccc(C(=O)OC)c1)c1ccc(CN)cc1	1321559687	SYDQHUXWXBNYFH-UHFFFAOYSA-N	312.413	3.349	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCCCc2ccccc21	1548791563	UGRJZYFSQRJGCC-INIZCTEOSA-N	311.381	3.224	10	20	DGCD	
CC[C@@]1(C(=O)O)CCCN(Cc2cc(Cl)c(F)cc2O)C1	1573823080	YHJZUFBRWLZVNO-OAHLLOKOSA-N	315.772	3.262	10	20	DGCD	
NC[C@]12CCCC[C@@H]1CN(Cc1c(O)ccc(Cl)c1F)C2	1580256856	YNHAUXUQZFHCCC-BZNIZROVSA-N	312.816	3.136	10	20	DGCD	
CN(C)c1ccc(CN(c2cccc(C(=O)O)n2)C2CC2)cc1	1598318309	WKXWDVIYQFTYSO-UHFFFAOYSA-N	311.385	3.015	10	20	DGCD	
COc1cccc(N[C@H](C)c2cc(C(=O)O)ccc2O)c1F	1599679810	JOIXZEAMTWGYOC-SECBINFHSA-N	305.305	3.411	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cc(C(=O)O)ccc2C)c1	1600465245	UURCFAIQSAFYPN-UHFFFAOYSA-N	314.341	3.029	10	20	DGCD	
C[C@H](N[C@H]1CCc2ccccc2C1)c1cc(C(=O)O)ccc1O	1604326290	GNKJTAZBQXQKSU-LRDDRELGSA-N	311.381	3.299	10	20	DGCD	
CCc1cccc(CN(C)c2ccc(OCC(=O)O)cc2)c1O	1605830958	ZWRDMIJJPFZNIK-UHFFFAOYSA-N	315.369	3.054	10	20	DGCD	
Cc1ccccc1NC(=O)N1CCOc2cc(N(C)C)ccc21	122671925	MZSOUDLSKGVYFZ-UHFFFAOYSA-N	311.385	3.492	10	20	DGCD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1O	133792753	QZVKHVPRVMCJDO-NSHDSACASA-N	305.761	3.129	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C)nc2C)c1	152416788	AIRZYBNGAYDONR-NSHDSACASA-N	315.373	3.295	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N(C)Cc2cccs2)cc1	157310370	QRXAHGDIQGRUTD-UHFFFAOYSA-N	318.442	3.242	10	20	DGCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NCc2ccccc2O)C1	163470136	BDHGJMAOXXKTBW-CABCVRRESA-N	320.433	3.318	10	20	DGCD	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)c(C)c1	172605329	RDFCCUHQGITREC-UHFFFAOYSA-N	321.398	3.209	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1O	179578924	JLEZCIKBEFEHNU-QGZVFWFLSA-N	310.441	3.489	10	20	DGCD	
CCCCSCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183461137	CQHPSGNPLFBDFW-GFCCVEGCSA-N	311.447	3.068	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](OC)c2ccccc2)c1	185101872	JBWVEXFXVSRCKB-ACJLOTCBSA-N	301.386	3.439	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2COC3(CCCCC3)O2)c1	186230348	AHDNILWWKXMFCB-HUUCEWRRSA-N	305.418	3.427	10	20	DGCD	
CCc1nc(C)c([C@H](C)N(C)C(=O)Cc2ccc(N)cc2)s1	237031845	YVGZGMFHMYVWGX-LBPRGKRZSA-N	317.458	3.358	10	20	DGCD	
Cc1nc2c(s1)[C@@H](N(C)C(=O)Cc1ccc(N)cc1)CCC2	237289213	GREHULVECSWGNP-HNNXBMFYSA-N	315.442	3.112	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)c2c(F)cncc2F)c1O	285477148	LEDXQZWCJAXOEW-JTQLQIEISA-N	308.328	3.315	10	20	DGCD	
COc1cccc(CNC(=O)NC(C2CCC2)C2CCC2)c1O	288419304	NPNXAYLHXWAFKK-UHFFFAOYSA-N	318.417	3.169	10	20	DGCD	
CCc1nnc(CNCc2ccc(N3CCCCC3)cc2)s1	289895479	SXVOAOFTUPZODN-UHFFFAOYSA-N	316.474	3.381	10	20	DGCD	
COc1cc(O)c(CN2CC3(CCC3)[C@@H]2C(C)C)cc1OC	292717196	DUYCCGAQWKGFTB-KRWDZBQOSA-N	305.418	3.420	10	20	DGCD	
Cc1noc([C@@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)n1	293551206	LDPRHDGGZZGOQV-KRWDZBQOSA-N	314.433	3.480	10	20	DGCD	
Oc1cccc2c1[C@H](NC1CCN(Cc3ccccn3)CC1)CC2	295925918	JXXPINPJXLTBRL-GOSISDBHSA-N	323.440	3.029	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3CCC34CCOCC4)ccc21	368514283	MLRFZUNDVMEPQJ-GOSISDBHSA-N	300.446	3.118	10	20	DGCD	
COc1cccc(CNC(=O)c2csc(C(C)(C)C)n2)c1O	729859351	QIGQPTRWMUHJBV-UHFFFAOYSA-N	320.414	3.085	10	20	DGCD	
Cc1nccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1	735637396	DKMFTJICXWHSNI-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
CO[C@@H](C)CCN[C@H](C)c1ccc(Br)cc1O	756529952	WJCBPTDOBUUQCT-VHSXEESVSA-N	302.212	3.230	10	20	DGCD	
Cc1noc(CCCN(Cc2ccccc2O)C2CCCC2)n1	763544500	WQWULDJNGONJOM-UHFFFAOYSA-N	315.417	3.461	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1ccc(N(C)C)cc1	773008889	HYTOZXRMKCYDGS-BXKDBHETSA-N	301.217	3.124	10	20	DGCD	
CSCC[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773309590	YDDOSPNNXNHFBU-QWHCGFSZSA-N	309.479	3.254	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(O)c1O	780888606	LTSZZEMSLZUVGS-CORIIIEPSA-N	303.402	3.447	10	20	DGCD	
C[C@H]1C[C@@H](N[C@H](CO)Cc2ccccc2)c2c(O)ccc(F)c21	783325860	QDPRQKHYKWTPDS-DUVNUKRYSA-N	315.388	3.273	10	20	DGCD	
C[C@H]1CCCC[C@H]1N(C)C(=O)COc1ccc(N(C)C)cc1	786876305	KWSWXNPTIQQANP-WMLDXEAASA-N	304.434	3.169	10	20	DGCD	
COc1ccc(CNC[C@@H](c2ccnn2C)C(C)C)cc1C	788074093	CBAHZNRHGBKTSO-MRXNPFEDSA-N	301.434	3.267	10	20	DGCD	
CCCOc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1	788280075	KAKWLQYCFZZQLK-UHFFFAOYSA-N	305.305	3.278	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(C(F)(F)F)ns1	804605741	WAMVZIBQXCVFDD-ZCFIWIBFSA-N	319.308	3.011	10	20	DGCD	
COc1cccc(CN2C[C@H](C)CN(C)c3ccccc32)c1O	809665508	VECOVSZUNWVASQ-CQSZACIVSA-N	312.413	3.493	10	20	DGCD	
CC[C@@H](NCc1ccn(C)n1)c1ccc(C(F)(F)F)cc1O	810228242	DKEHMJFZLYLCSP-CYBMUJFWSA-N	313.323	3.385	10	20	DGCD	
OC[C@H](NCc1cc(Cl)c(F)cc1O)c1ccc(F)cc1	816551297	WLJPMDKXNZIASC-AWEZNQCLSA-N	313.731	3.147	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCO[C@H]3C[C@H]32)c1C	816896911	UUHYVYKPWJROFB-MSOLQXFVSA-N	310.397	3.016	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c(O)c1	817942252	NNLIYVRTTPJBQP-KBXCAEBGSA-N	313.445	3.117	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC3CCSCC3)C2)cc1	818220836	MUCJJQNNPURJJC-AWEZNQCLSA-N	306.475	3.007	10	20	DGCD	
COc1ccc(C2(C(=O)NCCc3ccc(N)cc3)CCC2)cc1	818544826	QZZDXHXBEQUNDH-UHFFFAOYSA-N	324.424	3.058	10	20	DGCD	
COc1cc(CN(C)C[C@H]2CCC[C@H]2O)c(O)c(C(C)(C)C)c1	824920210	HYDMPWAVUUGECR-CXAGYDPISA-N	321.461	3.291	10	20	DGCD	
CC(C)(C(=O)O)[C@H]1CCCN(Cc2cccc(Cl)c2O)C1	833418791	APAROUJBWFRLHU-LBPRGKRZSA-N	311.809	3.368	10	20	DGCD	
Oc1cccc2c1[C@H](NCCOc1ncccc1Cl)CC2	834680929	PFSDZBZRFFXBIP-CYBMUJFWSA-N	304.777	3.097	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H](C)Cc2cnn(C)c2)cc1	834897782	VQRHHMYXZDQGCS-LSDHHAIUSA-N	300.450	3.158	10	20	DGCD	
CCCCCCO[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1	839471956	ZLLVHHDDJUIKOP-HNNXBMFYSA-N	306.450	3.354	10	20	DGCD	
CO[C@](C)(C1CC1)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	840859949	QKKRFYJZESWWOB-UVWXRNBGSA-N	308.378	3.155	10	20	DGCD	
CC[C@@H](NCc1ccccc1S(C)(=O)=O)c1ccccc1O	840867791	WMALQZQONCOMSV-OAHLLOKOSA-N	319.426	3.037	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@](C)(O)c1ccsc1	840933951	LUVRNBCEAIDULV-KRWDZBQOSA-N	304.459	3.120	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC(c2ccncn2)CC1	840953477	RIKVEGGHAYRKIK-UHFFFAOYSA-N	321.783	3.354	10	20	DGCD	
Cc1cc(O)c(CNC2(CO)C3CC4CC(C3)CC2C4)cc1C	840963528	OYSXMRPWPYLTRI-UHFFFAOYSA-N	315.457	3.286	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCC[C@H](C3CC3)C2)cc1	841045807	QOHAQUJQWVHQDV-JENIJYKNSA-N	301.478	3.311	10	20	DGCD	
Nc1ccc(NC(=O)NCc2cccc(CN3CCCC3)c2)cc1	841301851	GCXWPEHSFUSKQX-UHFFFAOYSA-N	324.428	3.186	10	20	DGCD	
CC[C@@H](C)C[C@@H](CO)NCc1cc(Br)ccc1O	842753749	IXLWSRHKYVISIJ-MFKMUULPSA-N	316.239	3.041	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@H](C)OC3(CCC3)C2)c1O	843432598	NZMNRKWWYZRAHN-NSHDSACASA-N	311.809	3.198	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc([C@H](C)O)cc2)c1O	846144366	LWSGMHZQSHVURP-STQMWFEESA-N	301.386	3.305	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](Cn2ccnc2)C(C)(C)C)c1O	846144934	ODWLNABXYFYLIZ-BBRMVZONSA-N	317.433	3.363	10	20	DGCD	
Oc1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)cc1)CC2	850386493	JUJUZVVLIMYGRA-HXUWFJFHSA-N	324.424	3.006	10	20	DGCD	
CN(CC1=CCCOC1)Cc1cc(C(C)(C)C)cc(O)c1O	853561638	LKXNTIQOBNDFOG-UHFFFAOYSA-N	305.418	3.174	10	20	DGCD	
CCc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)n1	857472998	QONNBPMBJDCIDI-UHFFFAOYSA-N	310.397	3.158	10	20	DGCD	
CN1C[C@H](N(C)Cc2cc(-c3ccccc3)ccc2O)CCC1=O	862428437	QGHFIPAJGMOBKB-GOSISDBHSA-N	324.424	3.112	10	20	DGCD	
CN(C)c1cc(F)c(CNc2nnc(C3CC3)s2)cc1F	865290261	SMNNOHJRJTXJRY-UHFFFAOYSA-N	310.373	3.372	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(Cl)nnc2O)cc1	872416080	RZEUUAFJWGKGLM-UHFFFAOYSA-N	306.797	3.294	10	20	DGCD	
Cc1cccc(O)c1CNCC(C)(C)NC(=O)OC(C)(C)C	877075930	SXGDEBXNEADKBK-UHFFFAOYSA-N	308.422	3.094	10	20	DGCD	
CCN(CC)CCC[C@@H](C)NCc1cc(F)cc(F)c1O	882877763	DATZDHGCSFCAST-GFCCVEGCSA-N	300.393	3.271	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1c(O)cccc1F	886601604	XNZMRRNJLJKNKL-WDEREUQCSA-N	312.385	3.095	10	20	DGCD	
COc1ccc(CN[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1C	1000759849	BGQBYMIVUQWMNA-MRXNPFEDSA-N	318.461	3.130	10	20	DGCD	
CCCCCC(=O)NCCC1=CCN(c2ccc(C)nn2)CC1	1089803315	ITBXRCXOLPTDOX-UHFFFAOYSA-N	316.449	3.008	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)C1CCCCC1	1118270208	YISPOWWEDPYOIY-GOSISDBHSA-N	317.477	3.009	10	20	DGCD	
Cn1cnc(/C=C\C(=O)N2CCCc3cc(Cl)ccc32)c1	1120247874	HEQORJFGISWFSF-ALCCZGGFSA-N	301.777	3.066	10	20	DGCD	
Nc1ccc(CNC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1	1338792333	DJZIBWXKBJQQGL-OAHLLOKOSA-N	313.376	3.107	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cn2ccc3ccccc32)c1	103529451	WDXIJOVDJFJHFL-CYBMUJFWSA-N	324.380	3.233	10	20	DGCD	
COc1cccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1O	54682426	QXTCDLKZNHSXHV-HNNXBMFYSA-N	318.760	3.251	10	20	DGCD	
Cc1cc([C@](C)(O)CNCc2cc(Cl)ccc2O)c(C)o1	304345549	UIOVVQJZQNZPFP-MRXNPFEDSA-N	309.793	3.253	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2)nc1)c1cc(F)ccc1O	184984484	CZVNAEGJMWDARV-CYBMUJFWSA-N	315.392	3.377	10	20	DGCD	
OC[C@H]1c2ccccc2CCN1Cc1cccc(Cl)c1O	180282078	IDBPAJHFPWKNTH-INIZCTEOSA-N	303.789	3.137	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CCN(C)C)C(C)(C)C)c1	185471904	KFZVRNIXLPBTBC-DYVFJYSZSA-N	308.466	3.418	10	20	DGCD	
COc1ccc(O)c(CNCc2ccc(OC(C)(C)C)nc2)c1	181128411	GVEMWFHTCJYXQF-UHFFFAOYSA-N	316.401	3.263	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)C1	127912545	LGXMXCXFHLMADI-HZPDHXFCSA-N	313.445	3.393	10	20	DGCD	
COc1cc(Br)cc(CN2CCC[C@H]2C)c1O	124299510	RHSCEOBIXVAUAN-SECBINFHSA-N	300.196	3.148	10	20	DGCD	
CCOc1ccc(NC(=O)c2cccc(O)c2O)cc1OCC	322530020	WLSADEBLRCLYKM-UHFFFAOYSA-N	317.341	3.148	10	20	DGCD	
CO[C@](C)(CNCc1cc(Br)ccc1O)C1CC1	291088234	WQYVIFZOGPAUSR-CQSZACIVSA-N	314.223	3.059	10	20	DGCD	
CCOC(=O)CC[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1	92073522	GRIIZLRZZOMALO-MRXNPFEDSA-N	318.461	3.308	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCSC1	267296238	JREVTYKICQHLIX-CQSZACIVSA-N	308.447	3.209	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCOC[C@@H]2CCCO2)c(O)c1C	273411163	PRAAEHSBJFXYMW-CVEARBPZSA-N	307.434	3.245	10	20	DGCD	
CC(=O)C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1	289538281	FHJQTVWXDGDISL-UHFFFAOYSA-N	314.181	3.261	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1conc1C1CC1	280835962	UGQGCHCUMFQHDU-UHFFFAOYSA-N	311.385	3.082	10	20	DGCD	
CC[C@@H](N[C@H](C)CN1CCCC1=O)c1cccc(Cl)c1O	287847332	WOVZGFHVUPUFOE-BXUZGUMPSA-N	310.825	3.097	10	20	DGCD	
COc1ccc2c(c1)OCCN(Cc1c(O)cccc1Cl)C2	802659863	YGKAOMHHRNHGDO-UHFFFAOYSA-N	319.788	3.449	10	20	DGCD	
CC[C@H](c1ccncc1)N(C)Cc1cc2c(cc1O)OCO2	290536019	QZMIPLYYEQYYDQ-CQSZACIVSA-N	300.358	3.099	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@@H]1C1CC1	807841114	SGTRPESTJLPFOU-MNOVXSKESA-N	300.185	3.361	10	20	DGCD	
COCCOC[C@@H](C)N[C@@H](C)c1cc(Cl)cc(C)c1O	808706191	FBTFCXRAGGLLBK-NEPJUHHUSA-N	301.814	3.056	10	20	DGCD	
Cc1noc([C@H]2CCCN(Cc3ccc(N(C)C)c(C)c3)C2)n1	293439021	JTXGDRQKULQNOC-INIZCTEOSA-N	314.433	3.132	10	20	DGCD	
COc1ccccc1O[C@H](C)CN[C@H]1CCc2cccc(O)c21	297794785	QBWDNFVCKAGABT-HIFRSBDPSA-N	313.397	3.445	10	20	DGCD	
C[C@@H](NCCC1=CCNCC1)c1cccc(C(F)(F)F)c1O	817985703	MYGBCFPWVZGRRH-LLVKDONJSA-N	314.351	3.371	10	20	DGCD	
C[C@H](NCC1=CCNCC1)c1ccc(Cl)c(Cl)c1O	817968367	QRWWJSMLMUOAQP-VIFPVBQESA-N	301.217	3.269	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3ccncc3C)C2)cc1	818222414	SHAWGVWERGIILN-MRXNPFEDSA-N	311.429	3.015	10	20	DGCD	
CCN(Cc1ccc(C(=O)O)s1)c1ccc(OC)c(OC)c1	829718088	BNCJYVYUWLKUOZ-UHFFFAOYSA-N	321.398	3.490	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1C	824952718	DIUCBTCULKKKPM-IEBWSBKVSA-N	312.413	3.414	10	20	DGCD	
COC[C@@H](NCc1ccc(N2CCC(OC)CC2)cc1)C(C)C	828802833	QCQRJMIIAUITBT-LJQANCHMSA-N	320.477	3.062	10	20	DGCD	
CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	732352729	DGWAZJYNRJNGNO-SNVBAGLBSA-N	319.382	3.200	10	20	DGCD	
CCOC(=O)N[C@@H](CN[C@@H]1CCc2cccc(O)c21)CC(C)C	834501999	LRVDSDWYFJKDIA-HUUCEWRRSA-N	320.433	3.130	10	20	DGCD	
Oc1cccc(Br)c1CNc1cnc(C2CC2)nc1	902090167	LGSHGLJOUXJBFP-UHFFFAOYSA-N	320.190	3.434	10	20	DGCD	
CC(C)(C)c1csc(CCNC(=O)c2cc(O)cs2)n1	732287981	KQHMGSPIPOSWKC-UHFFFAOYSA-N	310.444	3.180	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	734385110	LZUDBBLHFLTBHY-GRDNDAEWSA-N	317.502	3.214	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2C[C@@H]3CCCCN3C2=O)c1O	834914553	NPSBBVOZUPXANK-WHOFXGATSA-N	322.836	3.158	10	20	DGCD	
COc1ccc(CN[C@H](C(=O)O)c2ccccc2F)cc1C	832340309	CLMUKTSUITXBPG-INIZCTEOSA-N	303.333	3.058	10	20	DGCD	
COc1ccc(CCN[C@@H]2CCc3cccc(O)c32)c(OC)c1	834547958	ISRAFYYMLYIMCX-MRXNPFEDSA-N	313.397	3.229	10	20	DGCD	
C[C@H]1NCCC[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F	841062775	FHUBJJAYWYLIQA-IAQYHMDHSA-N	315.383	3.002	10	20	DGCD	
CCO[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C1(CC)CC	749559406	RYISOFVFQDVPHG-HOTGVXAUSA-N	320.433	3.175	10	20	DGCD	
CSCC1(CC(=O)NCc2c(O)ccc3c2CCCC3)CC1	845833302	FGWXSHSPKVYWFZ-UHFFFAOYSA-N	319.470	3.421	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	910946369	NHZJORZRPPNYEQ-UHOFOFEASA-N	303.402	3.321	10	20	DGCD	
COCCC1(c2nc(Cc3ccc(N)cc3)no2)CCCC1	843158409	CKDJGVIYQZLRDD-UHFFFAOYSA-N	301.390	3.091	10	20	DGCD	
COc1ccc(O)c(CN2CC3(CCOCC3)[C@@H]2C(C)C)c1	840969419	IVKUORAMVDKFOZ-KRWDZBQOSA-N	305.418	3.038	10	20	DGCD	
CCn1ccc(CN[C@@H](C)c2cc(Br)ccc2O)n1	840839988	CMMGCJVVSXRSEP-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@H]1CCCN1	843048027	JOJXUOCTUHQDSY-KGLIPLIRSA-N	312.816	3.291	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCc2cccnc21	846474695	ZSIQJWWLCWFDOX-CQSZACIVSA-N	316.788	3.177	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2nc3c(s2)CCC3)c1O	926929461	OBGCYJACUUTBPX-LLVKDONJSA-N	318.442	3.239	10	20	DGCD	
C[C@H](NC[C@@H](O)CCc1ccccc1)c1ccc(N(C)C)cc1	753762619	JNNDYRCMXINBJT-JXFKEZNVSA-N	312.457	3.397	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cccc(CO)c2)c2c(O)ccc(F)c21	756547327	AVSUZJJKXFHLLN-IAQYHMDHSA-N	301.361	3.362	10	20	DGCD	
Cc1noc(C)c1NC(=O)NCCCSc1nccs1	758587773	REZVISACVZBISV-UHFFFAOYSA-N	312.420	3.052	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(F)cc2[N+](=O)[O-])c(OC)c1	851864898	NCNQGGJZHMLLOC-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CCNC(C)(C)C)C2CC2)cc1	929935985	USYAHCAKMRGIIU-UHFFFAOYSA-N	317.477	3.022	10	20	DGCD	
CC(C)[C@H](NCc1cc(F)c(N(C)C)cc1F)c1cnn(C)c1	922891737	XZWOCFYDUFTZQA-KRWDZBQOSA-N	322.403	3.251	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2ccc3c(c2)COC3)cc1F	858150839	KODVLWZETZJXPG-UHFFFAOYSA-N	318.367	3.351	10	20	DGCD	
CCCC[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C(C)C	856994432	MUVIMUVWCFZJSF-ROUUACIJSA-N	319.493	3.331	10	20	DGCD	
C[C@H](NC[C@H](O)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1O	850574647	ZXQDAALQVVJWIR-PRXAMGSTSA-N	321.367	3.486	10	20	DGCD	
CCOc1cncc(/C=C2\C(=O)N3CCCc4cccc2c43)c1	857202476	OBFHNHUMMCJXAT-YVLHZVERSA-N	306.365	3.314	10	20	DGCD	
CCC(=O)c1cc(C(=O)N(C)Cc2ccccc2O)ccc1F	757059673	UXVPFSLJWVQULJ-UHFFFAOYSA-N	315.344	3.396	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(C)s2)c1	756417138	JYXMANXICFRKNY-LLVKDONJSA-N	305.399	3.400	10	20	DGCD	
Oc1cc2c(cc1CN1CCCN(CC(F)F)CC1)CCCC2	768465877	RNTUGPKXKPEGKQ-UHFFFAOYSA-N	324.415	3.044	10	20	DGCD	
C[C@@H](NC(=O)NCCSCC(F)(F)F)c1ccccc1O	868467831	PZWJIUXTSMKCMY-SECBINFHSA-N	322.352	3.048	10	20	DGCD	
CCCc1cnc(NC(=O)NCc2cc(C)ccc2O)s1	860884162	KKFKARYPPIEONW-UHFFFAOYSA-N	305.403	3.431	10	20	DGCD	
CN(CC(=O)N(C)C1CCCCC1)Cc1c(O)cccc1Cl	768303892	UDVLCNBKOXRYNC-UHFFFAOYSA-N	324.852	3.269	10	20	DGCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H]2CCCCCN2C1=O	761582014	YWVBMRJFYUPOQS-BBRMVZONSA-N	315.417	3.020	10	20	DGCD	
CC[C@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccccc1O	775522171	LDLBOTKTEMNQIL-HOCLYGCPSA-N	305.418	3.161	10	20	DGCD	
CCc1cnccc1[C@H](C)NCc1cc(OC)c(OC)cc1O	776257606	YYYOYEGNWDDDAG-LBPRGKRZSA-N	316.401	3.218	10	20	DGCD	
C[C@H](NC(=O)NC[C@]1(C)CCCS1)c1ccc(N(C)C)cc1	773388002	BMOLORYSAZQODN-GUYCJALGSA-N	321.490	3.399	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[C@H](F)C1	1118124130	VJYYFVZEQHLGPE-HOTGVXAUSA-N	317.408	3.143	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1O	774943464	ULELQFGZEKCCDG-OWTLIXCDSA-N	320.389	3.223	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)Nc1cccnc1Cl	879648296	IVAAZCJIEBKTRI-MNOVXSKESA-N	319.792	3.118	10	20	DGCD	
Cc1occc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773228463	HLSNDMWKKSHJEG-GFCCVEGCSA-N	301.390	3.214	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1c(F)cccc1Cl	779500066	PGVSNRZRUGHFKD-ALCCZGGFSA-N	321.735	3.220	10	20	DGCD	
OC1CCN(c2ccc(CN(CC3CC3)C3CCC3)cc2)CC1	877493151	HGCQGKDZBFHJAW-UHFFFAOYSA-N	314.473	3.412	10	20	DGCD	
Cc1cccc(CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)c1O	775726103	PYKVOMUCTJGCIS-BQFCYCMXSA-N	300.446	3.007	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCO[C@@H](C)C1	776300975	IZUPQKUSXHHOOI-DOTOQJQBSA-N	318.461	3.305	10	20	DGCD	
Cc1ccnc2c(S(=O)(=O)Nc3ccc(O)cc3)cccc12	777592523	ZATAIRBWSOQYPS-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
C[C@@H](Nc1ccc(COCCO)cc1)c1c(O)cccc1F	886629292	AHPVYHFQIKLSOG-GFCCVEGCSA-N	305.349	3.213	10	20	DGCD	
CN(CCCF)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	895898552	XEBMRXIPUAZSCR-UHFFFAOYSA-N	309.385	3.377	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1	790992264	WBJAIFOXLWVIHT-OAHLLOKOSA-N	312.461	3.455	10	20	DGCD	
Cn1c(=O)oc2c(NCc3c(O)ccc(Cl)c3F)cccc21	790983223	OMSKRLFCTCKOLC-UHFFFAOYSA-N	322.723	3.242	10	20	DGCD	
CC(C)OCCCNCc1ccc(Br)cc1O	691426226	HLZOJSNORDDREN-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
Nc1ccc(Cc2noc(-c3ccnc(OC4CCC4)c3)n2)cc1	1326236442	IWZCBRCPNPGRNM-UHFFFAOYSA-N	322.368	3.236	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCc1cnc2n1CCC2	719874846	LJPDZOYPTVXLBS-UHFFFAOYSA-N	312.200	3.132	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)OCc2nccn2C)c1C	1342621981	SXGPAPLYBUBQCI-UHFFFAOYSA-N	323.396	3.493	10	20	DGCD	
CC(C)(C)Oc1ccc(C(=O)NCc2cccc(O)c2O)cc1	1348047158	MFMGRFYNMLWUDZ-UHFFFAOYSA-N	315.369	3.205	10	20	DGCD	
Nc1ccc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1	1352789007	UAFGRYZNCPNVST-KRWDZBQOSA-N	304.340	3.121	10	20	DGCD	
C[C@@H](NC(=O)c1cc(C(=O)O)ccc1Cl)c1ccccc1O	1599840527	HTXSWZAEFSVNFJ-SECBINFHSA-N	319.744	3.235	10	20	DGCD	
CCN(C)c1ccc(CN2CCC([C@@H]3C[C@H]3C(=O)O)CC2)cc1	1776855881	AJRRDJLTIVSRTG-ZWKOTPCHSA-N	316.445	3.075	10	20	DGCD	
CCN(CC)c1ccc(CNCCC2(C(=O)O)CCC2)cc1	1776860901	ADEJYOLMOVXRMU-UHFFFAOYSA-N	304.434	3.267	10	20	DGCD	
COc1ccc(N(Cc2ccco2)Cc2nc(C)no2)cc1F	150867197	GDNZQMGTNWTUQE-UHFFFAOYSA-N	317.320	3.326	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCN(c2ccccc2O)CC1	158534556	SAXDKFLZSDKQCP-UHFFFAOYSA-N	318.804	3.073	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nccs1	153301357	ZJEWSIXKBZEAAJ-KGLIPLIRSA-N	317.458	3.392	10	20	DGCD	
CCCN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	108444352	KLDCHZFAPRGDCQ-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
CCCCOCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	118307236	DLLSPNNTUCSOSM-UHFFFAOYSA-N	318.461	3.452	10	20	DGCD	
CC[C@H](NC[C@H](O)c1c(F)cccc1F)c1ccccc1O	305789769	ZNORINLQPLTBOS-HOCLYGCPSA-N	307.340	3.445	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCc2occc21	120858107	JMVGMXAOELICHJ-CQSZACIVSA-N	300.358	3.204	10	20	DGCD	
CCCC(=O)NC[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1	124236575	BIMHMUWLPPQWJL-ZDUSSCGKSA-N	324.852	3.174	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H](C)C3)CC2)cc1	129587277	PLPZOURDMXRLLM-JKSUJKDBSA-N	316.445	3.170	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2	185404135	IHJHDYDQWAYAPQ-GJZGRUSLSA-N	302.462	3.263	10	20	DGCD	
CC1([C@@H]2CCCN(Cc3cccc(Cl)c3O)C2)OCCO1	183239381	SCZOSZFJFGQSFM-CYBMUJFWSA-N	311.809	3.021	10	20	DGCD	
COc1cccc(CN[C@H](C)[C@@H](c2ccccc2)N(C)C)c1O	185677584	IWDBPAWAICCXCR-KDOFPFPSSA-N	314.429	3.182	10	20	DGCD	
Cc1cccc(CNCCCC(=O)N2CCc3ccccc32)c1O	182187123	FTDDJVXLBZYMFH-UHFFFAOYSA-N	324.424	3.160	10	20	DGCD	
COc1ccccc1NC[C@@H](O)COc1cc(C)cc(C)c1	32186315	RPARUBIRABZBTB-OAHLLOKOSA-N	301.386	3.164	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)cc2)c1	78493456	AIFWWRMGNRPFCA-JTQLQIEISA-N	304.321	3.423	10	20	DGCD	
Cc1ccc(O)c(CN2CCN([C@@H](C)c3nccs3)CC2)c1	185609701	LQCBUHQFRXCIOD-AWEZNQCLSA-N	317.458	3.036	10	20	DGCD	
C[C@@H](CN[C@H](C)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C	190038331	HJBWEDGEACTLQP-UONOGXRCSA-N	321.465	3.316	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N)ccc1C	320287940	XXSFSNLKOZFKKA-UHFFFAOYSA-N	311.429	3.306	10	20	DGCD	
Cc1c(Br)cccc1C(=O)NCc1ccccc1O	135358993	IPGNCCPJKBNRNL-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
CO[C@@H](C)c1noc(COc2ccc3c(c2)c(C)c(C)n3C)n1	421199213	MKIBRACBVUJZBW-LBPRGKRZSA-N	315.373	3.465	10	20	DGCD	
CCCOc1ccc(CN(C)CCc2nccs2)c(O)c1	93844015	ZNCOCUICZAOFME-UHFFFAOYSA-N	306.431	3.312	10	20	DGCD	
CCOc1cccc(CN(C)[C@H]2CCCc3c2cnn3C)c1O	93863964	YONDUBUVRRJRLI-HNNXBMFYSA-N	315.417	3.034	10	20	DGCD	
C[C@@H](NCCSC(F)(F)F)c1cc([N+](=O)[O-])ccc1O	273432174	VWVQMIRKWNVCKA-SSDOTTSWSA-N	310.297	3.204	10	20	DGCD	
CC[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O	274736614	DHTWYJNTNPULFB-WBVHZDCISA-N	303.377	3.176	10	20	DGCD	
CCOC1CC(CCN[C@@H](C)c2cc(C(=O)OC)ccc2O)C1	276709342	WMVJFIYLNWQFJH-OPFPJEHXSA-N	321.417	3.035	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@@H](C)c1cc(Cl)ccc1O)C2	363869338	UCAAULTVSJYMAG-HZMBPMFUSA-N	317.820	3.352	10	20	DGCD	
CC[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1	271585204	XLBRLIFFENRVPS-KGLIPLIRSA-N	304.356	3.107	10	20	DGCD	
CCC1(CN[C@@H](C)c2cc(C(=O)OC)ccc2O)CCOCC1	273588384	OLPXCJXTVVFSSV-ZDUSSCGKSA-N	321.417	3.036	10	20	DGCD	
Cn1nccc1[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	372433484	JFYJZFNIIRALJH-GFCCVEGCSA-N	305.809	3.159	10	20	DGCD	
Cc1nc([C@@H]2CCCCN2Cc2ccc(N(C)C)c(F)c2)no1	372435619	MILVFOJFWAFQFB-INIZCTEOSA-N	318.396	3.310	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCCC[C@H]2C[C@H](C)O)c1	809700560	JCHCAWHNDHMRSM-HOCLYGCPSA-N	307.434	3.306	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ncnn2C(C)(C)C)c(O)c1C	800501154	YFKNRCHIFAKLSJ-ZDUSSCGKSA-N	302.422	3.206	10	20	DGCD	
OCc1ccc(CNCc2cc(Cl)cc(Cl)c2O)o1	809775411	ASGSBFBQYBEQJT-UHFFFAOYSA-N	302.157	3.074	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](CO)C2CCCCC2)c1	293661201	IQEKYGJSYZZLIF-UKRRQHHQSA-N	307.434	3.240	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)c1	801530264	ZVZFEGZICFDGNK-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@@]2(CCc3ccccc3O2)C1	811606984	BMXXSPDNNFTBSX-KRWDZBQOSA-N	315.394	3.064	10	20	DGCD	
COc1cc(CN(C)[C@H]2CCCOC2)c(O)c(C(C)(C)C)c1	825882732	NTNAGMPEWOPRRC-AWEZNQCLSA-N	307.434	3.309	10	20	DGCD	
COc1cc(O)c(CNC[C@]2(C)CC2(Cl)Cl)cc1OC	824764768	DFVJKLNPJVGBFA-ZDUSSCGKSA-N	320.216	3.083	10	20	DGCD	
COc1ccc([C@H](O)CNCc2cc(Cl)c(C)cc2O)cc1	825090459	VXPRHCBOTOPHMC-QGZVFWFLSA-N	321.804	3.186	10	20	DGCD	
COc1cccc(CNC(=O)NCc2cc(C)cc(C)c2)c1O	821742866	PEWOCPWSIZZURI-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
CCC(CC)n1ccc(C(=O)N[C@H](C)c2ccccc2O)n1	827940801	IPCAWCBTCCRWEX-GFCCVEGCSA-N	301.390	3.441	10	20	DGCD	
CC(C)c1cc(NCc2ccc(N3CCOCC3)cc2)ncn1	731983872	PTWAVYQTBJTMOZ-UHFFFAOYSA-N	312.417	3.049	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H](C)Cc2cnn(C)c2)cc1	834897781	VQRHHMYXZDQGCS-HUUCEWRRSA-N	300.450	3.158	10	20	DGCD	
Cc1cc(CNCc2ccc(N3CCC(C)CC3)cc2)n(C)n1	841862668	CKQZHVNLBNUDHL-UHFFFAOYSA-N	312.461	3.255	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21	840892594	BKOGXSSGPWBYGV-RLFYNMQTSA-N	312.461	3.484	10	20	DGCD	
COCC1CCC(NCc2cc(Cl)c(F)cc2O)CC1	840961643	CMNMSVXFKHPFLU-UHFFFAOYSA-N	301.789	3.480	10	20	DGCD	
CCS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1	844356772	XIHCABPNNOEDDD-UHFFFAOYSA-N	319.426	3.125	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CO[C@H](C)C1	844104070	CNAHQYNAVGXZEU-OLZOCXBDSA-N	304.415	3.063	10	20	DGCD	
Cc1cc(O)c(CN2C[C@@H](N)[C@H](c3cccc(F)c3)C2)cc1C	841103007	COUYZCUDLSEQAF-ZWKOTPCHSA-N	314.404	3.075	10	20	DGCD	
CC(C)N1CCC[C@@H](CN[C@H](C)c2cc(F)cc(F)c2O)C1	756545728	OWFDCATVSIKMCA-OLZOCXBDSA-N	312.404	3.441	10	20	DGCD	
CCc1onc(C)c1NCc1ccc(N2CCC(O)CC2)cc1	922132650	XJWJWZQKDIRIFL-UHFFFAOYSA-N	315.417	3.119	10	20	DGCD	
CC1([C@H](NCc2ccc3c(c2)CCO3)C(=O)O)CCCCC1	756380045	DPSZXMXBRQJHTD-MRXNPFEDSA-N	303.402	3.135	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H]2CCN(C3CCCCC3)C2)c1	850382717	VJSJLAKIVPDECG-INIZCTEOSA-N	318.461	3.288	10	20	DGCD	
COc1cc(CNCC2(O)CCCC2)c(O)c(C(C)(C)C)c1	850131363	SVFOGJQWGYAKAB-UHFFFAOYSA-N	307.434	3.093	10	20	DGCD	
COc1ccc(N(C)CCc2ccc3c(c2)CCO3)cc1F	757851429	IXTFRXKSCLUMCA-UHFFFAOYSA-N	301.361	3.448	10	20	DGCD	
Cc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)o1	868968661	CPCNRRAYTFVIPX-UHFFFAOYSA-N	314.385	3.172	10	20	DGCD	
C[C@H](NC(=O)Cc1cccnc1Cl)c1ccc(N(C)C)cc1	867502863	CPDZDOJBULWTND-LBPRGKRZSA-N	317.820	3.221	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CCSC3)cc2)CC1	762179638	VMQZYXVAACQOBG-MRXNPFEDSA-N	318.486	3.292	10	20	DGCD	
CCC[C@@]1(C)CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768466509	QWYRYNFBRUWEIA-WMZOPIPTSA-N	305.418	3.220	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC1(C)COC1	862762303	ZZXSXJXDCYNCBV-UHFFFAOYSA-N	318.442	3.264	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC3(CCOCC3)CC2)cc1F	862359068	BIKMSGHZTQHLON-UHFFFAOYSA-N	324.415	3.423	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCc2nc3ccccc3[nH]2)c1	862760800	WISHBSFVXWVOEZ-UHFFFAOYSA-N	323.396	3.216	10	20	DGCD	
COCCc1ncc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1	865531060	FRQIHWLZVRVVQX-ZDUSSCGKSA-N	319.474	3.249	10	20	DGCD	
CCOc1cccc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)c1O	766090472	TUOLFRFSGWPTNK-JKSUJKDBSA-N	307.434	3.473	10	20	DGCD	
NC[C@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H]1C(F)(F)F	863646294	ISGYFGSFMYOJON-ONGXEEELSA-N	322.758	3.005	10	20	DGCD	
CCN(C)C[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	768467069	WYQSJCPGWJGSBB-HNNXBMFYSA-N	302.462	3.045	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)Cc3ccco3)CC2)cc1	764774805	RGFBRYXXUBWQTJ-HNNXBMFYSA-N	314.429	3.478	10	20	DGCD	
CCC1CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1	779480360	SPPJWEOZBWAPPV-NTMALXAHSA-N	303.402	3.444	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H](c1cccc(F)c1)N(C)C	876884657	RAZZMBITJYOVMJ-QGZVFWFLSA-N	302.393	3.232	10	20	DGCD	
O=C(NCCCSc1nccs1)c1c[nH]cc1C1CC1	878834321	ODQMUKDOUCOFNV-UHFFFAOYSA-N	307.444	3.261	10	20	DGCD	
COc1ccc(N(CCN2C[C@@H]3CC[C@H](C2)O3)CC(C)C)cc1	775987796	ZCWJNLLUAKEFTH-KDURUIRLSA-N	318.461	3.021	10	20	DGCD	
CN(Cc1ncccc1C(F)(F)F)c1ccc2c(c1)OCO2	780774275	JZYKVEAJRPOEPK-UHFFFAOYSA-N	310.275	3.466	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(N(C)C)cc2)c(OC)c1	785764194	QYBQSMNPYYNIPF-UHFFFAOYSA-N	300.402	3.406	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCc1ccc2c(c1)OCCCO2	882967977	YNKOHFVOFZRPCH-UHFFFAOYSA-N	321.323	3.122	10	20	DGCD	
COc1ccc(CNc2cc3c(cn2)CCCC3)c(O)c1OC	894572748	MPPQBMKECUUTET-UHFFFAOYSA-N	314.385	3.295	10	20	DGCD	
COc1cc(C)cc(CN2CCCCC[C@H]2C[C@H](C)O)c1O	894748839	XPNBCCMUQLZRHT-HOCLYGCPSA-N	307.434	3.225	10	20	DGCD	
CC(C)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	780183106	CIXMVQHKLHDJON-MRXNPFEDSA-N	303.450	3.330	10	20	DGCD	
COc1ccc(CNC(=O)CCCSC(C)(C)C)c(O)c1	794377834	LAUPGTCYRMZPLK-UHFFFAOYSA-N	311.447	3.329	10	20	DGCD	
C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C2CC2)O1	794652137	IEPWUUZXDXWZRQ-SJCJKPOMSA-N	319.445	3.395	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)CCO)c1	1319341469	OQCSUWDYRLHTFZ-LLVKDONJSA-N	320.820	3.248	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccoc2Br)cc1	193318090	HSHZSXURLHKIKU-UHFFFAOYSA-N	323.190	3.038	10	20	DGCD	
Cc1ccc([C@@H](NCc2cc(F)ccc2O)C(=O)O)cc1C	1610495662	RMUMPVPGDIAMEE-MRXNPFEDSA-N	303.333	3.064	10	20	DGCD	
COc1cc(CN2CCC[C@H]2CC(=O)O)c(O)c(C(C)(C)C)c1	1610298395	PACUYEUGDWVHDR-ZDUSSCGKSA-N	321.417	3.137	10	20	DGCD	
CC1(C)[C@@H](NCc2ccc(N3CCCC3)cc2)[C@@H]2CCCN[C@H]21	1576389939	NIZYANAQFZRDRI-QRVBRYPASA-N	313.489	3.153	10	20	DGCD	
CC(C)C[C@@H](N)CC(=O)NCc1cc(Cl)cc(Cl)c1O	1575631794	UTNQNICVAKSQLF-LLVKDONJSA-N	319.232	3.079	10	20	DGCD	
CCN1CCc2cc(CN[C@@H]3CCCCC[C@@H]3C(=O)O)ccc21	1776877627	KYLKZJGHUGNCIY-DLBZAZTESA-N	316.445	3.192	10	20	DGCD	
COc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1C	156505584	WRIACFLGUTVOQB-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
Oc1ccc(CCNCc2cccc(Br)c2O)cc1	48797665	OOTOFQVUNYGIIM-UHFFFAOYSA-N	322.202	3.193	10	20	DGCD	
CN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S	5931608	PPRAOHXHGONCEG-JLHYYAGUSA-N	304.440	3.118	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2ccccc2Cl)cc1	18214911	IZSNGQAZURGRCT-UHFFFAOYSA-N	302.805	3.265	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCCOc1ccc(F)cc1	97362926	WGUGICPSDSXLIQ-UHFFFAOYSA-N	317.360	3.349	10	20	DGCD	
Oc1cccc(Cl)c1CNc1ccc(-n2cncn2)c(F)c1	120446351	CYFCCXDLFTXXBN-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNC[C@@H]1CSCCS1	125218073	NZEOVXGDQHRJTD-MRXNPFEDSA-N	308.516	3.225	10	20	DGCD	
COc1ccc(C[C@@H](C)C(=O)N(C)Cc2ccccc2O)cc1	129611441	AZGHWHPNUIPGRD-CQSZACIVSA-N	313.397	3.238	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)Nc2cc(F)ccc2F)cc1	150735190	WUOPYGCVJCEDHH-UHFFFAOYSA-N	320.339	3.438	10	20	DGCD	
CCN1CC[C@H](NCc2ccc(N(CC)CC)cc2)[C@H](C)C1	174629079	ABJHBJQANGVAIB-APWZRJJASA-N	303.494	3.353	10	20	DGCD	
C[C@@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O	183631426	LKKIGOQOWIENGB-NVXWUHKLSA-N	324.424	3.092	10	20	DGCD	
CCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCCC1	188908313	QJVKJEQNXHLRNI-UHFFFAOYSA-N	302.418	3.448	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(F)c1	189425920	GRCKRKYMKLPPNA-UHFFFAOYSA-N	313.325	3.034	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCN2CCCC[C@@H]12	217684881	MYDSITRPJURHJA-KBPBESRZSA-N	315.244	3.415	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1CN	253193322	OMKRMGYFWZUHIF-GXSJLCMTSA-N	303.233	3.116	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCC1	266701925	GQOHYUDDEVNHBS-UHFFFAOYSA-N	303.450	3.473	10	20	DGCD	
Cc1n[nH]cc1CNCc1ccc(N(C)C)cc1C(F)(F)F	281005128	WGWHQTRTFJZJAJ-UHFFFAOYSA-N	312.339	3.093	10	20	DGCD	
CCc1nc(C)c(C(=O)N(CC)Cc2ccc(N(C)C)cc2)o1	293494585	ZGVXCOGBBFFZAM-UHFFFAOYSA-N	315.417	3.274	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCO[C@@H](C(C)C)C2)c1O	294000024	MFTFESBTZIPAJC-OAHLLOKOSA-N	313.825	3.301	10	20	DGCD	
COC[C@]1(C)CCN(Cc2cc(Br)ccc2O)C1	294122718	DURQLAYEUGVFEZ-CQSZACIVSA-N	314.223	3.013	10	20	DGCD	
CCOc1ccc(O)c(CNCc2cc(F)cnc2Cl)c1	295127819	ODMJYTRDUZAPNX-UHFFFAOYSA-N	310.756	3.268	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H](O)c1ccc(Cl)cc1)CC2	296240659	ATCKIEUGYGVTPQ-HOCLYGCPSA-N	303.789	3.356	10	20	DGCD	
CC[C@H](CSC)NCc1ccc(Br)cc1O	691468516	USAAEZXVKYXSCI-LLVKDONJSA-N	304.253	3.386	10	20	DGCD	
Oc1cc(Br)ccc1CNCCOC1CCCC1	691478812	YHCXUBQIVIWWQF-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O	724925217	JUODFVNZULHSHF-YPMHNXCESA-N	324.396	3.191	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)Cc2ncc[nH]2)c1C	731856753	VEDJOSQXEMQZAC-UHFFFAOYSA-N	322.412	3.398	10	20	DGCD	
CC(C)COC[C@H](O)CN(Cc1ccccc1O)C1CCCC1	733613226	FYWATBOIXGISTK-GOSISDBHSA-N	321.461	3.170	10	20	DGCD	
Cc1ccccc1CNC(=O)NCc1ccc2c(c1)CCCN2C	746985429	ONPCNZDPTABKSZ-UHFFFAOYSA-N	323.440	3.377	10	20	DGCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)C1(CC)CC	749559412	RYISOFVFQDVPHG-JKSUJKDBSA-N	320.433	3.175	10	20	DGCD	
Cc1ccc(NC(=S)NCc2cccc(N(C)C)n2)cc1C	754694299	ZBUIXFHJEOPNGM-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
CCCC(O)(CCC)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	756591421	GKPLLZLRQXJSQR-ZDUSSCGKSA-N	323.433	3.161	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCOC(C)(C)[C@H]2C)c1O	763415375	JKIFWPZROZAMOY-LLVKDONJSA-N	311.809	3.248	10	20	DGCD	
CO/C(=C\c1ccccc1)C(=O)N(C)Cc1ccc(N(C)C)cc1	763995309	MILIWWJGUZGUSF-RGEXLXHISA-N	324.424	3.399	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1	766908786	DUDYNUZLWFJHEQ-KBXCAEBGSA-N	323.440	3.445	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1F	769326256	GYWATQUGACKCLK-INIZCTEOSA-N	322.424	3.198	10	20	DGCD	
C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccccc1O	770504551	IZLISEHPMQFEJR-ZIAGYGMSSA-N	320.433	3.127	10	20	DGCD	
COc1cc(O)c(CNc2cccc(OC)c2F)cc1OC	770666268	KMVGEWFSJULVGL-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CO)c2cccc(F)c2)cc1	773832933	TUUDWEOKEIEILP-SFHVURJKSA-N	302.393	3.105	10	20	DGCD	
C[C@H](NC(=O)c1nc(Cl)ccc1F)c1ccc(N(C)C)cc1	773991447	XYPIZNVUJIWEKS-JTQLQIEISA-N	321.783	3.431	10	20	DGCD	
C[C@@H](CCO)C1(CNCc2cc(Cl)cc(F)c2O)CCC1	776256605	CVRFHIHWMXBKNY-NSHDSACASA-N	315.816	3.463	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N(C)c1ccc(N(C)C)cc1	776828666	LLZNVAWCWJUMON-KTKRTIGZSA-N	301.415	3.194	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)CO1	792793581	GHQYUBZJEWBFQL-RYUDHWBXSA-N	316.367	3.381	10	20	DGCD	
CC[C@@H](NCCC(=O)Nc1ccccn1)c1ccc(C)cc1O	794804518	NNUGOFXQCSJBMN-OAHLLOKOSA-N	313.401	3.165	10	20	DGCD	
Cn1ncc2c(NCCCSc3nccs3)ccnc21	804451989	BSSXNSVZQBHOHE-UHFFFAOYSA-N	305.432	3.019	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(-n2ccnn2)c1	806138202	XADOZTCDECPWJH-AWEZNQCLSA-N	320.396	3.053	10	20	DGCD	
COCC[C@@H]1COCCN1Cc1cc(C(C)C)c(C)cc1O	812297429	HRCAKKKGUNWOOL-MRXNPFEDSA-N	307.434	3.061	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2cc3ccccc3n(C)c2=O)c1	813881866	WPHGQQXLECNRQR-AWEZNQCLSA-N	322.408	3.403	10	20	DGCD	
Cc1csc(CCNCc2cc(Cl)c(F)cc2O)n1	816535558	SGSVHLPBFWDJNC-UHFFFAOYSA-N	300.786	3.282	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)c3cc(C)on3)C2)cc1	818342096	LMIXMTMVZRARMC-HUUCEWRRSA-N	315.417	3.169	10	20	DGCD	
CCCC1(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	819584895	SZPGAEXWSQRXKN-HNNXBMFYSA-N	316.445	3.218	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(C(F)(F)F)CCC2)c1	825736517	BFHDOCMHSYFMHS-VIFPVBQESA-N	317.307	3.311	10	20	DGCD	
Cc1cccc(CNCc2cccc3c2OC(F)(F)O3)c1O	827757562	DXRIVNUPNHXUIY-UHFFFAOYSA-N	307.296	3.312	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CCC1CC1	840478678	AYWVSTRVMHAAHA-HNNXBMFYSA-N	317.477	3.434	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(C)CCCn1ccnc1C	840947946	DQRSNHHLCQXFSB-UHFFFAOYSA-N	300.450	3.088	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCCC[C@@H]2C2CC2)cc1	841045300	JRVQKYCZJGECGW-GUDVDZBRSA-N	301.478	3.311	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](CCO)c2ccccc2F)c1	842763156	LWIHTPXEORFDOV-KRWDZBQOSA-N	319.376	3.143	10	20	DGCD	
COC/C(C)=C/C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	845116053	BWJNLUGRPLGKPJ-DTQAZKPQSA-N	316.445	3.228	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@@H](C(F)(F)F)C2)c1	845971212	INPTUUXQTJZMJO-IMSIIYSGSA-N	319.323	3.161	10	20	DGCD	
O=C(CSc1ncc(Cl)s1)NC(C1CC1)C1CC1	849999451	RUTJBWOWZLTVHV-UHFFFAOYSA-N	302.852	3.193	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCOC(C)(C)C)c1	850524290	BGTPQJVDQPVIDP-LBPRGKRZSA-N	309.406	3.035	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCCc3occc32)c1	858132450	DPBBFAJMQQFBMX-AWEZNQCLSA-N	300.358	3.170	10	20	DGCD	
CCN(Cc1ncc(C)[nH]1)Cc1cc(Br)ccc1O	862250891	RNWCQVWDBZEXNC-UHFFFAOYSA-N	324.222	3.208	10	20	DGCD	
CC(C)CNC(=O)c1cccc(CN(C)c2ccc(N)cc2)c1	863558020	ZOAZGFYYRZQBQE-UHFFFAOYSA-N	311.429	3.291	10	20	DGCD	
COc1ccc2c(c1)OCC[C@@H]2NCc1cc(F)cc(F)c1O	883018676	LMPYUHSXKYFCKY-HNNXBMFYSA-N	321.323	3.292	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCN(C)CC3)cc2)s1	883284054	CTLLMOGIPFYOJC-UHFFFAOYSA-N	315.486	3.098	10	20	DGCD	
CCCCN1CCC(NCc2cc(C)cc(OC)c2O)CC1	894207583	SQJZYNOXOHQSEX-UHFFFAOYSA-N	306.450	3.063	10	20	DGCD	
COc1ccc(CN2CCC[C@H]2c2ccncc2)c(O)c1OC	894450120	SDDRVUQIDBOKOJ-HNNXBMFYSA-N	314.385	3.142	10	20	DGCD	
COc1ccc(CN2C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)c(O)c1OC	894691992	MTUGRRABKULKAD-DARAHFNDSA-N	315.413	3.053	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC2(CCOCC2)[C@@H]1C1CC1	894862851	IYYYQWODHPMBMB-INIZCTEOSA-N	309.356	3.061	10	20	DGCD	
COC(=O)[C@@H]1CC[C@H](N[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)C1	903128587	CUCKCOQJGIPFMI-SRRSOLGSSA-N	307.365	3.011	10	20	DGCD	
CC[C@H](NCc1cc(N(C)C)ccn1)c1ccc(N(C)C)cc1	903202051	VEADLYPKMCICQT-IBGZPJMESA-N	312.461	3.455	10	20	DGCD	
c1ccc(-n2ccc(CNCc3ccc4c(c3)CCCO4)n2)cc1	921610578	VFRWLNYVYTZALQ-UHFFFAOYSA-N	319.408	3.487	10	20	DGCD	
Cn1ncc2ccc(CNCc3ccc4c(c3)CCCO4)cc21	922141338	QCBQXRFUBQAKTF-UHFFFAOYSA-N	307.397	3.188	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1cnn(C2CCCC2)c1	925832797	UBBHOOAIHXIXSU-UHFFFAOYSA-N	314.389	3.368	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCCC[C@@H]1C1OCCO1	1116444525	XECYEQDNHBPCDP-GOSISDBHSA-N	316.445	3.014	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1Cc2ccccc2NC1=O	1329755006	PGSHFRLEBQCVIZ-DAXOMENPSA-N	322.408	3.402	10	20	DGCD	
C[C@@H](N[C@H]1CCCC12CCOCC2)c1cc(C(=O)O)ccc1O	1593225809	YJQAKCYUCLTLPA-WBMJQRKESA-N	319.401	3.090	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)c1ccncc1C(=O)O	1777071270	ZDXUJJSEGCDOCM-UHFFFAOYSA-N	311.385	3.016	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCc1cn2cccnc2n1	29036240	BPWIZUXDUPFHAU-UHFFFAOYSA-N	321.409	3.422	10	20	DGCD	
Oc1cc2c(cc1CNCCSc1ccccc1)OCO2	42880258	FTFWULQKBPBYTN-UHFFFAOYSA-N	303.383	3.003	10	20	DGCD	
Cc1ccc(N2C(=O)/C(=C\c3csnn3)SC2=S)cc1	44024115	HXLZXJHTQBNCQP-IZZDOVSWSA-N	319.436	3.252	10	20	DGCD	
Cc1noc(COC(=O)c2sccc2-n2c(C)ccc2C)n1	52179811	QVWOEUUVJAMPNY-UHFFFAOYSA-N	317.370	3.204	10	20	DGCD	
CCOc1ccc(O)c(CN2CCc3ccc(OC)cc3C2)c1	92507733	SMWPVWUIYGMBPM-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C)c(F)c2)c1	114565517	DHQWIZPJPPYNRH-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CCc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n(C)n1	116219594	REBXOLDKDNZRSE-UHFFFAOYSA-N	323.400	3.037	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCC2(CC1)OCCO2	126062988	HLRBFNSBKNFXMR-UHFFFAOYSA-N	316.445	3.016	10	20	DGCD	
CC(C)(O)[C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1	154453939	SPRRNHZMQGUPAL-GOSISDBHSA-N	302.462	3.412	10	20	DGCD	
CN1CCCc2cc(CNC(=O)Nc3ccsc3)ccc21	157631881	SLFNWVWEWPFCAR-UHFFFAOYSA-N	301.415	3.452	10	20	DGCD	
CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	158042682	LFSBEJPXDCNXII-CQSZACIVSA-N	324.852	3.172	10	20	DGCD	
O=C(CCCn1cccc1)NCCCSc1nccs1	159517572	YBJRCWSECZBDNW-UHFFFAOYSA-N	309.460	3.023	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(F)cc2C#N)c1	182448018	LTGZORPNZDOSLA-NSHDSACASA-N	300.333	3.262	10	20	DGCD	
COC[C@H](Cc1ccccc1)N(C)Cc1cc(OC)ccc1O	187993086	VUBOXXSUQRKYPN-KRWDZBQOSA-N	315.413	3.090	10	20	DGCD	
COc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1F	192675489	NVGZPORHDKLKRU-UHFFFAOYSA-N	306.356	3.329	10	20	DGCD	
COc1cccc([C@H](C)CC(=O)NCCc2ccc(N)cc2)c1	237323791	DOCNQGSBHSPHPG-CQSZACIVSA-N	312.413	3.130	10	20	DGCD	
CN(C)c1ccc(CN(C)c2ccc(C(F)(F)F)nn2)cc1	270902957	GAGBGSZOHJRNGN-UHFFFAOYSA-N	310.323	3.198	10	20	DGCD	
CN(Cc1ccccc1O)S(=O)(=O)CC1(C)CCCCC1	274878738	OFOZCZQXDRWQHK-UHFFFAOYSA-N	311.447	3.124	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cncc(F)c1	282087495	YDXIRVXYAMCZQF-UHFFFAOYSA-N	303.337	3.370	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)C1CC1	297471734	LRHAUFFKTZFWHN-QGZVFWFLSA-N	320.433	3.129	10	20	DGCD	
Cc1nnc(-c2cccc(NCc3cc(F)ccc3O)c2)n1C	373136636	DEYFRUXJXRZBPB-UHFFFAOYSA-N	312.348	3.247	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1CCOc2cc(F)ccc21	492742464	NPISTVSKKAVDFO-PLNGDYQASA-N	304.346	3.029	10	20	DGCD	
CCC[C@@H](CNCc1ccc(Br)cc1O)OC	701189919	CKWUAUKETMBKGX-LBPRGKRZSA-N	302.212	3.059	10	20	DGCD	
C[C@@H]1N(Cc2cc(Br)ccc2O)CCOC1(C)C	708259240	WVXVAYQNTBEKCC-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cc4ccccn4c3)ccc21	733926414	LECKQBZMTXNJHY-UHFFFAOYSA-N	319.408	3.252	10	20	DGCD	
CCOc1ccc(N(CC)CCn2c(C)csc2=O)cc1	746159653	YBOLRXMTZZNGPM-UHFFFAOYSA-N	306.431	3.143	10	20	DGCD	
CCC(CC)(CC(=O)OC)NCc1ccc(N(C)C)c(F)c1	749287646	LKNGDTZKQOGWAB-UHFFFAOYSA-N	310.413	3.103	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3c[nH]nc3C2)cc1	750794473	OREPDFBAFOQNLE-UHFFFAOYSA-N	320.396	3.016	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1O	756771333	VKXKXBDQAWILPS-VOJFVSQTSA-N	319.351	3.155	10	20	DGCD	
CC[C@@H]1C[C@H](C)CN1C(=O)NCCCSc1nccs1	759602495	VYNAKAULFNUVFB-NWDGAFQWSA-N	313.492	3.455	10	20	DGCD	
CC[C@H](CC(F)(F)F)NCc1ccc(N2CCOCC2)cc1	760660901	QTASXIUIWWYOLZ-CQSZACIVSA-N	316.367	3.344	10	20	DGCD	
CCOc1ccc(O)c(CNCCSCC(F)(F)F)c1	769690334	QDHLIHMYWSSUCE-UHFFFAOYSA-N	309.353	3.176	10	20	DGCD	
CSc1nc2ncnc(NCc3ccccc3O)c2s1	771178827	LEXBNGIKUZPYPH-UHFFFAOYSA-N	304.400	3.126	10	20	DGCD	
CC(C)c1cc(NCc2ccc(N3CCOCC3)cc2)no1	777519191	KGHWSAQTNBTDKE-UHFFFAOYSA-N	301.390	3.247	10	20	DGCD	
CC(C)n1ncc2cc(NC(=O)c3cccc(O)c3O)ccc21	790742198	UAKXHGHJLRACRR-UHFFFAOYSA-N	311.341	3.281	10	20	DGCD	
CCOc1ccc(CN[C@H](C)c2c(F)cncc2F)c(O)c1	796527665	WPYOKEWNVXCAAH-SNVBAGLBSA-N	308.328	3.315	10	20	DGCD	
CC(C)Cn1ncc(NC(=O)c2cc(O)cs2)c1C1CC1	807855774	QSBZDIZHTWQEBC-UHFFFAOYSA-N	305.403	3.436	10	20	DGCD	
COc1cccc(O)c1CN(CCN(C)C)CC1CCCCC1	809737505	VKAXXWQJRGZSFY-UHFFFAOYSA-N	320.477	3.345	10	20	DGCD	
CN(C)c1ccc(CN2CCOCc3ccccc32)cc1F	811508476	RSYCJFOLKFNLMF-UHFFFAOYSA-N	300.377	3.429	10	20	DGCD	
Fc1cc(CN2CCC(C3CC3)CC2)ccc1N1CCOCC1	814172229	DEVUKWPVPGJDIL-UHFFFAOYSA-N	318.436	3.284	10	20	DGCD	
COc1ccc(CNCc2ccc3ccccc3c2O)c(OC)n1	816616488	YDZXADDTXKQNSH-UHFFFAOYSA-N	324.380	3.247	10	20	DGCD	
C[C@@H]1C[C@H](O)CN1Cc1ccc(N(C)Cc2cccs2)cc1	824272017	PPWGOUOQCLGXJN-PBHICJAKSA-N	316.470	3.340	10	20	DGCD	
C[C@H](N[C@H](C)Cc1cnn(C)c1)c1cc2c(cc1O)CCCC2	834896296	JXXOACPWINZWKK-KGLIPLIRSA-N	313.445	3.286	10	20	DGCD	
Oc1cccc2c1[C@@H](N[C@@H]1CCO[C@@H](c3ccccn3)C1)CC2	834903862	LUJBQKNSHBXUCU-UWWQBHOKSA-N	310.397	3.284	10	20	DGCD	
COc1cc(CN(C)[C@@H]2C[C@H](OC)C23CCC3)c(O)cc1C	840143657	WERQOAUXDSAHEL-SJORKVTESA-N	305.418	3.099	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC(c2ccncn2)CC1	840952952	CVGAAGMBCALXGO-UHFFFAOYSA-N	321.783	3.354	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc(Cl)cc1O)C(C)C	841755510	HZAKEPTXGOOFLJ-ABAIWWIYSA-N	312.841	3.199	10	20	DGCD	
COc1cc(C)cc(CN2C[C@H](C)OC3(CCCC3)C2)c1O	842644913	IXTGDNGTDAZLSE-AWEZNQCLSA-N	305.418	3.243	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2C[C@@H](CCC(=O)O)C2(C)C)cc1	849231920	LBTTYTXZDWLRHJ-ZBFHGGJFSA-N	304.434	3.122	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@H](C)CC2(C)OCCO2)c(O)c1	866426806	DWUCGZAOONZHGV-DZGCQCFKSA-N	307.434	3.449	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC[C@H]4CCC[C@@H]43)cc2)CC1	876638031	ABQQTDCBXWONEF-XLIONFOSSA-N	314.473	3.412	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCSCC3)cc2)CS1	876942771	FCQJVCLNDGEROM-DZGCQCFKSA-N	308.516	3.223	10	20	DGCD	
CC[C@H]1CC[C@@H](C)N1Cc1ccc(N2CCC(O)CC2)cc1	877531448	MXCZQNMJGQPGOF-WBVHZDCISA-N	302.462	3.411	10	20	DGCD	
C[C@H](Cc1cccnc1)NCc1cc(Br)ccc1O	897969116	FFJJLYUTNAFHNX-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
COc1cc(CCNCc2ccc3c(c2)CCCO3)ccc1O	921742552	GZABKGCNPLMMQW-UHFFFAOYSA-N	313.397	3.058	10	20	DGCD	
CCOCc1cc(CN[C@H](CC=C(C)C)C(=O)O)ccc1OC	1329310827	PXQIUCLAZROIBM-MRXNPFEDSA-N	321.417	3.131	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)COC(F)F)c2C)c1	1335347299	NIIBXSVNDUEXPE-UHFFFAOYSA-N	322.355	3.258	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@H](Cc2ccccc2)C2CC2)cc1	1346340729	TWZARMBUGOOJPL-GOSISDBHSA-N	309.413	3.089	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1	1358148540	QNMMVVOPAUPCFD-HIFRSBDPSA-N	304.434	3.135	10	20	DGCD	
C[C@@H]1C[C@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1	1521095369	HICAICPGKCWTOK-IUODEOHRSA-N	312.417	3.154	10	20	DGCD	
NCCCCCCC(=O)NCc1c(O)ccc2ccccc12	1580292559	BOHYNAZOBHNCAL-UHFFFAOYSA-N	300.402	3.071	10	20	DGCD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1592259267	KPOBGAYPDFFRNW-CHWSQXEVSA-N	323.400	3.293	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)c(Cl)n1	1600419181	LODOIYPHZMIKJZ-JTQLQIEISA-N	320.776	3.298	10	20	DGCD	
Cc1cccc(NC(=S)NNc2ccc(C(=O)O)cc2)c1	7521966	OGQGTAVZJSMLMF-UHFFFAOYSA-N	301.371	3.007	10	20	DGCD	
CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(F)ccc1O	77472453	YJQFEMWRWBZXGU-AWEZNQCLSA-N	306.724	3.381	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)Cn2cccn2)cc1F	152059543	WQTWBAZQSHRHSL-CQSZACIVSA-N	304.413	3.047	10	20	DGCD	
Cc1cc(O)c(CN(C)Cc2ccc([S@](C)=O)cc2)cc1C	176124281	SNGHTBOUUAZGOO-QFIPXVFZSA-N	317.454	3.378	10	20	DGCD	
CCN(CC(C)C)C(=O)NCCCSc1nccs1	177852832	SOZAJBXTIIYELW-UHFFFAOYSA-N	301.481	3.313	10	20	DGCD	
C[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1cc(Cl)ccc1O	185443972	BMDXFEXVBXMTIT-GFCCVEGCSA-N	324.852	3.345	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@@H](C)c1ccc2ccccc2c1O	185511425	XSAADLYQDJGYHD-MQIPJXDCSA-N	305.443	3.308	10	20	DGCD	
CCO[C@@H](CNCc1cccc(OC)c1O)c1ccccc1	194464999	NTQHNFLRTTZWSY-KRWDZBQOSA-N	301.386	3.268	10	20	DGCD	
C[C@@H](NCC1(CCO)CCCCC1)c1cc([N+](=O)[O-])ccc1O	273624183	ZZTGWQKNULVTNH-CYBMUJFWSA-N	322.405	3.284	10	20	DGCD	
COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(O)cc1C	277587661	VHPZCWJQVSMKHM-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
CC[C@H](NCC1([S@](C)=O)CCC1)c1ccc(N(C)C)cc1	281104324	QYVQAEZPFCJUNM-KKSFZXQISA-N	308.491	3.095	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCCCC(=O)OC	282434450	HSCSSBJEXWSUMB-UHFFFAOYSA-N	321.417	3.254	10	20	DGCD	
COCCCOc1ccc(CNCc2ccccc2O)cc1	285605339	PSWDNLXOCUXTOL-UHFFFAOYSA-N	301.386	3.097	10	20	DGCD	
CC[C@@H](NC[C@@H](O)c1ccc(OC)cc1)c1ccc(F)cc1O	285811589	VVSITTMKXJSASW-SJLPKXTDSA-N	319.376	3.314	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](C)c2c(F)cncc2F)c1O	285899231	ZRCNSKVGIFCLGU-MRVPVSSYSA-N	324.302	3.258	10	20	DGCD	
C[C@H](NCc1nc(C2CC2)n[nH]1)c1cc2c(cc1O)CCCC2	295837955	AICXWUKHLJNNCH-NSHDSACASA-N	312.417	3.117	10	20	DGCD	
Cc1c(CNC(=O)N[C@H](C)c2ccccn2)n(C)c2ccccc12	349137174	CBHXETQVEUOWMZ-CQSZACIVSA-N	322.412	3.442	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1F	378338182	XXXGJUVIJITZBH-OAHLLOKOSA-N	316.424	3.005	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	437015801	GHOPBCCJQBXYRO-SOUVJXGZSA-N	314.429	3.304	10	20	DGCD	
Cc1ccc2nc(CNCc3cc(Cl)ccc3O)cn2c1	729681045	PUCFKEPAFLFDKI-UHFFFAOYSA-N	301.777	3.292	10	20	DGCD	
C[C@@H](NC[C@]1(C)CCOC1)c1cc(Br)ccc1O	756576457	UNZIDDPFJJFTJZ-YGRLFVJLSA-N	314.223	3.232	10	20	DGCD	
CCc1nncn1CCN[C@H](C)c1ccc2ccccc2c1O	756622754	YCRXLLFCVBDHPL-CYBMUJFWSA-N	310.401	3.050	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1cc(F)cc(F)c1O)C(=O)OC(C)(C)C	756660261	UNLNZJDGNYXKJD-TVQRCGJNSA-N	315.360	3.441	10	20	DGCD	
C[C@H](N[C@@H](CO)[C@H](C)c1ccccc1)c1ccc(F)cc1O	756713186	VWMMOGDFACQNTQ-IGCXYCKISA-N	303.377	3.347	10	20	DGCD	
C[C@H](O)C[C@@H](C)N[C@@H](C)c1cc(Br)c(F)cc1O	757655913	LORGIXKDKYDVAI-VGMNWLOBSA-N	320.202	3.104	10	20	DGCD	
CCO[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C(C)C	760365912	RNVUUUNIXDQWME-GOSISDBHSA-N	318.461	3.354	10	20	DGCD	
Cc1cccc(C(=O)NCc2cccc(Br)c2O)c1	765766460	WKJYTCJRKKEOOS-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
COc1cccc(O)c1CN1CCO[C@@](C)(c2ccccc2)C1	769399365	PKGVBHPHCURGLH-LJQANCHMSA-N	313.397	3.148	10	20	DGCD	
COc1cccc(O)c1CN1CCc2c(F)cc(F)cc2C1	769531498	BXEUBEFGIXZQSI-UHFFFAOYSA-N	305.324	3.237	10	20	DGCD	
COc1cccc(NC(=O)N(C)Cc2ccccc2O)c1F	771251133	ZMZFNWMWEIHVMN-UHFFFAOYSA-N	304.321	3.204	10	20	DGCD	
CC[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1	773105577	HWXYOTQFKKWLIE-JSGCOSHPSA-N	304.356	3.107	10	20	DGCD	
CC[C@@H](NCc1cnn(CC(F)(F)F)c1)c1ccccc1O	775513880	OCXSXQNCIQRSTM-CYBMUJFWSA-N	313.323	3.392	10	20	DGCD	
CC[C@@]1(O)CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	779335240	GQBLOCSLGGIEOA-LJQANCHMSA-N	312.413	3.081	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1coc2ccccc12	779521257	LSMWUGCWRGQQOO-VURMDHGXSA-N	309.321	3.174	10	20	DGCD	
CCC[C@H]1C[C@H](C(=O)NCc2ccc(N(C)C)cc2C)CCO1	779916579	UMHDURKBNNKSRZ-QAPCUYQASA-N	318.461	3.273	10	20	DGCD	
COc1cc(C)ccc1C(=O)NCc1ccc2c(c1)CCCN2C	780517590	JVEJDKIFDGNSCH-UHFFFAOYSA-N	324.424	3.316	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]2CCCC[C@H]12	782252162	VHVFVTJFGQMIHY-OLMNPRSZSA-N	315.461	3.473	10	20	DGCD	
CC(C)[C@@H](CNCc1c(O)cccc1Cl)c1ccnn1C	788074815	DTKHLYHRCATNAE-GFCCVEGCSA-N	307.825	3.309	10	20	DGCD	
COc1ccc(CNCc2cc3cc(OC)ccc3o2)c(O)c1	793387330	DFMHJJAUAHLNPV-UHFFFAOYSA-N	313.353	3.445	10	20	DGCD	
C[C@H](NCc1ccc(C[S@](C)=O)cc1)c1ccccc1O	797132154	KQPPVOSFQDDIGI-ZSEKCTLFSA-N	303.427	3.122	10	20	DGCD	
CCCN(CCN1CCCCC1)Cc1cc(OC)ccc1O	809705643	YLZQOPWMUDOXNN-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
OC[C@@H](CNCc1cc(F)ccc1O)c1ccc(Cl)cc1	809779512	PQOUNQZORCDWTI-CYBMUJFWSA-N	309.768	3.050	10	20	DGCD	
C[C@@H](c1ccccc1)N(C)C(=O)COc1ccc(N(C)C)cc1	810002437	XHFHYFSBFDVGNN-HNNXBMFYSA-N	312.413	3.351	10	20	DGCD	
Cc1cc(O)c(CNCc2cc3ccccc3n(C)c2=O)cc1C	813790406	ONYKLQQQSUXXPV-UHFFFAOYSA-N	322.408	3.151	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC3(CCC3)[C@H]2C(C)C)c1O	814171268	MWGGAGYSYZXMRU-MRXNPFEDSA-N	320.389	3.320	10	20	DGCD	
CC(C)[C@@H](CNCc1cc(Cl)c(F)cc1O)N1CCCC1	816534266	CPNCOPDBCJUQLG-OAHLLOKOSA-N	314.832	3.395	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1Cl	826910441	HWFOUOGKQZVVOJ-UVARLRKDSA-N	315.866	3.133	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(F)(F)CC)cc1F	826942369	OZSMINQBTUELSZ-UHFFFAOYSA-N	302.340	3.333	10	20	DGCD	
Oc1c(Cl)cccc1CN[C@H]1COc2cc(F)ccc2C1	827261091	UOEHOASEBSJHAY-CYBMUJFWSA-N	307.752	3.278	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC/C=C/c2ccc(F)cc2)cc1	841046055	VJYDAJFRUILBEW-RTLBZRNLSA-N	313.420	3.195	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)[C@H]1C	841580836	LRUYVVRLWKMQER-OWCLPIDISA-N	313.445	3.249	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCCCS1	845103899	AKWAPBHZFBFIQZ-GFCCVEGCSA-N	314.838	3.131	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cccc(OC)c2O)n[nH]1	846167013	QRPGHNGCGDBEKQ-TUAOUCFPSA-N	318.421	3.444	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC[C@H](C3CCCCC3)C2)cc1	851662216	CNZWHXMENQYMJG-KRWDZBQOSA-N	315.461	3.423	10	20	DGCD	
Cc1cc(CN(C)[C@H]2C[C@@H](C(=O)O)C2)ccc1N1CCCCC1	851709419	OHWRNUISRAMMTM-CALCHBBNSA-N	316.445	3.280	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2cccc3c2OCO3)cc1F	858105860	UNFHVSYNYPBMHM-UHFFFAOYSA-N	320.339	3.049	10	20	DGCD	
CCn1ccc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1	863163655	LJXPEDXEFMBCIM-UHFFFAOYSA-N	322.412	3.241	10	20	DGCD	
COC(=O)Nc1ccc(CCNCc2ccc(C)cc2O)cc1	877061658	OYLMCEBOSSVJBR-UHFFFAOYSA-N	314.385	3.211	10	20	DGCD	
C[C@@H](NC[C@H](O)COc1ccccc1Cl)c1ccccc1O	879649361	RCRHSFVUAYXCAR-OLZOCXBDSA-N	321.804	3.136	10	20	DGCD	
O=C(NCCCSc1nccs1)N1CCC[C@@H](CF)C1	883517219	RFHNIPNHFOHILK-NSHDSACASA-N	317.455	3.016	10	20	DGCD	
C[C@H](NCc1cnn(CC(F)(F)F)c1)c1c(O)cccc1F	886540691	JGIIKNKFWPPRNA-VIFPVBQESA-N	317.286	3.141	10	20	DGCD	
CN(C)c1ccc([C@H](CNC(=O)CCC2CCC2)N(C)C)cc1	891254505	YLYYAFFCTQAOMB-SFHVURJKSA-N	317.477	3.052	10	20	DGCD	
COC(=O)[C@@H]1CC[C@H](N[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1	1331985269	VMAXFNRSTOCVMV-YIYPIFLZSA-N	303.402	3.180	10	20	DGCD	
CON(C[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N)cc1	1335737006	JJDFKWWZAHTEGK-HIFRSBDPSA-N	305.422	3.168	10	20	DGCD	
C[C@@H](NCCCCC(=O)O)c1cccc(C(F)(F)F)c1O	1589128107	KGIDAQVEGDPUSK-SECBINFHSA-N	305.296	3.317	10	20	DGCD	
CCN(Cc1ccc(C)c(-c2nn[nH]n2)c1)c1ccc(OC)cc1	1590719031	DXZMZWNHAZIOOD-UHFFFAOYSA-N	323.400	3.210	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2ccoc2C(=O)O)cc1	1596289803	OUHDKGWMASEJCZ-UHFFFAOYSA-N	316.401	3.456	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)c1nccs1	1604186069	VVUCWVQTGNUWKT-NXEZZACHSA-N	306.387	3.001	10	20	DGCD	
CCc1cccc(CN[C@@H](CC(=O)O)Cc2ccccc2)c1O	1605829087	YBIKSHDTUQWKPV-QGZVFWFLSA-N	313.397	3.130	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@@H](C(=O)O)c2cccs2)c1O	1610462635	PKLDEWSPAUAAGR-GFCCVEGCSA-N	311.790	3.331	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=CCCCO1	174472745	OJZOGSFVBVRJHN-UHFFFAOYSA-N	314.429	3.330	10	20	DGCD	
CC[C@@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1C	115280548	PFUFIXFKJZBEQH-GOSISDBHSA-N	318.461	3.415	10	20	DGCD	
CN(C)c1ccc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)cc1	301250979	BJADNMQFRPTJEN-UHFFFAOYSA-N	320.780	3.346	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c1O	175847732	LWBMTVWFUMPVIM-JSGCOSHPSA-N	320.433	3.415	10	20	DGCD	
C[C@@H]1CCN(Cc2cccc(Cl)c2O)C[C@@H]1n1ccnc1	180720054	PNIDRYUWTMGIGT-DOMZBBRYSA-N	305.809	3.325	10	20	DGCD	
C[C@@H](NCCC(=O)Nc1ccccc1)c1cc(F)ccc1O	185443834	QAPUFFBBNAEICK-GFCCVEGCSA-N	302.349	3.211	10	20	DGCD	
CC(C)c1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1	183470928	RHIAMTNBFQISCV-SNVBAGLBSA-N	320.414	3.039	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cnc(C(C)(C)C)s2)cc1	126657289	AAYCGPXNDHHYRT-UHFFFAOYSA-N	317.458	3.437	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC=CCC1	74333080	LYZYXYVHIBCBKS-AWEZNQCLSA-N	300.402	3.179	10	20	DGCD	
O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cccc(O)c1O	189061972	JDSZJXUBNWIQKQ-UHFFFAOYSA-N	310.309	3.369	10	20	DGCD	
CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	189410781	LCSPVNVMRFMKGY-IUCAKERBSA-N	319.232	3.216	10	20	DGCD	
CCOc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2CC)c1	42186094	KMQQJDOCKWBSKW-QGZVFWFLSA-N	312.369	3.377	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1O	320570289	QCPPYHQSWBHYGE-ZJUUUORDSA-N	315.348	3.113	10	20	DGCD	
CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cccc(C)c2O)C1	195196847	TVVPOTKUPNCRPJ-SFHVURJKSA-N	305.418	3.112	10	20	DGCD	
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cccc(O)c1O	193102445	STXDTHJHDRYQNV-OAHLLOKOSA-N	313.397	3.500	10	20	DGCD	
COC[C@H]1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	266009916	OYFFKSMQBZMNMW-INIZCTEOSA-N	312.413	3.203	10	20	DGCD	
C[C@@H](NCc1cccc(Cl)c1O)[C@H](O)c1cccc(F)c1	271858905	VLGQGKGTAPWURF-BMIGLBTASA-N	309.768	3.396	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)C1Cc2ccccc2C1	277122195	AEIKDBVWAROPFC-UHFFFAOYSA-N	320.436	3.318	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C)CC[S@@](C)=O)c1O	808706834	VYUVASWAIVIZHU-RMDKCXRXSA-N	303.855	3.162	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@@H](C)c1cc(Cl)cc(C)c1O	808697808	WATORWZNKLSGCU-OUJBWJOFSA-N	303.855	3.117	10	20	DGCD	
Cc1ccc(O)c(CN(CCc2ccccc2)CCN(C)C)c1	809730985	MVSDMHUMUAXQIE-UHFFFAOYSA-N	312.457	3.307	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H](CO)CC(F)(F)F)c1O	808707856	AXQQACXKCGBOIN-PSASIEDQSA-N	311.731	3.318	10	20	DGCD	
CCCN[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	294718907	HXTUYKHXGPWNFD-INIZCTEOSA-N	317.477	3.023	10	20	DGCD	
CC[C@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1O	806130349	WDEVCWNFCRQYPH-GJZGRUSLSA-N	318.804	3.313	10	20	DGCD	
CC(C)CCC[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819166372	VOZGYWPMYYMKIN-AWEZNQCLSA-N	318.417	3.371	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1	811790538	NCQJNAGBMYWQPW-RTBURBONSA-N	324.424	3.474	10	20	DGCD	
CC[C@@H](NCC1(C)OCCO1)c1ccc(C(F)(F)F)cc1O	810229111	SGTFMBVWXDKWHC-GFCCVEGCSA-N	319.323	3.215	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc3cc(C)ccc3n2)c(O)c1	816549916	CKVSDQZHEKJEPR-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
C[C@]1(C(=O)NCCc2ccc(N)cc2)CCc2ccccc2C1	818545146	LVBGTJASNCQEEN-FQEVSTJZSA-N	308.425	3.123	10	20	DGCD	
CC(C)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)nc1	810266312	ZZBNJBAFQXBVJQ-UHFFFAOYSA-N	315.392	3.340	10	20	DGCD	
CN(CC(C)(C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817923848	AOZITSMAKBRWHO-UHFFFAOYSA-N	317.458	3.434	10	20	DGCD	
CN(C)c1ccc(CN(C)c2nc(O)c3ccccc3n2)cc1	729469996	JNVMVQCKJBARGJ-UHFFFAOYSA-N	308.385	3.038	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@]3(CCSC3)C2)cc1OC	825215318	MFQBPSSKNUOUPN-KRWDZBQOSA-N	323.458	3.129	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1	825112246	SBWOMBOFXNDGJA-GJZGRUSLSA-N	324.424	3.157	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)cc(F)c1	734406234	RRUGVTAFRBVSQC-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
COC1(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCC1	839920658	CODBTLBDWWOZRF-HNNXBMFYSA-N	318.461	3.067	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@@H]1CCC[C@H](C)C1	734406708	ZJPWDYHCOJSDBO-KBXCAEBGSA-N	318.461	3.273	10	20	DGCD	
COc1ccc(CNC(=O)c2cccc3c2CCCC3)c(O)c1	831032475	DLKDQDZPLIENBG-UHFFFAOYSA-N	311.381	3.210	10	20	DGCD	
Cc1cc(CCNC(=O)c2ccon2)c(C)n1-c1ccccc1	747151738	XYOPJFUHAOHTAZ-UHFFFAOYSA-N	309.369	3.055	10	20	DGCD	
CC1=CCCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1	840481642	KYZWXUDMFUXLBG-MRXNPFEDSA-N	315.461	3.354	10	20	DGCD	
CCC[C@H]1[C@@H](C)CCCN1C(=O)NCCc1ccc(N)cc1	841955328	ZDMOBVPGWHYGJD-YOEHRIQHSA-N	303.450	3.422	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)CCc1ccccc1	840940383	ZTBPIVHWSREKQT-FQEVSTJZSA-N	312.457	3.144	10	20	DGCD	
CCc1cccc(CN[C@H](C)[C@@H](O)c2ccc(F)cc2)c1O	848896497	BQFUMVDHCASCPR-SJKOYZFVSA-N	303.377	3.305	10	20	DGCD	
COc1cccc([C@H](C)NC2CCN(C(C)(C)C)CC2)c1O	846147252	UAJYCEMGZUYFIE-ZDUSSCGKSA-N	306.450	3.314	10	20	DGCD	
CSc1ccc(CNC[C@@H](N)c2ccc(N(C)C)cc2)cc1	841041198	BTVGJMUXMMZAST-GOSISDBHSA-N	315.486	3.264	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H]1C	840714887	NHBXMZJTJHEHEO-KMFMINBZSA-N	306.425	3.187	10	20	DGCD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1	841788084	RHAJDQMFVVBAQF-NVXWUHKLSA-N	303.450	3.469	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCN2CCC[C@@H]2C1	840895495	YUQZXTAIXZYMOS-XKGZKEIXSA-N	315.505	3.208	10	20	DGCD	
O=C(Cc1ccco1)N(Cc1ccco1)Cc1ccccc1O	752089521	YOLNWIMRNQYONZ-UHFFFAOYSA-N	311.337	3.350	10	20	DGCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@@H]3C[C@H]3C2)c1O	853576925	GXWAYFPZTYFNND-CABCVRRESA-N	323.392	3.171	10	20	DGCD	
CSc1cc(CNCc2cc(F)c(N(C)C)cc2F)ccn1	858155505	CKAIOIXQIRAGNY-UHFFFAOYSA-N	323.412	3.438	10	20	DGCD	
O=C(CC[C@H]1CCOC1)NCc1ccc(N2CCCCC2)cc1	751362102	SWGZDFGAMMUSLW-KRWDZBQOSA-N	316.445	3.110	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C(C)(C)c2ccc(F)cc2)c1	862760085	LMCLGVZZBNUCMB-UHFFFAOYSA-N	301.361	3.434	10	20	DGCD	
Cc1nc([C@@H]2CCCCN2Cc2c(O)cccc2Cl)no1	768965459	WBIIYPCBMMZNRN-ZDUSSCGKSA-N	307.781	3.464	10	20	DGCD	
Oc1c(Br)cccc1CNc1ccc(C2CC2)nn1	762660082	VWXRZJCHSIVSHH-UHFFFAOYSA-N	320.190	3.434	10	20	DGCD	
CCCN(Cc1ccc(N2CCCC2)cc1)[C@H]1CCN(C)C1	1118201657	LUHRZBZECRNLOA-IBGZPJMESA-N	301.478	3.203	10	20	DGCD	
Cc1cccc(O)c1CN1CCOC[C@@H]1c1ccc(F)cc1	877571437	ZCCIQHUTBOJQEQ-QGZVFWFLSA-N	301.361	3.413	10	20	DGCD	
Cc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)sc1C	770546052	PYFBUJNYHCFPFM-UHFFFAOYSA-N	316.426	3.274	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773014286	LGCMGAMWDBDHED-VXGBXAGGSA-N	315.417	3.338	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@]1(O)CCC[C@H](C(F)(F)F)C1	877460263	RZOICYULMLINGS-SWLSCSKDSA-N	317.351	3.274	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCCCc1nccs1	777485340	VACMSIPQKWPDTI-UHFFFAOYSA-N	300.786	3.364	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](F)Cc2ccccc2)c1	778390172	LOYVJUAZTNXWMX-LRDDRELGSA-N	317.360	3.159	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1C[C@@H](C)Oc2ccccc21	776839126	OVWVLZOCZJWBDO-SKVAFPRGSA-N	300.383	3.279	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)OCCO2)c1c(O)cccc1F	886489281	DWWIQFZRTPZJRM-LLVKDONJSA-N	303.333	3.153	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1C[C@@H](C)Oc2cc(F)ccc21	784045947	CQGXDNBTMIWETH-VUUYWXRKSA-N	312.344	3.356	10	20	DGCD	
C[C@H]1CN(c2ccc(CN[C@@H]3CC[C@H]3C)cc2F)C[C@@H](C)O1	783220456	DZRQDYINIIXOTA-VWPFQQQWSA-N	306.425	3.327	10	20	DGCD	
COc1ccc(CNCc2cc(C)cc(C)c2)c(O)c1OC	895358273	PGYSKQZNTULQEX-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
COC[C@H]1CCCCN(Cc2c(O)ccc(Cl)c2F)C1	792175666	XOKYGTNCZZDMPQ-NSHDSACASA-N	301.789	3.433	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1-n1ccnn1	796740234	YTMZZJFXXUHSCW-CQSZACIVSA-N	320.396	3.053	10	20	DGCD	
Cc1cc(NCc2cc(Cl)cc(F)c2O)ccc1C(N)=O	798085694	UVVKGMFONOHXFF-UHFFFAOYSA-N	308.740	3.204	10	20	DGCD	
COCCCN(CCOC)Cc1cc(Cl)cc(Cl)c1O	133087866	MBAQWUPMEXHSOE-UHFFFAOYSA-N	322.232	3.184	10	20	DGCD	
CCC(=CC(=O)NCCCNCc1ccc(OC)c(C)c1)CC	1156488773	YCICXYQCFXTISJ-UHFFFAOYSA-N	318.461	3.346	10	20	DGCD	
CCC(=O)N[C@@H](C)CCCCNCc1ccc(OC)c(C)c1	1168617189	ICXBGCYOZYPUMP-HNNXBMFYSA-N	306.450	3.178	10	20	DGCD	
COc1ccc(CNCCCCCCNC(=O)C2CC2)cc1C	1177721960	UGNOZIIUEAJAKQ-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCc1cccc(C(N)=O)c1	1320419353	DUBXTSMVOXATJS-BBRMVZONSA-N	324.424	3.180	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc([C@@H]2C[C@@H]2C(C)(C)C)n1C	1339571734	PKORYGTUOCNCSF-KGLIPLIRSA-N	314.433	3.307	10	20	DGCD	
COCc1ccccc1CNCc1cc(C)cc(OC)c1O	1350309895	MVWLUSFHEPZGBX-UHFFFAOYSA-N	301.386	3.145	10	20	DGCD	
C[C@@H]1C[C@@H](C)N(c2nnc(-c3sccc3O)n2CC2CC2)C1	1520582132	ZXRIJUFAAKXKTH-GHMZBOCLSA-N	318.446	3.357	10	20	DGCD	
O=C(O)c1cnc(SCc2nc(-c3ccccc3)no2)s1	1608979345	WHPWWPIYAQSTIM-UHFFFAOYSA-N	319.367	3.184	10	20	DGCD	
C[C@@]1(c2ccccc2)CCCN(C(=O)Cc2ccc(N)cc2)C1	158612796	WSRXCWLPLLVIDR-HXUWFJFHSA-N	308.425	3.392	10	20	DGCD	
COc1ccccc1C/C(C)=C/C(=O)NCCc1ccc(N)cc1	152517216	PPXVPGZIZYLHCM-CCEZHUSRSA-N	324.424	3.125	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccc1)C1CC1	117570569	TWYZUOLUXKDAPS-BQHJZSHBSA-N	309.365	3.379	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)c3cccnc3)CC2)cc1	112541430	HBPKVPJUBOVIKM-HNNXBMFYSA-N	311.429	3.410	10	20	DGCD	
COc1cc(OC)cc(N(C)C(=O)/C=C/c2cnc(C)s2)c1	188229028	CTFGKDWKLJMSIA-AATRIKPKSA-N	318.398	3.145	10	20	DGCD	
C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(N2CCOCC2)cc1	68512949	AZVDVOBXPJUUPF-CVEARBPZSA-N	314.429	3.057	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2)[nH]1	179089458	MFLSLIHMNNMSCX-UHFFFAOYSA-N	322.364	3.065	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@H](C)c2cccs2)cc1F	121723357	LAPIPVYBVCYTIZ-LLVKDONJSA-N	322.405	3.209	10	20	DGCD	
Cc1cc(O)c(CN2CCSC[C@@H]2c2cnn(C)c2)cc1C	189877322	YRTRWTAWARQJBR-MRXNPFEDSA-N	317.458	3.033	10	20	DGCD	
CCOc1ccc(O)c([C@H]2NC(=O)c3c(Cl)cccc3N2)c1	78788157	VQXZQACWZKNCDG-OAHLLOKOSA-N	318.760	3.298	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1c(F)cccc1F	121972398	GTAZBAFWVJPZGK-GFCCVEGCSA-N	318.367	3.451	10	20	DGCD	
C[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1cc(F)ccc1O	186230738	CAVVEUFUNNVVMQ-GXTWGEPZSA-N	309.381	3.258	10	20	DGCD	
CCCOc1ccc(CN(C)CCc2ccncc2)c(O)c1	183760152	QQEYZLCCJWXWCC-UHFFFAOYSA-N	300.402	3.251	10	20	DGCD	
COc1cccc(CN(C)c2cc(OC)c(OC)c(OC)c2)c1	131063487	QGLFREPATIIKCX-UHFFFAOYSA-N	317.385	3.357	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC(C)(C)C2)c1O	45698593	RGYHXLXTSIVVCM-SNVBAGLBSA-N	311.809	3.248	10	20	DGCD	
CC(C)(CNCc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C	83475289	FBGVUBPGSBXEBM-UHFFFAOYSA-N	320.433	3.014	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](C)N2CCC[C@H](C)C2)c1	248497389	LTINEIPKWMNXIG-ZNMIVQPWSA-N	306.450	3.172	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](C)N2CCC[C@@H](C)C2)c1	248497387	LTINEIPKWMNXIG-KFWWJZLASA-N	306.450	3.172	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1N	251847916	RMBLKQAFSIOOPO-TVQRCGJNSA-N	303.233	3.258	10	20	DGCD	
CCn1cnc2c(NCc3c(O)ccc4c3CCCC4)ncnc21	266293316	XBQGRLGCDRMBLZ-UHFFFAOYSA-N	323.400	3.043	10	20	DGCD	
C[C@@H](N[C@H]1CCSC1)c1cc(Br)ccc1O	273519039	SYZUOHXQHNSUMS-SCZZXKLOSA-N	302.237	3.311	10	20	DGCD	
COCCC1(CNC(=O)NCc2ccccc2O)CCCCC1	274962838	UJMWLNQHWJEIQW-UHFFFAOYSA-N	320.433	3.178	10	20	DGCD	
Cc1cccc(CC2(O)CCN(Cc3ccccc3O)CC2)c1	279818347	PEGNVLQCOWGCLH-UHFFFAOYSA-N	311.425	3.270	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3nnc(C)n3C)c2C)c1	273205528	RFGLAGCRKULJRL-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
O=C1CCCCN1[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	372412866	AIKQPYPNPNUBPE-HNNXBMFYSA-N	322.836	3.023	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCCO1	281226235	BZBGRRKNLVABNR-AWEZNQCLSA-N	311.809	3.249	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ncoc1C1CC1	293479702	MHALMYLZUKBQOL-UHFFFAOYSA-N	311.385	3.082	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)OCCCCF)cs2)cc1	803428415	FIZMEJAPVSWWMT-UHFFFAOYSA-N	308.378	3.223	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN2CCC(O)CC2)cc1	294538181	IDGCWNQQFYFFAY-UHFFFAOYSA-N	316.470	3.341	10	20	DGCD	
COc1ccc(CNCc2ccc(N(C)C)cc2)c(C)c1OC	808376003	OBRMBDZCZWMAIE-UHFFFAOYSA-N	314.429	3.368	10	20	DGCD	
COc1cccc(CNCc2ccc(F)c3cccnc23)c1O	809739605	PMLLERCHUQTDMJ-UHFFFAOYSA-N	312.344	3.378	10	20	DGCD	
COc1ccc(O)c(CN[C@H](c2cccs2)C(C)(C)CO)c1	296037408	OSXSOJITDWRPTI-MRXNPFEDSA-N	321.442	3.312	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](O)Cc2cccc(F)c2)c(O)c1	297250531	JFUXZUCXEZRODB-BBRMVZONSA-N	303.377	3.094	10	20	DGCD	
CCCC[C@@H](COC)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	818342160	MTAYWQIAAUKFRG-IRXDYDNUSA-N	320.477	3.316	10	20	DGCD	
CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccccc1O	812022506	LKFFLOFPPRHESV-UHFFFAOYSA-N	312.373	3.208	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](CO)c2ccc(F)cc2)cc1Cl	826121259	OCFIMDAWVVLMRI-CQSZACIVSA-N	323.795	3.359	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNCc1nc(C2CC2)n[nH]1	824603711	YYXOXURKRNBPQU-UHFFFAOYSA-N	320.396	3.345	10	20	DGCD	
CC[C@H](N[C@H]1CCCN(CC)C1=O)c1cccc(Cl)c1O	903388223	LYQLPJZYPUJOLT-KBPBESRZSA-N	310.825	3.097	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@](C)(CC)OC)cc1	836242449	NKWSCGYSLNQGTR-SFHVURJKSA-N	321.465	3.147	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cnc3ccsc3c2)cc1	741887355	CQSGUYXUJMIMIT-UHFFFAOYSA-N	311.410	3.292	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1cccc2c1OCCCO2	843057787	VOPDSYXPSWKYLE-UHFFFAOYSA-N	324.424	3.259	10	20	DGCD	
Fc1cc(CN2CC[C@H](C3CCC3)C2)ccc1N1CCOCC1	840977220	GJRDUYOJBOXZCM-KRWDZBQOSA-N	318.436	3.284	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CC=CC1	840326578	JTQRCSVWXNMUHT-CQSZACIVSA-N	301.434	3.010	10	20	DGCD	
C[C@@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1	840883411	ZMZKWIIFEPGODK-PBHICJAKSA-N	316.420	3.318	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(CN)cc2F)c2c(O)ccc(F)c21	844923743	JRXYCQUFQDCRJQ-ZUZCIYMTSA-N	318.367	3.467	10	20	DGCD	
CCC[C@]1(C)CCCN(C(=O)NCCc2ccc(N)cc2)C1	841958739	SCRQJGHHEAJAKH-GOSISDBHSA-N	303.450	3.423	10	20	DGCD	
CCN(CCOc1ccccc1OC)C(=O)c1cc(O)cs1	856313885	ZIHXHEDJOBFQTQ-UHFFFAOYSA-N	321.398	3.003	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)CCc2ccco2)c1	756357806	PSFBNMXPKQVUFJ-STQMWFEESA-N	317.385	3.444	10	20	DGCD	
O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)c1cc(O)cs1	855114826	MRCFFALJWIHELZ-HNNXBMFYSA-N	317.410	3.087	10	20	DGCD	
Cc1ccc(O)c(CNCc2c(C)nn(-c3ccccn3)c2C)c1	858238554	ALFLACJMMGTJFL-UHFFFAOYSA-N	322.412	3.188	10	20	DGCD	
C[C@@H]1C[C@H](NCCC(=O)OC(C)(C)C)c2c(O)ccc(F)c21	756606991	LPTYKOQGTVYNRC-PWSUYJOCSA-N	309.381	3.401	10	20	DGCD	
COc1ccc(N(C)CC(=O)NC2CCC(C)CC2)cc1Cl	757856599	LLRATHQGHLLPDY-UHFFFAOYSA-N	324.852	3.480	10	20	DGCD	
C[C@@H]1CCCC[C@H]1OCCOC(=O)/C=C\c1ccc(O)c(O)c1	759789133	QAXJPXXTOPVGTO-XQUSNGRISA-N	320.385	3.250	10	20	DGCD	
CC(C)CCOC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	858918601	XTLOQDYLTHHONU-OAHLLOKOSA-N	320.433	3.357	10	20	DGCD	
CCOc1cccc(CNCC(C)(C)C(O)(CC)CC)c1O	850353592	IDBOISSYVMMUOJ-UHFFFAOYSA-N	309.450	3.458	10	20	DGCD	
CC1CCC(N(Cc2cc3c(cc2O)OC[C@@H]3O)C2CC2)CC1	768440466	WMRNOYDZMWRCCB-WFZFXDGQSA-N	317.429	3.361	10	20	DGCD	
COc1cccc(O)c1CN1CCC(OC2CCCC2)CC1	769230069	XGUGKBKYZHWWRE-UHFFFAOYSA-N	305.418	3.324	10	20	DGCD	
Cc1ccccc1CNC(=O)[C@H](C)N[C@H](C)c1ccccc1O	879649750	UCFNYDQDEGDIJY-CABCVRRESA-N	312.413	3.056	10	20	DGCD	
COC(=O)c1csc(CNCc2ccc(N(C)C)cc2C)c1	877030571	GIOSOMMTQMEIRF-UHFFFAOYSA-N	318.442	3.199	10	20	DGCD	
CCN(CC)C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775723346	FQXGJQXNTHDTDU-GFCCVEGCSA-N	314.832	3.348	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N1[C@@H](C)CCC[C@@H]1C	879650082	ZXCQMSJMXKTYFX-XQLPTFJDSA-N	304.434	3.221	10	20	DGCD	
Cc1cccc2c1C(=O)N[C@@H](c1cc(F)c(N(C)C)cc1F)N2	877847825	FGZUXFBTNKMAJC-INIZCTEOSA-N	317.339	3.193	10	20	DGCD	
Cc1ccc(CN2CCN([C@H](C)c3nccs3)CC2)c(O)c1	877380715	SAYNNURZZHRHPJ-CQSZACIVSA-N	317.458	3.036	10	20	DGCD	
C[C@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1	775834715	PIDMRCQTIPDWMY-RLFYNMQTSA-N	317.477	3.098	10	20	DGCD	
COc1ccc([C@@H](OC)[C@@H](C)NCc2cc(F)ccc2O)cc1	779106332	NLQTVVRNXMLRAA-XIKOKIGWSA-N	319.376	3.406	10	20	DGCD	
CCN(CC)c1ccc(CN2CCO[C@H](COC(C)C)C2)cc1	770688540	MMRZOUUSPARNAR-IBGZPJMESA-N	320.477	3.159	10	20	DGCD	
COc1cccc(CNc2ncncc2-c2ccccc2)c1O	774680526	URNWGNKYZOOMSU-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1[C@@H]1CCCO1)CCCC2	789500067	BZPDCUJLXWFVAS-HKUYNNGSSA-N	301.430	3.414	10	20	DGCD	
C[C@H](NC[C@H]1CCCOC1)c1cccc(C(F)(F)F)c1O	788777026	RVBSYBJTGSJRGF-WDEREUQCSA-N	303.324	3.488	10	20	DGCD	
CC[C@@H](NCc1ccc(C)n(C)c1=O)c1cc(Cl)ccc1O	786933323	BNNRKMCZBNCZRR-OAHLLOKOSA-N	320.820	3.294	10	20	DGCD	
CN(C)c1ccc([C@@H](CNc2ccc(F)cn2)N(C)C)cc1	897523879	YVVGLSNXFHMHKG-MRXNPFEDSA-N	302.397	3.002	10	20	DGCD	
CCCCCC[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	783864420	JMUFASOJZWWAKG-LBPRGKRZSA-N	308.374	3.430	10	20	DGCD	
COc1c(Cl)cccc1NC(=O)c1ccc(C)c(O)c1O	780907850	PEWYXGLTLIQSLJ-UHFFFAOYSA-N	307.733	3.321	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](c2cccs2)N(C)C)c1O	894383284	FCJWBPQFHPFAEY-AWEZNQCLSA-N	320.458	3.163	10	20	DGCD	
COC(=O)c1cc(CNCc2ccc(N(C)C)c(F)c2)cs1	894209741	VICSMYKECVPOOX-UHFFFAOYSA-N	322.405	3.030	10	20	DGCD	
CCc1c(C(=O)NCc2ccccc2O)cnn1C(CC)CC	790794817	SMJOGWRUQPGVAO-UHFFFAOYSA-N	315.417	3.442	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1	1322869253	NHAFAVZMDDRSJM-INIZCTEOSA-N	314.429	3.090	10	20	DGCD	
CO[C@@H]1CCN(Cc2c(O)cccc2Br)[C@@H](C)C1	707145878	JXXXQSSRYVBIEZ-WDEREUQCSA-N	314.223	3.154	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CCC[C@@H](F)C3)cc2)CC1	1333368880	NJFGHPBGTNPFPA-CVEARBPZSA-N	306.425	3.018	10	20	DGCD	
CC(C)(C)C[C@@H](NC(=O)NCc1ccc(N)cc1)C(F)(F)F	1335737190	LVTJMKAVLAEAJL-GFCCVEGCSA-N	317.355	3.435	10	20	DGCD	
CC[C@@H](C(=O)O)N(C)C(=O)c1sccc1-n1c(C)ccc1C	1603498390	BFKUGMOSMGDBLA-LBPRGKRZSA-N	320.414	3.091	10	20	DGCD	
C[C@@H](N[C@H](c1ccncc1)C1CC1)c1cc(C(=O)O)ccc1O	1604325563	OSJGAPULICLYIQ-DIFFPNOSSA-N	312.369	3.287	10	20	DGCD	
CN(C(=O)c1cnc(-c2ccccc2)nc1)c1ccc(N)cc1	1578392494	BUDOJGXZUNLARH-UHFFFAOYSA-N	304.353	3.002	10	20	DGCD	
C[C@@H](NCCC[C@@H]1CCCCO1)c1cc(C(=O)O)ccc1O	1593264427	KIHFAABAYPMXHY-OCCSQVGLSA-N	307.390	3.090	10	20	DGCD	
CC[C@H](C)[C@@H](NCc1ccc2c(c1)CCCN2CC)C(=O)O	1776690159	FIQXVHQRTQIMQQ-SUMWQHHRSA-N	304.434	3.048	10	20	DGCD	
Cc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cn1	161436450	LOPVGFSLBPIXKD-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
C[C@H](NC[C@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1	157617663	OCTJQJSZAAKNMS-UGSOOPFHSA-N	302.393	3.276	10	20	DGCD	
COC(C)(C)CN(C)Cc1cccc(Br)c1O	404324539	QILALZYRVFVGFB-UHFFFAOYSA-N	302.212	3.012	10	20	DGCD	
COCCCCN(C)Cc1cc(Br)cc(F)c1O	715807879	XEWLPIGBGOVEBT-UHFFFAOYSA-N	320.202	3.152	10	20	DGCD	
C[C@H]1C[C@@H](C(=O)O)CN(Cc2cc(Cl)cc(Cl)c2O)C1	399051367	GOZOMAGYACPMGD-WCBMZHEXSA-N	318.200	3.242	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCc1ccc(Cl)s1	47143776	QGLSAGVJFIYWDP-UHFFFAOYSA-N	324.833	3.491	10	20	DGCD	
O[C@H](CNCc1ccc(N2CCCCC2)cc1)c1ccco1	78878750	IZTTWCCCOMTIJM-QGZVFWFLSA-N	300.402	3.093	10	20	DGCD	
Cc1ccc(O)c(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1	128515441	FGIAPEZPZMQTDN-UHFFFAOYSA-N	320.433	3.143	10	20	DGCD	
CCOc1ccc(O)c(CN(C)Cc2ccccc2[N+](=O)[O-])c1	179316420	NTPFMVUCWNEJJH-UHFFFAOYSA-N	316.357	3.331	10	20	DGCD	
CN(Cc1ccc(F)c(F)c1)C(=O)/C=C/c1ccc(O)c(O)c1	180906044	QYZOMOBRSYAFQP-QPJJXVBHSA-N	319.307	3.048	10	20	DGCD	
C[C@H](NCCN1CCc2sccc2C1)c1ccccc1O	183439181	JDOJCDOZXHMCAU-ZDUSSCGKSA-N	302.443	3.163	10	20	DGCD	
Cc1cc(C)n(-c2cccc(NC(=O)Cc3ccc(N)cc3)c2)n1	237705334	RWCUPISVMYRSQL-UHFFFAOYSA-N	320.396	3.253	10	20	DGCD	
CN1CCCN(C(=O)/C=C\c2cccnc2)c2cc(F)ccc21	255901735	OLTOCAVQCSIHPR-YVMONPNESA-N	311.360	3.107	10	20	DGCD	
Cc1ccc([C@@H](C)NCC(=O)N(C)C2CCCCC2)c(O)c1	273623211	ZTFPZLUJNZDSAA-CQSZACIVSA-N	304.434	3.142	10	20	DGCD	
COc1cc(O)c(CN[C@H]2C[C@H](OC(C)C)C2(C)C)cc1OC	274325329	DQZOZBWFXOQXLW-IRXDYDNUSA-N	323.433	3.091	10	20	DGCD	
C[C@@H](NCC1([S@](C)=O)CC1)c1ccc2ccccc2c1O	282315460	NHNANVXMGUJPJN-GTJPDFRWSA-N	303.427	3.107	10	20	DGCD	
CN(C)c1ccc(CNc2nc(O)c3ccccc3n2)cc1F	301079885	DCIYZBCITJQSJG-UHFFFAOYSA-N	312.348	3.153	10	20	DGCD	
Cc1c(CNC(=O)CCOCC(C)C)n(C)c2ccccc12	348669085	UHFJAFLUDFNZTL-UHFFFAOYSA-N	302.418	3.166	10	20	DGCD	
Cc1c(CNC(=O)c2cc(Cl)cn2C)n(C)c2ccccc12	352110200	AYGUDPIUIHGVSW-UHFFFAOYSA-N	315.804	3.409	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)C2CCN(C)CC2)cc1	396445355	DDICVORLIFMLIK-INIZCTEOSA-N	303.494	3.353	10	20	DGCD	
Cc1ccccc1C[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	588405932	HIGRXCFKUSIQEN-QQBNSCQMSA-N	311.381	3.167	10	20	DGCD	
CCOc1ccc(CNCc2cn3cccc(C)c3n2)c(O)c1	736642167	SOOBPARRYZVFRE-UHFFFAOYSA-N	311.385	3.037	10	20	DGCD	
CCOc1ccc(N(C)C[C@H](O)COc2cccc(C)c2)cc1	740423935	WWFQAJPAFWNHIC-KRWDZBQOSA-N	315.413	3.270	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccnc(N(C)C)n2)cc1F	740868820	QPGNDUTXHZVKDQ-UHFFFAOYSA-N	317.412	3.140	10	20	DGCD	
CCN(CC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(OC)cc1	746109775	VLIICXSQRWKNHS-YOEHRIQHSA-N	304.434	3.216	10	20	DGCD	
CCOc1ccc(CNCc2ccccc2N(C)C)c(O)c1	754348225	FBAHXLNSEOKMEH-UHFFFAOYSA-N	300.402	3.147	10	20	DGCD	
CC(C)C[C@@H](CCO)CN[C@H](C)c1cc(F)cc(F)c1O	756624905	HGOFDJFZZMWOQJ-VXGBXAGGSA-N	301.377	3.366	10	20	DGCD	
CC[C@@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)C1CCOCC1	756628515	NKSOGWOSFKRRDD-MLGOLLRUSA-N	321.417	3.035	10	20	DGCD	
C[C@@H]1C[C@H](NCC2(C)CCN(C)CC2)c2c(O)ccc(F)c21	757640488	XEZKOFIBLNMOGC-OCCSQVGLSA-N	306.425	3.401	10	20	DGCD	
CC(C)CC1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768465160	XXBZBZQNKFBGKK-KRWDZBQOSA-N	305.418	3.076	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@]2(C)CCCOC2)cc1	772901989	GVLLTSFHCBADFD-LJQANCHMSA-N	312.413	3.393	10	20	DGCD	
CC(C)c1ncncc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773008275	MWHKCKKKNBPZEN-CYBMUJFWSA-N	312.417	3.157	10	20	DGCD	
C[C@@H](NC(=O)NC1Cc2ccccc2C1)c1ccc(N(C)C)cc1	773447659	RFGVVRWIJSJDKJ-CQSZACIVSA-N	323.440	3.280	10	20	DGCD	
C[C@@H](NCC(=O)NC1CCCCCC1)c1ccc(N(C)C)cc1	775830121	DAHRQWDANSLZJR-OAHLLOKOSA-N	317.477	3.242	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@@H](OCC2CC2)C1	777551174	LOWVKMAJTRPVJX-MRXNPFEDSA-N	312.413	3.331	10	20	DGCD	
CN(Cc1ccccc1O)C1CCN(CCC(F)(F)F)CC1	777824807	GEMCGWQPFHUBHP-UHFFFAOYSA-N	316.367	3.241	10	20	DGCD	
COc1ccc(CNC(=O)c2oc3ccccc3c2C)c(O)c1	794386828	BXFZTMLYJQOKRS-UHFFFAOYSA-N	311.337	3.385	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)NCc1ccccc1C	796325518	JZYBMWLFNKIRGT-UHFFFAOYSA-N	324.424	3.073	10	20	DGCD	
CCCCN(Cc1ccc2c(c1)nnn2C)Cc1ccccc1O	801597012	XNQOUXNFOCYBTJ-UHFFFAOYSA-N	324.428	3.476	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H]1CCCOC1	804288950	JKXSYBNGEULDJO-AWEZNQCLSA-N	318.442	3.407	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)OC[C@H]2CCCO2)C2CC2)cc1	804960248	MSFSAGMDXYEZJR-QGZVFWFLSA-N	318.417	3.033	10	20	DGCD	
CC[C@@H](CN[C@@H](C)c1cc(Br)c(F)cc1O)OC	810260729	NMKOYKWIVSMHFN-IUCAKERBSA-N	320.202	3.369	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1	815566737	DBMPKOBPLIOJMK-HOTGVXAUSA-N	324.424	3.465	10	20	DGCD	
OC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)c2ccccc21	816636676	DVPDYNMOGBIMIZ-NSHDSACASA-N	307.752	3.281	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](C)c2ccnc(O)c2)c1O	816638975	CUHWLIWHKJTTJJ-SECBINFHSA-N	308.765	3.006	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H](c2ccccc2)C2CC2)cc1	817942605	PWBBQWVDUSEMOG-UXHICEINSA-N	309.457	3.493	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@@H](CN)C1)c1cccc(C(F)(F)F)c1O	817981215	HFFVWXZZIIRSRZ-HBNTYKKESA-N	302.340	3.189	10	20	DGCD	
CC(C)c1ccccc1N1C(=O)CN(Cc2ccccc2O)C1=O	818993225	ZAPFJDAXZGGBGB-UHFFFAOYSA-N	324.380	3.484	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)CCC(C)C)C2)cc1	819580668	MVNDEQGOIRFSLZ-OAHLLOKOSA-N	304.434	3.074	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(OC)n1	824165868	FGSOSYLRQQYSRF-UHFFFAOYSA-N	315.373	3.240	10	20	DGCD	
Cc1cc(C)n([C@H](C)CC(=O)N[C@H](C)c2ccccc2O)n1	827930394	JEBWVANKROJQFJ-ZIAGYGMSSA-N	301.390	3.034	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc(O)c(F)c1)c1ccc(N(C)C)cc1	828861886	RGPTYEVCQOGXGN-GFCCVEGCSA-N	316.376	3.017	10	20	DGCD	
CCCc1noc(CN(CC2CC2)c2ccc(OC)cc2)n1	831583462	YMZOTSPDCUUUFC-UHFFFAOYSA-N	301.390	3.447	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccc(C(=O)O)o2)c1	833733811	RIDQRZUBHPJOPE-NXEZZACHSA-N	305.330	3.104	10	20	DGCD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1	836244612	WKILXIIKNZIPTJ-WMZOPIPTSA-N	315.461	3.378	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCc2ccccc2O1)c1ccc(N(C)C)cc1	839727648	AEBIMXZXKMKHFQ-AUUYWEPGSA-N	324.424	3.324	10	20	DGCD	
CC[C@H](NCc1cccc(Br)c1O)[C@H](O)C(C)C	840966467	FYGVANRZJIEZPT-QWHCGFSZSA-N	316.239	3.040	10	20	DGCD	
CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2[C@@H]2CCNC2)cc1	841087458	NWNXDBPYONRKDA-WYTZPYIFSA-N	313.489	3.230	10	20	DGCD	
CCOCc1cc(CNC(C)(C)C[C@@H](C)C(=O)O)ccc1OC	841815795	KUKKLYNGLYZIKE-CYBMUJFWSA-N	323.433	3.211	10	20	DGCD	
COCCOc1ccccc1CN(C)c1ccc(OC)cc1	845999257	VCFJKSQAQYSHCM-UHFFFAOYSA-N	301.386	3.357	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCC(F)(F)C1	846475941	HDCKITAPMYRWKH-SECBINFHSA-N	303.736	3.487	10	20	DGCD	
CC[C@H](NCc1nnn(C(C)(C)C)n1)c1cccc(Cl)c1O	848560785	KILULPOPXOCOSW-LBPRGKRZSA-N	323.828	3.028	10	20	DGCD	
Cc1ccc([C@H](O)CNCc2cc(F)c(N(C)C)cc2F)cc1	858105139	KAYDVRKEDDXEDN-GOSISDBHSA-N	320.383	3.162	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1ccc(Br)cn1)CC2	866568936	ICGGGUDSWREGEK-CYBMUJFWSA-N	319.202	3.327	10	20	DGCD	
Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1ccccc1O)CO2	868410935	QTAHKZZPPXTMAQ-DOMZBBRYSA-N	312.369	3.195	10	20	DGCD	
OC1CCN(c2ccc(CNc3ccc4[nH]ncc4c3)cc2)CC1	876876764	JRYKIPTZFFTNJY-UHFFFAOYSA-N	322.412	3.136	10	20	DGCD	
COc1ccc(NC(=O)CCN[C@H](C)c2ccccc2O)cc1	879648693	ZMVLYLHHLDZVPL-CYBMUJFWSA-N	314.385	3.080	10	20	DGCD	
C[C@H](NC[C@H]1COc2ccccc2C1)c1c(O)cccc1F	886513090	SZKVYMZGBJYEDG-STQMWFEESA-N	301.361	3.433	10	20	DGCD	
CC[C@@H]1c2ccccc2CN1Cc1cc2c(cc1O)OC[C@H]2O	902666451	PYJODNOCLBSDGL-SJLPKXTDSA-N	311.381	3.285	10	20	DGCD	
CCC(=O)N[C@@H]1CCCC[C@@H]1CNCc1ccc(OC)c(C)c1	1037121876	GMWFBDLOODKGRU-IAGOWNOFSA-N	318.461	3.178	10	20	DGCD	
COC(=O)c1cccc(CNCc2ccc3c(c2)CCCN3C)c1	1321560105	WPLZZNDBWFVDHT-UHFFFAOYSA-N	324.424	3.145	10	20	DGCD	
CC(=O)N[C@@H](C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1	1345623640	DTFIRCDWFCHMBA-LBPRGKRZSA-N	324.384	3.341	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1c1nnc(-c2sccc2O)n1CC	1520737653	ANCZPWNABZGGSH-GHMZBOCLSA-N	306.435	3.357	10	20	DGCD	
Cc1cc(O)c(CN[C@H](c2cnn[nH]2)C(C)(C)C)cc1Cl	1577348052	KNLJYUAEVOAQBB-CQSZACIVSA-N	308.813	3.349	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1ccoc1C(=O)O	1596364909	NFVDRUFKDKSLBQ-UHFFFAOYSA-N	302.374	3.066	10	20	DGCD	
C[C@@H](NCc1[nH]cc(C(=O)O)c1C1CC1)c1ccccc1O	1599841644	ZGSLNDIBJXDBCN-SNVBAGLBSA-N	300.358	3.147	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C(=O)O)c2ccc(F)c(C)c2)c1	1600464732	JROMMPNMDRXDBD-MRXNPFEDSA-N	303.333	3.064	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)O)c2C)c1	1600508596	QXBWUUPEHSWJNI-CYBMUJFWSA-N	301.342	3.032	10	20	DGCD	
Cc1nc(COc2ccc(N(C)C)c(C(=O)O)c2)c(C)s1	1600703780	WDCWSVAZDAIZKA-UHFFFAOYSA-N	306.387	3.103	10	20	DGCD	
CCOc1cc(C(=O)O)ccc1NCc1ccc(F)c(F)c1O	1605665134	BATKTDVTKYDZBO-UHFFFAOYSA-N	323.295	3.379	10	20	DGCD	
CCN(Cc1occc1C(=O)O)c1ccc(OC)c(OC)c1	1610002609	FHDJJENKGUEEPS-UHFFFAOYSA-N	305.330	3.022	10	20	DGCD	
CC[C@H](CCC(=O)O)NCc1ccc2c(c1)CCCN2CC	1776710465	NLICAOMLHMTVOZ-MRXNPFEDSA-N	304.434	3.192	10	20	DGCD	
O=C1/C(=C\c2ccccn2)SC(=S)N1Cc1ccccc1	5215131	LUQDLMPMKVOELA-GXDHUFHOSA-N	312.419	3.483	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NC(C3CC3)C3CC3)ccc21	57660829	VSNZCCPOUCEEJF-UHFFFAOYSA-N	313.445	3.057	10	20	DGCD	
CC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65698390	QHDNKFXIMRQOEX-HUUCEWRRSA-N	319.449	3.024	10	20	DGCD	
CC(=O)c1ccccc1C(=O)NCc1ccc2c(c1)CCCN2C	81305664	ICNQGHFURQXLJR-UHFFFAOYSA-N	322.408	3.202	10	20	DGCD	
O=C(CC1=CCCCC1)NCc1ccc(N2CCOCC2)cc1	106750313	PWLYJGDBUXCKMJ-UHFFFAOYSA-N	314.429	3.030	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C[C@H](C)c2ccc(F)cc2)c1	114543016	FLRXKDVOPCIJKH-LBPRGKRZSA-N	317.360	3.350	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)OCCC(C)C	115280977	PDTIZFDTNRTMMA-HNNXBMFYSA-N	306.450	3.128	10	20	DGCD	
CCCN1CCC(N(C)Cc2ccc(N(C)C)c(F)c2)CC1	123820133	YGUKFMMUXZAAFP-UHFFFAOYSA-N	307.457	3.198	10	20	DGCD	
Cc1cccc(C)c1NC(=O)NCCc1ccc(O)c(O)c1	128564900	KWGKAHQQMIAMJA-UHFFFAOYSA-N	300.358	3.079	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC[C@H](N(C)C)C3)c2c1	152323378	BBMDHZDXAQSQLR-HNNXBMFYSA-N	314.429	3.080	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(N(C)C)c(F)c1)N2	153706015	QVKHGVRUZOJTJC-QGZVFWFLSA-N	313.376	3.396	10	20	DGCD	
CC(=O)N1CC[C@H](CN(C)Cc2cc(C(C)C)c(C)cc2O)C1	165119020	ZXQOSRWRJLIZIW-MRXNPFEDSA-N	318.461	3.124	10	20	DGCD	
COC(C)(C)C[C@@H](C)NCc1cc(Br)ccc1O	174555663	PUEFKOSQBWPIFG-SNVBAGLBSA-N	316.239	3.448	10	20	DGCD	
Cc1noc([C@@H]2CCCN(Cc3cccc(Cl)c3O)C2)n1	179755844	HYEIOFBPYDPRKW-GFCCVEGCSA-N	307.781	3.117	10	20	DGCD	
CCOCc1cc(CN[C@@H](CCO)c2ccco2)ccc1OC	184500092	CWGRBTAOONYQEI-INIZCTEOSA-N	319.401	3.038	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccncc1C(F)(F)F	192232470	VBUUCVZEMVPVDX-UHFFFAOYSA-N	310.275	3.078	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CO)c2ccc(F)cc2)cc1	265227247	IJKYADXDNPFWMR-LJQANCHMSA-N	316.420	3.495	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCCCCCN)cc1	269235327	GFTXPHLZEUILGH-UHFFFAOYSA-N	305.466	3.058	10	20	DGCD	
COCC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1	272240537	GWHSDQGEXYNKBE-CQSZACIVSA-N	320.345	3.069	10	20	DGCD	
CCCCN(CC(=O)Nc1nccs1)Cc1ccccc1O	282560603	YHLQYZYBKHWWJI-UHFFFAOYSA-N	319.430	3.090	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2COc3ccccc32)cc1F	288406863	AFTCKKLPVQKTSE-CQSZACIVSA-N	300.377	3.158	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@H](n2cc(Cl)cn2)C1	290901150	MCNCOGAVXYMKPD-NSHDSACASA-N	312.200	3.343	10	20	DGCD	
C[C@H](CCO)CCN[C@@H](C)c1cc(Br)ccc1O	297401199	SMNNYAPLLKLNTC-QWRGUYRKSA-N	316.239	3.214	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OC)c(F)c2)c1	728984998	UWIVFNYFVOWVRO-JTQLQIEISA-N	319.332	3.040	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](C)Cn2cccn2)cc1F	740003883	AHPVQWBGECZDDN-HNNXBMFYSA-N	318.440	3.294	10	20	DGCD	
CCOc1ccc(N(C)Cc2nc(CC(F)(F)F)no2)cc1	743850885	FKUZTXWRMWHMGI-UHFFFAOYSA-N	315.295	3.210	10	20	DGCD	
COc1cc(CN2CCN(C(C)C)CC2)c(O)c(C(C)(C)C)c1	754723525	OGOBNMOTZNBCHI-UHFFFAOYSA-N	320.477	3.224	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)c2ccc3c(c2)OCO3)c1O	756655438	SXUPYQWDNPAWIB-UHFFFAOYSA-N	317.316	3.099	10	20	DGCD	
CC[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N(C)C)cc1	760602662	NZBGZUBAGLVLBQ-LBPRGKRZSA-N	317.355	3.283	10	20	DGCD	
COc1ccc(N(C)Cc2cn(C)nc2C(C)(C)C)cc1OC	761221413	MBECHLBCTOOGIJ-UHFFFAOYSA-N	317.433	3.371	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cn1nc(C)sc1=S	766342644	YLVIECCJJHAIHH-UHFFFAOYSA-N	307.444	3.401	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NOCC(F)(F)F)cc1	766767876	GZMMZLIQZFAOMR-UHFFFAOYSA-N	312.291	3.318	10	20	DGCD	
Oc1cc2c(cc1CN(CC1CCCCC1)C1CC1)[C@@H](O)CO2	768446503	YKIPGWXSZJDMPW-SFHVURJKSA-N	317.429	3.363	10	20	DGCD	
Oc1ccc2c(c1)CCN(Cc1c(O)cccc1Cl)CC2	769191600	CDGXXBOFPWCRKR-UHFFFAOYSA-N	303.789	3.352	10	20	DGCD	
C[C@H](NC(=O)CCC1CCOCC1)c1ccc(N(C)C)cc1	773016375	CIHSQBCOLPAMPN-AWEZNQCLSA-N	304.434	3.137	10	20	DGCD	
CC[C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)C1	775023793	MDIXZIKHQBMSCJ-DGCLKSJQSA-N	308.378	3.367	10	20	DGCD	
Cc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O	775664376	MVVRFGVEGXLTAX-CQSZACIVSA-N	320.433	3.142	10	20	DGCD	
OCCC1(CNCc2cc(Cl)cc(F)c2O)CCCC1	776220462	NTGSNBZJPDNMER-UHFFFAOYSA-N	301.789	3.217	10	20	DGCD	
COc1c(NCc2cc(C)ccc2O)cc(Cl)cc1C(N)=O	790650890	ADBITXNQAGBJPT-UHFFFAOYSA-N	320.776	3.074	10	20	DGCD	
CC(C)C[C@H]1COCCN1Cc1c(O)ccc(Cl)c1F	792167937	UEYCZMXBNYXBPK-NSHDSACASA-N	301.789	3.432	10	20	DGCD	
CC[C@H](C)CC[C@H](O)CC(=O)NCc1ccc(N(C)C)cc1C	793517956	YLBUCLWAVRSDPW-KSSFIOAISA-N	320.477	3.255	10	20	DGCD	
CC[C@H](NC[C@]1(O)CCc2ccccc21)c1ccc(F)cc1O	796841348	SDYRSYRVOVXJRB-PKOBYXMFSA-N	315.388	3.406	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc3c(c2)CCC=C3)c1O	802782789	SOJNJSWAPAJCAL-UHFFFAOYSA-N	309.365	3.290	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ncccc2N(C)C)c2c(O)ccc(F)c21	810248898	IIBLLMRYDCJUGO-YPMHNXCESA-N	315.392	3.330	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2c(Cl)cncc2Cl)cc1	814255138	XTHWIXYPTTYKJV-UHFFFAOYSA-N	324.211	3.384	10	20	DGCD	
Cc1cc([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)cs1	817940002	DSRDFWRRSXIWIV-SUMWQHHRSA-N	303.475	3.473	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@@H](N)C1)c1cccc(C(F)(F)F)c1O	817970389	UKPWNVZTZZOBQW-AXFHLTTASA-N	302.340	3.332	10	20	DGCD	
CCCOc1ccccc1NC[C@@H](O)COc1ccccc1	819397659	GUGMQWBHQQMINP-OAHLLOKOSA-N	301.386	3.327	10	20	DGCD	
CCN(Cc1cc(Cl)c(C)cc1O)C[C@@H](O)C(F)(F)F	825561708	GIKYTVNMMLTFJA-GFCCVEGCSA-N	311.731	3.099	10	20	DGCD	
O=C(NCC[C@H]1CCc2ccccc21)NCc1ccccc1O	836528956	TUJOPQITVGLIAW-OAHLLOKOSA-N	310.397	3.312	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)o1	839912216	CMNRYDMMEKQRBF-CYBMUJFWSA-N	300.402	3.323	10	20	DGCD	
CCn1ncc(C(=O)CSc2ncc(C(C)(C)C)s2)n1	841671781	YGUAAODHGVZZNN-UHFFFAOYSA-N	310.448	3.027	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1O	841763019	TUQFCZOXWIRHNU-GXFFZTMASA-N	318.795	3.426	10	20	DGCD	
C[C@@H](COCC(=O)N(C)Cc1ccccc1O)c1ccccc1	845792440	WCHKIHQCMKRJTO-HNNXBMFYSA-N	313.397	3.171	10	20	DGCD	
COC[C@H](C)Oc1ccc(CNCc2ccccc2O)cc1	850113793	VWBMTQZPGSGMQR-AWEZNQCLSA-N	301.386	3.096	10	20	DGCD	
Oc1ccccc1CNC[C@H](OC1CCCC1)C(F)(F)F	850355882	MGKKNLZTBRKAGF-AWEZNQCLSA-N	303.324	3.372	10	20	DGCD	
CC[C@H](NCc1c(O)cccc1Br)[C@@H](O)C(C)C	858177851	HIVRWMSGMYKUOY-JSGCOSHPSA-N	316.239	3.040	10	20	DGCD	
CCCOC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	858910808	ZIZDYRGFAPRWHT-CHWSQXEVSA-N	324.396	3.076	10	20	DGCD	
C[C@@H](NC(=O)N1CCC[C@@H](CF)C1)c1ccc(N(C)C)cc1	883582034	LFRFGZRPPAWBCW-KGLIPLIRSA-N	307.413	3.205	10	20	DGCD	
CN1CCCc2cc(CNCc3ccc(Cl)cn3)ccc21	885954041	LRYDSDMIALMMAF-UHFFFAOYSA-N	301.821	3.407	10	20	DGCD	
Cc1cccc([C@H](O)CNCc2ccc(N3CC=CC3)cc2)c1	905139823	YFSARSMPQSFMTI-HXUWFJFHSA-N	308.425	3.194	10	20	DGCD	
CCO[C@@H](C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	915280023	XMSIADHXHHVXOW-INIZCTEOSA-N	314.429	3.178	10	20	DGCD	
COc1ccc(CN[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cc1C	920182837	ZOCPVMZPGRCLAU-HLLBOEOZSA-N	304.478	3.460	10	20	DGCD	
CC(C)n1cc(C(C)(C)NCc2ccc3c(c2)CCCO3)nn1	922195642	UATZWDAAJGHEPA-UHFFFAOYSA-N	314.433	3.209	10	20	DGCD	
COc1ccc(CNC[C@H]2CC[C@H](CNC(C)=O)CC2)cc1C	1048594395	XKEHKEHOGNEYFC-QAQDUYKDSA-N	318.461	3.036	10	20	DGCD	
CC[C@@H](NC[C@H](C)CNC)c1ccc(C(F)(F)F)cc1O	1326474175	TYYIPEGPXJPJNE-ZWNOBZJWSA-N	304.356	3.307	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1	1327999728	HNDROYLGIVZYSM-KSZLIROESA-N	302.462	3.436	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CC[C@H](CN)C3)cc2)CC1	1576735250	YIZJFTOBKLYJJM-ROUUACIJSA-N	301.478	3.140	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC(n3ccnc3)CC2)c1O	184684672	KNWIELKRPQLLDD-UHFFFAOYSA-N	321.808	3.088	10	20	DGCD	
C[C@@H]1CCC[C@]1(O)CNCc1cc(Cl)cc(Cl)c1O	328185133	OITMHFVOAZCODW-OTYXRUKQSA-N	304.217	3.340	10	20	DGCD	
CN(Cc1c[nH]nc1-c1ccccc1)c1ccc2c(c1)OCO2	180760025	VNYOGUQYLVOCEI-UHFFFAOYSA-N	307.353	3.442	10	20	DGCD	
C[C@H](O)CCN(C)Cc1ccc(OCc2ccccc2)cc1O	183082093	NQFZEFCBSZBIIP-HNNXBMFYSA-N	315.413	3.174	10	20	DGCD	
Cc1cc(C)cc(NC(=O)NCCc2ccc(O)c(O)c2)c1	128504693	MRPFDIKMIKZHHV-UHFFFAOYSA-N	300.358	3.079	10	20	DGCD	
COc1ccccc1/C(C)=C\C(=O)N(C)Cc1ccccc1O	255309427	JZSALVPHSFNKJW-OWBHPGMISA-N	311.381	3.463	10	20	DGCD	
CNC(=O)C[C@@H](C)NCc1ccc(N(C)C2CCCCC2)cc1	269019137	PEMSFBVSUFXBRD-OAHLLOKOSA-N	317.477	3.070	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1	273343753	AFIGOOHEDGDIKT-QWRGUYRKSA-N	304.394	3.054	10	20	DGCD	
CC1(C(=O)NCc2cccc(Br)c2O)CCCC1	277635733	XNXAVVLJFNBULJ-UHFFFAOYSA-N	312.207	3.351	10	20	DGCD	
COc1cccc(CN[C@@H](C)[C@H](OC)c2ccccc2F)c1O	271922363	CGDVXMNWKOMSON-SGTLLEGYSA-N	319.376	3.406	10	20	DGCD	
C[C@H](NCC[C@H]1CCO[C@H](C)C1)c1cc([N+](=O)[O-])ccc1O	273388107	DELXEWBNAAUWLU-AGIUHOORSA-N	308.378	3.156	10	20	DGCD	
COC[C@@H]1CCCCN(Cc2cc(Cl)cc(OC)c2O)C1	375096241	DKJGWQIOAHIKLD-GFCCVEGCSA-N	313.825	3.303	10	20	DGCD	
CCCC[C@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	282227230	ZEBHDQGJKDBMPP-INIZCTEOSA-N	318.461	3.308	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(C2CC2)[nH]n1	282464819	KCGCPFFLAMLJOV-UHFFFAOYSA-N	313.401	3.435	10	20	DGCD	
CO[C@@H](C)c1nc(CN[C@@H]2CCc3cccc(O)c32)cs1	297946433	YJSFVOGHRQBIBQ-GXFFZTMASA-N	304.415	3.333	10	20	DGCD	
COc1cccc(CNC/C=C/c2ccc(F)c(F)c2)c1O	809741350	NHXUGDJWPQTZKE-ONEGZZNKSA-N	305.324	3.482	10	20	DGCD	
CSC[C@@H](C)NC(=O)NCc1c(C)c2ccccc2n1C	471891778	BTDIIOFTPWMPIE-LLVKDONJSA-N	305.447	3.037	10	20	DGCD	
CC(=O)c1cc(NC(=O)N(C)Cc2ccccc2O)ccc1F	806574302	KRINKLWWSGVOCE-UHFFFAOYSA-N	316.332	3.398	10	20	DGCD	
CCc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C)cc1	809875204	JBHZCPMJAAAGNR-UHFFFAOYSA-N	322.412	3.387	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cn(C(C)(C)C)nn1	811508445	QKLFFBNFHOQIJZ-UHFFFAOYSA-N	314.433	3.385	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCCC[C@H]2N)c(C(F)(F)F)c1	818431019	DARYMOAIGAENPB-HUUCEWRRSA-N	315.383	3.131	10	20	DGCD	
CCCN1C[C@H](CN[C@@H](C)c2ccc(N(C)CC)cc2)CC1=O	817588455	FTCFHXWGJRISDB-HOTGVXAUSA-N	317.477	3.052	10	20	DGCD	
CC(C)(C)c1cnc(Sc2ccc(-c3nn[nH]n3)cn2)s1	819966081	VVWKALUHCPJIPA-UHFFFAOYSA-N	318.431	3.167	10	20	DGCD	
CCOc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1	728984377	PAAZUVZDAFXXLU-GFCCVEGCSA-N	315.369	3.291	10	20	DGCD	
C[C@@H](NC(=O)c1cccc([C@@H]2CCOC2)c1)c1ccccc1O	827941915	ZYDLWJFVWPDZLT-CZUORRHYSA-N	311.381	3.387	10	20	DGCD	
Cc1cc(O)c(CNCC[C@]2(O)C[C@H]3CC[C@H]2C3)cc1Cl	825959499	OELSDTCFGFVZLK-JDFRZJQESA-N	309.837	3.385	10	20	DGCD	
Cc1cncc(/C=C\C(=O)N(C)c2cnc3ccccc3n2)c1	493359760	XAADTIDELKZKHI-FPLPWBNLSA-N	304.353	3.009	10	20	DGCD	
COc1cc(CN2CCC[C@@H]([C@@H](C)O)C2)c(O)c(C(C)(C)C)c1	825451666	XGIRRIBGBIMQRU-ZIAGYGMSSA-N	321.461	3.291	10	20	DGCD	
CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(O)cs1	731866584	WWBUTCDPCIXHRH-UHFFFAOYSA-N	316.426	3.326	10	20	DGCD	
CCC1(CN[C@@H](C)c2cc(Br)ccc2O)COC1	834898475	DPCIGFQGYVAOGE-JTQLQIEISA-N	314.223	3.232	10	20	DGCD	
Cc1csc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	831140355	JNUTUDIYBMCKSK-LBPRGKRZSA-N	324.471	3.162	10	20	DGCD	
CCC(CC)N(CC(=O)NCc1ccc(N(C)C)cc1)C1CC1	839481491	ZHHHNMNEFHMESZ-UHFFFAOYSA-N	317.477	3.022	10	20	DGCD	
CN(C)[C@@H](CN[C@@H]1CCc2cccc(O)c21)Cc1ccccc1	834487368	BZKVDKZCWQZLLX-QZTJIDSGSA-N	310.441	3.142	10	20	DGCD	
CC(=O)N1CC[C@@H](N[C@H]2CCc3cccc(O)c32)c2ccccc21	834692673	GVEYPYHUVFAAHH-SJORKVTESA-N	322.408	3.467	10	20	DGCD	
CCN(C(=O)CN[C@H](C)c1ccc(C)cc1O)c1ccccc1	903197667	SIRJIJMVEQYNOX-OAHLLOKOSA-N	312.413	3.404	10	20	DGCD	
Cc1ccc(N2CC[C@@H](N[C@H]3CCc4cccc(O)c43)C2=O)cc1	834668240	IXTNSKFOMBTWNA-DLBZAZTESA-N	322.408	3.083	10	20	DGCD	
COCCCCCOC(=O)c1sc2nc(C)cc(C)c2c1N	735129846	RJNQIQJQNDIOSL-UHFFFAOYSA-N	322.430	3.469	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H]1COC3(CCCCCC3)O1)CC2	834737880	ZPYHLADURJOTOA-HZPDHXFCSA-N	317.429	3.435	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NCC(C)C)cc1	741678292	NEFMMDPIADKAFP-MRXNPFEDSA-N	319.493	3.125	10	20	DGCD	
CCO[C@@H]1C[C@@H](N[C@H](C)c2cccc(OC)c2O)C12CCC2	846144514	HJCTZLPABQCNCA-DAXOMENPSA-N	305.418	3.399	10	20	DGCD	
C[C@H](NCc1ccc(CN)cc1F)c1cc(Cl)ccc1O	844922715	CYEQLHLTXMZUMQ-JTQLQIEISA-N	308.784	3.494	10	20	DGCD	
COC(=O)[C@H](CC1CC1)NCc1cc(Cl)cc(Cl)c1O	840957653	LTXZGJUDRLQFDY-LBPRGKRZSA-N	318.200	3.130	10	20	DGCD	
CCCc1ncc(-c2nc(Cc3ccc(N)cc3)no2)s1	843158287	AVQDDORRWWUCDH-UHFFFAOYSA-N	300.387	3.319	10	20	DGCD	
COc1cccc([C@@H](C)NCCCN2CCCC[C@H]2C)c1O	846138985	ZGYYTEDKRLFDEV-HUUCEWRRSA-N	306.450	3.316	10	20	DGCD	
CCc1cccc(CN2CCCC[C@H]2c2noc(C)n2)c1O	848884102	XGEYMXRNAFUCLG-HNNXBMFYSA-N	301.390	3.373	10	20	DGCD	
Nc1ccc(NCc2ccc(OCCN3CCCC3)cc2)cc1	841039763	AUEUAFNOISBUCH-UHFFFAOYSA-N	311.429	3.356	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ncc([N+](=O)[O-])cc1F	840264049	NKYOBIGLGYTAMD-UHFFFAOYSA-N	304.325	3.115	10	20	DGCD	
CC(=O)[C@H](C)CCOC(=O)c1cc(C)n(-c2ccccn2)c1C	849680167	OFHRFFGTZFAZCJ-GFCCVEGCSA-N	314.385	3.261	10	20	DGCD	
CCCCN(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840489073	QUXRJDXKVHKOHS-OAHLLOKOSA-N	305.466	3.434	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](CO)CC2CCCCC2)c1O	846171158	DUPIAPXUEUZNBC-HIFRSBDPSA-N	307.434	3.383	10	20	DGCD	
CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1cccc(Cl)c1O	840827300	FCSLKADGVTWJMX-CYBMUJFWSA-N	310.825	3.301	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(C)(C)C)on2)c1	743335121	MWTSQPXNQOVOAG-JTQLQIEISA-N	318.373	3.177	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1ccnn1C	840893816	MGZIYRRWWVCJOB-GJZGRUSLSA-N	300.450	3.076	10	20	DGCD	
C[C@H](N[C@H]1CCN(CC(F)F)C1)c1ccc(Cl)cc1O	841763101	URXBLBIFPOZPKF-ONGXEEELSA-N	304.768	3.036	10	20	DGCD	
COCc1ccc(CN(C)CCN(C)c2ccc(OC)cc2)o1	846053534	ZGBPASOXUVIIEU-UHFFFAOYSA-N	318.417	3.003	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ccc(-n2ccnc2)nc1	750036687	MSUIZDFYSAVMDB-UHFFFAOYSA-N	320.396	3.229	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(C=O)cc1	858826759	OLDYABMVADKUGA-UHFFFAOYSA-N	324.424	3.156	10	20	DGCD	
C[C@H](NCCN1CC[C@@H](C)C1)c1cc2c(cc1O)CCCC2	756626255	BJUOXVZWHIXJBL-CABCVRRESA-N	302.462	3.263	10	20	DGCD	
O=C1N[C@@H]2CCCC[C@H]2C[C@H]1Sc1ncc(Cl)s1	850002129	UIRLCKUTYRVUBP-DJLDLDEBSA-N	302.852	3.336	10	20	DGCD	
COC[C@@H]1CCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1	752743027	IHBXOZHTRMYAPD-SFHVURJKSA-N	312.413	3.345	10	20	DGCD	
CC[C@@H](N[C@H]1C[C@H](CO)C1)c1ccc(C(F)(F)F)cc1O	927147008	IDMGZYPYQBRDCG-IRUJWGPZSA-N	303.324	3.223	10	20	DGCD	
C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)c1cc(O)cs1	854475949	YMZQAUXKFOXZAJ-STQMWFEESA-N	319.426	3.080	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1O	756797308	YLUNFJPRLKJPEQ-SECBINFHSA-N	302.286	3.202	10	20	DGCD	
CN(C)c1ccc(/C=C\CN2CCC(CCC(=O)O)CC2)cc1	854240966	GEWPGVGISCSLNM-ARJAWSKDSA-N	316.445	3.343	10	20	DGCD	
COc1ccc(CN[C@H]2CC[C@H](NC(=O)C(C)C)CC2)cc1C	1034596589	ZQWCBUURGPUQBB-QAQDUYKDSA-N	318.461	3.177	10	20	DGCD	
CCO[C@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)C1CC1	1118877226	CNOPXVORVADQJV-KRWDZBQOSA-N	322.424	3.103	10	20	DGCD	
Cc1cc(O)c([C@@H]2NC(=O)c3ccccc3N2C)cc1Cl	877842529	ICMDFGALOVNOQJ-OAHLLOKOSA-N	302.761	3.232	10	20	DGCD	
COCc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)cc1	774483620	GVBCMVPWKPVXQC-GFCCVEGCSA-N	315.369	3.498	10	20	DGCD	
Cc1noc([C@H]2CCCN2Cc2cc3c(cc2O)CCCC3)n1	795750997	AYKJTPLHRQZFAJ-MRXNPFEDSA-N	313.401	3.300	10	20	DGCD	
OC[C@@H](NCc1c(O)ccc(Cl)c1F)c1cccc(F)c1	790966351	MAYXATSVLADYLR-CYBMUJFWSA-N	313.731	3.147	10	20	DGCD	
CC[C@]1(NCc2cc(Br)cc(C)c2O)CCOC1	792193342	SYMRGLKVQZIXBK-AWEZNQCLSA-N	314.223	3.122	10	20	DGCD	
CCCN1C[C@H](CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)CC1=O	1325489289	KBCQTKRJTXRLIC-KKUMJFAQSA-N	316.445	3.097	10	20	DGCD	
CC(C)CN(CCN(C)C)Cc1ccc(N2CCCC2)cc1	1323727931	HPFHWZOWHWKXLB-UHFFFAOYSA-N	303.494	3.306	10	20	DGCD	
CC[C@H](C[C@H](C)CO)NCc1c(O)cccc1Br	1329139436	DYIKRMDAYWPEFZ-WDEREUQCSA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2c(Br)cnn2C)c1	693431366	MVHXDPQKQYCHOA-JTQLQIEISA-N	324.222	3.047	10	20	DGCD	
CC[C@H](C)n1nccc1C(=O)N[C@H](C)c1cc(OC)ccc1O	1346695965	OSZZJZJSKPYJQJ-NWDGAFQWSA-N	317.389	3.059	10	20	DGCD	
C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1cc(C(=O)O)ccc1O	1609779423	ZJQMFOKGBKAPGO-MADCSZMMSA-N	303.280	3.082	10	20	DGCD	
CC[C@@H](NCc1cccc(C)c1)c1cccc(-c2nn[nH]n2)c1O	1590469787	QXMXBTDYZSKLKY-MRXNPFEDSA-N	323.400	3.122	10	20	DGCD	
CCc1ccc(OCC(=O)NCc2ccc(N(C)C)cc2)cc1	15134609	IVHWUTQCPOZCMV-UHFFFAOYSA-N	312.413	3.010	10	20	DGCD	
NC(=O)c1ccc(NCc2c(O)cccc2Cl)cc1Cl	127293114	KZVFSNAOECTJAQ-UHFFFAOYSA-N	311.168	3.410	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc(CN2CCCC2)c1	66046894	UDLQDDPOONLEIZ-UHFFFAOYSA-N	324.424	3.260	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CSc2ccc(C)cc2)c1	78726248	GZYNDMPNHYYKIS-UHFFFAOYSA-N	317.410	3.118	10	20	DGCD	
COCCOCCCCNCc1cc(Cl)cc(Cl)c1O	101596645	IHPACVDLYJXZII-UHFFFAOYSA-N	322.232	3.232	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3cccn3C)cc2)CC1	108295254	GEVOIPPRBVSRRU-UHFFFAOYSA-N	311.429	3.191	10	20	DGCD	
CC(C)n1ncc2cc(CN(C)c3ccc4c(c3)OCO4)cnc21	121270466	JBZURQHDWFMRHC-UHFFFAOYSA-N	324.384	3.377	10	20	DGCD	
CN(C)c1ccc(CN2CCCC[C@H]2c2ncc[nH]2)cc1F	125274701	UVRYPFZWZFETTR-INIZCTEOSA-N	302.397	3.342	10	20	DGCD	
CCO[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1	155433491	OKASFALFLDTFSV-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(CCOC)CC2)cc1F	161862259	AFSHMBOBFOPEKZ-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(-c3ccccc3)[nH]2)c1	172043989	GOIVCHQJYZOQKM-UHFFFAOYSA-N	322.364	3.326	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2cc(F)ccc2F)c1	176007498	LRGVOVRKXOBJKE-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
CSc1cccc(N(C)C(=O)c2ccc(C)c(O)c2O)c1	182291981	DLGAFURWUUPXNL-UHFFFAOYSA-N	303.383	3.405	10	20	DGCD	
C[C@@H](NCCCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	185194535	MDGWJCMMZZYTDQ-SECBINFHSA-N	319.232	3.218	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2COC3(CCCCC3)O2)c1	186230502	XEXBUMUVUQKTHV-DZGCQCFKSA-N	321.417	3.127	10	20	DGCD	
COCCO[C@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)C1	188928943	VNFAHLLFVGPZFP-INIZCTEOSA-N	307.434	3.061	10	20	DGCD	
COc1ccc(N2CCC(NCc3ccc(C#N)cc3)CC2)cc1	237261000	UGBUCVLLXKMPCE-UHFFFAOYSA-N	321.424	3.325	10	20	DGCD	
Nc1ccc(CC(=O)NCCc2cccc3ccccc23)cc1	237901333	BECLBFKYIJOFLN-UHFFFAOYSA-N	304.393	3.323	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1	289641125	SMSMROOPPZMUEQ-ZWKOTPCHSA-N	300.446	3.286	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CSC2CC2)C2CC2)cc1	294306045	JCIIWYGFJAKNKQ-UHFFFAOYSA-N	304.459	3.139	10	20	DGCD	
CCCc1nccn1Cc1ccc(N2CCC(OC)CC2)cc1	296160802	YQMZEVUADKHPBM-UHFFFAOYSA-N	313.445	3.499	10	20	DGCD	
CC(C)(CCNCc1ccc(N2CCOCC2)cc1)C1CC1	328562700	IHSGZPPAKAPUIZ-UHFFFAOYSA-N	302.462	3.439	10	20	DGCD	
CCOCCCNCc1cc(Cl)cc(Br)c1O	708098981	NWGZLRCEDHSICR-UHFFFAOYSA-N	322.630	3.324	10	20	DGCD	
CC(C)(O)CCNCc1cc(Cl)cc(Br)c1O	708100787	VTRQCEGCLSJKTB-UHFFFAOYSA-N	322.630	3.059	10	20	DGCD	
COc1cc(C)c(CN(C)C(=O)c2cc(O)cs2)cc1OC	732258039	KDLFIVNAOYSOAB-UHFFFAOYSA-N	321.398	3.052	10	20	DGCD	
COc1cc(C)cc(CN2CC[C@@H](CN3CCCCC3)C2)c1O	754740021	FZQMJVXLIBYFGI-INIZCTEOSA-N	318.461	3.017	10	20	DGCD	
COCCOCCCCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	756516181	IDFMMVCXTKQPAU-TZMCWYRMSA-N	311.397	3.112	10	20	DGCD	
CC[C@@H]1CCCCN1CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756575332	PDTRORZJYHPYGG-ZIAGYGMSSA-N	321.421	3.216	10	20	DGCD	
CCc1cnc(CN(C)c2ccc(OCCN(C)C)cc2)s1	761219834	COUZHBKCQIKPDE-UHFFFAOYSA-N	319.474	3.282	10	20	DGCD	
COc1cccc(O)c1CNC[C@](C)(O)c1ccccc1Cl	764984842	ZIVPCQCYNNTCQE-KRWDZBQOSA-N	321.804	3.052	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H](F)c2ccccc2)cc1F	768988199	PEEPKIFTBNFFJT-INIZCTEOSA-N	304.340	3.219	10	20	DGCD	
COc1ccccc1C[C@@H](C)N(C)Cc1c(O)cccc1OC	769326911	QTNFMZMHVPFYKC-CQSZACIVSA-N	315.413	3.472	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1C[C@@H](C)Oc2ccccc21	776839130	OVWVLZOCZJWBDO-WSKFYRRCSA-N	300.383	3.279	10	20	DGCD	
O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1cc(O)cs1	777532644	HKIULHAZRZKCME-GFCCVEGCSA-N	307.346	3.237	10	20	DGCD	
CCOc1ccc(CNCC[C@@](C)(O)c2ccccc2)c(O)c1	778212931	HATRDQCUIHDHAX-LJQANCHMSA-N	315.413	3.178	10	20	DGCD	
Cc1nc2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc2o1	791477248	DTVVPXRBICRSGQ-UHFFFAOYSA-N	309.369	3.132	10	20	DGCD	
CCN(CC)c1ccc(CN(C2CCC2)[C@H](C)C(=O)OC)cc1	792188968	ZCBPFCHPFGZIDA-OAHLLOKOSA-N	318.461	3.449	10	20	DGCD	
CSc1ccc([C@H](C)NC(=O)c2cccc(O)c2O)cc1	799038179	KEWMWZWYUDSYMD-JTQLQIEISA-N	303.383	3.311	10	20	DGCD	
CSCC(C)(C)C(=O)NCCCSc1nccs1	800490574	HXZPJJOYSUKINY-UHFFFAOYSA-N	304.506	3.131	10	20	DGCD	
CN(Cc1cc(Cl)cc(Cl)c1O)C[C@H](O)C(F)(F)F	809751598	SXPXACXHEDYDIC-VIFPVBQESA-N	318.122	3.054	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H]2CCN(C)C[C@H]2C)cc1F	809766500	ZHYCBLLMVJZXTL-CRAIPNDOSA-N	321.484	3.444	10	20	DGCD	
CCOc1ccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c(O)c1	811510346	CWLZGXJRXRSPDZ-IAGOWNOFSA-N	305.418	3.180	10	20	DGCD	
CC[C@@]1(CNC(=O)c2cc(O)cs2)OCCc2ccccc21	811588669	AVWVOEBACTZZBU-KRWDZBQOSA-N	317.410	3.062	10	20	DGCD	
CCOC(=O)[C@H](CC1CC1)NCc1cc(Cl)c(F)cc1O	816567271	VWMWZXZPJOZXNV-ZDUSSCGKSA-N	315.772	3.006	10	20	DGCD	
CC(C)(C)n1ncnc1CNCc1ccc2ccccc2c1O	816600055	JECOKVPUIYNTBQ-UHFFFAOYSA-N	310.401	3.182	10	20	DGCD	
CCOc1ccc(O)c(CN(C)Cc2ccc(C(=O)O)cc2)c1	833663244	SUTZCHNNHFDKDU-UHFFFAOYSA-N	315.369	3.121	10	20	DGCD	
Cn1nc(CCN[C@@H]2CCc3cccc(O)c32)c2ccccc21	834770025	RTRIAZUJUFOJQU-MRXNPFEDSA-N	307.397	3.099	10	20	DGCD	
Cc1c(Cl)cncc1NC(=O)NCc1ccc(N(C)C)cc1	836706191	LFIYGKLFSQEREK-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@](C)(O)c1ccc(F)cc1	840935742	CBMYODPSZUAXFO-LJQANCHMSA-N	316.420	3.197	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H]([C@H]3CCCNC3)C2)c1	843128301	VTJBZUUKOKGGME-HOTGVXAUSA-N	318.461	3.003	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2ccsc2C)cc1	844857053	OWQYLVOGKRATCV-UHFFFAOYSA-N	318.442	3.274	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1O	846155741	CIDGVCYMGYGHQO-WDEREUQCSA-N	304.394	3.054	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCCc2ccc(F)cc2)c1	847591355	UBJOLGHOKVVBKM-UHFFFAOYSA-N	317.360	3.179	10	20	DGCD	
CN1C(=O)/C(=C/c2cccc(OC3CC3)c2F)SC1=S	849174405	QVZXXQVNTOPORV-XFFZJAGNSA-N	309.387	3.198	10	20	DGCD	
COc1cc(CNC[C@@H]2CC[C@@H](C)O2)c(O)c(C(C)(C)C)c1	850320493	JXGVGKJBBPHLMJ-OCCSQVGLSA-N	307.434	3.355	10	20	DGCD	
OC[C@@H](CNCc1ccc(N2CCCCC2)cc1)CC1CC1	850386280	HYQHOCLGRJXBIF-GOSISDBHSA-N	302.462	3.175	10	20	DGCD	
COc1cccc(O)c1CNCc1cccc2c1OC(F)(F)O2	850413481	RNCVSXKYCLSZLZ-UHFFFAOYSA-N	323.295	3.012	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])c1	851900545	VFZBMBZJVHJJBF-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
Cc1nccnc1CN1CCCc2cc(OC(F)F)ccc21	857039023	KSYYCTBDWPZZHZ-UHFFFAOYSA-N	305.328	3.339	10	20	DGCD	
C[C@H](C[C@@H]1CCOC1)NCc1c(O)cccc1Br	858149941	ANBKRIAACNMWIS-MNOVXSKESA-N	314.223	3.059	10	20	DGCD	
CC[C@H](C)C[C@H](CO)NCc1c(O)cccc1Br	858182575	ZCQLCTUCPLVORS-WDEREUQCSA-N	316.239	3.041	10	20	DGCD	
CC[C@@H](NC[C@H]1CCCN1CC(F)F)c1ccc(C)cc1O	858479361	PQYWSQBNPANRNB-UKRRQHHQSA-N	312.404	3.471	10	20	DGCD	
COc1ccc(N(C)Cc2cccc3c2CCOC3)c(OC)c1	864020388	WRWRUHXWFFDROQ-UHFFFAOYSA-N	313.397	3.413	10	20	DGCD	
CC[C@@H](C)c1nc([C@@H](C)NCc2cc(F)cc(F)c2O)n[nH]1	883102170	IJCDXUHPEAMFDH-RKDXNWHRSA-N	310.348	3.153	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1cnnn1-c1ccccc1	924575174	RZUVXARGKJGMOA-OAHLLOKOSA-N	321.428	3.184	10	20	DGCD	
CC[C@@H](NCC1CC2(C1)OCCO2)c1cccc(Cl)c1O	927002399	VFHDLRQJCGGZLV-CQSZACIVSA-N	311.809	3.239	10	20	DGCD	
Cc1ccc(O)c(CNS(=O)(=O)CC2(C)CCCCC2)c1	1331573950	JDUWIDLFIDPTJR-UHFFFAOYSA-N	311.447	3.090	10	20	DGCD	
C[C@@H]1CCCCN1C[C@H]1CCCN(Cc2ccc(N)cc2)C1	1334753948	KBWPDRMYWWFJJA-AEFFLSMTSA-N	301.478	3.355	10	20	DGCD	
CCCCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CC1	1341537646	HRQTWDRZVHCTCJ-UHFFFAOYSA-N	319.468	3.342	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C	1342569380	MEELZKOCGUVNCA-AXFHLTTASA-N	306.435	3.213	10	20	DGCD	
C[C@H]1CCN(c2nnc(-c3sccc3O)n2CC2CC2)[C@H]1C	1518345891	RVOBBGOLVHHGDJ-QWRGUYRKSA-N	318.446	3.357	10	20	DGCD	
Cc1cc(CN(C)C2CCNCC2)ccc1N1CCCCC1	1579593126	VTQNFDNOAILFFH-UHFFFAOYSA-N	301.478	3.169	10	20	DGCD	
C[C@](NCc1ccc(N2CCCC2)cc1)(C(=O)O)c1ccccc1	1593299761	VKWUHYVQJDOWOX-HXUWFJFHSA-N	324.424	3.376	10	20	DGCD	
Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)oc1C(=O)O	1600203886	YIVRBSXPGWTHKM-GFCCVEGCSA-N	302.374	3.203	10	20	DGCD	
Cc1cccc(CN(Cc2ccccc2)C[C@H](C)C(=O)O)c1O	1600532565	MLXNSRIHAXNZJO-HNNXBMFYSA-N	313.397	3.424	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1cc(C(=O)O)ccc1O)c1nccs1	1604186070	VVUCWVQTGNUWKT-UWVGGRQHSA-N	306.387	3.001	10	20	DGCD	
Cc1cc([C@H](NCc2cccc(Cl)c2O)C(=O)O)ccc1F	1610449549	CKUYPEGTDOLCRK-AWEZNQCLSA-N	323.751	3.409	10	20	DGCD	
O=C(O)c1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)cc1	1610824467	YHYLWXZJQAUDQN-WQLSENKSSA-N	319.407	3.139	10	20	DGCD	
COc1ccc(CN[C@@H](C)CNC(=O)C(C)=C2CCC2)cc1C	1752870435	WEPQXPVJVNMESS-AWEZNQCLSA-N	316.445	3.098	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C(C)(C)Oc1ccc(F)cc1	53914808	LHZKSOLCUNFQAU-UHFFFAOYSA-N	317.360	3.347	10	20	DGCD	
C[C@H](C1CC1)N(C(=O)NCc1ccc(N(C)C)cc1)C1CC1	77412747	LMHWLSQNXODBAG-CYBMUJFWSA-N	301.434	3.225	10	20	DGCD	
Cc1ccc(C(=O)N(C)C)cc1NCc1ccc(N(C)C)cc1	121892917	MATXQEBBNXEYDY-UHFFFAOYSA-N	311.429	3.375	10	20	DGCD	
CCC(CC)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	133943349	ATFBOLFMSCKBOR-UHFFFAOYSA-N	322.424	3.309	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCCN2CCC[C@@H]2C1	134194925	IXNNXTVDEDUUDP-CYBMUJFWSA-N	315.244	3.369	10	20	DGCD	
CCc1ccc(C(C)(C)CNC(=O)Cc2ccc(N)cc2)cc1	160867195	NFKVTMOSSUHSRA-UHFFFAOYSA-N	310.441	3.468	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2cc(F)ccc2F)cc1F	172914495	FPIUOSDPWINXOK-UHFFFAOYSA-N	322.330	3.029	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(Cl)c1	173203138	VVKZBFYJNGRIHY-UHFFFAOYSA-N	316.788	3.445	10	20	DGCD	
COc1ccc(CCN[C@H](C)c2cc(F)ccc2O)cc1OC	176980293	NBDPMYIIWRVZSX-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1cc(F)ccc1O	176982916	NRIWZRLSKLVOSX-VHSXEESVSA-N	316.332	3.424	10	20	DGCD	
CN1CCN(CCCSc2ncc(C(C)(C)C)s2)CC1	181323032	JZXCILOSGNBFLG-UHFFFAOYSA-N	313.536	3.170	10	20	DGCD	
C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	183511380	ZTTMKZAPVBBZKB-STQMWFEESA-N	306.406	3.052	10	20	DGCD	
COc1ccc(OCCN[C@H](C)c2cc(C)ccc2O)cc1	184903565	LHOWTRPCYFOQCU-CQSZACIVSA-N	301.386	3.439	10	20	DGCD	
CCCN(Cc1cc(OC)ccc1O)c1ccc(CN)cc1	194980361	JUVOUXBZTALELW-UHFFFAOYSA-N	300.402	3.276	10	20	DGCD	
CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2O)CC1	228792315	GDBQDKWCAVCTES-OAHLLOKOSA-N	320.433	3.271	10	20	DGCD	
NCCCN(Cc1ccccc1)Cc1cc(Cl)ccc1O	230004426	PKEUJVHDJYLACX-UHFFFAOYSA-N	304.821	3.397	10	20	DGCD	
CCCCCc1nnc(NC(=O)Cc2ccc(N)cc2)s1	236692040	RVUHZINIOIJDBC-UHFFFAOYSA-N	304.419	3.034	10	20	DGCD	
C[C@@H](NC[C@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1O	273364758	DTRIFRGBBUNJSX-TZMCWYRMSA-N	321.367	3.172	10	20	DGCD	
O=C(CCSc1nccs1)c1ccc2c(c1)OCCO2	278667517	GHDLWTWFQFNRJV-UHFFFAOYSA-N	307.396	3.279	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCCOCC2)c(C(F)(F)F)c1	280207919	IAZVZKRWQFPXAN-CYBMUJFWSA-N	316.367	3.430	10	20	DGCD	
CC[C@@H](NCCCN1CCCO[C@H](C)C1)c1ccc(C)cc1O	280233413	VKSXAKOCNDAMPZ-SJLPKXTDSA-N	320.477	3.242	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCc2cccc(C)n2)c1	287502880	NUMKIVZCNRBOAC-AWEZNQCLSA-N	300.402	3.388	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](C2CC2)C(F)(F)F)c1O	290178851	NOKJLSHVHXIWOP-LBPRGKRZSA-N	309.715	3.485	10	20	DGCD	
COc1cc(Cl)cc(CN(C)[C@@H](CO)c2ccccc2)c1O	294959185	DQAYXRDXGRPUOZ-HNNXBMFYSA-N	321.804	3.220	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NOCC1CC1	297285770	JTODLYPTGMKFQO-UHFFFAOYSA-N	317.433	3.160	10	20	DGCD	
COc1ccc(CCN[C@H]2CCc3cccc(O)c32)cc1F	297519365	CZAMFRDRZDOSRW-HNNXBMFYSA-N	301.361	3.360	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1	320779531	VCTQKJCPVUZLTA-NSHDSACASA-N	318.348	3.289	10	20	DGCD	
Cc1c(CNC(=O)c2cc(Cl)c[nH]2)n(C)c2ccccc12	352111915	OIAQCIYOFKJOSC-UHFFFAOYSA-N	301.777	3.398	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CNC2(C3CC3)CCOCC2)c1O	367567065	UBAHDELCRGEONG-UHFFFAOYSA-N	323.820	3.297	10	20	DGCD	
CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1O)CC(F)F	728899978	AAIWUDXKHPZSLL-UHFFFAOYSA-N	321.323	3.026	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC[C@H]1Cc1ccc(F)cc1	732275927	RYHZETLPEHVLKD-ZDUSSCGKSA-N	305.374	3.440	10	20	DGCD	
COc1ccc(CNCc2cc([N+](=O)[O-])ccc2O)cc1Cl	742368990	TVIRXBDLRKMREA-UHFFFAOYSA-N	322.748	3.252	10	20	DGCD	
COc1cc(Br)cc(CNC(C)(C)C2CC2)c1O	742374484	ZLYSEIZJBGTKRN-UHFFFAOYSA-N	314.223	3.442	10	20	DGCD	
Cc1ccc2c(c1)N(C(=O)/C=C\c1cncc(F)c1)C[C@@H](C)O2	747896794	XUELAJUPZIJLQM-RYWCDNDXSA-N	312.344	3.356	10	20	DGCD	
COc1cccc(CNc2nc(C)cc(C(F)(F)F)n2)c1O	754031003	QRPWYQMVYPLSNS-UHFFFAOYSA-N	313.279	3.130	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2(OC)CCCC2)cc1	754163454	OOBSLUWASHOOJF-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
COc1ncccc1CN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	756394779	YEUODJXHRMOPIF-GWCFXTLKSA-N	302.349	3.273	10	20	DGCD	
CCC(CC)[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)N(C)C	756398396	DPECSNKTHWFWJP-MLGOLLRUSA-N	323.437	3.317	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cccc(N(C)C)n2)c2c(O)ccc(F)c21	756770276	VTVSXOOMLYOEDW-SMDDNHRTSA-N	315.392	3.330	10	20	DGCD	
C[C@@H](NC[C@@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1	765289822	ORTGAOUGGPPRKO-AEFFLSMTSA-N	312.457	3.254	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@H]2c2ccccn2)cc1OC	768443848	VEJQRPGWTHXWPJ-HNNXBMFYSA-N	314.385	3.142	10	20	DGCD	
CCCN(Cc1ccc(N2CCN(C)CC2)cc1)CC(C)C	775653478	ICORADILXSDZOX-UHFFFAOYSA-N	303.494	3.306	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)C[C@H]1CCCC[C@@H]1O	779154993	XVRDFQAPQLYSJS-YGRLFVJLSA-N	301.789	3.168	10	20	DGCD	
CCC[C@@H]1C[C@H](C(=O)NCc2ccc(N(C)C)cc2C)CCO1	779916577	UMHDURKBNNKSRZ-CRAIPNDOSA-N	318.461	3.273	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@]2(C)CCO[C@H]2C)cc1	784243209	WACDAYVWMDUHJY-HNAYVOBHSA-N	312.413	3.391	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3CCSC3)CC2)cc1	785446768	UUYLKABKEUIOOM-AWEZNQCLSA-N	306.475	3.007	10	20	DGCD	
Cc1cscc1CNC(=O)NCc1ccc(N(C)C)c(F)c1	787124253	GMFJIAKFYUHIGH-UHFFFAOYSA-N	321.421	3.261	10	20	DGCD	
CN(C)c1ccc(CNc2ccc3oc(O)nc3c2)cc1F	789561454	DMVBRZSTVUUVGT-UHFFFAOYSA-N	301.321	3.351	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1nnc(-c2ccco2)o1	796304948	DQLYAANCAKBCGT-UHFFFAOYSA-N	311.341	3.291	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c1O	797541625	HMJILZNEKUFLIQ-MJBXVCDLSA-N	320.433	3.272	10	20	DGCD	
COc1cc(CN(C)Cc2cnc(C(C)C)nc2)c(O)cc1C	799579879	KMVXURHICGSKPL-UHFFFAOYSA-N	315.417	3.255	10	20	DGCD	
O=c1ccccn1C[C@H](NCc1ccccc1O)c1ccccc1	800313234	IYNJFINSBGZLPB-SFHVURJKSA-N	320.392	3.085	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CC=CC1	805203156	ZKXZBEVUYFQBID-UHFFFAOYSA-N	301.173	3.217	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccncn2)c1	808148936	AUERKZAHSMCNLQ-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
CN(C)c1ccc(OCc2csc(-c3cnn(C)c3)n2)cc1	810000717	KZNZPNBEWKNFTN-UHFFFAOYSA-N	314.414	3.189	10	20	DGCD	
COc1cc(C)cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O	811781147	YYTZGTAXFNGBIV-YOEHRIQHSA-N	305.418	3.099	10	20	DGCD	
c1nc([C@H](NCc2ccc3c(c2)CCO3)C2CCCCC2)n[nH]1	813857496	VSCFXQSMXBURJP-QGZVFWFLSA-N	312.417	3.151	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C)C[C@H](C(=O)O)C2)cc1F	817881548	KQZGRSQFTRLTCL-ZFWWWQNUSA-N	322.424	3.215	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NOCC1CCC1	824056457	VEHJJIFUWNDNPL-UHFFFAOYSA-N	319.449	3.404	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cc(C)c(C)cc1O	827751933	YYJWFRDNGAHHSQ-WMZOPIPTSA-N	305.418	3.221	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCCc2c(O)cccc21)c1ccccc1O	827946570	MJNDDSSLIRTSMU-WBMJQRKESA-N	311.381	3.395	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)c2nc(C)cs2)c1	830541215	VFAFSUQBEZLNSD-MNOVXSKESA-N	320.414	3.147	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COCC1CCCC1	836497545	QFOSOQPORAZAOL-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CN1CCN(c2ccc(CN(C)C3CC(C)(C)C3)cc2)CC1	839184607	KGMIWOOXTLZGBE-UHFFFAOYSA-N	301.478	3.059	10	20	DGCD	
COC(=O)Cc1cccc(NCc2ccc(N(C)C)cc2C)c1	840936153	FOTZOZXYBHFYQK-UHFFFAOYSA-N	312.413	3.389	10	20	DGCD	
Cc1cccc2c1CC[C@H]2NC(=O)NCCc1ccc(N)cc1	841790848	LCADKOYPQMIRNI-GOSISDBHSA-N	309.413	3.106	10	20	DGCD	
CC[C@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)O	843040655	WYRCLOVSLZQFEM-INIZCTEOSA-N	318.442	3.337	10	20	DGCD	
COc1cc(CNC[C@@H](C2CC2)N(C)C)c(O)c(C(C)(C)C)c1	850036172	LYIDNDGTBWSRSE-KRWDZBQOSA-N	320.477	3.128	10	20	DGCD	
COc1cc(CN[C@H](C)c2cnn(C)c2)c(O)c(C(C)(C)C)c1	850155820	AMAWJKYOIQOQMC-GFCCVEGCSA-N	317.433	3.283	10	20	DGCD	
CC[C@@H](NCCOCCF)c1ccc(C(F)(F)F)cc1O	853238602	MQHLMYKFVFZJPD-GFCCVEGCSA-N	309.303	3.438	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1(C)C	862385683	AWHJFVBUVYFRAM-MRXNPFEDSA-N	312.404	3.278	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cccc([C@H]3CCOC3)c2)c1	862757803	DRKAJRGFONYBDX-INIZCTEOSA-N	311.381	3.135	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc2nccnc2c1	871600891	YPIVZWJJRYQVOZ-PTNGSMBKSA-N	324.409	3.086	10	20	DGCD	
Cc1cc(CN2C[C@H]3COC[C@H]3C2)ccc1N1CCCCC1	872320483	YRNAKAVTYCBLNX-HDICACEKSA-N	300.446	3.064	10	20	DGCD	
Cc1ccc(CN2CCC[C@@H](c3nnc4ccccn34)C2)c(O)c1	876552339	RJAHELBWDCBQMD-MRXNPFEDSA-N	322.412	3.123	10	20	DGCD	
CC[C@H](C)[C@@H](CNC[C@H]1CCN(c2ccc(OC)cc2)C1)OC	877598194	KMCQUPYDTRLTEO-FRQCXROJSA-N	320.477	3.172	10	20	DGCD	
C[C@H](N[C@@H](CCO)Cc1ccccc1)c1c(O)cccc1F	886606528	ANWUQYJQPJHPEL-ZFWWWQNUSA-N	303.377	3.176	10	20	DGCD	
C[C@@H](NC(=O)NCCNC1CCCCCC1)c1ccccc1O	892040634	NBFOMSFNVZMITQ-CQSZACIVSA-N	319.449	3.065	10	20	DGCD	
COc1cc(C)cc(CNCc2ccc3c(c2)C[C@@H](C)O3)c1O	896825423	RYRBRBLXUQVIBR-CYBMUJFWSA-N	313.397	3.322	10	20	DGCD	
COc1ccc(CN[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1C	920182835	ZOCPVMZPGRCLAU-BFYDXBDKSA-N	304.478	3.460	10	20	DGCD	
COc1cccc(O)c1CNCc1ccc(Br)o1	1320574569	VIABGARFALJONU-UHFFFAOYSA-N	312.163	3.046	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1cccc(N(C)C)n1	1323830041	PAWIVVOFIHGLMD-UKRRQHHQSA-N	311.429	3.500	10	20	DGCD	
CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N)cc1	1336290598	PVTXBMSGOKLDLZ-SFHVURJKSA-N	311.429	3.432	10	20	DGCD	
C/C(=C/c1cccnc1)C(=O)N1CCCc2ccc(C(=O)O)cc21	1589007142	ZNUSHZYDMXCPGY-RAXLEYEMSA-N	322.364	3.163	10	20	DGCD	
CCCN(Cc1cc(C(=O)O)c(C)o1)c1ccc(CN)cc1	1595885940	NQEXVLDOWLDQBB-UHFFFAOYSA-N	302.374	3.162	10	20	DGCD	
CN(Cc1ccc2c(c1)CCC2)c1ccc(OCC(=O)O)cc1	1777072279	QAFZPBYUGBBSGT-UHFFFAOYSA-N	311.381	3.275	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc(Cl)c1[N+](=O)[O-]	176311730	DSXCRZSCXLEJEK-UHFFFAOYSA-N	320.732	3.226	10	20	DGCD	
O=C(CC1CCCCC1)N1CCN(Cc2ccccc2O)CC1	179567111	HPFPHKZGLDZILC-UHFFFAOYSA-N	316.445	3.007	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C	173290137	FZBAKMPCJMPPML-HOTGVXAUSA-N	313.445	3.393	10	20	DGCD	
CC(=O)Nc1cccc(CNCc2c(O)cccc2Cl)c1	113321777	QHKWWPRZBGVOEK-UHFFFAOYSA-N	304.777	3.294	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC(C(F)F)CC2)c1O	307882960	UVVPEWFVKSBDRY-UHFFFAOYSA-N	301.308	3.211	10	20	DGCD	
CN1CCC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1	68722633	UGKDTUOAGZMADX-SFHVURJKSA-N	301.478	3.108	10	20	DGCD	
CC[C@](C)(O)CN[C@@H](C)c1cc(Br)cc(C)c1O	187180846	NNDWCVVRAGHYHP-HZMBPMFUSA-N	316.239	3.275	10	20	DGCD	
CN(Cc1noc(C2CCCCC2)n1)c1ccc2c(c1)OCO2	121339616	XTCZDARVQPPREQ-UHFFFAOYSA-N	315.373	3.482	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCc1cccs1	47687897	YXUPXMXRZXRMRU-UHFFFAOYSA-N	315.442	3.348	10	20	DGCD	
CC[C@@H](OC1CCCCC1)C(=O)NCc1cccc(OC)c1O	131043287	RHYOPBQJJDCFNB-OAHLLOKOSA-N	321.417	3.145	10	20	DGCD	
CCCCN1CCC(N[C@@H](C)c2cc(OC)ccc2O)CC1	192844578	QYDXLUMOFNZFCD-AWEZNQCLSA-N	306.450	3.316	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](C)NC(=O)OC(C)(C)C)cc1C	192958022	YNEHRASEEUGMDO-CYBMUJFWSA-N	308.422	3.012	10	20	DGCD	
CCCN1CCC(N(C)Cc2cccc(OCC)c2O)CC1	92165523	FTYIJDPIIWSGQX-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCOC[C@H]2CCOC2)cc1	247947606	DRCSLCSGLHDJCZ-DLBZAZTESA-N	320.477	3.237	10	20	DGCD	
Cc1cc([C@](C)(O)CNCc2ccc(N(C)C)c(F)c2)c(C)o1	266166128	PLQVDIMFIPMUHC-GOSISDBHSA-N	320.408	3.099	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1SCCc2sccc21	266500999	GCGTVIIIOAPYAO-CQSZACIVSA-N	305.424	3.101	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)c2ccc(C)cc2)c1O	278905803	RQYIMZBDOJNYLZ-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCO[C@H](C(C)C)C2)c1	273482395	MFKGBYUPMIJIIT-JDFRZJQESA-N	321.417	3.033	10	20	DGCD	
COc1ccc([C@H](CO)N(C)Cc2cccc(Cl)c2O)cc1	271780358	HPWWRRJIUHZPTC-INIZCTEOSA-N	321.804	3.220	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)C[C@H]2CC[C@H]1C2	625916597	ZWJPPQLGXAAYJV-CKFHNAJUSA-N	314.429	3.304	10	20	DGCD	
CC(C)(NCc1cc(F)ccc1O)c1ccccc1[N+](=O)[O-]	292900408	ZYUSDHNHPORSPI-UHFFFAOYSA-N	304.321	3.464	10	20	DGCD	
Cc1cc(O)c(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1C	298310812	JSGFPZOWGRRATI-UHFFFAOYSA-N	324.424	3.273	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2O)c2ccccc2O1	294979693	GKIAYOPQCXIRJA-IAQYHMDHSA-N	314.341	3.302	10	20	DGCD	
COc1ccc(N[C@H]2CCc3cccc(O)c32)cc1NC(C)=O	296638808	CRYNOZGVJPCUMS-AWEZNQCLSA-N	312.369	3.459	10	20	DGCD	
CC[C@H](O)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	817012296	IPRKDIVIPHIVQM-HNNXBMFYSA-N	320.820	3.248	10	20	DGCD	
C[C@@H](C[C@H](O)c1ccco1)NCc1cc(Cl)c(F)cc1O	816559225	BVZBXCNOHOXTTC-XPTSAGLGSA-N	313.756	3.380	10	20	DGCD	
C[C@@H](N[C@@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1O	815594761	XMWNUPAIEKBQCQ-RNCFNFMXSA-N	303.324	3.223	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(OC)s1	813334768	YABZWHQXNPYBBW-UHFFFAOYSA-N	305.447	3.240	10	20	DGCD	
FC(F)c1cnc(NCCCSc2nccs2)nc1	827623576	LOWLSSQRBDQHSY-UHFFFAOYSA-N	302.375	3.465	10	20	DGCD	
CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)N1CCCCC1	827930618	MVHCLIRBAHRDBD-PBHICJAKSA-N	304.434	3.080	10	20	DGCD	
CO[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(Br)cc1O	834886863	PHSAPYMMIZZNMI-GAJTVXKRSA-N	314.223	3.373	10	20	DGCD	
CCOc1cc(C)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1	588405911	ASZMEHQBIQXLHE-TWGQIWQCSA-N	313.353	3.457	10	20	DGCD	
C[C@@H](NCc1ccc(CCO)cc1)c1cc(F)cc(F)c1O	903403479	RALOKULOEJHCQQ-LLVKDONJSA-N	307.340	3.056	10	20	DGCD	
CCCCC[C@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O	832713813	RKBIEQUFOYUQBS-LBPRGKRZSA-N	320.216	3.256	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2ccc3c(c2)CCCN3C)[C@H]1SC	838918636	UAMPLBXTFFWAAM-CGTJXYLNSA-N	320.502	3.068	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCS2)cc1	743290215	DOZSJOCELBMJJV-MRXNPFEDSA-N	306.475	3.387	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](CCO)c2ccccc2)c1O	846146945	SYKQNQUHPWQDLP-GOEBONIOSA-N	315.413	3.218	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C[C@H](C)O)C2CC2)cc1	848361597	SNGIKOLOVPFHJG-HNNXBMFYSA-N	312.413	3.080	10	20	DGCD	
CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(Cl)ccc1O	845709095	MPIWWVWQKCWUPF-UHFFFAOYSA-N	310.741	3.091	10	20	DGCD	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCNC1	841032927	HSYAALKZYOENQK-NXEZZACHSA-N	303.233	3.177	10	20	DGCD	
C[C@H](NCc1cccc(Cl)c1O)[C@@H]1C[C@H](C(=O)O)C1(C)C	848641158	ZIJXQFZDTKGOIA-ZMLRMANQSA-N	311.809	3.271	10	20	DGCD	
CC(=O)Nc1cccc(NC(=S)NNc2ccccc2F)c1	913147821	LKWDUWKJMOUOTL-UHFFFAOYSA-N	318.377	3.098	10	20	DGCD	
Cc1cc(CN(C[C@@H](C)O)C2CC2)ccc1N1CCCCC1	847095430	BREQELQIYSPKEJ-MRXNPFEDSA-N	302.462	3.331	10	20	DGCD	
CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)C(C)C	840879824	TXAMKNFNFIROGL-MOPGFXCFSA-N	320.477	3.049	10	20	DGCD	
CCOC(=O)c1cc(NCc2ccc(N(C)C)cc2C)cn1C	840948835	LIWHUROWFYZCOJ-UHFFFAOYSA-N	315.417	3.188	10	20	DGCD	
CCCCO[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	920878835	MBWJDTXUTOYEDZ-HNNXBMFYSA-N	318.461	3.449	10	20	DGCD	
CC[C@@H]1C[C@@H](C)CN1C(=O)NCCCSc1nccs1	759602499	VYNAKAULFNUVFB-VXGBXAGGSA-N	313.492	3.455	10	20	DGCD	
CCc1c(C(=O)NCc2ccccc2O)cnn1CCC(C)C	756861040	JBIZHPANOIWPOZ-UHFFFAOYSA-N	315.417	3.127	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCC2OCCCO2)cc1	754643265	UCLQYQKPESTHJB-UHFFFAOYSA-N	306.450	3.118	10	20	DGCD	
CO[C@]1(C)C[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1(C)C	756627239	SOEQTHSPLQIKAB-JMPLFQLZSA-N	308.378	3.155	10	20	DGCD	
CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1	921815219	IXNLSGWHWMRWIQ-JLHGSKIFSA-N	321.486	3.181	10	20	DGCD	
CCOc1ccc(CNc2nnc(C(F)F)s2)c(O)c1	759096090	LXCXIBGLAHQXSW-UHFFFAOYSA-N	301.318	3.192	10	20	DGCD	
C[C@@H](NCc1nc2cc(F)ccc2n1C)c1cc(F)ccc1O	756733552	PXNWKKOZIRHILN-SNVBAGLBSA-N	317.339	3.408	10	20	DGCD	
C[C@@H](NCc1ccc(Cl)nc1)c1cc([N+](=O)[O-])ccc1O	756432578	JERUXNAZJQDIBP-SECBINFHSA-N	307.737	3.200	10	20	DGCD	
COc1ccc(CNCc2ccc3c(c2)CCCO3)cc1OC	921473734	ZENYNCUHYWKEFN-UHFFFAOYSA-N	313.397	3.319	10	20	DGCD	
CCc1csc(N(C)Cc2ccc(N3CCOCC3)cc2)n1	756955795	CNUFXIVREVWJSZ-UHFFFAOYSA-N	317.458	3.179	10	20	DGCD	
C[C@H]1C[C@H](NCCC(=O)N2CCCCC2)c2c(O)ccc(F)c21	756433736	YGYRENBFOGVUJQ-JSGCOSHPSA-N	320.408	3.072	10	20	DGCD	
CCn1c(C)nc([N+](=O)[O-])c1Sc1ncc(Cl)s1	853964460	NNEXFXPUJHLPHS-UHFFFAOYSA-N	304.784	3.381	10	20	DGCD	
COc1cc(CNCc2c[nH]nc2C)c(O)c(C(C)(C)C)c1	850028490	BETUCUBZSXIIPE-UHFFFAOYSA-N	303.406	3.020	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1	850559230	YFNNXGSRUWZDKS-HUUCEWRRSA-N	318.461	3.307	10	20	DGCD	
C[C@H](NC(=O)N1CCSC[C@H](C)C1)c1ccc(N(C)C)cc1	753203863	KWRSAGBFDZHDQS-KGLIPLIRSA-N	321.490	3.208	10	20	DGCD	
COC[C@H](Cc1ccccc1)N(C)Cc1ccc(N(C)C)cc1	753966562	ZGVGMQTYMUZCKS-FQEVSTJZSA-N	312.457	3.442	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](C)C1	756413086	XPEOPVFXNUCGNP-HZSPNIEDSA-N	321.421	3.071	10	20	DGCD	
Cc1conc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	865603877	OETORFZXECVFCE-UHFFFAOYSA-N	313.401	3.149	10	20	DGCD	
COc1cccc(O)c1CN(C)CCCOc1ccccc1	768824517	GUEPFCYGLPFCOS-UHFFFAOYSA-N	301.386	3.302	10	20	DGCD	
C[C@@H](NC(=O)NCC[C@@H](C)N1CCCCC1)c1ccccc1O	875486071	VLSLGLLWUKMDTD-HUUCEWRRSA-N	319.449	3.017	10	20	DGCD	
Cc1cccc(CN2CCN(c3cccc(F)c3F)CC2)c1O	775696773	ODUMUOPDWSJYBI-UHFFFAOYSA-N	318.367	3.301	10	20	DGCD	
CC[C@H](NC[C@H]1C[C@H](N)C1)c1ccc(Cl)c(Cl)c1O	873258488	RPLDVUONOCIIPX-AUTRQRHGSA-N	303.233	3.477	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@]2(C1)OCc1ccccc12	770665025	NLYIPHDJWUNMCA-LJQANCHMSA-N	311.381	3.032	10	20	DGCD	
Oc1ccc(F)cc1CN1CCc2c(ncn2-c2ccccc2)C1	779143496	JQWDKRRZWSUGGH-UHFFFAOYSA-N	323.371	3.275	10	20	DGCD	
C/C(=C\C1CCC(C)CC1)C(=O)NCc1cccc(O)c1O	1123890441	YSGWNSVDYVZXSO-JLHYYAGUSA-N	303.402	3.487	10	20	DGCD	
CCOc1ccc(CN(CCN(C)C)C2CCCC2)c(O)c1	779174510	OOVIHNDPCIXMID-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2c2ccccc2)cc1	782008670	QVRQORWUEJEVAG-IBGZPJMESA-N	323.440	3.038	10	20	DGCD	
C[C@@H](NC(=O)/C=C\c1cccc(O)c1)c1ccc(N(C)C)cc1	781036181	NVKJOHPAVXGLKQ-YRBHFNIASA-N	310.397	3.349	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NC/C=C\Cl)cc1	899054750	DUPKKUKVZMMFDK-WDZFZDKYSA-N	309.841	3.427	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cnn(C2CCC2)c1	893614791	QXLABYHNISCBOC-UHFFFAOYSA-N	312.417	3.073	10	20	DGCD	
COc1c(CNC(=O)c2cc(O)cs2)oc2ccccc12	789913950	BLBTYDNSSCZMLF-UHFFFAOYSA-N	303.339	3.139	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2CCOc3ccc(F)cc32)c1O	894231142	NZMDUWJCOXHTPV-HNNXBMFYSA-N	317.360	3.462	10	20	DGCD	
CC1=C(C)CN(C(=O)NCCCSc2nccs2)CC1	797476505	UKUXPKOMBPRJNI-UHFFFAOYSA-N	311.476	3.377	10	20	DGCD	
COc1ccc(CNC(=O)/C=C/c2ccc(Cl)s2)c(O)c1	794378053	XBNDJAOCWJFMEF-FNORWQNLSA-N	323.801	3.445	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2Cc3[nH]c4ccccc4c3C2)cc1	799716464	RXVSXYVKOPYWOT-OAHLLOKOSA-N	305.425	3.491	10	20	DGCD	
Cc1ccc(C(=O)OCc2cnc3ccccc3c2)c(O)c1O	798608270	RKDNBBIXPBZBTN-UHFFFAOYSA-N	309.321	3.311	10	20	DGCD	
OCC[C@@H](Cc1ccccc1)NCc1cccc(Cl)c1O	799738955	DHHPEECXYIXCEG-HNNXBMFYSA-N	305.805	3.129	10	20	DGCD	
CCOc1ccc(O)c(CN(C)Cc2cnc(C(C)C)nc2)c1	799737008	QUXWGKNVBXXREW-UHFFFAOYSA-N	315.417	3.336	10	20	DGCD	
CCn1ncnc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1O	794840192	HCBUZRBTEQPENL-QMMMGPOBSA-N	315.204	3.161	10	20	DGCD	
OC1CCN(c2ccc(CNc3ccc4cn[nH]c4c3)cc2)CC1	76275503	UHBPBPXVWCTKKG-UHFFFAOYSA-N	322.412	3.136	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](C)c2ccc(F)c(F)c2)c1O	1318781119	XUHYIAVNHUQMDA-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2nocc2C)cc1	1319526422	SNBINJMXBGLLII-UHFFFAOYSA-N	302.378	3.151	10	20	DGCD	
COC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccccc1	1353585548	YBCHGDWXSGKBSL-MRXNPFEDSA-N	301.386	3.187	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CC(C)(C)C[C@H]1C	1520738832	PXZBAKVGTIRMKA-SNVBAGLBSA-N	306.435	3.357	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)cc1Cl	1600285842	HKQRFEWAWJOQGS-SUHUHFCYSA-N	309.793	3.039	10	20	DGCD	
Cc1nc(NCc2c(O)ccc3c2CCCC3)ccc1C(=O)O	1600717078	XOVHFNDLYAXTPA-UHFFFAOYSA-N	312.369	3.285	10	20	DGCD	
Cc1cc(CNC2CC(CC(=O)O)C2)c(C)n1-c1ccccc1	1607647931	LDPHECCMUGHWLT-UHFFFAOYSA-N	312.413	3.437	10	20	DGCD	
Cc1cc(-c2nn[nH]n2)cc(C)c1CN[C@@H](C)c1ccccc1O	1591847668	BXFZSRXQKRAERN-ZDUSSCGKSA-N	323.400	3.040	10	20	DGCD	
C[C@H](N[C@H](C)Cc1cccs1)c1cc(C(=O)O)ccc1O	1592902826	ORKYNMDQICQBDR-MNOVXSKESA-N	305.399	3.434	10	20	DGCD	
CC1(C)C[C@@H](NCc2cc(Br)ccc2O)CCO1	160466475	YRVZEKCUALRCGB-LBPRGKRZSA-N	314.223	3.202	10	20	DGCD	
CO[C@@H](C)CCNCc1cc(Cl)cc(Br)c1O	708100201	UDSKEMVEIRNJOU-QMMMGPOBSA-N	322.630	3.323	10	20	DGCD	
CCCCN(CC)C(=O)NCc1ccc2c(c1)CCCN2C	60592380	DTWJBIPSCCOLQY-UHFFFAOYSA-N	303.450	3.401	10	20	DGCD	
CCCCS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	64943089	NEZVJGSDQKRACS-UHFFFAOYSA-N	324.490	3.239	10	20	DGCD	
CN(C)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	92938302	HRCTZGZWWQRWBJ-LJQANCHMSA-N	301.478	3.203	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCOCC(F)(F)F	104154202	DMZCRMYYTGBWFI-UHFFFAOYSA-N	318.122	3.368	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1F	108968715	JUIZLMWVJKODQJ-LBPRGKRZSA-N	318.367	3.451	10	20	DGCD	
COc1ccc(N(C)Cc2cccc(NC(C)=O)c2)cc1F	121786182	SXYHPDMKLHMIPU-UHFFFAOYSA-N	302.349	3.429	10	20	DGCD	
O[C@H](CNCc1ccc2c(c1)CCO2)c1ccc(Cl)c(F)c1	136155582	XEQDSCBHGZGSJS-MRXNPFEDSA-N	321.779	3.237	10	20	DGCD	
CN(Cc1cc(Br)ccc1O)CC1CCOCC1	156027228	SFVDBXXZHPCBKW-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
CCC[C@H]1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	182904123	NAHBLUDYVDRUDE-AEFFLSMTSA-N	318.461	3.306	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCCOCC2CCOCC2)c1	185520086	RFROXIVJDAWXLY-OAHLLOKOSA-N	307.434	3.185	10	20	DGCD	
C[C@H](NCc1cc(F)ccc1O)[C@@H](c1ccccc1)N(C)C	186457370	WESWTOPVHCWSRG-UGSOOPFHSA-N	302.393	3.312	10	20	DGCD	
Cc1ccc(N2CCCC2)c(C(=O)NCCc2ccc(N)cc2)c1	237872220	VKYRILOKKJGEGR-UHFFFAOYSA-N	323.440	3.150	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCn2ccnc2C)cc1	268911686	ZAVGWPWOBRCQRY-HNNXBMFYSA-N	300.450	3.389	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c(O)c1O	272718759	DYHZHOLNOBHKHE-LBPRGKRZSA-N	315.344	3.175	10	20	DGCD	
COCCOCCCN[C@H](C)c1ccc(Cl)c(Cl)c1O	273431110	VRPSTTMTSNRZHM-SNVBAGLBSA-N	322.232	3.403	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c1	273540894	YFYZTQXERCCUQI-BMIGLBTASA-N	323.339	3.063	10	20	DGCD	
Cc1nc(C(C)C)oc1C(=O)NCc1ccc(N(C)C)cc1	292090110	XYWUAQXTCOGKST-UHFFFAOYSA-N	301.390	3.102	10	20	DGCD	
CC(C)C[C@@H](C)OC(=O)NCc1ccc(N2CCOCC2)cc1	294338715	JROTXYVPEOHBBO-OAHLLOKOSA-N	320.433	3.184	10	20	DGCD	
CCC[C@](C)(N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	320249093	PKHKTQKKJIWWJD-IBGZPJMESA-N	317.477	3.153	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c1O	373472903	GOLKYWPVOXPCJH-ZUZCIYMTSA-N	311.809	3.054	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](OC(C)C)C2)c1O	404468649	CLCFSRDLSKWGFZ-OAHLLOKOSA-N	309.381	3.123	10	20	DGCD	
CCC(CC)(CO)CNCc1ccc(Br)cc1O	691487749	IXIRXBMRBZDDHR-UHFFFAOYSA-N	316.239	3.043	10	20	DGCD	
C[C@H](Cc1ccco1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	725843697	CSJLTZDORYOYAB-SECBINFHSA-N	310.737	3.268	10	20	DGCD	
Cc1noc([C@@H](C)NCc2cc(Cl)cc(Cl)c2O)n1	729684380	NOELVEFAZDZPSN-ZCFIWIBFSA-N	302.161	3.241	10	20	DGCD	
CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(O)cs2)cc1	731910963	XPOUBOYAWJDTNW-SNVBAGLBSA-N	319.382	3.200	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)c1	734065766	DIUPMEWQKURURZ-IHRRRGAJSA-N	318.417	3.026	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[C@H](C)CC1	734668436	GFMMLGIFPZVZGE-SAZUREKKSA-N	303.450	3.439	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CSc2ccccc21	735585290	DBOTZZYIZRDEEQ-CQSZACIVSA-N	314.410	3.381	10	20	DGCD	
CCN(CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(OC)cc1	746109012	HLCHHNRZGUHYIZ-HUUCEWRRSA-N	304.434	3.026	10	20	DGCD	
CCN(Cc1cc(C(=O)OC)c(C)o1)c1ccc(OC)cc1	746110005	ZQLXNFDPPFYSQQ-UHFFFAOYSA-N	303.358	3.410	10	20	DGCD	
CCSCC[C@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O	756618418	PXNGTRYJTVLFFP-RYUDHWBXSA-N	311.447	3.361	10	20	DGCD	
CC(C)(C)c1cnc(COC(=O)/C=C\c2ccc(O)c(O)c2)o1	759590837	ATYFHGGKRZRLSP-ALCCZGGFSA-N	317.341	3.140	10	20	DGCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCC1CCC1	761353855	NEKVTBDVTMMSAT-UHFFFAOYSA-N	322.792	3.000	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@]2(N(C)C)CCSC2)cc1	766438406	LEFNUDOJFFBEFW-MAUKXSAKSA-N	321.534	3.231	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)CC(F)(F)F)c1	768270422	AIGQPTHREQAEIN-BDAKNGLRSA-N	305.296	3.170	10	20	DGCD	
COC(=O)COc1ccc(N(C)CCc2ccccc2F)cc1	769555874	XZQVODRAPLWCRF-UHFFFAOYSA-N	317.360	3.056	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCc2ccon2)cc1	770099352	MJVQUXDUFSZXFE-UHFFFAOYSA-N	309.369	3.055	10	20	DGCD	
Cc1cn2nc(N[C@@H](C)c3ccc(N(C)C)cc3)sc2n1	772302032	ZPRMOGRQGDYVCA-NSHDSACASA-N	301.419	3.338	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cccc(C(F)(F)F)n1	775741884	MCOTXCWOSROTKM-UHFFFAOYSA-N	311.263	3.128	10	20	DGCD	
CC[C@H](N[C@H]1CCn2ccnc2C1)c1cc(Cl)ccc1O	779067355	VZBNVDPYQWIEHB-JSGCOSHPSA-N	305.809	3.298	10	20	DGCD	
CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(OC)c1	779501655	WRNCYVIRPOLSIX-CSKARUKUSA-N	313.353	3.173	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1	783199653	PRJRDRGFMIYWSO-VXGBXAGGSA-N	306.358	3.040	10	20	DGCD	
Oc1ccc2c(c1)CCN(Cc1c(O)ccc(Cl)c1F)CC2	792166336	XUBOKCSJJZZPBV-UHFFFAOYSA-N	321.779	3.491	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2CCCCC2(C)C)c(O)c1	792998935	VIAJJTXOFFTRQC-HNNXBMFYSA-N	306.406	3.169	10	20	DGCD	
CC(C)n1nccc1CN(C)c1ccc(OCCN(C)C)cc1	793075577	XXVXQWCYIRSEBA-UHFFFAOYSA-N	316.449	3.041	10	20	DGCD	
CCn1ncnc1CNCc1cc(C)n(-c2cccc(C)c2)c1C	793344757	WBTYBNRABLVKSE-UHFFFAOYSA-N	323.444	3.304	10	20	DGCD	
CC(C)(CO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796300271	UETAGYMKTDSTBU-UHFFFAOYSA-N	310.441	3.110	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(C)C)nc1	819760949	LDESPEGCLGQKTG-UHFFFAOYSA-N	319.401	3.326	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2c(O)n[nH]c2C)c1	820401775	DUPOUFFGPDPQFJ-UHFFFAOYSA-N	324.384	3.392	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C	822210777	QQUUQBOETKRETG-ZDUSSCGKSA-N	323.400	3.040	10	20	DGCD	
CC[C@H](N[C@@H]1COC[C@@H]1OC)c1ccc(Cl)c(Cl)c1O	840826787	VVQHNYBMRWKPMH-TUAOUCFPSA-N	320.216	3.154	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@H](O)c1cccc(F)c1	840935294	KSKLCJGXTSSDSJ-LIRRHRJNSA-N	316.420	3.412	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](CC(=O)O)C2)cc1	840997575	XLTGDCVDVFOQKI-INIZCTEOSA-N	304.434	3.220	10	20	DGCD	
NC[C@H](NCc1cc(Cl)cc(Cl)c1O)C1CCCC1	841087442	NNDRJYQDQWQMBR-ZDUSSCGKSA-N	303.233	3.306	10	20	DGCD	
C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccccc1	841955226	WGSGGBQDHLYVPP-KSSFIOAISA-N	309.413	3.214	10	20	DGCD	
C[C@H](NCCC1CCNCC1)c1cccc(C(F)(F)F)c1O	844925994	SRWOENBIPGENIE-NSHDSACASA-N	316.367	3.451	10	20	DGCD	
CCc1cccc(CNC[C@@](C)(O)c2ccc(F)cc2)c1O	848901170	VXCCOSVRSIATHS-GOSISDBHSA-N	303.377	3.091	10	20	DGCD	
CNC(=O)CC1(CN[C@H](C)c2cc(F)ccc2O)CCCCC1	850557034	VDCSGRWRUKDWDD-CYBMUJFWSA-N	322.424	3.269	10	20	DGCD	
Cc1ccnn1CC(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1	860847750	QZXZYIINIHOQPO-UHFFFAOYSA-N	323.396	3.168	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@@](O)(c2ccccc2)C1	862483605	VGRCYZSFTILKAB-SFHVURJKSA-N	301.361	3.015	10	20	DGCD	
Cc1cccc(O)c1CNC1CCN(C(=O)OC(C)(C)C)CC1	877018618	ZFMZPAPHAZHKGC-UHFFFAOYSA-N	320.433	3.190	10	20	DGCD	
CC[C@H](N[C@@H](CCO)C(F)(F)F)c1ccc(N(C)C)cc1	886799028	LPANPTQWMGCNQD-KBPBESRZSA-N	304.356	3.107	10	20	DGCD	
COCCOc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)o1	893683378	HHEXIWAMQYNGON-CQSZACIVSA-N	318.417	3.222	10	20	DGCD	
CCCSC[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1	895451535	ORIKAIMSMCGXIM-HNNXBMFYSA-N	322.518	3.269	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCO2)[C@@H](O)c1cccc(F)c1	921818125	XQVGUZBRAIRZLR-ORAYPTAESA-N	315.388	3.362	10	20	DGCD	
CSc1cc(CNCc2ccc3c(c2)CCCO3)ccn1	921959684	ISOPTEYRNMGKAH-UHFFFAOYSA-N	300.427	3.418	10	20	DGCD	
C[C@](O)(CNCc1cc(Cl)ccc1O)c1cccc(F)c1	922564944	XDJNYPJLXJQJGD-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
CCOCc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1	1116509815	CQRQYQDHOPNSQK-POHAHGRESA-N	313.353	3.286	10	20	DGCD	
COc1cc(C)cc(CN[C@H](CCN(C)C)C(C)(C)C)c1O	1119510045	MFPKZJRYSXGYQN-MRXNPFEDSA-N	308.466	3.165	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H]1OC	1120734543	MENFJPANSZQPIL-NVXWUHKLSA-N	305.418	3.336	10	20	DGCD	
Cc1ccc(/C=C\C(=O)N(C)c2cccc3c2CCCN3)cn1	1335942331	YPUKEWRMDKIKQX-KHPPLWFESA-N	307.397	3.424	10	20	DGCD	
CC[C@H](C)n1nccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1338971588	UGEIQRIWDJAAES-UONOGXRCSA-N	314.433	3.411	10	20	DGCD	
O=C(CC[C@@H]1CCCCO1)Nc1c(Cl)ccc2nonc12	1342949442	BYLXCZCAZYKERX-VIFPVBQESA-N	309.753	3.164	10	20	DGCD	
CCN(CC)c1ccc(/C=C\c2ncncc2C(=O)O)cc1F	1596289047	CLJVJUNXGDLLOY-ALCCZGGFSA-N	315.348	3.331	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H]2C(C)(C)C(=O)O)cc1	1776855906	IUCZKIFNWDLCHD-INIZCTEOSA-N	304.434	3.218	10	20	DGCD	
CS[C@@H](C)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	90726636	MXJJVQYMFMZDIS-STQMWFEESA-N	312.454	3.064	10	20	DGCD	
CN(CC[C@H]1CCOC1=O)Cc1ccc(N2CCCCC2)cc1	120057779	FFBVEBQFPULDAK-KRWDZBQOSA-N	316.445	3.062	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NCC3(C4CC4)CC3)ccc21	123596624	KMYBQVWHVVUYTJ-UHFFFAOYSA-N	313.445	3.058	10	20	DGCD	
CC[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccccc1O	155543934	DBEKLPZKDJECBU-AWEZNQCLSA-N	316.367	3.460	10	20	DGCD	
CC[C@H](N[C@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1	157714919	XFGLFFUEDXRNIC-HKUYNNGSSA-N	301.478	3.278	10	20	DGCD	
COc1cc(F)cc(NC(=O)NCc2ccc(N(C)C)cc2)c1	162452113	SBGFKEFAEMICEW-UHFFFAOYSA-N	317.364	3.222	10	20	DGCD	
CCOc1cccc(CN[C@H](COC)c2ccc(C)o2)c1O	177569959	YRKPSPVPRCFWMB-CQSZACIVSA-N	305.374	3.170	10	20	DGCD	
COc1cc(CN2CCCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1	178891857	KIZWFWZPDKKLHF-ZDUSSCGKSA-N	307.434	3.309	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@@H](c2ccccc2F)C1	180060039	MRNMQIXUUZCBKZ-QGZVFWFLSA-N	305.324	3.244	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn(CCC)c1	183259760	XECOGOWRWAETHD-UHFFFAOYSA-N	301.390	3.051	10	20	DGCD	
C[C@@H](NCCN1CCc2sccc2C1)c1ccc(F)cc1O	185104795	IXUKQWCSEWJBTF-GFCCVEGCSA-N	320.433	3.302	10	20	DGCD	
C[C@H](NCCCCCCO)c1ccc(Br)cc1O	186231533	IVVCELAVXXLLQV-NSHDSACASA-N	316.239	3.358	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(C2CCC2)cc1	189544559	SBBOYKNRMHVGJX-UHFFFAOYSA-N	311.381	3.338	10	20	DGCD	
CCC[C@H](CCO)CNCc1cccc(Br)c1O	231386895	WXQPCFRUMSYZAZ-LLVKDONJSA-N	316.239	3.043	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)c1nc(C(C)(C)C)cs1	237640117	WLJGLUKZQMOPJK-LLVKDONJSA-N	317.458	3.443	10	20	DGCD	
COc1cccc(CN[C@@H](C)[C@@H](OC)c2ccc(F)cc2)c1O	271331565	FQGDJBSWUDWAKD-KPZWWZAWSA-N	319.376	3.406	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCCCSC)c1	274779455	KHLYLUNYNXIGBS-GFCCVEGCSA-N	311.447	3.363	10	20	DGCD	
CCn1nc(CNCc2cccc(OC)c2O)c2ccccc21	289430373	KONRDUVWDNRPCV-UHFFFAOYSA-N	311.385	3.060	10	20	DGCD	
C[C@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccc(O)c(O)c1	588406596	JSXWVHGZDIMWFP-JWJUJFCLSA-N	309.365	3.084	10	20	DGCD	
CO[C@@H](C1CC1)[C@@H](C)NCc1c(O)cccc1Br	706881087	LXTYEQUPPVIWNJ-YMTOWFKASA-N	314.223	3.058	10	20	DGCD	
C[C@H]1SCC[C@H]1NCc1cc(Br)cc(F)c1O	715790717	CPEDUIZJLADCJG-RDDDGLTNSA-N	320.227	3.277	10	20	DGCD	
CCc1nc(CN(C)c2ccc(OCCN(C)C)cc2)cs1	732411257	ZBYBVALDGIFCAL-UHFFFAOYSA-N	319.474	3.282	10	20	DGCD	
COC[C@@H](C)NCc1ccc(OCc2ccccc2)cc1O	753571117	NEGFQIBVHZEZBL-CQSZACIVSA-N	301.386	3.096	10	20	DGCD	
CCN(CCNCc1cccc(C)c1O)CCC(F)(F)F	756129912	RBHRUCMDAFHEHB-UHFFFAOYSA-N	304.356	3.065	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1O	756351125	IXGQVMKBMJNTDE-YGRLFVJLSA-N	310.344	3.217	10	20	DGCD	
C[C@@]1(C(=O)O)CCCC[C@@H]1NCc1c(O)ccc(Cl)c1F	756388477	ORBQYWHVMQVXSF-SWLSCSKDSA-N	315.772	3.308	10	20	DGCD	
C[C@@H](NCCN1CCc2ccccc21)c1cc(F)cc(F)c1O	756483821	RWUGOZRROCUYNJ-GFCCVEGCSA-N	318.367	3.384	10	20	DGCD	
COC(=O)c1cc(COc2ccc(N(C)C)cc2)c(C)s1	757705297	SWGBKXQPKVBNLZ-UHFFFAOYSA-N	305.399	3.488	10	20	DGCD	
CCOC(=O)CN(Cc1cc(Cl)cc(Cl)c1O)C(C)C	768925438	FKXZLXJZUKUSCV-UHFFFAOYSA-N	320.216	3.473	10	20	DGCD	
CCn1cc(CN(C)Cc2cc(Br)ccc2O)cn1	769428995	XXKGHNJDCMAAFH-UHFFFAOYSA-N	324.222	3.003	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)c1ccc(N(C)C)cc1	776170962	QXKTVJOYBLLWGZ-DIUUUIEZSA-N	313.445	3.157	10	20	DGCD	
CN(CC(=O)Nc1ccccc1Cl)Cc1cc(F)ccc1O	778993398	ROUMNLQJKARQHI-UHFFFAOYSA-N	322.767	3.255	10	20	DGCD	
CCc1ccc(CNC(=O)COc2ccc(N(C)C)cc2)s1	786862554	DUBVVSJLTJHKAN-UHFFFAOYSA-N	318.442	3.072	10	20	DGCD	
CCOC(CCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21)OCC	786971692	XRUYYUXVAWTDDA-WCQYABFASA-N	311.397	3.458	10	20	DGCD	
O=C(OCc1ncc(Br)s1)c1cc(O)cs1	788943087	UDDLADHIVLLJRN-UHFFFAOYSA-N	320.189	3.030	10	20	DGCD	
C[C@H](N[C@H]1CSC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1	797063264	AWIFBLGOGRXKME-XEZPLFJOSA-N	324.465	3.064	10	20	DGCD	
Cc1cnn([C@@H]2CCN(Cc3cc(Cl)cc(F)c3O)C2)c1	811520351	NMPQOGPQWKFPME-CYBMUJFWSA-N	309.772	3.137	10	20	DGCD	
COc1ccc(O)c(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)c1	811806007	HPOOUTUUZACKPL-UHFFFAOYSA-N	316.313	3.124	10	20	DGCD	
CC[C@@H](Cc1cccs1)NC[C@@H](N)c1ccc(N(C)C)cc1	817941121	JCZHDNYUFDHOLB-MAUKXSAKSA-N	317.502	3.425	10	20	DGCD	
N[C@H](CN[C@H](CCc1ccccc1)c1ccccc1O)C1CC1	817965337	OQWWYBPTDNICTF-RTBURBONSA-N	310.441	3.393	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2)CCN(Cc2ccccc2O)C1	824976529	BVQQDCLIJLVWDL-KRWDZBQOSA-N	310.441	3.346	10	20	DGCD	
COc1cc(CN(C)CC2(O)CCC2)c(O)c(C(C)(C)C)c1	825514979	WCKGBTSNNADESU-UHFFFAOYSA-N	307.434	3.045	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[C@]2(C)N)cc1	827340465	AWJPREMQPRFPGG-MJGOQNOKSA-N	317.477	3.057	10	20	DGCD	
COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OC(C)C	832152020	MMVQYIRNNJUWBN-UHFFFAOYSA-N	314.385	3.246	10	20	DGCD	
C[C@@H](NC[C@@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1O	834911001	QXSOQHBJARFADG-VXGBXAGGSA-N	308.378	3.156	10	20	DGCD	
Fc1cccc2c1CN(Cc1ccc(N3CCOCC3)cc1)C2	839184557	VLEZHXKHFCRHLS-UHFFFAOYSA-N	312.388	3.178	10	20	DGCD	
CCCCN1CCC(NCc2ccc(N(C)C)cc2C)CC1	840930597	MDMGLSQLIWHDMA-UHFFFAOYSA-N	303.494	3.415	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CNCCC[C@@H]1CCCN1	841071760	AQAJGALQSQJFNI-GOSISDBHSA-N	301.478	3.299	10	20	DGCD	
CO[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC(C)C	841583995	WTZJLOYXDMMTOS-PBHICJAKSA-N	321.465	3.174	10	20	DGCD	
Cc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n(C)n1	841830113	FGKZVYCBUAGNSE-UHFFFAOYSA-N	300.450	3.205	10	20	DGCD	
CC(C)[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H]1C(C)C	841956123	VWWYTVJOXUPHCE-SJORKVTESA-N	303.450	3.133	10	20	DGCD	
Cc1cnc2cc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccn12	847760590	MDPMPLILRUIDPH-CQSZACIVSA-N	322.412	3.200	10	20	DGCD	
CC[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1	852595713	UHUSQPAKTSNMIJ-INIZCTEOSA-N	302.418	3.259	10	20	DGCD	
Cc1csc([C@H](C)C(=O)NCc2cc(Cl)ccc2O)n1	855022908	MFINXDFTOJDEKO-SECBINFHSA-N	310.806	3.230	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccc(CCO)cc2)cc1F	858149648	QPVXHPKJSAULBM-UHFFFAOYSA-N	306.356	3.178	10	20	DGCD	
CN1CCCC[C@@H](CNCc2cc(Cl)cc(F)c2O)C1	862483042	NWPRVKASDNXRRB-NSHDSACASA-N	300.805	3.006	10	20	DGCD	
C[C@@H](NC(=O)N[C@H](C1CC1)C(F)(F)F)c1ccccc1O	868617089	DSMWSNTWGUIEGI-PRHODGIISA-N	302.296	3.093	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCCCC3)nc2)c(O)c1	876936566	LIWZVCUPBFMAPD-UHFFFAOYSA-N	311.429	3.376	10	20	DGCD	
Oc1cc(Br)ccc1CN[C@@H]1C[C@H]1C(F)(F)F	877704021	WVGAPTJMIROPFJ-RKDXNWHRSA-N	310.113	3.195	10	20	DGCD	
COc1cc(C)cc(CNc2ccc(OCCCO)cc2)c1O	894755029	LNHBGXISEMPXKW-UHFFFAOYSA-N	317.385	3.083	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Cn3ccccc3=O)c2C)c1	917392668	KHZDTNZMPKSFBQ-UHFFFAOYSA-N	320.392	3.447	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](CO)CC(F)(F)F	1321037695	PVOARIQGWPCXDV-VWYCJHECSA-N	303.324	3.152	10	20	DGCD	
OC[C@@H]1Cc2ccccc2N1Cc1ccc(N2CCCC2)cc1	1350282490	JCFNONSVRBPMJH-IBGZPJMESA-N	308.425	3.210	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)c1cc(C(=O)O)co1	1600236017	FQIPXDIGIUVSTH-GFCCVEGCSA-N	302.374	3.203	10	20	DGCD	
C[C@H]1[C@H](C(=O)O)CCN1Cc1cc(-c2ccccc2)ccc1O	1609833677	LSQYKYHAYUGHEQ-SUMWQHHRSA-N	311.381	3.354	10	20	DGCD	
O=C(O)C[C@H]1CCCC[C@H]1NCc1c(O)ccc(Cl)c1F	1777649162	MJBCQNQEJDOZHH-BXKDBHETSA-N	315.772	3.308	10	20	DGCD	
CC[C@@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)CCO1	54572177	UZOIDAPTHVMCKY-CQSZACIVSA-N	318.442	3.407	10	20	DGCD	
COc1ccc(NC(=O)NCc2cccc(OC)c2O)c(C)c1	105033182	LDNMCQNWPISNLC-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)C[C@H]3CCCO3)cc2)CC1	170974855	ILYRNGGWDMODTK-GOSISDBHSA-N	316.445	3.108	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Cl)cn2)c1	175863469	RXBCFEPAAKWJSO-VIFPVBQESA-N	321.764	3.332	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1O	180925962	DWHSGEHYKSIPIF-UHFFFAOYSA-N	310.397	3.231	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cccc(C)c1F	189425118	PNUQUBARYGODGF-UHFFFAOYSA-N	309.362	3.203	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(F)(F)F	79774582	PRIPOKYTNHCLGF-UHFFFAOYSA-N	302.340	3.444	10	20	DGCD	
C[C@H]1[C@H](C)CCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	314964987	BAIFWHKRGMKPRW-OWVOXGNYSA-N	304.346	3.317	10	20	DGCD	
C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]2CCCC[C@@H]21	180507631	LQUBEQVKKWFFSM-QVAQIGNMSA-N	301.386	3.148	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](C)Cc2ccccc2F)c1O	131033013	DQXBKIDRIIUKPH-LBPRGKRZSA-N	317.360	3.035	10	20	DGCD	
CC[C@H](NCCCCCO)c1cc(Br)ccc1O	192929062	ISORXWGFJYEMJO-ZDUSSCGKSA-N	316.239	3.358	10	20	DGCD	
CCO[C@@H](CNCc1cc(OC)ccc1O)c1ccccc1	195190224	DEMSFAYXCPUBLT-SFHVURJKSA-N	301.386	3.268	10	20	DGCD	
Cc1ccc(OC(F)F)c(/C=C2\SC(=S)N(C)C2=O)c1	255618507	YRADFFYAQDXVSF-POHAHGRESA-N	315.366	3.427	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2O)CC[C@H]1NC(=O)OC(C)(C)C	271440194	RRJKIRJDOURHAF-DZGCQCFKSA-N	320.433	3.127	10	20	DGCD	
CSCCCN(C)C(=O)NCc1c(C)c2ccccc2n1C	546670944	NFWVFXFFFRGRJT-UHFFFAOYSA-N	319.474	3.381	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccnc(OC)c1	287264901	IQOKALODFGJRFY-UHFFFAOYSA-N	315.373	3.240	10	20	DGCD	
CC[C@H](Sc1ncc(C(=O)OC)s1)C(=O)OC(C)(C)C	295368469	SCRTVHHJTVVAPM-QMMMGPOBSA-N	317.432	3.142	10	20	DGCD	
FC1(F)CCCC[C@H]1CNCc1ccc(N2CCOCC2)cc1	390885387	VUGXSHDFHBSAKS-INIZCTEOSA-N	324.415	3.438	10	20	DGCD	
CCOc1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(O)c1	811518814	PEXSFYIWAVMKQO-ZWKOTPCHSA-N	317.429	3.324	10	20	DGCD	
COc1ccc2c(c1)CCCN2C[C@@H](O)Cc1ccc(F)cc1	815014007	UGBUHKQHTRQATL-KRWDZBQOSA-N	315.388	3.191	10	20	DGCD	
CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccc(O)c(O)c1	819398039	HQSRGCXLJUWPPX-HNNXBMFYSA-N	313.397	3.291	10	20	DGCD	
Cc1nccn1C[C@@H](C)CNCc1cc(Cl)c(F)cc1O	816532620	OXWQZKCTNLJVHP-JTQLQIEISA-N	311.788	3.116	10	20	DGCD	
CCCN(CC(=O)N(CCC)CCC)Cc1ccccc1O	729474951	LZQBNWWHOUGGQT-UHFFFAOYSA-N	306.450	3.253	10	20	DGCD	
COc1ccc(O)c(CN2CC3(CCC3)[C@H]2C2CCOCC2)c1	822530081	PMYXOLDIISQTQK-GOSISDBHSA-N	317.429	3.182	10	20	DGCD	
CCOc1ccc(N(CC)Cc2nc(C3CC3)nn2C)cc1	828044586	CLJDEJJIYADTDS-UHFFFAOYSA-N	300.406	3.118	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](CO)Cc2ccccc2)cc1Cl	825138456	MKGDIIPELFIOED-HNNXBMFYSA-N	319.832	3.295	10	20	DGCD	
COCCCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	725846199	WLDAWGCVSOTXIF-UHFFFAOYSA-N	321.421	3.101	10	20	DGCD	
CC[C@@H](NCc1ccc(Br)cc1O)[C@H]1CCCO1	825391524	XOERRIIHWYDULO-TZMCWYRMSA-N	314.223	3.202	10	20	DGCD	
Cc1cc([C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1	903449643	YYANMBCZEXWNKR-KSSFIOAISA-N	316.449	3.003	10	20	DGCD	
CCN(C(=O)CN[C@@H](C)c1cc(F)ccc1O)c1ccccc1	903197277	MNSLDRJJLNMCGQ-ZDUSSCGKSA-N	316.376	3.235	10	20	DGCD	
CO[C@](C)(C1CC1)[C@@H](C)NCc1cc(F)cc(C(C)=O)c1O	839641612	WRYLGORCBXYRMB-DIFFPNOSSA-N	309.381	3.027	10	20	DGCD	
CCCN(Cc1cc(O)nc(C2CC2)n1)Cc1ccccc1O	838859283	IYRLDASILJFNRC-UHFFFAOYSA-N	313.401	3.177	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](c3ccco3)C2)cc1	732233462	QYINACOQILWYAN-HNNXBMFYSA-N	313.401	3.045	10	20	DGCD	
CC(C)CN(Cc1cnn(C)c1)Cc1cccc(Cl)c1O	835077418	SCFKFWYLDBLHGC-UHFFFAOYSA-N	307.825	3.437	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@@H]([C@@H]2CCCNC2)C1	843126300	ICKNULNJBMIEQK-ZIAGYGMSSA-N	308.853	3.257	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2COCc3ccccc32)c1O	841891771	UOFNLSXWOIMLIA-OAHLLOKOSA-N	319.788	3.415	10	20	DGCD	
CC[C@@H](C)Oc1cc(-c2nc(Cc3ccc(N)cc3)no2)ccn1	843158636	FAMXYTXQKWXPEN-GFCCVEGCSA-N	324.384	3.482	10	20	DGCD	
CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(N)cc1	841299854	IYCLLCMDJORMSC-IUODEOHRSA-N	305.422	3.232	10	20	DGCD	
Cc1cccc2c1NC(=O)/C2=C\c1ccc(N2CCOCC2)cc1	841488261	KWSLLHXGSHUZBZ-AQTBWJFISA-N	320.392	3.324	10	20	DGCD	
C[C@H]1CN(CN2CCCc3cc(OC(F)F)ccc32)C(=O)[C@@H]1C	840037960	ZJBAXZBBECGTOK-NWDGAFQWSA-N	324.371	3.113	10	20	DGCD	
COc1cccc([C@H](C)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1O	846140368	PKGMKHAJJDLPHR-XHSDSOJGSA-N	320.477	3.419	10	20	DGCD	
CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2[C@H]2CCNC2)cc1	841087456	NWNXDBPYONRKDA-CFPAGDMOSA-N	313.489	3.230	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccco1)c1ccc(N(C)C)cc1	840355009	VKCRXTJUZXZYSX-APHBMKBZSA-N	313.401	3.262	10	20	DGCD	
CCOc1cccc(NC(=S)NCc2ncccc2F)c1	752765770	DMJMYNNXISWSAJ-UHFFFAOYSA-N	305.378	3.106	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1	753576840	UZDHHDYIFWZXAY-MRXNPFEDSA-N	302.462	3.391	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(Cl)ccc1F	758156828	ZTNPMOHDPQNVTG-UHFFFAOYSA-N	321.783	3.212	10	20	DGCD	
CC(C)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1	768452814	SROUNFYXHANEEU-UHFFFAOYSA-N	302.462	3.187	10	20	DGCD	
CN(CC(=O)OC(C)(C)C)Cc1cc(Cl)cc(Cl)c1O	769233313	QYJSXERLJVNOCZ-UHFFFAOYSA-N	320.216	3.473	10	20	DGCD	
C[C@@H]1CC(C)(C)C[C@@H]1NCc1ccc(N2CCOCC2)cc1	766215437	ZYTGEGYGXGMUCE-QAPCUYQASA-N	302.462	3.438	10	20	DGCD	
COC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCCC1	773010274	NUFYRJJALSFZGJ-AWEZNQCLSA-N	304.434	3.279	10	20	DGCD	
C/C=C/C[C@@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	771611491	LVMVQOAZDBFRHG-BDUNBXCCSA-N	312.413	3.151	10	20	DGCD	
CC[C@H](NC[C@H]1C[C@@H](N)C1)c1ccc(C(F)(F)F)cc1O	873249319	KWGSCKACCPAQTI-NDMJEZRESA-N	302.340	3.189	10	20	DGCD	
COc1cccc(N2CC[C@H](NCc3c(C)cccc3O)C2)c1	877004912	NPCHJDGHMOQZDD-HNNXBMFYSA-N	312.413	3.078	10	20	DGCD	
CSc1ccccc1CC(=O)NCc1ccc(N(C)C)cc1	776754088	YILRFGOFEAIKRD-UHFFFAOYSA-N	314.454	3.333	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1	773018689	ZOHSWGJDMDPXQM-AWEZNQCLSA-N	324.424	3.107	10	20	DGCD	
CC[C@H](NCc1ccc(OCCOC)nc1)c1ccccc1O	775488643	PVFAPVRZVYKUNA-INIZCTEOSA-N	316.401	3.053	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](C)C(C)(C)C2)c1O	775062535	AYKJLDCERHFBLQ-LLVKDONJSA-N	308.378	3.177	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1-c1cn[nH]c1	784469650	UGHOFVSHIWDXDA-SOFGYWHQSA-N	321.336	3.140	10	20	DGCD	
CCn1cc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)c(C)n1	894940596	UIAGAPDRJNICBW-HNNXBMFYSA-N	314.477	3.307	10	20	DGCD	
COc1ccc(CNC(=O)/C=C\Sc2ccccc2)c(O)c1	794371197	YIZZRSJSCXXPHL-KTKRTIGZSA-N	315.394	3.323	10	20	DGCD	
COC(=O)[C@]1(C)CCCN(Cc2ccc(N3CCCC3)cc2)C1	1204323006	YUWAJDYKVFIPNC-LJQANCHMSA-N	316.445	3.062	10	20	DGCD	
O=[N+]([O-])c1ccc(-c2nnc(C3=S=C4CCCC4=C3)o2)s1	1322198595	XCFIADQRVQTRIT-UHFFFAOYSA-N	319.367	3.256	10	20	DGCD	
NCCOc1ccc(NCc2ccc(N3CCCC3)cc2)cc1	1325628414	ZWXHUUBKLLCWOL-UHFFFAOYSA-N	311.429	3.236	10	20	DGCD	
Cc1ccc2c(c1)N[C@H](c1ccc(N3CCCC3)cc1)NC2=O	1332843795	QYRXWQOQTVRESU-SFHVURJKSA-N	307.397	3.449	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1CCC[C@@H](F)C1)c1ccc(N(C)C)cc1	1332095098	YOPYUIMBIGBENM-NWANDNLSSA-N	307.413	3.394	10	20	DGCD	
O=C(c1cccs1)C1CCN(C(=O)c2cc(O)cs2)CC1	1330167150	CAJXPWIFQYUCQR-UHFFFAOYSA-N	321.423	3.250	10	20	DGCD	
Cc1nnc(O)c(CN[C@H](C)c2ccc(Cl)cc2O)c1C	1348550281	FGRLAAXQLYJNQN-SNVBAGLBSA-N	307.781	3.009	10	20	DGCD	
Nc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1	1580443619	SWUIMDCYTUCILU-QWHCGFSZSA-N	320.314	3.106	10	20	DGCD	
CCOc1ccc(CNCc2ccc(C(=O)O)cc2O)c(C)c1	1776932773	HKJGRECSJKYVFD-UHFFFAOYSA-N	315.369	3.087	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CC(=O)O)CC(C)C)c(C)c1	1776856456	ASNDODFEPLALSA-MRXNPFEDSA-N	306.450	3.430	10	20	DGCD	
C[C@@H](OC1CCCCCC1)C(=O)NCCc1ccc(N)cc1	152563458	IZXGZTSLMLDYIV-CQSZACIVSA-N	304.434	3.055	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1sc(C)nc1C	53661712	CWRUZZOQGGCIRK-UHFFFAOYSA-N	317.458	3.488	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CCOC2)cc1F	176036312	UBDDIKVPGYIOLC-CQSZACIVSA-N	322.424	3.105	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccccc1F	115281217	ULXQJXGDUBCQEM-UHFFFAOYSA-N	300.377	3.059	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(C)cc1O	186177083	OPNCBCOHCJCRHS-CYBMUJFWSA-N	301.434	3.410	10	20	DGCD	
COc1cc(N(C)Cc2cc(C#N)cs2)cc(OC)c1OC	180757244	NHKYNOMZOQWEFJ-UHFFFAOYSA-N	318.398	3.282	10	20	DGCD	
CC[C@H](NCCN(C)C(=O)OC(C)(C)C)c1ccccc1O	155576716	JZOWFOSOSFQUED-AWEZNQCLSA-N	308.422	3.300	10	20	DGCD	
CN(CC1(c2ccccc2)CC1)C(=O)/C=C/c1ccc(O)c(O)c1	186766436	VAPAESFKWJXHCL-CSKARUKUSA-N	323.392	3.301	10	20	DGCD	
C[C@@H](NCC1(C)OCCO1)c1cc(Cl)c(Cl)cc1O	193065723	OTZZUBXQOZAYAH-MRVPVSSYSA-N	306.189	3.113	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)cc1	45449237	ZWCHIAWWUJMEGK-HOTGVXAUSA-N	312.413	3.344	10	20	DGCD	
C/C=C(\CC)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	190537942	RVXSQVPBGOSNNZ-SYZQJQIISA-N	302.418	3.090	10	20	DGCD	
C[C@H]1CC[C@@H](C)N1C(=O)NCc1ccc2c(c1)CCCN2C	131352316	LCQZPPIYQHBQMU-OKILXGFUSA-N	301.434	3.151	10	20	DGCD	
CCN(CC)[C@H](CNCc1cccc(OC)c1O)c1ccco1	236895532	IPNCUPIGKDFUHU-OAHLLOKOSA-N	318.417	3.167	10	20	DGCD	
C[C@@H]1[C@@H](C(=O)NCc2cccc(Br)c2O)[C@@H]1C1CC1	529170887	MAPQNCOENCBMRG-AQUOVQTQSA-N	324.218	3.063	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1	269029838	RXXPZEXEFPNKIJ-RLFYNMQTSA-N	322.518	3.440	10	20	DGCD	
CC(C)N(Cc1ccccc1F)C(=O)Cc1ccc(N)cc1	269227458	NFTVHQFTTWTFTP-UHFFFAOYSA-N	300.377	3.388	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@]2(C)CCO[C@H]2C2CC2)c1	368653160	QCJRPDPVRNILDF-UYHISHBKSA-N	305.418	3.257	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2ccccc2C)c1O	278202588	JCXVOOANMYBXQO-UHFFFAOYSA-N	316.357	3.249	10	20	DGCD	
COCCc1ccnc(N[C@@H](C)c2cc(OC)ccc2O)c1	286955466	BSAXWCBUQJKCGI-LBPRGKRZSA-N	302.374	3.158	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCc2nccn2C1)c1ccc(F)cc1O	287675883	VZPUOQPYEZOQOV-SWLSCSKDSA-N	303.381	3.031	10	20	DGCD	
CCOC(=O)N1CCC(N[C@H](CC)c2ccc(C)cc2O)CC1	280189270	SEHYTMUOKOPIJP-MRXNPFEDSA-N	320.433	3.362	10	20	DGCD	
COc1cccc(O)c1CN[C@H](C)c1nccn1-c1ccccc1	808428797	PRQORTZVMAWAFZ-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1c(F)cccc1[N+](=O)[O-]	804605000	KZPPNOZEAFWKNE-VIFPVBQESA-N	306.293	3.188	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCNC(=O)OC(C)(C)C)c(O)c1	293587696	FFXQICPYGLTUBB-ZDUSSCGKSA-N	308.422	3.184	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1O	290157012	DARSAOLTIPTFHH-XMZIXOGTSA-N	307.340	3.443	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCc3ccccc3OC2)c1	800987147	QUTLMRDAVWQYHE-DZGCQCFKSA-N	313.397	3.445	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCSC2)cc1	810164501	ILPZDTWNVDHZLD-OAHLLOKOSA-N	306.475	3.292	10	20	DGCD	
CC(C)[C@@H](N)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	817958105	HPZIUCQUSHYZHD-PBHICJAKSA-N	307.457	3.450	10	20	DGCD	
COc1cccc(CNC(=O)Cc2cccc(Cl)c2F)c1O	810328671	XSTIXYJOVMHPLI-UHFFFAOYSA-N	323.751	3.052	10	20	DGCD	
CC[C@@H](NC[C@@H](N)C(C)C)c1cc(Br)ccc1O	817957363	BESQYXXRPJHMBM-CHWSQXEVSA-N	315.255	3.179	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CCc2ccon2)cc1	819974128	IJCBITFKJDZDIZ-UHFFFAOYSA-N	315.417	3.112	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@](CO)(C(C)C)C2)c(O)c1	816662772	YEWHVRZLMVKERX-GOSISDBHSA-N	307.434	3.021	10	20	DGCD	
OC1(c2ccccc2)CN(Cc2ccc(N3CCCCC3)cc2)C1	811509268	STNHEMXWGVQESN-UHFFFAOYSA-N	322.452	3.380	10	20	DGCD	
CC[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cn1	817942771	QVVXXSMQQGPEQI-DLBZAZTESA-N	316.424	3.027	10	20	DGCD	
CC[C@@H](NCc1ccc(Br)cc1O)[C@H](O)C(C)C	826120790	JBZRNFZTCFQHOT-TZMCWYRMSA-N	316.239	3.040	10	20	DGCD	
O=C(CSC(F)F)NCc1ccc(N2CCCCC2)cc1	822819667	XRKDQKRSEVXXBG-UHFFFAOYSA-N	314.401	3.249	10	20	DGCD	
CN(C)CCOc1ccc(NCc2cc(F)ccc2O)cc1F	839189119	ADPFGXMMRDRBMX-UHFFFAOYSA-N	322.355	3.223	10	20	DGCD	
Cc1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)nc1C	839163654	JFYUMKTZRHXBBG-UHFFFAOYSA-N	321.764	3.255	10	20	DGCD	
CC(C)(CC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	837586604	DMPUJAKQPXAJJN-XBXARRHUSA-N	318.369	3.050	10	20	DGCD	
Oc1cc2c(cc1CNc1ccc(OCC(F)F)cc1)OCO2	748238468	KXCLUFHOFHYWMU-UHFFFAOYSA-N	323.295	3.377	10	20	DGCD	
Cc1cccc2c1N(C1CC1)CCN2C(=O)Cc1ccc(N)cc1	843495907	XGYTXLKSXWEGLU-UHFFFAOYSA-N	321.424	3.135	10	20	DGCD	
CC(C)Oc1ncccc1C(=O)NCc1cc(Cl)ccc1O	846477669	UXLZFHMZSHPTNE-UHFFFAOYSA-N	320.776	3.158	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1F	747530558	PZEKUTKSJODFLJ-UHFFFAOYSA-N	317.364	3.432	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)/C=C/C2CCCCC2)cc1	843296906	COPOXDPIYWTRIJ-INMULRNOSA-N	315.461	3.005	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)C(C)(C)CN2CCCC2)c1O	842171568	OAGNBWIWVYTJLH-UHFFFAOYSA-N	322.424	3.040	10	20	DGCD	
C[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1O	841746998	MNQQYBZKLHCJKC-JTQLQIEISA-N	314.813	3.221	10	20	DGCD	
CC1(C)CNCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	841072024	DUAXMEDAEJKGJI-LBPRGKRZSA-N	303.233	3.177	10	20	DGCD	
COc1cccc([C@@H](C)NCCOc2ccc(Cl)cn2)c1O	846152422	AUPOTLRKDDOQAG-LLVKDONJSA-N	322.792	3.179	10	20	DGCD	
CCc1cccc(CN2CCC[C@H](OCC(F)(F)F)C2)c1O	848882619	VZLCDWQNYNHVLU-AWEZNQCLSA-N	317.351	3.498	10	20	DGCD	
Nc1ccc(NC(=O)N(Cc2cccc(O)c2)CC2CC2)cc1	841300583	SJAQTBYICPBNKG-UHFFFAOYSA-N	311.385	3.419	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CN(C3CC3)C[C@H]2C)c2c(O)ccc(F)c21	756644441	AGGLJAWMJFRHEW-FIXIBIHLSA-N	304.409	3.152	10	20	DGCD	
CCOc1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)c(O)c1	922893834	JAQDLOBHCZYNOV-QGZVFWFLSA-N	303.406	3.011	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(CO)cc1	854373340	FERKBYSRZUBOGG-UHFFFAOYSA-N	313.397	3.327	10	20	DGCD	
CCC(C)(C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856211366	NOGYZEJGDDKPTO-UHFFFAOYSA-N	318.461	3.090	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(OC)ns1	857244847	ISPHFVGVLSIOMO-UHFFFAOYSA-N	320.414	3.300	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC2CCC(F)(F)CC2)c1	756783696	HMYFJHGZJUWGBV-JTQLQIEISA-N	313.344	3.407	10	20	DGCD	
Cc1cccnc1CCCNC(=O)N[C@H](C)c1ccccc1O	868670060	CBBXVIMGSRWHKY-CQSZACIVSA-N	313.401	3.089	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@](C)(C1CC1)C(F)(F)F	933595641	TZFBBSYQCHOQDN-AWEZNQCLSA-N	316.323	3.265	10	20	DGCD	
CCOC(CN(Cc1ccc(N(C)C)cc1)C1CC1)OCC	767757687	AHURRFIEUNRGNO-UHFFFAOYSA-N	306.450	3.116	10	20	DGCD	
CCOc1cncc(NCc2ccc(N3CCCCC3)cc2)n1	767806606	HBFHDLZSMYPRRF-UHFFFAOYSA-N	312.417	3.478	10	20	DGCD	
Cc1cc(-c2nnc([C@@H]3CCC(=O)N3)o2)c(C)n1-c1ccccc1	1117178838	MLDKCLVOLYVYJP-HNNXBMFYSA-N	322.368	3.095	10	20	DGCD	
Cc1ccc(CN[C@@H](C)[C@H]2CCCN(C3CCC3)C2)c(O)c1	877190149	XIOSAQSYPRZERD-RDJZCZTQSA-N	302.462	3.443	10	20	DGCD	
C[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(N(C)C)cc1	775407045	QWVTYTCKPJWHSR-JTQLQIEISA-N	320.339	3.227	10	20	DGCD	
C[C@H](NCC(=O)c1ccccc1F)c1ccc(N(C)C)cc1	878454865	JTGJSBCBYAYCHR-ZDUSSCGKSA-N	300.377	3.425	10	20	DGCD	
Cc1ccc(SCCC(=O)NCc2ccc(O)c(O)c2)cc1	778927588	PQTCYAJDLBMWKW-UHFFFAOYSA-N	317.410	3.205	10	20	DGCD	
C[C@@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)c1ccccc1O	878472616	RYOZFEXHCDLEAD-LLVKDONJSA-N	314.389	3.362	10	20	DGCD	
C[C@H](NC(=O)NOCc1ccccc1)c1ccc(N(C)C)cc1	773136882	BPZAZXVIKRAJAB-AWEZNQCLSA-N	313.401	3.245	10	20	DGCD	
CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cc(C)ccc1C	775807669	UYKOJTZGFRHFFG-CMDGGOBGSA-N	311.385	3.168	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(C(C)=O)o1	772374701	BOEUUHDHVFCJGG-UHFFFAOYSA-N	301.342	3.240	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)C2CCCCC2)c1O	775022888	HMOFQOFRJGGCPY-NSHDSACASA-N	308.378	3.367	10	20	DGCD	
C[C@@H](NCCCCCCCO)c1ccc(N2CCOCC2)cc1	775262353	ZYDOTYCHLOCJEX-QGZVFWFLSA-N	320.477	3.117	10	20	DGCD	
COc1cccc(CNCc2oc3ccccc3c2OC)c1O	788971004	ZRNKGBUOGZRPJO-UHFFFAOYSA-N	313.353	3.445	10	20	DGCD	
COc1ccc(CCN[C@H](C)c2ccccc2O)c(OC)c1	783508464	KTVRFFIADDDSFE-CYBMUJFWSA-N	301.386	3.303	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3CC(C)(C)C3)cc2)CC1	788989421	SCVUBKXXSNELEL-UHFFFAOYSA-N	315.461	3.474	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)[C@@H]3CCCOC3)CC2)cc1	780726147	XDWHOAOAQYPEMZ-HZPDHXFCSA-N	318.461	3.069	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@H](C)NC(=O)C(C)C)cc1C	1133764574	JBYJKMMXPQVDFZ-GJZGRUSLSA-N	306.450	3.033	10	20	DGCD	
COC1([C@H](C)N[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)CCOCC1	1325792897	HWWVGWDDEHAWFJ-ILXRZTDVSA-N	319.445	3.423	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCS[C@@H](C)[C@@H]1C	1263010823	JIPBPNTZPALOBK-UWVGGRQHSA-N	324.475	3.062	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cn(CCC)nc1C	1262613463	GVUVNPZHSJKYGM-UHFFFAOYSA-N	315.417	3.360	10	20	DGCD	
O=C(O)[C@]1(F)CCN(Cc2cc(-c3ccccc3)ccc2O)C1	1608575688	NEIBQHBRKPQLTD-SFHVURJKSA-N	315.344	3.058	10	20	DGCD	
Cc1ccc2c(c1C(=O)O)N(C(=O)/C=C/c1cccnc1)CCC2	1607829135	LNKJJDAIACUBBX-VQHVLOKHSA-N	322.364	3.081	10	20	DGCD	
CC[C@H](NCc1cccc(-c2nn[nH]n2)c1)c1ccc(C)cc1O	1609194789	NXRWMIWIRKHVKF-INIZCTEOSA-N	323.400	3.122	10	20	DGCD	
Cc1cc(C(=O)O)ccc1[C@@H](C)NCc1ccc2c(c1)CCO2	1600116862	MZCWYKHKQSKNNA-CYBMUJFWSA-N	311.381	3.479	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CN)C2CCCC2)cc1F	1577699754	XAAWBVWGGOZCQD-QGZVFWFLSA-N	307.457	3.279	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2c[nH]c(C(=O)O)c2)cc1	1574499941	RJBNOFOKYWPHRD-UHFFFAOYSA-N	315.417	3.191	10	20	DGCD	
C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1cc(C(=O)O)ccc1O	1593208269	AJEINNILGBRSTQ-PIGZYNQJSA-N	312.369	3.287	10	20	DGCD	
C[C@H](N[C@H](c1cccnc1)C1CC1)c1cc(C(=O)O)ccc1O	1593208267	AJEINNILGBRSTQ-GTNSWQLSSA-N	312.369	3.287	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@]2(C(=O)O)CCC[C@H]2C)cc1F	1776861227	RSAGMQGKESDSND-ACJLOTCBSA-N	322.424	3.405	10	20	DGCD	
CCN1CCCc2cc(CNCCCC(C)(C)C(=O)O)ccc21	1776875602	VANPLFGFIQLNQC-UHFFFAOYSA-N	318.461	3.440	10	20	DGCD	
COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1F	8117852	VZXFBINQEIEZNE-UVTDQMKNSA-N	320.389	3.291	10	20	DGCD	
C[C@@H](NCCC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1	164964485	HJVNWVRJQHKTRN-OAHLLOKOSA-N	311.429	3.432	10	20	DGCD	
CC[C@](C)(CNCc1cc(Br)ccc1O)OC	322751188	CFKOMGMRXQJRDU-CYBMUJFWSA-N	302.212	3.059	10	20	DGCD	
C[C@@H]1O[C@H](C)C[C@@H]1CNCc1c(O)cccc1Br	686508365	OPWAZFXGPXZZOC-OUAUKWLOSA-N	314.223	3.058	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1noc2ccccc12	61443383	NREPJQKLYPCKEF-UHFFFAOYSA-N	323.396	3.095	10	20	DGCD	
CC[C@H](SC)C(=O)NCc1ccc(N(CC)CC)c(F)c1	130275689	UWKUAJLQXHIKLI-HNNXBMFYSA-N	312.454	3.430	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C#N)cc2F)cc1OC	140317672	WDNZKLYBRQLKNV-UHFFFAOYSA-N	300.333	3.351	10	20	DGCD	
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCc2ccccc2O)C1	163469901	BDHGJMAOXXKTBW-GJZGRUSLSA-N	320.433	3.318	10	20	DGCD	
C[C@@H](CC(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1	165197950	PROUBZSFFBNMOQ-NSHDSACASA-N	320.330	3.093	10	20	DGCD	
CC[C@@H](N[C@@H](C)CN(C)C)c1cc(Br)ccc1O	168599021	XVRCAPRAPQONBH-GXFFZTMASA-N	315.255	3.146	10	20	DGCD	
COc1cc(O)c(CN2CCc3sccc3C2)cc1OC	179476087	KFZJDMZPJMZXFT-UHFFFAOYSA-N	305.399	3.029	10	20	DGCD	
C[C@@H](N[C@H]1CCC[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1	181063635	TWKLSUQHWPOYKN-SKDZVZGDSA-N	306.425	3.380	10	20	DGCD	
C[C@H](NCc1ccc(N2CCOC2=O)cc1)c1ccccc1O	183732162	UGNMDSAHXDJNST-ZDUSSCGKSA-N	312.369	3.200	10	20	DGCD	
C[C@H](NCCCNC(=O)C1CCC1)c1cc(Cl)ccc1O	186091503	QKYKUFKIIDYWTH-NSHDSACASA-N	310.825	3.003	10	20	DGCD	
C[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccc(F)cc1O	186094689	YBUVGPXLCIWQDP-FIKIJFGZSA-N	307.390	3.120	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(Oc3ccc(F)nc3)CC2)c1	191675336	TZKHRXFXACTQNP-UHFFFAOYSA-N	316.376	3.278	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H](C)O1	245559171	LJWNGPQPPDATNA-MFKMUULPSA-N	314.223	3.154	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1	247247999	YCQVJQZHXWGCFM-ZOBUZTSGSA-N	301.478	3.419	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccccc1O)c1nc(C)cs1	264248449	BBULNERGWWIJNM-LBPRGKRZSA-N	305.403	3.108	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCO[C@H](C)C2)cc1	271321006	YRPOXUKYSRUIMB-NVXWUHKLSA-N	312.413	3.391	10	20	DGCD	
CCOCCC1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	273506572	QZODGHUXOHQCFR-LBPRGKRZSA-N	308.378	3.158	10	20	DGCD	
CC[C@H](NC[C@]1(N(C)C)CCSC1)c1ccc(C)cc1O	280073918	LDXBCKSDMBKQJT-DOTOQJQBSA-N	308.491	3.179	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@H]2CCN(c3ccccc3F)C2)c1	291027638	IGTVAKHCFKHLHO-HNNXBMFYSA-N	314.404	3.456	10	20	DGCD	
COC(=O)c1cnc(SCCCC2CCOCC2)s1	295355127	RCZJVCANKBTNEQ-UHFFFAOYSA-N	301.433	3.229	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC2C[C@@H]3CC[C@H](C2)N3C)cc1	296048939	UZKALJKLAVBEEU-NMACRGETSA-N	301.478	3.419	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@](O)(C3CC3)C2)cc1	368473016	CMLDMLLOASVBSK-HXUWFJFHSA-N	324.424	3.081	10	20	DGCD	
C[C@H](NCC12CC(CO1)C2)c1cccc(C(F)(F)F)c1O	527980218	MVPJVBMGHXGPOV-IPWFMCSPSA-N	301.308	3.241	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)c(F)cc1F	588404176	YPYIJUKZOISYLA-RQOWECAXSA-N	309.243	3.167	10	20	DGCD	
CC(C)[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588407974	JLFMGQYSXCUCJM-DDJMYBDESA-N	303.402	3.396	10	20	DGCD	
CN(C)C(=O)c1cccc(CNCc2cc(Cl)ccc2O)c1	725844216	LDOZEHOJUKMFLG-UHFFFAOYSA-N	318.804	3.037	10	20	DGCD	
CCCCCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726612007	ZYXRJMZMGDYPML-UHFFFAOYSA-N	319.449	3.153	10	20	DGCD	
CCCN(Cc1cc(C(=O)O)c(C)o1)Cc1ccccc1O	737019671	IINIPRHXTHBCPC-UHFFFAOYSA-N	303.358	3.404	10	20	DGCD	
CCN(CC(=O)NCC1CCCCC1)c1ccc(OC)cc1	746109689	UCOBVQDDKTWYPS-UHFFFAOYSA-N	304.434	3.218	10	20	DGCD	
C[C@H](NCc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1O	756494001	CMMGJUWSWJLEKW-VIFPVBQESA-N	308.284	3.429	10	20	DGCD	
COc1ccc(CNC(=S)Nc2cccc(C)c2C)nc1	766511868	CUIFCMRSKDIKFJ-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O	770506247	OMWZKGZKEGJWCF-STQMWFEESA-N	309.431	3.200	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1O	774377334	FZXDNWQJEAUJRY-RISCZKNCSA-N	310.388	3.338	10	20	DGCD	
O=C(NC1(c2ccc(F)cc2F)CCC1)c1cccc(O)c1O	776358049	XVVPWOWSYZYDIJ-UHFFFAOYSA-N	319.307	3.185	10	20	DGCD	
OC1(C(F)F)CCN(Cc2ccc(N3CCCCC3)cc2)CC1	779208447	JMDHEHJHULBLFU-UHFFFAOYSA-N	324.415	3.269	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N(CC(F)(F)F)c1ccccn1	783928935	UXSBFTAORVTUNI-WAYWQWQTSA-N	321.302	3.394	10	20	DGCD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCc1c(O)ccc(Cl)c1F	790973481	PEYKDIDUACQPFB-ZWZTZDBGSA-N	313.800	3.478	10	20	DGCD	
c1ccc(CN2CCc3cc(CN[C@@H]4CCOC4)ccc32)cc1	796338230	JIPGHBGATKOKGE-LJQANCHMSA-N	308.425	3.128	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC2(CCCC2)O1	801524951	BZZDJYNUAWWGJX-INIZCTEOSA-N	316.445	3.443	10	20	DGCD	
CN(Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC(O)C1	809639707	OSZPXAXBHOSOJA-UHFFFAOYSA-N	322.452	3.204	10	20	DGCD	
CN(C)CCN(Cc1cccc(F)c1)Cc1ccccc1O	809738288	WFUQMSUIEPUHIP-UHFFFAOYSA-N	302.393	3.095	10	20	DGCD	
CC(C)c1n[nH]c(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)n1	834871154	MBBOYADVMIVEOT-ONGXEEELSA-N	304.369	3.111	10	20	DGCD	
COc1ccc(CNC(=O)Nc2scnc2C(C)C)c(O)c1	836743109	PMGBIDIJWBEGRQ-UHFFFAOYSA-N	321.402	3.302	10	20	DGCD	
COC1([C@@H](C)NCc2cc(Br)ccc2O)CCC1	840970891	ZIDHWVVUQOPQGQ-SNVBAGLBSA-N	314.223	3.202	10	20	DGCD	
COCC[C@@H](Cc1cccc(F)c1)NCCc1ccc(N)cc1	841035896	PYEWFEJRXDJWCE-IBGZPJMESA-N	316.420	3.188	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(CN)cc1)c1ccc(N(C)C)cc1	841322001	FQFMOLSWYQWFMX-ZDUSSCGKSA-N	312.417	3.094	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCS[C@@H](c2ccccc2)C1	846660178	DMHGJBHBUUYJMZ-CQSZACIVSA-N	305.424	3.384	10	20	DGCD	
CC[C@@H](NCC(C)(C)[C@@]1(O)CCCOC1)c1ccc(C)cc1O	850563384	XCJPOEAHLOGZEP-VQIMIIECSA-N	321.461	3.309	10	20	DGCD	
CCC[C@@H](CN[C@H](C)c1cc(C(=O)OC)ccc1O)OCC	858450692	HOISJGDTOXDDGY-OCCSQVGLSA-N	309.406	3.035	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(N(C)C)cc1	858478898	DQAFGZJNIUFDBY-BBRMVZONSA-N	311.420	3.133	10	20	DGCD	
C[C@H]1C[C@@H]1c1nnc(NCc2cc(F)c(N(C)C)cc2F)o1	865294854	VBPUDCGHOAVDMM-WPRPVWTQSA-N	308.332	3.149	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC[C@H](CC(C)C)OC)C2)cc1	877598004	FZRBJYIDEDKQPC-LPHOPBHVSA-N	320.477	3.172	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCc1ccc2c(n1)CCCC2	883104862	OWKUPDJCRSGLJJ-UHFFFAOYSA-N	304.340	3.234	10	20	DGCD	
COc1ccc(CN2CCCc3sccc3C2)c(O)c1OC	892005513	WJYFAZSBOLJARK-UHFFFAOYSA-N	319.426	3.419	10	20	DGCD	
CCOc1cccc(CNCC(C)(C)C2CCOCC2)c1O	897451072	JISKKVCGPGTEIC-UHFFFAOYSA-N	307.434	3.333	10	20	DGCD	
Cc1ccccc1OCC(=O)N(C)Cc1ccc(N(C)C)cc1	917524532	NVDJNOUKVUBXTI-UHFFFAOYSA-N	312.413	3.098	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC(C)(C)c2ccccc2)cc1	921200387	YBMGFWQXHDHIIV-UHFFFAOYSA-N	311.429	3.487	10	20	DGCD	
Cc1cc(CN[C@H]2C[C@H](C)n3ncnc32)c(C)n1-c1ccccc1	926765517	WXCBZVQBQDFYBW-KSSFIOAISA-N	321.428	3.481	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@@H]2OCCC[C@@H]2C1	1116443588	BPCWNSHOLWYHJX-MJGOQNOKSA-N	300.446	3.288	10	20	DGCD	
CC(C)(C)c1cc(C(=O)Nc2c(Cl)ccc3nonc23)no1	1117547926	NUMIBNRCYTZDAO-UHFFFAOYSA-N	320.736	3.414	10	20	DGCD	
CC1(C)C[C@@]1(C(=O)NCc1cccc(O)c1O)c1ccccc1	1263896218	RZHBOGZILXWNNT-IBGZPJMESA-N	311.381	3.082	10	20	DGCD	
Cn1ccnc1C[C@H]1CCCN(Cc2c(O)cccc2Cl)C1	1319947492	UEDXUDOUTXWNFG-CYBMUJFWSA-N	319.836	3.234	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(C)n(C)c1=O	1321348816	SUNDKZCVQVMJIM-IUODEOHRSA-N	312.413	3.046	10	20	DGCD	
COc1cc(C)c(CNC[C@@H](C(=O)O)C2CCCCC2)c(O)c1	1599391230	MKZXTNAAFLRHBZ-MRXNPFEDSA-N	321.417	3.080	10	20	DGCD	
CC(C)C[C@@H](CC(=O)O)NCc1c(O)ccc(Cl)c1F	1776335396	WGDZRZLIENKXML-VIFPVBQESA-N	303.761	3.164	10	20	DGCD	
CCCc1cccc(CN(C)c2ccc(OCC(=O)O)cc2)n1	1776835707	AYWBAAHDJXDNOG-UHFFFAOYSA-N	314.385	3.134	10	20	DGCD	
COc1ccc(NC(=O)[C@H](C)Sc2nccs2)cc1OC	52914149	JJRLHHDVDJEPNG-VIFPVBQESA-N	324.427	3.280	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@H]1C	105312008	NCGDORPOSKARNB-PBHICJAKSA-N	303.450	3.473	10	20	DGCD	
Cc1cccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1O	179718734	IWVPWXDWBPHROD-QGZVFWFLSA-N	301.361	3.413	10	20	DGCD	
CCc1ccsc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183467480	GROHDAGDOIPWDC-SNVBAGLBSA-N	305.399	3.083	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccs1	124748981	SWTZAKVMBCQNEI-UHFFFAOYSA-N	313.426	3.124	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@H](C)c2cc(C)ccc2O)c1	185177262	NNPMCMSCINWFKU-CQSZACIVSA-N	312.413	3.301	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C3(C)CCCC3)CC2)cc1	79180398	IADDWDWOUVOGPL-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
COc1ccc2cc(CNC(=O)c3cccc(O)c3O)ccc2c1	186829849	TYVODSGDZNBVFY-UHFFFAOYSA-N	323.348	3.190	10	20	DGCD	
Oc1ccccc1CN(C[C@@H]1CCC=CO1)C[C@@H]1CCCO1	193605386	AENZKKSRNXWOJH-IRXDYDNUSA-N	303.402	3.066	10	20	DGCD	
CO[C@@H](C)CCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	272916333	PEQFJSDRLHBQKI-ZDUSSCGKSA-N	324.384	3.150	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCCS1	272933616	KUGMRIFQZNWMGI-INIZCTEOSA-N	305.443	3.173	10	20	DGCD	
C[C@@H]1CCN(C(=O)/C=C/c2cncs2)c2c(O)cccc21	282480230	WUGONQKMYOEDRX-MVIFTORASA-N	300.383	3.402	10	20	DGCD	
CC[C@@H](NCCc1cn2c(n1)SCC2)c1ccc(C)cc1O	280083114	LWBLCKUDWDKLOD-OAHLLOKOSA-N	317.458	3.286	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCCOC3CCC3)sc2n1	805368304	DHSZRSRWRZYBNX-UHFFFAOYSA-N	320.414	3.221	10	20	DGCD	
Cc1cc(CN2CCc3ccc(O)cc3CC2)ccc1N(C)C	815068460	QRCKIVMDZITADT-UHFFFAOYSA-N	310.441	3.367	10	20	DGCD	
CCOC(=O)[C@H]1CCCN(Cc2ccc3ccccc3c2O)C1	816477886	NCVOJOUTVPHDMC-INIZCTEOSA-N	313.397	3.321	10	20	DGCD	
C[C@H]1C[C@@H](N2CCCC2)CN1Cc1cc(Cl)c(F)cc1O	816608640	FPDHZYCWPNUNEN-WCQYABFASA-N	312.816	3.243	10	20	DGCD	
OCCN(Cc1cc(Cl)c(F)cc1O)C1CCCCC1	816477999	QQPLQOJABKGYMV-UHFFFAOYSA-N	301.789	3.312	10	20	DGCD	
Cc1noc([C@H]2CCCN(Cc3cc(Cl)c(C)cc3O)C2)n1	824593972	WKPLFHUXICDAEC-LBPRGKRZSA-N	321.808	3.425	10	20	DGCD	
CCN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1OC	491508557	XUQOUVKTAOWHTA-CMDGGOBGSA-N	300.333	3.296	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H]3[C@@H](CCCN3C)C2)cc1Cl	824933043	ATLPQPPEKUDHKR-XJKSGUPXSA-N	308.853	3.270	10	20	DGCD	
CCSc1ccc(C(=O)N[C@H](C)c2ccccc2O)cn1	827930124	BYZBNJCRTIJSBR-LLVKDONJSA-N	302.399	3.390	10	20	DGCD	
Cc1cc(NCc2cc3c(cc2O)OCO3)ccc1CN(C)C	839188208	DPTJEDADYFPHGL-UHFFFAOYSA-N	314.385	3.103	10	20	DGCD	
CN1CCC[C@@H](CCNCc2ccc(N3CCCCC3)cc2)C1	839182836	QCOJWVQIEADDDX-IBGZPJMESA-N	315.505	3.498	10	20	DGCD	
Nc1ccc(CCNC(=O)NCCc2ccc(Cl)s2)cc1	841714318	JBFBJMAYTIFXSC-UHFFFAOYSA-N	323.849	3.068	10	20	DGCD	
CCCN(C(=O)NCc1ccc2c(c1)CCCN2C)C(C)C	847303092	POULCZUILLOHNH-UHFFFAOYSA-N	303.450	3.399	10	20	DGCD	
CC[C@@H](C[C@H](C)CO)NCc1cc(Br)ccc1O	743499929	QFKWBOMXMYDLIJ-GWCFXTLKSA-N	316.239	3.041	10	20	DGCD	
CCN(CC)c1ccc(CNc2cccc3c2CCNC3=O)cc1	840973964	UCTGRLACTJELAJ-UHFFFAOYSA-N	323.440	3.431	10	20	DGCD	
CCCN1CCC(N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1	840894677	RWTVMYJUEQVJQD-KRWDZBQOSA-N	317.521	3.456	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2C[C@@H]2C)cc1	858486608	WWJMYQULQUUKCS-GUYCJALGSA-N	324.424	3.221	10	20	DGCD	
COc1cc(N(C)Cc2cncc(Cl)c2)cc(OC)c1OC	856726542	LBERQXUADUOXPG-UHFFFAOYSA-N	322.792	3.397	10	20	DGCD	
C[C@@H](NCc1cn2ccccc2n1)c1cc(F)cc(F)c1O	756362157	IXLUGNBZZYUINA-SNVBAGLBSA-N	303.312	3.169	10	20	DGCD	
C[C@@H](N[C@@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1O	927060336	ABXLOVQLQHPAQQ-IAQYHMDHSA-N	313.357	3.424	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)CN2CCC(C)CC2)c1	850543126	FRMAMQOPZXEFLN-HUUCEWRRSA-N	306.450	3.172	10	20	DGCD	
C[C@H](NC[C@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1O	853241016	RRVLWYWWCOLOOO-DZGCQCFKSA-N	306.425	3.304	10	20	DGCD	
COCc1ccccc1CNCc1cc(F)c(N(C)C)cc1F	858091338	QHIRFOKUOKAICR-UHFFFAOYSA-N	320.383	3.467	10	20	DGCD	
c1cnc2c(c1)[C@H](NCc1ccc(N3CCOCC3)cc1)CCC2	866241173	XTWGVLWDVMRLGT-HXUWFJFHSA-N	323.440	3.085	10	20	DGCD	
CCn1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cn1	863166140	UUKVBXINTJWGDF-UHFFFAOYSA-N	322.412	3.241	10	20	DGCD	
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(O)cs1	765863899	BUVUNSUOOIBQBH-TZMCWYRMSA-N	303.383	3.104	10	20	DGCD	
C[C@H](CN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21)CC1(C)OCCO1	866426269	XIUMRJLXNNQFQZ-OUCADQQQSA-N	323.408	3.458	10	20	DGCD	
COc1cc(Br)cc(CN2CC=C(C)CC2)c1O	769447637	UPKUMGURXAJBNJ-UHFFFAOYSA-N	312.207	3.315	10	20	DGCD	
Cc1ccc(CN2CCC(C(=O)C(F)(F)F)CC2)c(O)c1	877420105	MFMAHNRIVNTGMY-UHFFFAOYSA-N	301.308	3.044	10	20	DGCD	
COc1ccc(CN[C@H](C)CCSC)cc1Cn1cccn1	873055290	FSZJNSSJEDHQAP-CQSZACIVSA-N	319.474	3.171	10	20	DGCD	
Cc1cccnc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773627624	PLEFHMBGZZKMPU-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
CC[C@H](C)CCCCC(=O)OCC(=O)c1ccc(O)c(O)c1	784675395	IRCUJRIPFAOUKQ-LBPRGKRZSA-N	308.374	3.430	10	20	DGCD	
CCc1cnccc1[C@H](C)NCc1ccc(OC)c(OC)c1O	893291570	NNVVYHPJQLDYNK-LBPRGKRZSA-N	316.401	3.218	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccc(O)n1	897392865	QRKAIXNLDCOBKV-UHFFFAOYSA-N	311.429	3.410	10	20	DGCD	
COc1cc(C)cc(CN2CCCN2C(=O)OC(C)(C)C)c1O	894687718	SFUMRUHYEONNSO-UHFFFAOYSA-N	322.405	3.067	10	20	DGCD	
COc1ccc(N2CCCN(C[C@H](O)CCC(C)C)CC2)cc1	795523198	BMJDBKCYYWUOHN-GOSISDBHSA-N	320.477	3.004	10	20	DGCD	
COc1ccc(O)c(CNCc2c(F)cc(F)c(F)c2F)c1	797605513	SARJQTORJPISAE-UHFFFAOYSA-N	315.266	3.247	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C)CC2)c(O)c1	793171116	MNGQZEQMBMACEI-GXTWGEPZSA-N	306.406	3.169	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ncnn1-c1ccccc1	799111473	DUIJDYHVYYHZAZ-UHFFFAOYSA-N	320.396	3.229	10	20	DGCD	
Cc1c([C@@H](C)NCc2ccc(Br)cc2O)cnn1C	701025662	IFNWPJXDEQCJAV-SECBINFHSA-N	324.222	3.047	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ncoc2C(C)C)cc1	1326707034	IZQYWOVAJCZPMJ-UHFFFAOYSA-N	317.433	3.375	10	20	DGCD	
CCc1cccc(CN[C@@](C)(C(=O)O)c2ccc(F)cc2)c1O	1605828803	NLNHKDOKKMSYAH-GOSISDBHSA-N	317.360	3.183	10	20	DGCD	
O=C(O)c1cc(CN(Cc2ccccc2O)C2CCCC2)on1	1608841120	AXTMBQKVICIZDR-UHFFFAOYSA-N	316.357	3.023	10	20	DGCD	
Nc1ccc(CNc2cc(Cl)nc([C@H]3CCCO3)n2)cc1	1580447124	QNDFZYBZOCGRNH-GFCCVEGCSA-N	304.781	3.176	10	20	DGCD	
C[C@H](NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1cc(C(=O)O)ccc1O	1593251727	KSFDAOGGPFAFCW-OBPDSEFTSA-N	323.392	3.327	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@H](CC(=O)O)C1)c1ccc(N(C)C)cc1	1595317078	MNAGLQXAOIELEE-LXZKKBNFSA-N	304.434	3.437	10	20	DGCD	
O=C(O)[C@@H](CC1CCCC1)NCc1ccc2c(c1)CCCO2	1777572942	PTVPPMLAQCIOPI-MRXNPFEDSA-N	303.402	3.135	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2c(F)cccc2F)cc1F	58604668	JLPZFYIJVLXVNO-UHFFFAOYSA-N	323.318	3.492	10	20	DGCD	
CC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	91919397	FHCPYMMJZCKLPY-OAHLLOKOSA-N	306.425	3.284	10	20	DGCD	
COc1ccccc1[C@H]1CCN(Cc2cccc(OC)c2O)C1	93593472	CXBXINZTFHAWSR-AWEZNQCLSA-N	313.397	3.399	10	20	DGCD	
O=C(CN1CC[C@@H](O)C1)Nc1ccc(/N=N/c2ccccc2)cc1	114485915	ZDFACFZCRYLBCH-SGRLSNSRSA-N	324.384	3.107	10	20	DGCD	
COc1ccc(N2CCC(NC3C[C@H](C)O[C@@H](C)C3)CC2)cc1	119435004	UCIAODUGTNJMJZ-GJZGRUSLSA-N	318.461	3.210	10	20	DGCD	
Cc1cc(O)c(CN2CCNC(=O)C[C@H]2c2ccccc2)cc1C	122031489	CIGUSYWBRCSWEZ-SFHVURJKSA-N	324.424	3.072	10	20	DGCD	
CSC[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1	151033116	GBHMJMCDIFIPHM-QWHCGFSZSA-N	312.454	3.064	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1	170264801	NPIFJJMDURIVEW-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
Cc1ccc(O)c(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1	179473026	ORTCBLABWQXAEE-HNNXBMFYSA-N	320.433	3.142	10	20	DGCD	
CC[C@@H](CSC)NC(=O)NCCCSc1nccs1	179593829	RFZJEMHXWLTNEN-JTQLQIEISA-N	319.521	3.066	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1nc(C(C)(C)C)cs1	187077721	TXFZVVPOIRIYFC-SECBINFHSA-N	320.414	3.343	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(OC)c(OC)c2)c1	192915739	GPVSWCFIUBZTAX-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
Cc1cccc(CN[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1O	224867814	NTLBPRHERMDDCV-OAHLLOKOSA-N	320.433	3.094	10	20	DGCD	
CCc1cccnc1C(=O)N(CC)Cc1ccc(N(C)C)cc1	271133870	SVUXWCOHRFFPSO-UHFFFAOYSA-N	311.429	3.372	10	20	DGCD	
CC(C)[C@@H]1C[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCO1	273546805	ZODGCKSHKKJVGY-OZVIIMIRSA-N	308.378	3.155	10	20	DGCD	
CCCOc1ccc(CNCCCCCC(=O)OC)c(O)c1	289147315	AVJIRYVYTAOZHQ-UHFFFAOYSA-N	309.406	3.004	10	20	DGCD	
O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1O	319141004	FXSYKZJYEKKPGD-UHFFFAOYSA-N	309.287	3.270	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cc(Br)ccc2O)CS1	397924536	JIRFADWGGOSVKI-GZMMTYOYSA-N	302.237	3.138	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@@H](C)O1	708351421	XQCQPQMPBCZSGM-ZWNOBZJWSA-N	314.223	3.154	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2csc(C(C)(C)C)n2)c1	734016178	DXGXTIGBWDBZOW-UHFFFAOYSA-N	320.414	3.085	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)OCCCF)ccc21	741443829	IWDFNDFVTOWWRD-UHFFFAOYSA-N	307.365	3.421	10	20	DGCD	
Cc1cnc(CNC(=O)c2sccc2-n2c(C)ccc2C)o1	748377891	FNWUHMAVDMWKBC-UHFFFAOYSA-N	315.398	3.382	10	20	DGCD	
C[Si](C)(C)COC(=O)c1csc(Cc2ccc(N)cc2)n1	751930616	IFYYNBIMLUUNKQ-UHFFFAOYSA-N	320.490	3.350	10	20	DGCD	
Cc1ccc(OCCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	756371469	JYICLYUJLLZTTJ-CYBMUJFWSA-N	316.357	3.338	10	20	DGCD	
COC[C@@H](N[C@@H](C)c1cc(Br)ccc1O)C(C)C	756596920	ILYJRTJVICHDGC-GXFFZTMASA-N	316.239	3.476	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](O)c2c(F)cccc2F)c(O)c1	756742135	ZJMHBJHTSLYUFN-ZBEGNZNMSA-N	307.340	3.363	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@@H](C)c1ccc(F)cc1O	757658162	WQDBAWLFGGJICN-JSGCOSHPSA-N	307.365	3.423	10	20	DGCD	
Cc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)nn1C	768158243	QLCDHBLGHASYLM-UHFFFAOYSA-N	300.450	3.205	10	20	DGCD	
Cc1cccc(CN2CCN(CCc3cccs3)CC2)c1O	775651890	RZVVSMURNLLHFO-UHFFFAOYSA-N	316.470	3.122	10	20	DGCD	
O=C1[C@H](NCc2cccc(Cl)c2O)CCN1C1CCCCC1	776253899	WQAJNRTYKKHOFN-OAHLLOKOSA-N	322.836	3.069	10	20	DGCD	
CC(C)Oc1ccccc1[C@H](C)NC(=O)c1cccc(O)c1O	790538231	FMFXVARYWHSPGE-LBPRGKRZSA-N	315.369	3.376	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H](C)S1=O	792192307	MBUJABVNUTVUQW-IUCAKERBSA-N	322.257	3.040	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCSC2)c(C(F)(F)F)c1	793002546	AKPFTGVAUDPQDJ-LLVKDONJSA-N	304.381	3.367	10	20	DGCD	
COc1ccc(CNC(=O)Cc2cccc(C(F)F)c2)c(O)c1	794373162	HZGXKIJDXSKAAH-UHFFFAOYSA-N	321.323	3.197	10	20	DGCD	
CC[C@@H](NC[C@](C)(O)COC)c1cc(Cl)cc(Cl)c1O	806139056	HTWGBWWTICEVMG-OCCSQVGLSA-N	322.232	3.137	10	20	DGCD	
COc1cc([N+](=O)[O-])ccc1COc1ccc(N(C)C)cc1	810002472	YDWZBVYLNWSEJJ-UHFFFAOYSA-N	302.330	3.248	10	20	DGCD	
CSC1(CN[C@@H](C)c2ccc(N(C)C)cc2)CCN(C)CC1	810253226	ONNRCWCSWZFCBD-HNNXBMFYSA-N	321.534	3.231	10	20	DGCD	
Cc1cccc2c1OC[C@@H](NCc1cccc(Cl)c1O)C2	811517922	DIHDIMXKBPGFSP-AWEZNQCLSA-N	303.789	3.447	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nc(C)oc2C)cc1	814259576	SEJTXOBHXOLVQC-UHFFFAOYSA-N	315.417	3.410	10	20	DGCD	
Cc1cc(CN(C)[C@H]2CCCc3c2cnn3C)ccc1N(C)C	815074245	NEQMWYOBLKLCNY-SFHVURJKSA-N	312.461	3.304	10	20	DGCD	
CCOC(=O)CCN(Cc1ccc2ccccc2c1O)C1CC1	816496886	BPLWJSNWHYJNAE-UHFFFAOYSA-N	313.397	3.463	10	20	DGCD	
Cc1cc(C(=O)NOCC2CC2)c(C)n1-c1ccc(F)cc1	817368011	OIAKLPIVJUXEOM-UHFFFAOYSA-N	302.349	3.305	10	20	DGCD	
COc1cc(Cl)cc(CNC2CCC(N(C)C)CC2)c1O	817416120	JTGAQQSGDABSOS-UHFFFAOYSA-N	312.841	3.017	10	20	DGCD	
C[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1(F)F	817603801	PWWSPXIYHYJTLA-NSHDSACASA-N	310.127	3.361	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)[C@@H](C)c2ccccc2)cc1F	828040676	LIYYBTKNCNUNFG-GUYCJALGSA-N	303.377	3.435	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCO[C@@H](c3nccn3C)C2)c1	834910827	FWPZDWZDWSXQTD-GRDNDAEWSA-N	315.417	3.005	10	20	DGCD	
C[C@H](CCc1ccccc1[N+](=O)[O-])NCCc1ccc(N)cc1	841033773	ATIOJBRYJDIEBT-CQSZACIVSA-N	313.401	3.330	10	20	DGCD	
C[C@@H](NCc1cnc2n1CCCC2)c1ccc(Cl)cc1O	841750676	ABDNZYKZXSYACC-LLVKDONJSA-N	305.809	3.429	10	20	DGCD	
CCS[C@H]1CCCCN(C(=O)NCCc2ccc(N)cc2)C1	841955044	UANGDMDQZMUHFD-INIZCTEOSA-N	321.490	3.129	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1O	842886591	SQBMXTRIQKZHOL-UONOGXRCSA-N	324.852	3.486	10	20	DGCD	
CC(C)O[C@H]1CCCN(Cc2c(O)ccc3ccncc23)C1	844716173	IJJMDGKNECWOBD-HNNXBMFYSA-N	300.402	3.330	10	20	DGCD	
COc1cccc([C@@H](C)NC2CC(C)(C)NC(C)(C)C2)c1O	846137379	ORNYAWQAKRKLLZ-GFCCVEGCSA-N	306.450	3.361	10	20	DGCD	
COc1ccccc1CCN[C@H](C)c1cccc(OC)c1O	846138300	VNNFLNFCOKWPPM-CYBMUJFWSA-N	301.386	3.303	10	20	DGCD	
CCc1cccc(CN(CCCOC)Cc2ccncc2)c1O	848909994	DHLTWGCWFBTUOD-UHFFFAOYSA-N	314.429	3.388	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCC(C)(C)[C@]2(O)CCCOC2)c(O)c1	850561028	HMUCOPNKYJXVOA-BEFAXECRSA-N	321.461	3.227	10	20	DGCD	
CCn1nccc1CN[C@H](C)c1ccc(Br)cc1O	853242010	YYKHZZNWYWMKET-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
CC(C)c1nocc1C(=O)NCc1ccc(N2CCCC2)cc1	858453300	UWDNTRSZJZTJLB-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
CCOc1cc(CNCc2c(C)cccc2O)ccc1OC	877036334	ODHOGCIEADLJDA-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
COCC1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	880593449	ZNKNSRFFVCCIAH-UHFFFAOYSA-N	312.413	3.121	10	20	DGCD	
CN(C)[C@@H](CNCc1cc(F)cc(F)c1O)c1ccccc1	882879852	PYFYTAWRMQWJJD-INIZCTEOSA-N	306.356	3.063	10	20	DGCD	
Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	890030256	BCPPXQHNMRHANX-LLVKDONJSA-N	317.458	3.246	10	20	DGCD	
CCOCc1nc(C)cc(N(C)Cc2ccc(N(C)C)cc2)n1	891566383	NNIVPGRFNBBGPK-UHFFFAOYSA-N	314.433	3.024	10	20	DGCD	
CN(C)c1ccc([C@H](CN[C@H]2CCc3cccnc32)N(C)C)cc1	898447959	NSTYPHIBJPUJMP-OALUTQOASA-N	324.472	3.027	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNCc3cnn(C)c3)c2C)c1	920181335	OGHPYHPUUYASHV-UHFFFAOYSA-N	308.429	3.426	10	20	DGCD	
CCN(Cc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1	1235948586	QLBCPLDUIRYSGB-HXUWFJFHSA-N	309.457	3.365	10	20	DGCD	
CN(Cc1ccc(N)cc1)Cc1nc(C(F)(F)F)cs1	1334775130	SIODSFHDRQZMRQ-UHFFFAOYSA-N	301.337	3.376	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2(C)CC2)cc1	1348210026	GOTVBRACWZDLMB-UHFFFAOYSA-N	310.397	3.118	10	20	DGCD	
C[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ncc(C(=O)O)s1	1593198722	UVHRBLDPVJEQPU-YUMQZZPRSA-N	310.350	3.098	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(CC(=O)O)ccn2)cc1	1596288645	WEUJDSHDSOYJHU-UHFFFAOYSA-N	313.401	3.167	10	20	DGCD	
Cc1occc1CN(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1608056685	QSDPMYVBVFNJRZ-GQCTYLIASA-N	316.313	3.230	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(C(=O)O)CCC[C@H]3C[C@@H]32)c(C)c1	1776856769	KJXDJWKQIFLXDU-UCLAIMLFSA-N	316.445	3.184	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H](C(=O)O)Cc3ccccc32)cc1	1777039390	SOVYJFZOSVOLJA-MRXNPFEDSA-N	310.397	3.016	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2ccccc2n1	53661768	ADFZTXLPSGSQFS-UHFFFAOYSA-N	322.412	3.063	10	20	DGCD	
C[C@H](NCc1ccsc1)c1ccc(N2CCOCC2)cc1	68478504	CCZSYXMKTHKQTM-AWEZNQCLSA-N	302.443	3.436	10	20	DGCD	
COc1cc2c(c(CN(C)Cc3ccccc3O)c1)O[C@H](C)C2	91956489	BYWVNSAPUAFCMB-CYBMUJFWSA-N	313.397	3.356	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CC(C)(C)Sc3ccccc32)cn1	120706281	SHKFWINWJSYXBF-CMDGGOBGSA-N	313.426	3.351	10	20	DGCD	
CN(C)C(=O)c1cccc(NCc2c(O)cccc2Cl)c1	149163492	XCWAZHSDODXWKO-UHFFFAOYSA-N	304.777	3.360	10	20	DGCD	
C[C@H](OC1CCCCCC1)C(=O)NCCc1ccc(N)cc1	152563363	IZXGZTSLMLDYIV-AWEZNQCLSA-N	304.434	3.055	10	20	DGCD	
COc1ccc(N(C[C@@H](O)COCC(C)C)C(C)C)cc1F	156773817	DBEUROIMIYCOIQ-OAHLLOKOSA-N	313.413	3.083	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)NC(C)(C)C)cc1	163625450	VCDANFXPEDOFOH-KBPBESRZSA-N	305.466	3.097	10	20	DGCD	
Cc1csc(NC(=O)NCc2c(O)ccc3c2CCCC3)n1	174353761	QKDJUXGMTFSDNY-UHFFFAOYSA-N	317.414	3.358	10	20	DGCD	
COc1ccc(N(C)Cc2cc(F)ccc2[N+](=O)[O-])c(OC)c1	179008510	CGBBFVOFILWKPJ-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
CSc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1	180618375	UUBTVXVPQJOYJH-VQHVLOKHSA-N	301.367	3.472	10	20	DGCD	
CCCNC(=O)c1cccc(CN[C@H](C)c2ccccc2O)c1	183426016	XCEVCMUTFLGSNU-CQSZACIVSA-N	312.413	3.383	10	20	DGCD	
C[C@@H](NC[C@@H](C)N1CCc2ccccc2C1)c1ccccc1O	183455761	NVHOTRRHDOFQAY-HZPDHXFCSA-N	310.441	3.490	10	20	DGCD	
C[C@@H](NCCc1nc2c(F)cccc2n1C)c1ccccc1O	183605097	FJGKQEPGSLEOTK-GFCCVEGCSA-N	313.376	3.311	10	20	DGCD	
Cc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)nc1	184244456	WWMSSXYXGHKDBQ-UHFFFAOYSA-N	310.401	3.094	10	20	DGCD	
C[C@H](NC[C@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1O	187668265	SLWAMUIRHJUYQT-XPTSAGLGSA-N	311.303	3.194	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCn2ccnc2C)cc1	268911688	ZAVGWPWOBRCQRY-OAHLLOKOSA-N	300.450	3.389	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC3(CCOCC3)CC2)c1O	284709578	ISMWJJOZUDYGTR-UHFFFAOYSA-N	321.392	3.127	10	20	DGCD	
CC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1O	287559363	GEJPOJXNICYJRW-GWCFXTLKSA-N	312.841	3.390	10	20	DGCD	
Oc1cc2c(cc1CNC[C@H]1CCCCC(F)(F)C1)OCO2	291669246	GCOFHDZXGFPMAO-NSHDSACASA-N	313.344	3.426	10	20	DGCD	
C[C@H](C(=O)NCc1ccccc1O)[C@@H]1OCCc2sccc21	293675148	KJUXENIBWBQVPY-ZBEGNZNMSA-N	317.410	3.020	10	20	DGCD	
COc1ccc(CNCc2ccccc2-n2cccn2)cc1C	321207476	YUXNKSMBTYXZJA-UHFFFAOYSA-N	307.397	3.479	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC3(CCO3)CC2)cc1F	374330262	LSKJXYLAKDXYLJ-UHFFFAOYSA-N	306.425	3.427	10	20	DGCD	
CC(C)n1cc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)cn1	732892298	AKPXLVIZBLHYJS-CYBMUJFWSA-N	316.405	3.072	10	20	DGCD	
O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cc(O)cs1	751070247	RCLTUXSXSNSSSS-LLVKDONJSA-N	322.817	3.116	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccccn2)c1O	751481581	IGIVSEJIJQWGFU-KRWDZBQOSA-N	314.360	3.466	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCCS1	753261580	IOBMNCGVVVFHAN-INIZCTEOSA-N	321.490	3.180	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1O	756760142	IMYWOHPIMSBRNC-MLGOLLRUSA-N	320.408	3.116	10	20	DGCD	
Cn1nc(CNCc2cc(Cl)ccc2O)c2ccccc21	759190023	HJYQQLSTDQEMLV-UHFFFAOYSA-N	301.777	3.222	10	20	DGCD	
CCOc1ccc(CN2CCN(C)c3ccccc3C2)c(O)c1	769319937	FUXFQTODFHPYSR-UHFFFAOYSA-N	312.413	3.243	10	20	DGCD	
Cc1cnc(N2CCN(Cc3cc(Cl)ccc3O)CC2)s1	769456373	JEFHSYCWRCPKAX-UHFFFAOYSA-N	323.849	3.133	10	20	DGCD	
COC(=O)N(C)c1ccc(NCc2c(O)cccc2OC)cc1	770406639	VFQMWQBAZAFOKW-UHFFFAOYSA-N	316.357	3.216	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCC(=O)NC(C)(C)C)cc1	772960185	UCRPJQFGEXCJFC-AWEZNQCLSA-N	305.466	3.098	10	20	DGCD	
C[C@H](NC(=O)Cc1cc(F)ccc1F)c1ccc(N(C)C)cc1	773021069	RMGZJHNOTWEEHV-LBPRGKRZSA-N	318.367	3.451	10	20	DGCD	
CC[C@H](NCCN(C)CCCOC)c1cc(Cl)ccc1O	775509380	REZALZDTYYMFLY-HNNXBMFYSA-N	314.857	3.055	10	20	DGCD	
C[C@](O)(CNCc1cc(Cl)cc(F)c1O)c1cccs1	776209107	MUEXRBHRVFHABB-AWEZNQCLSA-N	315.797	3.244	10	20	DGCD	
O=C(OCc1cc(-c2ccccc2)on1)c1cccc(O)c1O	776280578	UPLLZGMOVZNTCO-UHFFFAOYSA-N	311.293	3.110	10	20	DGCD	
C[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)[C@@H]([C@@H](C)O)C1	792180740	STIBFZZSQQDHII-GIPNMCIBSA-N	301.789	3.166	10	20	DGCD	
CC[C@H](NC[C@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1O	794791930	CQBMMUKKBFGFRA-WMZOPIPTSA-N	320.477	3.098	10	20	DGCD	
CC[C@H](NCCCOC[C@@H]1CCOC1)c1ccc(C)cc1O	794802863	OYJYUSDNPVXCMJ-RDJZCZTQSA-N	307.434	3.185	10	20	DGCD	
C[C@H](N[C@@H]1CSC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1	797063260	AWIFBLGOGRXKME-HEHGZKQESA-N	324.465	3.064	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)nc1	817944300	ZASUBBGCJZSUED-LRDDRELGSA-N	318.852	3.152	10	20	DGCD	
C[C@@H](N[C@@H](CN)C1CC1)c1ccc(N2CCCCCC2)cc1	817959861	JSBXDQTZNBWJAZ-BEFAXECRSA-N	301.478	3.455	10	20	DGCD	
O=C(O)C1CCC(NCc2ccc(N3CCCC3)cc2)CC1	821504417	WFAPKDVMKBRPKV-UHFFFAOYSA-N	302.418	3.020	10	20	DGCD	
CN1CC[C@@H]2CN(Cc3cc(-c4ccccc4)ccc3O)C[C@@H]21	824893580	WHFRVKLLFAKHGL-MJGOQNOKSA-N	308.425	3.195	10	20	DGCD	
CC(C)[C@@H](N[C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C	834737308	NBORWRAPCCCXNB-XJKSGUPXSA-N	305.418	3.335	10	20	DGCD	
CC[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(OC)cc1O	836559679	RRGRQSJRKGZOJB-OLZOCXBDSA-N	306.406	3.026	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@]2(C)C(C)C)c1	838766090	STCYJQAWGIEFES-UXEPBGEESA-N	306.406	3.196	10	20	DGCD	
Cc1ccc(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)o1	840555015	NDRPSOSUUGYHCN-CQSZACIVSA-N	314.429	3.252	10	20	DGCD	
COc1ccc(C[C@@H](C)NCCCSc2nccs2)cn1	840723492	PMYOTZAIWMDMNA-GFCCVEGCSA-N	323.487	3.250	10	20	DGCD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NCCc1ccc(N)cc1	841786055	NIPXRYCCODVFGV-NVXWUHKLSA-N	303.450	3.469	10	20	DGCD	
CCCC[C@H](CC)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	843299835	XGBHRFMGYAOBLP-YOEHRIQHSA-N	305.466	3.085	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(CN)cc2)c2c(O)ccc(F)c21	843344080	PPXZWBMDYRJPLI-IAQYHMDHSA-N	300.377	3.328	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)/C=C(\C)COC)cc1	844306793	XGWPEHBKVVYQHQ-NTCAYCPXSA-N	304.434	3.084	10	20	DGCD	
C[C@H](O)CN(Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1	848929671	YDDOSLUMMUBSIY-NSHDSACASA-N	316.367	3.117	10	20	DGCD	
C[C@@H]1C[C@H](NCc2c(C3CC3)cnn2C)c2c(O)ccc(F)c21	850535601	XRRHKDLLUYEDOC-YGRLFVJLSA-N	315.392	3.480	10	20	DGCD	
C[C@H]1CCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1	850565101	ACJHVXVBYBKRGH-KXBFYZLASA-N	302.462	3.316	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2c[nH]c3cccnc23)cc1	857002352	DQDIICRZCYTNFQ-UHFFFAOYSA-N	322.412	3.339	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1CO	857061028	IDFUGAVWSRJIDI-WMZOPIPTSA-N	302.462	3.127	10	20	DGCD	
CC(C)CC[C@H](CO)NCc1cc(Br)ccc1O	858241316	OXYOFHUBZBELTG-CYBMUJFWSA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC(C2CCC2)C2CCC2)c1	858452919	PNNJSEVCXZETIJ-UHFFFAOYSA-N	302.418	3.469	10	20	DGCD	
Nc1ccc(CNC(=O)[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1	859593940	LLRZNQKFFAXACH-YESZJQIVSA-N	312.800	3.124	10	20	DGCD	
C[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc2c(cc1O)CCCC2	886801621	PXAIGEHCZBYTBS-BMIGLBTASA-N	317.351	3.235	10	20	DGCD	
CSC(C)(C)CCNCc1ccc(N2CCN(C)CC2)cc1	895607711	UOSGOVTUZBWUJL-UHFFFAOYSA-N	321.534	3.060	10	20	DGCD	
COc1ccc(O)c(CNC(C)(C)[C@@H](O)c2ccccc2)c1	895658136	HSUOQIBAYCGUOI-KRWDZBQOSA-N	301.386	3.003	10	20	DGCD	
CN(C)c1ccc([C@@H](CNCc2ccsc2)N(C)C)cc1	898450293	ACWLQZGBYAZVEN-QGZVFWFLSA-N	303.475	3.207	10	20	DGCD	
CCOc1cccc(CN[C@@H](C(=O)O)c2cccc(C)c2)c1O	904263407	XDRWXTZYOHCDSA-MRXNPFEDSA-N	315.369	3.015	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN1CC(F)(F)F)c1ccccc1O	926925724	KVIFPLPBEMQZKD-NEPJUHHUSA-N	302.340	3.070	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCCC(C)(C)C1	1121762448	DBHFZGOZKJUVHX-UHFFFAOYSA-N	306.435	3.359	10	20	DGCD	
NCCN(Cc1ccccc1)Cc1ccc(N2CCCC2)cc1	1236520874	CBPPORABHQJBEQ-UHFFFAOYSA-N	309.457	3.248	10	20	DGCD	
CNC(=O)Cc1ccccc1NCc1cc(Cl)c(F)cc1O	1327868874	OVPLHICKVHQQOO-UHFFFAOYSA-N	322.767	3.085	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@@H]2Cc2ccccc2)c(O)c1OC	1336735886	PKZFAMQGIQARFP-JKSUJKDBSA-N	313.397	3.130	10	20	DGCD	
CCOc1ccc(SCC(=O)NCc2ccc(N)cc2)cc1	1578187336	ZWEXSZOXWRHODK-UHFFFAOYSA-N	316.426	3.076	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)o1	66970231	GHFQYVNHILYIFQ-AWEZNQCLSA-N	318.392	3.415	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)C3=CCCCO3)cc2)CC1	73476489	BXTLEOPQBFQOFX-UHFFFAOYSA-N	314.429	3.233	10	20	DGCD	
CC(C)CCO[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	75159968	INKRTSRMNWGPMT-AWEZNQCLSA-N	319.445	3.338	10	20	DGCD	
CN(CCOCC1CC1)Cc1cc(Br)ccc1O	93818436	MZLFXZFHNBBOGI-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
CN1CCc2cc(/C=C3/N=C(c4cccs4)OC3=O)ccc21	129646915	ZIUGPWKBVWUUQP-JLHYYAGUSA-N	310.378	3.085	10	20	DGCD	
C[C@H](C[C@H](O)c1ccco1)NCc1ccc(N(C)C)c(F)c1	130601829	BGOLDTSIJUFFEU-WBMJQRKESA-N	306.381	3.087	10	20	DGCD	
COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2F)c(OC)c1	131931984	XVYRBDSJXTYMCY-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@H](CN3CCCCC3)C2)c1	164408876	URYFBCPKPLKMLP-QGZVFWFLSA-N	302.462	3.317	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2ccc(O)cc2)cc1	177311433	MABKUKNHAOHDFS-UHFFFAOYSA-N	312.413	3.097	10	20	DGCD	
C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1O	179877870	ZKLHYMDQEOGXBY-QAPCUYQASA-N	324.424	3.234	10	20	DGCD	
Cc1ccc([N+](=O)[O-])c(N[C@@H](C)Cc2ccc(O)c(O)c2)c1	184146645	SLEMKUJGESWQSS-NSHDSACASA-N	302.330	3.358	10	20	DGCD	
CSc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186426739	FYAVZADDUPQOAN-LLVKDONJSA-N	317.410	3.181	10	20	DGCD	
Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1F	190961550	XMFIDKQDKMKKHU-LLVKDONJSA-N	318.348	3.298	10	20	DGCD	
CC[C@@]1(CO)CCCN1Cc1ccc(N2CCCCC2)cc1	191957163	UMNQZWLNBOUHBB-IBGZPJMESA-N	302.462	3.414	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)c(O)c1	193858493	YUXJGHZEPOWDSN-UHFFFAOYSA-N	312.413	3.429	10	20	DGCD	
Cc1ccc(O)c([C@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c1	273356819	CTFPLRJFLDQCNE-LBPRGKRZSA-N	311.385	3.064	10	20	DGCD	
C[C@H](NC[C@@](C)(O)C(F)(F)F)c1cc2c(cc1O)CCCC2	273530767	WECUMMXSFVSHDG-ZUZCIYMTSA-N	317.351	3.235	10	20	DGCD	
CCCCN(Cc1cn2cccnc2n1)Cc1ccccc1O	282476192	OGZCFBJNFPBUEW-UHFFFAOYSA-N	310.401	3.237	10	20	DGCD	
CC[C@@H](NC[C@H](C)Cn1ccnc1C)c1ccc(F)cc1O	286277436	VPBYOVMTPDWHKJ-BLLLJJGKSA-N	305.397	3.413	10	20	DGCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccncc1	294082542	XIJFDTGYOSHLOU-JXTAAOLFSA-N	324.380	3.116	10	20	DGCD	
COc1ccc(N2CCCN(c3nc4ccccc4[nH]3)CC2)cc1	301896277	UQFUMEPQAJZWAF-UHFFFAOYSA-N	322.412	3.288	10	20	DGCD	
Cc1c(CNC(=O)c2cn3ccccc3n2)n(C)c2ccccc12	348665940	KLYQNEMIZIHBNO-UHFFFAOYSA-N	318.380	3.064	10	20	DGCD	
Cc1c(CNC(=O)NCCc2ccco2)n(C)c2ccccc12	349170027	XFNGDMLONHZFCN-UHFFFAOYSA-N	311.385	3.122	10	20	DGCD	
CCCc1cc(C(=O)NCc2c(C)c3ccccc3n2C)no1	451318933	YBGGCHGFISBTQS-UHFFFAOYSA-N	311.385	3.357	10	20	DGCD	
CCCCOCCCNCc1c(O)cccc1Br	706830019	KKMJIGNATQETER-UHFFFAOYSA-N	316.239	3.451	10	20	DGCD	
CC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	735322831	FYZNGGYYSHSIAL-OAHLLOKOSA-N	303.450	3.474	10	20	DGCD	
CCN(CC)c1ccc(CNC2CCC(C(=O)O)CC2)cc1F	737094339	PHGFWHZGQBWOAY-UHFFFAOYSA-N	322.424	3.405	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]2CN2CCCCC2)cc1C	738097934	HCIKMOLDSJMLET-GOSISDBHSA-N	302.462	3.459	10	20	DGCD	
CCCN(C)C[C@H]1CCN(Cc2c(O)ccc3ccncc23)C1	743390695	UXHXSQQJRSACNW-OAHLLOKOSA-N	313.445	3.104	10	20	DGCD	
CCC[C@@H](O)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	750234763	WSKQGKZKSBUAEK-QGZVFWFLSA-N	306.450	3.041	10	20	DGCD	
C[C@@H](NCC(C)(C)N(C)C)c1ccc(Br)cc1O	756343608	PRVWQFKSUXHCOO-SNVBAGLBSA-N	315.255	3.146	10	20	DGCD	
C[C@@]1(C(=O)O)CCC[C@H]1NCc1ccc(N2CCCCC2)cc1	756385411	DMOIKIDJWUTQAC-IEBWSBKVSA-N	316.445	3.410	10	20	DGCD	
C[C@@H]1C[C@@H](NCCCc2cnn(C)c2)c2c(O)ccc(F)c21	756525451	BTVFLBCGJDALPP-BXUZGUMPSA-N	303.381	3.036	10	20	DGCD	
CCN1CCC(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1	756534667	MFWRXWQTFWGWIN-DOMZBBRYSA-N	306.425	3.401	10	20	DGCD	
CC[C@H](O)CCN[C@@H](C)c1cc(Br)c(F)cc1O	756657657	FAECDOMEWUBJJE-IUCAKERBSA-N	320.202	3.105	10	20	DGCD	
CCOc1ccc(CNC[C@]2(C)CCO[C@@H]2C2CC2)c(O)c1	767196970	ZWMRVLZPNBYNCS-MSOLQXFVSA-N	305.418	3.086	10	20	DGCD	
COc1cccc(O)c1CN1CCO[C@H](c2ccc(F)cc2)C1	768426181	PPAIWUJRXFNWEK-SFHVURJKSA-N	317.360	3.113	10	20	DGCD	
COc1cccc(O)c1CN1C[C@H](c2ccsc2)O[C@H](C)C1	769514405	LYDOOKOLZRLEST-SJKOYZFVSA-N	319.426	3.424	10	20	DGCD	
CCC(CC)N(Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1	774834603	GICZBWDVIUCLBO-UHFFFAOYSA-N	308.378	3.462	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2C)C12CCC2	776156598	LUCQJVYAWGSTQX-MSOLQXFVSA-N	302.462	3.498	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@](O)(c2ccc(F)cc2)C1	777438416	MLYIGQDIPGWXOG-QGZVFWFLSA-N	321.779	3.278	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CSc2ccccc21	779517446	BDNWEWGZKDKFAN-WOLRVDTOSA-N	313.378	3.074	10	20	DGCD	
COc1cnccc1[C@@H](C)NCc1ccc(N(C)C)c(F)c1	782546296	ZAKSTHMAKCNXJX-GFCCVEGCSA-N	303.381	3.146	10	20	DGCD	
CC[C@H](NCCN1CCC1)c1cc(Cl)cc(Cl)c1O	806148202	DOBZXJHAKBFTBV-ZDUSSCGKSA-N	303.233	3.445	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C1=COCCC1	807838113	ISYXOOXRLKUPFN-UHFFFAOYSA-N	302.157	3.010	10	20	DGCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccccc1F	808115856	VQGBMSJNDCCQNZ-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
C[C@@H]1C[C@@H](O)CN1Cc1ccc2c(c1)CCN2Cc1ccccc1	809651838	BFWLDROJCNYQGU-OXQOHEQNSA-N	322.452	3.204	10	20	DGCD	
C[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1cc(F)ccc1O	815631693	NVAWKRXRYQZANF-MRVPVSSYSA-N	307.300	3.334	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)CCN1	817970851	GFQRNIGTUZQDSL-NUJGCVRESA-N	301.478	3.468	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN2CCC[C@@H]2CO)cc1	823395595	XTNTVWMKSFKABE-QGZVFWFLSA-N	316.470	3.341	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NOCC2CCC2)cc1	824032109	AFFMRIDOVFOUCI-UHFFFAOYSA-N	305.422	3.064	10	20	DGCD	
CC(C)(C)c1cnc(Sc2cccc(-c3nn[nH]n3)n2)s1	824135463	FIEZODKTJFLOER-UHFFFAOYSA-N	318.431	3.167	10	20	DGCD	
OC[C@@H](C1CC1)[C@@H](NCc1ccc2ccccc2c1O)C1CC1	824846326	QRPBZQOCSSJMJN-OALUTQOASA-N	311.425	3.432	10	20	DGCD	
COc1cc(O)c(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cc1OC	824941589	PVIOLQCYPLBGTG-KDOFPFPSSA-N	303.402	3.030	10	20	DGCD	
Oc1ccc(F)cc1CNC1(Cc2ccccc2)CCOCC1	825197167	UAOWQKDQCAFTFO-UHFFFAOYSA-N	315.388	3.413	10	20	DGCD	
CN(CCC(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1	826019486	GPVYDRUPNJLFGL-UHFFFAOYSA-N	309.429	3.469	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCC[C@H]1O)c1cc2c(cc1O)CCCC2	834901211	QWBGWQBSOZDKOI-RPVQJOFSSA-N	303.446	3.473	10	20	DGCD	
C[C@H]1C[C@@H](CN(C)Cc2ccc(N3CCCCC3)cc2)CCN1	841003261	PDVJFGZHKCAUQH-HKUYNNGSSA-N	315.505	3.497	10	20	DGCD	
CCOc1ccc(O)c(CN2C[C@H](C)NCc3ccccc32)c1	841089211	JANZLZBFIOIBRP-AWEZNQCLSA-N	312.413	3.289	10	20	DGCD	
N[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1c1cccc(F)c1	841103835	LXDLTDLLVJIPED-XJKSGUPXSA-N	320.795	3.111	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2CO[C@H](C)C2)c1C	844106272	MLFVNSPYFCREQU-GDBMZVCRSA-N	312.413	3.310	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](C(C)C)N2CCCC2)c1O	846138628	LSQXLWMMBXQIPX-ZBFHGGJFSA-N	306.450	3.172	10	20	DGCD	
C[C@H](NCCC(C)(C)F)c1ccc(N2CCOCC2)c(F)c1	850533105	ZLLOBGGXLNTAMR-ZDUSSCGKSA-N	312.404	3.451	10	20	DGCD	
COc1ccc(N(C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1	852210051	WUKXEWJQBODSJV-OAHLLOKOSA-N	318.461	3.416	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)C(C)(C)CO)c2C)c1	863161207	AEQABDVADHLQMI-UHFFFAOYSA-N	314.429	3.037	10	20	DGCD	
Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1ccccc1O)CO2	868410938	QTAHKZZPPXTMAQ-IUODEOHRSA-N	312.369	3.195	10	20	DGCD	
CC(C)Nc1ccccc1NCC(=O)NCc1ccc(F)cc1	871846860	DMZJHBUUKOPFED-UHFFFAOYSA-N	315.392	3.374	10	20	DGCD	
CCN(CCCN[C@H](C)c1ccccc1O)CC(F)(F)F	879649407	QWZPZTHYIUPHJO-GFCCVEGCSA-N	304.356	3.317	10	20	DGCD	
COC[C@H](NCc1cc(F)cc(F)c1O)c1cccc(OC)c1	883167157	REFNJCSWXKEFBW-INIZCTEOSA-N	323.339	3.156	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)[C@@H](O)c2ccc(F)cc2)c1O	894259860	ZNQZEEIJLZWSDR-SJKOYZFVSA-N	319.376	3.060	10	20	DGCD	
CN=[S@@](C)(=O)c1cccc(NCc2c(C)cccc2O)c1	895731945	SZGYWWDEACQCGE-NRFANRHFSA-N	304.415	3.399	10	20	DGCD	
C[C@H]1C[C@@H](C)[C@H](C(=O)O)[C@H](C)N1Cc1ccc(N(C)C)cc1	903951314	TXJKDFFJSZOXSW-FHIRATQRSA-N	304.434	3.072	10	20	DGCD	
O=C(CSc1c(F)cc(F)cc1F)c1ccc(O)c(O)c1	917440060	KZCJBADHKKIRKB-UHFFFAOYSA-N	314.284	3.490	10	20	DGCD	
CC1(C)CCC[C@]1(O)CNCc1ccc(N2CCCC2)cc1	1117745007	DPFFNEUVAPSCTD-IBGZPJMESA-N	302.462	3.318	10	20	DGCD	
O=C(O)[C@H]1C[C@H](NCc2ccc3c(c2)CCCO3)c2ccccc21	1594903414	UJSDNGIRLJVTSE-ROUUACIJSA-N	323.392	3.414	10	20	DGCD	
C[C@@H](NCc1ccc(C(=O)O)c(F)c1)c1ccc(N(C)C)cc1	1604351284	ZJMWOGOGQBZTJD-GFCCVEGCSA-N	316.376	3.441	10	20	DGCD	
CO[C@@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	76247596	WFUCMCUYXHHSEP-GOSISDBHSA-N	312.413	3.345	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCCO2)cc1F	87334494	DBFCWLFYTLPPQN-OAHLLOKOSA-N	322.424	3.247	10	20	DGCD	
O=C1CCCCN1C1CCN(Cc2cc(Cl)ccc2O)CC1	93741593	OCASKZSVTYZCKL-UHFFFAOYSA-N	322.836	3.023	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	124808946	GVEPEFQCIVNYJL-FZKQIMNGSA-N	302.393	3.276	10	20	DGCD	
COc1cccc(CNC(=O)[C@H]2C[C@H]2c2sccc2C)c1O	133593962	YNWPWYSUDZLJBI-OLZOCXBDSA-N	317.410	3.191	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@]3(CCOC3)C2)c1	151285592	AKUCWBVYLFEDFB-SFHVURJKSA-N	305.418	3.008	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)C1(c2ccc(Cl)cc2)CC1	159075176	CZONBAQCZNYCAU-UHFFFAOYSA-N	317.772	3.099	10	20	DGCD	
CCOc1cccc(CN(CCOC)Cc2ccccc2)c1O	160445270	DCTPOHHIDZFVDC-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN([C@@H](C)C(F)(F)F)CC2)c1	164457075	BTZBEUVSTLVARJ-ZDUSSCGKSA-N	316.367	3.077	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)Cc2ccc([S@@](C)=O)cc2)c1	164461096	LRBOCKOYFBKFDB-QFIPXVFZSA-N	317.454	3.378	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1	179224286	AQFRXHQGVGPAEX-AWEZNQCLSA-N	318.804	3.266	10	20	DGCD	
CC[C@@H](NCCC(C)(C)O)c1cc(Br)ccc1O	274792009	OHXKZSZJGRQZGI-GFCCVEGCSA-N	316.239	3.356	10	20	DGCD	
C[C@H]1CCN(C(=O)/C=C/c2cncs2)c2c(O)cccc21	282480235	WUGONQKMYOEDRX-QRGHLMKCSA-N	300.383	3.402	10	20	DGCD	
CCOC1CC(O)(CN[C@@H](CC)c2cccc(Cl)c2O)C1	286870083	BRVNYYGIOWEZEJ-WMEQCIOUSA-N	313.825	3.016	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ncoc2C2CC2)cc1	293157964	RHFMLDNFCIKZMH-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
COc1ncc(CN[C@@H]2CCc3cccc(O)c32)cc1Cl	296589158	UVXDOGPUKJOHIN-CYBMUJFWSA-N	304.777	3.226	10	20	DGCD	
CC(C)CN1CCC[C@@H](CN[C@@H]2CCc3cccc(O)c32)C1	296954250	QWOXWCUVQFUNJB-DOTOQJQBSA-N	302.462	3.337	10	20	DGCD	
CC[C@H](C)[C@](C)(O)CNCc1cccc(Br)c1O	304033564	GYJYEMAGRXSAEJ-IINYFYTJSA-N	316.239	3.041	10	20	DGCD	
CCOC(=O)c1cnc(Sc2ccc(NC(C)=O)cc2)s1	313992771	XZKRPDAPESZWAE-UHFFFAOYSA-N	322.411	3.429	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC1CCN(C2CC2)CC1	315473544	KCSDXZZGEVZTCQ-CZUORRHYSA-N	300.446	3.465	10	20	DGCD	
COCC(C)(C)CC(=O)NCc1c(C)c2ccccc2n1C	412298793	GFSRBIZYUCLJOD-UHFFFAOYSA-N	302.418	3.166	10	20	DGCD	
Cc1c(CNC(=O)N2C[C@H]3CCC[C@@H]3C2)n(C)c2ccccc12	472234993	ZLMSCPLYZKZALX-HUUCEWRRSA-N	311.429	3.428	10	20	DGCD	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)CF)CCCC1	650035601	WKCOKFFADSKTDJ-LBPRGKRZSA-N	318.392	3.003	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2F)c1	728938767	PZDHXRFTBGXRDV-JTQLQIEISA-N	304.321	3.423	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)cc2F)c1	728983586	BOTGJTJPDDBJBD-VIFPVBQESA-N	307.296	3.170	10	20	DGCD	
CCc1ccccc1NNC(=S)Nc1ccc2c(c1)OCO2	735234899	BFLKSPOXTJVKHO-UHFFFAOYSA-N	315.398	3.291	10	20	DGCD	
CCCN1CCC[C@H]1C(=O)NCc1ccc(N(CC)CC)cc1	749571743	BQXPVVSQXLGAIX-SFHVURJKSA-N	317.477	3.023	10	20	DGCD	
CCN(CCN[C@@H](C)c1cc2c(cc1O)CCCC2)C1CC1	756527261	XOUUZNGBMYHILL-AWEZNQCLSA-N	302.462	3.406	10	20	DGCD	
C[C@H]1CN(C2CC2)C[C@@H]1N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756644443	AGGLJAWMJFRHEW-PKIAMQTDSA-N	304.409	3.152	10	20	DGCD	
Oc1ccc2c(c1)CC[C@H](NCc1cc(Cl)ccc1O)C2	767727149	IAHFQDKASWDKJI-HNNXBMFYSA-N	303.789	3.398	10	20	DGCD	
C[C@@H](NC(=O)NCC[C@H]1CCCCO1)c1ccc(N(C)C)cc1	773436840	SEJVIXBLCSAJKX-RHSMWYFYSA-N	319.449	3.072	10	20	DGCD	
C[C@H](NCCc1cncn1C)c1cc(Cl)c(Cl)cc1O	774365300	XJUSSXXTRBLWEJ-VIFPVBQESA-N	314.216	3.326	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](F)Cc2ccccc2)c1	778390173	LOYVJUAZTNXWMX-MLGOLLRUSA-N	317.360	3.159	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1c[nH]c2ccccc12	787448247	COGABDJEKJEVDA-LBPRGKRZSA-N	324.380	3.389	10	20	DGCD	
C[C@H](CNC(=O)c1c(F)ccc(O)c1O)Sc1ccccc1	789987043	PTIXDTCYYMMNHF-SNVBAGLBSA-N	321.373	3.148	10	20	DGCD	
CCC1(CNCc2c(O)ccc(Cl)c2F)CCOCC1	790971187	QRHMXAGQAOXGOF-UHFFFAOYSA-N	301.789	3.481	10	20	DGCD	
C[C@@H](NCCC1(C)OCCO1)c1cccc(C(F)(F)F)c1O	798182070	AHLCCLMWBMPLGD-SNVBAGLBSA-N	319.323	3.215	10	20	DGCD	
Cc1cc(C(=O)O[C@H](C)C(=O)C2CC2)c(C)n1-c1ccccn1	798591798	YFYRTKHSOQWDRB-CYBMUJFWSA-N	312.369	3.014	10	20	DGCD	
Cc1cc(CN[C@@H](C(C)C)C2(CO)CCC2)ccc1N(C)C	815251393	ZIIVXQAEBNSINQ-SFHVURJKSA-N	304.478	3.338	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@]2(O)CCc3ccccc32)c(O)c1	815598640	ZDEYYNTZNNDXAT-MGPUTAFESA-N	311.425	3.494	10	20	DGCD	
CCOC1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCCC1	815644824	MYVGPACDOHOEFS-LBPRGKRZSA-N	308.378	3.300	10	20	DGCD	
O=C1CCCN1[C@@H]1CCCN(Cc2ccc3ccccc3c2O)C1	816506395	ATXFZGNXKLJGCB-QGZVFWFLSA-N	324.424	3.132	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H](O)c1cccc(F)c1	816544030	VRUURQIPZGRRFE-OAHLLOKOSA-N	313.731	3.147	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	816646255	ARNQCAPIVPSEPL-QGZVKYPTSA-N	312.457	3.001	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc(CC)n(C)n1	817340995	XHUDFDMJZNJSLM-UHFFFAOYSA-N	316.405	3.132	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	817788061	NLCKKNONHAPULS-DZKIICNBSA-N	300.402	3.136	10	20	DGCD	
COc1ccc(CNC[C@@H](O)Cc2cccc(Cl)c2)cc1C	818997905	NQYFLNUDLOLJCA-KRWDZBQOSA-N	319.832	3.350	10	20	DGCD	
COc1ccc(N2CCC(NCc3ccncc3C)CC2)cc1	823758118	SNFZVGUEYKZSAZ-UHFFFAOYSA-N	311.429	3.157	10	20	DGCD	
C/C(=C\C(=O)N1CCCc2c(C)cc(C)cc21)c1cnccn1	825652039	AFGHYYNIIUGJBX-RVDMUPIBSA-N	307.397	3.476	10	20	DGCD	
CC1(C)C[C@]1(C(=O)NCc1ccc(O)c(O)c1)c1ccccc1	830558933	DUUQZGYQMMEWDP-LJQANCHMSA-N	311.381	3.082	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@H]2CCc3cccc(O)c32)cc1C	834910131	FRFVTJLHHOOLIW-MSOLQXFVSA-N	311.425	3.190	10	20	DGCD	
CC[C@H](C)[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	839146451	HUBIMZNLJNBLSW-QWHCGFSZSA-N	312.404	3.326	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(N(C)C)cc2C)C1	840935383	NUDDQBZTQHKGTG-CDMIOBSGSA-N	322.518	3.230	10	20	DGCD	
CCc1ncc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)cn1	840977174	UFPPKRQAMDADSX-HNNXBMFYSA-N	312.461	3.134	10	20	DGCD	
Oc1c(F)cccc1CN1CCNC[C@H]1c1ccccc1Cl	843119248	SGWFVHPJWAOQHH-INIZCTEOSA-N	320.795	3.331	10	20	DGCD	
COc1cccc([C@H](C)NC2CC(C)(C)NC(C)(C)C2)c1O	846137381	ORNYAWQAKRKLLZ-LBPRGKRZSA-N	306.450	3.361	10	20	DGCD	
C[C@@H]1C[C@H](N)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F	846704291	UIQCEXXXLAXETE-DGCLKSJQSA-N	315.383	3.083	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](C)CN2CCC(C)CC2)c1	850387571	UWAXPZYUMAMNAI-OAHLLOKOSA-N	306.450	3.001	10	20	DGCD	
C[C@@H](NCc1c(C2CC2)cnn1C)c1cc(F)cc(F)c1O	850534827	NRKMDZJXOVJGIS-SECBINFHSA-N	307.344	3.132	10	20	DGCD	
C[C@@H](NC[C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O	850545596	QILOCBJKGJJWDP-PWSUYJOCSA-N	317.351	3.470	10	20	DGCD	
Cc1noc(C)c1C[C@@H](C)NCc1cc(F)c(N(C)C)cc1F	858140798	GRPZOJCUQYFQMJ-SNVBAGLBSA-N	323.387	3.356	10	20	DGCD	
Cc1ccc(O)c(CNCc2cncc(Br)c2C)c1	858239512	OVLASEPHWFOOSG-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2c(C)cccc2O)C1	876658285	RRQAOKASFWLAEY-CVEARBPZSA-N	318.461	3.217	10	20	DGCD	
Cc1coc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1	878781156	WDXVMRVHDIJFLW-OAHLLOKOSA-N	315.369	3.115	10	20	DGCD	
COC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccc(C)o1	894330273	WMVLVFSBUKVDRH-CQSZACIVSA-N	305.374	3.088	10	20	DGCD	
CCc1cccc(CN2CCC(Cc3noc(C)n3)CC2)c1O	896550732	ZWVGVRKDJAWCNT-UHFFFAOYSA-N	315.417	3.101	10	20	DGCD	
COc1ccc(N(Cc2noc3c2COCC3)CC(C)C)cc1	929920229	CTIBOWHKOXBREA-UHFFFAOYSA-N	316.401	3.419	10	20	DGCD	
CN(C)[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCCC2)cc1	1116032462	JSZVZRUJCKWTJO-RBUKOAKNSA-N	301.478	3.249	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ncccc1N(C)C	1117633507	RZXKSKVKHVRSDY-KBPBESRZSA-N	311.429	3.500	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@@H](C)NC(=O)CC2CC2)cc1C	1133482047	KGYKLJYVGGYEIS-HUUCEWRRSA-N	318.461	3.177	10	20	DGCD	
Cc1cc(C)c(C(=O)NCc2cccc(Br)c2O)[nH]1	1321990042	OJDLQOBMPRQIBI-UHFFFAOYSA-N	323.190	3.030	10	20	DGCD	
CN(C)c1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1	1323418565	MJRPQRGAUBUPRL-UHFFFAOYSA-N	316.748	3.195	10	20	DGCD	
C[C@H](CNCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C	1327681364	YYCFWRKVEMDNKQ-OAHLLOKOSA-N	318.461	3.354	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)NC[C@@H]3C=CCC3)cs2)cc1	1337007831	QWLRGAXAMBOIBV-CYBMUJFWSA-N	313.426	3.012	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc([N+](=O)[O-])cc1	1344042597	KNPWBVWEZGKUKA-UHFFFAOYSA-N	318.676	3.037	10	20	DGCD	
CCCCN(Cc1c[nH]c(C(=O)O)c1)Cc1ccccc1O	1574494414	UREXYECVGMZOOJ-UHFFFAOYSA-N	302.374	3.221	10	20	DGCD	
Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1ccc(N)cc1	1579886219	HPTWJWOQAKGQLN-UHFFFAOYSA-N	310.332	3.154	10	20	DGCD	
C[C@](NCc1cccc(Cl)c1O)(C(=O)O)c1ccccc1	1589131294	HXNISQSTULHHRX-MRXNPFEDSA-N	305.761	3.135	10	20	DGCD	
Cc1cc(C)c(C(=O)O)cc1NC(=O)NCc1ccccc1O	1600157763	VLMGCNQWTWFZTJ-UHFFFAOYSA-N	314.341	3.029	10	20	DGCD	
CCN1CCc2cc(CN[C@H](C(=O)O)c3cccs3)ccc21	1776884741	OEGWSOZGJUOAGY-INIZCTEOSA-N	316.426	3.046	10	20	DGCD	
CN(C)c1ccc(CN2CCc3cc(C(=O)O)sc3C2)cc1	1777039703	VSXYCBUJIHZSRP-UHFFFAOYSA-N	316.426	3.071	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@@H]1CCN(CC(F)(F)F)C1	37648205	NCHPPDPEBUABAB-JTQLQIEISA-N	322.758	3.019	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1CC(F)(F)F	92102929	AYGMMFKAEZKOCY-JTQLQIEISA-N	322.758	3.114	10	20	DGCD	
OC1(CNCc2ccc(N3CCCCC3)cc2)CCCCC1	102426215	QSKDDFLMVRZNIQ-UHFFFAOYSA-N	302.462	3.462	10	20	DGCD	
CC(C)CSCCCNC(=O)N(C)Cc1ccccc1O	129970207	NNWGFKRSFKDVEZ-UHFFFAOYSA-N	310.463	3.313	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc3c(c1)CCN3C)N2	130286251	YEEYMGNAESLKSE-GOSISDBHSA-N	307.397	3.184	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)nc1	134239284	WTTSREGMOGXSGS-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
C[C@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N(C)C)cc1	134786032	IXLYGSTUUNFSQQ-MGHWNKPDSA-N	300.446	3.361	10	20	DGCD	
CCN(C)C[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	173496082	ANFHAZLQCXBICR-AWEZNQCLSA-N	320.477	3.169	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1C1CCCC1	180689152	KWOWRFDFHDNWRK-TUPIDYKKSA-N	301.386	3.292	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCC3(C2)OCCO3)cc1F	182080280	KHZCPMSGNDCFNL-UHFFFAOYSA-N	322.424	3.011	10	20	DGCD	
C[C@H]1CCC[C@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21	186833508	IJWFERDTKIXRBR-KBPBESRZSA-N	302.418	3.304	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc[nH]2)cc1F	187834627	JEQDLMPOPVIELE-CSKARUKUSA-N	315.392	3.330	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1ccnc(N2CCCC2)c1	264935450	CPIVSDQAEGMTKJ-UHFFFAOYSA-N	317.820	3.331	10	20	DGCD	
COCC[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	266885276	XLHDUWLMUBBOTR-HNNXBMFYSA-N	321.465	3.098	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCO[C@H](C)C2)cc1	271321008	YRPOXUKYSRUIMB-WBVHZDCISA-N	312.413	3.391	10	20	DGCD	
CCN(CC)CCC[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273421131	SCXYNUAQPPJMIV-UONOGXRCSA-N	323.437	3.462	10	20	DGCD	
COc1cccc(CN[C@H](C)[C@@H]2OCCc3sccc32)c1O	291765090	SASOBJFOAYFEKM-DIFFPNOSSA-N	319.426	3.254	10	20	DGCD	
Cc1cc(Cn2cc(C(F)(F)F)ccc2=O)ccc1N(C)C	292640488	JHOUUSNZADCNAG-UHFFFAOYSA-N	310.319	3.290	10	20	DGCD	
CCOCCCCNC(=O)N(CC)Cc1ccc(N(C)C)cc1	298989936	RIQKJNPHZRNRBY-UHFFFAOYSA-N	321.465	3.101	10	20	DGCD	
Cc1c(CNC(=O)NCCSC(C)C)n(C)c2ccccc12	346287023	KIUKSEZNEIGCRM-UHFFFAOYSA-N	319.474	3.428	10	20	DGCD	
Cc1nc([C@H]2CCCCN2Cc2ccc(N(C)C)c(F)c2)no1	372435620	MILVFOJFWAFQFB-MRXNPFEDSA-N	318.396	3.310	10	20	DGCD	
CC(C)OCCCNCc1cc(Br)cc(F)c1O	715746267	SVGFVAFDPQMGLO-UHFFFAOYSA-N	320.202	3.199	10	20	DGCD	
COCc1cccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	728983588	BPFMKYJVTNARBF-LBPRGKRZSA-N	315.369	3.038	10	20	DGCD	
CC(C)COC[C@H](NC(=O)c1cc(O)cs1)c1ccco1	732283173	DSGRDGDRULQGHO-LBPRGKRZSA-N	309.387	3.190	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccn(C)c2)cc1	747891594	PHIVFQYCGWQFGL-UHFFFAOYSA-N	307.397	3.363	10	20	DGCD	
Cc1nn(C)c(C)c1CN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	756513614	OQNGAEBPJKOKAZ-YMTOWFKASA-N	303.381	3.220	10	20	DGCD	
C[C@H](NCCOC[C@@H]1CCCO1)c1cc2c(cc1O)CCCC2	756585101	XEFSVUYCFQHNFH-YOEHRIQHSA-N	319.445	3.117	10	20	DGCD	
CCC(=O)CCCOC(=O)c1sc2nc(C)cc(C)c2c1N	759468756	TWYVHOFRZDASDN-UHFFFAOYSA-N	320.414	3.411	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@@H]2CC3(CC3)C(=O)O2)cc1	763651602	KOKGEZBYRMEHRG-KRWDZBQOSA-N	316.445	3.060	10	20	DGCD	
Cc1cc(C(=O)OC[C@@H]2CCCOC2)c(C)n1-c1ccccn1	766315569	VIQOHNSPCKVUFH-OAHLLOKOSA-N	314.385	3.073	10	20	DGCD	
C[C@H]1C(=O)NCCCN1Cc1cc2oc3ccccc3c2cc1O	788047868	NWYYKPBUDDLNKT-LBPRGKRZSA-N	324.380	3.002	10	20	DGCD	
C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1cccc(C(F)(F)F)c1O	788763485	IZICROYZVQVTHX-KPXOXKRLSA-N	303.324	3.221	10	20	DGCD	
OCCN(CCc1ccccc1)Cc1c(O)ccc(Cl)c1F	792166868	UUJRJVGSBCVBHP-UHFFFAOYSA-N	323.795	3.222	10	20	DGCD	
O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1O	792630964	XQKZLKWZFBGWFL-GXTWGEPZSA-N	315.344	3.303	10	20	DGCD	
COc1ccc(CNC(=O)C(F)(F)c2ccc(C)cc2)c(O)c1	794374426	SQARVBOQBVFZMI-UHFFFAOYSA-N	321.323	3.117	10	20	DGCD	
CO[C@@H]1CC[C@@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1	800462481	GUQNKADKTFXQDX-HUUCEWRRSA-N	314.385	3.213	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1F	808121166	ARACWOPMSGOQLG-UHFFFAOYSA-N	315.392	3.338	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCc2ccnc(N(C)C)n2)c1O	808710416	PVJAFYIFIFZMPU-LLVKDONJSA-N	320.824	3.061	10	20	DGCD	
CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cc(Cl)cc(C)c1O	808714001	LHXRQHLHHWJTNS-NILFDRSVSA-N	313.825	3.199	10	20	DGCD	
COc1cc(CCO)ccc1NCc1c(O)cccc1Cl	809654530	GMKDXUAPUYDIBU-UHFFFAOYSA-N	307.777	3.201	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@H](C)COC)cc1F	812505517	OVQTUZNTGRMACA-ZIAGYGMSSA-N	324.440	3.207	10	20	DGCD	
OCC(F)(F)CN[C@H](CCc1ccccc1)c1ccccc1O	815616876	ALHCJSOOQWGLPY-MRXNPFEDSA-N	321.367	3.283	10	20	DGCD	
O=C1CCCN1[C@H]1CCCN(Cc2ccc3ccccc3c2O)C1	816506394	ATXFZGNXKLJGCB-KRWDZBQOSA-N	324.424	3.132	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCNC1)c1cc(Cl)c(Cl)cc1O	817946572	ZWSKCESMLDWQRJ-NXEZZACHSA-N	303.233	3.349	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C2CCC3(CC2)CC3)cc1F	824669150	GXTJEFGDCZRSGK-UHFFFAOYSA-N	304.409	3.478	10	20	DGCD	
CNC(=O)CC[C@H]1CCCCN1Cc1cc(Cl)c(C)cc1O	825892678	GQLPDJBXKRSSQQ-CQSZACIVSA-N	324.852	3.235	10	20	DGCD	
C[C@H](NC(=O)N[C@H]1CS[C@H](C)C1)c1ccc(N(C)C)cc1	840355000	VGAZPIYZHLYQEY-MBNYWOFBSA-N	307.463	3.007	10	20	DGCD	
CCS(=O)(=O)CCCN[C@H](C)c1ccc2ccccc2c1O	840888226	DIOZSZUHMHKHSM-CYBMUJFWSA-N	321.442	3.021	10	20	DGCD	
COc1cccc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)n1	840975221	DXURTAPQOVVFTF-HNNXBMFYSA-N	313.445	3.185	10	20	DGCD	
Cc1cc(NC(=O)[C@H](C)Sc2ncc(Cl)s2)on1	849998324	DLTSYEFALZGREI-LURJTMIESA-N	303.796	3.212	10	20	DGCD	
CCN(C)[C@@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1	862759087	VGJLPWHIWOAKOV-GOSISDBHSA-N	312.413	3.010	10	20	DGCD	
CCCOc1ccc(CNCc2nnc(CC)s2)cc1C	873127048	GTADBFOEVWAPLJ-UHFFFAOYSA-N	305.447	3.488	10	20	DGCD	
C[C@H](N[C@H](CCO)Cc1ccccc1)c1c(O)cccc1F	886606525	ANWUQYJQPJHPEL-DZGCQCFKSA-N	303.377	3.176	10	20	DGCD	
CCN(CC)c1ccc(CN2CCc3c(ncn3CC)C2)cc1	897337017	UGCDUCZEYVBMMG-UHFFFAOYSA-N	312.461	3.308	10	20	DGCD	
Cc1nc(C(C)C)ncc1-c1nc(Cc2ccc(N)cc2)no1	904077126	PQLKGMUBXVVRAV-UHFFFAOYSA-N	309.373	3.131	10	20	DGCD	
O=C(CCC1CCCCC1)OCC(=O)c1ccc(O)c(O)c1	916590450	BKCSBIOPYXLLKW-UHFFFAOYSA-N	306.358	3.184	10	20	DGCD	
C[C@](O)(CNCc1ccc2c(c1)CCCO2)c1ccc(F)cc1	921939774	GZJZQMAQMGEQOV-IBGZPJMESA-N	315.388	3.148	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	930205557	NCAUGPXFALVZCP-BKPSIGNASA-N	310.441	3.195	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCc1cc(C)on1	934706339	JAMLGHNGDMJXDV-UHFFFAOYSA-N	302.374	3.060	10	20	DGCD	
CCC(=O)N1CCC([C@H](C)NCc2ccc(OC)c(C)c2)CC1	1029030981	HYGLBAVPSWMJII-HNNXBMFYSA-N	318.461	3.130	10	20	DGCD	
Cc1ccc(C2=N/C(=C/c3ccc4c(c3)CCN4C)C(=O)O2)s1	1319507691	AMZPJDFSEPEGPT-GXDHUFHOSA-N	324.405	3.393	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](OC)c2ccc(F)cc2)c1O	1338250652	RYEYPHDNWGWIBK-KRWDZBQOSA-N	319.376	3.326	10	20	DGCD	
CN[C@H](C)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	1345809651	KYJOKJGLWNJJNJ-CQSZACIVSA-N	313.445	3.130	10	20	DGCD	
C[C@H](N[C@@H]1CCc2cc(N)ccc21)c1cc(C(=O)O)ccc1O	1593234434	ZZOUCERNYWKKEK-MGPLVRAMSA-N	312.369	3.011	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C(=O)O)c1cccnc1	1605278291	XUARASYENLSNAL-QGZVFWFLSA-N	314.385	3.215	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(C(=O)O)oc2C)cc1	1605435901	SQYAFRYWDPPSCB-UHFFFAOYSA-N	316.401	3.422	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(=O)O)c(C)n2C)cc1Cl	1610338642	KLKWWKVIFMMYCI-UHFFFAOYSA-N	322.792	3.330	10	20	DGCD	
CCc1nnc(CSc2ncc(-c3ccccc3)n2C)o1	29878484	VZLSIANJHHTEDJ-UHFFFAOYSA-N	300.387	3.325	10	20	DGCD	
Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1	46467448	CDAJXOLEHSQAEU-MRXNPFEDSA-N	316.376	3.142	10	20	DGCD	
CN(Cc1cc(Cl)cc(Cl)c1O)C1CCC(N)CC1	91843622	VXJZNJMCJWCXHN-UHFFFAOYSA-N	303.233	3.401	10	20	DGCD	
COc1cccc2c1OC[C@H](NCc1c(O)cccc1Cl)C2	113335055	QIMVEOFXCUDSCM-GFCCVEGCSA-N	319.788	3.148	10	20	DGCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)n1C(C)C	156611394	IPQQQOBOGPEBEO-UHFFFAOYSA-N	316.401	3.070	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CCCSC3)CC2)cc1	159577085	KEACHUCFBQKTCR-OAHLLOKOSA-N	306.475	3.149	10	20	DGCD	
CCc1nn(C)cc1CN(CC)Cc1ccc(N(C)C)cc1	183444059	WUPUTCXMWQRTEX-UHFFFAOYSA-N	300.450	3.071	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1O	185511463	XSAADLYQDJGYHD-HWWQOWPSSA-N	305.443	3.308	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2ccc(Cl)cn2)c1	186107676	MQOVWCAXOIGXKO-LLVKDONJSA-N	322.792	3.179	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	194978346	NNMWSABKNLREGW-KSZLIROESA-N	300.446	3.319	10	20	DGCD	
CO[C@@H](C)c1nc(CNCc2cc(C)c(C)cc2O)cs1	267594998	BYOOIXJSIRYMHV-LBPRGKRZSA-N	306.431	3.463	10	20	DGCD	
OCCCN(Cc1ccccc1)Cc1cccc(Cl)c1O	271728743	MKQWZALHYUADKO-UHFFFAOYSA-N	305.805	3.430	10	20	DGCD	
Cc1cccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1O	271812865	LFUQUNMLXDNWNP-ASSNKEHSSA-N	303.427	3.289	10	20	DGCD	
C[C@@H](c1ccccc1)N(CCn1cncn1)Cc1ccccc1O	272096202	YYHDQRVEFYNJFL-INIZCTEOSA-N	322.412	3.247	10	20	DGCD	
C[C@@H](N[C@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1O	273479107	LQAUNUZFIYJHFY-NEPJUHHUSA-N	306.362	3.053	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCCCc2ccccc2)c1O	278902377	RGWPSONDBKESFJ-UHFFFAOYSA-N	316.357	3.031	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1	281575803	CWESIHPTQDEOSA-HZMBPMFUSA-N	311.809	3.248	10	20	DGCD	
CCC(CC)(CNC(=O)N(C)Cc1ccc(N(C)C)cc1)OC	293865465	XYALTWYBBZCXSZ-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
Oc1ccccc1CN(CC1CC(F)(F)C1)C[C@@H]1CCCO1	294877858	FRJVIPPAVDFANL-HNNXBMFYSA-N	311.372	3.419	10	20	DGCD	
CCN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])C1CCCC1	314205731	AGSSZJJUGFZKAP-CSKARUKUSA-N	304.346	3.462	10	20	DGCD	
CC[C@@H]1CCCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	314234272	HEEWRULQICNMSA-FNOHHLHBSA-N	304.346	3.462	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCN2C)[C@H]1C[C@H]2CC[C@H]1O2	386936454	GPLCEBIJTICMLM-VVHMCBODSA-N	300.446	3.115	10	20	DGCD	
CCN(CCN[C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C	390816919	NAASPDNYEHRKSR-CQSZACIVSA-N	320.433	3.226	10	20	DGCD	
C[C@H](O)C[C@H](C)NCc1cc(Cl)cc(Br)c1O	708097942	ATUDMRWGGNALMD-YUMQZZPRSA-N	322.630	3.057	10	20	DGCD	
COc1ccc(CC[C@H](C)NC(=O)c2cc(O)cs2)cc1	731871128	DPZKYMZUOHAHLI-NSHDSACASA-N	305.399	3.213	10	20	DGCD	
CN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])C(C1CC1)C1CC1	737500286	JJGHCPSULFHJNK-YCRREMRBSA-N	316.357	3.317	10	20	DGCD	
Cc1ccoc1/C=C1/SC(=S)N(c2cccnc2)C1=O	742346825	PXQIJUDFVREUJH-KPKJPENVSA-N	302.380	3.389	10	20	DGCD	
CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(F)ccc1O	742443755	OHTORMXTZUYVML-INIZCTEOSA-N	320.408	3.465	10	20	DGCD	
COC[C@H](C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1	755342040	HPBMKNAQGFMORE-MRXNPFEDSA-N	318.461	3.212	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1CC(C)(C)OC1=O	755727584	LUSZMJJXJOVIIP-UHFFFAOYSA-N	319.449	3.151	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(C)c(C)c1O	756710668	DWZKPKUKVSZVLT-WMLDXEAASA-N	315.413	3.402	10	20	DGCD	
C[C@@H]1CCCC[C@H]1OCCOC(=O)/C=C/c1ccc(O)c(O)c1	759789132	QAXJPXXTOPVGTO-QSQAAJAESA-N	320.385	3.250	10	20	DGCD	
O=C(NCc1ccccc1O)c1ncoc1-c1ccc(F)cc1	771417086	KQHWUPFVTJJFOU-UHFFFAOYSA-N	312.300	3.116	10	20	DGCD	
CC[C@]1(C)CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	774883702	ISBFWLGXDPMZRM-MRXNPFEDSA-N	308.378	3.321	10	20	DGCD	
Cc1nc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)oc1C	775434312	JQVRJCKZHDCNQL-NSHDSACASA-N	302.378	3.240	10	20	DGCD	
Oc1ccccc1CN(Cc1cncc(F)c1)C[C@H]1CCCO1	779148078	LZCKAWQOHRFVCK-QGZVFWFLSA-N	316.376	3.108	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@@H](Oc2ccncc2)C1	789771020	ZRCQZGANWQRQFI-CYBMUJFWSA-N	304.777	3.094	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](CO)NCc1c(O)ccc(Cl)c1F	790966410	OJGXXLPPQSDWMW-IAQYHMDHSA-N	323.795	3.439	10	20	DGCD	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C(C)C	791250540	RUVFNBLHMVVYGE-UHFFFAOYSA-N	320.433	3.031	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(Cl)ccc2F)c(O)c1	794376961	NSNBGVRFOJTMHO-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
COc1ccc2c(c1)OCCN(Cc1cccc(Cl)c1O)C2	802658974	BLHHSDSYEWNEME-UHFFFAOYSA-N	319.788	3.449	10	20	DGCD	
CCOC(=O)CC(C)(C)CCN[C@@H](C)c1cc(OC)ccc1O	805748637	PNFYFKKEVQMLLD-ZDUSSCGKSA-N	323.433	3.421	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCSC1	807838676	NXRYVYLGGLJCPF-ZETCQYMHSA-N	306.214	3.068	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)c1O	808684428	NVOXLMUEQPEZSH-MNOVXSKESA-N	312.841	3.308	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(F)c1O)[C@H](O)c1ccccc1	809786743	JYBKEOMHBUEHND-BONVTDFDSA-N	309.768	3.396	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	811790534	NCQJNAGBMYWQPW-OALUTQOASA-N	324.424	3.474	10	20	DGCD	
O=C(/C=C\c1cccnc1)NCc1cc(Cl)cc(Cl)c1O	813685953	WCVDDMMMQUIURO-ARJAWSKDSA-N	323.179	3.424	10	20	DGCD	
Cc1cc(CN(Cc2ccccc2)C[C@H](C)O)ccc1N(C)C	815052823	CFQQJZYMMLPDJG-KRWDZBQOSA-N	312.457	3.444	10	20	DGCD	
CC/C(C)=C(/C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819586334	NPLAGBOCSVNPTA-FCFCDCELSA-N	316.445	3.384	10	20	DGCD	
COc1cc(Cl)cc(CN2CCSC[C@@H]2C2CC2)c1O	824913763	FCNKRDOBNNGEDU-CYBMUJFWSA-N	313.850	3.382	10	20	DGCD	
Cc1nn(C)cc1[C@H](C)NCc1ccc(Br)cc1O	825247704	VYXCIQLMMWQLBL-VIFPVBQESA-N	324.222	3.047	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2CC3(CC3)C2)cc1F	826942112	MKSOEHKZSZPWRM-UHFFFAOYSA-N	304.409	3.478	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1	832898245	FWVXJLZWPLLYQW-CYBMUJFWSA-N	323.801	3.401	10	20	DGCD	
COc1cc(O)c(CNC[C@@H]2CCC[C@@H]2C2CC2)cc1OC	840954719	MSQCGOCRZUKMCO-DZGCQCFKSA-N	305.418	3.325	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC([C@@H]2CCCN2)CC1	843044712	GDAGPYUWYFPJNK-HNNXBMFYSA-N	312.816	3.149	10	20	DGCD	
COc1cccc([C@@H](C)NCCn2cnc3ccccc32)c1O	846142866	WRKOHBAKRNBOBK-CYBMUJFWSA-N	311.385	3.101	10	20	DGCD	
Cc1cc(C(=O)N(C)[C@@H](C)CCO)c(C)n1-c1ccc(F)cc1	846600995	OTDBBCWWXXAZGC-LBPRGKRZSA-N	318.392	3.076	10	20	DGCD	
CCc1cccc(CN[C@H](CO)c2c(F)cccc2F)c1O	848896682	HEZRSBMOMGVVHQ-OAHLLOKOSA-N	307.340	3.056	10	20	DGCD	
COc1cc(CNC[C@@H]2CCCC[C@H]2O)c(O)c(C(C)(C)C)c1	850155270	RNHAMUBHVBFVAG-SUMWQHHRSA-N	321.461	3.339	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)c1O	859411808	NHERVUJFKZDDMG-UWVGGRQHSA-N	315.335	3.457	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C)[C@@H](O)C(F)(F)F)c1O	866463168	KMENWGFHYRTGSS-JOAULVNJSA-N	311.731	3.316	10	20	DGCD	
Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c(O)c1	876809184	XEOYFNXIRGUXIR-NVXWUHKLSA-N	301.386	3.382	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cccc(Cl)c2N)c1	877533017	JPELXAXVRPZIOZ-JTQLQIEISA-N	306.793	3.487	10	20	DGCD	
CC[C@@](NCc1ccc(C)cc1O)(C(=O)OC)c1ccccc1	877674803	KOAIOMBZMQJOHM-IBGZPJMESA-N	313.397	3.269	10	20	DGCD	
C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1c(O)cccc1F	886497013	OMNVTMQAALMNCB-GFCCVEGCSA-N	316.376	3.084	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@@H](C)c2c(O)cccc2F)cc1	886543493	PSIXCZJEJUFXLB-LRDDRELGSA-N	319.376	3.314	10	20	DGCD	
C[C@@H](N[C@H](CCO)C(F)(F)F)c1cc2c(cc1O)CCCC2	886801623	PXAIGEHCZBYTBS-MEBBXXQBSA-N	317.351	3.235	10	20	DGCD	
Cc1cc(C(F)(F)F)nn1CCN[C@H](C)c1ccccc1O	903165993	ZSOSDSDRQKNHDP-LLVKDONJSA-N	313.323	3.267	10	20	DGCD	
O=[N+]([O-])c1cc(CNCc2ccoc2)ccc1N1CCCCC1	916845672	BOQMJAJWUMQSFI-UHFFFAOYSA-N	315.373	3.468	10	20	DGCD	
COCCC1(NCc2c(O)cccc2Br)CCC1	1118908554	CPIRHPIHYWDBMR-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CNc2ccccc21	1340044274	JWXHRTHOQFNQEK-GOSISDBHSA-N	321.424	3.112	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCOCC12CCCC2	1341568680	AUGMLXMQMPBMEZ-UHFFFAOYSA-N	300.446	3.432	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nccc(Cl)c1F	1343128449	YJJLBVIGAQXCOS-UHFFFAOYSA-N	321.783	3.212	10	20	DGCD	
CN(Cc1ccc(C(N)=O)cc1)Cc1ccc2ccccc2c1O	1347710368	XKHQSDCVGUQEGR-UHFFFAOYSA-N	320.392	3.276	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CNC[C@H]2c2ccccc2)cc1Cl	1579638454	XWESSPODWIJRPS-DOTOQJQBSA-N	316.832	3.199	10	20	DGCD	
O=C(O)[C@H]1Cc2ccccc2N(Cc2ccc(Cl)cc2O)C1	1608654733	MEYBXFLIVYICQI-ZDUSSCGKSA-N	317.772	3.309	10	20	DGCD	
CCC(F)(F)C(C)(C)CNCc1ccc(C(=O)O)cc1O	1776720800	YIMUETQSOPOXKA-UHFFFAOYSA-N	301.333	3.252	10	20	DGCD	
COc1ccc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	23233612	SVVBNMVVTBQPTN-UHFFFAOYSA-N	313.401	3.425	10	20	DGCD	
CN(Cc1cccs1)C(=O)NCc1ccc(N(C)C)cc1	27341320	IXZHVUAHICOTER-UHFFFAOYSA-N	303.431	3.156	10	20	DGCD	
O=C1NC(=O)c2ccccc2/C1=C\c1ccc(N2CCCC2)cc1	31644244	FQPCNLIOZJSTTO-QGOAFFKASA-N	318.376	3.097	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCCOC1CCCCC1	45148369	DUMRRLNKRPUVRR-UHFFFAOYSA-N	320.433	3.273	10	20	DGCD	
CN(Cc1ccco1)C(=O)NCc1ccc2c(c1)CCCN2C	57662117	GSBZZYWASGGVSH-UHFFFAOYSA-N	313.401	3.004	10	20	DGCD	
COc1ccc(N(C)CCOc2ccccc2OC)cc1OC	63617957	WRGPFJBYUCMDTA-UHFFFAOYSA-N	317.385	3.228	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1ccccn1	66697433	WXINHPKTCJWUBE-CQSZACIVSA-N	313.401	3.470	10	20	DGCD	
Cc1cc(C(=O)N(C)c2nccs2)c(C)n1-c1ccccn1	68451602	IYHXGWULLQJHNK-UHFFFAOYSA-N	312.398	3.222	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCc2ccncc2)cc1	79713243	HLZXYCPOMNPYEL-UHFFFAOYSA-N	311.429	3.177	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c(F)cccc1F	87024010	WUUVBWMLZHTGOT-UHFFFAOYSA-N	318.367	3.232	10	20	DGCD	
COc1ccc(N(CC(=O)N(C)C2CC2)Cc2ccccc2)cc1	112976331	IBVWJMMVLRIOII-UHFFFAOYSA-N	324.424	3.323	10	20	DGCD	
CCCN(CC(F)F)C(=O)NCc1ccc(N(C)C)cc1C	115855026	NCTDHPSMHUYUDZ-UHFFFAOYSA-N	313.392	3.248	10	20	DGCD	
CN(Cc1ccccc1O)Cc1c(Cl)nc(Cl)n1C	120063369	PEGZVYWYRFJXLS-UHFFFAOYSA-N	300.189	3.065	10	20	DGCD	
CCOc1cccc(CNc2cccc(CN(C)C)c2)c1O	121756745	ARFUZQWFPHSQGV-UHFFFAOYSA-N	300.402	3.465	10	20	DGCD	
COC1CCC(CC(=O)NCc2ccc(N(C)C)cc2C)CC1	134944201	RYEKBKUOZMBJDK-UHFFFAOYSA-N	318.461	3.273	10	20	DGCD	
CCCCSCCC(=O)N1CCOc2cc(N(C)C)ccc21	173205634	DFCGQRRLBRMICP-UHFFFAOYSA-N	322.474	3.401	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	180020545	MXECQFYRMNKPBQ-UONOGXRCSA-N	322.424	3.048	10	20	DGCD	
CN(CCCCC(=O)O)Cc1ccc(N2CCCCC2)cc1	181579854	KBQOTWNXSKLQQB-UHFFFAOYSA-N	304.434	3.364	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC2CCN(CC(C)C)CC2)c1	184972786	CQPGXPNMJANHNZ-CQSZACIVSA-N	306.450	3.172	10	20	DGCD	
Cc1ccc([C@@H](C)NCCC(=O)NCc2ccccc2)c(O)c1	185252745	MTPYJOUTWIYSLH-OAHLLOKOSA-N	312.413	3.058	10	20	DGCD	
C[C@@H](NCCCCNc1ccccn1)c1ccc(F)cc1O	185325442	MRJZNWAGKMBTNI-CYBMUJFWSA-N	303.381	3.469	10	20	DGCD	
C[C@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1O	187668303	SLWAMUIRHJUYQT-LKFCYVNXSA-N	311.303	3.194	10	20	DGCD	
Cc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1O	195554714	WQDMEVVOBJEASB-UHFFFAOYSA-N	310.397	3.231	10	20	DGCD	
COCCOc1ccc(NCc2cc(OC)ccc2O)cc1	237165890	VSVQZNQEXHLXJN-UHFFFAOYSA-N	303.358	3.038	10	20	DGCD	
CCCOc1ccc(CNCC2(CCO)CCCC2)c(O)c1	266646770	WLGDBDYOAVSIBX-UHFFFAOYSA-N	307.434	3.213	10	20	DGCD	
CCCOc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1	269216069	DVRQDMPULVCWBA-CQSZACIVSA-N	312.413	3.478	10	20	DGCD	
COc1ccc2c(c1)[C@@H](NCc1cc(F)ccc1O)CCO2	274377011	FKVNTWYRTBBGHI-HNNXBMFYSA-N	303.333	3.153	10	20	DGCD	
C[C@H](NC[C@H](O)CCc1ccccc1)c1ccc(F)c(F)c1O	276904112	JMNAULHAZZTKPP-GXTWGEPZSA-N	321.367	3.315	10	20	DGCD	
CCCCN(CC(=O)N1CCCCC1)Cc1ccccc1O	282501970	QWKGKHJKCOPSOO-UHFFFAOYSA-N	304.434	3.007	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H]1CCN(c3ccccc3)C1)CC2	295989344	NPYWSVLNKVUKAC-QAPCUYQASA-N	308.425	3.496	10	20	DGCD	
Cc1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1	299522414	OSLWTGNMTIRKKM-UHFFFAOYSA-N	315.442	3.322	10	20	DGCD	
CCN(CC)c1ccc(CNc2ncnc(N)c2Cl)cc1F	302920697	ZLQUZSRZRHSTQE-UHFFFAOYSA-N	323.803	3.310	10	20	DGCD	
COc1cc(Br)cc(CNC[C@@H]2CC2(C)C)c1O	732821186	WGQMUHDVIFIZPS-JTQLQIEISA-N	314.223	3.299	10	20	DGCD	
Cc1ccccc1CC(=O)NCc1ccc2c(c1)CCCN2C	746811870	PPWVHHDITWUKKB-UHFFFAOYSA-N	308.425	3.236	10	20	DGCD	
COc1ccc(N2CCN(CCOCCC(C)C)CC2)cc1F	754178147	GGTCVFHCWYVFIH-UHFFFAOYSA-N	324.440	3.019	10	20	DGCD	
CC1CCN(CCN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)CC1	756412953	WMNGUPHMIWKGCM-ZFWWWQNUSA-N	306.425	3.401	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2Cc3ccccc32)c1	756535844	RUDPWPCKIPNHIK-IUODEOHRSA-N	311.381	3.169	10	20	DGCD	
Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)CO2	756760399	ONSHIRXUYFIQDY-XHDPSFHLSA-N	314.341	3.393	10	20	DGCD	
CCN(CC)CCOCCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	757675121	ZYBJTKDQRPVOJV-ZFWWWQNUSA-N	324.440	3.028	10	20	DGCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]2CCCC[C@H]21	768439151	ILEWYCVLSXVEGR-XJOINEQPSA-N	317.429	3.219	10	20	DGCD	
CCN(Cc1ccc(C)cc1)Cc1cc2c(cc1O)OC[C@H]2O	768441152	WHRLZWZBJQTWOU-GOSISDBHSA-N	313.397	3.149	10	20	DGCD	
CCCCC[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768462145	JXWSSEGVQGHWAD-YOEHRIQHSA-N	305.418	3.363	10	20	DGCD	
Oc1cc2c(cc1CN1CCC3(CCOCC3)C1)CCCC2	768465806	LWXUAVFFQAWKDU-UHFFFAOYSA-N	301.430	3.274	10	20	DGCD	
C[C@@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1	773012595	WOMURQYWVNDYCB-ACJLOTCBSA-N	302.393	3.276	10	20	DGCD	
CC(C)N(C(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C	774483971	NXTQKCXDIZJEQT-HOTGVXAUSA-N	319.493	3.437	10	20	DGCD	
CC(C)[C@H](C)N(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1	775637299	ONUJEFQJIOMOFM-KRWDZBQOSA-N	315.505	3.447	10	20	DGCD	
CCCN(CCC)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775834181	LEIXCONQSVTPRH-OAHLLOKOSA-N	305.466	3.052	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@H]1CCCCS1	783576430	LZRIQYSKWHDIHM-SNVBAGLBSA-N	302.490	3.027	10	20	DGCD	
CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(O)cs1	784814017	VTXLHJGSWCSUHD-KRWDZBQOSA-N	319.426	3.257	10	20	DGCD	
COc1cc(Cl)cc(CNC(C)(C)C2CCOCC2)c1O	787331026	COQYROQOJHHSIA-UHFFFAOYSA-N	313.825	3.349	10	20	DGCD	
CC[C@@H](NCc1cnn(CCOC)c1)c1cc(Cl)ccc1O	800495085	KNYNZWQARZDWTC-OAHLLOKOSA-N	323.824	3.129	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CC[C@H]3C3CC3)cc2F)CC1	806133288	KUABYQHDDRENSP-WMZOPIPTSA-N	318.436	3.065	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CCC(F)(F)CC1	808094805	FEPIBRVMSZBOOI-UHFFFAOYSA-N	318.360	3.320	10	20	DGCD	
CCC(CC)(CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OC	813717849	AJKSCRLHVJIJEL-AWEZNQCLSA-N	321.465	3.318	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1cc(Br)ccc1O)C1CC1	815651479	UUPQBWOZSCTOCF-XPTSAGLGSA-N	314.223	3.230	10	20	DGCD	
CC[C@H](NCc1nn(CC)nc1C)c1cc(Cl)ccc1O	818344276	BGTZHNDQBVKJPB-ZDUSSCGKSA-N	308.813	3.206	10	20	DGCD	
O[C@@H](CNCCCSc1nccs1)c1ccc(F)cc1	819062088	BEKXMZMFBHGTCI-ZDUSSCGKSA-N	312.435	3.088	10	20	DGCD	
CCC[C@@H](OC)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	822270213	ZCTBPCJZNARKST-QGZVFWFLSA-N	306.450	3.306	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@@H](C)CC(C)(C)O)c1	824702804	QNNKNABSQWBTFZ-JTQLQIEISA-N	316.239	3.102	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C[C@@]1(C)CC1(Cl)Cl	825481579	NWWJFHVCPAOIKR-ZDUSSCGKSA-N	302.201	3.325	10	20	DGCD	
Fc1cc(CN2C[C@@H]3CCCC[C@@H]32)ccc1N1CCOCC1	826538643	HWNHFNCFSBRQRB-RDJZCZTQSA-N	304.409	3.037	10	20	DGCD	
CN(C)c1ccc(/C=C\CN[C@@H](Cc2ccccc2)C(=O)O)cc1	840995944	XCMWEVWULYJASG-QBUQCISBSA-N	324.424	3.051	10	20	DGCD	
COc1cccc(CNc2cc(SC)nc(SC)n2)c1O	848662169	KPJSNLAQMZPYPA-UHFFFAOYSA-N	323.443	3.247	10	20	DGCD	
CCc1cccc(CNCCCn2cnc3ccccc32)c1O	848891304	OQVLNPGJGINPPL-UHFFFAOYSA-N	309.413	3.484	10	20	DGCD	
COC(=O)N(C)CCN[C@H](C)c1ccc(N2CCCCC2)cc1	850550118	LGAFYYOXKBQMSO-OAHLLOKOSA-N	319.449	3.026	10	20	DGCD	
Cc1cc(C(=O)O[C@@H](C)c2nccn2C)c(C)n1-c1ccccn1	851580853	MCQDEYCPLQAZDW-AWEZNQCLSA-N	324.384	3.141	10	20	DGCD	
COC(=O)NC1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1	853625365	RPGCXPZAHACDQA-UHFFFAOYSA-N	320.433	3.144	10	20	DGCD	
Cc1ccc(O)c(CNCc2ccc(O[C@H]3CCOC3)cc2)c1	858239077	HOLHCPBOMFHRBP-SFHVURJKSA-N	313.397	3.158	10	20	DGCD	
CCN(CCc1ccccn1)Cc1cc(F)c(N(C)C)cc1F	862232119	PWCVHRUAVLDELF-UHFFFAOYSA-N	319.399	3.490	10	20	DGCD	
COC[C@H]1CCCCN(Cc2cc(F)c(N(C)C)cc2F)C1	862333945	PZQUTIURTXVINH-ZDUSSCGKSA-N	312.404	3.279	10	20	DGCD	
Cc1ccc(CNc2ccccc2N2CCC(O)CC2)c(O)c1	877166811	ZHHKCQFHWKONOG-UHFFFAOYSA-N	312.413	3.274	10	20	DGCD	
Cc1cccc(O)c1CN[C@H](C)c1ccc2c(c1)CCC(=O)N2	877525450	DBFCYMKVZZJZHR-CYBMUJFWSA-N	310.397	3.436	10	20	DGCD	
C[C@@H](N[C@@H](Cn1ccnc1)C(C)(C)C)c1c(O)cccc1F	886509028	XWCOPKKRIAKOCZ-DOMZBBRYSA-N	305.397	3.493	10	20	DGCD	
C[C@@H](NC1CCN(c2nccs2)CC1)c1c(O)cccc1F	886605822	ZHTPETGLJNJTMJ-LLVKDONJSA-N	321.421	3.307	10	20	DGCD	
COc1cc(C)cc(CNc2cnn([C@@H](C)C3CC3)c2)c1O	894493822	DQEMWEDTOXYVOC-LBPRGKRZSA-N	301.390	3.489	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C(=O)O)C1	902014804	GPCNROZPTMWEBR-CRAIPNDOSA-N	316.445	3.362	10	20	DGCD	
O[C@@]1(CCNCc2ccc3c(c2)CCCO3)C[C@H]2CC[C@H]1C2	922140955	WDHWCNJMHMYESG-FNHZYXHNSA-N	301.430	3.042	10	20	DGCD	
COc1ccc(O)c(CNc2ccc3c(c2)cc(C)c(=O)n3C)c1	1117686212	GRSOTTMEMWQLQJ-UHFFFAOYSA-N	324.380	3.173	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(OCC2CC2)nc1)c1ccccc1O	1119049091	HEFFZZHNCYQPJB-GFCCVEGCSA-N	312.369	3.067	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@@H]2CCC(C)(C)C2)cc1C	1133536658	BBUAGALVLGMJNL-MRXNPFEDSA-N	318.461	3.036	10	20	DGCD	
CC[C@@H](C)C(=O)NCC[C@H](C)NCc1ccc(OC)c(C)c1	1266127403	GCGJJUDXZDPCKY-HIFRSBDPSA-N	306.450	3.034	10	20	DGCD	
CCOc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1	1320521303	IHJOBXDXGWHKFH-CYBMUJFWSA-N	313.401	3.037	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@@H]1[C@@H]1CCCO1	1321942995	DQUVYWOWOJYUJA-MOPGFXCFSA-N	300.446	3.430	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1	1325022431	FDWVVIRQJVSIFL-VQTJNVASSA-N	312.457	3.430	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnoc2C(C)C)c1	1351666642	MWHQBTCDLZQGTJ-SNVBAGLBSA-N	304.346	3.003	10	20	DGCD	
O=C(CC1CC(c2ccccc2)C1)NCc1cccc(O)c1O	1520510094	WILBVWCMBIMYRG-UHFFFAOYSA-N	311.381	3.298	10	20	DGCD	
C[C@H](NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1cc(C(=O)O)ccc1O	1593251726	KSFDAOGGPFAFCW-GIYVSIDVSA-N	323.392	3.327	10	20	DGCD	
CCc1ccc(CCN(C)c2ccc(OCC(=O)O)cc2)cc1	1597523618	ZMAXTUAOUQYAGB-UHFFFAOYSA-N	313.397	3.391	10	20	DGCD	
O=C(O)Cc1cccc(NCc2c(O)ccc(Cl)c2F)c1	1602141235	ZIVJIVRDZMCLDU-UHFFFAOYSA-N	309.724	3.424	10	20	DGCD	
CC[C@@H](C)[C@H](NCc1ccc2c(c1)CCCN2CC)C(=O)O	1776690155	FIQXVHQRTQIMQQ-DYVFJYSZSA-N	304.434	3.048	10	20	DGCD	
CCCOc1ccc(CNC2CC3(C2)C[C@@H]3C(=O)O)cc1C	1776820015	DYDYTWNZTXQHQF-SWKXRBFHSA-N	303.402	3.127	10	20	DGCD	
CCCOc1c(/C=C2\SC(=S)NC2=O)cccc1OCC	5128461	YUYRKWPMSILWJK-XFXZXTDPSA-N	323.439	3.363	10	20	DGCD	
CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2C)SC1=S	6178281	BJAXERUCTBSFNR-MDWZMJQESA-N	323.439	3.233	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(C)n1	70899908	OSABZEKGWPXCNK-UHFFFAOYSA-N	317.458	3.109	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(F)cc1F	75159495	MUYBAVPWDWPCCV-UHFFFAOYSA-N	317.335	3.479	10	20	DGCD	
CCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1	80357802	MREBVLLMEQCVCE-UHFFFAOYSA-N	305.399	3.454	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCCO1	87204303	YLNUHGOHVVESDM-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
COc1ccc(O)c(CNc2ncnc3sc(C)cc23)c1	90092980	XZMIFIOQBGUIDQ-UHFFFAOYSA-N	301.371	3.326	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	130683032	XBZAUOYMKZOTHC-YTQUADARSA-N	322.408	3.262	10	20	DGCD	
CC(C)CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	145530134	SCKFBIVAEITXPK-HNNXBMFYSA-N	304.434	3.137	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N[C@H](C)c2cccs2)cc1	150733046	XTWHNFRCDWIDTN-CYBMUJFWSA-N	318.442	3.460	10	20	DGCD	
CCCC[C@@H](COC)N[C@@H](C)c1ccc(N2CCOCC2)cc1	155328788	LDCHIDWKEYUXAS-WMZOPIPTSA-N	320.477	3.379	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC3(CCCC3)C2)cc1	173295082	CWWFGXZTECZDBU-UHFFFAOYSA-N	301.434	3.228	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1cc(F)c(O)c(F)c1	175321379	AXOAMGVUMPXUEP-XYOKQWHBSA-N	324.352	3.127	10	20	DGCD	
Cc1cc(C(=O)OCC[C@@H]2CCCO2)c(C)n1-c1ccccn1	177925107	JOUMRBPFFBTEFG-HNNXBMFYSA-N	314.385	3.215	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2ccc3c(c2)OCO3)c1	184896829	DBFVMEOOQMCXOW-GFCCVEGCSA-N	315.369	3.023	10	20	DGCD	
CC[C@@H](N[C@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1O	186750571	BKRQDCHWJYWJSA-CZUORRHYSA-N	320.433	3.300	10	20	DGCD	
CC[C@H]1[C@H](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	188553738	RITAOGBMYIREOS-DOMZBBRYSA-N	307.413	3.222	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cccc(F)c1F	189434671	VDMSASJLVXCEAB-UHFFFAOYSA-N	313.325	3.034	10	20	DGCD	
Nc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1	228391654	VAYTXDYJYXOGJR-OLZOCXBDSA-N	300.324	3.254	10	20	DGCD	
CCc1cnc(CNCc2ccc3c(c2)CCCN3C)s1	230142444	CTCNJVLTXZHBHO-UHFFFAOYSA-N	301.459	3.378	10	20	DGCD	
COc1ccc(O)c(CNc2cc(C(=O)N(C)C)ccc2C)c1	237206528	DQSBOBOEQANVDB-UHFFFAOYSA-N	314.385	3.023	10	20	DGCD	
Cc1cc(Br)cc(CN2C[C@@H](C)OC[C@H]2C)c1O	245856642	NRYGLPVKANIVOX-GHMZBOCLSA-N	314.223	3.072	10	20	DGCD	
COc1ccccc1C[C@@H](C)CC(=O)NCc1ccccc1O	264484494	YJPPLYIILHTUGP-CQSZACIVSA-N	313.397	3.286	10	20	DGCD	
COc1cccc(CN2CC[C@@H](COc3ccccc3)C2)c1O	272470018	ABJYJJVDYUGOQL-OAHLLOKOSA-N	313.397	3.302	10	20	DGCD	
Cc1cccc(C(=O)NCCN[C@H](C)c2ccc(C)cc2O)c1	273443714	ZFFRFKNXGCBZKG-OAHLLOKOSA-N	312.413	3.090	10	20	DGCD	
C[C@H](NC[C@]1(N(C)C)CCSC1)c1cc(Cl)ccc1O	273563829	IVNMBXULYSTONU-XHDPSFHLSA-N	314.882	3.134	10	20	DGCD	
C[C@H](NCCc1cn2c(n1)SCC2)c1cc(Cl)ccc1O	274349749	GALBTPHUBUDPBS-JTQLQIEISA-N	323.849	3.241	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCCC23CCOCC3)cc1F	282545561	CLOJKWLJZJAGIU-KRWDZBQOSA-N	306.425	3.331	10	20	DGCD	
Cc1cccc(CN[C@@H]2CCN(c3ccccc3F)C2)c1O	292864109	VRBIKLFUXLPIEA-OAHLLOKOSA-N	300.377	3.208	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCC(=O)NC2CCCCC2)c(O)c1	293232588	AXMHRFFDTRRIFL-OAHLLOKOSA-N	318.461	3.499	10	20	DGCD	
Cc1noc(C2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)n1	293491393	NAUVSDQSXQRKQE-UHFFFAOYSA-N	314.433	3.132	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3ncn(C)n3)c2C)c1	294747850	YRQIZPUNHKOGKO-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
CCN(CC)c1ccc(CNCCCN2CCCCC2)cc1	314034578	CRNGQNYSUPTGBK-UHFFFAOYSA-N	303.494	3.498	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1	323778022	ZJLOOBHHCLWESZ-KQYOJSHESA-N	316.357	3.319	10	20	DGCD	
Cc1c(CNC(=O)c2cn3ccnc3s2)n(C)c2ccccc12	348702783	BLYYPQWRIQODRW-UHFFFAOYSA-N	324.409	3.126	10	20	DGCD	
CSCC[C@@H](C)NCc1ccc(Br)cc1O	691469015	VRHVDXTZSFAUCQ-SECBINFHSA-N	304.253	3.386	10	20	DGCD	
O=C(O)CN(Cc1ccccc1)Cc1c(O)cccc1Cl	692416272	UQYAOOZMJFRRGE-UHFFFAOYSA-N	305.761	3.132	10	20	DGCD	
Oc1cc2c(cc1CNC1(c3ccc(F)cc3)CC1)OCO2	729685417	ABPUIRPGIRGGQU-UHFFFAOYSA-N	301.317	3.039	10	20	DGCD	
Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc(O)cs1	732277322	DVXAEROGEOTICK-LBPRGKRZSA-N	305.399	3.268	10	20	DGCD	
CCc1cc(NC2CCN(c3ccc(OC)cc3)CC2)ncn1	733191303	VLRRXAPQAVCNOI-UHFFFAOYSA-N	312.417	3.129	10	20	DGCD	
Cc1ccc2nc(CNCc3c(O)cccc3Cl)cn2c1	733326954	IWEZDKSJEAXRNJ-UHFFFAOYSA-N	301.777	3.292	10	20	DGCD	
C[C@H]1CCC[C@@H]1NC(=O)NCc1c(O)ccc2c1CCCC2	743590333	FQJOVMULGYPRNW-LRDDRELGSA-N	302.418	3.259	10	20	DGCD	
CCOC(=O)/C=C/CSc1ncc(-c2ccccc2)n1C	755626694	PTOBFRQRUJLNEV-JXMROGBWSA-N	302.399	3.299	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2nnc(C(C)C)s2)c1	756639795	FOPLTMUNLXNHRW-JTQLQIEISA-N	307.419	3.227	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(C3CC3)CCC2)c1	756767937	HGAORPGAMNUUPY-GFCCVEGCSA-N	303.402	3.410	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](N3CCCC3)C2)cc1F	769228994	HPTNAODAKSFTFE-KRWDZBQOSA-N	319.468	3.342	10	20	DGCD	
CCNc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1	776269619	LQHILUWVXCVVNU-NSHDSACASA-N	318.446	3.132	10	20	DGCD	
CC[C@H](C)n1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C	791582962	KOLJSAPDPSUTDK-JYKYSHPRSA-N	315.373	3.226	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(C)c(F)c2)c(O)c1	797607218	JIKWMOUDDUEQCD-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
COCC[C@H]1CCC[C@H]1NCCCSc1nccs1	800479637	HRPAEJANWPSCLE-CHWSQXEVSA-N	300.493	3.420	10	20	DGCD	
Cn1ncc2c(Sc3ncc(C(C)(C)C)s3)ncnc21	800860489	PIRRUXRZOPGWTD-UHFFFAOYSA-N	305.432	3.269	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCSC1	807838675	NXRYVYLGGLJCPF-SSDOTTSWSA-N	306.214	3.068	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1O	808701823	JWKLOHAFBAEILM-MQIPJXDCSA-N	308.853	3.487	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NC[C@](C)(O)C(F)(F)F)c1O	808708571	NHHFOJZAXVZSFM-UFBFGSQYSA-N	311.731	3.318	10	20	DGCD	
COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc(O)cs1)C2	812358446	LXKHNLKDODXNAI-UHFFFAOYSA-N	315.394	3.150	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCCC(=O)C1	813385933	BTLJHSMQQAMOGD-MRXNPFEDSA-N	316.445	3.251	10	20	DGCD	
CC(C)[C@H](NCc1c(O)ccc(Cl)c1F)C1(CO)CCC1	814171653	SQERPBFWOKQZNL-HNNXBMFYSA-N	315.816	3.462	10	20	DGCD	
CN(Cc1nccs1)Cc1ccc(Br)cc1O	824849910	IPCOHPBALSWYAJ-UHFFFAOYSA-N	313.220	3.243	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@H]1NCc1c(O)cccc1Cl	827750161	AILGYSJMHCWSNC-GDBMZVCRSA-N	311.809	3.257	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNc1nc2n(n1)CCCC2	834482667	PAVBQPYFFYQJFT-UHFFFAOYSA-N	313.188	3.239	10	20	DGCD	
CC[C@H](NC(=O)NCc1cc(OC)ccc1O)C1CCCC1	838474760	QIUFBMYVHHIGJC-HNNXBMFYSA-N	306.406	3.169	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCOCC(C)C	839916456	TZBKLNSHBGQWEB-MRXNPFEDSA-N	320.477	3.171	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1CN	841100273	AQYPQJARHGPTTP-FUHWJXTLSA-N	301.478	3.094	10	20	DGCD	
C[C@H](NC[C@@]1(N(C)C)CCSC1)c1ccc(Cl)cc1O	841756227	WCILOQGULPEAJA-NHYWBVRUSA-N	314.882	3.134	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H]3OCC[C@@H]3C2)c1	842626148	UQLBTHVYAPCBPQ-WBMJQRKESA-N	305.418	3.006	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O	842885374	ONBGYXGQQOQXRO-KGLIPLIRSA-N	324.852	3.486	10	20	DGCD	
CCN(Cc1ccc2nonc2c1)c1ccc(OC)c(OC)c1	846823609	SHTIKNJRBBTATF-UHFFFAOYSA-N	313.357	3.267	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1	858162194	RTYOMQXJFXYNCM-CVEARBPZSA-N	314.360	3.195	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2ccc(C=O)cc2)cc1	858604893	LZRJLQRCGYACGH-UHFFFAOYSA-N	324.424	3.204	10	20	DGCD	
CCOC[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1	862245296	MIADBYSIDGLGIF-ZDUSSCGKSA-N	312.404	3.279	10	20	DGCD	
CC[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)=O	873343273	OYUDCQUAWUZZAM-OAHLLOKOSA-N	300.358	3.014	10	20	DGCD	
COc1ccc(CN(C)Cc2cccc(F)c2)c(O)c1OC	891470873	RLVVBMJBHVGLGI-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
COCCN(Cc1cccs1)Cc1cc(C)cc(OC)c1O	893910661	HRVKAJJBNGPUOX-UHFFFAOYSA-N	321.442	3.419	10	20	DGCD	
COCCN(Cc1cccs1)Cc1cc(F)cc(F)c1O	893911683	QNOAKEXOKIXYGB-UHFFFAOYSA-N	313.369	3.381	10	20	DGCD	
COc1cc(C)cc(CNCCc2ccc(Cl)nc2)c1O	894330952	ZNQGTBBMHFBCIV-UHFFFAOYSA-N	306.793	3.090	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN1CC(CC(F)F)C1	895055019	GHBBEAPWXHNBOW-UHFFFAOYSA-N	324.140	3.381	10	20	DGCD	
C/C(=C(\F)C(=O)NCCCSc1nccs1)C1CC1	900681994	DCCVLVTWLVQAEN-PKNBQFBNSA-N	300.424	3.395	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)OCC2CC2)cc1	920773249	LNQHIBJBPWUYOK-OAHLLOKOSA-N	318.461	3.306	10	20	DGCD	
CN(C)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)cc(F)c1O	1320640536	SJSVFOCVXOSFKO-UONOGXRCSA-N	300.805	3.147	10	20	DGCD	
NCCc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1	1521454220	GUPMHSUWDMVHET-UHFFFAOYSA-N	323.440	3.430	10	20	DGCD	
Cc1ccc(-n2cccn2)cc1NC(=O)NCc1ccc(N)cc1	1579655750	JZYIZNXXAZQXNO-UHFFFAOYSA-N	321.384	3.085	10	20	DGCD	
CC[C@@H]1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])[C@H]1C	1605173191	YHKVZESUYUIMKR-PDCNKGEESA-N	304.346	3.317	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CCC(C)C)C(=O)O)c(C)c1	1776856230	WZTKSAANAFYAKE-KRWDZBQOSA-N	306.450	3.430	10	20	DGCD	
CN(Cc1c(Cl)cccc1C(=O)O)c1ccc2c(c1)OCO2	1777065655	HPXFAHQLZPDQTC-UHFFFAOYSA-N	319.744	3.403	10	20	DGCD	
COc1ccc(CNCc2cccc(Br)c2O)cc1	48794713	IZVVBWPFCMXALL-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(F)ccc1O	77472341	KPBDALOVJIRCOF-CQSZACIVSA-N	306.724	3.381	10	20	DGCD	
c1ccc(CN2CCC(NCc3ccc4c(c3)CCO4)CC2)cc1	126975116	MWPNMJZNWWRQHE-UHFFFAOYSA-N	322.452	3.376	10	20	DGCD	
CCN1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)CCN2C	130182089	DOPWGSBAMHEXJG-GOSISDBHSA-N	307.397	3.265	10	20	DGCD	
Cc1cc(Br)cc(CNC2(C)CCOCC2)c1O	182654102	OTPASSRXZZSGIL-UHFFFAOYSA-N	314.223	3.122	10	20	DGCD	
COCCCN[C@H](C)c1cc(Br)cc(C)c1O	186912482	YAWWLVFRKQCKPI-SNVBAGLBSA-N	302.212	3.150	10	20	DGCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1	192155246	JQKIVIZXHKDLFX-UHFFFAOYSA-N	309.412	3.223	10	20	DGCD	
Cc1ccc(-n2nc(NC(=O)c3cccc(O)c3O)cc2C)cc1	193153150	PYXJHEPTCWSUQM-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)C12CCCC2	236998897	OYUMKYPDAJTNEJ-ROUUACIJSA-N	301.430	3.449	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CC[C@H]1C	237537661	ZUMAIONWXZOCMS-SOLBZPMBSA-N	302.462	3.438	10	20	DGCD	
CN1C(=O)/C(=C/c2csc(-c3ccccn3)n2)SC1=S	255839636	AFEBGWAFGQEBAM-POHAHGRESA-N	319.436	3.036	10	20	DGCD	
Cc1cccnc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	267473625	RKYLZGSJUBOPPK-UHFFFAOYSA-N	309.413	3.261	10	20	DGCD	
CCc1nc([C@@H](C)N[C@H](C)c2ccc(N(C)CC)cc2)n[nH]1	271499365	LXAJAVRPURYCRJ-CHWSQXEVSA-N	301.438	3.235	10	20	DGCD	
C[C@H](Cn1ccnc1)N[C@H](C)c1cc(Br)ccc1O	273372589	GKCZNCZUYVNANL-GHMZBOCLSA-N	324.222	3.091	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)c1cccc(F)c1)c1cc(F)ccc1O	273533275	WUXVQHMWWYFPGO-RVPKQNPDSA-N	307.340	3.443	10	20	DGCD	
CC[C@@H](C)[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F	278446463	FWDZNLVICMYWPZ-SKDRFNHKSA-N	304.312	3.168	10	20	DGCD	
C[C@@H]1CC=CC[C@H]1C(=O)NCc1cccc(Br)c1O	287069699	MQHDOUKMQRYEIV-ZYHUDNBSSA-N	324.218	3.373	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CC([C@H]2CCOC2)C1	369869211	YIGWPHJJGANIHX-KRWDZBQOSA-N	300.446	3.145	10	20	DGCD	
CN(C)[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1	373005009	CDNOZZGPNQOBLV-LLVKDONJSA-N	300.805	3.101	10	20	DGCD	
CCc1nc([C@@H]2CCCCN2Cc2cc(F)ccc2O)no1	376167897	UMIFWNZQQIYUDE-ZDUSSCGKSA-N	305.353	3.204	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	378917865	NDHKKPTXIKBKIK-HYJFEMIMSA-N	314.473	3.438	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)CCC2	437013273	ABWYDCWNYMKPBS-UHFFFAOYSA-N	322.408	3.281	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1c[nH]nc1-c1ccccc1	588407301	LDFSYBYOVWRGMJ-CLFYSBASSA-N	321.336	3.140	10	20	DGCD	
Oc1cccc(Br)c1CNCC(F)(F)C(F)F	706828605	JGWMMOYKXLLXGI-UHFFFAOYSA-N	316.092	3.145	10	20	DGCD	
Cc1ccc2c(CCNC(=O)NCc3ccccc3O)c[nH]c2c1	726251234	URFJYETYJJNNAN-UHFFFAOYSA-N	323.396	3.224	10	20	DGCD	
CC(=O)N1CCC(NCc2cc(-c3ccccc3)ccc2O)CC1	727644826	SYQWWLDRKWZZNC-UHFFFAOYSA-N	324.424	3.160	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CCN(C)C	729286284	JHZNRUXFZREQLN-GFCCVEGCSA-N	319.474	3.226	10	20	DGCD	
C[C@H]1CCC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C	729506952	ANKMYEAFTSOXDH-XJKSGUPXSA-N	301.434	3.057	10	20	DGCD	
COc1cc(C)c([C@@H](C)NC(=O)c2cc(O)cs2)cc1OC	732269616	GKRMNNAKBFYUIN-SNVBAGLBSA-N	321.398	3.270	10	20	DGCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)NCCC1=CCCCC1	732354109	ZXNJBPYJPVFYCB-LLVKDONJSA-N	323.414	3.006	10	20	DGCD	
CN(C)c1ccc(CNC(=O)/C=C\c2ccccc2F)cc1F	746798677	OHMOZVKGDLOQEP-NTMALXAHSA-N	316.351	3.360	10	20	DGCD	
Cc1ccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)cc1	746798693	QBBFAYNJZLGIQD-UHFFFAOYSA-N	300.377	3.059	10	20	DGCD	
O=C(CCn1cccc1)N(Cc1ccco1)Cc1ccccc1O	751066214	DRBSEMVGOZWREF-UHFFFAOYSA-N	324.380	3.406	10	20	DGCD	
CC[C@@H](CNC(=O)c1cc(O)cs1)Oc1ccccc1C	752815142	BCHAPAQZECXAOK-ZDUSSCGKSA-N	305.399	3.350	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)n[nH]1	752924594	HTYTWOZOCSUMII-NWDGAFQWSA-N	319.428	3.374	10	20	DGCD	
CC[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)N(CC)CC	764895871	XFMWFOYUTAKECG-GOSISDBHSA-N	319.493	3.222	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CCOC[C@@H]1CCCO1	766270831	UYRJNATUVXBERR-KRWDZBQOSA-N	305.418	3.034	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H](CO)CC(F)(F)F)cc1	773108301	WAGLRRNQTQIFOO-AAEUAGOBSA-N	304.356	3.107	10	20	DGCD	
C[C@H](NC(=O)N1CCCC2(CC2)C1)c1ccc(N(C)C)cc1	773616640	LBABDANZMQYJTK-AWEZNQCLSA-N	301.434	3.399	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H](c3nccn3C)C2)cc1	773895010	OZRGTFGIUKHHON-QGZVFWFLSA-N	312.461	3.256	10	20	DGCD	
COC(=O)N(C)c1ccc(NCc2cc(OC)ccc2O)cc1	775747697	MUBPKICROLOYAD-UHFFFAOYSA-N	316.357	3.216	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H]2CCCSC2)c1O	776231033	FOTUDCPHLGFBQQ-LBPRGKRZSA-N	316.264	3.448	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNc1cnc2c(c1)COCC2	777441926	PMUJFQPDQRRSCU-UHFFFAOYSA-N	308.740	3.265	10	20	DGCD	
CC(C)CC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779533118	WLVBWFVNTIPWPQ-XQRVVYSFSA-N	303.402	3.396	10	20	DGCD	
Cc1cnc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)c1	779885701	YYMXYNDNASISCV-UHFFFAOYSA-N	309.413	3.011	10	20	DGCD	
C[C@H](NCc1cc(-c2ccccc2)ccc1O)c1ncnn1C	788971957	RZUJZIIQQLEXCQ-ZDUSSCGKSA-N	308.385	3.039	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC(c2ccccc2F)CC1	790747267	VZHIBROOOUOKIU-UHFFFAOYSA-N	315.344	3.257	10	20	DGCD	
O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1O	790874334	COXKDKFASWNREZ-UWVGGRQHSA-N	317.307	3.196	10	20	DGCD	
CC(C)Cc1ncc(NC(=O)N(C)Cc2ccccc2O)cn1	791948685	GEVBBFIYINTDPB-UHFFFAOYSA-N	314.389	3.045	10	20	DGCD	
CCOc1ccc(N(CC)C[C@H]2CC3(CCC3)C(=O)O2)cc1	792247529	ODOOHVHQPJFJFR-MRXNPFEDSA-N	303.402	3.397	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCC[C@H]1C	798416746	PTJUFQWUQSJKSH-HIFRSBDPSA-N	303.450	3.296	10	20	DGCD	
CC1CCN(c2ccc(CNC(=S)NC3CCC3)cc2)CC1	814197271	VYVXKIRBTTUGRA-UHFFFAOYSA-N	317.502	3.440	10	20	DGCD	
C[C@H](NCc1ccc(CCN)cc1)c1cc(Cl)ccc1O	817947665	FCXFVHPQACAPOP-LBPRGKRZSA-N	304.821	3.398	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@@H](C)c2ccccc2O)s1	818358307	UDBUAKNICLKOEJ-UWVGGRQHSA-N	306.387	3.047	10	20	DGCD	
COc1ccc2c(c1)N(C(=O)c1cccc(O)c1O)CCCC2	819741772	GHZLPLSWOIQNMX-UHFFFAOYSA-N	313.353	3.090	10	20	DGCD	
Cc1ncoc1CNC(=O)c1sccc1-n1c(C)ccc1C	820233986	FPZXJWUCHQQLKZ-UHFFFAOYSA-N	315.398	3.382	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CO)cc1	824262022	QKFSHOKAMJCUSK-UHFFFAOYSA-N	324.424	3.099	10	20	DGCD	
C[C@@]1(CCNCc2cc3c(cc2O)OCO3)CC1(Cl)Cl	824970601	MBXNCFXQSDJENR-CYBMUJFWSA-N	318.200	3.185	10	20	DGCD	
CC(C)[C@@H]1C[C@H]1CNCc1ccc(N2CCOCC2)c(F)c1	824978400	VTSRUSRITVRHBG-HOTGVXAUSA-N	306.425	3.044	10	20	DGCD	
Cc1cc(O)c(CNCc2nccn2C(F)F)cc1Cl	825156346	UDTOGNDFYCPFTA-UHFFFAOYSA-N	301.724	3.235	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](O)CNCc1cccc(Cl)c1O	827733792	OHOJNGWSMLSTKV-MLGOLLRUSA-N	305.805	3.300	10	20	DGCD	
C/C(=C/C(=O)N1CCCc2ccc(C)c(F)c21)c1cnccn1	839440934	DJLAEEZZOOPZCH-RAXLEYEMSA-N	311.360	3.307	10	20	DGCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1ccoc1C	840917148	FPZFFJJVWUYUHN-UHFFFAOYSA-N	323.776	3.122	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H]1OCCc2sccc21	841299297	IUNDGNQFWVRFSY-MEBBXXQBSA-N	317.414	3.154	10	20	DGCD	
COCC1(CC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	843888078	DAJFPWURAQYEBT-UHFFFAOYSA-N	318.200	3.132	10	20	DGCD	
CC[C@@H](C)NC(=O)CN(C)c1ccc(-c2nccs2)cc1	846991970	MKSLWUINBWDUAT-GFCCVEGCSA-N	303.431	3.161	10	20	DGCD	
COc1cc(CN2CCC([C@H]3CCCCO3)CC2)c(O)cc1C	853572471	SUJKCRLGBZQNPG-GOSISDBHSA-N	319.445	3.490	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)CCCC3=O)c1	862755027	NJFPQCIRUJVQPA-UHFFFAOYSA-N	309.365	3.150	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C3CCC=CCC3)CC2)cc1	873779179	PYBKKIASILLLGA-UHFFFAOYSA-N	314.429	3.090	10	20	DGCD	
C[C@H](NC(=O)N1CCC[C@H](CF)C1)c1ccc(N(C)C)cc1	883582035	LFRFGZRPPAWBCW-UONOGXRCSA-N	307.413	3.205	10	20	DGCD	
COc1cc(C)cc(CNCc2nc3ccc(C)cc3[nH]2)c1O	894310021	FZABHIGYTAGZQK-UHFFFAOYSA-N	311.385	3.184	10	20	DGCD	
COc1ccc(N2CC[C@@H](NC[C@H](N)CCC(C)(C)C)C2)cc1	904376544	BCXOGKRXTIEEDJ-HZPDHXFCSA-N	319.493	3.017	10	20	DGCD	
C/C(=C/C1CCC(C)CC1)C(=O)NCc1ccc(O)cc1O	910945744	XFYACLONHQGMNN-LCYFTJDESA-N	303.402	3.487	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCCC[C@@H]1[C@@H](O)c1ccccc1	912101237	OSAMBYJWABVDRB-ZBFHGGJFSA-N	317.410	3.182	10	20	DGCD	
CN(C)c1ccc(CN(C)c2ncnc3ccc(F)cc23)cc1	917387733	JQDXRLBUGUJYHU-UHFFFAOYSA-N	310.376	3.471	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C1CC1)C1CC1	1319208904	PIHDLZWHQWAEPE-UHFFFAOYSA-N	314.429	3.304	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCc1cccc(C(N)=O)c1	1320419355	DUBXTSMVOXATJS-CZUORRHYSA-N	324.424	3.180	10	20	DGCD	
CN(C)c1ccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)cc1F	1323320501	BHODKBKJERBDRK-UHFFFAOYSA-N	315.348	3.316	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNC[C@H]1CCCCN1C1CC1	1324655199	ZGFPOUCEKIYWHZ-HXUWFJFHSA-N	313.489	3.393	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCCC2)cc1)C1(C(=O)O)CCC1	1609929855	BLCGYVPFJKKQSC-KRWDZBQOSA-N	316.445	3.410	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CC3(CCCC3)C2)c([N+](=O)[O-])c1	1610750439	JZMBFCBQDUNXAT-XQRVVYSFSA-N	302.330	3.073	10	20	DGCD	
CC(C)CSCCCN(C)c1ccc(OCC(=O)O)cc1	1776335008	RUJUVJLHNVHDNW-UHFFFAOYSA-N	311.447	3.366	10	20	DGCD	
CC1([C@@H](NCc2cc(Cl)cc(Cl)c2O)C(=O)O)CC1	1776514274	UVUHKVDAHMOJCA-NSHDSACASA-N	304.173	3.042	10	20	DGCD	
Nc1ccc(CC(=O)NCCc2ccc(Cl)cc2Cl)cc1	20185757	XOBJPJRZRVIANW-UHFFFAOYSA-N	323.223	3.477	10	20	DGCD	
C[C@H]1COCCN1Cc1c(O)ccc2oc3c(c12)CCCC3	54462370	BCCFUNYCZCLSLV-LBPRGKRZSA-N	301.386	3.238	10	20	DGCD	
Oc1cc2c(cc1CN(Cc1cccc(F)c1)C1CC1)OCO2	58529750	NEQGSSYKDJWTDE-UHFFFAOYSA-N	315.344	3.425	10	20	DGCD	
CO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1	61079181	BVDFSYUPQUUHFJ-SFHVURJKSA-N	312.413	3.099	10	20	DGCD	
O=C(C[C@H]1C=CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	71808909	ZJQOTHYXSXNVJW-DOTOQJQBSA-N	315.413	3.256	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CCO[C@H](C)CC(C)C)c1	88360177	UYVXUOOKDSSIOQ-KGLIPLIRSA-N	323.433	3.419	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H](N2CCCC2)CC1	93563846	GVUWRNONDFQPRC-MRXNPFEDSA-N	308.853	3.496	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)OC(C)(C)C	123282003	BQEHCUCIJRWYNH-OAHLLOKOSA-N	318.461	3.497	10	20	DGCD	
CCOCCN(CC)Cc1cc(Br)cc(C)c1O	124574826	ZQOSYNFUHBGVFE-UHFFFAOYSA-N	316.239	3.322	10	20	DGCD	
Cc1noc(C)c1[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1	125245416	GMCKZVIEWNARFS-GFCCVEGCSA-N	315.417	3.167	10	20	DGCD	
CC[C@H]1CN(Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1	178849192	ISNDMQXQPPFCDA-AWEZNQCLSA-N	307.434	3.309	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(N3CCCC3)nc2)cc1F	180772963	SSTGSCVZVGNIPJ-UHFFFAOYSA-N	315.392	3.466	10	20	DGCD	
CC[C@H](c1ccncc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	181108583	RUSSNRLKVYIQQS-KEDPEKRHSA-N	312.369	3.116	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cnn(-c3ccccc3)c2)c1	182461770	QWSLVNXSXDNNKA-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
C[C@@H](NCCSCCCO)c1cc2c(cc1O)CCCC2	185378964	QSFRAISEBOKNJH-CYBMUJFWSA-N	309.475	3.037	10	20	DGCD	
CCN(Cc1csc(NC(C)=O)n1)c1ccc(OC)cc1	266718074	GSNUTVQSTWUKPP-UHFFFAOYSA-N	305.403	3.137	10	20	DGCD	
CC(C)c1ccc(N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)cc1	275642841	KNMPLJLSLFHIAE-UHFFFAOYSA-N	323.400	3.210	10	20	DGCD	
CC1(C)CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1O	276108549	ZUELAGZGJPWHMH-LBPRGKRZSA-N	304.217	3.292	10	20	DGCD	
CC[C@H](C)CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	285412889	KKOGNFBPONUUON-INIZCTEOSA-N	318.461	3.308	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@@H]2CCc3cccc(O)c32)cc1	296865831	NTEGVVCYVKQPAQ-IAGOWNOFSA-N	313.397	3.101	10	20	DGCD	
CO[C@@H]1CCC[C@@H](C(=O)NCc2c(C)c3ccccc3n2C)C1	352078691	ALWODGLLDGIXFY-HUUCEWRRSA-N	314.429	3.308	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CN(C)Cc3ccccc32)c1	370376190	XDDZTXHKNZYWNC-FZKQIMNGSA-N	312.413	3.238	10	20	DGCD	
Cc1nc([C@@H]2CCCCN2Cc2cc(C)c(C)cc2O)no1	372840073	UGRPQSVWBVBOHN-HNNXBMFYSA-N	301.390	3.428	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN[C@@H]1CCc2c[nH]nc2C1	374541119	JFFKQTLUOKTOGH-QGZVFWFLSA-N	310.445	3.047	10	20	DGCD	
Cc1cc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)o1	588404592	DGPAWKHTPNBZKL-JPVGGKMYSA-N	301.342	3.198	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CC3(CCC3)c3c(F)cccc32)cn1	726151277	DGHCCRGZGHOXJD-VOTSOKGWSA-N	311.360	3.041	10	20	DGCD	
Cc1cc(NC(=O)c2sccc2-n2c(C)ccc2C)n[nH]1	733358906	QJUXHZVYWBTDTJ-UHFFFAOYSA-N	300.387	3.439	10	20	DGCD	
Cc1cc(O)c(CN2CCC(C3OCCO3)CC2)cc1C(C)C	738138215	KVVQONZESLZJSF-UHFFFAOYSA-N	319.445	3.409	10	20	DGCD	
CCc1ccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)cc1	741551528	FSWCVAMFQLNZEY-UHFFFAOYSA-N	314.404	3.313	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c(O)c1	742390514	JKAGNXZFPZVKMT-NSHDSACASA-N	319.405	3.322	10	20	DGCD	
CC1(CC(=O)NCc2ccc(N3CCSCC3)cc2)CC1	757856479	ZUCKLUZYIDOASZ-UHFFFAOYSA-N	304.459	3.046	10	20	DGCD	
CCOc1ccc(CNCCSCC(F)(F)F)c(O)c1	769687874	CDILPCPXCJUYGA-UHFFFAOYSA-N	309.353	3.176	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H](CN3CCCC3)C2)cc1	773753962	NVVAZFBOMWLDBI-GOSISDBHSA-N	301.478	3.060	10	20	DGCD	
C[C@H](NC[C@H]1CCC=CO1)c1ccc(Br)cc1O	783309460	JHLOJHRZLUHTQE-CMPLNLGQSA-N	312.207	3.498	10	20	DGCD	
COc1cccc(CN[C@H](c2ccccc2)C(C)(C)CO)c1O	787770693	UYIAQSPLGFWQKX-GOSISDBHSA-N	315.413	3.250	10	20	DGCD	
C[C@H]1CCCN(C[C@H](C)NCc2c(O)ccc(Cl)c2F)C1	790956133	OHDKYFPGSCJGMT-RYUDHWBXSA-N	314.832	3.395	10	20	DGCD	
COc1ccc(CNC(=O)C(C)(C)c2ccc(F)cc2)c(O)c1	794373821	MQHHEFZCJVTSEQ-UHFFFAOYSA-N	317.360	3.134	10	20	DGCD	
CC[C@@H](N[C@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1O	806147755	MCVAHGSYARCWAT-PRHODGIISA-N	319.232	3.216	10	20	DGCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1nccn1-c1ccccc1	807811096	WQAJYMUIEUYPGO-LLVKDONJSA-N	313.382	3.130	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2c(c1)CCC2	808094321	JTEDEDMUPWMSNX-UHFFFAOYSA-N	316.397	3.297	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H]2CCN(C)C[C@@H]2C)cc1F	809766501	ZHYCBLLMVJZXTL-MAUKXSAKSA-N	321.484	3.444	10	20	DGCD	
Cc1cc(CN2CCOC[C@H](C3CCC3)C2)ccc1N(C)C	815121232	SZCVGAYQQUMKFZ-GOSISDBHSA-N	302.462	3.310	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)OC[C@H]3CCCO3)cc12	817151996	JGMKDZAZMTVSND-CQSZACIVSA-N	303.358	3.490	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C1CNC1	817932731	XKSUHXQOGNIFPY-KGLIPLIRSA-N	321.896	3.274	10	20	DGCD	
C[C@H](N[C@@H](CN)C1CC1)c1ccc(N2CCCCCC2)cc1	817959867	JSBXDQTZNBWJAZ-KXBFYZLASA-N	301.478	3.455	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2ccc(C)cc2O)s1	818357041	UUWCWMHQCBWRPC-WDEREUQCSA-N	320.414	3.356	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2)CCN(Cc2ccccc2O)C1	824976531	BVQQDCLIJLVWDL-QGZVFWFLSA-N	310.441	3.346	10	20	DGCD	
COC(=O)CC1(CC(=O)N[C@H](C)c2ccccc2O)CCCC1	827946529	KYXPLYDRSIANGF-CYBMUJFWSA-N	319.401	3.083	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H](C)CCO)cc1	833224022	ZIDWJVPWXJIDFF-CQSZACIVSA-N	314.429	3.233	10	20	DGCD	
COc1cc(CN(Cc2cnn(C)c2)CC(C)C)c(O)cc1C	840157263	UTMKCDXNJIENFS-UHFFFAOYSA-N	317.433	3.101	10	20	DGCD	
O=C1CC[C@H](c2cccc(N[C@H]3CCc4cccc(O)c43)c2)N1	840883052	CVTNVSCQQIWZOT-CVEARBPZSA-N	308.381	3.443	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@]1(CO)C[C@H]1c1ccccc1	840946432	JYFFPOVEGQOAJZ-SFTDATJTSA-N	324.468	3.317	10	20	DGCD	
CCOCc1cc(CNC[C@H](N)c2ccccc2)ccc1OC	841035571	IFRNCYPVVSBNGM-SFHVURJKSA-N	314.429	3.021	10	20	DGCD	
CCn1cncc1CNCc1ccc(N2CCC(C)CC2)cc1	841864595	ZXLWJZQOBRUCLY-UHFFFAOYSA-N	312.461	3.429	10	20	DGCD	
CO[C@H](CC(C)C)CN(C)Cc1ccc(N2CCOCC2)cc1	842149179	YDENECILUBGHHU-LJQANCHMSA-N	320.477	3.016	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1	850559229	YFNNXGSRUWZDKS-GJZGRUSLSA-N	318.461	3.307	10	20	DGCD	
CCC[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	852792692	ZSTXDVYGZKCBHK-FHLIZLRMSA-N	317.477	3.085	10	20	DGCD	
Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2O)sc1C	867835055	ZXHRAUBQIIYRGT-SNVBAGLBSA-N	311.428	3.110	10	20	DGCD	
CN(C)c1ccc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1	877857719	YOONNRLOQHXAAH-HNNXBMFYSA-N	303.450	3.008	10	20	DGCD	
C[C@H](NCCCN(C)CC(F)(F)F)c1c(O)cccc1F	886504239	XSNJIUZIQLUOKT-JTQLQIEISA-N	308.319	3.066	10	20	DGCD	
COCCOc1ccc(NCc2cc(C)cc(OC)c2O)cc1	894104163	OHOLAHDUAAIRIE-UHFFFAOYSA-N	317.385	3.347	10	20	DGCD	
COc1cc(C)cc(CNC2CCN(C3CCCC3)CC2)c1O	894324650	AHJCSPZFVKXZIX-UHFFFAOYSA-N	318.461	3.206	10	20	DGCD	
CC(C)[C@H](N[C@H](C)c1cc(Cl)ccc1O)c1nncn1C	903064069	KIXROOCIXSEZSF-YGRLFVJLSA-N	308.813	3.222	10	20	DGCD	
C[C@H](NCc1nc2c(s1)CCC2)c1cc([N+](=O)[O-])ccc1O	903191652	ZLFPIOJWSBHMRW-VIFPVBQESA-N	319.386	3.096	10	20	DGCD	
C[C@H](NC(=O)c1ccc(Cl)nc1F)c1ccc(N(C)C)cc1	907493234	PBWSQEBLVDIQLU-JTQLQIEISA-N	321.783	3.431	10	20	DGCD	
CNC(=O)c1cccc(CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)c1	1116585216	UBIHOUAWDWPURT-XJKSGUPXSA-N	324.424	3.398	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)C[C@@H](C)O)c1	1261224532	OBGJHWYICHGWCY-CYBMUJFWSA-N	320.820	3.200	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21	1320253022	OFDQYAKVDGEKEG-CABCVRRESA-N	318.461	3.487	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@H]1[C@@H]1CCCO1	1321942996	DQUVYWOWOJYUJA-OALUTQOASA-N	300.446	3.430	10	20	DGCD	
C[C@@H](N[C@H]1CCc2cc(N)ccc21)c1cc(C(=O)O)ccc1O	1593234433	ZZOUCERNYWKKEK-HWPZZCPQSA-N	312.369	3.011	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C(=O)O)C1	1594424420	SKZHSXZRMYMCEK-UFBFGSQYSA-N	318.200	3.384	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C(=O)O)c2ccc(F)c(C)c2)cc1C	1600286584	QWKRMHHWOHCBJS-KRWDZBQOSA-N	317.360	3.372	10	20	DGCD	
CC(C)c1ccc(O)c(CNCc2ccc(CC(=O)O)cc2)c1	1604002584	HDOVLXOBQCQEGE-UHFFFAOYSA-N	313.397	3.433	10	20	DGCD	
CN(C)c1ccc2c(c1)CN(Cc1ccc(C(=O)O)cc1)CCC2	1777041209	NIJKFYURIYHTGA-UHFFFAOYSA-N	324.424	3.399	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC2(c3nccs3)CCCC2)c1	116374524	ZVWDWQWDDRQXQT-UHFFFAOYSA-N	319.386	3.316	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F	113418791	RDPNOCRWRLVFNI-HUUCEWRRSA-N	317.335	3.433	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC1(O)CCCCC1	305132825	RWEJXUGJIDUWIX-UHFFFAOYSA-N	305.418	3.216	10	20	DGCD	
C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(N3CCCC3)cc2)C1	178194500	BJCYHLKVKVCCON-HOTGVXAUSA-N	316.445	3.170	10	20	DGCD	
COc1cc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)ncn1	121766039	CFZFOHKIPXXQKR-UHFFFAOYSA-N	324.359	3.399	10	20	DGCD	
OC[C@H](C1CC1)N(Cc1ccccc1)Cc1cc(F)ccc1O	184789169	CETKAZHHNRVLDK-GOSISDBHSA-N	315.388	3.304	10	20	DGCD	
CC(C)c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)n[nH]1	75159556	UEWVTFKUFNQAEF-UHFFFAOYSA-N	313.401	3.048	10	20	DGCD	
CNC(=O)C(C)(C)CN[C@H](C)c1ccc(Cl)c(Cl)c1O	186224097	YFLSSZCBLFLHAS-MRVPVSSYSA-N	319.232	3.122	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2coc(C3CCC3)n2)cc1F	194180373	NBWOEMVFFVRTKH-UHFFFAOYSA-N	317.364	3.077	10	20	DGCD	
O=c1[nH]c2ccc(NCc3ccc(N4CCCCC4)cc3)cc2[nH]1	323796455	ABGOKKCZBQGCGT-UHFFFAOYSA-N	322.412	3.459	10	20	DGCD	
CCN(C)c1ccc(CNCc2ccc3c(c2)CCCN3C)cn1	190907807	XMASVCPDROJDBU-UHFFFAOYSA-N	324.472	3.210	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CC=C(c2ccc(F)cc2)CC1	192899843	VMWGWGPRVFLLSC-UHFFFAOYSA-N	313.328	3.166	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(O)c1	192367556	VJVMUGHMHAUMQL-OAHLLOKOSA-N	312.413	3.080	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC2CCN(C)CC2)cc1	93089309	KBPFARQPLVEFCP-UHFFFAOYSA-N	303.494	3.306	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)C[C@@H]2CCCCO2)C2CC2)cc1	268006959	XVZKHZJYRROEQJ-SFHVURJKSA-N	316.445	3.203	10	20	DGCD	
CC[C@H](N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(C)cc1O	368446517	KYZSEFLXRUWGDU-QILLFSRXSA-N	305.418	3.079	10	20	DGCD	
CN(C)c1ccc(CNC[C@@]2(C)CCO[C@@H]2C2CC2)cc1F	368765180	MPOJKAWRUFNOAH-QZTJIDSGSA-N	306.425	3.187	10	20	DGCD	
CO[C@H]1CCC[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1	279669102	HLOPVKRXWMBZEU-HIFRSBDPSA-N	322.424	3.103	10	20	DGCD	
C[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1O	276997211	YRAWUODMFQJFGU-TVQRCGJNSA-N	307.344	3.132	10	20	DGCD	
CCN(CC)c1ccc(CNCC(C)(C)CC(=O)O)cc1F	277312841	NOXRMRNVEIHMKF-UHFFFAOYSA-N	310.413	3.262	10	20	DGCD	
CC[C@H](NCCCOC[C@@H]1CCCO1)c1ccc(F)cc1O	285771061	SUVXNPRPWZUFAM-HOCLYGCPSA-N	311.397	3.158	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1n[nH]c2c1CCC2	282369250	BZAFPGSFJFHCJR-UHFFFAOYSA-N	313.401	3.047	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1O	808706220	FFOKXCRKBLQJTC-YPMHNXCESA-N	324.852	3.404	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCCCCCOC)cc1	299336196	RLIADOULUWJSME-UHFFFAOYSA-N	321.465	3.149	10	20	DGCD	
CCOc1cccc(CN2CCOC[C@H](C3CCC3)C2)c1O	292796031	MWHHQNLLOJRYOT-MRXNPFEDSA-N	305.418	3.039	10	20	DGCD	
CCCn1ccnc1CCCN(C)Cc1cc(C)ccc1O	290323660	DFRQXEQKXHLASG-UHFFFAOYSA-N	301.434	3.372	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)Nc2cccnc2)C2CC2)cc1	298847771	LNPQVFOCKTXLSV-UHFFFAOYSA-N	310.401	3.344	10	20	DGCD	
Cc1nccn1CCCN(C)Cc1cc(Cl)cc(F)c1O	809752491	DZZNSEMXQWYQNJ-UHFFFAOYSA-N	311.788	3.212	10	20	DGCD	
COC[C@H](NCCc1ccc(N)cc1)c1cccc(Cl)c1	817958417	VNNCHUQFNUGCMD-KRWDZBQOSA-N	304.821	3.442	10	20	DGCD	
COc1ccsc1[C@@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817943864	WEHKLBRCWVTNDS-IUODEOHRSA-N	319.474	3.173	10	20	DGCD	
CSC1(CN[C@@H](C)c2ccc(C)c(C)c2O)CCN(C)CC1	810252892	WFHAFVHXYYPDEE-HNNXBMFYSA-N	322.518	3.487	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccccc1O	827936929	GVJBVTJWEPYDJL-YXKFXFPPSA-N	307.393	3.474	10	20	DGCD	
CC(C)CN(Cc1cnn(C)c1)Cc1c(O)cccc1Cl	835076275	GQDXPAXNAMYCDZ-UHFFFAOYSA-N	307.825	3.437	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCS1	839918081	JMXQIWMQPVJFKZ-BBRMVZONSA-N	306.475	3.004	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1N(C)C	831166524	UACDZQPAMOKVNI-UHOSZYNNSA-N	302.462	3.186	10	20	DGCD	
Cc1ccc(C(=O)NCCCSc2nccs2)nc1C	839681433	PEMYCVBWKOKVAO-UHFFFAOYSA-N	307.444	3.067	10	20	DGCD	
CCCC[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	839144756	KDVFMKJTVHGBPL-ZDUSSCGKSA-N	312.404	3.470	10	20	DGCD	
CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(O)cs2)cc1	731910653	VDIWTVNOQHKLOO-SNVBAGLBSA-N	304.367	3.444	10	20	DGCD	
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	914180275	JWQTVSKCWIQUFX-NKGKWGDASA-N	313.445	3.131	10	20	DGCD	
CN1CCCc2cc(CNC(=O)[C@H]3Cc4ccccc43)ccc21	741914747	KOIQUBBHECULPM-SFHVURJKSA-N	306.409	3.025	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCOC2(CCCCC2)C1	742166674	ZUWYZKPITWDHSI-UHFFFAOYSA-N	312.413	3.476	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(Cc1cnn(C)c1)CC(C)C	840952724	HPDKQKDBVHULOQ-UHFFFAOYSA-N	314.477	3.453	10	20	DGCD	
COc1ccc(N(Cc2cccc(C(N)=O)c2)CC(C)C)cc1	746170949	ZGRDVMKPXPDBMF-UHFFFAOYSA-N	312.413	3.457	10	20	DGCD	
Cc1cc(O)c(CN(C)Cc2nc(O)c3ccccc3n2)cc1C	915802271	QHXDNUQLFAHOEM-UHFFFAOYSA-N	323.396	3.290	10	20	DGCD	
OCC[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1F	842925206	WVBMTDICQTXUNZ-HZPDHXFCSA-N	301.361	3.232	10	20	DGCD	
CCc1cccc(CNCc2ccc(OC)c(OC)c2)c1O	848890431	IQVXWRGUSPJFNA-UHFFFAOYSA-N	301.386	3.262	10	20	DGCD	
CCc1cccc(CN2CCCC[C@@H]2c2nc(C)no2)c1O	848911828	ZSDPGNJORTYQCM-OAHLLOKOSA-N	301.390	3.373	10	20	DGCD	
Cc1cc(CN2CCCC[C@H]2CCC(=O)O)ccc1N(C)C	846281072	KEAAJQBFGYPUBW-INIZCTEOSA-N	304.434	3.280	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)CCOC	840393855	ACLKBLOOPOFEJQ-HNNXBMFYSA-N	322.449	3.377	10	20	DGCD	
CCc1ccc([C@H](O)CN[C@@H](C)c2cccc(OC)c2O)cc1	846170965	NPIKYIJHPVXYCA-SUMWQHHRSA-N	315.413	3.347	10	20	DGCD	
N=C(NCc1cccc(Br)c1O)Nc1ccccc1	849105536	SSPQHGCHMFAOOJ-UHFFFAOYSA-N	320.190	3.291	10	20	DGCD	
CC[C@@H](CO)N[C@H](C)c1cc(Br)cc(Cl)c1O	756338981	BCPVKAVVTDUPLE-APPZFPTMSA-N	322.630	3.230	10	20	DGCD	
C[C@H]1CCN(CCN[C@@H](C)c2cc3c(cc2O)CCCC3)C1	756626256	BJUOXVZWHIXJBL-GJZGRUSLSA-N	302.462	3.263	10	20	DGCD	
COC(=O)CN(Cc1ccccc1)Cc1cc(C)cc(C)c1O	754723423	SANMRGPWOFNRSB-UHFFFAOYSA-N	313.397	3.184	10	20	DGCD	
Cn1nc(C2CC2)cc1CNCc1c(O)ccc(Cl)c1F	922947876	LJFKOGNKLINWHW-UHFFFAOYSA-N	309.772	3.085	10	20	DGCD	
CO[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)C1	753545583	FXFQGZVVHGMING-GOSISDBHSA-N	313.397	3.192	10	20	DGCD	
c1ccc(-n2cccn2)c(CNCc2ccc3c(c2)CCCO3)c1	921619235	NRPABWUFVVDAHF-UHFFFAOYSA-N	319.408	3.487	10	20	DGCD	
CC[C@@H](C)c1nc([C@@H](C)NCc2ccc3c(c2)CCCO3)n[nH]1	922053343	GJXNAAJGBVLXCE-CHWSQXEVSA-N	314.433	3.494	10	20	DGCD	
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cc(O)cs1	751070249	RCLTUXSXSNSSSS-NSHDSACASA-N	322.817	3.116	10	20	DGCD	
CC[C@H](CO)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863161881	LOSONDVYMHTBLX-MRXNPFEDSA-N	314.429	3.037	10	20	DGCD	
CCOc1ccc(CNc2ccc(C(=O)OC)c(F)c2)c(O)c1	864008432	FBYAVMPGTFWKGZ-UHFFFAOYSA-N	319.332	3.329	10	20	DGCD	
C[C@H](NC(=O)[C@H](C)c1cccc(O)c1)c1ccc(N(C)C)cc1	935465834	UFANMQWCVMZQRC-KGLIPLIRSA-N	312.413	3.439	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCn2cnc3ccccc32)c1	862758875	OXAODJUVMICZNC-UHFFFAOYSA-N	323.396	3.147	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)c1	766089347	QIYJDPUXVMTXMM-DLBZAZTESA-N	307.434	3.473	10	20	DGCD	
CCOc1cccc(NC(=S)NCc2ccc(F)cn2)c1	763167618	SUFZHRQBLQPWDH-UHFFFAOYSA-N	305.378	3.106	10	20	DGCD	
O=C(NCc1ccccc1O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	767925255	AQUZOCVMFDPHGA-LGBHXNNWSA-N	303.377	3.317	10	20	DGCD	
COc1ccc2c(c1)CCCN2CN1C(=O)C(C)(C)C1(C)C	766340299	GFBWUXOJPWNVGS-UHFFFAOYSA-N	302.418	3.052	10	20	DGCD	
Cc1ccccc1CCNCc1ccc(N2CCC(O)CC2)cc1	876882523	KGCQAUPHIWJWDN-UHFFFAOYSA-N	324.468	3.288	10	20	DGCD	
C[C@H](NC[C@@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1O	873294270	RKNXCPCNVQIDGD-NHYWBVRUSA-N	318.367	3.036	10	20	DGCD	
CC[C@H](NCc1ccc(N(C)C)c(F)c1)C1(C(=O)OC)CCC1	779341732	PRFLEVBKAPLSRA-INIZCTEOSA-N	322.424	3.103	10	20	DGCD	
COCCN(CCc1ccccc1)Cc1cc(OC)ccc1O	775657175	WZJUHHVOGSNKCL-UHFFFAOYSA-N	315.413	3.092	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccoc1	772006147	TYYCQFJIJABLAE-UHFFFAOYSA-N	300.402	3.325	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc3c(c2)C[C@@H](C)O3)SC1=S	899333436	QJLGYRPFJIHXOR-TVNQGELYSA-N	305.424	3.231	10	20	DGCD	
Cc1cc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)no1	788543343	UKLIUCCJMQEIQQ-CQSZACIVSA-N	317.458	3.387	10	20	DGCD	
COc1ccc(O)c(CN(C)CCCCN2CCCCC2)c1	895682521	GPUWCDKPISNNDU-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
CCc1sc(C(=O)NCc2ccc(OC)cc2O)cc1C	794371019	VSECFKVUHKAKRD-UHFFFAOYSA-N	305.399	3.263	10	20	DGCD	
CCOC(=O)c1cc(NCc2ccccc2O)ncc1Cl	795079450	ATKHLPJFGCXNQM-UHFFFAOYSA-N	306.749	3.229	10	20	DGCD	
CCC[C@@H](NCc1cccc(OC)c1O)[C@@H](O)c1ccccc1	793241284	ODEJTUIHBWTTLQ-AEFFLSMTSA-N	315.413	3.393	10	20	DGCD	
Cc1cccc(CNc2cccc(N3C(=O)CCCC3=O)c2)c1O	793257868	XNJLFJILHHEHTH-UHFFFAOYSA-N	324.380	3.356	10	20	DGCD	
C[C@H]1N(Cc2ccc(Br)cc2O)CCOC1(C)C	708321355	SAEJMIFMEKXSCH-SNVBAGLBSA-N	314.223	3.154	10	20	DGCD	
CC[C@H]1CO[C@H](C)CN1Cc1ccc(Br)cc1O	691680199	UDOBWZRUXYYTMU-MFKMUULPSA-N	314.223	3.154	10	20	DGCD	
CC(C)Oc1ccc(CNC(=O)NCc2ccc(N)cc2)cc1	1336749214	RRNCJKCANQZDPB-UHFFFAOYSA-N	313.401	3.055	10	20	DGCD	
Nc1ccc(CNC(=O)NC[C@H]2CCCCC(F)(F)C2)cc1	1346439490	AENPGBIDYMCUSK-ZDUSSCGKSA-N	311.376	3.284	10	20	DGCD	
COc1cccc(N(CC(C)C)C(=O)/C=C\[C@@H]2CCCNC2)c1	1579280247	GCKOFQFZACRRSJ-YDZSZYSISA-N	316.445	3.240	10	20	DGCD	
COc1ccc(CN[C@H](CC(=O)O)c2ccc(C)o2)cc1C	1777363013	KNDVYOHTIBTGSX-CQSZACIVSA-N	303.358	3.211	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)c2ccc(S(C)(=O)=O)cc2)c1	164567467	FAWXZRGSHOWKBF-UHFFFAOYSA-N	319.426	3.049	10	20	DGCD	
C[C@@H](CCOc1ccccc1)C(=O)NCCc1ccc(N)cc1	152576035	VCUHAOMYTWDHLJ-HNNXBMFYSA-N	312.413	3.033	10	20	DGCD	
COc1cccc(CN2CCN(c3cccc(C)c3)CC2)c1O	155974762	NLINZLCTKLTHML-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	13189992	CLCWWFLHNQYZKR-WBIIUDBISA-N	304.346	3.175	10	20	DGCD	
COc1ccc(CNC[C@H](c2cccs2)N(C)C)cc1C	35052640	DHTCWNJMXSRZTN-OAHLLOKOSA-N	304.459	3.458	10	20	DGCD	
COC[C@H](O)CCN[C@@H](C)c1ccc(N2CCCCCC2)cc1	90952808	UYIANTVNUQJWTQ-QFBILLFUSA-N	320.477	3.115	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC2CC=CC2)cc1F	120825355	PYUITCFYFLZJFZ-UHFFFAOYSA-N	305.397	3.190	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)c2cccs2)c1	131089576	OMZQRMKXJFRMJW-WDEREUQCSA-N	305.399	3.443	10	20	DGCD	
C[C@@H](NCCCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1	156368741	NGQQOCSNFJMGNP-CYBMUJFWSA-N	317.399	3.287	10	20	DGCD	
CCC(CC)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	164697651	YUZKKSSBAUXGBX-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
Cc1cccc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1O	180170495	RJEJZWCDUFZETD-OAHLLOKOSA-N	318.461	3.075	10	20	DGCD	
CN(Cc1cccc(Cl)c1O)[C@@H]1CCCc2c1cnn2C	180640949	BRSMTQTYQLGGPA-CQSZACIVSA-N	305.809	3.289	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2ncc[nH]2)c1	181036057	CLGVUJPTQJLTSF-FNORWQNLSA-N	321.336	3.140	10	20	DGCD	
C[C@H](NC[C@H]1CCCOC1)c1ccc(Br)cc1O	185090269	QSYHMVJZDHNJHY-WDEREUQCSA-N	314.223	3.232	10	20	DGCD	
Cc1cccc(CNC[C@@](C)(Cc2ccccc2)[C@H](C)O)c1O	191779884	ZXIXMHNCZZBPLL-OXJNMPFZSA-N	313.441	3.420	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H]2CCSc3c(F)cccc32)cc1	237915279	DRQRNEWFUHQCQJ-HNNXBMFYSA-N	316.401	3.304	10	20	DGCD	
Cc1cc(O)c(CN2CCN(CC(F)(F)F)[C@@H](C)C2)cc1C	245751811	XUYOHLUAQUPIFE-ZDUSSCGKSA-N	316.367	3.077	10	20	DGCD	
Cc1noc(CCCN(Cc2ccc(N(C)C)cc2)C(C)C)n1	269441025	DOFPOMJYYOQZEG-UHFFFAOYSA-N	316.449	3.287	10	20	DGCD	
COc1cc(Cl)cc(CNCC[C@@H]2CCO[C@H](C)C2)c1O	273723028	ISHUPWOPHZTTGZ-VXGBXAGGSA-N	313.825	3.349	10	20	DGCD	
Cc1ccc([C@H](C)NC2CCN(c3cc(C)n[nH]3)CC2)c(O)c1	275987982	YXIQCJPKBJLABZ-AWEZNQCLSA-N	314.433	3.052	10	20	DGCD	
COC(=O)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1	321406814	ISPZBUPNFQQSQM-KBXCAEBGSA-N	312.413	3.318	10	20	DGCD	
CC[C@@H](NCCc1cn2c(n1)CCCC2)c1ccc(F)cc1O	367613966	GPNVTJOQPBAHPT-MRXNPFEDSA-N	317.408	3.348	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@]2(C)CCO[C@H]2C2CC2)c1	368653157	QCJRPDPVRNILDF-IGNZVWTISA-N	305.418	3.257	10	20	DGCD	
CC[C@H]1CCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	450045138	FTLUHEPAOWFSDP-ZFWWWQNUSA-N	302.418	3.304	10	20	DGCD	
Nc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1	586047227	KYQZCQDBVAZCGW-UHFFFAOYSA-N	324.428	3.055	10	20	DGCD	
CCc1ccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)cc1	588407194	OCBBGKPHHHDLRH-NTMALXAHSA-N	311.381	3.032	10	20	DGCD	
C[C@H](C(=O)OC(C)(C)C)N(Cc1ccc(N(C)C)cc1)C1CC1	738876455	FVBSPONZVFRTBK-CQSZACIVSA-N	318.461	3.447	10	20	DGCD	
COC(C)(C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	742717620	BARFLWZCPCFCBD-UHFFFAOYSA-N	300.402	3.249	10	20	DGCD	
O=C(NCc1ccccc1O)c1csc(Cc2ccccc2)n1	748345555	NAWIFZVQXYOWAI-UHFFFAOYSA-N	324.405	3.370	10	20	DGCD	
COc1ccc(S[C@H](C)C(=O)NCc2ccccc2O)cc1	748345902	QZFFEKYRPOGJQD-GFCCVEGCSA-N	317.410	3.198	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2ccc(Br)cc2O)n[nH]1	756584653	GVAWJKDDLCRGKV-VIFPVBQESA-N	310.195	3.037	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1cccs1)c1cc(F)cc(F)c1O	756593023	LCSBISQCLLOSSG-PSLIRLAXSA-N	313.369	3.290	10	20	DGCD	
C[C@H]1C[C@H](NCCOc2ncccc2F)c2c(O)ccc(F)c21	756761886	RQZOUXDYTWPEIJ-GWCFXTLKSA-N	320.339	3.282	10	20	DGCD	
C[C@@H]1C[C@@H](NCCOc2ncccc2F)c2c(O)ccc(F)c21	756761896	RQZOUXDYTWPEIJ-ZWNOBZJWSA-N	320.339	3.282	10	20	DGCD	
CCC(CC)[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	761197289	RJXRCLZATVVTSE-OAHLLOKOSA-N	318.461	3.416	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cnc(N)s2)cc1	768207970	LCUDWMAVERBJKG-UHFFFAOYSA-N	304.463	3.204	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1c1ccccc1)[C@@H](O)CO2	768441430	LNUKAKRRNSFNSB-AEFFLSMTSA-N	311.381	3.155	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H](n3ccnc3)C1)CCCC2	768449424	ZGKONDHLQPWTLW-GOSISDBHSA-N	311.429	3.305	10	20	DGCD	
C[C@@H](NC(=O)NCc1cccs1)c1ccc(N(C)C)cc1	773113006	NQCCNYNYGBAHMP-GFCCVEGCSA-N	303.431	3.375	10	20	DGCD	
Cc1ccsc1CCNC(=O)N(C)Cc1ccccc1O	774303558	NGZXAKDRZKDWRX-UHFFFAOYSA-N	304.415	3.146	10	20	DGCD	
CCc1nnc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	775435123	SLMGIQDBRQTCOJ-SNVBAGLBSA-N	319.434	3.049	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@@H]3c3ccc[nH]3)cc2)CC1	775630587	MHSAWJHTKRBFJB-HXUWFJFHSA-N	324.472	3.104	10	20	DGCD	
CCCCc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)no1	775830718	MQPZCDKYAGURPY-CYBMUJFWSA-N	302.422	3.329	10	20	DGCD	
COC(=O)c1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)oc1C	775832290	XZUTUWMMOLJSRM-LBPRGKRZSA-N	316.401	3.291	10	20	DGCD	
CC[C@]1(O)CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	779335239	GQBLOCSLGGIEOA-IBGZPJMESA-N	312.413	3.081	10	20	DGCD	
CCCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1	781015969	SSJNBWMTPWRKHM-UHFFFAOYSA-N	301.342	3.447	10	20	DGCD	
CC(C)CC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCC1	784101316	ALVFFRAUIBOIHS-UHFFFAOYSA-N	306.358	3.040	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCC[C@H]3CCCO3)sc2n1	787607698	FYELGFDVVVBZBM-LLVKDONJSA-N	320.414	3.221	10	20	DGCD	
Cc1conc1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	790244981	CEALNYNSKFUQML-UHFFFAOYSA-N	316.361	3.494	10	20	DGCD	
Cc1cnn(C)c1/C=C1/SC(=S)N(c2ccccc2)C1=O	794688161	XTLJDIQHZMMJLU-MDWZMJQESA-N	315.423	3.134	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C(C)(C)C3CC3)CC2)cc1	806747059	OXBJNEYMIZBHNB-UHFFFAOYSA-N	316.445	3.216	10	20	DGCD	
C[C@@H]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817905561	OVYJDRNUOMORFH-GFCCVEGCSA-N	315.442	3.188	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCC[C@@H]2CCCF)cc1	817939545	CKPXRDZNOFFDJY-NXHRZFHOSA-N	307.457	3.260	10	20	DGCD	
COc1cc(Cl)cc(CN2CC3(CCNCC3)C[C@H]2C)c1O	818431787	TVWNUPURBKUSJF-GFCCVEGCSA-N	324.852	3.018	10	20	DGCD	
O[C@H](CNCc1ccc2c(c1)CCO2)c1ccc(F)cc1Cl	818996951	NGLVYNHMAXDENR-MRXNPFEDSA-N	321.779	3.237	10	20	DGCD	
C[C@H](NC(=O)CCCC(=O)C1CC1)c1ccc(N(C)C)cc1	828862080	UAWOVJRVVNECSO-ZDUSSCGKSA-N	302.418	3.079	10	20	DGCD	
CCCn1ncc(NC(=O)c2ccc(C)c(O)c2O)c1C1CC1	834043498	CVMISKBAQCBNHR-UHFFFAOYSA-N	315.373	3.142	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCCOCC1CCCC1	835056831	PGJJYWSMWPIPSD-UHFFFAOYSA-N	301.789	3.481	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN[C@@H]2CCC[C@H]2O)cc1	835080665	AHHCDUUHDNCZST-QZTJIDSGSA-N	316.470	3.388	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1Cc2ccccc21	839918446	MDAGRGXZDKWSQB-MGPUTAFESA-N	322.452	3.448	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@H]1c1ccccc1	840957048	HZCJBTNSMWNYTB-PMACEKPBSA-N	310.441	3.369	10	20	DGCD	
CO[C@@](C)(C1CC1)[C@@H](C)NCc1cc(Cl)c(F)cc1O	840961315	VBLOALCKTZHCMD-RFAUZJTJSA-N	301.789	3.478	10	20	DGCD	
COc1ccc(CNCCc2ccc(N)cc2)c(Cl)c1OC	841033857	CHLVBWCFFYIDSV-UHFFFAOYSA-N	320.820	3.272	10	20	DGCD	
c1cc2c(cc1CN[C@H]1CCN(C3CCCCC3)C1)CCO2	850382737	VXEYEKGNZZHQIQ-KRWDZBQOSA-N	300.446	3.118	10	20	DGCD	
COc1cccc([C@@H](C)NCC2(O)CCC(C)(C)CC2)c1O	850551394	HRYXKKKVYQJRTH-CYBMUJFWSA-N	307.434	3.383	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H](O)c1cc(F)c(F)c(F)c1)CC2	850580066	GJLUTNQETMGJNZ-UKRRQHHQSA-N	323.314	3.120	10	20	DGCD	
CCn1nccc1CN[C@@H](C)c1cc(Br)ccc1O	853241754	XNPVJURAYKGFHA-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
CC[C@@H](C)N(CCO)Cc1cc(Br)cc(C)c1O	862387449	LYEAQBMIYHYPPN-LLVKDONJSA-N	316.239	3.056	10	20	DGCD	
CC(C)c1cc(CNC(=O)N[C@H](C)c2ccccc2O)on1	868256784	PVSRQXRRQHXCML-LLVKDONJSA-N	303.362	3.064	10	20	DGCD	
CCCOc1ccc(CNCC2([S@](C)=O)CCC2)cc1C	873119423	GNUYCQKNRMKFHV-NRFANRHFSA-N	309.475	3.175	10	20	DGCD	
CC(C)C(NCc1ccc(N2CCC(O)CC2)cc1)C(C)C	877098878	WPECRDVQOGAVBT-UHFFFAOYSA-N	304.478	3.418	10	20	DGCD	
Nc1ccc(OCc2cn(CCCCC(F)(F)F)nn2)cc1	881343757	MARATRJZVWOGOI-UHFFFAOYSA-N	314.311	3.172	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC(C(=O)OC(C)C)CC2)c1	884476751	ZPHYNKHOEVGPKH-UHFFFAOYSA-N	305.418	3.173	10	20	DGCD	
Cc1cc(F)ncc1CN(C)c1ccc(OCCN(C)C)cc1	893571152	KGSLPUVOGIVVCJ-UHFFFAOYSA-N	317.408	3.106	10	20	DGCD	
COc1cc(C)cc(CNCc2nnc(C(C)(C)C)s2)c1O	894333399	WKWGBKYTGGHBJR-UHFFFAOYSA-N	321.446	3.148	10	20	DGCD	
CCN(Cc1cc(C)cc(OC)c1O)[C@H]1CCOC(C)(C)C1	894789830	KOFNQZNZAFXYOW-HNNXBMFYSA-N	307.434	3.489	10	20	DGCD	
CC[C@H](NCCOC1CCSCC1)c1ccc(F)cc1O	903444413	ANPSJUBFKXFSLE-HNNXBMFYSA-N	313.438	3.484	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc2oncc2c1	905070328	LHDBXUKGIMAKPA-NTEUORMPSA-N	313.382	3.284	10	20	DGCD	
CC(C)n1cc([C@@H](C)NCc2ccc(N3CCCC3)cc2)nn1	924646545	CAXQBZBIQDBGTQ-OAHLLOKOSA-N	313.449	3.310	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)CC(C)C)cc1C	1133591356	VQVISDJWQAWAKI-JKSUJKDBSA-N	320.477	3.423	10	20	DGCD	
CN1CC[C@H]2[C@@H](CCCN2Cc2ccc(N3CCCC3)cc2)C1	1261186395	FWKYBICKVSEDPM-ICSRJNTNSA-N	313.489	3.203	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21	1324965655	RPVHMUMMIWKTLX-SOUVJXGZSA-N	318.461	3.391	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)/C(C)=C(\C)CC)CC2)cc1	1325091836	SSMCCRMOLZQETI-FOCLMDBBSA-N	316.445	3.480	10	20	DGCD	
C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	1337801403	SCWZGNBWXBDJML-QWRGUYRKSA-N	324.377	3.071	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(Oc2ccccc2)CC1	1348639645	HBXZBNSYYWQXHC-UHFFFAOYSA-N	324.424	3.289	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCC[C@H]1CSC	1520738723	OTKVYMWHFMNVPQ-JTQLQIEISA-N	324.475	3.064	10	20	DGCD	
COc1cc(CN[C@H](C(=O)O)C(C)(C)C)c(O)c(C(C)(C)C)c1	1599416608	DZPHQXVLWDXGNC-OAHLLOKOSA-N	323.433	3.287	10	20	DGCD	
O=C(O)C1(CNCc2cc(Cl)cc(F)c2O)CCCCC1	1601707713	LYTXFNLVLIPSCM-UHFFFAOYSA-N	315.772	3.309	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(C(=O)O)CCC[C@@H]2C)c(C)c1	1776856714	DYIFZWRTAYAIOX-KBXCAEBGSA-N	304.434	3.184	10	20	DGCD	
COc1cccc(SCC(=O)N(C)c2ccc(N)cc2)c1	37285591	YGKDMZLNPTZIIZ-UHFFFAOYSA-N	302.399	3.033	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C1CCC1	75416685	QQKQWFKNJUPHAH-UHFFFAOYSA-N	312.207	3.303	10	20	DGCD	
COCCOc1ccccc1NCc1cccc(OC)c1O	123178853	GFQWRVIESVOCAT-UHFFFAOYSA-N	303.358	3.038	10	20	DGCD	
CC[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1	126059975	SAOYEQVDTKLEGC-QZTJIDSGSA-N	311.429	3.020	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1	152590235	HOINQCRYOPPYBA-GJZGRUSLSA-N	316.351	3.009	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)Cc2cc(OC)c(OC)cc2O)C1(C)C	160284959	MOEJHRSHFUTUID-IRXDYDNUSA-N	323.433	3.045	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2C[C@H](C)O)c(O)c(C(C)(C)C)c1	164601867	RHIFCBHKJNVAFK-DZGCQCFKSA-N	321.461	3.434	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)c(O)c1O	177665795	HZSKOESZUPLFDM-GFCCVEGCSA-N	303.383	3.445	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)c1	182432937	WBTAHSYGLHBVNC-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
COc1cccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1O	183212070	GTRQSQRMHLODAT-MRXNPFEDSA-N	317.360	3.193	10	20	DGCD	
COc1cc(CN(C)Cc2ccccc2O)c([N+](=O)[O-])cc1F	184256817	ITMQIYIGTUNTAN-UHFFFAOYSA-N	320.320	3.080	10	20	DGCD	
C[C@H](NCCCn1cccn1)c1ccc(Br)cc1O	184957377	RSCABCYOWJEPKT-NSHDSACASA-N	324.222	3.092	10	20	DGCD	
C[C@H](CN[C@@H](C)c1ccc(Br)cc1O)C[C@@H](C)O	185521873	FUYKSCBYQHIVRO-AXFHLTTASA-N	316.239	3.212	10	20	DGCD	
Cc1cccc(C[C@H](CO)N[C@@H](C)c2ccc(N(C)C)cc2)c1	191606146	JDRJLHPNSRDGQT-QFBILLFUSA-N	312.457	3.315	10	20	DGCD	
C[C@H](N)CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	193306295	JAMKRERVXWQGHB-HNNXBMFYSA-N	317.477	3.199	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1cc(F)ccc1O	227690844	HVUCFUWKVILIKU-GHMZBOCLSA-N	312.385	3.095	10	20	DGCD	
COc1cccc(CNCc2cc(Cl)cc(OC)c2O)c1	228668622	LUZIWZKXUQCHCQ-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
C[C@H]1CCCN(c2ccc(CNC(=O)N(C)C)cc2Cl)C1	282806620	KNORLNFUHIAQRV-LBPRGKRZSA-N	309.841	3.348	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CC[C@H]2CCCO2)C2CC2)cc1	298305791	CCAWXSIOLVHSMT-GOSISDBHSA-N	316.445	3.203	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)c2ccc(F)cc2F)c1	305767940	IHBJKBGYBRQLOR-DYZYQPBXSA-N	323.339	3.063	10	20	DGCD	
COC[C@@H](C)[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C	360458171	YBRSTJZBVMHIBL-CHWSQXEVSA-N	302.418	3.022	10	20	DGCD	
C[C@H](Cc1ccco1)NCc1c(O)cccc1Br	706804619	MFKJORUYVGSRCY-SNVBAGLBSA-N	310.191	3.469	10	20	DGCD	
CC(C)[C@@H]1CN(Cc2ccc(Br)cc2O)CCO1	709000156	KTOWUXXDIRPULP-AWEZNQCLSA-N	314.223	3.012	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC[C@@H]1C	734517958	VSVHKMMPELOJNG-GUYCJALGSA-N	303.450	3.439	10	20	DGCD	
CC[C@H](OC(=O)c1cc(O)cs1)C(=O)c1ccc(OC)cc1	738653479	ZJUAJVMYKKNIOO-ZDUSSCGKSA-N	320.366	3.281	10	20	DGCD	
CCCSCC(=O)NCc1ccc(N2CCCCC2)cc1	742468343	CLTVJNHGRYLAQR-UHFFFAOYSA-N	306.475	3.436	10	20	DGCD	
CNC(=S)N(C)Cc1cc(C)n(-c2ccc(OC)cc2)c1C	749830228	BJTMOOOUPMCVIT-UHFFFAOYSA-N	317.458	3.039	10	20	DGCD	
O=C(O)C[C@H](NCc1cc(Cl)cc(Cl)c1O)C1CC1	756386017	GNSDPQARLYBIMC-NSHDSACASA-N	304.173	3.042	10	20	DGCD	
C[C@@H](NC[C@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1O	756455534	DDOVFEVWZVTKGB-TZMCWYRMSA-N	321.367	3.172	10	20	DGCD	
CC(C)n1cc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cn1	756575918	RFCAOSBVUTYNAW-RYUDHWBXSA-N	318.377	3.490	10	20	DGCD	
C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(F)cc1O	756660324	VRVMJQIUZMMKKR-SECBINFHSA-N	317.286	3.141	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2CCOC3(CCOCC3)C2)c1	756765468	OSTFVSLNOACGPW-CABCVRRESA-N	305.418	3.079	10	20	DGCD	
COc1ccc(N2CCC(NCC3(C)CCOCC3)CC2)cc1	758302714	YIBRVWNXOALRBI-UHFFFAOYSA-N	318.461	3.070	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCSC1	762116554	WWIYPIBHHXRINI-HNNXBMFYSA-N	304.459	3.046	10	20	DGCD	
C[C@@H](NCCC(F)(F)F)c1ccc(N2CCOCC2)cc1	766525859	CQHSVPFATGAAGT-GFCCVEGCSA-N	302.340	3.126	10	20	DGCD	
CN(CC[C@H]1CCCCN1C)Cc1ccc(N(C)C)c(F)c1	769482945	LSLZIQLOPWTGAU-MRXNPFEDSA-N	307.457	3.198	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc([N+](=O)[O-])cc2F)c1	775376330	SWFDPXDASBDISW-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
CCNC(=O)[C@H](C)N[C@H](CC)c1ccc(Cl)c(Cl)c1O	775485224	QRSIGUQQYKBZQM-GZMMTYOYSA-N	319.232	3.264	10	20	DGCD	
CC[C@H](N[C@@H]1CC(=O)N(C(C)C)C1)c1cc(Cl)ccc1O	775524534	BKJSYWLGYAPUNR-OCCSQVGLSA-N	310.825	3.096	10	20	DGCD	
C[C@@H](NCc1nnc(-c2ccco2)o1)c1ccc(N(C)C)cc1	775832083	XFRZPSLRJIAQJM-GFCCVEGCSA-N	312.373	3.246	10	20	DGCD	
COc1ncc(/C=C/C(=O)N(C)c2ccc(C(C)C)cc2)cn1	775875500	CIMZHTFDKKFJCX-BJMVGYQFSA-N	311.385	3.285	10	20	DGCD	
COc1cc(N(C)C[C@@H]2C[C@H]3C=C[C@H]2C3)cc(OC)c1OC	780774254	JDPWQBRKFLSVEM-IHRRRGAJSA-N	303.402	3.361	10	20	DGCD	
CC[C@@H](C)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	790512443	AGVQKYFSVFMZFD-CABCVRRESA-N	304.434	3.137	10	20	DGCD	
CC(C)[C@H](CNCc1c(O)ccc(Cl)c1F)N1CCCC1	790950210	MWPZGATVSVHHII-AWEZNQCLSA-N	314.832	3.395	10	20	DGCD	
C[C@@H](N[C@H]1CCC[C@H]2C[C@H]21)c1ccc(N2CCOCC2)cc1	800968130	GIEFTOGEIWLNRF-HYEGPXJVSA-N	300.446	3.362	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1	800968932	GLIZXYFRBNUQKD-GDIGMMSISA-N	300.446	3.442	10	20	DGCD	
COC(=O)Nc1ccc(NCc2cc(F)ccc2O)cc1F	802647814	KXKHWCSBMFYFND-UHFFFAOYSA-N	308.284	3.461	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NC[C@H](O)COCC(C)C)c1O	808679831	BPHJZBNVLCGTDL-JSGCOSHPSA-N	315.841	3.038	10	20	DGCD	
CCN1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1	809697793	OPFDDKQYESWXEW-KRWDZBQOSA-N	301.478	3.203	10	20	DGCD	
CCOc1ccc(CN2CCCCC[C@@H]2C[C@H](C)O)c(O)c1	809700706	MWNAIOJHIWETMY-GOEBONIOSA-N	307.434	3.306	10	20	DGCD	
C[C@@H]1[C@H](N2CCCC2)CCN1Cc1cc(Cl)cc(F)c1O	809724017	CUKNVMPEOPQTII-IAQYHMDHSA-N	312.816	3.243	10	20	DGCD	
CCCNC(=O)OC[C@H]1CCCCN1Cc1cccc(C)c1O	809724871	CKMYXOAWRXWWLH-MRXNPFEDSA-N	320.433	3.191	10	20	DGCD	
O=C1OCc2ccc(NCc3c(O)ccc(Cl)c3F)cc21	809788414	JUNJSZYLIVXJAS-UHFFFAOYSA-N	307.708	3.467	10	20	DGCD	
CCC1(C)CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	813051828	UNAWVLFXKDJKTK-UHFFFAOYSA-N	301.434	3.011	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@@H](OC)C2)cc1	814405888	HSUIVWZDYXIISU-FUHWJXTLSA-N	318.461	3.354	10	20	DGCD	
COC(=O)CCC[C@@H]1CCC[C@H](NCc2ccccc2O)C1	815122876	QJTQQQWGJWMRSR-HOCLYGCPSA-N	305.418	3.384	10	20	DGCD	
CCN(CC)C[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816515758	KDXXIXIIEUZFCD-GFCCVEGCSA-N	314.832	3.348	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNc1cnn(-c2ccccn2)c1	816558695	JACJTHPWPLNSBC-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
C[C@H](NCCCNC1CC1)c1cccc(C(F)(F)F)c1O	817984114	NIXBMAOBOHQDLB-JTQLQIEISA-N	302.340	3.204	10	20	DGCD	
CC[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1	818544831	RHHIDIYOCQYVBG-QGZVFWFLSA-N	300.377	3.260	10	20	DGCD	
CN(CCc1ccccn1)Cc1ccc(Br)cc1O	825501449	PKYYXQFVFBAZEH-UHFFFAOYSA-N	321.218	3.224	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[C@@H]2C[C@@H]21	825721071	HFGCDAIEIQMIKN-BPQIPLTHSA-N	313.445	3.275	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](O)CNCc1cc(Cl)cc(F)c1O	827733922	RAWDONDLZSAAJH-MEDUHNTESA-N	323.795	3.439	10	20	DGCD	
O=C(O)CN(C/C(Cl)=C\Cl)Cc1cc(Cl)ccc1O	833247466	KEELFVJOHPUYQK-ONNFQVAWSA-N	324.591	3.251	10	20	DGCD	
Oc1ccccc1CN1CCC2(CC1)OCCc1ccccc12	835059239	ZPSLVMYFWYUXPF-UHFFFAOYSA-N	309.409	3.456	10	20	DGCD	
O=C1CCCN1[C@@H]1CCCN(Cc2c(O)cccc2Cl)CC1	840974204	ABRHZGHQIVRLGE-CYBMUJFWSA-N	322.836	3.023	10	20	DGCD	
C[C@@H]1[C@H](CO)CCCN1Cc1ccc(N2CCCCC2)cc1	840978129	LKEMROZDUMYQNJ-AEFFLSMTSA-N	302.462	3.270	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cc3ccccc3o2)cc1	841043945	RQJSAQXTBANUKZ-GOSISDBHSA-N	309.413	3.288	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](CN)CC(C)C	841955053	YIPLABXUUCXIGQ-INIZCTEOSA-N	321.465	3.077	10	20	DGCD	
Cc1cc(CN2CCC[C@H](C(=O)O)C2)ccc1N1CCCCC1	846261819	UHNUMCPHQURNOQ-KRWDZBQOSA-N	316.445	3.282	10	20	DGCD	
COCCNc1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1	849157136	QKGFEFDHYNSBCV-UHFFFAOYSA-N	312.373	3.202	10	20	DGCD	
CCOCc1cc(CNCc2cccc(N)c2)ccc1OC	849350217	MGBPLXKALWGGFJ-UHFFFAOYSA-N	300.402	3.104	10	20	DGCD	
CC1(C)C[C@]1(C(=O)NCCc1ccc(N)cc1)c1ccccc1	851632786	WRRNZGJBGISVMH-HXUWFJFHSA-N	308.425	3.295	10	20	DGCD	
CCN(CC(=O)NCc1cc(Cl)ccc1O)c1ccccc1	857547558	JYYXCVACKRXNMV-UHFFFAOYSA-N	318.804	3.188	10	20	DGCD	
CC1CCC(N(C(=O)CN(C)c2ccc(N)cc2)C2CC2)CC1	863557500	POIMELNDVOBQBW-UHFFFAOYSA-N	315.461	3.275	10	20	DGCD	
Cc1cccc(O)c1CN1CCC(NC(=O)c2ccccc2)CC1	876557017	STHYKYOKEUZWKJ-UHFFFAOYSA-N	324.424	3.095	10	20	DGCD	
CCCn1ccnc1CCCN(C)Cc1c(C)cccc1O	877529331	ZRSDFKMFWXJSIL-UHFFFAOYSA-N	301.434	3.372	10	20	DGCD	
CC[C@@H]1CC[C@@H](C)N1Cc1ccc(N2CCC(O)CC2)cc1	877531446	MXCZQNMJGQPGOF-NVXWUHKLSA-N	302.462	3.411	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@H]1CCN(C2CCCCC2)C1	883174493	LOPNQVVDAXSKPN-AWEZNQCLSA-N	310.388	3.167	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)C[C@@H](O)c2ccccc2)c1O	894365864	AXVCKTAGIPNCBU-RHSMWYFYSA-N	315.413	3.311	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCn2nc(C3CC3)cc2C1	896939347	FFOYBIREQMQLQX-UHFFFAOYSA-N	321.783	3.274	10	20	DGCD	
Oc1cc2c(cc1CN1CCCc3cc(F)c(F)cc31)OCO2	917471292	FJSFSZJZMJSFDK-UHFFFAOYSA-N	319.307	3.352	10	20	DGCD	
COc1ccc(CNC[C@@H](CO)Cc2ccc(F)cc2)cc1C	920181741	CPBGOWIONNDAIE-KRWDZBQOSA-N	317.404	3.084	10	20	DGCD	
Oc1nc2cc(CNCc3ccc(N4CCCC4)cc3)ccc2o1	1330793279	HSGGBASZNPSRAR-UHFFFAOYSA-N	323.396	3.423	10	20	DGCD	
COC(=O)c1cnc(N[C@H](C)c2ccc(N(C)C)cc2)s1	1336747606	LIWDHIQQJAACPG-SNVBAGLBSA-N	305.403	3.169	10	20	DGCD	
CCc1ncoc1C(=O)NCc1ccc(N2CCCCC2)cc1	1337250646	WNRAFWMKISCXGU-UHFFFAOYSA-N	313.401	3.157	10	20	DGCD	
CO[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1338688497	ULZYVUPPZVDBHJ-ZWKOTPCHSA-N	316.445	3.059	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N(C)CCCF	1342943386	SHZVAHDNTKOHOF-UHFFFAOYSA-N	312.414	3.164	10	20	DGCD	
CC1(C)C[C@H](C(=O)NCc2ccc(N)cc2)c2ccccc2O1	1576391197	SOQFRLRPBYCTKY-INIZCTEOSA-N	310.397	3.230	10	20	DGCD	
CN(C)c1ccc(/C=C\CNCc2ccc(C(=O)O)cc2)cc1	1593709014	PCZGTJBHSBMQFP-ARJAWSKDSA-N	310.397	3.254	10	20	DGCD	
CCc1cnc(CCN[C@H](C)c2cc(C(=O)O)ccc2O)s1	1597627060	ANTAMDHOYCBMJO-SNVBAGLBSA-N	320.414	3.003	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCC(=O)c2ccccc2)cc1	8171226	VBWQDYUUUJRFJC-UHFFFAOYSA-N	310.397	3.032	10	20	DGCD	
Cc1ccc(O)c(CN(CCN(C)C)Cc2cccs2)c1	23247865	SEWWISUCLDAMCL-UHFFFAOYSA-N	304.459	3.326	10	20	DGCD	
Cc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1F	58474414	XFQMVPMXYIYGTJ-UHFFFAOYSA-N	302.349	3.181	10	20	DGCD	
C[C@H](N)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	70171691	GFXMCEMVCDTXPZ-VHSXEESVSA-N	303.233	3.258	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)C[C@H](C)O	74548865	NNCDMBJFZUHHNJ-AWEZNQCLSA-N	322.449	3.111	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1ccc(OC(F)F)cc1	80130134	ITKDJROGZCUMQT-UHFFFAOYSA-N	321.323	3.195	10	20	DGCD	
COCc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1	115280006	DNFNRYDBYNEZNA-UHFFFAOYSA-N	312.413	3.137	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNC[C@H]1CSCCS1	125218312	NZEOVXGDQHRJTD-INIZCTEOSA-N	308.516	3.225	10	20	DGCD	
C[C@@H](CC(=O)NCCCSc1nccs1)c1ccncc1	132292646	ZGXIXUQTXRNNKC-LBPRGKRZSA-N	321.471	3.330	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CC[C@H](C)O2)cc1	175529094	AIOXMBSMLLRUGN-YJBOKZPZSA-N	318.461	3.497	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CC[C@H](C)O1	175866878	KIDLWXXCYUKGCD-HOCLYGCPSA-N	305.418	3.479	10	20	DGCD	
Cc1ccc(OC(F)F)c(/C=C2/SC(=S)NC2=O)c1	176902246	RRXFEGMOYAYELL-WEVVVXLNSA-N	301.339	3.085	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccn1	179803837	GGLKEKYKWSGLSY-UHFFFAOYSA-N	310.401	3.312	10	20	DGCD	
CC[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1	180894592	BKJMGGLCTQJNSB-GDXASINISA-N	311.381	3.421	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)CCc2ccccc2)c(OC)c1	182560670	NZGIHVABMNZXLE-MRXNPFEDSA-N	315.413	3.134	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1F	183599525	RLRUDXLGYKRIOI-SECBINFHSA-N	306.293	3.188	10	20	DGCD	
C[C@@H](NCc1nnc2n1CCCCC2)c1cc(Cl)ccc1O	184877603	XZVZJPXSDJLOFQ-LLVKDONJSA-N	320.824	3.214	10	20	DGCD	
COCCOc1ccc(CN[C@H](C)c2cc(F)ccc2O)cc1	185012657	YGEJTIZMTNTZBM-CYBMUJFWSA-N	319.376	3.407	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(F)F)c1	186413246	FOSJHIRUVLKFSH-SNVBAGLBSA-N	321.323	3.396	10	20	DGCD	
COc1cc(O)c(CNc2cnn([C@H](C)C3CC3)c2)cc1OC	189747947	ISTNCCOAMWXSKI-LLVKDONJSA-N	317.389	3.189	10	20	DGCD	
COC[C@@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@H](C)O1	190218108	WSQFWLLCDDRWNI-HOCLYGCPSA-N	321.461	3.234	10	20	DGCD	
CN(Cc1cc(Cl)cc(Cl)c1O)C[C@@H]1CCCN1C	211710026	HKFUMWARCFCAMN-LBPRGKRZSA-N	303.233	3.225	10	20	DGCD	
Nc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1	228391666	VAYTXDYJYXOGJR-CHWSQXEVSA-N	300.324	3.254	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@H]1C[C@H]2CC[C@H]1C2	245759742	VJUFPNWMMBXVOX-UCJNUIKMSA-N	301.386	3.054	10	20	DGCD	
CC(C)[C@H](CNCc1ccc(N2CCCCC2)cc1)C(=O)O	272524738	WDGVJYMTPYAWBO-KRWDZBQOSA-N	304.434	3.123	10	20	DGCD	
CC[C@H](NC[C@H](O)c1cccc(F)c1)c1ccc(F)cc1O	285890126	CFGZYUGQXSJKTC-RDJZCZTQSA-N	307.340	3.445	10	20	DGCD	
COc1cc(NCc2cc3c(cc2O)OCO3)cc(OC)c1C	292640796	KHJKDKGMXALOHP-UHFFFAOYSA-N	317.341	3.059	10	20	DGCD	
CC[C@H](NCc1ncc(C(F)(F)F)cn1)c1ccccc1O	295068159	QTTHFKBAGPMITA-LBPRGKRZSA-N	311.307	3.442	10	20	DGCD	
CCN(C[C@@H](O)c1ccc(F)cc1)c1ccc(OC)c(OC)c1	299274357	LHEQAOUXBRPTLS-MRXNPFEDSA-N	319.376	3.403	10	20	DGCD	
CC[C@H](C)[C@H](CNCc1cc(Cl)cc(OC)c1O)OC	381338131	AXGTXBWHFDFFIO-HZMBPMFUSA-N	301.814	3.205	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	649788898	GZQXXJFPYWPMPW-IJEWVQPXSA-N	312.413	3.080	10	20	DGCD	
CC[C@@](C)(CNCc1ccc(Br)cc1O)OC	691393079	QWZXHCAVTCJXEY-ZDUSSCGKSA-N	302.212	3.059	10	20	DGCD	
CCSC1(CNCc2cc(Cl)cc(OC)c2O)CC1	691831967	OICKRSFNZBDINM-UHFFFAOYSA-N	301.839	3.430	10	20	DGCD	
CC1(C)C[C@H](NCc2ccc(Br)cc2O)CCO1	701145070	XKIOPMSJSXKXNF-GFCCVEGCSA-N	314.223	3.202	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3cc[nH]n3)c2C)c1	749349280	GRKUEPNROJMHPE-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](C(C)C)N2CCOCC2)c(O)c1C	756366916	JUANYQXQYQYYDI-AEFFLSMTSA-N	320.477	3.016	10	20	DGCD	
CCCN1CC[C@H](CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)C1	756450212	RCEJVFWOIBZPOC-GZBFAFLISA-N	306.425	3.401	10	20	DGCD	
C[C@@H](COCC(F)(F)F)N[C@H](C)c1cc(F)cc(F)c1O	756488224	MAVWFVFMIUOPOY-JGVFFNPUSA-N	313.266	3.288	10	20	DGCD	
C[C@H](NCCNc1ccccn1)c1cc2c(cc1O)CCCC2	756613151	ZZDLDLNIDNCEEN-AWEZNQCLSA-N	311.429	3.429	10	20	DGCD	
CCCCc1nc(COC(=O)c2cccc(O)c2O)cs1	758545836	DRFZKNZGHXVPIT-UHFFFAOYSA-N	307.371	3.254	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nccs2)cc1	770104165	IIHKTVUVLWYISL-UHFFFAOYSA-N	303.431	3.262	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)CC(F)(F)F)c1ccc(N(C)C)cc1	773447408	IVGPOZAINUGEFC-MNOVXSKESA-N	317.355	3.454	10	20	DGCD	
CCC(CC)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774482084	FOPLVHYOOLXXOX-KGLIPLIRSA-N	305.466	3.097	10	20	DGCD	
CCN1C(=O)/C(=C/c2nc3c(s2)CCCC3)SC1=S	776263303	RJKHGXMPVRVFGH-YFHOEESVSA-N	310.469	3.243	10	20	DGCD	
COc1ccc(N2CCN(Cc3cc(F)ccc3C)CC2)cc1	778988974	OSKNWDIHEQUUPI-UHFFFAOYSA-N	314.404	3.465	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCc3ncsc3C2)c1O	782633891	MXSMWVSUURNNMW-UHFFFAOYSA-N	322.817	3.263	10	20	DGCD	
CCn1ccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2O)c1	792182970	KCAZHHZPQCYGKN-UHFFFAOYSA-N	323.780	3.407	10	20	DGCD	
COc1ccc(N(C)CCCc2ccc(C)nc2)cc1OC	793074718	KPVQQHPMJMYQDN-UHFFFAOYSA-N	300.402	3.476	10	20	DGCD	
C[C@H](NC(=O)[C@H]1Cc2ccc(F)cc21)c1ccc(N(C)C)cc1	793857230	TXCBJVODGULNPB-SGTLLEGYSA-N	312.388	3.409	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)c(O)c1	794381806	OKRZQFFBMZMLGE-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
CC[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccc(F)cc1O	796789657	OULDPADCDPLELM-MRXNPFEDSA-N	322.424	3.363	10	20	DGCD	
CCCCN(Cc1nc(O)cc(CC)n1)Cc1ccccc1O	801596367	WUDVLTGDEVCTCW-UHFFFAOYSA-N	315.417	3.253	10	20	DGCD	
CCC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccn1	806317581	JVLIAFFBWMEREG-QGZVFWFLSA-N	311.429	3.348	10	20	DGCD	
C[C@@H](NCc1cnnn1-c1ccccc1)c1ccc(N(C)C)cc1	808748145	ICTJLFAERTYRTK-OAHLLOKOSA-N	321.428	3.184	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3cccc(O)c3)C2)cc1	818219393	DSZOGIROWHSDKD-INIZCTEOSA-N	312.413	3.017	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CC[C@@H](C)CC	819698358	LJLLEKKDEUZVRK-AWEZNQCLSA-N	321.417	3.110	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1nc(C(F)F)no1	822796897	BKDFDBCARBTVLD-UHFFFAOYSA-N	309.316	3.359	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc1Cl	825291290	IQVQMOZQRVWABZ-GXTWGEPZSA-N	324.852	3.091	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCC[C@@H]2C[C@@H]21	827601077	UJIJGPMZNVOTMZ-UKPHBRMFSA-N	314.429	3.259	10	20	DGCD	
C[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1ccccc1O	827930912	USAMAWAXUCMIOR-SNVBAGLBSA-N	303.383	3.017	10	20	DGCD	
CC(C)c1cc(C(=O)N[C@H](C)c2ccccc2O)cc(O)n1	827940504	DSFXOQXHTMNRCE-LLVKDONJSA-N	300.358	3.107	10	20	DGCD	
Fc1cc(CN[C@@H]2C[C@H]3CC[C@H]2C3)cc(F)c1N1CCOCC1	839146364	FLTATIXBLZXGKC-RVSPLBMKSA-N	322.399	3.080	10	20	DGCD	
O=C(O)C[C@@H]1CCCC[C@@H]1NCc1c(O)ccc(Cl)c1F	841822156	MJBCQNQEJDOZHH-CABZTGNLSA-N	315.772	3.308	10	20	DGCD	
Cc1ccc(CN2CCCc3cc(CN)ccc32)cc1[N+](=O)[O-]	843057759	UGSLGQZYCUSZDF-UHFFFAOYSA-N	311.385	3.315	10	20	DGCD	
C[C@H]1C[C@H](N)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F	846704292	UIQCEXXXLAXETE-WCQYABFASA-N	315.383	3.083	10	20	DGCD	
COc1nccc(CNCc2cc(C)n(-c3ccccc3)c2C)n1	858295329	ZIDXVFCWFAMWOX-UHFFFAOYSA-N	322.412	3.183	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)c1	858331991	DNCRUNARVWNDON-GOEBONIOSA-N	320.433	3.094	10	20	DGCD	
COc1ccc(CCNC(=O)N[C@H](C)c2ccccc2O)cc1	867952073	SRNOOMHQGNECQD-CYBMUJFWSA-N	314.385	3.004	10	20	DGCD	
C[C@@H]1CCCCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	877408687	QGRKOLMQOMQOBG-MRXNPFEDSA-N	302.462	3.270	10	20	DGCD	
CC(C)CN1CCC[C@@H](CNCc2cc(F)cc(F)c2O)C1	883073514	SAGIVFQELOCCJN-ZDUSSCGKSA-N	312.404	3.128	10	20	DGCD	
COc1ccc(CN[C@H]2CCC[C@H](SC)C2)c(O)c1OC	892949703	CANFCBCAKYTBBK-STQMWFEESA-N	311.447	3.173	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C(=O)O)C1	902014807	GPCNROZPTMWEBR-YJBOKZPZSA-N	316.445	3.362	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2[nH]ccc2n1	906428806	WCUXKFAENOFUPV-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCC[C@@H]1C(F)(F)F	1153798063	JYYMKLNKWFRCMZ-MNOVXSKESA-N	317.307	3.083	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCc1noc2c1CCCC2	1261136601	LDSRELDGYIWMSY-UHFFFAOYSA-N	311.429	3.443	10	20	DGCD	
COc1ccc2cc(C(=O)NCc3ccccc3O)ccc2c1	1320929317	DWSRQGMRJCYJBY-UHFFFAOYSA-N	307.349	3.484	10	20	DGCD	
CC1=C(C(=O)O)C[C@@H](CN(C)c2ccc(OC(C)C)cc2)O1	1594100476	PORWNCCNUZCSTQ-HNNXBMFYSA-N	305.374	3.058	10	20	DGCD	
CC[C@](C)(C(=O)O)N(Cc1ccc(N(C)C)cc1)CC1CC1	1594787423	DFZJOMHKZPYYFO-GOSISDBHSA-N	304.434	3.218	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1	1601882271	ZUGILDPEKJHAKF-BRLPQQTGSA-N	316.357	3.319	10	20	DGCD	
CCOc1ccc(CN[C@@H](CC2CCCCC2)C(=O)O)c(O)c1	1605691868	NLARJROZVMICCM-INIZCTEOSA-N	321.417	3.304	10	20	DGCD	
CCCOc1ccc(CN[C@@H](CC(C)(F)F)C(=O)O)cc1C	1776820254	JBGUKRLURYWGNQ-ZDUSSCGKSA-N	315.360	3.372	10	20	DGCD	
CCc1ccccc1NC(=S)NNc1cccc([N+](=O)[O-])c1	7351586	ZGMFKYYLHLMIHV-UHFFFAOYSA-N	316.386	3.471	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccccc1	52851198	XGMXJIIFNXPHPB-UHFFFAOYSA-N	312.413	3.180	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCOCC(F)(F)F	111637280	NTTVRAKXCADQSR-WDEREUQCSA-N	303.324	3.417	10	20	DGCD	
Oc1ccccc1CN(CCc1ccncc1)C[C@H]1CCCO1	112600312	MOGKVKPDJPIMBF-GOSISDBHSA-N	312.413	3.011	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ncc[nH]2)c1	114124568	QVLIDSGVMMBKDT-UHFFFAOYSA-N	308.385	3.056	10	20	DGCD	
Cc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c[nH]c1=O	159601184	DPAYVFBKJBEJCE-UHFFFAOYSA-N	321.380	3.343	10	20	DGCD	
C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1ncccn1	164367827	MOQMAKKJVXGAHM-SECBINFHSA-N	322.459	3.350	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Cl)nc1	174515612	YICYAPKJCYSHDR-UHFFFAOYSA-N	316.788	3.249	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1F	181298103	FMOFEPYSTJUMPC-PCGIRMHASA-N	319.307	3.267	10	20	DGCD	
C[C@H](NC[C@H](CCO)c1ccccc1)c1cc(F)ccc1O	185526375	PRBKLIVASOGXTL-ZFWWWQNUSA-N	303.377	3.348	10	20	DGCD	
C[C@H](Nc1cnn(Cc2ccncc2)c1)c1ccc(F)cc1O	186389401	DNPLCUDNNAPTOJ-LBPRGKRZSA-N	312.348	3.344	10	20	DGCD	
C[C@H](NCCCOC(F)F)c1cc(Br)ccc1O	194033583	GLFVRKSEPARSHL-QMMMGPOBSA-N	324.165	3.435	10	20	DGCD	
C[C@@H](NCC1(NC(=O)OC(C)(C)C)CCC1)c1ccccc1O	230406510	UMUYRNWFKBRHOZ-CYBMUJFWSA-N	320.433	3.490	10	20	DGCD	
CCOc1cccc([C@H](C)NC(=O)NCc2ccccc2O)c1	263740669	OGWIHEXEVMZNQS-ZDUSSCGKSA-N	314.385	3.351	10	20	DGCD	
CS[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	270127087	LOQBGDLQUILBFD-ZDUSSCGKSA-N	306.475	3.385	10	20	DGCD	
COc1cc2c(cc1N[C@H](C)c1ccccc1O)NC(=O)CC2	274435709	WIZWXIJNQNCKAP-LLVKDONJSA-N	312.369	3.459	10	20	DGCD	
C[C@H](N[C@@H](C)c1ncnn1C)c1cc(Cl)c(Cl)cc1O	278387451	DKYPTLCKWUYJIG-YUMQZZPRSA-N	315.204	3.239	10	20	DGCD	
Oc1cccc2c1[C@@H](NCC1([C@H](O)c3ccccc3)CC1)CC2	297047281	VLCRVGJOFBQBAZ-QFBILLFUSA-N	309.409	3.483	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(C(F)(F)F)ccc1F	319168892	JCRNQEJTNRMPRA-UHFFFAOYSA-N	313.250	3.480	10	20	DGCD	
Cc1c(CNC(=O)c2cc(C(C)C)nn2C)n(C)c2ccccc12	348637298	VLDRVCHPOYZHLI-UHFFFAOYSA-N	324.428	3.274	10	20	DGCD	
Cc1c(CNC(=O)N2CCCSCC2)n(C)c2ccccc12	472222719	NPFVTCLEAIBMJU-UHFFFAOYSA-N	317.458	3.135	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCN(Cc3ccccc3)C2)c1O	691485673	ZSCPJEMQYCWEAS-LJQANCHMSA-N	310.441	3.319	10	20	DGCD	
Cc1ncsc1CN[C@H](C)c1ccc(N2CCOCC2)cc1	742368537	CGYXEYMNSOGHAX-CYBMUJFWSA-N	317.458	3.139	10	20	DGCD	
CC[C@@H](C)c1nc([C@H](C)NCc2ccc(N(C)C)c(F)c2)n[nH]1	752924569	HTYTWOZOCSUMII-NEPJUHHUSA-N	319.428	3.374	10	20	DGCD	
COC(=O)CC1(NCc2ccc(OC)c(C)c2)CCCCC1	756132903	SBAJAYDFOSPWPK-UHFFFAOYSA-N	305.418	3.359	10	20	DGCD	
C[C@@H]1C[C@H](NC2CCC3(CC2)OCCO3)c2c(O)ccc(F)c21	756416489	HRKAMLTZRSXBIQ-RISCZKNCSA-N	321.392	3.355	10	20	DGCD	
C[C@@H](NC[C@]1(C)CCOC1)c1ccc(Br)cc1O	756573362	JDKPPZKUIRXWIP-YGRLFVJLSA-N	314.223	3.232	10	20	DGCD	
Cc1ccncc1[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756674933	DOHVXYLZDKJKSN-NWDGAFQWSA-N	301.346	3.416	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)C[C@@H]1COc2ccccc2O1	768182208	WTXBTSRMXLORMC-CQSZACIVSA-N	319.788	3.317	10	20	DGCD	
COCCN(CCc1ccccc1)Cc1ccc(N(C)C)cc1	768583011	DMYVHUXFWZWRED-UHFFFAOYSA-N	312.457	3.444	10	20	DGCD	
COCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)CC(C)C	768586841	DETFUAQWBLFGEJ-UHFFFAOYSA-N	316.785	3.058	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1CCc2c[nH]nc2C1	769468375	GTPOJVOSVPPXRG-UHFFFAOYSA-N	305.381	3.341	10	20	DGCD	
CCC1(CC)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	776771655	LPHLURXJYXLNTM-INIZCTEOSA-N	305.418	3.220	10	20	DGCD	
CC[C@]1(C)CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1	785492372	AXDNWNLKCZRTSS-MRXNPFEDSA-N	311.809	3.249	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](c2ccnn2C)C(C)C)c1	788257667	CHMYTBAECYOXCC-CZUORRHYSA-N	317.433	3.225	10	20	DGCD	
COc1ccc2nc(CNCc3ccccc3O)sc2c1	788959754	BWKKWBPVHUOWHB-UHFFFAOYSA-N	300.383	3.300	10	20	DGCD	
CO[C@H](C)CN(C)Cc1c(O)ccc2oc3c(c12)CCCC3	795752493	TVPBNMLAICPNBZ-GFCCVEGCSA-N	303.402	3.484	10	20	DGCD	
c1nc([C@@H](NCc2ccc3c(c2)CCO3)C2CCCCC2)n[nH]1	813857495	VSCFXQSMXBURJP-KRWDZBQOSA-N	312.417	3.151	10	20	DGCD	
Cn1cc(/C=C2/C(=O)N3CCCc4cccc2c43)c(C(F)F)n1	817344946	ADMPMHCOPBKGKU-MDWZMJQESA-N	315.323	3.191	10	20	DGCD	
CCCN1C[C@H](CN[C@@H](C)c2cc(Cl)cc(C)c2O)CC1=O	817590053	SQRUIRPQUPUFMO-STQMWFEESA-N	324.852	3.263	10	20	DGCD	
CCCC[C@@H](CN)N[C@@H](C)c1cc(Br)ccc1O	817961680	CGVNXSPYRLWYEF-JQWIXIFHSA-N	315.255	3.323	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](O)Cc2cccc(Cl)c2)cc1	818941790	RNAGDKQVYYJLGK-GOSISDBHSA-N	318.848	3.099	10	20	DGCD	
C[C@H](C[C@H]1CCOC1)NCc1ccc(Br)cc1O	825347399	LECDKQBDACZHKB-GHMZBOCLSA-N	314.223	3.059	10	20	DGCD	
CCc1nnc(NCc2cc(C)cc(Br)c2O)o1	834478532	JBKBCMDWVJCLLV-UHFFFAOYSA-N	312.167	3.021	10	20	DGCD	
C[C@H](NC[C@H](C)CCCO)c1cccc(C(F)(F)F)c1O	834870808	KNWHJIDBWLSEEQ-MNOVXSKESA-N	305.340	3.470	10	20	DGCD	
CCC1(c2ccccc2)CN(C(=O)c2ccc(C)c(O)c2O)C1	838189092	KWYIEIDMWZRADV-UHFFFAOYSA-N	311.381	3.210	10	20	DGCD	
CCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)C	840480579	WZPWBVDEZAXPFU-HNNXBMFYSA-N	305.466	3.432	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccc2cnn(C)c2c1	840948086	QDWOTBVSXVHXSL-UHFFFAOYSA-N	308.429	3.238	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c(O)c1	843417079	OWYDAMCQMQWXSM-NVXWUHKLSA-N	305.418	3.182	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)C[C@H](C)N)c2C)c1	843504280	PBYRAVYPHRDAFD-UONOGXRCSA-N	313.445	3.258	10	20	DGCD	
CN(Cc1cc(C(C)(C)C)on1)c1ccc(OCC(=O)O)cc1	846279743	KDRFQWPDUPRABO-UHFFFAOYSA-N	318.373	3.072	10	20	DGCD	
Cc1nn(C(C)(C)C)cc1C(=O)NCc1cc(Cl)ccc1O	846473928	OLXHNMCZLRFPER-UHFFFAOYSA-N	321.808	3.236	10	20	DGCD	
CSC(C)(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	854947547	AKYHNFDORDOXGJ-CYBMUJFWSA-N	308.491	3.250	10	20	DGCD	
CCCCN(CCCO)Cc1c(O)cccc1Br	862367248	AQJMCRLJJXNJBV-UHFFFAOYSA-N	316.239	3.139	10	20	DGCD	
COc1ccc(CNCC2(C3CC3)CC2)cc1Cn1cccn1	873094171	AWXNKMSWFCWAIZ-UHFFFAOYSA-N	311.429	3.220	10	20	DGCD	
CCCCN1CCC(NC(=O)N[C@H](C)c2ccccc2O)CC1	875190371	BIQXWMLDFKYZEY-CQSZACIVSA-N	319.449	3.017	10	20	DGCD	
Cc1ccc(CNC[C@@H](CO)c2ccc(Cl)cc2)c(O)c1	877533442	QVMJFALXEZQXFZ-HNNXBMFYSA-N	305.805	3.220	10	20	DGCD	
Cc1cccc(O)c1CNC[C@]1(C)OCCc2sccc21	877538756	DFFCNUZKPWLVOR-KRWDZBQOSA-N	303.427	3.340	10	20	DGCD	
Cc1cccc2c1N[C@H](c1cc(F)c(N(C)C)cc1F)NC2=O	877845715	KUGMGAWXLCVRQS-INIZCTEOSA-N	317.339	3.193	10	20	DGCD	
COc1ccc(CCNCc2cc(F)cc(F)c2O)cc1F	882970427	CEZPYSHPSQYEDX-UHFFFAOYSA-N	311.303	3.150	10	20	DGCD	
CCCN1CCC(N(C)Cc2cc(C)cc(OC)c2O)CC1	893967522	NRGUCDNNAXYGMM-UHFFFAOYSA-N	306.450	3.015	10	20	DGCD	
CN(C)c1ccc(/C=C/CN2CCCCC[C@@H]2C(=O)O)cc1	902039115	LZIMDSFVXSBGSC-DKRLNXSXSA-N	302.418	3.095	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H](c1ccccn1)C1CC1	925535576	ZGKBXMQBFICJDR-KRWDZBQOSA-N	311.385	3.080	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21	932683881	QXKMHAQIHYXUNY-NJZULAAPSA-N	308.472	3.034	10	20	DGCD	
CN1C(=O)c2ccccc2N[C@H]1c1ccc(N2CCCC2)cc1	1115862242	KEWFZKHSAITUGM-GOSISDBHSA-N	307.397	3.483	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](C)C3)CC2)cc1	1116480352	IWFNNCRAWGPREA-JKSUJKDBSA-N	316.445	3.170	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCn2nc(C3CC3)cc2C1	1120047242	DXHQPJKWUDDYTR-UHFFFAOYSA-N	322.456	3.377	10	20	DGCD	
Nc1ccc(CNC(=O)NCCC[C@@H]2CC2(Cl)Cl)cc1	1120641117	YYLXUQZTRAKUOW-LLVKDONJSA-N	316.232	3.042	10	20	DGCD	
Cc1ccccc1CN(C)c1nnc(-c2sccc2O)n1C	1121366261	OFLLJULLOKEIGR-UHFFFAOYSA-N	314.414	3.194	10	20	DGCD	
OCCN(Cc1ccc(N2CCCC2)cc1)C1CCCCC1	1319310544	IPWTYASCQXUXTO-UHFFFAOYSA-N	302.462	3.414	10	20	DGCD	
CN(C)c1cc(F)c(CNCC2(CCO)CCCC2)cc1F	1328690116	UVFZCYPLQQCPDR-UHFFFAOYSA-N	312.404	3.063	10	20	DGCD	
O=C(O)/C=C/c1ccc(Sc2nccs2)c([N+](=O)[O-])c1	1608663880	RRHPQZQAYUCAAZ-DUXPYHPUSA-N	308.340	3.300	10	20	DGCD	
O=C(O)c1cncc(NCc2ccc(N3CCCCC3)cc2)c1	1610865983	XTLGAYBTHHLPRN-UHFFFAOYSA-N	311.385	3.382	10	20	DGCD	
CC[C@H](N[C@H](CC)CCO)c1cc(Br)ccc1O	119237413	XFEPTYVROVVSCI-YPMHNXCESA-N	316.239	3.356	10	20	DGCD	
Cc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)c(O)c1O	177659793	CLBCDEVWBQXZQL-UHFFFAOYSA-N	305.761	3.332	10	20	DGCD	
Cc1ccc(NC(=O)CN(C)Cc2cc(Cl)ccc2O)cc1	179532929	AGSFYQWDQZRXQK-UHFFFAOYSA-N	318.804	3.425	10	20	DGCD	
C[C@H]1CC[C@@H](CCC(=O)NCc2ccc3c(c2)CCCN3C)O1	175788038	DQCWRVPVOPNYLQ-YOEHRIQHSA-N	316.445	3.033	10	20	DGCD	
C[C@@H]1c2cccn2CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	179565267	HSYVTNRHFZNACV-SNVBAGLBSA-N	321.764	3.332	10	20	DGCD	
Cn1c(-c2ccc(N3CCOCC3)cc2)nc2cc(F)ccc21	75919716	VBVYUVASTGVXKD-UHFFFAOYSA-N	311.360	3.216	10	20	DGCD	
CSCC[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	77802817	AEWZFKYJPAJPPL-ZDUSSCGKSA-N	309.479	3.036	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@H](C)c2cnn(C)c2C)c1O	183360865	WPPYGIZSXYANFK-SECBINFHSA-N	321.808	3.141	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	134787559	PBZSVVNTXDSMDX-BHADISHBSA-N	303.402	3.009	10	20	DGCD	
O=C(NCc1ccccc1)NCc1ccc(N2CC=CC2)cc1	133906852	YKENDVBOHJSDFW-UHFFFAOYSA-N	307.397	3.062	10	20	DGCD	
COc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(F)c(F)c1O	191212943	PYANCCHYUOZAHV-YGRLFVJLSA-N	323.339	3.063	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC3(CCOCC3)C2)c1O	267343263	CUVYDLANIQVYGH-UHFFFAOYSA-N	323.820	3.251	10	20	DGCD	
COc1ccc(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)cc1C	267168874	HLMTUDGOTNCWJF-SCLBCKFNSA-N	303.377	3.354	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@H](O)c2ccc(C)o2)cc1	268997171	OBDBBVZWHVLOGP-YOEHRIQHSA-N	302.418	3.428	10	20	DGCD	
Cc1c(CNCc2cnc(C3CC3)nc2)n(C)c2ccccc12	459498935	CVPVBXULWYFXDR-UHFFFAOYSA-N	306.413	3.444	10	20	DGCD	
C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1O	273533099	WSTCRAXBSGXLMK-YPMHNXCESA-N	311.809	3.382	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@](O)(C(F)(F)F)CC1	289220299	CLNQQGHMJJMSLD-CYBMUJFWSA-N	323.742	3.325	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C2CC2)no1	281969226	NSDCPDAPUUININ-UHFFFAOYSA-N	300.358	3.310	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1cn[nH]c1	280216449	IOTIGNUQIGEXAS-JTQLQIEISA-N	312.339	3.345	10	20	DGCD	
Oc1cccc2c1[C@@H](Nc1ccn(CCc3ccncc3)n1)CC2	296957171	RAHYHOMRBMLTOR-INIZCTEOSA-N	320.396	3.326	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@@H](C[C@@H]2CCOC2)C1	809758536	PJIYNRGKYJAHJC-GJZGRUSLSA-N	305.418	3.039	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CC(F)(F)F)C2CC2)cc1	298267162	AIKLVEPBDFHDFB-UHFFFAOYSA-N	300.324	3.196	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN[C@@H]1CC12CCCCC2	395689961	ZQFQVJBPFQPGFL-GOSISDBHSA-N	300.446	3.336	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2[nH]ccc12	808093700	UTIAUDPXVYEOMQ-UHFFFAOYSA-N	315.369	3.289	10	20	DGCD	
COc1cc(O)c(CNc2cncc(Cl)c2C)cc1OC	295104624	KTYKTATZSPCRIJ-UHFFFAOYSA-N	308.765	3.378	10	20	DGCD	
CCCN1C(=O)N(c2cc(Cl)c(N)c(Cl)c2)C(=O)[C@H]1C	804211829	YRIPEMRREOAITP-SSDOTTSWSA-N	316.188	3.143	10	20	DGCD	
CN1Cc2ccccc2[C@@H](NCc2cc(Cl)c(F)cc2O)C1	816559922	YYZTYKHWODEDJG-INIZCTEOSA-N	320.795	3.461	10	20	DGCD	
C[C@](CO)(NCc1cc(Cl)c(F)cc1O)c1ccccc1	816550076	HTIVMHFHGJKBFE-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC[C@@H](O)c1ccccc1	819373083	AZELOEUXZWBFLE-OXJNMPFZSA-N	312.457	3.315	10	20	DGCD	
C[C@H](N[C@H]1CCN[C@H](C)C1)c1ccc(Cl)c(Cl)c1O	817972049	SREHQZPIAIMDDI-UTLUCORTSA-N	303.233	3.490	10	20	DGCD	
CN(C)c1ccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1F	811510699	NDUZHVXQCAPQFU-IRXDYDNUSA-N	306.425	3.281	10	20	DGCD	
CC(C)CN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817910520	URTDHJHMBMJAGI-UHFFFAOYSA-N	303.431	3.044	10	20	DGCD	
C[C@H]1CCCN(CCNCc2cc(Cl)c(F)cc2O)C1	816535287	LFAPKPUABAOOMK-NSHDSACASA-N	300.805	3.006	10	20	DGCD	
COc1ccc(F)cc1CNCc1ccc(N(C)C)cc1C	812756049	HYAMOYVDGWLYDO-UHFFFAOYSA-N	302.393	3.499	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)[C@@H](OC)C3CC3)CC2)cc1	825099378	YNOUWUOMGASPPX-AUUYWEPGSA-N	318.461	3.067	10	20	DGCD	
CCOc1ccc(CNC[C@@](C)(OC)c2ccccc2)c(O)c1	824780459	PUODJRWSEVQDFF-LJQANCHMSA-N	315.413	3.442	10	20	DGCD	
CCC1(c2ccccc2)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	838188282	ATYJSQZLZXZVLR-LUAWRHEFSA-N	323.392	3.301	10	20	DGCD	
CC[C@H](N[C@@H]1CCCN(CC)C1=O)c1cccc(Cl)c1O	903388225	LYQLPJZYPUJOLT-UONOGXRCSA-N	310.825	3.097	10	20	DGCD	
Nc1ccc(Cc2nc(-c3ccc(OCC4CC4)nc3)no2)cc1	843182800	IEWCPYHFGHSYBF-UHFFFAOYSA-N	322.368	3.093	10	20	DGCD	
CCc1cccc(CNC[C@@H]2CCCN(CC(C)C)C2)c1O	848900135	YALULSJFLXEKCA-INIZCTEOSA-N	304.478	3.412	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc(F)cc2Cl)cc1	841042940	MZWRKHFZDBMODW-KRWDZBQOSA-N	321.827	3.335	10	20	DGCD	
Cc1cc([C@@](C)(O)CNCc2ccc(N(C)C)cc2C)c(C)o1	840933649	IYKCVFNNINZVMC-IBGZPJMESA-N	316.445	3.268	10	20	DGCD	
CCC[C@@H](C)[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841956396	ALVUXXCMVGNPJJ-RHSMWYFYSA-N	303.450	3.422	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@H]1NCCc2ccccc21	841068859	JCINWPPMTZDZGK-MRXNPFEDSA-N	302.805	3.022	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CCN(C3CCCCC3)C1)CC2	850538925	OGWGKIGDIHOKQL-NVXWUHKLSA-N	300.446	3.376	10	20	DGCD	
O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(O)cs1	758716632	ZURWRFNQVJANJM-OCCSQVGLSA-N	321.373	3.243	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC1CCC1	852584987	VZMICCZSBSWBEP-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
C[C@H](NCCCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O	756629945	SRNUINWUZNXKCI-JTQLQIEISA-N	315.360	3.443	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1CC(F)(F)F)c1ccc(F)cc1O	926922757	RRRRPMUGMGXQEN-ZYHUDNBSSA-N	320.330	3.209	10	20	DGCD	
COc1cc(CNc2cnccc2CO)c(O)c(C(C)(C)C)c1	850222407	XMCZJBPKZPZEDP-UHFFFAOYSA-N	316.401	3.198	10	20	DGCD	
COc1cc(CN2CCC[C@H]2c2cc(C)no2)c(O)cc1C	768438986	DSDWYQWYNFKRFJ-AWEZNQCLSA-N	302.374	3.343	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cccc(CN3CCCC3)c2)c1	862758890	PJUKBIXMLNCSEC-UHFFFAOYSA-N	324.424	3.226	10	20	DGCD	
Cn1nc(C2CCCCC2)cc1NC(=O)c1cc(O)cs1	764348794	YKNRMLQPFIQLEG-UHFFFAOYSA-N	305.403	3.487	10	20	DGCD	
C[C@@H](Nc1ccc(C(=O)NC2CC2)cn1)c1ccc(N(C)C)cc1	772300316	ZUIDRESTZWCGBD-CYBMUJFWSA-N	324.428	3.213	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1O	773262209	OIZHEZOGFOTEFZ-HZPDHXFCSA-N	319.445	3.348	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@@H](C)CC2)c1O	775106816	KHWKKYZRDXMAEG-DGCLKSJQSA-N	308.378	3.367	10	20	DGCD	
Cc1cccc(O)c1CN[C@H]1CCN(c2ccccc2F)C1	877545327	FWUMHPAXPXIIJC-AWEZNQCLSA-N	300.377	3.208	10	20	DGCD	
Cc1ccc2nc(CNc3ccccc3NC(C)C)cc(=O)n2c1	871847897	ZLPPNWHMDXXKGE-UHFFFAOYSA-N	322.412	3.435	10	20	DGCD	
CCCOc1ccc(CN[C@@H](COC(C)(C)C)C(=O)O)cc1C	871877994	APGDDLDPUIEAAW-HNNXBMFYSA-N	323.433	3.142	10	20	DGCD	
COC(=O)c1oc([C@H](C)N[C@H](C)c2ccccc2O)cc1C	879649151	JRJRIKJVAKZZKV-NEPJUHHUSA-N	303.358	3.492	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]2c2cn(C)nc2C)c(O)c1	770305956	WYFOHUIIQPRBJT-QGZVFWFLSA-N	315.417	3.170	10	20	DGCD	
COC(=O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1	775831439	SCJOVOUYVWQZBW-AWEZNQCLSA-N	312.413	3.390	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CCC[C@H]1C	1122741968	CSVKYGAVEWLFPQ-LLVKDONJSA-N	306.435	3.357	10	20	DGCD	
C[C@H](NC1CCN(c2nccs2)CC1)c1c(O)cccc1F	886605823	ZHTPETGLJNJTMJ-NSHDSACASA-N	321.421	3.307	10	20	DGCD	
C[C@H](N[C@@H](CO)C[C@@H]1CCCO1)c1ccc2ccccc2c1O	886669864	FVKXRYBHWVHPAB-IMJJTQAJSA-N	315.413	3.126	10	20	DGCD	
Cc1cccc(CNCCn2nc(C(F)(F)F)cc2C)c1O	896273136	QHMBFZRARACATP-UHFFFAOYSA-N	313.323	3.014	10	20	DGCD	
COc1cccc(CN[C@@H](c2ccccc2)C(C)(C)CO)c1O	787770694	UYIAQSPLGFWQKX-SFHVURJKSA-N	315.413	3.250	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@H](C)NC(=O)CCCF)cc1C	1135212374	WIFCQPZLULORNF-CABCVRRESA-N	324.440	3.126	10	20	DGCD	
Cc1csc(NC(=O)CSc2ncc(Cl)s2)n1	799969829	BDMNKZQLHDVYNZ-UHFFFAOYSA-N	305.837	3.292	10	20	DGCD	
O=C(Cc1ccccc1F)Nc1c(Cl)ccc2nonc12	1339437949	MNPWCKAWNNPAGH-UHFFFAOYSA-N	305.696	3.197	10	20	DGCD	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCc1ccc(N)cc1	1335736683	FSHGTIHRQCTKSH-YOEHRIQHSA-N	309.413	3.356	10	20	DGCD	
CC(C)C[C@@H](C(=O)O)N(C)Cc1cc(Cl)c(F)cc1O	1603832311	PLTFTRKEOVQZQM-LBPRGKRZSA-N	303.761	3.116	10	20	DGCD	
Cc1cncc(/C=C/C(=O)N2CC[C@H](C(=O)O)c3ccccc32)c1	1594432634	RWGSRWQSEWWNIA-MOEXGYKKSA-N	322.364	3.008	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1	15832805	UTDZQONHIQPINC-UHFFFAOYSA-N	319.408	3.473	10	20	DGCD	
O=S(=O)(CCc1ccccc1)Nc1ccc(O)c(Cl)c1	149453278	NJAHNLWYXDHCIX-UHFFFAOYSA-N	311.790	3.030	10	20	DGCD	
C[C@H](O)C[C@@H](C)NCc1cc(Cl)cc(Br)c1O	708097941	ATUDMRWGGNALMD-SFYZADRCSA-N	322.630	3.057	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(C)C(C2CC2)C2CC2)cc1	51191587	YRKOGINFGBDDMY-UHFFFAOYSA-N	301.434	3.083	10	20	DGCD	
CCOc1ccc(N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1	305197892	USTFYGYIYOQESK-KRWDZBQOSA-N	316.357	3.163	10	20	DGCD	
COc1cccc(N2CCN(Cc3cccc(C)c3O)CC2)c1	179565528	HHHXAIRXMSNBLT-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2ccccc2Cl)c1	305779202	RKIGPVSGZJLSCR-PIGZYNQJSA-N	321.804	3.438	10	20	DGCD	
CC(C)C(=O)NC[C@H]1CCCN(Cc2c(O)cccc2Cl)C1	124143468	QRJPEWHIRRRBFX-CYBMUJFWSA-N	324.852	3.030	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2C)cc1Cl	128365740	GSISPJRFGCTIJR-VMPITWQZSA-N	319.792	3.067	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2cccc(F)c2)c1	182366096	MCDGARNMIWQNLE-GFCCVEGCSA-N	305.349	3.270	10	20	DGCD	
COCC1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	70081434	KVYSDMMGJOTRJF-UHFFFAOYSA-N	311.809	3.107	10	20	DGCD	
C[C@@H](NCC[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O	187927227	BNFNMBDRVCYIMU-FZKQIMNGSA-N	303.377	3.480	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCC3=CCNCC3)c2C)c1	186353026	QMAPFUQGVFAJKM-UHFFFAOYSA-N	323.440	3.052	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2ccccc2)cc1Cl	121860798	HERJSLUELMWVMA-UHFFFAOYSA-N	304.777	3.424	10	20	DGCD	
C[C@H](CCCNC(=O)OC(C)(C)C)NCc1ccccc1O	289969042	XGLRUNBHYQIFHB-CYBMUJFWSA-N	308.422	3.175	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@@H]1OC	80484864	HMFYSSXPAUGNRB-WBVHZDCISA-N	320.433	3.271	10	20	DGCD	
C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2O)C1	193100909	QRRKOBZETMEZLI-ABAIWWIYSA-N	315.344	3.460	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(=O)n(C)c2)cc1	194401891	AEGGSSXZKHBQSN-UHFFFAOYSA-N	321.380	3.045	10	20	DGCD	
Cc1ccc(-c2nc(CC(=O)Nc3ccc(N)cc3)cs2)o1	237776406	OLHZJOHTXCVEQD-UHFFFAOYSA-N	313.382	3.475	10	20	DGCD	
CCOc1cccc(CN[C@H](CCO)c2ccccc2)c1O	265851782	IGBQINUXNUYDCU-MRXNPFEDSA-N	301.386	3.004	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCn2cnc3ccccc32)c1	273396617	MBWJYPXMAIDUQZ-ZDUSSCGKSA-N	311.385	3.101	10	20	DGCD	
Cc1cccc(C(=O)NCCN[C@@H](C)c2ccc(C)cc2O)c1	273443709	ZFFRFKNXGCBZKG-HNNXBMFYSA-N	312.413	3.090	10	20	DGCD	
CCONC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	275093959	ITCOQJLTWNPYJI-UHFFFAOYSA-N	317.389	3.009	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2ccccc2[N+](=O)[O-])c1	273608577	UYZVWMJTJVMGPJ-LBPRGKRZSA-N	316.357	3.202	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)C(F)(F)F)CC2)cc1	373785565	FOWULCJAUSJDAZ-NSHDSACASA-N	302.340	3.204	10	20	DGCD	
COC[C@@H](CN[C@H](C)c1ccc(N2CCCCCC2)cc1)OC	272699695	RTMVZLNDPAEKRP-VQIMIIECSA-N	320.477	3.379	10	20	DGCD	
CC[C@@H](NCc1nnc2n1CCCC2)c1cccc(Cl)c1O	287599350	INJZDIOLWBNJPK-CYBMUJFWSA-N	320.824	3.214	10	20	DGCD	
O=C(NCc1ccccc1O)c1nc(-c2ccccc2)cs1	801173030	JAZOBLVGYBRICX-UHFFFAOYSA-N	310.378	3.446	10	20	DGCD	
Cc1cccc(CNC[C@]2(C)OCCc3sccc32)c1O	291700830	YYTTYXJGSFLTLG-KRWDZBQOSA-N	303.427	3.340	10	20	DGCD	
CN(C)C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1	290201595	USKDMYNQYPTTEN-IBGZPJMESA-N	315.436	3.284	10	20	DGCD	
COCc1cc([C@H](C)NCCc2ccc(N)cc2)ccc1OC	817955911	LAWGIEJDZIFZJY-AWEZNQCLSA-N	314.429	3.317	10	20	DGCD	
Cc1cccc(NCCNCc2ccc3ccccc3c2O)n1	816563378	WCSLVMTWOWIBJU-UHFFFAOYSA-N	307.397	3.451	10	20	DGCD	
CC[C@H](C1CCCC1)N1C(=O)CN(Cc2ccccc2O)C1=O	819169042	FXHLUVOHXBLHGI-OAHLLOKOSA-N	316.401	3.125	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@H]2CNC[C@@H]2C1)c1cccc(Cl)c1O	817987342	SUUWCANCBHPJEL-JFILPPLUSA-N	308.853	3.474	10	20	DGCD	
COc1cc(CN(CC(C)(C)O)C2CC2)c(O)c(C(C)(C)C)c1	825561656	DZCJOJFFEOFBPB-UHFFFAOYSA-N	321.461	3.434	10	20	DGCD	
CO[C@@H](CNCc1cc(Cl)ccc1O)Cc1ccccc1	824589450	CWKUHYIMQOZGCJ-MRXNPFEDSA-N	305.805	3.393	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1O	827923442	QDWKKKDIESTPHA-GFCCVEGCSA-N	324.380	3.232	10	20	DGCD	
C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccncc1	901705734	GBNXLRWFUPKRTE-HNAYVOBHSA-N	312.461	3.101	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H](C)c2nc(C)no2)cc1	738299314	NNKWIEGXEFFXFU-CYBMUJFWSA-N	302.422	3.417	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CCO1	904504725	SBWHEMGJRHJOPF-ZFWWWQNUSA-N	301.390	3.161	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(F)ccc1O	834890094	CWXFBLWNFOGIMB-PNPHSEOMSA-N	316.376	3.497	10	20	DGCD	
C[C@H](NCC[C@@H](C)CCO)c1cccc(C(F)(F)F)c1O	834829947	AGIJUFUEFBIGSR-MNOVXSKESA-N	305.340	3.470	10	20	DGCD	
CC(C)Oc1ccc(NC(=S)NCc2cccc(F)n2)cc1	747722597	UAYBNOLLAGHHPD-UHFFFAOYSA-N	319.405	3.495	10	20	DGCD	
CCc1ncsc1NC(=O)N[C@H](C)c1cc(OC)ccc1O	747376283	UGMBQRCXRWWCFJ-SECBINFHSA-N	321.402	3.302	10	20	DGCD	
O=C(O)c1cccc(CNCCCSc2nccs2)c1	840994551	HIASNAPCVZVRPO-UHFFFAOYSA-N	308.428	3.113	10	20	DGCD	
Cc1ccc2c(c1)N(C(=O)NCc1ccc(N(C)C)cc1)CC2	746706246	NCXCUZJMKABAHI-UHFFFAOYSA-N	309.413	3.333	10	20	DGCD	
C[C@H](NC(=O)C1SCCCS1)c1ccc(N(C)C)cc1	841187536	XOWVLYDBHUCZRR-NSHDSACASA-N	310.488	3.126	10	20	DGCD	
CCOC(=O)C[C@@H](CNC(=O)Nc1ccc(N)cc1)CC(C)C	846311473	WCOPQKWAYAKHAD-ZDUSSCGKSA-N	321.421	3.006	10	20	DGCD	
CCN(Cc1cc(OC)cc(C)n1)c1ccc(OC)c(OC)c1	757085275	VEAUNBYGYIGODA-UHFFFAOYSA-N	316.401	3.442	10	20	DGCD	
CCN(C(=O)COc1ccc(N(C)C)cc1)C1CCCCC1	757705870	ZOBXJYHZOBXVPQ-UHFFFAOYSA-N	304.434	3.313	10	20	DGCD	
CCc1noc(CC)c1CNCc1cc(F)c(N(C)C)cc1F	858149304	GIISDEGBXUVIOZ-UHFFFAOYSA-N	323.387	3.433	10	20	DGCD	
COc1cc(CN(Cc2ccccc2O)C2CCCC2)on1	851771769	OCOVWSNZGXTIMP-UHFFFAOYSA-N	302.374	3.334	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](O)CNCc1c(O)cccc1Cl	850411994	QRBYNSFOMKIVLL-PXAZEXFGSA-N	305.805	3.300	10	20	DGCD	
CN(C)c1cc(F)c(CNCC2CCSCC2)cc1F	858136090	HOUOZMWJUBFHTQ-UHFFFAOYSA-N	300.418	3.264	10	20	DGCD	
CCOc1ccc(O)c(CNCc2nc3c(s2)CCC3)c1	922469979	JRNPQGDHTGOMAW-UHFFFAOYSA-N	304.415	3.026	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc2c1CNC2	852799400	DWNJDJKPGYPOFC-UHFFFAOYSA-N	310.397	3.048	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCOC(C)(C)C)c1	850524287	BGTPQJVDQPVIDP-GFCCVEGCSA-N	309.406	3.035	10	20	DGCD	
CO[C@H]1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1	858585354	FVMHXUXOLNNRJW-UMVBOHGHSA-N	324.852	3.005	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccc(O)cc1	764138848	LBPUYEWETPHLSI-WDZFZDKYSA-N	310.397	3.096	10	20	DGCD	
CC[C@@H](NC[C@H]1C[C@@H](N)C1)c1ccc(Cl)c(Cl)c1O	873252426	RPLDVUONOCIIPX-VDDIYKPWSA-N	303.233	3.477	10	20	DGCD	
CN1CCN(c2ccc(CNCCC3=CCCCC3)cc2)CC1	771818359	MSWWUOIILAQSAZ-UHFFFAOYSA-N	313.489	3.419	10	20	DGCD	
Cc1ccc(CNC[C@@](C)(O)c2ccccc2Cl)c(O)c1	877374858	PPTLKVKCHJGYGT-QGZVFWFLSA-N	305.805	3.351	10	20	DGCD	
CC1(C)N[C@H](c2cccc(F)c2O)N(CC2CCCCC2)C1=O	877857006	JYQOHAVOLBTDDM-INIZCTEOSA-N	320.408	3.321	10	20	DGCD	
C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCO1	776342432	GPRNRJWSGKQXHA-NVXWUHKLSA-N	316.445	3.108	10	20	DGCD	
COCC[C@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N	782483734	SUSAUHWWOMHYCE-JTQLQIEISA-N	308.403	3.077	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cc(F)cc(F)c2O)c1	883156229	INWJDNGOLNKXMW-SECBINFHSA-N	309.312	3.235	10	20	DGCD	
C[C@H](c1ccsc1)N1CCN(Cc2ccc(N)cc2)CC1	1120370861	HSGIEYOBHUFMJZ-CQSZACIVSA-N	301.459	3.209	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)c(O)c1O	781048276	HHLIHKWVVUQLKO-ZJUUUORDSA-N	317.307	3.209	10	20	DGCD	
Cc1cccc(O)c1CNc1cccc([C@@]2(C)COC(=O)N2)c1	895637316	IGFFCXOEGUJAOQ-GOSISDBHSA-N	312.369	3.268	10	20	DGCD	
COc1ccc(CN2CCc3cccc(C)c3C2)c(O)c1OC	894037306	ZNINOXBXEUOOLZ-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
CC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCCO1	799162362	RGTRBTSVLZJHNZ-HNNXBMFYSA-N	307.434	3.396	10	20	DGCD	
COc1ccc(CNC(=O)NCC[C@H]2CCCC[C@@H]2C)c(O)c1	792943884	ZRFZSYCRZKERLF-UONOGXRCSA-N	320.433	3.416	10	20	DGCD	
COc1cccc(CNC(=O)CSCc2cccs2)c1O	1318304424	UIIOGWAZXHFFAV-UHFFFAOYSA-N	323.439	3.012	10	20	DGCD	
O=C(Cc1ccc(F)cc1)Nc1c(Cl)ccc2nonc12	1320947216	SZXMZLJLTFSCEQ-UHFFFAOYSA-N	305.696	3.197	10	20	DGCD	
COc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1F	1256175195	GKYCWORDAHMSKL-UHFFFAOYSA-N	321.695	3.276	10	20	DGCD	
N[C@@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1	1261370584	NRYGCVSNGGCQEP-GOSISDBHSA-N	307.441	3.177	10	20	DGCD	
O=C(O)c1cnc(Sc2nc(C3CC3)nc3c2CCC3)s1	1602535202	VZOZNUKDVCACIR-UHFFFAOYSA-N	319.411	3.149	10	20	DGCD	
Cc1ccc(NC(=O)N(C)Cc2ccccc2O)c(C(=O)O)c1	1610507493	ADVWQKMZESUWPR-UHFFFAOYSA-N	314.341	3.063	10	20	DGCD	
COc1ccc(CNCCCN(C)C(=O)[C@@H](C)C(C)C)cc1C	1754401090	QCXVUOGHTNMHTA-INIZCTEOSA-N	320.477	3.234	10	20	DGCD	
CC[C@H](Sc1ccccc1)C(=O)NCCc1ccc(N)cc1	152531932	AKENBOHNKFHCHX-KRWDZBQOSA-N	314.454	3.498	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)c3ncon3)c2C)c1	155462017	QAVZSGZIZHOKKK-CYBMUJFWSA-N	324.384	3.277	10	20	DGCD	
C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1F	156646220	QWSOIQXTTKKBIB-GFCCVEGCSA-N	317.360	3.089	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F	159084441	RVJOAYFPQIGRIP-MNOVXSKESA-N	317.307	3.083	10	20	DGCD	
CN(C)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	156067387	LOMXVAITJHESML-LBPRGKRZSA-N	303.233	3.225	10	20	DGCD	
CC[C@H](NCCn1ccnc1)c1cc(Br)ccc1O	41119162	RRNLDRJUTVIHND-ZDUSSCGKSA-N	324.222	3.092	10	20	DGCD	
O=C([C@H]1CC=CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	71798973	NUZAYUFCUMOLRC-DOTOQJQBSA-N	315.413	3.256	10	20	DGCD	
C[C@@H](N[C@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1	90036401	OZOUYRPVIHVJCB-ZBFHGGJFSA-N	304.409	3.422	10	20	DGCD	
C[C@@H](N)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	110644078	ZSDLWFBIWQJLOS-SECBINFHSA-N	303.233	3.258	10	20	DGCD	
COc1ccc(N(C)Cc2nc(CCC(C)C)no2)cc1F	121748312	GXIQVSHZMBWRIX-UHFFFAOYSA-N	307.369	3.442	10	20	DGCD	
COC(=O)c1occc1CN(C)c1ccc(OC)c(Cl)c1	121872029	WFTKZWVWALRHBE-UHFFFAOYSA-N	309.749	3.365	10	20	DGCD	
CCCC[C@@H](COC)NC(=O)NCc1ccc(N(C)C)cc1C	133327349	IEJUNYRMIKOUKS-INIZCTEOSA-N	321.465	3.065	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)/C=C/SCc1ccco1	152587698	USTPCMNSCDHVBL-CSKARUKUSA-N	303.383	3.391	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@@H]1CCN(CC(F)(F)F)C1	158108129	RCJRRUSWKLLTSG-JTQLQIEISA-N	322.758	3.019	10	20	DGCD	
C[C@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1O	176985510	UKYKRGHVAJBDEW-QWRGUYRKSA-N	320.330	3.066	10	20	DGCD	
COCCC[C@H](C)NCc1ccc(N2CCSCC2)cc1	178204746	BRKHCQUVUYUWFB-HNNXBMFYSA-N	308.491	3.145	10	20	DGCD	
COc1cccc(CNC(=O)C(C)(C)c2ccccc2C)c1O	178260499	OWPUGBSWJAJZHN-UHFFFAOYSA-N	313.397	3.303	10	20	DGCD	
COc1ccc(O)c(CN(C)CCOc2ccccc2C)c1	179620692	HPAMVHSRBKSFKX-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
Cc1cccc(CN2CCO[C@@]3(CCc4ccccc43)C2)c1O	180414827	DUPKABWPEOWUFU-FQEVSTJZSA-N	309.409	3.375	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](COCC(C)C)c2ccco2)c1	181376666	GHTRNCNYUWYFMR-INIZCTEOSA-N	319.401	3.497	10	20	DGCD	
C[C@H]1CN(C(C)(C)CN[C@@H](C)c2cc(F)ccc2O)C[C@@H](C)O1	184912813	FWZQUXSFTPKREJ-MJBXVCDLSA-N	324.440	3.070	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@](C)(O)c2ccsc2)c1	185529026	PYILAMGWWRESSV-BDJLRTHQSA-N	307.415	3.021	10	20	DGCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(OC(F)F)cc1	186878832	PRJSMOMPDZHQOU-VIFPVBQESA-N	323.295	3.190	10	20	DGCD	
Oc1cc2c(cc1CN[C@@H]1CCSc3ccccc31)OCO2	238137752	GUUVMUZUDIUGAI-CYBMUJFWSA-N	315.394	3.448	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1C	278308855	DZCURHBOQYNGRC-SWLSCSKDSA-N	317.351	3.144	10	20	DGCD	
CCCCN(Cc1ccccc1O)C[C@H]1CC2(CCC2)C(=O)O1	282386011	GIVYFBGWTSNLFZ-MRXNPFEDSA-N	317.429	3.480	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cc(Br)ccc2O)n(C)n1	284447790	SIAWQHPBKZTMCJ-SNVBAGLBSA-N	324.222	3.047	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@H]2c2ccncc2)cc1OC	289972918	ZFXMYTSVEYKUFT-HNNXBMFYSA-N	314.385	3.142	10	20	DGCD	
Oc1cccc2c1[C@H](NCCc1ccn(-c3ccccc3)n1)CC2	297570766	GPCWUIJYSOXZGA-GOSISDBHSA-N	319.408	3.398	10	20	DGCD	
CCCN(Cc1ccccc1O)c1cc(C)c([N+](=O)[O-])cn1	301798910	ZOARLCOXIPLSOJ-UHFFFAOYSA-N	301.346	3.420	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NC1C[C@@H]2CC[C@H](C1)N2C	322553619	BPUNGLOXQYPGPE-NIOBXDJOSA-N	300.446	3.464	10	20	DGCD	
Cc1c(CNC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)n(C)c2ccccc12	471909268	YUMOBYITZAXVOD-DZKIICNBSA-N	311.429	3.475	10	20	DGCD	
CC(C)(C)c1ncc(/C=C/C(=O)N2CCc3ccncc32)s1	492399934	PUXUALUWWKKIKH-SNAWJCMRSA-N	313.426	3.438	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)c(C)c2)c1	728979496	WTUMOGHJWIXCRX-LLVKDONJSA-N	303.333	3.339	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCc1ccccn1	729259165	JIQNZIAZQGAZMQ-UHFFFAOYSA-N	311.429	3.129	10	20	DGCD	
CCO[C@H](C)c1nc(COC(=O)c2cc(O)cs2)cs1	736824412	JCQCNNCUPIIDDD-MRVPVSSYSA-N	313.400	3.365	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1	756454358	MBLVPGBGKYUZDG-JONQDZQNSA-N	320.477	3.418	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cccc(CO)c2)c2c(O)ccc(F)c21	756547331	AVSUZJJKXFHLLN-XHDPSFHLSA-N	301.361	3.362	10	20	DGCD	
CC(C)[C@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccccc1	758548159	POPNDIUOYQYLCN-KRWDZBQOSA-N	314.337	3.162	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1c1ccccc1)[C@@H](O)CO2	768441436	LNUKAKRRNSFNSB-WMZOPIPTSA-N	311.381	3.155	10	20	DGCD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccccc1O	769362829	KNBMYMKUYVNVDZ-QGPMSJSTSA-N	319.445	3.486	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@@H](c2c(F)cccc2F)C1	769656415	GDZFTDATBWGQPT-SECBINFHSA-N	309.337	3.362	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(C)cc1)Cc1ccccc1O	770510015	HADILBHAIIZAOJ-UHFFFAOYSA-N	313.397	3.266	10	20	DGCD	
Cc1csc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	773136926	CBWHQQBTLSGFFI-LBPRGKRZSA-N	318.446	3.078	10	20	DGCD	
C[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@H](C)O1	773428299	LMAQTHDGZMZYLX-HLPPOEQASA-N	319.449	3.069	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(F)c(C)c2)c1O	774963718	FKTDLTUNFHYQBX-UHFFFAOYSA-N	320.320	3.046	10	20	DGCD	
COc1ccc(O)c(CN2C[C@@H](C)Oc3c(F)cccc32)c1	776009920	YZLCAKSBSBTQOY-LLVKDONJSA-N	303.333	3.327	10	20	DGCD	
CCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1	776748029	SCDFNTSZTXVGMV-UHFFFAOYSA-N	321.398	3.290	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)C1CCSCC1	779014158	WAXNADMQUBUEAT-OAHLLOKOSA-N	320.502	3.145	10	20	DGCD	
COCC[C@@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N	782483737	SUSAUHWWOMHYCE-SNVBAGLBSA-N	308.403	3.077	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2(COC)CCC2)cc1	785756239	UOWHLVZSCPLWLT-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CC(C)Oc1c(F)cc(NC(=O)c2cccc(O)c2O)cc1F	790926239	IQPSVOHXONEUPX-UHFFFAOYSA-N	323.295	3.416	10	20	DGCD	
C[C@@H](CCNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCO2	793602247	VUJMSKLWDQNHPK-ZDUSSCGKSA-N	320.433	3.014	10	20	DGCD	
C[C@@H](N[C@H](CCO)Cc1ccccc1)c1cc(F)ccc1O	799728570	CKWOEPPKJUAMGC-CZUORRHYSA-N	303.377	3.176	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCO[C@H](C(F)(F)F)C1	806141206	QHADYTIHOYDHAE-ZFWWWQNUSA-N	316.367	3.261	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(O)ccc2Cl)cc1F	810265995	SWZPQJHTWYZWNW-UHFFFAOYSA-N	322.767	3.181	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[C@H](OC)C1	814640628	MRSODCQPKXBDNC-AEFFLSMTSA-N	318.461	3.306	10	20	DGCD	
C[C@H](NCCN1CC[C@@H](C)C1)c1cccc(C(F)(F)F)c1O	815585986	WTXZRCBLMLRZMD-NEPJUHHUSA-N	316.367	3.403	10	20	DGCD	
C[C@H](NCC1=CCCOC1)c1cccc(C(F)(F)F)c1O	815626560	HCENNPTTZUDULJ-JTQLQIEISA-N	301.308	3.408	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](CO)NCc1cc(Cl)c(F)cc1O	816550443	RCUXXEIFFLTUPY-ZBEGNZNMSA-N	323.795	3.439	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)N1C	816653057	DJSDKGLXIXNZAY-CALCHBBNSA-N	301.478	3.201	10	20	DGCD	
COc1ncc(/C=C/C(=O)N(C)c2cc(Cl)ccc2C)cn1	818809778	XBQJKWYCNDWOKV-FNORWQNLSA-N	317.776	3.123	10	20	DGCD	
CCC[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819583704	ZCINYRDAAXMHTA-LSDHHAIUSA-N	304.434	3.074	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1	823702680	QRJDZAWBOGHXDC-SFHVURJKSA-N	320.452	3.455	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H]2CCCN2)cc1	826020035	OEYIRMHFEPJNIT-KRWDZBQOSA-N	317.477	3.023	10	20	DGCD	
CN(CC1=CCSC1)Cc1cccc(Br)c1O	827806868	WZGUZKWQFGDQGV-UHFFFAOYSA-N	314.248	3.260	10	20	DGCD	
COc1cccc(C)c1/C=C1/SC(N2CCCCC2)=NC1=O	834408829	NDYOBIMGVLTEQE-RVDMUPIBSA-N	316.426	3.460	10	20	DGCD	
CCOC1CN(Cc2ccc(OCc3ccccc3)cc2O)C1	839131294	QYMQWPXKZLGGPH-UHFFFAOYSA-N	313.397	3.192	10	20	DGCD	
CC[C@@H](C)N(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840488744	NGSUBGYADBFRRE-LSDHHAIUSA-N	305.466	3.432	10	20	DGCD	
CC[C@H](CCC(=O)O)NCc1cc(Cl)cc(Cl)c1O	841812475	VNMCNXKABTVMCS-SNVBAGLBSA-N	306.189	3.432	10	20	DGCD	
C[C@H](CN)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	843487355	DLUZQVODOMNEBJ-HUUCEWRRSA-N	312.413	3.077	10	20	DGCD	
CC1=C(C)C[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	843851875	SLFIXYFDODRJIP-UKRRQHHQSA-N	303.402	3.282	10	20	DGCD	
C[C@@H](NCCC1CCNCC1)c1cc2c(cc1O)CCCC2	844926440	UJJDSKOXYWSCRT-CQSZACIVSA-N	302.462	3.311	10	20	DGCD	
CC(C)CCNC(=N)NCc1cc(Cl)cc(Cl)c1O	849028769	XWLQDWVQKCOYIA-UHFFFAOYSA-N	304.221	3.359	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC([C@H]3CCCNC3)CC2)c1	849350286	NATBSVHKRDRUJF-INIZCTEOSA-N	318.461	3.003	10	20	DGCD	
Cc1ncc(CNCc2ccc(N3CCC(C)CC3)cc2)n1C	850128393	ATULUPYJLIQEPR-UHFFFAOYSA-N	312.461	3.255	10	20	DGCD	
COC[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)C(C)C	850158884	SZWUURWQSOERNO-MRXNPFEDSA-N	309.450	3.459	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1	850356331	OMJZXKNEODVQTF-TVTNDZMWSA-N	322.518	3.312	10	20	DGCD	
CCc1nn(C)c(Sc2ncc(Cl)s2)c1[N+](=O)[O-]	853965504	YERJZZRVJUDKDQ-UHFFFAOYSA-N	304.784	3.152	10	20	DGCD	
CCOCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863162271	AOPQXIWCWGEIBG-UHFFFAOYSA-N	300.402	3.055	10	20	DGCD	
CN(Cc1c(C(F)(F)F)nn(C)c1Cl)c1ccc(N)cc1	863558517	LYVBJQRBZLNLKS-UHFFFAOYSA-N	318.730	3.311	10	20	DGCD	
C[C@@H]1CCCC[C@@]1(C)n1cc(COc2ccc(N)cc2)nn1	864630647	LNYVFMXAEBPLLC-CXAGYDPISA-N	300.406	3.365	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](CC)[C@H](O)c2ccccc2)c1	873193200	JSOVLRVBOFUYRJ-PKOBYXMFSA-N	315.413	3.393	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@@H]1C[C@@H](OCC)[C@@]12CCCO2	877478523	NLAZPXFGYXVDEP-GUDVDZBRSA-N	318.461	3.088	10	20	DGCD	
COc1cccc(CN[C@H](C)[C@@H](OC)c2ccccc2)c1O	877525621	JOJIZRLNOWHFNA-FZKQIMNGSA-N	301.386	3.267	10	20	DGCD	
Cc1ccsc1CNCc1ccc(N2CCN(C)CC2)cc1	883284285	JVCNAYFELZCAKA-UHFFFAOYSA-N	315.486	3.098	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@@H](C)c1c(O)cccc1F	886557124	TUOAJIJRGFXKIJ-NSHDSACASA-N	305.397	3.240	10	20	DGCD	
C[C@H]1CCCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	888589579	MFZRCIDAUUMQEW-ZDUSSCGKSA-N	321.384	3.413	10	20	DGCD	
COc1cc(C)cc(CN(C)C(C)(C)CN2CCCC2)c1O	895026093	UWAZKQHIAWEJGV-UHFFFAOYSA-N	306.450	3.015	10	20	DGCD	
COC(=O)[C@@H]1C[C@H](C)CCN1Cc1ccc(N2CCCC2)cc1	1116655632	VBVZRQLDFXKFDE-QAPCUYQASA-N	316.445	3.060	10	20	DGCD	
CC(C)[C@]1(CO)CCN(Cc2cc(Cl)c(F)cc2O)C1	1324333079	FCANZIFPNQGAOV-OAHLLOKOSA-N	301.789	3.025	10	20	DGCD	
CC[C@H](NCCc1nc(C(C)C)no1)c1ccc(F)cc1O	1327888925	GXQUKQHJFHAQJQ-ZDUSSCGKSA-N	307.369	3.321	10	20	DGCD	
CC[C@]1(C)CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1337043041	XERMKPDEHHRKAR-LJQANCHMSA-N	319.468	3.200	10	20	DGCD	
Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N)cc2)n1	1346738660	IXOUAMLWVCDGOC-QGZVFWFLSA-N	310.401	3.019	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C	1349296217	MRFDAHAXIGODJY-QGZVFWFLSA-N	318.461	3.497	10	20	DGCD	
C[C@H]1[C@H](C)CCN1c1nnc(-c2sccc2O)n1CC1CC1	1518345889	RVOBBGOLVHHGDJ-MNOVXSKESA-N	318.446	3.357	10	20	DGCD	
CCc1cccc(CN2CCC[C@H](C(C)(C)C(=O)O)C2)c1O	1597587265	VGYKBUHEDHLLPH-HNNXBMFYSA-N	305.418	3.277	10	20	DGCD	
C[C@H](NC[C@@H](C)c1nccs1)c1cc(C(=O)O)ccc1O	1604186073	VVUCWVQTGNUWKT-ZJUUUORDSA-N	306.387	3.001	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2CC[C@@](C)(C(=O)O)C2)c(C)c1	1776856922	WTWAIMRIHHJSNF-CRAIPNDOSA-N	304.434	3.184	10	20	DGCD	
CN(C)c1ccc(CN(c2ccc(C(=O)O)cn2)C2CC2)cc1	1777039623	WIDBTMXYTXPERY-UHFFFAOYSA-N	311.385	3.015	10	20	DGCD	
CCCN(CC(=O)N1CCCC[C@H]1C)Cc1ccccc1O	174371778	FWGHMBSKRVDIAR-OAHLLOKOSA-N	304.434	3.005	10	20	DGCD	
CC1(C)CCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	176513389	IHBDOTNRSYYINT-QGZVFWFLSA-N	313.445	3.441	10	20	DGCD	
Cc1cc(C(=O)N2CCSC[C@H]2C)c(C)n1-c1ccccn1	172455763	IYFPKSCKWFPRRZ-CYBMUJFWSA-N	315.442	3.067	10	20	DGCD	
Cc1ccc2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)[nH]c2c1	186411261	RUXRQRDYMUYDEE-GFCCVEGCSA-N	324.380	3.249	10	20	DGCD	
CC[C@](C)(NCc1cc(OC)c(OC)cc1O)c1nccs1	182371663	XFRGGIACUJJQAS-INIZCTEOSA-N	322.430	3.281	10	20	DGCD	
CC(C)c1cc(C(=O)NCc2ccc3c(c2)CCCN3C)no1	121093059	NOJZADDWYJTIMX-UHFFFAOYSA-N	313.401	3.110	10	20	DGCD	
C[C@H](NCCc1cnn(C)c1)c1ccc(N2CCCCC2)cc1	127780251	IUPRTHPXHMWWPO-INIZCTEOSA-N	312.461	3.304	10	20	DGCD	
Cc1nn(C)cc1CN1CCCc2cc(OC(F)F)ccc21	184748443	NSSFJQLWGUPDER-UHFFFAOYSA-N	307.344	3.283	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@](C)(O)c2ccsc2)c1	185528987	PYILAMGWWRESSV-BZNIZROVSA-N	307.415	3.021	10	20	DGCD	
C[C@H]1CN(Cc2cccc(Br)c2O)CC(C)(C)O1	133109181	NJOBRJMUWYOBBU-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
CC[C@H](N[C@H](CO)C(C)C)c1cc(Br)ccc1O	92393355	ABVIQBQGHNNLLJ-QWHCGFSZSA-N	316.239	3.212	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)C(C)C)CC2)cc1	363529866	KIDUJCXDLKSJGE-OAHLLOKOSA-N	304.434	3.026	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](CO)Cc2ccc(F)cc2)c(O)c1	273386994	JSVCRSXJYIQCBU-ZBFHGGJFSA-N	317.404	3.342	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1nc(C2CCC2)cs1	282900593	CACMQTOXJREOBA-UHFFFAOYSA-N	303.387	3.438	10	20	DGCD	
COCCC1(CNC2CCN(c3ccc(OC)cc3)CC2)CC1	373140688	OAUBRDLUELWUDL-UHFFFAOYSA-N	318.461	3.070	10	20	DGCD	
CC[C@@H](NC1CCC2(CC1)OCCO2)c1ccc(F)cc1O	285567174	HOUOTQZCAQXLOC-OAHLLOKOSA-N	309.381	3.258	10	20	DGCD	
Cc1ccc(OCCCC(=O)NCc2ccc(N)cc2)cc1C	297116037	GCHCWKUXURERSE-UHFFFAOYSA-N	312.413	3.361	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](CO)CC(F)(F)F)c1O	808707859	AXQQACXKCGBOIN-WPRPVWTQSA-N	311.731	3.318	10	20	DGCD	
C[C@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C(C)(C)C1	380402774	RAZSPOUJRCHNKR-OKPNEXGHSA-N	304.346	3.317	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3CCC3(C)C)ccc21	806021092	CUJHXMLYDMRLMX-MRXNPFEDSA-N	301.434	3.057	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CCCOC2)cc1	804289146	OSQUMELVKWSZOT-GOSISDBHSA-N	312.413	3.345	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NC2CCCC2)C2CC2)cc1	298865031	UJKYIMQFZQUTGV-UHFFFAOYSA-N	301.434	3.369	10	20	DGCD	
O=C(OC[C@H]1CCCO1)N(Cc1ccccc1O)C1CCCC1	805010853	NKRMZSJJCACFDH-MRXNPFEDSA-N	319.401	3.452	10	20	DGCD	
COC(=O)c1cccc(CNCc2cc(Cl)c(F)cc2O)c1	816610441	KLQWXCXKXIYWML-UHFFFAOYSA-N	323.751	3.261	10	20	DGCD	
CCC[C@@]1(CO)CCCN1Cc1cc(Cl)c(F)cc1O	816592224	CLVQKZPOYNVGNT-HNNXBMFYSA-N	301.789	3.312	10	20	DGCD	
C[C@@H](NCC[C@H]1CCNC1)c1ccc(N2CCCCC2)c(F)c1	817954823	KVEJTMZFZXCNLH-HZPDHXFCSA-N	319.468	3.466	10	20	DGCD	
OCCC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1	825338396	QCPSJLVGZGAQIX-JTQLQIEISA-N	304.217	3.293	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCN(C2CC2)C1	824445472	AFZAXSFAKDIZQA-NSHDSACASA-N	312.816	3.101	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N[C@H](C)c1ccccc1O	827937218	OYRSUZGSENLSFC-IQUTYRLHSA-N	313.397	3.124	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCO[C@H](c3ccncc3)C2)cc1C	824952721	DIUCBTCULKKKPM-MJGOQNOKSA-N	312.413	3.414	10	20	DGCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@@H](CO)c1ccccc1	824696391	MHCNTZVTEBXXHB-AWEZNQCLSA-N	309.768	3.350	10	20	DGCD	
COc1ccc(O[C@@H](C)CN[C@@H]2CCc3cccc(O)c32)cc1	834606214	GGJZAUQNXZPYRR-SUMWQHHRSA-N	313.397	3.445	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c(O)c1	839191818	KCINWTXROVEREV-CVEARBPZSA-N	307.434	3.473	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1cc(OC)ccc1O	838474314	IDZGXJCEDARDDE-CHWSQXEVSA-N	306.406	3.026	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@@H]1Cc2ccccc21	742073667	JOMRFMDSKPHGHU-CYBMUJFWSA-N	304.440	3.081	10	20	DGCD	
CCc1cccc(CN[C@H]2CCN(c3ccccc3F)C2)c1O	848912497	GNFKHALGPFOGJQ-INIZCTEOSA-N	314.404	3.462	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC([C@@H]3CCNC3)CC2)cc1	843128334	WFYGAQISFCBMNT-LJQANCHMSA-N	315.505	3.354	10	20	DGCD	
Cc1cc(-c2nc(Cc3ccc(N)cc3)no2)nn1C(C)(C)C	843160435	YFSAZEPSGDAGOX-UHFFFAOYSA-N	311.389	3.170	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1nnc(C2CC2)o1	840383903	AXZFVRDVGYORMY-GFCCVEGCSA-N	300.406	3.365	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CCCC13CCOCC3)CCCO2	922102678	NYMVJKXZIRCTNV-GOSISDBHSA-N	301.430	3.451	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H]2CCCC23CCOCC3)c1O	846168719	UNGZDLTVMRQDOV-CZUORRHYSA-N	305.418	3.401	10	20	DGCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CCO1	841296250	RWEMNHPXVDAGPE-HOTGVXAUSA-N	305.422	3.374	10	20	DGCD	
Nc1ccc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1	841298635	RISQOAFZGBSXAS-OAHLLOKOSA-N	303.406	3.272	10	20	DGCD	
O=C(O)[C@@H](CNCc1cc(Cl)cc(Cl)c1O)CC1CC1	844288354	DEBYMXAMGBGUBY-SNVBAGLBSA-N	318.200	3.290	10	20	DGCD	
CNC(=O)CC1(CNCc2cc(Cl)ccc2O)CCCCC1	850399402	LEVPYSIJTKERJU-UHFFFAOYSA-N	324.852	3.222	10	20	DGCD	
C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C	758320836	ZMKOERFHWOABSG-FMKPAKJESA-N	303.450	3.377	10	20	DGCD	
O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc(O)cs1	753849826	GDMDGWSHTFEGSK-DOMZBBRYSA-N	317.410	3.351	10	20	DGCD	
C[C@@H](NCCCN1CCCCC1=O)c1cc(Cl)ccc1O	756553718	HVAGSYFWQVHMGL-GFCCVEGCSA-N	310.825	3.099	10	20	DGCD	
CSc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2)o1	854271874	TYIXECIOBWDSQP-UHFFFAOYSA-N	304.415	3.306	10	20	DGCD	
CN(C)c1ccc(OC[C@H]2CCN(C(=O)c3ccccc3)C2)cc1	853693155	OLBNSPCPPCMVHL-INIZCTEOSA-N	324.424	3.294	10	20	DGCD	
C[C@H](NC[C@H](C1CC1)N(C)C)c1cc2c(cc1O)CCCC2	756434408	XALYFNUYNVKVDJ-SCLBCKFNSA-N	302.462	3.262	10	20	DGCD	
CCOc1cccc(CNc2ccccc2C[S@](C)=O)c1O	762790269	CWRULXLCZPRPIG-QFIPXVFZSA-N	319.426	3.282	10	20	DGCD	
O=C(NCCCSc1nccs1)N1CC[C@H](C2CC2)C1	764442763	UENHGLOOPRDLGF-LBPRGKRZSA-N	311.476	3.067	10	20	DGCD	
CCOc1ccc(CN[C@H](CC)C(=O)OC(C)(C)C)c(O)c1	763503860	XWXCDWJPTKZTEK-CQSZACIVSA-N	309.406	3.001	10	20	DGCD	
C[C@@H](NC[C@](C)(O)C1CC1)c1ccc(N2CCCCC2)cc1	765931745	QONMMXRUQZOBFM-BEFAXECRSA-N	302.462	3.489	10	20	DGCD	
CN(c1ccc(CNC(=O)CC2COC2)cc1)C1CCCCC1	769693936	TYVFALVGJWHZGI-UHFFFAOYSA-N	316.445	3.108	10	20	DGCD	
Cc1cccc(O)c1CN1CCO[C@@H](c2ccccc2F)C1	876682981	QBTIYUAPWLBPAF-GOSISDBHSA-N	301.361	3.413	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)OCCO2)c1c(O)cccc1F	886489282	DWWIQFZRTPZJRM-NSHDSACASA-N	303.333	3.153	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(N(C)C)cc1	773009907	PXVKAVGKASMIRD-RDTXWAMCSA-N	314.429	3.145	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CCOC(C)(C)C3)CC2)cc1	773107205	MEPBJQTUISJLGJ-INIZCTEOSA-N	318.461	3.211	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N)cc1	1120592199	RTRQVLQCVGAJTF-UHFFFAOYSA-N	313.401	3.096	10	20	DGCD	
C[C@@H](NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1O	783517763	IXWFSWOZFQKEQO-LLVKDONJSA-N	312.348	3.167	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(Cl)c1C	783587694	FLRCWYFHKUIRQY-UHFFFAOYSA-N	305.761	3.298	10	20	DGCD	
C[C@@](O)(CNCc1cccc(Cl)c1O)c1cccc(F)c1	896563694	LDANZODIEBJGDQ-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
CCc1ccc([C@H](O)CNCc2cc(C)cc(OC)c2O)cc1	894739206	JXPZDFSYMWWOIQ-QGZVFWFLSA-N	315.413	3.095	10	20	DGCD	
COc1ccc(CN[C@@H](c2ccccn2)C2CC2)c(O)c1OC	896609486	OHDWFUCNRXNJTK-MRXNPFEDSA-N	314.385	3.045	10	20	DGCD	
COc1cc(NCc2ccc(OC)c(OC)c2O)ccc1F	893867702	PXQKPHYPGGJSLO-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
Cc1c(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)cnn1C	798182030	PVHIYKJTRSGVCQ-VIFPVBQESA-N	313.323	3.304	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CC[C@H]3C3CC3)CC2)cc1	798003840	IPZDPGPRTCEJIA-OALUTQOASA-N	300.446	3.442	10	20	DGCD	
CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	799859736	WSKYOKPQHDPWKO-LBPRGKRZSA-N	309.841	3.395	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1nocc1C	1325655258	JFAQTBSQUCZNMG-ZDUSSCGKSA-N	316.405	3.110	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccc(N)cc1)c1ccc(OC)cc1	1335910948	LXNWYPBMDQZWIL-KRWDZBQOSA-N	313.401	3.228	10	20	DGCD	
O=C(O)C[C@H]1CCCN1Cc1cc(-c2ccccc2)ccc1O	1610763599	ZVMHKYXZQGHAQX-QGZVFWFLSA-N	311.381	3.498	10	20	DGCD	
CC(C)N(CCCN[C@H](C)c1cc(C(=O)O)ccc1O)C(C)C	1593264358	IECBZMSTIVOMFW-CQSZACIVSA-N	322.449	3.250	10	20	DGCD	
CCN(CC)c1ccc(CNC2CCN(C3CC3)CC2)cc1F	152040804	YRQYWMWHIWBBPQ-UHFFFAOYSA-N	319.468	3.388	10	20	DGCD	
C[C@@H]1C[C@@H](CNCc2c(O)cccc2Br)[C@@H](C)O1	686508364	OPWAZFXGPXZZOC-MXWKQRLJSA-N	314.223	3.058	10	20	DGCD	
CC1(C)CN(Cc2cccc(Br)c2O)CCCO1	386597431	KLUFRGKQOGWDLH-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
O=C(CSc1nccs1)c1ccc(N2CCCC2=O)cc1	52914134	YBPDABWRWIVTMI-UHFFFAOYSA-N	318.423	3.245	10	20	DGCD	
CCc1nnc(CN(C)Cc2ccc(N3CCCCC3)cc2)o1	54116880	XCXPKEYOAQHXEN-UHFFFAOYSA-N	314.433	3.254	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)CCCC(C)C)c1O	73430103	PVPINBPZOJUJCK-ZDUSSCGKSA-N	308.422	3.415	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)C[C@H](C)O)cc1	77118209	LYFPPNSYINJGGI-CJNGLKHVSA-N	314.429	3.231	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCC[C@H]1O	77204231	VYPMTIGARYDXNA-TVQRCGJNSA-N	304.217	3.340	10	20	DGCD	
COC[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1	93337315	BZTOVPMINLCGCR-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2ccco2)C1	113359213	VYBUTCZISHTOBI-HNNXBMFYSA-N	320.820	3.393	10	20	DGCD	
CN(C)c1ccc(NCc2cc3c(cc2O)OCO3)cc1Cl	120139504	GSLZHDQCGUWNGN-UHFFFAOYSA-N	320.776	3.452	10	20	DGCD	
CCc1ccccc1NC(=O)CN(C)c1ccc(OC)c(F)c1	121817963	XLJIARJKINFWLD-UHFFFAOYSA-N	316.376	3.472	10	20	DGCD	
COc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1O	140400819	AVJSUCZVDIYBJU-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccncc1	156470464	UACHKOSPRINPCG-HNNXBMFYSA-N	313.470	3.486	10	20	DGCD	
CC(C)(C)[C@@H](Cn1ccnc1)NCc1cccc(Cl)c1O	158118088	PWAAGNGBALZIFC-CQSZACIVSA-N	307.825	3.447	10	20	DGCD	
COc1ccc(NCc2cc(Br)ccc2O)cn1	162820102	ITNDVDJBHACRSY-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCCC[C@H]2C)c1	172072402	PNSWSNWLGFNOTN-CHWSQXEVSA-N	306.406	3.026	10	20	DGCD	
C[C@H](NCCCOC[C@@H]1CCCO1)c1cc(Cl)ccc1O	184902936	LASNIHWESYXENH-JSGCOSHPSA-N	313.825	3.282	10	20	DGCD	
CCCOc1ncccc1CN[C@H](C)c1cc(OC)ccc1O	185143228	NOBMFHMDUALVAO-CYBMUJFWSA-N	316.401	3.435	10	20	DGCD	
CC[C@H]1[C@@H](C)CCN1C(=O)NCCCSc1nccs1	185648649	SKLDGNWXFCZZQB-RYUDHWBXSA-N	313.492	3.455	10	20	DGCD	
CC[C@@](C)(O)CN[C@H](C)c1cc(Br)cc(C)c1O	187180900	NNDWCVVRAGHYHP-QMTHXVAHSA-N	316.239	3.275	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCSC[C@H](C)C2)c1O	190426701	YQGGURCPEMMYRD-SNVBAGLBSA-N	313.850	3.433	10	20	DGCD	
Cc1cccc(C)c1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	190920849	GDXYBBMIPKPOQC-ZDUSSCGKSA-N	314.385	3.467	10	20	DGCD	
OCCCCCNCc1ccc(OCc2ccccc2)cc1O	193161731	MWVBITVACCPYTD-UHFFFAOYSA-N	315.413	3.223	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)Cc3cccnc3)cc2)CC1	264935317	OVMLWCJSLLGFIM-UHFFFAOYSA-N	323.440	3.177	10	20	DGCD	
O=C1/C(=C\c2cccnc2)SC(=S)N1C(C1CC1)C1CC1	265346567	ZLZQXUBTEAGNDS-MDWZMJQESA-N	316.451	3.471	10	20	DGCD	
C[C@H](NC1CCN(c2nccs2)CC1)c1ccc(F)cc1O	281434512	CIEPMENKFPMXEX-NSHDSACASA-N	321.421	3.307	10	20	DGCD	
CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccc2C)C1	283176129	DTTWRMMZDVDLJD-IWAYRVGRSA-N	308.381	3.008	10	20	DGCD	
COc1cc(N2CCCc3occc3C2)c([N+](=O)[O-])cc1OC	289055946	MPEBOBIPSRQHCR-UHFFFAOYSA-N	318.329	3.158	10	20	DGCD	
COc1cccc(C2(CNCc3cccc(OC)c3O)CC2)c1	290024447	ZVASWEIOOBYJGU-UHFFFAOYSA-N	313.397	3.231	10	20	DGCD	
CN1CCC(N(Cc2ccco2)Cc2ccccc2O)CC1	290454609	MPCLDDPMESXZDD-UHFFFAOYSA-N	300.402	3.082	10	20	DGCD	
CCOCC(C)(C)NCc1cc(Br)ccc1O	293074170	VRZLBJFFVLTYCT-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)c1ccc2c(c1)CC(=O)N2C	297601028	IANPEBMXABCSGF-LRDDRELGSA-N	322.408	3.249	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2nccc3ccccc23)cc1F	303000776	HTDCCOQFNSKNEK-UHFFFAOYSA-N	323.371	3.370	10	20	DGCD	
CO[C@@]1(CN[C@@H](C)c2ccc3ccccc3c2O)CCOC1	317882185	UNJJBKUEVQSFTF-SCLBCKFNSA-N	301.386	3.002	10	20	DGCD	
Cc1c(CNC(=O)N(C)Cc2ccncc2)n(C)c2ccccc12	350086719	UVAZWRILEXSWLR-UHFFFAOYSA-N	322.412	3.223	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCc3ccccc3CC2)c1O	391294339	WPBVVCGTGVCTSG-UHFFFAOYSA-N	313.372	3.335	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)CN[C@H](C)c1ccccc1O	697891556	ZAIHLIVYAPNTIU-CHWSQXEVSA-N	308.422	3.204	10	20	DGCD	
COC(C)(C)CCNCc1ccc(Br)cc1O	711835624	MCEAFDLKFOKTIB-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
O=C(OCc1cc(Cl)c2c(c1)OCO2)c1cc(O)cs1	731909657	HWBFNINAQPKBHX-UHFFFAOYSA-N	312.730	3.193	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](NC(C)C)C2)c1O	750045236	NLXHEYFJMSZWQE-HNNXBMFYSA-N	324.852	3.211	10	20	DGCD	
CCc1cccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1O	751388178	CPZDXTKWWZZUKH-NSHDSACASA-N	315.369	3.160	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC(C)(C)C2CCCC2)c1	753633966	GSVYHNGLEIJQOW-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
C[C@@H]1C[C@@H](NC2CCC3(CC2)OCCO3)c2c(O)ccc(F)c21	756416481	HRKAMLTZRSXBIQ-BXUZGUMPSA-N	321.392	3.355	10	20	DGCD	
C[C@@H](NC[C@@H]1COc2ccccc2C1)c1ccc(F)cc1O	756458184	UGCVLBJGTCJWAK-CHWSQXEVSA-N	301.361	3.433	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2	756545704	ODKXZXFIAFFLHA-XJKSGUPXSA-N	300.446	3.158	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1cc(F)ccc1O	756586718	TXTYRWOYOQLUEI-MEBBXXQBSA-N	301.365	3.358	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2c(C)cccc2F)c1	756612472	XDXCBNQLJDQCGU-LBPRGKRZSA-N	317.360	3.477	10	20	DGCD	
COc1ccc(N(C)Cc2c(C)nc3ccccn23)cc1OC	759330525	MZNNNPCDEBUABJ-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(CCCO)C2CC2)cc1	765231562	CSHIVAVKARGHAM-UHFFFAOYSA-N	312.413	3.081	10	20	DGCD	
C[C@H](NC1CCN(CC(F)F)CC1)c1ccc(N(C)C)cc1	765505240	UYCBWRPEFFPFTA-ZDUSSCGKSA-N	311.420	3.133	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](C)[C@@H]2C)cc1	765982725	IKQAILGMDONVMP-HOTGVXAUSA-N	312.413	3.344	10	20	DGCD	
CCOc1nnc(CN2CCCCc3cc(OC)ccc32)s1	766267292	AYISOXIZKMWWBS-UHFFFAOYSA-N	319.430	3.288	10	20	DGCD	
COc1ccc(CNC(=S)Nc2cc(C)ccc2F)nc1	766512322	JZNGOYMSEXXRNW-UHFFFAOYSA-N	305.378	3.024	10	20	DGCD	
C[C@@H](O)CN(Cc1ccccc1)Cc1cc(Cl)ccc1O	768891316	CNFVNOBPKPAMCH-CYBMUJFWSA-N	305.805	3.429	10	20	DGCD	
CCOc1ccc(O)c(CNc2cc(OC)ccc2OC)c1	770409577	MOFSSIGHDBDWFA-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
CCOc1ccc(OC)cc1NC(=O)c1ccc(C)c(O)c1O	770484115	WAWLQEZRSXCBCM-UHFFFAOYSA-N	317.341	3.066	10	20	DGCD	
O=[N+]([O-])c1c(F)cccc1NNC(=S)Nc1ccccc1	790605870	ABVOYAHKXBQICE-UHFFFAOYSA-N	306.322	3.047	10	20	DGCD	
Cc1ccc(C[C@@H](CO)NCc2c(O)ccc(Cl)c2F)cc1	790990803	FWVVSCUSKCSINS-ZDUSSCGKSA-N	323.795	3.186	10	20	DGCD	
CC(C)(CNCc1c(O)ccc(Cl)c1F)CN1CCCC1	791011667	VMCNYKKYXIZUAM-UHFFFAOYSA-N	314.832	3.396	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(C(F)F)cc2)c(O)c1	794381345	OUFCIGMPTFAXBM-UHFFFAOYSA-N	307.296	3.268	10	20	DGCD	
CC[C@@H](NCCCOC[C@@H]1CCOC1)c1ccc(F)cc1O	796781043	UMSNEMUVUNFOBU-XJKSGUPXSA-N	311.397	3.015	10	20	DGCD	
C[C@@H](CCO)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800493770	QHKOPPKWJMSAJJ-KGLIPLIRSA-N	310.869	3.437	10	20	DGCD	
Oc1cc2c(cc1CN1Cc3cccc(Cl)c3C1)OCO2	808202673	OGHVEJMFKFLSDJ-UHFFFAOYSA-N	303.745	3.290	10	20	DGCD	
CNC(=O)Oc1cccc(NCc2cc(C)c(C)cc2O)c1	813791508	JSQPXZHDAKEYAU-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(N(C)C)c(C)c2)cc1O	815060511	VEALFLWFKQDFSK-UHFFFAOYSA-N	314.429	3.407	10	20	DGCD	
CCOCc1cc(CNC[C@]2(O)CCCC2(C)C)ccc1OC	815146183	CDVVTCODQQZEQU-LJQANCHMSA-N	321.461	3.263	10	20	DGCD	
C[C@@H](N[C@H]1CCCNCC1)c1cccc(C(F)(F)F)c1O	817969545	WSGMVWNDQCZSCG-MNOVXSKESA-N	302.340	3.204	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3ncccc3F)C2)cc1	819935212	LKEBHYZHQOZYAS-CYBMUJFWSA-N	301.365	3.168	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C=CCC1	821085596	HQRUHIDZAVAFNS-INIZCTEOSA-N	301.434	3.391	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCCN1C	822757242	UIPKNRGWSZLECV-INIZCTEOSA-N	304.434	3.005	10	20	DGCD	
Cc1cc(C(=O)NCCCSc2nccs2)nn1C(C)C	823297832	ISLURZIJXZCKDF-UHFFFAOYSA-N	324.475	3.141	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@]2(c3ccccc3)CCCO2)c1	827167911	UGCZUTBMQLVEKP-IBGZPJMESA-N	311.381	3.023	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@H](F)C3)cc2)CC1	836290344	YFXJMIBACWAFJS-INIZCTEOSA-N	319.424	3.176	10	20	DGCD	
Cc1ncc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)s1	839919120	PPVJPEBCHFCLDQ-GFCCVEGCSA-N	317.458	3.187	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](C2CCN(C)CC2)C1	840949347	WZZPLUPXEAGXQP-IBGZPJMESA-N	315.505	3.225	10	20	DGCD	
CCN(Cc1cc(OC)c(OC)cc1O)Cc1occc1C	840969663	HMRPVAVYTWPUGN-UHFFFAOYSA-N	305.374	3.333	10	20	DGCD	
C[C@H](NCCC(=O)Nc1ccccn1)c1ccc(Cl)cc1O	841746383	FRNVRSLZPBFVIN-NSHDSACASA-N	319.792	3.120	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CCc3ccc(C)cc32)cc1OC	846055445	MCWLNNCUNUQOHL-MRXNPFEDSA-N	313.397	3.495	10	20	DGCD	
CCOc1ccc(N[C@@H](C)c2cccc(OC)c2O)cc1CO	846158604	BILDHFAYYFIHSS-LBPRGKRZSA-N	317.385	3.465	10	20	DGCD	
CCc1cccc(CNC2(CO)C3CC4CC(C3)CC2C4)c1O	848917315	QLANYUIOUDFUJX-UHFFFAOYSA-N	315.457	3.231	10	20	DGCD	
C/C=C\C[C@@H](CO)NCc1cc(OC)cc(C(C)(C)C)c1O	850249577	DJRJGWFWPYZPBD-AFNCTOJWSA-N	307.434	3.115	10	20	DGCD	
Nc1ccc(Cc2noc(CC[C@@H]3CC3(Cl)Cl)n2)cc1	854135040	WHODYCXPKWBMLP-SNVBAGLBSA-N	312.200	3.369	10	20	DGCD	
COc1cc(CN2CC[C@@H](C)[C@H](CO)C2)c(O)c(C(C)(C)C)c1	857060660	CZMVEYTVGOSXPS-HIFRSBDPSA-N	321.461	3.149	10	20	DGCD	
Cc1cc(CN(C)Cc2c(O)cccc2Br)no1	862222771	BCZIBAWZURFYHL-UHFFFAOYSA-N	311.179	3.083	10	20	DGCD	
CC[C@@H](CSC)NCc1ccc(OC)c(Cn2cccn2)c1	873100810	FJUUEQUMFNLOTE-INIZCTEOSA-N	319.474	3.171	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@H]1C[C@@H](O)c1ccco1	876807470	FASODUOLSUIYHP-WMLDXEAASA-N	301.386	3.382	10	20	DGCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)C1CC(C)(C)C1	877584143	CWFIEXXMXYLCRO-UHFFFAOYSA-N	302.462	3.268	10	20	DGCD	
Cc1ccc(CN2CC[C@]3(CC(=O)c4ccccc4O3)C2)c(O)c1	877589769	RDIIBTHFQUWWSO-FQEVSTJZSA-N	323.392	3.311	10	20	DGCD	
COc1ccc(N2CCC(Nc3cncc(OC)c3)CC2)cc1	877664872	XCBCWYLBHQKMLQ-UHFFFAOYSA-N	313.401	3.180	10	20	DGCD	
COc1ccc(CNC[C@H](CC2CCCC2)C(=O)O)cc1C	900082953	BMSZQCDOTINQRE-INIZCTEOSA-N	305.418	3.374	10	20	DGCD	
Cc1cc(CCNC(=O)N2CC[C@@H]2C)c(C)n1-c1ccccc1	920041523	BSQZFVZOMGNWET-AWEZNQCLSA-N	311.429	3.440	10	20	DGCD	
Cc1ccc2nc(CNCc3ccc4c(c3)CCCO4)[nH]c2c1	921807830	QIIAOPVRECUNRF-UHFFFAOYSA-N	307.397	3.486	10	20	DGCD	
FC(F)CN1CCC(CNCc2ccc3c(c2)CCCO3)CC1	922274978	PTVCSVHFVUOMEA-UHFFFAOYSA-N	324.415	3.078	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCc1cc(C)on1	935854536	CHMDZLVYNYAVKI-UHFFFAOYSA-N	316.401	3.450	10	20	DGCD	
Cc1cc(CNC(=O)[C@H](C)n2ccnc2)c(C)n1-c1ccccc1	1118953067	MGFARNDUTCYCQG-INIZCTEOSA-N	322.412	3.168	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(CSC(C)(C)C)n1C	1121321629	CQZAYWHSDOOMTA-UHFFFAOYSA-N	320.462	3.189	10	20	DGCD	
CCOCc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1	1320066457	VYGRELAMNSETJU-UHFFFAOYSA-N	301.342	3.195	10	20	DGCD	
CCNC(=O)C1(CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)CCC1	1326305214	JNNNJXDCTGQALG-KBPBESRZSA-N	316.445	3.145	10	20	DGCD	
CC(=O)N1Cc2ccc(N[C@@H]3CCc4cccc(O)c43)cc2C1	1328091263	MVWOCQFRHDAXRE-QGZVFWFLSA-N	308.381	3.354	10	20	DGCD	
CC(C)NC1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1337026152	NSXKSOUQEMOQFV-UHFFFAOYSA-N	301.478	3.249	10	20	DGCD	
Fc1ccc(-c2nn[nH]n2)c(Sc2ncc(Cl)s2)c1	1581853198	GRGOHIPTHBYZPU-UHFFFAOYSA-N	313.770	3.267	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc2c(c1)CCO2	54802429	MMEMYPQPDJJQNU-PTNGSMBKSA-N	314.410	3.078	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1	55877441	NYECAFLHUQJJKF-MRXNPFEDSA-N	314.429	3.090	10	20	DGCD	
C[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	125967595	VLWCMAZGMGALSH-RDJZCZTQSA-N	313.445	3.441	10	20	DGCD	
Cc1cc(C)nc(NC(=O)NCCCSc2nccs2)c1	125824335	KIGVBLJEUNBPTG-UHFFFAOYSA-N	322.459	3.459	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCCOCC1	180984527	SRVBTDOSMGIHKI-AWEZNQCLSA-N	318.442	3.455	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(F)c(SC)c2)c1	128005881	NBMCWVGMOLTFKO-UHFFFAOYSA-N	321.373	3.192	10	20	DGCD	
CC[C@@H](C)CC(=O)NCc1ccc(N2CCSCC2)cc1	188921137	HPSPYHSAWLVJCA-CQSZACIVSA-N	306.475	3.292	10	20	DGCD	
O=C(COC1CCCCC1)NCCCSc1nccs1	74136386	BFSJUKJLCLIMFU-UHFFFAOYSA-N	314.476	3.091	10	20	DGCD	
COc1cc(OC)cc(N(C)C(=O)/C=C/c2scnc2C)c1	188236992	XCXQTLYIAIIPLR-AATRIKPKSA-N	318.398	3.145	10	20	DGCD	
COc1ccc(O)c(CN(C)[C@H](C)Cc2ccccc2OC)c1	321976078	BWAZOKZXLPZHCO-CQSZACIVSA-N	315.413	3.472	10	20	DGCD	
CC[C@@H](C(=O)OC)N(C)Cc1ccc(N2CCCCC2)cc1	194565147	DMXOVZRWOTUMLY-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
Cc1c(CNC(=O)c2cnn(C(C)(C)C)c2)n(C)c2ccccc12	352111547	LMDWSMYHVRWBGL-UHFFFAOYSA-N	324.428	3.368	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H]1CCCCO1	272044852	CWXXTTLTYACMAT-PBHICJAKSA-N	320.433	3.271	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC12CCC(CC1)C2	368358484	VITPRGUQNIOFCP-UHFFFAOYSA-N	311.429	3.195	10	20	DGCD	
Cc1cc(O)c(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1C	368248518	FDQCQUWCIMOPKS-MRXNPFEDSA-N	319.445	3.027	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2CCOCc3ccccc32)s1	279623736	YZKUEWYKNVUBCQ-VOTSOKGWSA-N	300.383	3.028	10	20	DGCD	
Cc1cccc(CN2CCC(=O)Nc3cc(F)ccc32)c1O	378131298	VAYGMKDBMCHIHF-UHFFFAOYSA-N	300.333	3.189	10	20	DGCD	
Cn1ccnc1[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	373230618	NQUGLRLGNCMCIM-LBPRGKRZSA-N	305.809	3.159	10	20	DGCD	
CC[C@@H](c1ccccc1O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1	294887907	WDUBDKOLWZFUHU-HOCLYGCPSA-N	318.461	3.457	10	20	DGCD	
C[C@H](Nc1ccc(F)cn1)c1ccc(N2CCOCC2)cc1	804378510	UPRCLWXRMIAMEJ-ZDUSSCGKSA-N	301.365	3.230	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cncc(F)c1	807835257	BSZWBPKZZHVGLL-UHFFFAOYSA-N	315.131	3.163	10	20	DGCD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N)cc1	297118239	GHXVNHWTFRMYLJ-JQFCIGGWSA-N	304.434	3.259	10	20	DGCD	
COc1cccc(CNCc2nc3c(s2)CCCC3)c1O	809740168	NLRJNQCESLUALR-UHFFFAOYSA-N	304.415	3.026	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H](C(=O)O)CC[C@H]2C)cc1	817881154	PEYMUBSSQYOOBA-GDBMZVCRSA-N	304.434	3.218	10	20	DGCD	
C[C@@H](N[C@H]1CCCNCC1)c1ccc(N2CCCCC2)cc1	817969085	QZRWJUPJVPJBPP-AEFFLSMTSA-N	301.478	3.470	10	20	DGCD	
C[C@H](N)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1	817997646	UCNDCBJKLXLTKY-ZDUSSCGKSA-N	324.424	3.221	10	20	DGCD	
CC[C@@](C)(CNC1CCN(c2ccc(OC)cc2)CC1)OC	824743642	KASKMAFBWKAGOH-SFHVURJKSA-N	306.450	3.069	10	20	DGCD	
COc1cccc2c1CCCCN2C(=O)/C=C(\C)c1cnccn1	827667454	GQZFTXNLWCEVQL-WYMLVPIESA-N	323.396	3.258	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(NCC2CC2)nc1)c1ccccc1O	827946810	SGFFUMRMIGDSFK-GFCCVEGCSA-N	311.385	3.100	10	20	DGCD	
CCC(=O)c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1	588407231	BMFQJTLSLAHLOV-CLFYSBASSA-N	311.337	3.342	10	20	DGCD	
COc1cccc(CN(C)c2ccc(OCCN(C)C)cc2)c1	732411214	VIBOTOVOKVZPQJ-UHFFFAOYSA-N	314.429	3.272	10	20	DGCD	
Cc1nccc(-c2cccc(NC(=O)c3cc(O)cs3)c2)n1	732268091	ASHYJYBTSQMFBC-UHFFFAOYSA-N	311.366	3.471	10	20	DGCD	
CC1CCC2(CC1)OC[C@H](CN[C@@H]1CCc3cccc(O)c31)O2	834736933	BSJXPDJKGZDKBZ-QHZMEWJKSA-N	317.429	3.291	10	20	DGCD	
Cc1nnc(-c2ccc(C(=O)N(C)Cc3ccccc3O)cc2)o1	748026979	JLQHONQHTDAULC-UHFFFAOYSA-N	323.352	3.023	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])c1O	846146238	LTPXHLPMYDWEML-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
CCCN(Cc1cc(Cl)cc(F)c1O)[C@H]1CCN(C)C1	843423114	WPUKXMBQFBXYIK-ZDUSSCGKSA-N	300.805	3.101	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2cc(C(C)(C)C)no2)cc1	844353403	VYQATEZQHGQLIO-UHFFFAOYSA-N	317.389	3.056	10	20	DGCD	
CO[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	845125976	SNZOQXRBNXQXBL-KBRIMQKVSA-N	319.449	3.070	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H]2COC3(CCCCC3)O2)c1O	846157118	AIQFOCRJWJLODR-KGLIPLIRSA-N	321.417	3.127	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2nccc(C(F)(F)F)n2)c(O)c1	840870194	VJWFZZURGQUMLU-SNVBAGLBSA-N	311.307	3.360	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCc3ccc(F)cc32)c1	858201135	SYFAJIBZEFXISM-INIZCTEOSA-N	314.360	3.326	10	20	DGCD	
CCC[C@@H](C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856210833	SBGGPUFTLUFGGW-OAHLLOKOSA-N	318.461	3.090	10	20	DGCD	
CO[C@@H](C)c1nc(CNCc2cc(Cl)ccc2O)cs1	752266469	QTOBWPQFSXGUOZ-VIFPVBQESA-N	312.822	3.499	10	20	DGCD	
C[C@H]1C[C@@H](NCCOc2cccnc2)c2c(O)ccc(F)c21	756570959	GWJSSXYAOHXGCL-SMDDNHRTSA-N	302.349	3.143	10	20	DGCD	
CC1(C)CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	850568331	VOPQYNXKPHDNMP-MRXNPFEDSA-N	302.462	3.316	10	20	DGCD	
C[C@H](NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1	764769800	LLBYIPYMNUJLPR-KPZWWZAWSA-N	320.383	3.415	10	20	DGCD	
COc1cccc(CN(C)Cc2ccn(-c3ccccc3)n2)c1O	768917843	AGAVIVZZIGKTPM-UHFFFAOYSA-N	323.396	3.219	10	20	DGCD	
COc1cc(O)c(CN(C)CCc2ccccc2F)cc1OC	768453605	ZLRKVGOTEMKHRP-UHFFFAOYSA-N	319.376	3.223	10	20	DGCD	
COC(=O)c1cc(CN(C)Cc2c(C)cccc2O)oc1C	876555365	VOLQBIZDEAFISD-UHFFFAOYSA-N	303.358	3.021	10	20	DGCD	
c1cc(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)ncn1	1118012117	NTGSVVNPAPJSNS-UHFFFAOYSA-N	322.456	3.456	10	20	DGCD	
CC[C@H](O)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C	763841059	OIZCQTSOTMSREU-INIZCTEOSA-N	314.429	3.293	10	20	DGCD	
COc1ccc(CNCCC(C)(C)F)cc1Cn1cccn1	873136935	LTMOOHVYOBEKGJ-UHFFFAOYSA-N	305.397	3.168	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cccnc2)cc1Cn1cccn1	873009247	ZXSJQOLSXSDHFV-OAHLLOKOSA-N	322.412	3.186	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccn1	773152509	XSJARLLJVUICCP-KGLIPLIRSA-N	312.417	3.269	10	20	DGCD	
CC(C)(C)[C@@H](NC(=O)NCc1ccccc1O)C(F)(F)F	775982019	XKCAFBSLLVMCKW-LLVKDONJSA-N	304.312	3.168	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(F)(F)C2)cc1	776613386	OVGJWWCJXWCMPE-UHFFFAOYSA-N	311.376	3.083	10	20	DGCD	
Oc1ccc2c(c1)CCN(Cc1cccc(Cl)c1O)CC2	775666380	XENPABRJKHGLTB-UHFFFAOYSA-N	303.789	3.352	10	20	DGCD	
O=C(NCc1ccc2ccccc2c1)c1c(F)ccc(O)c1O	789954329	HTNKOGOBZKGEHG-UHFFFAOYSA-N	311.312	3.320	10	20	DGCD	
COc1cc(F)ccc1NCc1ccc(OC)c(OC)c1O	892253957	IMIAWUWVKJIRTD-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
COC[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1	792824628	OEPAQNBSMWMCJF-LBPRGKRZSA-N	316.367	3.240	10	20	DGCD	
C[C@@H](NCC(C)(C)CN1CCCC1)c1cc([N+](=O)[O-])ccc1O	790748147	JYSZRUBCQCMNDN-CYBMUJFWSA-N	321.421	3.073	10	20	DGCD	
C[C@H]1CO[C@H](C)CN1Cc1ccc(N(C)C)cc1C(F)(F)F	792793577	GHQYUBZJEWBFQL-NWDGAFQWSA-N	316.367	3.381	10	20	DGCD	
CCOC(=O)c1cnc(S[C@H](C)C(=O)OC(C)(C)C)s1	1327660394	IVIPGTTVYYNCSM-MRVPVSSYSA-N	317.432	3.142	10	20	DGCD	
CC1CCN(c2ccc(CNCc3ccc(N)cc3)cn2)CC1	1336284519	ATXDTBBBAKFOEQ-UHFFFAOYSA-N	310.445	3.190	10	20	DGCD	
NCC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	70169475	JJCVAQVYUPNASK-JTQLQIEISA-N	303.233	3.260	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cccc3c2OCO3)cc1F	1331277860	TULANDUZJAFYDK-UHFFFAOYSA-N	306.312	3.372	10	20	DGCD	
COc1ccc(CN2CCc3cccc(F)c3C2)c(O)c1OC	1336687714	ZPYQVSVMMMAHLB-UHFFFAOYSA-N	317.360	3.107	10	20	DGCD	
COc1ccc(N(Cc2ccc(C(=O)O)cn2)CC(C)C)cc1	1607268275	NFFIYGPFXXEWCX-UHFFFAOYSA-N	314.385	3.451	10	20	DGCD	
C[C@H](CN(Cc1ccccc1)Cc1cc(F)ccc1O)C(=O)O	1609742430	RBCPKPSEWVLPBP-CYBMUJFWSA-N	317.360	3.254	10	20	DGCD	
CCN(Cc1ccc(N2CCCCC2)c(C)c1)[C@H](C)C(=O)O	1589736611	GOYKEIFJCBLPDN-OAHLLOKOSA-N	304.434	3.280	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1csc(-c2cccs2)n1	209742696	SZBSNVHKJWZSTE-YWEYNIOJSA-N	310.450	3.360	10	20	DGCD	
CN(CCOC(C)(C)C)Cc1cc(Br)ccc1O	690113992	HKBFYUXXQYVXHY-UHFFFAOYSA-N	316.239	3.402	10	20	DGCD	
CCOCC(C)(C)NCc1cc(Br)cc(F)c1O	715804091	MFBBSJIWNYJGON-UHFFFAOYSA-N	320.202	3.199	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(OC)c1	52851230	QWTNDDXYZOJWJJ-UHFFFAOYSA-N	312.413	3.424	10	20	DGCD	
O=C1CCCN1C1CCN(Cc2c(O)ccc3ccccc23)CC1	104656535	PPUJNXLTBHTQLT-UHFFFAOYSA-N	324.424	3.132	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)[C@H](C)CN1C	177974461	JPAVXLSUMFIYAD-GJYPPUQNSA-N	301.478	3.105	10	20	DGCD	
Cc1cnc(NC(=O)NCc2c(O)ccc3c2CCCC3)s1	174517361	DVJGVQFTUNKHQJ-UHFFFAOYSA-N	317.414	3.358	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCCOC[C@H]1CCCO1	123851898	KZAUMQRTZSPATH-OAHLLOKOSA-N	318.442	3.375	10	20	DGCD	
C[C@H](c1nnnn1C1CCCCC1)N(C)Cc1ccccc1O	189663385	WPDVHYCOZLZVMB-CYBMUJFWSA-N	315.421	3.077	10	20	DGCD	
O=S(=O)(Nc1nc(-c2cccs2)cs1)c1cccnc1	79901000	HMRKZZIIIDPQPH-UHFFFAOYSA-N	323.424	3.067	10	20	DGCD	
OCC[C@H]1CCC[C@H]1NCc1ccc(N2CCCCC2)cc1	189989376	AZHJXBQJOWWIFO-IEBWSBKVSA-N	302.462	3.318	10	20	DGCD	
COCCN(Cc1cc(Cl)cc(C(C)=O)c1O)CC(C)C	42370417	MHZPEAJUCHJWCJ-UHFFFAOYSA-N	313.825	3.353	10	20	DGCD	
CN(C)c1ccc(CN(C[C@H](O)c2ccccc2)C2CC2)cc1	134065668	RFKRUBOQFCMALL-FQEVSTJZSA-N	310.441	3.451	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)[C@@H]2CCOC2)c(C)n1-c1ccccc1	266150073	IVTBUDVQCAJTHV-GDBMZVCRSA-N	312.413	3.249	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@]2(N(C)C)CCSC2)c(O)c1C	273467885	FCGUOKZOLNZVSO-YOEHRIQHSA-N	308.491	3.097	10	20	DGCD	
COC[C@H](CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)OC	272629790	AONVOYZAEZIICG-HOCLYGCPSA-N	324.440	3.128	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CCO[C@@H](C(C)C)C2)c(O)c1	271455820	FKGWJOCHQOTHMD-MAUKXSAKSA-N	307.434	3.474	10	20	DGCD	
CC[C@H](NC1CCC(C(=O)NC)CC1)c1cccc(Cl)c1O	287895068	ZGCQWYSWUAYLIJ-QOZQQMKHSA-N	324.852	3.391	10	20	DGCD	
CCC[C@H](OC)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	297737849	OBYZZBSXCOCWFI-AWEZNQCLSA-N	324.384	3.150	10	20	DGCD	
CC[C@H](N[C@@H](C)COCCOC)c1cccc(Cl)c1O	806147962	PBCKNCDBMREDMW-FZMZJTMJSA-N	301.814	3.138	10	20	DGCD	
CCCOc1ccc(CN(C)CCCn2ccnc2C)c(O)c1	290507764	PKFNRPHMQNAFMQ-UHFFFAOYSA-N	317.433	3.208	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](CC)COCC(F)(F)F)c1	295200580	YQLLOLOFKUAIKY-GFCCVEGCSA-N	321.339	3.238	10	20	DGCD	
C[C@@H](NCCc1ccc(N)cc1)c1ccc(F)cc1N(C)C	817955756	HARWAKVEOKWYRJ-CYBMUJFWSA-N	301.409	3.367	10	20	DGCD	
CCCN(CC)C[C@H](C)N[C@H](C)c1cc(F)cc(F)c1O	810263506	OJCSKVUDFYVQDN-NWDGAFQWSA-N	300.393	3.441	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@H]2CCc3nc(C)ncc3C2)c(O)c1	815557746	CQPSNYUEYSNGSM-CJNGLKHVSA-N	311.429	3.316	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccc(C)c(C)c1O	815633511	PVHRBJUOLKXDHT-DZGCQCFKSA-N	306.450	3.212	10	20	DGCD	
CCOCc1cc(CNC[C@@]2(O)CCCC2(C)C)ccc1OC	815146182	CDVVTCODQQZEQU-IBGZPJMESA-N	321.461	3.263	10	20	DGCD	
CCOc1cccc(CN2CCc3cccc(OC)c3C2)c1O	824982159	AZINZYNYMNZJJA-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
COc1cc(CN[C@H](CO)C(C)(C)C)c(O)c(C(C)(C)C)c1	825502280	VTJPMOBUXZRWFV-OAHLLOKOSA-N	309.450	3.195	10	20	DGCD	
COc1ccc(O)c(CNC2(Cc3ccc(F)cc3)CC2)c1	825017675	WYQRDHLONMARPV-UHFFFAOYSA-N	301.361	3.405	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@]3(C)CCC[C@@H]3C)CC2)cc1	822197192	PHCZNXAWGYTSLM-HNAYVOBHSA-N	316.445	3.170	10	20	DGCD	
Cc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1CCC(C)C	827941697	WNPIGFPWBAMOGH-CYBMUJFWSA-N	315.417	3.434	10	20	DGCD	
CC(=O)Nc1cccc2c1CCCN2C(=O)c1cc(O)cs1	822957638	LABYDKCLZXDWDD-UHFFFAOYSA-N	316.382	3.005	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC(CCC(=O)O)CC1	901496635	WRYLCOZYFXSPPE-UHFFFAOYSA-N	304.434	3.138	10	20	DGCD	
Oc1cccc(Cl)c1CN[C@H]1CCO[C@H](c2ccncc2)C1	824954484	QQKMFNWHKSQJDR-GUYCJALGSA-N	318.804	3.451	10	20	DGCD	
OCCC[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	825338870	WKMUTYZXXSBYRM-QGZVFWFLSA-N	302.462	3.271	10	20	DGCD	
CCOC(=O)CCN(Cc1cc(C)c(C)cc1O)CC1CC1	743356490	BSYQNTRUVBHONQ-UHFFFAOYSA-N	305.418	3.174	10	20	DGCD	
CCOC(CCN[C@H](C)c1ccc(Cl)cc1O)OCC	841751257	GUXQDKLBSAWSLJ-LLVKDONJSA-N	301.814	3.485	10	20	DGCD	
CCCN(CCO)C(=O)c1cc(C)n(-c2ccccc2C)c1C	914535094	DRJQDULDNFAAFK-UHFFFAOYSA-N	314.429	3.247	10	20	DGCD	
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841850224	FVHVEJKGNWXVOO-BBRMVZONSA-N	303.450	3.325	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@@H](SC)C2)c1	743680300	CHDUJBCNSBSAHM-GMXVVIOVSA-N	324.446	3.045	10	20	DGCD	
CCN(C)c1ccc(CN2CCC(CCC(=O)O)CC2)cc1	846225663	PULXMBPMXACXIY-UHFFFAOYSA-N	304.434	3.220	10	20	DGCD	
CCc1cccc(CN2C[C@H](C)O[C@@H](C(F)(F)F)C2)c1O	848888111	MFWUULZCCXDRKK-GXFFZTMASA-N	303.324	3.106	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)nc1C	840783581	LJLRQZUZLBZWCF-GFCCVEGCSA-N	301.346	3.163	10	20	DGCD	
CCc1nn(C)c(Cl)c1CN1CCCc2cc(CN)ccc21	843058580	VMMOHOKNCQUEMO-UHFFFAOYSA-N	318.852	3.047	10	20	DGCD	
Nc1ccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1	746478731	WRQRCJBPFINDLJ-UHFFFAOYSA-N	323.396	3.034	10	20	DGCD	
CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cccc(O)c1O	917500226	YXFGBODMWBRLTF-HNNXBMFYSA-N	318.760	3.338	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@H](c2ccccc2)C2CC2)cc1	844353576	ZCMDFRSIGGQVFA-HXUWFJFHSA-N	324.424	3.399	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCCC(C)(C)N)c1O	925738074	MXQWZMNQWFZYOD-SNVBAGLBSA-N	315.255	3.241	10	20	DGCD	
OC1CCN(c2ccc(CNC3CCC4(CC3)CC4)cc2)CC1	850406405	FWRFSBXDTUFMLA-UHFFFAOYSA-N	314.473	3.460	10	20	DGCD	
COC(C)(C)CN[C@H](C)c1ccc(Br)cc1O	756648127	YVQHEJHAIVLCNS-SECBINFHSA-N	302.212	3.230	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCCO[C@@H]2CC(C)C)c1	858373118	YSVLIROVKIFPOJ-DOTOQJQBSA-N	320.433	3.094	10	20	DGCD	
COc1cc(Br)cc(CNCC2CC(C)C2)c1O	856811389	OJSZLWXPCIXTCU-UHFFFAOYSA-N	314.223	3.299	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2CCCC[C@@H]21	853749304	OTINLDNFEBFLQW-RDJZCZTQSA-N	301.434	3.145	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(Cl)ccc1O	756582129	GJWDGBXSBHTWNM-SCRDCRAPSA-N	324.852	3.343	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc2cnccc2[nH]1	930205983	QWKWFPLEXQJIKM-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
COc1ccccc1CCNC(=O)N[C@H](C)c1ccccc1O	867955842	HXCXLAOMRKVTFU-CYBMUJFWSA-N	314.385	3.004	10	20	DGCD	
Nc1ccc(Cc2noc([C@@H]3[C@@H]4Cc5ccccc5[C@H]43)n2)cc1	863655641	HBNXKCOJWYGYMS-KBAYOESNSA-N	303.365	3.296	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccoc1Cl	935945849	NDMLZWYNRUQESW-UHFFFAOYSA-N	300.738	3.054	10	20	DGCD	
O=C(CCc1ccccc1)Nc1c(Cl)ccc2nonc12	1116850318	KAGGEXAGIGSAIF-UHFFFAOYSA-N	301.733	3.448	10	20	DGCD	
CCN(CC)CCOCCN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21	1116588331	CTMRUIDLZNSIHS-CVEARBPZSA-N	320.477	3.197	10	20	DGCD	
OC1CCN(c2ccc(CNCCC3CC(F)(F)C3)cc2)CC1	877577938	OHDHHTACTWICCC-UHFFFAOYSA-N	324.415	3.173	10	20	DGCD	
Cc1ccc(CN2CCSC[C@H]2c2nccs2)c(O)c1	877404351	CIAZEIVQNWKWFX-ZDUSSCGKSA-N	306.456	3.447	10	20	DGCD	
Cc1cccc(CN(C)CCCNC(=O)OC(C)(C)C)c1O	775714611	QDGSVFCMCGOCMV-UHFFFAOYSA-N	308.422	3.047	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2cccn2C2CC2)cc1	1117784997	UWOCDBKTMPKHTJ-UHFFFAOYSA-N	314.385	3.011	10	20	DGCD	
C/C=C/C[C@@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C	771620712	NBSLHLYYWYKLTE-NNTXTVRGSA-N	318.442	3.213	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCCC[C@H]1C1OCCO1	1116444526	XECYEQDNHBPCDP-SFHVURJKSA-N	316.445	3.014	10	20	DGCD	
CN(C)c1ccc(-c2nc(-c3cn(C4CC4)nn3)cs2)cc1	887379718	DJMTWGRETFZOFC-UHFFFAOYSA-N	311.414	3.470	10	20	DGCD	
C[C@@H](NC(=O)c1cccc2[nH]ncc12)c1ccc(N(C)C)cc1	775411998	TXKCEQANOCATPV-GFCCVEGCSA-N	308.385	3.120	10	20	DGCD	
CSCC(C)(C)NCc1ccc(Br)cc1O	898304943	MZLUENYXTITACM-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
CN(C)c1ccc(/C=C/c2nccc(O)n2)c(C(F)(F)F)c1	794942474	NJHDSEPHCGTBLM-GQCTYLIASA-N	309.291	3.437	10	20	DGCD	
Cc1ccc([C@@H](O)[C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1	796480081	CAUCIFYFDBPWRW-KUHUBIRLSA-N	316.420	3.412	10	20	DGCD	
COCCCCCNCc1ccc(Br)cc1O	691429530	PUDMLIBLSWUNCB-UHFFFAOYSA-N	302.212	3.061	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cc(Br)cc(F)c2O)CS1	715768168	CACVMFSXYQUIKQ-XCBNKYQSSA-N	320.227	3.277	10	20	DGCD	
Nc1ccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1	1335287835	BXRIYVYYEMEQRS-CQSZACIVSA-N	324.350	3.321	10	20	DGCD	
COc1cc(Br)cc(CNCCCC(F)F)c1O	1335018795	UIWYOBFQNHVCHN-UHFFFAOYSA-N	324.165	3.298	10	20	DGCD	
C[C@](CNCc1cc(Cl)ccc1O)(C(=O)O)c1ccccc1	1592710870	YFFYIQUFZVZSTP-QGZVFWFLSA-N	319.788	3.178	10	20	DGCD	
CN(C)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	156067261	LOMXVAITJHESML-GFCCVEGCSA-N	303.233	3.225	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C)cc2)c1	103503346	AGVKNUQMCAQSKN-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc(F)cc2C)c1O	104979791	CRTJSUIDCDHNSM-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CSc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)o1	112241142	QPTZKDQBOXVZLD-UHFFFAOYSA-N	308.378	3.137	10	20	DGCD	
C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(N(C)C)cc1	126849329	VUVLENMCBXDJSA-AWEZNQCLSA-N	312.417	3.050	10	20	DGCD	
CC[C@@H](NCCCc1cn[nH]c1C)c1ccc(N(C)C)cc1	133064955	NWVJYJJRPYXGKT-GOSISDBHSA-N	300.450	3.458	10	20	DGCD	
COc1ccc(N2CCN(c3ncccc3Cl)CC2)cc1F	152275765	NAAWAFCJEBNFLF-UHFFFAOYSA-N	321.783	3.209	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1cccs1)c1ccc(N(C)C)cc1	156918924	WGALZBIZFYVCBS-GUYCJALGSA-N	304.459	3.372	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCC1(C2CC2)CC1	179113227	XGRPLMWRPRHSPD-UHFFFAOYSA-N	313.445	3.276	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)c(O)c1O	179526400	QYGMLVPFNVVEJI-UHFFFAOYSA-N	321.323	3.314	10	20	DGCD	
COC(=O)C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O	179892589	XAWOFLQSFXIKTF-LLVKDONJSA-N	318.200	3.227	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c1	185183888	UNQKZDKGQYJESV-CABCVRRESA-N	312.413	3.056	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCc2nc(C)cs2)c1	185311375	URPFUIPWXLJCQG-LBPRGKRZSA-N	306.431	3.449	10	20	DGCD	
Cc1cccc(CNC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1O	224811579	ADUKEBVGUDMVOU-OAHLLOKOSA-N	322.449	3.340	10	20	DGCD	
CCOc1ccc(NC(=S)NCc2ncccc2C)cc1	242841582	FWHYWJLOWLFOGK-UHFFFAOYSA-N	301.415	3.275	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)/C=C\c2cccnc2)cc1	255288721	XPCVAYGTALHQLH-XFXZXTDPSA-N	309.413	3.257	10	20	DGCD	
CCCN(Cc1cc(OC)ccc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	271881337	VCMIBZOWTZOLPB-JQHSSLGASA-N	319.445	3.426	10	20	DGCD	
COc1ccc(O)c(CNC[C@@H]2CCC3(CCCCC3)O2)c1	276838177	SFJYDHLHZWQIDJ-INIZCTEOSA-N	305.418	3.372	10	20	DGCD	
Cc1ccccc1[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	294799472	DXRNLTMNLUYHPL-LBPRGKRZSA-N	315.344	3.175	10	20	DGCD	
COc1ccc(N2CCC(NCC[C@@H]3CCCCO3)CC2)cc1	359903721	VJWILCOZRULWNK-IBGZPJMESA-N	318.461	3.213	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1Cc1ccc(F)cc1	369129127	BCCVDYORJDJRKI-CQSZACIVSA-N	315.344	3.084	10	20	DGCD	
CCOc1ccc(O)c(CN2CC[C@H](C3CCOCC3)C2)c1	370725248	QKNRSEOBZYGNBZ-HNNXBMFYSA-N	305.418	3.039	10	20	DGCD	
C[C@H](NCc1ccc(Br)cc1O)C1CCOCC1	691475578	BHEVXOUYSYQWIR-JTQLQIEISA-N	314.223	3.059	10	20	DGCD	
CN(C)c1ccc(CNCc2nn(C)c3ccccc23)cc1F	727468712	MZICDCREYXMGEU-UHFFFAOYSA-N	312.392	3.068	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@]2(C)CCOC2)cc1	733121140	KXXZCLMWXYMIMO-LJQANCHMSA-N	312.413	3.251	10	20	DGCD	
C[C@H](NCc1cc(Cl)ccc1O)[C@@H](O)c1cccc(F)c1	749116832	MAEMWPQHFVDUOT-MGPLVRAMSA-N	309.768	3.396	10	20	DGCD	
CSCCCOC(=O)c1csc(Cc2ccc(N)cc2)n1	751930319	CMULAKQWNZLQCI-UHFFFAOYSA-N	322.455	3.226	10	20	DGCD	
C[C@H](NC[C@@H](O)c1cccc(F)c1)c1cc(F)cc(F)c1O	756477249	XDSFEVWLQLDOCG-BJOHPYRUSA-N	311.303	3.194	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@]2(N(C)C)CCSC2)c2c(O)ccc(F)c21	756638599	UWZGVILSYBXIRJ-CJBNDPTMSA-N	324.465	3.107	10	20	DGCD	
C[C@@H](N[C@H]1CCOC1)c1cc(Br)cc(Cl)c1O	756770560	WBYOGRWHQFVEQA-APPZFPTMSA-N	320.614	3.248	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2n[nH]c3ccccc23)cc1	761223823	RPRDWEWLPVYGMR-UHFFFAOYSA-N	324.428	3.140	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@@H](O)C(C)C)c2C)c1	762983576	FMZJVHADYKNONC-GOSISDBHSA-N	314.429	3.149	10	20	DGCD	
CCOc1ccc(CNC[C@]2(C)CCO[C@H]2C2CC2)c(O)c1	767196973	ZWMRVLZPNBYNCS-ROUUACIJSA-N	305.418	3.086	10	20	DGCD	
C[C@H]1SCCN(Cc2cc(Br)ccc2O)[C@@H]1C	769447012	RLYCYXKKQUFTJO-NXEZZACHSA-N	316.264	3.481	10	20	DGCD	
CC(C)c1ocnc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	772996334	DBJIVTCTALVRQL-GFCCVEGCSA-N	301.390	3.355	10	20	DGCD	
Cc1nc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1	773020454	USZZRTCMZLFYJR-LBPRGKRZSA-N	317.458	3.328	10	20	DGCD	
COc1ncc(/C=C\C(=O)N2CC[C@H](C)c3ccccc32)cn1	775799710	MBBGXKOLGYKTLY-WSROAFLRSA-N	309.369	3.039	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCN2CCCCC2)cc1	781625527	BHSJBPMFFAXRKB-UHFFFAOYSA-N	303.494	3.451	10	20	DGCD	
O=C(NCCCc1cccc(Cl)c1)c1cccc(O)c1O	791504722	ISTOVQUAFSMDSR-UHFFFAOYSA-N	305.761	3.114	10	20	DGCD	
COc1cc(CN2CCCC[C@@H]2c2cc[nH]n2)c(O)cc1C	795664484	ANLCQGQFRKHXAD-OAHLLOKOSA-N	301.390	3.160	10	20	DGCD	
CNc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cn1	795766910	DTZRZSFCRDWFDO-UHFFFAOYSA-N	324.428	3.044	10	20	DGCD	
OCCc1ccc(NCc2ccc(N3CCCCC3)cc2)cn1	806669751	GJXLBRCYFYDOFL-UHFFFAOYSA-N	311.429	3.219	10	20	DGCD	
COCCC[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O	807836554	FJDIECRPRSFYTC-VIFPVBQESA-N	320.216	3.378	10	20	DGCD	
COc1ccc(O)c(CNCC[C@]2(C)CC2(Cl)Cl)c1	824971498	SAATZYXTMSCVBG-CYBMUJFWSA-N	304.217	3.464	10	20	DGCD	
CCOc1ccc(O)c(CN2CCc3cccc(OC)c3C2)c1	824983165	SAJOBEGGRNHTJE-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1N	830597413	HVLWYZCSNGDZDM-UHFFFAOYSA-N	310.397	3.092	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CCO[C@@H](c3ccncc3)C1)CC2	834895075	XDLXYAVFJGGSSX-JFIYKMOQSA-N	310.397	3.284	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1csnc1C	839920341	PMFSTPLHDCIFHH-GFCCVEGCSA-N	317.458	3.187	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](CO)Cc1ccccc1C	840940224	WFWAKVHDQYTIFG-IBGZPJMESA-N	312.457	3.063	10	20	DGCD	
NC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C1CCCC1	841087441	NNDRJYQDQWQMBR-CYBMUJFWSA-N	303.233	3.306	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CC(C)C)OC	841385087	PEIRBVBIBFYYNG-QGZVFWFLSA-N	306.450	3.162	10	20	DGCD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841850225	FVHVEJKGNWXVOO-CJNGLKHVSA-N	303.450	3.325	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H]([C@@H]3CCCNC3)C2)cc1C	843128285	VQNBZNBQIBCDCR-SJORKVTESA-N	302.462	3.221	10	20	DGCD	
CCC(C)(C)NC(=S)N(C)CCN(C)c1ccc(OC)cc1	844581240	ULTVWGZTKIVJSC-UHFFFAOYSA-N	323.506	3.126	10	20	DGCD	
C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)CC(F)(F)F	845261406	IIMZAYDKYJWMLN-MRVPVSSYSA-N	324.730	3.433	10	20	DGCD	
COc1cccc([C@H](C)NCCCN2CCCC[C@@H]2C)c1O	846138984	ZGYYTEDKRLFDEV-GJZGRUSLSA-N	306.450	3.316	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)CN2CCC[C@@H](C)C2)c1O	846143521	JGHAEFMHUYDTMS-KFWWJZLASA-N	306.450	3.172	10	20	DGCD	
CSc1nc(C(F)F)cc(N(C)Cc2ccccc2O)n1	848674589	GTHXQNSYXSDEHW-UHFFFAOYSA-N	311.357	3.478	10	20	DGCD	
CCc1cccc(CNc2ccc(N3CCCC3=O)cn2)c1O	848898822	HNMKYHDWFQQSAE-UHFFFAOYSA-N	311.385	3.089	10	20	DGCD	
CC[C@H](NCc1c(C2CC2)cnn1C)c1ccc(F)cc1O	850534084	GFGYWXQRNITAKY-HNNXBMFYSA-N	303.381	3.383	10	20	DGCD	
CCOC(=O)[C@@H]1CC[C@H](NCc2cc(C)ccc2O)C[C@@H]1C	862476441	UJKRBFJVARDGRB-CWRNSKLLSA-N	305.418	3.158	10	20	DGCD	
CN(C)c1ccc(F)cc1CNCc1ccc2c(c1)CCO2	865441881	ZNRCAVUYUOJCKO-UHFFFAOYSA-N	300.377	3.116	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)cc1C	873100429	UCBCFJZJUMRGRC-MJGOQNOKSA-N	319.445	3.212	10	20	DGCD	
COc1cc(NCc2ccc(C)cc2O)cc(OC)c1OC	876819314	FVYUSGDABAQINH-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
COC1(C(F)(F)F)CCN(Cc2ccc(C)cc2O)CC1	877593073	OMEJZHHWSVQTGZ-UHFFFAOYSA-N	303.324	3.244	10	20	DGCD	
CC1(C)N[C@@H](c2cccc(Cl)c2O)N(CC2CCCC2)C1=O	877857573	VBDKRLQVDVPXSU-OAHLLOKOSA-N	322.836	3.445	10	20	DGCD	
COc1ccc(CN2CCc3sccc3C2)c(O)c1OC	891553732	YDPLZIFECQQJSE-UHFFFAOYSA-N	305.399	3.029	10	20	DGCD	
Cc1noc(C[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	897579179	QHDYMVPVZBFDEV-GFCCVEGCSA-N	321.808	3.192	10	20	DGCD	
Cc1ccccc1[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	900046991	YZMZEBOFNQCFST-GOSISDBHSA-N	311.381	3.236	10	20	DGCD	
Cc1ccc(O)c(CNc2cccn(CC(F)(F)F)c2=O)c1	902238413	NNFIDOHVZSUBKY-UHFFFAOYSA-N	312.291	3.037	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1cccc(F)c1)c1c(O)cccc1F	903310561	ZJHORLBYZAUXGK-APPDUMDISA-N	307.340	3.229	10	20	DGCD	
CC[C@H](NC[C@H]1CCN1C)c1ccc(C(F)(F)F)cc1O	903317399	KFYCSRYBNRXHRZ-YPMHNXCESA-N	302.340	3.156	10	20	DGCD	
C[C@@H](Cc1ccsc1)NC(=O)NCc1ccc(N(C)C)cc1	918542457	YDMCTOKRRNEBAO-ZDUSSCGKSA-N	317.458	3.245	10	20	DGCD	
Cc1cc(CN2CCCC[C@@]23CCCNC3)ccc1N(C)C	1235167490	JVNHCSGBNOLVBP-IBGZPJMESA-N	301.478	3.169	10	20	DGCD	
CC[C@@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	1339064843	BDDZKTDIPSVFDC-CYBMUJFWSA-N	320.330	3.392	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCC(C)=C(C)C1	1339368294	WLKOPOJCKDUWQN-UHFFFAOYSA-N	304.419	3.279	10	20	DGCD	
CN[C@@H](C)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	1345809650	KYJOKJGLWNJJNJ-AWEZNQCLSA-N	313.445	3.130	10	20	DGCD	
Nc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1	1352789473	WWTYEDRNGBDEDR-UHFFFAOYSA-N	313.420	3.116	10	20	DGCD	
CC(C)(C)c1cnc(SC[C@H]2C[C@@]3(CCNC3)CO2)s1	1575277294	NEWLTNKUKYJGFB-IAQYHMDHSA-N	312.504	3.301	10	20	DGCD	
COc1ccc(C(C)=O)c(OCc2cc(C(=O)O)oc2C)c1	1607220384	OFZNJYVFFIWMLK-UHFFFAOYSA-N	304.298	3.076	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(C(=O)O)o1	1609971325	SBDKIDWBYAIENZ-UHFFFAOYSA-N	317.341	3.126	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)OCC(F)(F)F)cc1F	171832880	KTMKQXJKSJPHLU-UHFFFAOYSA-N	322.302	3.460	10	20	DGCD	
Cc1occc1CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1	60587922	GRNWXBNUCMCUIM-UHFFFAOYSA-N	319.380	3.135	10	20	DGCD	
COCCCCN[C@H](C)c1ccc(Br)cc1O	185037513	IGMLJOYUINDWBS-SNVBAGLBSA-N	302.212	3.232	10	20	DGCD	
CC[C@](C)(O)CN[C@H](C)c1cc(Br)cc(C)c1O	187180882	NNDWCVVRAGHYHP-YGRLFVJLSA-N	316.239	3.275	10	20	DGCD	
Cc1c(CN[C@H](C)c2ccc(Br)cc2O)cnn1C	186188395	JZOZCNSTENYHNG-SECBINFHSA-N	324.222	3.047	10	20	DGCD	
C[C@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc(N(C)C)cc1	182134362	IJPODYSRBKVMHX-YJBOKZPZSA-N	318.461	3.479	10	20	DGCD	
CCOC[C@H](NCc1cc(Br)ccc1O)C(C)C	188864067	ARZDEYPXFCCRDA-ZDUSSCGKSA-N	316.239	3.305	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCOC3(CCCCC3)C2)c1	136749579	LZMCKSHEOSZUSL-AWEZNQCLSA-N	320.389	3.272	10	20	DGCD	
CCC(CC)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	363216532	WMRPGRHXJATEOG-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)C2SCCS2)C2CC2)cc1	270457026	DSISZJLNJXBWDZ-UHFFFAOYSA-N	322.499	3.050	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCC(=O)C(C)(C)C	294572841	XNLSLPUFZOGFPK-UHFFFAOYSA-N	318.461	3.497	10	20	DGCD	
CCN(CC)c1ccc(CNc2cnccc2-n2ccnn2)cc1	808426094	OENXPTGQRAIVCH-UHFFFAOYSA-N	322.416	3.121	10	20	DGCD	
CC[C@@H](NC[C@@H](O)COCC(C)C)c1cccc(Cl)c1O	806133458	NOLQMTUPXGJXKK-IUODEOHRSA-N	315.841	3.120	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O	293933981	HQSWKCFHILWABN-IRXDYDNUSA-N	323.820	3.198	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1ccnc(N3CCCC3)c1)CC2	295809530	CRCUZYHBXWSSBL-MRXNPFEDSA-N	309.413	3.165	10	20	DGCD	
Cc1cnn(C)c1CNCc1cc(C)n(-c2ccccc2)c1C	394081007	PYAHEZBHVFAOHD-UHFFFAOYSA-N	308.429	3.426	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H](n2cccn2)C1	291203731	HVHIOEBIUVTPQX-GFCCVEGCSA-N	312.200	3.343	10	20	DGCD	
CCOc1cccc(CN2CCOc3ccc(C)cc3C2)c1O	809703049	CNIPPWRRGIINOY-UHFFFAOYSA-N	313.397	3.494	10	20	DGCD	
COC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCC1	807838987	FCAJBOOYRIXZFT-UHFFFAOYSA-N	318.200	3.274	10	20	DGCD	
C[C@@H](NCC1(CC(N)=O)CC1)c1cc(Cl)c(Cl)cc1O	817586193	LUJRZEGSPKTDIX-MRVPVSSYSA-N	317.216	3.005	10	20	DGCD	
C[C@@H](CN)CN[C@@H](C)c1cc(Br)cc(Cl)c1O	817962469	MSWBHAPUFQCJHW-YUMQZZPRSA-N	321.646	3.054	10	20	DGCD	
CO[C@@H](C)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	726547694	PBOTZWVFSRYFMA-ZDUSSCGKSA-N	318.392	3.388	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](c3ncc[nH]3)C2)cc1Cl	824596179	CDOPXJUNSOYEHH-LBPRGKRZSA-N	305.809	3.457	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21	828353808	XNONWWDPDPOJKR-BPQIPLTHSA-N	315.461	3.473	10	20	DGCD	
COc1cccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c1O	822529348	DADFVFREKVMVPL-SFHVURJKSA-N	317.429	3.182	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1C[C@@H]1C1CC1	839922691	YICSTAPOCHTQRB-XWIAVFTESA-N	300.446	3.154	10	20	DGCD	
O=C(NCc1ccccc1Br)c1cc(O)cs1	732267475	GOVMLKXHVXERDC-UHFFFAOYSA-N	312.188	3.146	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCN(C2CC2)c2ccccc21	832570092	MXUZUOQBUQKVRN-UHFFFAOYSA-N	300.383	3.083	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1	831165802	NCFKTAATLTVXCS-IPMKNSEASA-N	302.462	3.268	10	20	DGCD	
CCOc1cccc(CN[C@@H](C(C)C)C2(CO)CCCC2)c1O	835065721	KXFZWOGTDHLOLY-SFHVURJKSA-N	321.461	3.458	10	20	DGCD	
COc1cccc(CNC(=O)NCC[C@H]2CCCC[C@@H]2C)c1O	745821057	VBEWIUBIAHVKEV-UONOGXRCSA-N	320.433	3.416	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@H](C)c1cccc(OC)c1O	846161726	BVKJWSRKTPDJPT-KGLIPLIRSA-N	319.401	3.292	10	20	DGCD	
C[C@@H](Cc1ccco1)NC(=O)NCc1cc(Cl)ccc1O	844882906	UOAPHVWTTMTBJJ-JTQLQIEISA-N	308.765	3.069	10	20	DGCD	
CCCc1noc(CN(CC)c2ccc(OC)c(OC)c2)n1	744390679	ILCDXQGSTZMDOD-UHFFFAOYSA-N	305.378	3.066	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC([C@@H]2CCCN2)CC1	843043924	QHRDJNMZCOXSFL-IBGZPJMESA-N	301.478	3.025	10	20	DGCD	
CC[C@@](C)(O)CNC(=O)c1sccc1-n1c(C)ccc1C	743760545	OANGTVVCAAOKDX-MRXNPFEDSA-N	306.431	3.046	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cccc3c2OCCO3)cc1F	858104273	FDUJBDYJDFEQIZ-UHFFFAOYSA-N	320.339	3.414	10	20	DGCD	
C[C@H](NC(=O)NCCCc1ccco1)c1ccc(N(C)C)cc1	852261731	USBSVVJIMCQGCX-AWEZNQCLSA-N	315.417	3.339	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H](C)Cc2cccs2)c1	858249561	WNPIOHSPXIROEG-ZDUSSCGKSA-N	318.442	3.440	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN[C@@H]1CCc2c[nH]nc2C1	758507673	WSHUKBIDQOCDFD-GOSISDBHSA-N	319.408	3.429	10	20	DGCD	
CC[C@H](CCO)N[C@H](C)c1cc(Br)c(F)cc1O	756602262	DMEBNROQVBKATI-RKDXNWHRSA-N	320.202	3.105	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC2(CO)CCCC2)cc1	765419166	AUAHZNHJJQXYGP-UHFFFAOYSA-N	312.413	3.129	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1nnc([C@@H]2CCCO2)s1	865295879	OHXFZNJUULRYLD-AWEZNQCLSA-N	318.446	3.376	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1C1CCCCC1)[C@@H](O)CO2	768442514	KWXKAVIJKKJURL-AEFFLSMTSA-N	317.429	3.363	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@]2(N(C)C)CCSC2)cc1	766438403	LEFNUDOJFFBEFW-CRAIPNDOSA-N	321.534	3.231	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC(C(C)C)C(C)C)c1	770418114	OLYNJRYHSXEAAX-GFCCVEGCSA-N	308.422	3.442	10	20	DGCD	
CCC[C@H](C)CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773087197	GYEGWNPEGCMEGA-UONOGXRCSA-N	312.479	3.169	10	20	DGCD	
CCOCCONC(=O)c1cc(C)n(-c2ccccc2C)c1C	772700946	HPEGXTDNIAGFBG-UHFFFAOYSA-N	316.401	3.100	10	20	DGCD	
CCO[C@H](C)c1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1	775832775	BOZMGXXTDFMTIV-QWHCGFSZSA-N	318.421	3.084	10	20	DGCD	
Cc1cc(O)c([C@@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1C	877858317	JBWPASZUAGZRQD-HNNXBMFYSA-N	304.296	3.141	10	20	DGCD	
C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1	776269076	IPRIKIXJBJGRLU-AWEZNQCLSA-N	311.429	3.310	10	20	DGCD	
CCOCc1cc(CN[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)ccc1OC	776498524	NJECHLZOUFWXLY-XWIAVFTESA-N	321.461	3.381	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(C)c2)C12CCC2	776165418	QQQGTHORBUNUHJ-QZTJIDSGSA-N	302.462	3.498	10	20	DGCD	
C[C@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1c(O)cccc1F	886511153	KMVXUTSMDLXVRP-JSGCOSHPSA-N	321.367	3.172	10	20	DGCD	
CCn1c(-c2ccccc2)nnc1N(C)Cc1ccccc1O	786792483	CLJWSDCWZYEXJW-UHFFFAOYSA-N	308.385	3.307	10	20	DGCD	
CC(C)[C@H](CNCc1cccc(Cl)c1O)c1ccnn1C	788266174	LASNZDZLHWCZDT-ZDUSSCGKSA-N	307.825	3.309	10	20	DGCD	
COc1cc(C)cc(CNc2ccccc2CCN(C)C)c1O	894532196	BAYRRBNELMJHRS-UHFFFAOYSA-N	314.429	3.425	10	20	DGCD	
Oc1c(Br)cccc1CN1CC(C(F)(F)F)C1	894891847	FVTBYMXCIPTZFQ-UHFFFAOYSA-N	310.113	3.149	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)cc1	899773094	LIVNOHQLKHADSV-SNRMKQJTSA-N	324.424	3.080	10	20	DGCD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cc(O)cs2)c1	798122200	OPHQSTBBOHOIQY-UONOGXRCSA-N	303.383	3.138	10	20	DGCD	
C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C2CC2)O1	794652133	IEPWUUZXDXWZRQ-PXAZEXFGSA-N	319.445	3.395	10	20	DGCD	
CC[C@H](C)n1ncc(NCc2cc(OC)c(OC)cc2O)c1C	792193114	QQYLBPYRAYKRIY-NSHDSACASA-N	319.405	3.497	10	20	DGCD	
COc1cccc(O)c1CN(C)CCCOCc1ccccc1	798964874	QLEDZLOOMLGKKY-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(C)cc2OC)c(O)c1	797617590	GLJRHOJRJCPQLX-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C[C@@H](C)C3CC3)CC2)cc1	1324627424	RSUSSZRETVRGOX-OAHLLOKOSA-N	316.445	3.170	10	20	DGCD	
COc1ccc2c(c1)CCN(Cc1cc(C)cc(OC)c1O)C2	1327679448	QHIWRGYCTYAUFJ-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
O=C(NCc1cccc(C(F)F)c1)NCc1ccccc1O	1320497586	YWYRWRNQPFPYRM-UHFFFAOYSA-N	306.312	3.329	10	20	DGCD	
C[C@@H](CCc1ccco1)N[C@H](C)c1cc(C(=O)O)ccc1O	1609740390	DYIQMBDSGXAFQH-NWDGAFQWSA-N	303.358	3.355	10	20	DGCD	
Cc1cccc(NC(=S)NNc2cccc(C(=O)O)c2)c1	1600542081	UYMXGROAWHLNFE-UHFFFAOYSA-N	301.371	3.007	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2C(=O)O)cc1OC	1607267817	JUTPCADPFSPZEO-UHFFFAOYSA-N	301.342	3.038	10	20	DGCD	
CN(C)c1ccc(OCc2csc(C3CC3)n2)cc1C(=O)O	1606060952	RRKNCXPDHIVNCL-UHFFFAOYSA-N	318.398	3.364	10	20	DGCD	
C/C(=C/c1cccnc1)C(=O)N1CCCc2cc(C(=O)O)ccc21	1588488807	SSDRVHNWTGKWNB-RAXLEYEMSA-N	322.364	3.163	10	20	DGCD	
CC[C@@H](NCc1ccccc1CC(=O)O)c1ccc(F)cc1O	1595305514	QRGVSXBNKWQIEQ-MRXNPFEDSA-N	317.360	3.399	10	20	DGCD	
Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]3C2)c(C)n1-c1ccccn1	153952631	HHKJNOQAUMNCOD-HOTGVXAUSA-N	309.413	3.361	10	20	DGCD	
COc1ccc(CNC[C@@H](C)NC(=O)OC(C)(C)C)cc1C	227679983	NKDOUCHIBMBQAB-CYBMUJFWSA-N	308.422	3.006	10	20	DGCD	
Oc1c(Br)cccc1CNC1Cc2ccccc2C1	231032237	TVZXALVBRUUDPF-UHFFFAOYSA-N	318.214	3.412	10	20	DGCD	
CC[C@H](NC[C@H](C)N(C)C)c1cc(Br)ccc1O	38088595	PITVOJDKQATGSC-GWCFXTLKSA-N	315.255	3.146	10	20	DGCD	
CC[C@H]1CCC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1	74416094	BDSHPYJJQOLSOS-GXTWGEPZSA-N	306.406	3.169	10	20	DGCD	
CCCOc1ccc(CN2CCC(CCN(C)C)CC2)c(O)c1	92381250	ZEDGRZNLPICPCJ-UHFFFAOYSA-N	320.477	3.345	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccnn2CC)cc1F	119153285	ZUQGIPQABRSIOQ-UHFFFAOYSA-N	304.413	3.178	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H](CO)Cc2ccccc2)cc1	130364783	VXWKNUJAXBEHHC-APWZRJJASA-N	312.457	3.397	10	20	DGCD	
C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N(C)C)cc1	134785990	IXLYGSTUUNFSQQ-RUGDWHBFSA-N	300.446	3.361	10	20	DGCD	
Nc1ccc(CCNC(=O)C2(c3ccccc3)CCCC2)cc1	152565178	PSROCKHZBBYHJC-UHFFFAOYSA-N	308.425	3.440	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@H](CC)c2ccccc2O)c1	155358121	VDSCRFRRBJUZGW-QGZVFWFLSA-N	312.413	3.383	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC1(Cl)Cl	156349924	AGRMBVDYBJOAKD-LBPRGKRZSA-N	314.212	3.081	10	20	DGCD	
CSC(C)(C)CNC(=O)NCc1c(O)ccc2c1CCCC2	174363558	VNMJDCDGNURCSO-UHFFFAOYSA-N	322.474	3.212	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(-n3cncn3)cc2)c(O)c1	185353902	LVYOHRIPLRLYPF-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@H](C)c2cc(C)ccc2O)c1	185418853	BQQCPPQKMLJQLE-ACJLOTCBSA-N	301.386	3.093	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)Cc2c(C)noc2C)c1	185501412	ZITCUFHQNZPQAT-QWRGUYRKSA-N	304.390	3.287	10	20	DGCD	
O=C(NCCCSc1nccs1)N1CCCC2(CC2)C1	185545306	WVLIVQSWEQSJCT-UHFFFAOYSA-N	311.476	3.211	10	20	DGCD	
C[C@H](N[C@@H]1CCc2[nH]ncc2C1)c1cc2c(cc1O)CCCC2	186115381	XLIHAZALWYOMBT-BLLLJJGKSA-N	311.429	3.202	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc(Cl)nc2C)c1O	194668353	VFLWQABNIYLIKC-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
CCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)c1cccc(OC)c1	237027721	STZSOSSAGPDKJN-AWEZNQCLSA-N	312.413	3.430	10	20	DGCD	
Cc1nc(CCN[C@H](C)c2ccc(Cl)c(Cl)c2O)n[nH]1	273480561	ULOPJBUBSSTKGQ-SSDOTTSWSA-N	315.204	3.019	10	20	DGCD	
C[C@@H](NCC1=CCN(C)CC1)c1cc2c(cc1O)CCCC2	273540853	YEEQBFZEOOFPII-CQSZACIVSA-N	300.446	3.184	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(N(C)C)cc2)[C@@]12CCCO2	274197495	KXONOWXSYRSDFS-FDPIWHGQSA-N	318.461	3.130	10	20	DGCD	
C[C@@H](O)C[C@@H](C)CNCc1ccc(N(C)C)cc1C(F)(F)F	280920547	PPOLWYVQAKEGDH-VXGBXAGGSA-N	318.383	3.268	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccncn1	282547832	CHELYDVELBCULR-UHFFFAOYSA-N	300.362	3.016	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2nncn2C2CC2)cc1	285850402	PEZUMSSPBZKGRC-UHFFFAOYSA-N	321.384	3.273	10	20	DGCD	
CC/C=C/CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	298070481	KJEBCITULCSJMI-GIZXNFQBSA-N	318.417	3.049	10	20	DGCD	
CCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)nc1	301273983	IJANFUORXKCEAA-UHFFFAOYSA-N	313.401	3.245	10	20	DGCD	
CN1CCCc2cc(CNc3ccc(C(F)(F)F)nn3)ccc21	301892129	ABLMOPSDLUULLJ-UHFFFAOYSA-N	322.334	3.490	10	20	DGCD	
CC[C@@](C)(CNCc1cc(Br)cc(F)c1O)OC	715720394	XUGOGYOGMFZDAH-ZDUSSCGKSA-N	320.202	3.199	10	20	DGCD	
CCCOc1ccc(OCCOC(=O)c2cc(O)cs2)cc1	732353442	PABKRTUAFKKZSX-UHFFFAOYSA-N	322.382	3.478	10	20	DGCD	
Cc1ccc(CN(CC(=O)O)Cc2cc(Cl)ccc2O)cc1	738594494	OLCPHCXZVLVSQQ-UHFFFAOYSA-N	319.788	3.441	10	20	DGCD	
COC[C@@H](NC(=O)c1sccc1-n1c(C)ccc1C)C1CC1	750167601	ZDHMNMBTPGXTBC-CQSZACIVSA-N	318.442	3.310	10	20	DGCD	
COC(=O)[C@@H](CC1CCCCC1)NCc1ccc2c(c1)CCO2	756147766	URHYSIACUYTXQB-QGZVFWFLSA-N	317.429	3.223	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCc2ccc(F)cc2)c1	756340543	IXCXGZAWAGHKFE-LBPRGKRZSA-N	317.360	3.211	10	20	DGCD	
C[C@H](NC[C@@H](C)N1CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1O	756413089	XPEOPVFXNUCGNP-MCIONIFRSA-N	321.421	3.071	10	20	DGCD	
Cc1nccn1CCCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756434014	SWALXXVXFWHSDJ-RISCZKNCSA-N	303.381	3.264	10	20	DGCD	
CN(C)c1ccc(CN(CC[C@@H]2CCCN2C)C2CC2)cc1	759846396	UCUMPRZESRGLQU-SFHVURJKSA-N	301.478	3.201	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cnn(C)c2C)cc1	766010586	XBQJLQLJWNLTSP-UHFFFAOYSA-N	300.450	3.207	10	20	DGCD	
COCc1ccc([C@@H]2CCCN2C(=O)c2cc(O)cs2)o1	768737463	PSLNBVIDJYWMEC-LBPRGKRZSA-N	307.371	3.170	10	20	DGCD	
COC(=O)c1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)C2	769372695	YFPGZHGZPFKKGD-UHFFFAOYSA-N	317.772	3.348	10	20	DGCD	
C[C@@H](NC(=O)NCC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1	773436839	SEJVIXBLCSAJKX-PBHICJAKSA-N	319.449	3.072	10	20	DGCD	
Oc1c(Br)cccc1CNC[C@H]1C[C@H]2C=C[C@H]1C2	775147513	UPZKFBHGSZZIES-GMXVVIOVSA-N	308.219	3.457	10	20	DGCD	
Cc1cc(Br)cc(CNCCOC2CCC2)c1O	776223129	QVJZCVFJSXBLSZ-UHFFFAOYSA-N	314.223	3.122	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cc2ccc(F)cc2s1	778918611	LICYMCJXKXXSOF-UHFFFAOYSA-N	317.341	3.382	10	20	DGCD	
CC(C)[C@@H](CC(F)(F)F)NCc1cc2c(cc1O)OCO2	782543088	AWCHXHDMUZJYCJ-SNVBAGLBSA-N	305.296	3.188	10	20	DGCD	
CC[C@H](NCC(=O)NCc1ccccc1)c1ccc(C)cc1O	794804001	LIEKDDAXPFMKFO-KRWDZBQOSA-N	312.413	3.058	10	20	DGCD	
C[C@H](Nc1cccc2c1CCO2)c1cc([N+](=O)[O-])ccc1O	794836908	QERCAYXDMFARNJ-JTQLQIEISA-N	300.314	3.408	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cc(C)n(C)n1	801639893	GKBYSPJXIIRXBU-UHFFFAOYSA-N	316.405	3.268	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCc2occc2C)cc1	813591846	WZEGMJLMMVSIHV-UHFFFAOYSA-N	315.417	3.434	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCC1OCCCO1	817298864	QOXKXTOZFAZEAK-MRXNPFEDSA-N	319.445	3.483	10	20	DGCD	
CCN[C@H](C)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	817972071	JOAFMCDLEPTMFD-CABCVRRESA-N	307.457	3.465	10	20	DGCD	
CC(C)[C@@H](C(=O)O)[C@H](C)NCc1c(O)ccc(Cl)c1F	819164975	YFKYWLWMOJMYBW-QPUJVOFHSA-N	303.761	3.020	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCCC2(F)F)cc1F	822863030	LBTNVOHEGSTHER-LBPRGKRZSA-N	314.351	3.333	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O	824721721	IFSFWLMHAOSDKQ-LERXQTSPSA-N	313.800	3.310	10	20	DGCD	
COc1cc(CN2CCC[C@](C)(O)C2)c(O)c(C(C)(C)C)c1	824849715	HDHLQPSQIUKSEC-SFHVURJKSA-N	307.434	3.045	10	20	DGCD	
CCO[C@@H](C)c1ncc(C(=O)N[C@H](C)c2ccccc2O)s1	827937154	MCGVLCZXNNOVOZ-MNOVXSKESA-N	320.414	3.437	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1CC(OC(F)F)C1	839145715	URDBQOQUWNUVHC-UHFFFAOYSA-N	305.324	3.483	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@@H](c2ccco2)C1	840919156	WIQUBWMRWKAVAN-GOSISDBHSA-N	300.402	3.228	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)CNC(=O)OC(C)(C)C	840942315	YYTYEDBSYMBMQJ-AWEZNQCLSA-N	321.465	3.064	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@H]1c1nccn1C	840951184	TXSPRDILKUGXGA-QGZVFWFLSA-N	312.461	3.378	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCNC1	841033489	OZKZBUTVMAWIDA-SJLPKXTDSA-N	301.478	3.155	10	20	DGCD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841855470	PBTJABCBSPOXRM-JKSUJKDBSA-N	321.490	3.175	10	20	DGCD	
CC[C@H](NC(=O)NCc1cc(OC)ccc1O)[C@H]1CC1(C)C	842180487	OZWDDMXACJLVGU-KGLIPLIRSA-N	306.406	3.025	10	20	DGCD	
CC(C)n1nccc1NC(=O)NCc1cc(Cl)ccc1O	844492219	MSKRSNXFPPKYNK-UHFFFAOYSA-N	308.769	3.145	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccco1	850565385	DEMUOMBNBNYLTE-CQSZACIVSA-N	300.402	3.092	10	20	DGCD	
Cc1ccc(CNC[C@H]2CCN(c3ccc(F)cc3)C2)c(O)c1	876970210	LGSLIDHCEVIJBQ-OAHLLOKOSA-N	314.404	3.456	10	20	DGCD	
CCc1ccc(CCn2cc(COc3ccc(N)cc3)nn2)cc1	881291833	ABUHESCLCMXUJF-UHFFFAOYSA-N	322.412	3.244	10	20	DGCD	
COc1cc(C)cc(CNCC2(CCO)CCCCC2)c1O	894317662	OMNLYDWQTIHLDC-UHFFFAOYSA-N	307.434	3.132	10	20	DGCD	
CCN1CCC[C@H](CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1	1116565796	XDISXFBNVGBZRE-UMVBOHGHSA-N	306.425	3.401	10	20	DGCD	
C[C@H]1CC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	1119326443	NTZAWWRLXUAAMT-SMDDNHRTSA-N	315.442	3.235	10	20	DGCD	
CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccc(OC)c(C)c1	1133508831	PQDLPONMYCZPIO-CABCVRRESA-N	306.450	3.177	10	20	DGCD	
O=C(O)CC1(CNCc2cc(Cl)cc(Cl)c2O)CC1	1261491074	KTHYTTDOHNIIOT-UHFFFAOYSA-N	304.173	3.044	10	20	DGCD	
CN1CCN(c2ccc(CN3[C@H]4CCC[C@H]3CC4)cc2F)CC1	1319706996	HLQHQVKIWZWARS-IRXDYDNUSA-N	317.452	3.094	10	20	DGCD	
Cc1cnn([C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)c1	1324621894	DKJPTOQLIKSPPJ-LJQANCHMSA-N	310.445	3.239	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CNc2ccccc21	1340044275	JWXHRTHOQFNQEK-SFHVURJKSA-N	321.424	3.112	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](c1nncn1C)C(C)C	1353932178	GXVYTGFVVAFUKS-IGCXYCKISA-N	314.433	3.364	10	20	DGCD	
COc1ccc(C(=O)C2CCN(Cc3ccc(N)cc3)CC2)cc1	1356083655	WZHDDAVIHGPWAQ-UHFFFAOYSA-N	324.424	3.372	10	20	DGCD	
C[C@H](N[C@H](C)c1ccsc1)c1cccc(-c2nn[nH]n2)c1O	1589952367	NNQAIDJNEPMGTL-ZJUUUORDSA-N	315.402	3.046	10	20	DGCD	
Cc1cc2c(cc1N[C@@H](C)c1cc(C(=O)O)ccc1O)OCO2	1607712112	ZQQGCNOBGNFGNI-JTQLQIEISA-N	315.325	3.301	10	20	DGCD	
C[C@]1(C(=O)O)CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1	1776501780	ONDYJCOLBYICKM-YGRLFVJLSA-N	318.200	3.432	10	20	DGCD	
Cc1cc(C(=O)N2CCCO[C@H](C)C2)c(C)n1-c1ccccc1	171012409	OZNBHCFJSWBNGY-OAHLLOKOSA-N	312.413	3.345	10	20	DGCD	
CCc1nnc(CN(c2ccc(OC)cc2)[C@H](C)C2CC2)n1C	111236684	DMTUCHYSZFHHQW-CYBMUJFWSA-N	314.433	3.191	10	20	DGCD	
CCCc1nc(C)c(C(=O)NCc2cc(OC)ccc2O)s1	172044038	HKJCXOKLQHKQPT-UHFFFAOYSA-N	320.414	3.048	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccsc1	173192047	BGZAJNQMZFJFLE-UHFFFAOYSA-N	316.426	3.172	10	20	DGCD	
OCCCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	78415336	XCOFPSQMBRJELJ-OAHLLOKOSA-N	318.442	3.204	10	20	DGCD	
C[C@H](N[C@H]1COc2ccccc2C1)c1ccc(F)c(F)c1O	187676340	NOYCHGZSLQLJHW-CMPLNLGQSA-N	305.324	3.325	10	20	DGCD	
COCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	78415341	UXPHNLCJZXWTTJ-AWEZNQCLSA-N	304.415	3.425	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O	320188097	OZGKWRAXXFYHRQ-SMDDNHRTSA-N	311.385	3.364	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)CCOCC2CC2)c1O	88558715	MMFWAEGGRCTBOQ-UHFFFAOYSA-N	311.809	3.107	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1O	191181665	APDJNVCQKIHKQV-VIFPVBQESA-N	307.296	3.250	10	20	DGCD	
COc1ccc(N(Cc2ccco2)Cc2nonc2C)cc1F	265739346	BSOHJYULTFESHP-UHFFFAOYSA-N	317.320	3.326	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1	360039883	ZNXGKPKSHDSFOD-DJIMGWMZSA-N	305.418	3.084	10	20	DGCD	
CCCOc1ccc(CNC[C@H]2C[C@H](C)O[C@H](C)C2)c(O)c1	282411436	ZCNWNIVPQFDKIZ-QDMKHBRRSA-N	307.434	3.474	10	20	DGCD	
CCOc1cccc(CN2CCCC[C@H]2c2cc[nH]n2)c1O	289356174	JUWBVCLCQYYRDD-HNNXBMFYSA-N	301.390	3.241	10	20	DGCD	
CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1O	287643180	KYHFFAYWNOVYQD-RISCZKNCSA-N	320.824	3.001	10	20	DGCD	
COCCOCCCCN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21	387568057	IZMNAKUUUFKBRN-LSDHHAIUSA-N	307.434	3.282	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C)Cc2cnccn2)c1O	808683403	FPUCSVFKHVHZOW-NEPJUHHUSA-N	305.809	3.426	10	20	DGCD	
CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1cccc(C)c1O	809722552	BQCWKCHJPGHARQ-INIZCTEOSA-N	320.433	3.143	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1	816666671	SVHXDJUDXTVCLE-HOTGVXAUSA-N	311.784	3.328	10	20	DGCD	
Cc1cnn([C@H]2CCN(Cc3cc(Cl)cc(F)c3O)C2)c1	811520352	NMPQOGPQWKFPME-ZDUSSCGKSA-N	309.772	3.137	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H]2CC(C)(C)OC2=O)cc1F	814180978	UNJQNDWUTSTLBV-INIZCTEOSA-N	322.424	3.198	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@H](O)c1ccsc1	816552175	CRMUKARMCDEPDN-ZDUSSCGKSA-N	301.770	3.069	10	20	DGCD	
CCOc1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)c(O)c1	816656611	YXWOHLHGDULREI-GOSISDBHSA-N	317.429	3.182	10	20	DGCD	
CC[C@@H](NCCN1CCC1)c1ccc(C(F)(F)F)cc1O	810227331	BZOIGTKUWMNTEG-CYBMUJFWSA-N	302.340	3.157	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@H]2C[C@H](OC)C23CCC3)c1	825104226	RINBYMGHYWOTRW-IRXDYDNUSA-N	305.418	3.180	10	20	DGCD	
CN(Cc1ccccc1Cl)C(=O)/C=C\c1ccc(O)c(O)c1	588403395	IUVLNVQAWBMYDX-CLFYSBASSA-N	317.772	3.423	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCN(c2ccccc2)C1)c1ccccc1O	827952641	ZOAUBNRYYDDIRT-HUUCEWRRSA-N	310.397	3.096	10	20	DGCD	
Cn1c(CNCc2c(O)cccc2Cl)nc2cc(F)ccc21	736358029	PLJJTKSUPPDSDJ-UHFFFAOYSA-N	319.767	3.361	10	20	DGCD	
COc1ccccc1OCCCN[C@@H]1CCc2cccc(O)c21	834566749	RNVXRWLXIZPMNO-OAHLLOKOSA-N	313.397	3.447	10	20	DGCD	
CCN(CCC(=O)O)Cc1c(O)ccc2oc3c(c12)CCCC3	737096066	JRGHCYIIFCDGPA-UHFFFAOYSA-N	317.385	3.314	10	20	DGCD	
COc1ccc(N(C)C[C@H]2CCN(C(=O)c3ccccc3)C2)cc1	844355743	SBYGWMPOQZRVGU-MRXNPFEDSA-N	324.424	3.294	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O)CCCC2	840119979	JVMIQAZNJDEKMW-QRVBRYPASA-N	315.457	3.396	10	20	DGCD	
N=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCCC1	849028305	HGJWDUJXJOAOGP-UHFFFAOYSA-N	302.205	3.256	10	20	DGCD	
CCN(Cc1occc1C)C(=O)NCc1ccc(N(C)C)cc1	840245484	VTGNRBYCFXZRBP-UHFFFAOYSA-N	315.417	3.386	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H]2CS[C@@H](C)C2)c1O	840959635	XPWRUPDZAACGPB-JOYOIKCWSA-N	316.264	3.447	10	20	DGCD	
CCCc1cc(NCc2cc(Cl)ccc2O)n2ncnc2n1	845709076	LWLCWNXEVCNMHU-UHFFFAOYSA-N	317.780	3.048	10	20	DGCD	
CCOc1ccc(CN2CC3(CCOCC3)C[C@@H]2C)c(O)c1	843432118	QXZKBPOMTCIPJW-AWEZNQCLSA-N	305.418	3.182	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@@H](C)OC3(CCC3)C2)c1O	843432596	NZMNRKWWYZRAHN-LLVKDONJSA-N	311.809	3.198	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCN2C[C@@H](C)C[C@H](C)C2)c1	756415902	MDOQGGONRNWQJM-KKUMJFAQSA-N	306.450	3.029	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CC(F)F)c1	859191743	CUKSUEWCQSHGAE-UHFFFAOYSA-N	320.339	3.244	10	20	DGCD	
CCC[C@@H](O)CCN[C@@H](C)c1cc(Br)ccc1O	927016136	HRZNSJQUULFBKP-CMPLNLGQSA-N	316.239	3.356	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)c(O)c1O	751538644	UENVYDDVCJPILT-INIZCTEOSA-N	311.381	3.157	10	20	DGCD	
CCN(CCCO)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	757201594	JFEQBGQHZJYYNB-UHFFFAOYSA-N	318.392	3.078	10	20	DGCD	
CCOc1ccc(CN2CCCC[C@H]2c2noc(C)n2)c(O)c1	768962782	JOKKXNNNUAVCPU-HNNXBMFYSA-N	317.389	3.210	10	20	DGCD	
C[C@H]1CC[C@H](C(=O)NCc2cccc(Br)c2O)C1	765770964	UGFRFIIDNWRBIY-UWVGGRQHSA-N	312.207	3.207	10	20	DGCD	
O=C(CCOc1ccc(F)cc1Cl)NCc1ccccc1O	769363539	SXMHGQOMCILFBL-UHFFFAOYSA-N	323.751	3.270	10	20	DGCD	
C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(F)cc(F)c1O	768237342	JOXGOCVYOZOOOZ-PLVUELBSSA-N	309.356	3.279	10	20	DGCD	
CCCC1(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1	760495057	SJQWGYIJJMBPSI-UHFFFAOYSA-N	316.445	3.361	10	20	DGCD	
Cc1ccc(CN2CCO[C@H](c3cccc(F)c3)C2)c(O)c1	876681876	AVHKOHIZTVDWGX-SFHVURJKSA-N	301.361	3.413	10	20	DGCD	
C[C@H](NC(=O)CC1CCSCC1)c1ccc(N(C)C)cc1	773024683	NDQJBKOFEZGDES-ZDUSSCGKSA-N	306.475	3.463	10	20	DGCD	
C[C@H](NC(=O)Nc1cccc(F)n1)c1ccc(N(C)C)cc1	775787957	BZJVJUCIDGLPMI-NSHDSACASA-N	302.353	3.169	10	20	DGCD	
C[C@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@@H](C)O1	773428295	LMAQTHDGZMZYLX-FQLMCAECSA-N	319.449	3.069	10	20	DGCD	
CN(C(=O)CC[C@H](N)CC1CCCCC1)c1ccc(N)cc1	877076231	OPZUOGBSHQAGPM-INIZCTEOSA-N	303.450	3.310	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CCC(F)(F)C3)CC2)cc1	777243514	UNRGOWUJVBHIAM-AWEZNQCLSA-N	310.388	3.441	10	20	DGCD	
C[C@@H](NC(=O)c1nc(Cl)ccc1F)c1ccc(N(C)C)cc1	773991449	XYPIZNVUJIWEKS-SNVBAGLBSA-N	321.783	3.431	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)NCc1cc(F)cc(F)c1O	883132060	DVQPXTDHOONHKY-JTQLQIEISA-N	313.266	3.118	10	20	DGCD	
Cc1ccc(CN(C)Cc2ccc(N3CCN(C)CC3)cc2)cc1	775642275	JDFIXCUGROWZFF-UHFFFAOYSA-N	323.484	3.379	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCc3ccccc32)c(O)c1OC	1120033976	XAWMTDOBUHJLEK-AWEZNQCLSA-N	313.397	3.229	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)cc1	785767096	JOKMJARBMNSTTI-ZWKOTPCHSA-N	302.462	3.391	10	20	DGCD	
CO[C@@H](C)CN[C@@H](C)c1cc(Br)cc(Cl)c1O	785571870	BWQUZEAMCFGEJS-YUMQZZPRSA-N	322.630	3.494	10	20	DGCD	
C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1cccc(C(F)(F)F)c1O	788763486	IZICROYZVQVTHX-UWJYBYFXSA-N	303.324	3.221	10	20	DGCD	
CCOc1ccc(O)c(CNC(C)(C)[C@H](O)c2ccccc2)c1	895659159	UHRMRHLOQLLXAV-GOSISDBHSA-N	315.413	3.393	10	20	DGCD	
COc1ccc(CNCCO[C@H]2CCCC[C@H]2C)c(O)c1OC	892580035	YVVYQTFNSWATRS-HIFRSBDPSA-N	323.433	3.094	10	20	DGCD	
CCn1nc(C(C)C)cc1C(=O)NCc1ccc(N(C)C)cc1	1318594722	DUUJWMBEIGXGDN-UHFFFAOYSA-N	314.433	3.022	10	20	DGCD	
CCOC(=O)c1cnc(S[C@@H](C)C(=O)OC(C)(C)C)s1	1327660401	IVIPGTTVYYNCSM-QMMMGPOBSA-N	317.432	3.142	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2cccc3c[nH]nc23)cc1	1346207266	WEJYACSXOHEODW-UHFFFAOYSA-N	324.428	3.140	10	20	DGCD	
CS[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1	1261962510	XCWBKRXPHIUHJO-FRRDWIJNSA-N	308.447	3.427	10	20	DGCD	
C[C@]1(C(=O)NCc2cccc(O)c2O)CCCc2ccccc21	1349077950	FVWOBZLRBVNTCX-IBGZPJMESA-N	311.381	3.008	10	20	DGCD	
CCc1c(C(=O)NCc2ccc(N)cc2)cnn1C(CC)CC	1346210493	SXEOCBFGRCGZEH-UHFFFAOYSA-N	314.433	3.319	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)[C@@H](O)c1ccccc1	1347225943	ZUHCRERFFYLLHG-OXJNMPFZSA-N	310.441	3.499	10	20	DGCD	
Cc1nc(C(C)(C)C)sc1C(=O)NCc1cccc(O)c1O	1350300666	WLAHMWMVONKCBM-UHFFFAOYSA-N	320.414	3.090	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@@H](c2ccccc2)C1	1471642293	RJWKVZKXFUSTRN-HUUCEWRRSA-N	311.381	3.298	10	20	DGCD	
N[C@H]1CC=C(C(=O)N2CCCSc3ccc(Cl)cc32)C1	1580171863	ZRLXTNUMYMRMRW-LBPRGKRZSA-N	308.834	3.216	10	20	DGCD	
CC(C)c1ccc(O)c(CNC(C)(C)c2cc(C(=O)O)on2)c1	1591973592	BVGKJHWOXFHNGU-UHFFFAOYSA-N	318.373	3.227	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@]2(C(=O)O)CC[C@H](C)C2)cc1F	1776861156	HWYFJJFOCUYMEJ-UGSOOPFHSA-N	322.424	3.405	10	20	DGCD	
CC[C@H](NCCCOC[C@H]1CCCO1)c1ccc(N(C)C)cc1	163500152	NQXQEAPVISPTDF-MOPGFXCFSA-N	320.477	3.379	10	20	DGCD	
C[C@H](NCCCN(C)C)c1ccc(N2CCCCC2)c(F)c1	151911404	LAHKDTXWTDTJPZ-HNNXBMFYSA-N	307.457	3.418	10	20	DGCD	
C[C@H](NCCc1cn2c(n1)CCCC2)c1ccc(N(C)C)cc1	152756633	DIGVFHRHOHOXMK-HNNXBMFYSA-N	312.461	3.179	10	20	DGCD	
OC[C@H]1CC[C@H](NCc2ccc(N3CCCCC3)cc2)CC1	153183138	PDJMJYJOYGJAHZ-HDICACEKSA-N	302.462	3.318	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1	159005750	BRKQTIBWPQBOFZ-WDEREUQCSA-N	317.307	3.083	10	20	DGCD	
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Cc1ccc(N)cc1	159800027	WMLROQMBRVZIOU-BBRMVZONSA-N	312.388	3.355	10	20	DGCD	
CCOC[C@@H](NCc1cc(Cl)cc(OC)c1O)C(C)C	188002863	TXIYPQLQGNYLJS-CYBMUJFWSA-N	301.814	3.205	10	20	DGCD	
CO[C@@H]1CCCC[C@H]1NCc1cccc(Br)c1O	846055490	GNELQGSZQSIQSZ-CHWSQXEVSA-N	314.223	3.202	10	20	DGCD	
Cc1ccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1	877018373	VJTBQSOPIBESOX-UHFFFAOYSA-N	320.433	3.190	10	20	DGCD	
O=C(NCc1ccccc1O)c1sccc1Br	133754622	FZKWSVZHFQBUCQ-UHFFFAOYSA-N	312.188	3.146	10	20	DGCD	
COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(O)c1O	179381940	JGIMYAKYQGVEAU-UHFFFAOYSA-N	307.733	3.321	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@H](O)c1c(F)cccc1F	305797772	WEKIVZGLBVPPKJ-ZDUSSCGKSA-N	313.731	3.147	10	20	DGCD	
C[C@@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N2CCCCCC2)cc1	184305485	XEGFMPQYYNKISI-PONJGIIJSA-N	322.518	3.485	10	20	DGCD	
CCOc1cc(F)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1	180942894	OWJGUHKGGZLARG-XBXARRHUSA-N	317.316	3.288	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)ccc1F	46686380	APUORXSFFDYADH-UHFFFAOYSA-N	316.351	3.495	10	20	DGCD	
CC[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1nccs1	180802260	RVPJLMHMRMYXQX-BIENSFFJSA-N	318.398	3.009	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)nc(Cl)c2)c1	132321463	JIJKCRBLNVLIRR-SNVBAGLBSA-N	320.776	3.249	10	20	DGCD	
Oc1cc2c(cc1CNc1ccc(OC(F)F)cc1)OCO2	238141023	VMDGKTSNEUOZOT-UHFFFAOYSA-N	309.268	3.334	10	20	DGCD	
Nc1ccc(CCNC(=O)CCCc2ccc(F)c(F)c2)cc1	238122854	YHNZAIZELBXVSB-UHFFFAOYSA-N	318.367	3.229	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)[C@@H]1CCCNC1	236732214	UVBHPMRVJTXTIG-HZPDHXFCSA-N	318.461	3.157	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CC1(Cl)Cl	268653439	RZSXKEFDHNINSI-LLVKDONJSA-N	302.201	3.325	10	20	DGCD	
CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1	269628094	DGXMRWCJVABJFE-KRWDZBQOSA-N	316.357	3.163	10	20	DGCD	
C[C@H](N[C@H](C)CCN(C)C)c1cc(Br)ccc1O	273466072	DSVSUGPATZEJIS-MNOVXSKESA-N	315.255	3.146	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)c1	273422095	SKKKJDGVXDATCB-CQSZACIVSA-N	312.413	3.253	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](O)c1ccccc1	282482428	LUFLCLKSGXZHAK-SFHVURJKSA-N	313.397	3.255	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1	378214198	BODGAEJZTWKQEW-HXUWFJFHSA-N	324.424	3.095	10	20	DGCD	
CCOc1cccc(CNCc2cc(C)cc(Cl)n2)c1O	281901686	FPSUGWPWPUYILR-UHFFFAOYSA-N	306.793	3.438	10	20	DGCD	
Cc1ccccc1OC[C@@H](O)CNc1ccccc1OCCF	819489362	UDYZMRGKPTXHRF-HNNXBMFYSA-N	319.376	3.195	10	20	DGCD	
CCCCCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	818048864	SGGMPVVNZTUIRX-HNNXBMFYSA-N	319.449	3.011	10	20	DGCD	
OCC[C@H](Cc1ccccc1)NCc1cc(Cl)c(F)cc1O	816599772	XYGWVIYBBCSUKK-CQSZACIVSA-N	323.795	3.268	10	20	DGCD	
C[C@@H](CCCN)N[C@@H](C)c1cc(Br)c(F)cc1O	817977932	RSJUTCAHTCRBAE-IUCAKERBSA-N	319.218	3.072	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc2ccccn2c1	734407242	JKTVZDCJPSAQNC-UHFFFAOYSA-N	307.397	3.244	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@H]1COc3cc(F)cc(F)c31)CC2	834765535	NGBQWEKNWCNXGI-OLZOCXBDSA-N	303.308	3.381	10	20	DGCD	
O=C(COC(=O)c1cc(O)cs1)c1cc2ccccc2o1	732355018	ZYWDNQILPGJFMU-UHFFFAOYSA-N	302.307	3.240	10	20	DGCD	
CC[C@@H](N[C@H](C)CC(=O)NC)c1ccc(Cl)c(Cl)c1O	834898927	CECOXCIRNDDCKH-LDYMZIIASA-N	319.232	3.264	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCC(C)(C)CO)cc1	833633213	DXPFJWRDRJSJNM-UHFFFAOYSA-N	314.429	3.233	10	20	DGCD	
COc1ccc(Cc2nnc(Sc3nccs3)o2)cc1	914862506	GYXDTMMJCYCTKL-UHFFFAOYSA-N	305.384	3.277	10	20	DGCD	
CC[C@H]1CCC[C@H]1CNC(=O)NCc1cccc(OC)c1O	838648314	HFUXKVLRGXDRMV-STQMWFEESA-N	306.406	3.026	10	20	DGCD	
COc1cccc(CNC(=O)Cc2cccc(C3CC3)c2)c1O	839633857	XDZUACOZUYGMCD-UHFFFAOYSA-N	311.381	3.137	10	20	DGCD	
CC1(C)C[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2	743608368	ZZXXAFPHHQTHJF-ZDUSSCGKSA-N	302.418	3.116	10	20	DGCD	
CCc1cccc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1O	848905291	GGHJGJPEXCQRGX-NWDGAFQWSA-N	302.422	3.437	10	20	DGCD	
CCC(C)(C)OCCNC(=O)NCc1cc(Cl)ccc1O	845253387	VNPKAPABJVZCKU-UHFFFAOYSA-N	314.813	3.050	10	20	DGCD	
C[C@@H]1C[C@@H](N)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F	846704293	UIQCEXXXLAXETE-YPMHNXCESA-N	315.383	3.083	10	20	DGCD	
CC1(C)CNCC[C@H]1NCc1ccc(N2CCCCC2)cc1	841070305	NBMITKTWFWNASP-GOSISDBHSA-N	301.478	3.155	10	20	DGCD	
CC1(NC(=S)NCc2c(O)ccc3c2CCCC3)CCC1	840733476	RXDKMCFNUBDHIW-UHFFFAOYSA-N	304.459	3.178	10	20	DGCD	
OCC[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1F	842925204	WVBMTDICQTXUNZ-CVEARBPZSA-N	301.361	3.232	10	20	DGCD	
CC(C)n1cc([C@H](C)NCc2ccc(N3CCCC3)cc2)nn1	924646541	CAXQBZBIQDBGTQ-HNNXBMFYSA-N	313.449	3.310	10	20	DGCD	
CC(C)CCN(CCC(C)C)C(=O)C(=O)Nc1ccc(N)cc1	841009394	BUKTYHKXDFDVBT-UHFFFAOYSA-N	319.449	3.128	10	20	DGCD	
CN(C(=O)C1CC1)c1ccc(NC(=O)c2cc(O)cs2)cc1	928480718	WPMBMWGZBNQCKM-UHFFFAOYSA-N	316.382	3.079	10	20	DGCD	
CCC/C=C\C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920887997	JGTJNOHXUFRFTK-IYKSTZQJSA-N	302.418	3.057	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1ccco1)c1cc2c(cc1O)CCCC2	756382569	RMMPRJWGIQOHNC-SJKOYZFVSA-N	301.386	3.248	10	20	DGCD	
Cn1ncc(C2CC2)c1CNCc1c(O)ccc(Cl)c1F	850379888	ZRVWSHMXQYLZPZ-UHFFFAOYSA-N	309.772	3.085	10	20	DGCD	
CC(C)COCCCNCc1cc(F)c(N(C)C)cc1F	858089746	FYNUMHPCBBQQSY-UHFFFAOYSA-N	300.393	3.183	10	20	DGCD	
C[C@@H](COc1ccccc1)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756495504	RVZHMIMCEQUEIV-STQMWFEESA-N	316.357	3.419	10	20	DGCD	
CN1C(=O)/C(=C\c2ccc(F)c3cccnc23)SC1=S	759116217	GJEYZZBLVUBWBK-YRNVUSSQSA-N	304.371	3.205	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@@]2(N(C)C)CCSC2)c2c(O)ccc(F)c21	756638601	UWZGVILSYBXIRJ-ZUCKAHLUSA-N	324.465	3.107	10	20	DGCD	
COC[C@H](C)CC(=O)Nc1c(-c2ccccn2)nc2ccccn12	755380875	IXOXLZOFJZEPPZ-CYBMUJFWSA-N	324.384	3.007	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@H](c3ncc[nH]3)C2)cc1F	862228930	KXDAVNXOCSEEQP-LBPRGKRZSA-N	320.387	3.134	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CCO)C(C)C)cc1	765850422	VGFWZDVLBICOOQ-SFHVURJKSA-N	314.429	3.231	10	20	DGCD	
CC(C)CCC1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768463651	KXYWYNWPRYKXTJ-GOSISDBHSA-N	319.445	3.466	10	20	DGCD	
CCCCN(CCOC)Cc1cc(Br)ccc1O	769389506	PMONMVQRFDTXOC-UHFFFAOYSA-N	316.239	3.403	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(C)sn2)cc1F	767898782	DEVGCOQZRPNCRI-UHFFFAOYSA-N	321.421	3.367	10	20	DGCD	
COC[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccc(C)o1	875335023	QIIBIBDFPLIAFZ-OCCSQVGLSA-N	318.373	3.042	10	20	DGCD	
CC(=O)N1CC[C@@H](NCc2ccc(C)cc2O)c2ccccc21	877121598	WVJBNFDIVRSEMW-QGZVFWFLSA-N	310.397	3.288	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3CS[C@@H](C)C3)C2)cc1	877597888	BQVSDEXWIOWEJO-RRFJBIMHSA-N	306.475	3.005	10	20	DGCD	
COc1cc(CNCc2ccc(C)cc2O)cc(OC)c1OC	876897778	WWIJHHLTNFFXRO-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
COc1cc(NCc2c(C)cccc2O)cc(OC)c1OC	876820197	RVEXKBGSERAEME-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
COc1ncc(/C=C\C(=O)N2C[C@@H](C(C)C)c3ccccc32)cn1	773328998	YDZNADYVFDZHKN-QWGSZXSUSA-N	323.396	3.285	10	20	DGCD	
Cc1ccn2cc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)nc2c1	773010965	UTHVKSIYLUUXMM-AWEZNQCLSA-N	322.412	3.200	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](C)CC2(C)OCCO2)cc1Cl	877670412	PAMODZAEZRGBSD-LLVKDONJSA-N	313.825	3.233	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1	71700046	UGERBUQSOOPYPP-UHFFFAOYSA-N	310.275	3.349	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cc(F)ccc1O	779018334	LBIWOXQXMBRWTI-OAHLLOKOSA-N	314.404	3.238	10	20	DGCD	
COc1ccc(CN(C)Cc2cccc(C)c2O)cc1OC	775642104	GFWNTLVGZDDUON-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)CC1CCC2(CC1)OCCO2	789743642	DRQCZPDRWMBDRL-UHFFFAOYSA-N	318.461	3.118	10	20	DGCD	
Cc1ccc([C@@H](O)[C@@H](C)NCc2cc(F)cc(F)c2O)cc1	883117724	GPBYCCBEOMMWRZ-BZNIZROVSA-N	307.340	3.191	10	20	DGCD	
COc1cc(C)cc(CNCCOc2cccc(F)c2)c1O	894199939	MGQMYVSGPPLXPG-UHFFFAOYSA-N	305.349	3.017	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cccc(F)c2SC)c1	797942531	ULHXDEFUOQTYDG-UHFFFAOYSA-N	321.373	3.192	10	20	DGCD	
CCC1=C(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCO1	790913168	LEEULXFLEAFZGC-CYBMUJFWSA-N	302.418	3.404	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1	1336291114	ZHCGRDZQWLOAMR-GOSISDBHSA-N	309.413	3.186	10	20	DGCD	
O=C(NCCCSc1nccs1)c1ccc2c(c1)NCC2	1521340141	LBPKLRZIHGOOHU-UHFFFAOYSA-N	319.455	3.023	10	20	DGCD	
O=C(O)c1ccc2c(c1)CN(Cc1cccc(Cl)c1O)CC2	1602421683	KFSCDNLGNYKAAO-UHFFFAOYSA-N	317.772	3.302	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1Cc2ccccc2[C@@H](C(=O)O)C1	1600237220	UZAJPAOHRPJNNQ-IBGZPJMESA-N	324.424	3.245	10	20	DGCD	
COc1cccc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)c1C	1607323196	CDMIUFQNVXZDCF-LBPRGKRZSA-N	315.369	3.258	10	20	DGCD	
COc1cc(CN[C@H]2CCCC[C@H]2CN)c(O)c(C(C)(C)C)c1	1579152678	AAJFETRPQHBMJS-GUYCJALGSA-N	320.477	3.305	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ncc(C(=O)O)cc2Cl)c1	1599598971	XTJJEQPZOXLUEF-MRVPVSSYSA-N	322.748	3.321	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@H](C(C)(C)C)C1)c1cc(C(=O)O)ccc1O	1593230047	BFEUYJSZAGBQHV-RBOXIYTFSA-N	321.417	3.335	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1csc2ccc(C(=O)O)cc12	1777698968	VBCSWRGMYNLIHZ-WMZJFQQLSA-N	321.404	3.088	10	20	DGCD	
CCCOc1ccc(CNCC23CC(C(=O)O)(C2)C3)cc1C	1776820660	VFMZQLTUCMRHEU-UHFFFAOYSA-N	303.402	3.128	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc2[nH]cnc12	156337086	WDQKXNBLJGPQEU-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
Nc1ccc(NC(=O)c2cc(F)ccc2Br)cc1	21954430	ZDFFDDBPCIJHNQ-UHFFFAOYSA-N	309.138	3.423	10	20	DGCD	
COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(F)c1	23744827	LVYOJUYICSSQTI-UHFFFAOYSA-N	316.376	3.173	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccc3c(c2)C[C@H](C)O3)SC1=S	40018625	QJLGYRPFJIHXOR-LMRAXHDRSA-N	305.424	3.231	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c1OCCO2	67055563	SQTITVGMQYJKJD-UHFFFAOYSA-N	324.380	3.310	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CC[C@]2(CCOC2)C1	93820008	SYSOWDZEWNFOIG-IBGZPJMESA-N	300.446	3.289	10	20	DGCD	
CCN(Cc1c(O)ccc(C(=O)c2ccccc2)c1O)C1CC1	102884969	KWOQEDYWDRKYTP-UHFFFAOYSA-N	311.381	3.313	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](C)Cn2ccnc2C)cc1	105443460	SUELZJCHNPSCML-MRXNPFEDSA-N	314.477	3.464	10	20	DGCD	
Cc1cccc(CNc2ccc3c(c2)NC(=O)CS3)c1O	158063681	GVJMZWNHYFMEOT-UHFFFAOYSA-N	300.383	3.357	10	20	DGCD	
COc1cc(CN2C[C@@H](C)OC[C@H]2C)c(O)c(C(C)(C)C)c1	163954492	AMFCHNWXRIXEEB-CHWSQXEVSA-N	307.434	3.308	10	20	DGCD	
CCS[C@@H]1CC[C@@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1	180827742	HLIWZMDKTPQLOF-KEGUIYOVSA-N	321.442	3.244	10	20	DGCD	
COCCCOCCN(C)Cc1cc(Cl)cc(Cl)c1O	181520315	IRRUVYFWHPKKNG-UHFFFAOYSA-N	322.232	3.184	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H](C)CC2)c1	190551780	ALJAQHTYOHGCII-GXTWGEPZSA-N	306.406	3.169	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)Nc2cccc(C#N)c2)cc1	191598682	YOEIVVBSMVUWFY-UHFFFAOYSA-N	323.396	3.420	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cc[nH]n3)c2C)c1	194463715	HCILJUKWVWUPPX-UHFFFAOYSA-N	308.385	3.056	10	20	DGCD	
COc1cc(Cl)cc(CNCC2(CO)CCCCC2)c1O	228675982	SSZKNEIEIDMCDA-UHFFFAOYSA-N	313.825	3.087	10	20	DGCD	
CC(C)(C)c1ccc(CCNC(=O)Cc2ccc(N)cc2)cc1	236585034	DYDDOKWJYATRSI-UHFFFAOYSA-N	310.441	3.468	10	20	DGCD	
CCOc1ccc(O)c(CNCc2ccccc2N(C)C)c1	267889701	SKPKUSCVRJHBFC-UHFFFAOYSA-N	300.402	3.147	10	20	DGCD	
C[C@H](C(=O)N(C)C1CCCCC1)N(C)Cc1ccccc1O	269605818	CFABGYFIBSZMSU-CQSZACIVSA-N	304.434	3.004	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC2([C@H](C)CCO)CCC2)c1	273532160	WRCNNJVJHYBCMN-KGLIPLIRSA-N	307.434	3.240	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2ccc(-n3cncn3)cc2)c(O)c1	285017850	HJBHHYGLIVKLCR-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ocnc1C1CC1	289287817	PHAQUEPZQVQVMA-UHFFFAOYSA-N	311.385	3.082	10	20	DGCD	
CN(C)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1	298435835	ZHQJPYAPAZGOET-UHFFFAOYSA-N	323.440	3.283	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccco1	298865159	UOQLQGUXULCBNL-UHFFFAOYSA-N	315.417	3.466	10	20	DGCD	
COCCCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	299345126	REDDKWFGHVXZBX-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCN3CCC[C@H]3C2)cc1	378951311	HTXCXOPWJQOVRI-MJGOQNOKSA-N	301.478	3.249	10	20	DGCD	
CCc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O	691511565	KXGOUEXBICLJNN-HNNXBMFYSA-N	320.433	3.054	10	20	DGCD	
CCCn1cc(NCc2c(O)cccc2Br)cn1	722372464	ZDXNQGDDYDKGFK-UHFFFAOYSA-N	310.195	3.373	10	20	DGCD	
CCN(Cc1nc(O)c2ccccc2n1)c1ccc(OC)cc1	728918263	TXPLOOJCVZOHTJ-UHFFFAOYSA-N	309.369	3.371	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2ccn3C)c1	729534968	GUDBOBJBJUHVCR-GFCCVEGCSA-N	324.380	3.384	10	20	DGCD	
CCN(CC)c1ccc(CNc2ncnc3c2ncn3CC)cc1	731976954	JSFDJVMVXUSUHI-UHFFFAOYSA-N	324.432	3.305	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1	739922930	RSVZDVCWKJKEEH-GJZGRUSLSA-N	304.434	3.026	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cnc(-c2ccccc2)nc1	748324316	BAQYVQMCLPYDRE-UHFFFAOYSA-N	320.352	3.171	10	20	DGCD	
CN(C)c1ccc(/C=C/c2ncc(/C=C\C(=O)O)s2)cc1	751035022	DRJVFHZYRZCWJR-SXIMUEDZSA-N	300.383	3.477	10	20	DGCD	
CCOCc1cc(CNCC2(CO)CCCCC2)ccc1OC	751508726	BVUGZVZQVFOKJZ-UHFFFAOYSA-N	321.461	3.264	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@H](C)CC1	755719550	JOXKVZAESODNGX-CQSZACIVSA-N	321.490	3.098	10	20	DGCD	
C[C@H](NCc1nc2cc(F)ccc2n1C)c1cc(F)ccc1O	756733551	PXNWKKOZIRHILN-JTQLQIEISA-N	317.339	3.408	10	20	DGCD	
C[C@H](NCc1cocn1)c1cc(Br)cc(F)c1O	756831850	PDEZEBCWGJNXLV-ZETCQYMHSA-N	315.142	3.133	10	20	DGCD	
C[C@H](NC1COC(C)(C)OC1)c1ccc(N2CCCCC2)cc1	757705541	OJJOCWXSXIUCLJ-HNNXBMFYSA-N	318.461	3.479	10	20	DGCD	
C[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1	765359775	YLHPMEQQQWLXMV-RDJZCZTQSA-N	323.440	3.209	10	20	DGCD	
Cc1nccn1CCN1CCCc2cc(OC(F)F)ccc21	766251758	YBQLEFKHOMZGEY-UHFFFAOYSA-N	307.344	3.246	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1coc(C2CCC2)n1	766685947	WPJXPQLSYCHRCL-UHFFFAOYSA-N	313.401	3.247	10	20	DGCD	
C/C=C\C[C@@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C	771620713	NBSLHLYYWYKLTE-WSNITJDQSA-N	318.442	3.213	10	20	DGCD	
CC(C)[C@]1(C)C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C	772946158	HUKRFUHEOCOFRR-LPHOPBHVSA-N	300.446	3.367	10	20	DGCD	
CC[C@@H](N[C@H](CCO)CSC)c1cc(Cl)ccc1O	775509692	PCVUEAFJFDQAQZ-DGCLKSJQSA-N	303.855	3.200	10	20	DGCD	
CCOC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1O	775642369	GGTCRCOBELXBHU-CYBMUJFWSA-N	315.772	3.102	10	20	DGCD	
CC[C@@H](NC[C@H](OC)C(F)(F)F)c1ccc(N(C)C)cc1	777012294	PCYBNDGKFMKGFQ-KGLIPLIRSA-N	304.356	3.371	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CSc2ccccc21	779517441	BDNWEWGZKDKFAN-CFNZNRNTSA-N	313.378	3.074	10	20	DGCD	
COC(=O)[C@H]1CCCCCN1Cc1cc(Cl)cc(F)c1O	781527329	MKXHLSMIGNLGOK-CYBMUJFWSA-N	315.772	3.102	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCCc2ccsc2)c1	783587176	BVKZZXZNHYLBJI-UHFFFAOYSA-N	305.399	3.101	10	20	DGCD	
CCOC(CCN[C@H](C)c1cc(F)cc(F)c1O)OCC	786970772	OKZGTHYBFQDERS-SNVBAGLBSA-N	303.349	3.110	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(O)c1	792777187	JTVWSBMDYUSACZ-WFGGJUAMSA-N	318.417	3.025	10	20	DGCD	
O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(O)c1O	794279793	KIIJSFBJMXFVPZ-OCCSQVGLSA-N	315.344	3.303	10	20	DGCD	
COc1ccc(CNC(=O)c2c(C)[nH]c3ccccc23)c(O)c1	794378081	PAFUWELMNGXBIZ-UHFFFAOYSA-N	310.353	3.121	10	20	DGCD	
CSc1ccc(CCNCc2cc3c(cc2O)OCO3)cc1	797878087	LVPDFYQRQASDKQ-UHFFFAOYSA-N	317.410	3.175	10	20	DGCD	
CC(C)COCCN(Cc1ccccc1O)C[C@@H]1CCCO1	800356772	WQIUCQKYLNCCKO-KRWDZBQOSA-N	307.434	3.046	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ncnn2C(C)(C)C)c2c(O)ccc(F)c21	800500070	PPHKPLPTQWVXOE-CMPLNLGQSA-N	318.396	3.216	10	20	DGCD	
COc1ccc(CNc2nccc(C)c2Br)c(O)c1	804682008	IXDQNSVITUDCOU-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccnc1F	807486572	SVEQPMMKGYTFKW-UHFFFAOYSA-N	302.349	3.369	10	20	DGCD	
CN(C)CCN(Cc1cccs1)Cc1cc(F)ccc1O	809746408	QQAVYNGMINVNMC-UHFFFAOYSA-N	308.422	3.157	10	20	DGCD	
CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	812484148	VRIRVMOEXKTSAC-YXJHDRRASA-N	316.445	3.137	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ncccc1Cl	814103552	POHLXFFPKJBIPR-UHFFFAOYSA-N	303.793	3.073	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H](CC)c1ccc(N(C)C)cc1	815633261	KAZCLFSISZWXEV-MAUKXSAKSA-N	319.493	3.346	10	20	DGCD	
NC(=O)CCC1CCN(Cc2ccc3ccccc3c2O)CC1	816514234	QODNXTLVVBIFNB-UHFFFAOYSA-N	312.413	3.023	10	20	DGCD	
C[C@H]1CC[C@@H](C(=O)O)CN1Cc1ccc(N2CCCCC2)cc1	817881453	TZDDHBDMMOUCED-DOTOQJQBSA-N	316.445	3.362	10	20	DGCD	
C[C@H](NC[C@@H]1CCCCN1)c1ccc(Cl)c(Cl)c1O	817949371	JWVDKHVQLMCGHJ-UWVGGRQHSA-N	303.233	3.492	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H](O)CCC(C)C)CC2)cc1	819001768	DURKMRJQDLUCEA-SFHVURJKSA-N	320.477	3.051	10	20	DGCD	
CCn1ccnc1[C@@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	825005944	VQKRIGCWUIEXRJ-SECBINFHSA-N	324.768	3.021	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@]2(C)CCCC[C@H]2C)c1O	835075312	XKZGFDFNOSOIBL-BZNIZROVSA-N	308.378	3.367	10	20	DGCD	
COC[C@H](C)[C@@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839921551	KZKKKULYBNUAAV-ARFHVFGLSA-N	320.477	3.027	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H]1C	840480559	WXNSHCZFFFMUNR-LSDHHAIUSA-N	303.450	3.186	10	20	DGCD	
COc1ccc(C[C@H](C)NCCCSc2nccs2)cn1	840723493	PMYOTZAIWMDMNA-LBPRGKRZSA-N	323.487	3.250	10	20	DGCD	
CC[C@@](CNCc1ccccc1O)(C(=O)OC)c1ccccc1	840977198	GGUJHBZHUJIYKZ-IBGZPJMESA-N	313.397	3.003	10	20	DGCD	
C[C@H](NCCCOC[C@H]1CCOC1)c1ccc(Cl)cc1O	841756415	XSYCRAPKZVDKLH-QWHCGFSZSA-N	313.825	3.139	10	20	DGCD	
Cc1ccc2c(c1)[C@@H](NC(=O)NCCc1ccc(N)cc1)CCC2	841905736	JFDUDDSYSOPRET-IBGZPJMESA-N	323.440	3.497	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN(C1CCNCC1)C1CC1	843043631	AESLHUIARJGCFU-UHFFFAOYSA-N	313.489	3.393	10	20	DGCD	
N[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H]1c1ccccc1	843114038	HBTJAONTJWBOQK-SWLSCSKDSA-N	320.795	3.111	10	20	DGCD	
Cc1cc(Br)c(O)c(CN2C[C@@H]3[C@H](C2)C3(F)F)c1	846111838	NXQJMMWEXWHUEX-AOOOYVTPSA-N	318.161	3.160	10	20	DGCD	
CCc1cccc(CN(C)Cc2ccccc2[N+](=O)[O-])c1O	848880419	DATUHUPIYWWRSU-UHFFFAOYSA-N	300.358	3.495	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=N)Nc1cc(F)ccc1F	849079462	POBYEAFOTOGEQO-UHFFFAOYSA-N	318.371	3.476	10	20	DGCD	
Oc1ccccc1CN(Cc1cccc(F)n1)C[C@H]1CCCO1	851840135	ACEXYSFHCVSHDP-MRXNPFEDSA-N	316.376	3.108	10	20	DGCD	
C[C@@H](NCCOCCF)c1ccc(N2CCCCC2)c(F)c1	853238850	SWIYOUFXBUXOSZ-CQSZACIVSA-N	312.404	3.453	10	20	DGCD	
CC1(C)CC(=O)c2cccc(NC(=O)c3cc(O)cs3)c2O1	870770828	XHNACJYWOUGVID-UHFFFAOYSA-N	317.366	3.450	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)NCCC1=CCCCC1	879648727	AVPRYRHQSNPAIF-CABCVRRESA-N	316.445	3.438	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)c1c(O)cccc1F	886528150	HVPIGANRSQYFAW-HZMBPMFUSA-N	301.365	3.358	10	20	DGCD	
COc1cc(C)cc(CNc2cccc([S@](C)=O)c2)c1O	894120123	KPIBGVFHPYVVAH-NRFANRHFSA-N	305.399	3.059	10	20	DGCD	
COc1ccc(CN2Cc3cc(F)c(F)cc3C2)c(O)c1OC	895218019	OAVCHIBUMCNFSU-UHFFFAOYSA-N	321.323	3.203	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(CC(N)=O)cc1	1117671849	RBEAXLQTMORERM-CJNGLKHVSA-N	324.424	3.067	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1	1120900401	WNOBLBUPEQKKKK-RBUKOAKNSA-N	323.440	3.348	10	20	DGCD	
CNC(=O)C1CCC(N[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)CC1	1320249379	YJCUZDKUWFVNMD-XSCHDIRWSA-N	316.445	3.143	10	20	DGCD	
COCc1cc(NCc2ccccc2O)nc(C(C)(C)C)n1	1322909874	IEZGYLAWMGFWNF-UHFFFAOYSA-N	301.390	3.238	10	20	DGCD	
CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C12CCC2	1336448345	ARIMIEZGUOLXTC-UHOFOFEASA-N	318.417	3.100	10	20	DGCD	
CC[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ccc(N)cc1	1337070573	SFJNGGMAJJXBBX-KRWDZBQOSA-N	315.392	3.228	10	20	DGCD	
C[C@H](NCC[C@@H]1CCC2(CCC2)O1)c1cc(C(=O)O)ccc1O	1593265845	YIVYMZUOOYFPOY-JSGCOSHPSA-N	319.401	3.233	10	20	DGCD	
CCCc1nc(C)c(CN[C@@H](C)c2cc(C(=O)O)ccc2O)o1	1596083798	VJKAQWPNEDQAJW-JTQLQIEISA-N	318.373	3.190	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C(=O)O)c1ccsc1	1605320955	XDBBXFXQOMEZSX-HNNXBMFYSA-N	305.399	3.492	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccccc1Br	37846068	CYWWRPIZVWOBCK-UHFFFAOYSA-N	320.186	3.427	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)CN1CCSC1=O	73389038	FJDYODCCMYMFFJ-UHFFFAOYSA-N	319.474	3.235	10	20	DGCD	
Oc1c(Br)cccc1CN[C@H]1CCCSC1	129238351	GFAFSLNWTZBNOK-JTQLQIEISA-N	302.237	3.140	10	20	DGCD	
CN(Cc1cccc(Br)c1O)[C@@H]1CCSC1	130576058	CUGRHJMDYNEXOB-SNVBAGLBSA-N	302.237	3.092	10	20	DGCD	
COc1cccc(CNC(=O)/C=C/SCc2ccco2)c1O	155363740	TYRFEQXARXCTQA-VQHVLOKHSA-N	319.382	3.057	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)C3CCOCC3)CC2)cc1	157456318	OYYZPQJQCFCRQH-OAHLLOKOSA-N	318.461	3.069	10	20	DGCD	
CN1CC[C@H]2[C@H](CCCN2Cc2cc3c(cc2O)CCCC3)C1	160453810	JUGXUYLLKPDOGL-MJGOQNOKSA-N	314.473	3.187	10	20	DGCD	
CCOC(=O)CC[C@H]1CCCN(Cc2cc(F)ccc2O)C1	180286862	DOIWSQBDDHZYGF-CYBMUJFWSA-N	309.381	3.087	10	20	DGCD	
COc1ccc(O)c(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c1	180546019	CUKNEOWBLWULIO-YVEFUNNKSA-N	319.426	3.424	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@@H]1COC2(CCCCCC2)O1	180910044	MKLQASNYCCLRAN-OAHLLOKOSA-N	309.381	3.087	10	20	DGCD	
CC[C@@H](NCC(=O)N(C)Cc1ccccc1)c1ccccc1O	183330155	COZBTXDJQYXLFH-QGZVFWFLSA-N	312.413	3.092	10	20	DGCD	
CCn1cc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1	183374203	OQSWBQZYWPUBLY-ZDUSSCGKSA-N	318.396	3.052	10	20	DGCD	
C[C@@H](CO[C@H]1CCOC1)N[C@@H](C)c1cc2c(cc1O)CCCC2	185673672	CFHCFJITWLJPTD-ZQIUZPCESA-N	319.445	3.116	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)OCC(F)(F)F)cc1	194240840	JZZFJYOXDXHJPM-UHFFFAOYSA-N	304.312	3.321	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(C3CC3)on2)cc1	194648492	HSQVFNHDRGADSD-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
Cc1cccc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O	224828489	QPHAMNDJDFECCL-HNNXBMFYSA-N	320.433	3.190	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCCS3)cc2)CC1	266446742	NCEPUEFTSXOUIK-QGZVFWFLSA-N	318.486	3.435	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2c3ccccc3C[C@H]2O)cc1	269086281	PMZQNXPOMUJZMW-VHKYSDTDSA-N	310.441	3.452	10	20	DGCD	
Cc1cccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1O	271762250	FBGZHDQLBDKXAC-JKSUJKDBSA-N	301.386	3.382	10	20	DGCD	
C[C@@H](NCc1cncn1C)c1ccc(Cl)c(Cl)c1O	289931258	VLTQKFDYEOWNDS-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
Fc1cccc(NCc2ccc(N3CCSCC3)cc2)n1	301096145	NAFJHLIROZELKR-UHFFFAOYSA-N	303.406	3.386	10	20	DGCD	
CC1CCN(C(=N)NCc2c(O)ccc3c2CCCC3)CC1	304333642	RPXDFAHRKUEYGV-UHFFFAOYSA-N	301.434	3.027	10	20	DGCD	
CC[C@H]1CN(Cc2cccc(Br)c2O)CCCO1	305961582	PBSHMNPLLZSHCA-LBPRGKRZSA-N	314.223	3.156	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1	367684781	LLVGFASPQICZQO-HOTGVXAUSA-N	319.445	3.430	10	20	DGCD	
CC(C)n1cc(CN2CCCc3cc(OC(F)F)ccc32)nn1	377617182	AAWPBWNRVGFINZ-UHFFFAOYSA-N	322.359	3.413	10	20	DGCD	
COc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1	396180906	GOCDRVGIPIWKBO-ROUUACIJSA-N	308.425	3.263	10	20	DGCD	
CN(Cc1c(O)cccc1Br)C[C@@H]1CCCCO1	707147177	VBNSVGQXTCJLAK-NSHDSACASA-N	314.223	3.156	10	20	DGCD	
COc1ccc(C2(NCc3cc([N+](=O)[O-])ccc3O)CC2)cc1	731678623	SZTPLGATJJCIHR-UHFFFAOYSA-N	314.341	3.088	10	20	DGCD	
COc1ccc(CN(C(=O)c2cc(O)cs2)C2CC2)cc1	731864190	OEWBORHQQXBAKP-UHFFFAOYSA-N	303.383	3.267	10	20	DGCD	
COc1ccc(CNCc2ccc([S@](C)=O)cc2)cc1C	751991558	WAQDBWXFHFXGHP-NRFANRHFSA-N	303.427	3.031	10	20	DGCD	
CC1(C)C(NC(=O)NCc2ccc(N3CC=CC3)cc2)C1(C)C	752013685	GMEFVBUXWJDIHK-UHFFFAOYSA-N	313.445	3.297	10	20	DGCD	
Cc1cc(C)cc([C@@H](NCc2ccc(N(C)C)cc2)C(=O)O)c1	756389650	QUYVJFJFNLGNMC-GOSISDBHSA-N	312.413	3.285	10	20	DGCD	
C[C@H](N[C@H](C)CN1CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1O	756459357	NUBAJRJCQPNBQC-MCIONIFRSA-N	321.421	3.071	10	20	DGCD	
Cc1ccc([C@@H](C)NCC2(N(C)C)Cc3ccccc3C2)c(O)c1	756596885	IFDWVKSPNJUDBL-MRXNPFEDSA-N	324.468	3.450	10	20	DGCD	
C[C@H]1C[C@H](N[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CN1C1CC1	756640103	IRUPUQUBAOJXII-YXMPFFBPSA-N	304.409	3.294	10	20	DGCD	
Cc1csc(CN(C)c2ccc(OCCN(C)C)cc2)n1	761221299	DJGUAQKOZOELQJ-UHFFFAOYSA-N	305.447	3.028	10	20	DGCD	
COc1ccc2c(c1)CCCCN2C(=O)/C=C\c1cccnc1	766053518	VKCPDBJQQVYARP-YFHOEESVSA-N	308.381	3.473	10	20	DGCD	
O=C(Cc1ccco1)Nc1c(-c2ccccn2)nc2ccccn12	769700120	WEKQQXXQCCQOJO-UHFFFAOYSA-N	318.336	3.171	10	20	DGCD	
COCCN(CCOc1ccc(F)cc1)Cc1ccccc1O	770511094	ZVLOXKYWKMCZKF-UHFFFAOYSA-N	319.376	3.059	10	20	DGCD	
CC1CCN(C(=O)[C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	774483383	KEFFLRHSIQTKHT-JKSUJKDBSA-N	317.477	3.050	10	20	DGCD	
C[C@H](NCC1CCN(C2CC2)CC1)c1cc(F)cc(F)c1O	774498027	PVWYOWUOVUFYMB-NSHDSACASA-N	310.388	3.195	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1cccnc1	776101366	XHCJYGYZOARSAF-KGLIPLIRSA-N	312.417	3.269	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@@H](C)C3)CC2)cc1	776318196	ZQIHELBTGGULPK-CABCVRRESA-N	316.445	3.216	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1C	776765976	MXURVRPTKTXAMD-LJQANCHMSA-N	315.388	3.242	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(N(C)C)c(F)c1	779432631	XXRQHRLMGXKJBB-KSSFIOAISA-N	322.424	3.103	10	20	DGCD	
CC(=O)c1cc(F)cc(CNC(C)(C)C2CCOCC2)c1O	786172878	GWESJCWUPLVSPN-UHFFFAOYSA-N	309.381	3.029	10	20	DGCD	
C[C@@](CO)(NCc1c(O)ccc(Cl)c1F)c1ccccc1	790966658	YHKVDQREQANTDP-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
COc1ccc(CNc2ccc([N+](=O)[O-])cc2C(C)=O)c(O)c1	804683467	XUMIBWPGLPMQCN-UHFFFAOYSA-N	316.313	3.124	10	20	DGCD	
CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(C)c(C)cc1O	809692151	XZBUVUCSEATNQR-INIZCTEOSA-N	320.433	3.110	10	20	DGCD	
Fc1cc(CN2CCC[C@@H](C3CC3)C2)ccc1N1CCOCC1	809786872	NODPNTFHXFQYCG-QGZVFWFLSA-N	318.436	3.284	10	20	DGCD	
CCOc1ccc(O)c(CNCC2(COC)CCCCC2)c1	810178069	MHXZNCUEHFLXQI-UHFFFAOYSA-N	307.434	3.477	10	20	DGCD	
COc1cc2c(cc1NCc1cnnn1C)oc1ccccc12	811727360	ZAVRJDBZAIBLLN-UHFFFAOYSA-N	308.341	3.335	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3ccc4ccccc4c3O)CC[C@@H]21	816521238	KLUPJGIADMOLFN-LPHOPBHVSA-N	310.441	3.462	10	20	DGCD	
CC(C)[C@@H](NCc1cc(Cl)c(F)cc1O)C1(CO)CCC1	816616893	IUNUZRUEAAJYBI-OAHLLOKOSA-N	315.816	3.462	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@@H]2CNC[C@@H]2C1)c1ccc(N(C)C)cc1	817985207	HCAZQOXKPRKMNF-NTDBWNAOSA-N	301.478	3.181	10	20	DGCD	
COc1cccc(O)c1CN1CCOC[C@H]1c1ccc(F)cc1	825045432	DIXYEOBHSBYVNS-INIZCTEOSA-N	317.360	3.113	10	20	DGCD	
CCN(CC)c1ccc(CN(CC(F)F)C[C@H](C)O)cc1F	825099471	ZZHHBLJQRCPNNK-LBPRGKRZSA-N	318.383	3.120	10	20	DGCD	
CC[C@@H](NC[C@H](CO)c1ccc(OC)cc1)c1ccccc1O	839184893	MGXAUILXSDWXTB-CRAIPNDOSA-N	315.413	3.218	10	20	DGCD	
CCc1nocc1CN(C)Cc1cc2c(cc1O)CCCC2	840089766	SKSHRTLQXPWHOM-UHFFFAOYSA-N	300.402	3.453	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1F	840958229	OAZWMDABKJDGAZ-QFBILLFUSA-N	314.404	3.200	10	20	DGCD	
COc1ccc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)cn1	840974951	ADUDIDPOVHNCNQ-OAHLLOKOSA-N	313.445	3.185	10	20	DGCD	
C[C@@H](C(=O)O)N(C)Cc1ccc2c(c1)CCN2Cc1ccccc1	840995774	VOLLHPWQRIMSPE-HNNXBMFYSA-N	324.424	3.154	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CCO)c2ccccc2F)c1	842922801	DTEDZQMNRIIDEX-PXAZEXFGSA-N	319.376	3.314	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)Nc2ccsc2)cc1	844556543	JQRBUSIEQJTSIC-UHFFFAOYSA-N	319.430	3.357	10	20	DGCD	
COc1cc(CNC[C@H]2CCC[C@@H](O)C2)c(O)c(C(C)(C)C)c1	850155605	DOWLJLFTLOBSEU-DZGCQCFKSA-N	321.461	3.339	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1F	850386628	KJJDUNBCHIJBGH-KRWDZBQOSA-N	300.377	3.374	10	20	DGCD	
Oc1cccc2c1[C@@H](N[C@H]1CCN(C3CCCCC3)C1)CC2	850538926	OGWGKIGDIHOKQL-RDJZCZTQSA-N	300.446	3.376	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC(C)(C)F	852384543	DINXSOHLAWZHDB-AWEZNQCLSA-N	323.456	3.429	10	20	DGCD	
C[C@H](NC(=O)N1CCC(C)(F)CC1)c1ccc(N(C)C)cc1	868514842	FCEWMBLCOOBMDM-ZDUSSCGKSA-N	307.413	3.347	10	20	DGCD	
COC(=O)[C@H](NCc1ccc(C)cc1O)c1ccc(C)c(C)c1	877427589	NFFYPZVMSJYMHR-GOSISDBHSA-N	313.397	3.321	10	20	DGCD	
CCOC(=O)N1CCC([C@H](C)NCc2ccc(C)cc2O)CC1	877432303	UEZXUJXOSXSRTJ-AWEZNQCLSA-N	320.433	3.047	10	20	DGCD	
CN(C)[C@H](CNCc1cc(F)cc(F)c1O)c1ccsc1	882882562	QJNNONVMQRRIDW-CQSZACIVSA-N	312.385	3.124	10	20	DGCD	
COc1cccc(CCN[C@H](C)c2c(O)cccc2F)c1OC	886507778	YDWASZYMHYJEGN-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1c(O)cccc1F	886551598	KOQNRYRESHWTLC-WFASDCNBSA-N	320.408	3.116	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)c1O	894325516	JGPWIGUISQQZJC-YVEFUNNKSA-N	319.376	3.060	10	20	DGCD	
O=Cc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)co1	930935872	WJOQIARREMIRNN-UHFFFAOYSA-N	312.369	3.012	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CNc2ccccc21	1263101675	YYIGNIUHLBXDDV-INIZCTEOSA-N	323.440	3.277	10	20	DGCD	
O=[N+]([O-])c1ccccc1NNC(=S)Nc1cccc(F)c1F	1320114550	AGAHFFAVGRCZGM-UHFFFAOYSA-N	324.312	3.187	10	20	DGCD	
CC(C)[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)C(F)(F)F	1593353272	RWIYITPYUPUACY-PELKAZGASA-N	305.296	3.328	10	20	DGCD	
Cc1cc([C@@H](NCc2cc(Cl)ccc2O)C(=O)O)ccc1F	1607612406	NQATUFGLDAHBGD-OAHLLOKOSA-N	323.751	3.409	10	20	DGCD	
CN(Cc1cccc(Cl)c1)c1ccc(OCC(=O)O)cc1	1610122929	QQLNFOGWFYRNRP-UHFFFAOYSA-N	305.761	3.440	10	20	DGCD	
C[C@@]1(C(=O)O)CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1	1776501089	YLOZIRHPSBBCOQ-QFBILLFUSA-N	316.445	3.410	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](C(=O)O)C3CCCC3)ccc21	1776875139	IOXHBAXRKGCSKP-SFHVURJKSA-N	316.445	3.192	10	20	DGCD	
Cc1ccccc1[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1777467676	CPRNSKVMJNREKE-OAHLLOKOSA-N	323.751	3.409	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CCO)c2ccccc2)cc1F	77468290	MDKCFVOYEHLRFW-QGZVFWFLSA-N	302.393	3.105	10	20	DGCD	
CCOc1ccc(O)c(CNCCc2ccc([N+](=O)[O-])cc2)c1	105448196	JMCONYBQSHLWTG-UHFFFAOYSA-N	316.357	3.031	10	20	DGCD	
CCc1nc(CN2CCCc3cc(OC(F)F)ccc32)no1	111205924	GGLMCHVZRKWQKH-UHFFFAOYSA-N	309.316	3.186	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(C)cc2)c1	114590087	IMCSROZFSRGGHZ-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1ccsc1	115855167	GKULIVMYWSVNGX-UHFFFAOYSA-N	317.458	3.464	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC2(CCC2)C1	151001027	VMNFNVSXNMBPGP-UHFFFAOYSA-N	311.429	3.148	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCc2ncc[nH]2)c1	172992758	FPOYCRMVGGKDDJ-UHFFFAOYSA-N	322.412	3.098	10	20	DGCD	
Cc1ccc(C(=O)Nc2cnccc2OC(C)(C)C)c(O)c1O	182893252	TVHJFESDIAXQLR-UHFFFAOYSA-N	316.357	3.231	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)/C=C\c1ccc(Cl)nc1	255041872	XTJFFGZIFKFKFW-CLFYSBASSA-N	302.761	3.112	10	20	DGCD	
Cc1cccc(C)c1OC[C@@H](C)NC(=O)Cc1ccc(N)cc1	262626201	IWKIYMCJEQTYSC-OAHLLOKOSA-N	312.413	3.012	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)/C=C/c2ccn(C)c2)C2CC2)cc1	277050617	LKCWGFLMALNGGB-IZZDOVSWSA-N	323.440	3.296	10	20	DGCD	
CCc1cncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1	279016918	NONPQRUBYMOKBP-UHFFFAOYSA-N	309.413	3.174	10	20	DGCD	
Cc1cc(CNC(=O)c2cc(C)n(-c3ccccc3)c2C)n(C)n1	283972915	AFVKVOVLKDXMPI-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
CSCc1ccc(CNCc2cc([N+](=O)[O-])ccc2O)cc1	285479148	LJGGRJNDYGGSTJ-UHFFFAOYSA-N	318.398	3.453	10	20	DGCD	
CC[C@@H](NCCC(=O)NC1CCCCC1)c1ccc(F)cc1O	286034361	KGIVZDADAXDDJP-MRXNPFEDSA-N	322.424	3.411	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCO[C@H](C(F)(F)F)C2)cc1F	287729727	PBFYTKJCQPCQDW-FZMZJTMJSA-N	320.330	3.091	10	20	DGCD	
CN(C)c1ccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)cc1	289914331	RVBDFNOSNDGBPX-UXHICEINSA-N	310.441	3.008	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1occc1C	291798851	PLZAKLCDSZYECU-UHFFFAOYSA-N	315.417	3.386	10	20	DGCD	
Cc1cc(CN2CCSC3(CCOCC3)C2)ccc1N(C)C	294583012	MSTVYBAZZZEAEU-UHFFFAOYSA-N	320.502	3.159	10	20	DGCD	
COC1CCN(c2ccc(CN3C[C@@H](C)[C@@H](C)C3)cc2)CC1	295032127	NCWPCPSZDUBZHQ-IYBDPMFKSA-N	302.462	3.390	10	20	DGCD	
CCN1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1	320628087	BCSMDBIJVMSHIL-GFCCVEGCSA-N	324.852	3.164	10	20	DGCD	
Cc1c(CNC(=O)CCc2cscn2)n(C)c2ccccc12	348661579	OSIVMVROSBDIDJ-UHFFFAOYSA-N	313.426	3.192	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](CC(C)(C)C)NC	395688433	SAIWHLDQJMNDLT-QGZVFWFLSA-N	319.493	3.125	10	20	DGCD	
CC[C@]1(C)CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	399771237	SMAGZTXKHKYOSL-BIENSFFJSA-N	304.346	3.319	10	20	DGCD	
CCc1ncsc1NC(=O)NCc1ccc(N(C)C)cc1C	747375059	KLTVPNKSVNGJJQ-UHFFFAOYSA-N	318.446	3.402	10	20	DGCD	
Cc1nc(NCc2ccc(N3CCOCC3)c(F)c2)sc1C	756959623	QRSLHMLXWZDCOD-UHFFFAOYSA-N	321.421	3.348	10	20	DGCD	
C[C@H](NC[C@@H](C)c1nccs1)c1cc([N+](=O)[O-])ccc1O	757701290	YHVJVTKXBFPCGZ-ZJUUUORDSA-N	307.375	3.211	10	20	DGCD	
CCCCCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	759004832	RJASIISMCIQQDZ-UHFFFAOYSA-N	324.490	3.237	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)C[C@H]3CCOC3)CC2)cc1	766583244	RYHUVCCYLMUPHV-HZPDHXFCSA-N	318.461	3.069	10	20	DGCD	
C[C@H](NC(=O)N1CCSC(C)(C)C1)c1ccc(N(C)C)cc1	773610933	MXISHXVESCQYCF-ZDUSSCGKSA-N	321.490	3.351	10	20	DGCD	
Oc1cccc(Cl)c1CNCCn1cnc2ccccc21	776174243	GAYDURQWWUTMTB-UHFFFAOYSA-N	301.777	3.185	10	20	DGCD	
CCN1C(=O)/C(=C\c2nc3c(s2)CCCC3)SC1=S	776263302	RJKHGXMPVRVFGH-JXMROGBWSA-N	310.469	3.243	10	20	DGCD	
CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)c1cccnc1	778230542	CBJBQTACFIQGLP-UHFFFAOYSA-N	323.440	3.276	10	20	DGCD	
Fc1cc(CNC[C@H]2CCCCS2)ccc1N1CCOCC1	784615436	HWLNZWFEHGDIBS-OAHLLOKOSA-N	324.465	3.038	10	20	DGCD	
O=C(N[C@H]1CCSc2ccccc21)c1c(F)ccc(O)c1O	789944662	VJUOLNIKMJFCLF-NSHDSACASA-N	319.357	3.204	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)S1=O	792192354	NCCOALCTKZPMIG-HZPDHXFCSA-N	320.502	3.018	10	20	DGCD	
CCc1nocc1CN(Cc1ccccc1O)C[C@@H]1CCCO1	816481524	ZHASOTHXVWMZSO-INIZCTEOSA-N	316.401	3.124	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc(C(N)=O)cc2OC(C)C)c1	817418427	PWICGHCFVNBQPW-UHFFFAOYSA-N	314.385	3.199	10	20	DGCD	
O[C@@H](CCc1ccccc1)CNCc1ccc(N2CC=CC2)cc1	819094204	BQWLKCLQXDSNEL-NRFANRHFSA-N	322.452	3.146	10	20	DGCD	
CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)cc1O	820667751	FUAGPPCVDRZQPW-KRWDZBQOSA-N	313.397	3.229	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2CC(=O)O)c(O)c(C(C)(C)C)c1	832882290	CDSWAZRMBUUTFF-CQSZACIVSA-N	305.418	3.437	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNCCC2CC(F)(F)C2)c1O	835062062	XSPFNOXOHDTEDD-UHFFFAOYSA-N	320.723	3.479	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O	838648309	HFUXKVLRGXDRMV-CHWSQXEVSA-N	306.406	3.026	10	20	DGCD	
C[C@@H](CC(C)(C)NCc1c(O)ccc(Cl)c1F)C(=O)O	841816040	OILBTBWAPBRFFN-QMMMGPOBSA-N	303.761	3.164	10	20	DGCD	
C[C@H](N[C@@H]1CCS[C@H]1C)c1ccc(N2CCOCC2)c(F)c1	842926892	AVYOJJGSRFBQHI-HEHGZKQESA-N	324.465	3.207	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@H](N)C2)cc1	843046823	DQIFJWXOEHPRFB-IBGZPJMESA-N	309.457	3.246	10	20	DGCD	
COc1ccc(N(C)CCN(C)CCc2csc(C)n2)cc1	844402109	UYHUWMYHXOHXQC-UHFFFAOYSA-N	319.474	3.071	10	20	DGCD	
Oc1ccccc1CN(Cc1ccco1)C(=S)NCC1CC1	849252835	KJHFWEWFDVXPBM-UHFFFAOYSA-N	316.426	3.272	10	20	DGCD	
CCn1nncc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1	858440468	VTCRFPRJGRURNJ-HNNXBMFYSA-N	313.449	3.139	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC2(CC2)C1	861853414	DDKKOWFUVLWRML-UHFFFAOYSA-N	308.381	3.143	10	20	DGCD	
CC[C@@]1(CO)CCCN(Cc2cc(F)c(N(C)C)cc2F)C1	862333124	NTXQBHVZVOLOID-QGZVFWFLSA-N	312.404	3.015	10	20	DGCD	
C[C@H]1CSCCN(Cc2cc(F)c(N(C)C)cc2F)C1	862344477	SYEDZCKOWORPNL-LLVKDONJSA-N	300.418	3.216	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc(F)cc(F)c1O)CC1(C)OCCO1	866425260	KQZQORZATNWFNM-GHMZBOCLSA-N	315.360	3.110	10	20	DGCD	
CCc1ccc(CNCc2ccc(OC)c(OC)c2O)s1	892572991	OYDOPMARMICYSA-UHFFFAOYSA-N	307.415	3.323	10	20	DGCD	
COc1ccc(CNC[C@H](SC)C(C)(C)C)c(O)c1OC	893517715	BPJDYOPGCKZARL-ZDUSSCGKSA-N	313.463	3.277	10	20	DGCD	
COc1cc(C)cc(CN(C)[C@H](CCO)c2ccccc2)c1O	894028579	UCBBTWYZBXPQMK-QGZVFWFLSA-N	315.413	3.265	10	20	DGCD	
COc1cc(C)cc(CNCCCCNc2ccccn2)c1O	894226012	NIMDRYOFFMHTRF-UHFFFAOYSA-N	315.417	3.086	10	20	DGCD	
C[C@@H](CCC(=O)O)NCc1ccc(N(C)C)cc1C(F)(F)F	904014472	RVEXTJYFALJSTI-JTQLQIEISA-N	318.339	3.114	10	20	DGCD	
COc1cccc(NC(=S)N(C)Cc2ccccc2O)c1	917581833	ZJGJVJLLTTTXAR-UHFFFAOYSA-N	302.399	3.230	10	20	DGCD	
C[C@@H](CCO)C1(CNCc2ccc3c(c2)CCCO3)CCC1	921968372	LVVRQMNPHFCSOS-HNNXBMFYSA-N	303.446	3.290	10	20	DGCD	
C[C@@H]1CCC[C@@H]1CNCc1ccc(N2CCN(C)CC2)c(F)c1	1321185253	PZWRHAFKVUSIHC-NVXWUHKLSA-N	319.468	3.103	10	20	DGCD	
CCC[C@H]1C[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1323420854	ZOSXNTLMGMAIOD-UWVGGRQHSA-N	323.780	3.410	10	20	DGCD	
c1ccc2c(c1)CCN[C@H]2CNCc1ccc(N2CCCC2)cc1	1327417177	ZMYNAVYTKRSNHX-NRFANRHFSA-N	321.468	3.263	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2nc(C)sc2C)cc1	1328621724	ZVLNNQRVPYSWRG-UHFFFAOYSA-N	319.474	3.337	10	20	DGCD	
CO[C@@H](CNCc1c(O)cccc1Br)C(C)(C)C	1334888631	CMPWMVOUKXTGLP-ZDUSSCGKSA-N	316.239	3.305	10	20	DGCD	
CSC1(CNC(=O)NCc2ccc(N)cc2)CCCCC1	1336949664	CGRMRULRUUBALI-UHFFFAOYSA-N	307.463	3.134	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](C)c2ccc(F)cc2F)c1O	1339604190	JRWZGOWXVJFMJV-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
Nc1ccc(CCNC(=O)c2oc(C3CC3)nc2C(F)F)cc1	1339714939	GAUYKHNBQAQFFY-UHFFFAOYSA-N	321.327	3.044	10	20	DGCD	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NCc1cc(Cl)ccc1O)C(=O)C2	1352325153	LRCJKAHGMYTIFQ-DIFFPNOSSA-N	321.804	3.057	10	20	DGCD	
CN(C)c1ccc(/C=C\CNCc2cccc(C(=O)O)c2)cc1	1598314253	JZPDBTLWGXMTPR-XQRVVYSFSA-N	310.397	3.254	10	20	DGCD	
CSCC1(CCN[C@@H](C)c2cc(C(=O)O)ccc2O)CC1	1607393099	HKCHFRACINKFEU-NSHDSACASA-N	309.431	3.274	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc(C(=O)O)cc2)c(Cl)c1	1607700105	SOPPEUZYEPLWIK-UHFFFAOYSA-N	305.761	3.342	10	20	DGCD	
Cc1cccc(C)c1NC(=S)NNc1cccc(C(=O)O)c1	1610519152	JFEQJFMSOSXJBQ-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
COC[C@@H](O)CCN[C@H](C)c1ccc(N2CCCCCC2)cc1	90952801	UYIANTVNUQJWTQ-APWZRJJASA-N	320.477	3.115	10	20	DGCD	
C[C@H](N)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	110644075	ZSDLWFBIWQJLOS-VIFPVBQESA-N	303.233	3.258	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2OCCc3ccccc32)cc1	115009908	BUAKJCAKRJSRLN-IBGZPJMESA-N	324.424	3.073	10	20	DGCD	
C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1F	120094650	JXVDXUQSZNNVHH-SECBINFHSA-N	308.284	3.429	10	20	DGCD	
CCOCCC1(C(=O)NCc2ccc(N(C)C)cc2)CCCC1	124028304	WHENVFBMQQALLM-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@@H]2c2cnn(C)c2)c(O)c1	131926011	GOWKKAGBIULUFB-QGZVFWFLSA-N	315.417	3.252	10	20	DGCD	
CCN(C)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1	153607807	IZEQFSPFTIGFSY-UHFFFAOYSA-N	310.319	3.372	10	20	DGCD	
O=C(NC[C@@H]1CCCCN1Cc1ccccc1O)c1ccccc1	179566980	OYVTXRWWLFONOU-SFHVURJKSA-N	324.424	3.177	10	20	DGCD	
CCN1CCN(Cc2c[nH]nc2-c2cccnc2)c2ccccc21	180750482	OCLVIDIWJUXXFB-UHFFFAOYSA-N	319.412	3.318	10	20	DGCD	
CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nc(C)cs1	180757255	PHEUJMXYDBZGQO-PZBABLGHSA-N	318.398	3.143	10	20	DGCD	
CCc1ccnc(C(=O)NCc2ccc(N3CCCC3)cc2)c1	181734906	UMCSUYXMNQOJEA-UHFFFAOYSA-N	309.413	3.174	10	20	DGCD	
COCC(C)(C)NCc1ccc(OCc2ccccc2)cc1O	183148239	KRLYAKGIDLVSMY-UHFFFAOYSA-N	315.413	3.486	10	20	DGCD	
CC[C@H]1C[C@H](C(=O)NCc2ccc(N(CC)CC)cc2)CCO1	183211153	PTELHEHZJFVNOO-AEFFLSMTSA-N	318.461	3.354	10	20	DGCD	
CCc1sc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C	183473367	LVRDWMYCMUJXLR-LLVKDONJSA-N	319.426	3.391	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)CCC(=O)O)c(C)n1-c1ccccc1	237419847	NMYJRUYQCHLOPN-GFCCVEGCSA-N	314.385	3.077	10	20	DGCD	
Cc1nonc1CN(C)Cc1ccc(N2CCCCC2)cc1	265673180	YBVPSSGXXTYKTD-UHFFFAOYSA-N	300.406	3.000	10	20	DGCD	
CCn1cc(CN[C@H](C)c2cc(Br)ccc2O)cn1	273498380	POSPFAIMTKTCCQ-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
C[C@H](N[C@@H](C)c1ncn(C)n1)c1ccc(N2CCCCC2)cc1	275789628	XANCGFKWSWPGCP-GJZGRUSLSA-N	313.449	3.217	10	20	DGCD	
Oc1ccccc1CN1CCC(c2ncc3n2CCCC3)CC1	279172320	BYIQQGZBVBCESJ-UHFFFAOYSA-N	311.429	3.305	10	20	DGCD	
COc1cccc(CNCc2cc(Cl)cc(OC)c2O)c1O	289470507	PMBACMMJKAMXIK-UHFFFAOYSA-N	323.776	3.058	10	20	DGCD	
COCCN(Cc1ccc(N(C)C)c(C)c1)Cc1ccccn1	293628083	QWGTUZIPYKMFOP-UHFFFAOYSA-N	313.445	3.105	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1cc(F)ccc1O	316375733	AXVJSTXXJCAWPI-SECBINFHSA-N	302.305	3.035	10	20	DGCD	
CCNC(=O)c1ccc(NCc2cccc(OCC)c2O)cc1	320243968	WXHFSQFREMPXKA-UHFFFAOYSA-N	314.385	3.153	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@]2(C)CCO[C@@H]2C2CC2)c1	368653159	QCJRPDPVRNILDF-RZAIGCCYSA-N	305.418	3.257	10	20	DGCD	
Cc1c(CNC(=O)c2cc(C3CC3)no2)n(C)c2ccccc12	514615747	AHYKBSHGJKFBKQ-UHFFFAOYSA-N	309.369	3.282	10	20	DGCD	
Cc1c(CNc2ccc3c(c2)CCNC3=O)n(C)c2ccccc12	656778051	JYZIMANCKVARMH-UHFFFAOYSA-N	319.408	3.385	10	20	DGCD	
CCC(CC)(CO)CNCc1c(O)cccc1Br	706829121	LGAQIFOXNGBCBI-UHFFFAOYSA-N	316.239	3.043	10	20	DGCD	
O=C(O)Nc1ccc(CCNCc2c(O)cccc2Cl)cc1	740021264	ZSBSXTGDFPPKQD-UHFFFAOYSA-N	320.776	3.468	10	20	DGCD	
C[C@H](NC(=O)N1CC(C)(C)OC[C@@H]1C)c1ccc(N(C)C)cc1	753202914	HDMGRTOXEFNQRH-KBPBESRZSA-N	319.449	3.023	10	20	DGCD	
C[C@@H](NCCSCC(F)(F)F)c1cc([N+](=O)[O-])ccc1O	756780912	ZDIAMVPWDFJXGM-MRVPVSSYSA-N	324.324	3.247	10	20	DGCD	
CCN(Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1OC	768198520	VCGIABQQMBCFJW-UHFFFAOYSA-N	315.369	3.152	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)c1O	775014825	QHWLAWUHTXYGAH-MBNYWOFBSA-N	320.389	3.367	10	20	DGCD	
CCN1C[C@H](C)N(Cc2cc(Cl)cc(F)c2O)C[C@H]1C	775711987	LQQBZMCJWZGNBZ-MNOVXSKESA-N	300.805	3.099	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccc1N(C)C	776165478	RCMWUXTUHJCPNL-JQHSSLGASA-N	302.462	3.354	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cc(Cl)ccc1O	779431906	HSINHZKJUAZGPX-BBRMVZONSA-N	311.809	3.257	10	20	DGCD	
CCOc1ccc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)cc1	779519342	KRAPUORRJRCWGR-WZUFQYTHSA-N	313.353	3.173	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]2CCCC[C@@H]12	782252161	VHVFVTJFGQMIHY-JLSDUUJJSA-N	315.461	3.473	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1F	783727815	FOKGCJVENIDUKS-KRWDZBQOSA-N	308.441	3.265	10	20	DGCD	
O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cc(O)cs1	791033132	WNGZGZKNRGGFHJ-ZDUSSCGKSA-N	316.426	3.100	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@](C)(O)CC2)cc1F	793251237	POOKTBIHYKLFBH-SFHVURJKSA-N	308.441	3.409	10	20	DGCD	
Cc1cccc(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)c1C	793570343	MJFJKTZQXDSHRS-GOSISDBHSA-N	313.397	3.067	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)c(O)c1	794382258	SONYJDYBYKVGAG-UHFFFAOYSA-N	311.381	3.210	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	798089656	OTKFCTZTUQMOCW-LSDHHAIUSA-N	316.788	3.401	10	20	DGCD	
CCc1c(C(=O)N(CC)Cc2ccc(N(C)C)cc2)ccn1C	809987350	WMABCLGBFDQJIC-UHFFFAOYSA-N	313.445	3.316	10	20	DGCD	
Cc1cc(CN(C)CCCn2ccnc2C)ccc1N(C)C	815073809	AUTUKFUDXKWQNC-UHFFFAOYSA-N	300.450	3.088	10	20	DGCD	
Oc1c(CNc2ccc(C3(O)COC3)cc2)ccc2ccccc12	816612836	ZCDLZHPAVTZBGA-UHFFFAOYSA-N	321.376	3.375	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cccnc1Cl	817941937	LUNGQRWIAAOAGU-LRDDRELGSA-N	318.852	3.152	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1c(C2CC2)cnn1C	824484801	VBTHSOQLQSVQTB-UHFFFAOYSA-N	312.461	3.386	10	20	DGCD	
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(OCC)ccc1O	824861172	ITPRCOZLPQPUIY-CVEARBPZSA-N	321.417	3.002	10	20	DGCD	
COc1ccc(O)c(CN[C@H]2C[C@H](c3cccc(OC)c3)C2)c1	825090782	HSFQEVCWMZJPNL-KOMQPUFPSA-N	313.397	3.445	10	20	DGCD	
CC(C)Oc1ncccc1C(=O)N[C@H](C)c1ccccc1O	827946954	VRRHLTHUSNGSPB-GFCCVEGCSA-N	300.358	3.065	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](C(=O)O)C1	829496558	IPKMVEYXNHXWBM-UONOGXRCSA-N	319.401	3.022	10	20	DGCD	
C[C@H](NC(=O)COCC1CCCC1)c1ccc(N(C)C)cc1	836783096	QGEFQEJHFIRTBR-AWEZNQCLSA-N	304.434	3.137	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc2nc(O)n(C)c2c1	840942905	MYWQRYBCQRATSG-UHFFFAOYSA-N	310.401	3.265	10	20	DGCD	
CC[C@H](N[C@@H]1COC[C@H]1OC)c1ccc(Cl)c(Cl)c1O	842912770	VVQHNYBMRWKPMH-QJPTWQEYSA-N	320.216	3.154	10	20	DGCD	
COc1ccc(N(C)Cc2nc([C@@H](C)OCC(C)C)no2)cc1	844353035	OVYURJUUECWQQU-CYBMUJFWSA-N	319.405	3.448	10	20	DGCD	
CCc1cccc(CN[C@@H](C)[C@H](O)c2ccc(F)cc2)c1O	848896496	BQFUMVDHCASCPR-SJCJKPOMSA-N	303.377	3.305	10	20	DGCD	
CCN(CC)c1ccc(CNC(=N)NC2CCCC2)cc1F	849076835	ZOAFDWDJCTUXPI-UHFFFAOYSA-N	306.429	3.228	10	20	DGCD	
CC(=O)[C@@H](C)CCOC(=O)c1cc(C)n(-c2ccccn2)c1C	849680169	OFHRFFGTZFAZCJ-LBPRGKRZSA-N	314.385	3.261	10	20	DGCD	
C[C@H](CC(F)(F)F)NCc1ccc(N2CCC(O)CC2)cc1	850566831	TUMBHMYDBNHKHF-GFCCVEGCSA-N	316.367	3.078	10	20	DGCD	
C[C@H]1C[C@H](N2CCCC2)CN1Cc1cc(F)c(N(C)C)cc1F	862365192	LZHQJFNNZNGKFH-ZFWWWQNUSA-N	323.431	3.089	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnn(CC)c1C	868109864	LYPWXYFPADWSAM-UHFFFAOYSA-N	315.417	3.360	10	20	DGCD	
Cc1nc(CNC(=O)N[C@H](C)c2ccccc2O)sc1C	868323841	CZSRRQAAVRKSHH-SNVBAGLBSA-N	305.403	3.026	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](CC)[C@@H](O)c2ccccc2)c1	873193199	JSOVLRVBOFUYRJ-MJGOQNOKSA-N	315.413	3.393	10	20	DGCD	
Cc1ccc(CNCc2ccc(CN3CCCC3=O)cc2)c(O)c1	876957343	XXKDKIZEIITARI-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
CCOc1cc(CNCc2ccc(C)cc2O)ccc1OC	877035001	BTTOUYFPXGOMGC-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCO[C@H](C(C)C)C2)c1	934940660	SVGHHLGYPGCLOM-DCGLDWPTSA-N	321.417	3.029	10	20	DGCD	
c1ccc(-n2cnc(NCc3ccc(N4CCCC4)cc3)n2)cc1	1256047624	CECGYHCKCNRYRQ-UHFFFAOYSA-N	319.412	3.480	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3C[C@@H]4CCCC[C@@H]43)ccc21	1333721262	GVQYSNYPCGPHDJ-WMZOPIPTSA-N	313.445	3.153	10	20	DGCD	
CC[C@H](NCc1ccc(OC)c(OC)c1O)c1nc(C)cs1	1334169429	BTRBBYTUMIMPIJ-LBPRGKRZSA-N	322.430	3.415	10	20	DGCD	
COc1cc([C@H](C)NCCCSc2nccs2)ccn1	1349839615	MDTJNLPERWWOAJ-NSHDSACASA-N	309.460	3.380	10	20	DGCD	
COc1ccc(CN2CC[C@@H]3CCCC[C@H]3C2)c(O)c1OC	1351948521	MWYCGVVEMFCRQO-KBPBESRZSA-N	305.418	3.422	10	20	DGCD	
N[C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@H]1c1ccccc1F	1580395250	KXDWAWZEAKKRNG-GOEBONIOSA-N	320.795	3.111	10	20	DGCD	
Nc1ccc(CC(=O)Oc2cccc(Br)c2)cc1	1580443334	YDGMZGSNXGKSQX-UHFFFAOYSA-N	306.159	3.179	10	20	DGCD	
CC[C@H](C)[C@@H](CC(=O)O)NCc1ccc2c(c1)CCCN2CC	1776953987	BQDMNCFJBZRNPK-WMLDXEAASA-N	318.461	3.438	10	20	DGCD	
Cc1ccc(C)c(NC(=S)NNc2ccc(C(=O)O)cc2)c1	7521972	MXLDZVZOWVZFCD-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
Cc1cc(C)cc(CCNC(=O)N(C)Cc2ccccc2O)c1	77874445	SKLPCKMMNITGAG-UHFFFAOYSA-N	312.413	3.393	10	20	DGCD	
Cc1nc(C)c([C@H](C)N(C)Cc2cc3c(cc2O)OCO3)s1	93275637	YZGVMUGMCCKORE-JTQLQIEISA-N	320.414	3.387	10	20	DGCD	
COc1cccc(CNC(=O)C[C@@H](C)c2ccc(F)cc2)c1O	105650153	VYMPMLBRZOLHBM-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2cc(F)ccc2F)cc1F	121824736	UWSDWERAQOEHBJ-UHFFFAOYSA-N	324.302	3.187	10	20	DGCD	
CN(C)c1ccc(CN2CCCC[C@@H]2c2ncc[nH]2)cc1F	125274486	UVRYPFZWZFETTR-MRXNPFEDSA-N	302.397	3.342	10	20	DGCD	
C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1	125757646	HJKMTVUVNITIID-JSGCOSHPSA-N	315.383	3.040	10	20	DGCD	
CC[C@H](CCO)CNC(=O)c1cc(C)n(-c2ccccc2)c1C	128082532	MNXTUOWEBLJHHY-MRXNPFEDSA-N	314.429	3.233	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2)CC1	170974854	ILYRNGGWDMODTK-SFHVURJKSA-N	316.445	3.108	10	20	DGCD	
CN(Cc1ccccc1O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	172798545	OAYKLLPDYULSHM-AWEZNQCLSA-N	320.433	3.081	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]12CCc1ccccc12	175507396	APTAPWISFQDQSR-FXAWDEMLSA-N	307.393	3.255	10	20	DGCD	
COc1cc(O)c(CN2Cc3ccccc3C[C@H]2C)cc1OC	179445039	GMMHCVTZOFTGQL-CYBMUJFWSA-N	313.397	3.356	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(OCCF)c2)c(O)c1O	182609983	HVPOVXDOGNHUEF-UHFFFAOYSA-N	305.305	3.007	10	20	DGCD	
Cc1cc2c(cc1NC(=O)N(C)Cc1ccccc1O)OCO2	183785831	SLQPLTSIMFACJT-UHFFFAOYSA-N	314.341	3.093	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(OC(C)C)nc2)c1	185046112	SVABRTOOKGPXJV-ZDUSSCGKSA-N	316.401	3.434	10	20	DGCD	
COc1cc(F)cc(CN[C@H](C)c2cc(OC)ccc2O)c1	186216656	XRWIHVDYWNTHSG-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
COC(=O)[C@H](NCc1cc(C)ccc1O)c1cc(C)cc(C)c1	189635857	TXGKJODUVNFPFF-GOSISDBHSA-N	313.397	3.321	10	20	DGCD	
CC[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1O	280075814	LKXARXHEJIOJJL-RDJZCZTQSA-N	311.429	3.415	10	20	DGCD	
COC(=O)Nc1cccc(CNCc2ccc(N(C)C)cc2)c1	285655615	YQTILKWYZNYQSZ-UHFFFAOYSA-N	313.401	3.221	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@@H](CC)c1cccc(Cl)c1O	287687587	MYPZPNFQZKPCAP-FZMZJTMJSA-N	312.841	3.391	10	20	DGCD	
Cc1c(CNc2nnc([C@H]3CCCO3)o2)n(C)c2ccccc12	287703517	MZHBGYQFWPURAK-OAHLLOKOSA-N	312.373	3.333	10	20	DGCD	
C[C@H](Sc1nccs1)C(=O)N(C)Cc1cccc(F)c1	299076770	ZDOBACKIHHHDLC-JTQLQIEISA-N	310.419	3.421	10	20	DGCD	
CCC(CC)(CNCc1cccc(Br)c1O)OC	311044091	PLHCQTYVPIYAKA-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
CC(C)CC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1	441078050	ICIJOCVRERARNZ-UHFFFAOYSA-N	302.418	3.304	10	20	DGCD	
COc1ccc(CC(=O)NCc2c(C)c3ccccc3n2C)cc1	471223781	UOLYDPHBZSWBJI-UHFFFAOYSA-N	322.408	3.354	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H]1C[C@H]2CC[C@H]1C2	588404877	VJUFPNWMMBXVOX-AVXQODPOSA-N	301.386	3.054	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)c1	728985628	ZFMROJKBXZYDLH-LLVKDONJSA-N	319.788	3.474	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc3ccccc3c2O)c1	734018684	CAFSOLXNXUSZGH-UHFFFAOYSA-N	323.348	3.190	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cc(Cl)cc(C(=O)O)c1	739448135	PNTLLUSVRPDCOM-UHFFFAOYSA-N	320.732	3.066	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H](c1ccccc1)C(F)(F)F	748458666	AHZXKRQQUBSJJD-CQSZACIVSA-N	324.302	3.495	10	20	DGCD	
Cc1cccc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O	763453375	RLOGVCJDRKHPLY-MJGOQNOKSA-N	315.388	3.096	10	20	DGCD	
C[C@H]1CCc2ccccc2N1Cc1cc2c(cc1O)OC[C@H]2O	768462119	JPPFFUAGPOINJF-KPZWWZAWSA-N	311.381	3.159	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2nccn2-c2ccccc2)c1	769787708	RQFXAJHOFSMLQI-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
CC(C)C(NC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C	770366191	GPNXCHUQOKMGMC-UHFFFAOYSA-N	309.429	3.372	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1nn2cc(C)nc2s1	770473650	XOPSPLTYPNAAIJ-UHFFFAOYSA-N	315.446	3.192	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1	773426793	HEVRFEQRKGLJLL-GOSISDBHSA-N	318.461	3.308	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(O)c(C)c2)cc1	779497948	DROKBVKHWMBPNL-UHFFFAOYSA-N	312.413	3.477	10	20	DGCD	
CCOCOc1ccc(CNCc2ccc3c(c2)CCO3)cc1	782955590	IPYYOQKYBOPXIA-UHFFFAOYSA-N	313.397	3.284	10	20	DGCD	
C[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)CC(C)(C)C	783063931	VZOAIOLOATWQGO-NSHDSACASA-N	308.374	3.286	10	20	DGCD	
c1cc(N2CCSCC2)ccc1CNC[C@@H]1CCSC1	785426721	RNACQLMBRRCDDI-HNNXBMFYSA-N	308.516	3.083	10	20	DGCD	
COC(C)(C)CC(=O)N(Cc1ccco1)Cc1ccccc1O	787428491	XJYTYAZPMAOJDO-UHFFFAOYSA-N	317.385	3.329	10	20	DGCD	
CC(C)[C@H](CN[C@@H](C)c1ccc(F)cc1O)c1ccnn1C	788260118	TXPRAEMNUFDNDA-WFASDCNBSA-N	305.397	3.355	10	20	DGCD	
COc1ccc(CNC(=O)NCC2(C)CCCCC2)c(O)c1	792996433	FEBDSSKLIDILMC-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ccc3ccn(C)c(=O)c3c2)c1	793562730	BCHHDJXVUXSDSL-GFCCVEGCSA-N	324.380	3.426	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2Cc3ccc(F)cc32)c1	793690006	RNOHJEXRLQQBLE-QFYYESIMSA-N	315.344	3.057	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1-n1ccnn1	796740233	YTMZZJFXXUHSCW-AWEZNQCLSA-N	320.396	3.053	10	20	DGCD	
CC[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1O	796860691	XPLZWVJXXMHERI-CYBMUJFWSA-N	316.332	3.425	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@H]1CCCSC1)c1ccc(N(C)C)cc1	807141359	RTRISJMNAXXUMW-KGLIPLIRSA-N	321.490	3.256	10	20	DGCD	
COc1cccc(CNC/C=C\c2ccc(F)c(F)c2)c1O	809741348	NHXUGDJWPQTZKE-ARJAWSKDSA-N	305.324	3.482	10	20	DGCD	
CCOC(=O)c1ccc(CNCc2cc(C)c(C)cc2O)o1	809743088	LFCBYHNNDCJQFV-UHFFFAOYSA-N	303.358	3.069	10	20	DGCD	
CSC1(CN[C@@H](C)c2ccc(F)cc2O)CCN(C)CC1	810252273	MWPCSTKFGPUWIL-LBPRGKRZSA-N	312.454	3.009	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CC[C@@H]3CNC[C@@H]3C2)cc1	817984836	ASAYBCAGRJAFQQ-XOYOTBSWSA-N	301.478	3.181	10	20	DGCD	
COC(=O)c1cnc(SCCOc2ccc(C)cc2)s1	829692017	GWHGNYQLTJXVPE-UHFFFAOYSA-N	309.412	3.409	10	20	DGCD	
C[C@H]1CC[C@@H](CNCc2ccc(N(C)C)cc2C(F)(F)F)O1	835085980	DCBLMBKEYLNRNJ-FZMZJTMJSA-N	316.367	3.429	10	20	DGCD	
COc1ccc([C@@H](CO)CN[C@@H](C)c2cc(C)ccc2O)cc1	840808363	KAXWRCZCKLLSHA-GOEBONIOSA-N	315.413	3.136	10	20	DGCD	
NCCc1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1	841036197	PLWPXOURVYCIEE-UHFFFAOYSA-N	323.484	3.468	10	20	DGCD	
COc1ccc(O)c(CN2C[C@H](C)NCc3ccc(F)cc32)c1	841047334	NGMSJHSLYGUULX-LBPRGKRZSA-N	316.376	3.038	10	20	DGCD	
Nc1ccc(NC(=O)NCCCCCN2CCCCC2)cc1	841300580	SFVMBQQSNWDNMI-UHFFFAOYSA-N	304.438	3.047	10	20	DGCD	
C[C@H](NCCCOC[C@@H]1CCCO1)c1ccc(Cl)cc1O	841745350	YFOBSPMWRZPJGV-JSGCOSHPSA-N	313.825	3.282	10	20	DGCD	
CCCNC(=O)c1ccc(NCc2cccc(OC)c2O)cc1	842214678	OGAVNDGHRYTVCM-UHFFFAOYSA-N	314.385	3.153	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1	844853741	DMVYMEXGSLENIT-PIIMJCKOSA-N	316.445	3.026	10	20	DGCD	
COc1cccc([C@H](C)NCC2([C@@H](C)CCO)CCC2)c1O	846157569	FMTCTYLQIZJUTG-KBPBESRZSA-N	307.434	3.240	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@H]1CCCN(CC2CC2)C1	853093795	RJJBDHJJTLUURJ-CQSZACIVSA-N	308.853	3.257	10	20	DGCD	
CC[C@@H](C)Oc1cc(NCc2cccc(OC)c2O)nc(C)n1	858387317	DZGAIXHMCFXGTM-LLVKDONJSA-N	317.389	3.289	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCc2nc(C3CC3)ncc2C1	862508739	XUGJXKSDQXSZKK-UHFFFAOYSA-N	322.456	3.287	10	20	DGCD	
COc1cc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)sn1	877592265	NCXAPHOQBDLEJT-CYBMUJFWSA-N	319.474	3.247	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	883076300	ZJFLPMLJBJPHRV-MAZHCROVSA-N	309.356	3.108	10	20	DGCD	
CCC[C@@H](CC)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	886749373	RDVPTILMVFZGJX-QGZVFWFLSA-N	317.477	3.057	10	20	DGCD	
COc1cc(C)cc(CNCc2ccc3c(n2)CCCC3)c1O	894572582	JSDQGCALETWEED-UHFFFAOYSA-N	312.413	3.273	10	20	DGCD	
CCC(CC)[C@H](C)C(=O)NCCNCc1ccc(OC)c(C)c1	1130573776	ZBYDMYLGOZLJEM-HNNXBMFYSA-N	320.477	3.282	10	20	DGCD	
CCC[C@@H](C(=O)NCCNCc1ccc(OC)c(C)c1)C(C)C	1134567446	XSJRSJKGGXKCAT-QGZVFWFLSA-N	320.477	3.282	10	20	DGCD	
Nc1ccc(CC(=O)NC2(Cc3ccccc3)CCCC2)cc1	1346180119	XTHHVIRZCDOYKH-UHFFFAOYSA-N	308.425	3.483	10	20	DGCD	
CC[C@H](C)n1nccc1C(=O)Nc1c(Cl)ccc2nonc12	1349605904	QXBOMADCNMGVJJ-QMMMGPOBSA-N	319.752	3.296	10	20	DGCD	
CC(C)C1CCN(c2nnc(-c3sccc3O)n2C)CC1	1355344541	MPCFSLFYKYSYQN-UHFFFAOYSA-N	306.435	3.122	10	20	DGCD	
CC1C[C@@H]2CC[C@H](C1)N2c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1594293564	WIDCKYCQEYNAST-KRUWGJBBSA-N	316.357	3.460	10	20	DGCD	
Cc1ccc(CN[C@@H](C)[C@@H](Cc2ccccc2)C(=O)O)c(O)c1	1600419872	QLTGRVVSDVALJB-WMLDXEAASA-N	313.397	3.122	10	20	DGCD	
COc1ccc(N(C)CCOc2ccc(F)cc2)cc1OC	63616790	KQGHNAHWZIKLIG-UHFFFAOYSA-N	305.349	3.358	10	20	DGCD	
C[C@H](c1ccncc1)N(C)Cc1ccc(N2CCOCC2)cc1	173479550	LRBGLUOBMIZUPY-MRXNPFEDSA-N	311.429	3.111	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1O	170788857	KITUQPOQTODPKT-NSHDSACASA-N	303.333	3.153	10	20	DGCD	
COC1(C(=O)NCCCSc2nccs2)CCCCC1	186213540	NVUUGAWZXNORRF-UHFFFAOYSA-N	314.476	3.091	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)cn1	181855804	QLXAYKDTRVTMLK-UHFFFAOYSA-N	303.337	3.370	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)c2nc(C3CC3)no2)c1	182345788	ORZIKWFKTQTREK-UWVGGRQHSA-N	303.362	3.073	10	20	DGCD	
Cc1nnc(CN(C)c2ccc(OCc3ccccc3)cc2)n1C	189646240	UMTKAYLNKWCLQP-UHFFFAOYSA-N	322.412	3.339	10	20	DGCD	
COc1cccc(CNCCCN(C)Cc2ccccc2)c1O	74314569	VEMUDSGXRFEUDV-UHFFFAOYSA-N	314.429	3.013	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCN1CCCCC1=O	180496336	IKZSITDUEDDCBA-UHFFFAOYSA-N	301.415	3.149	10	20	DGCD	
CSc1cc(C)ccc1CNC(=O)c1cccc(O)c1O	193131932	MYBYHBZHTJYLDO-UHFFFAOYSA-N	303.383	3.058	10	20	DGCD	
CN(C)[C@H](CNCc1c(O)cccc1Cl)c1ccccc1	83551419	IYWACTWWRAOPIX-MRXNPFEDSA-N	304.821	3.438	10	20	DGCD	
CCCSCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	264679475	KQELHAXIIATJLU-OAHLLOKOSA-N	323.458	3.043	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1csc([N+](=O)[O-])c1	264073180	LKZIKOOEJVMQFW-UHFFFAOYSA-N	320.370	3.414	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCCCCCN)cc1F	269279659	ZVFBVENMTUFVPY-UHFFFAOYSA-N	323.456	3.197	10	20	DGCD	
C[C@H](N[C@H](C)Cn1cccn1)c1cc(Br)ccc1O	273545498	ZHSJGCKUEKWUSO-MNOVXSKESA-N	324.222	3.091	10	20	DGCD	
CC[C@H](NCCCNC(=O)C1CCC1)c1ccc(C)cc1O	280151540	QFTWDFZSIYGIBR-INIZCTEOSA-N	304.434	3.048	10	20	DGCD	
CC[C@H](N[C@H](C)CO[C@@H]1CCOC1)c1cccc(Cl)c1O	287577870	HDPDGSGDIAVFOY-JMSVASOKSA-N	313.825	3.280	10	20	DGCD	
CCOc1cccc(CN2CCCCC[C@H]2C[C@H](C)O)c1O	289814578	SZPQCVHWADAXMK-HOCLYGCPSA-N	307.434	3.306	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)c(OC)n1	290275065	WOGQLSPHPMLFPJ-CYBMUJFWSA-N	316.401	3.272	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2[C@H]3CCC[C@H]2CC3)c([N+](=O)[O-])c1	380588413	MYEPNSYATDEWIK-MBMDQQRISA-N	302.330	3.214	10	20	DGCD	
CC[C@H](NCc1cc(Br)cc(C)c1O)C(C)(C)O	293659191	NQSDMBHBDNKESB-LBPRGKRZSA-N	316.239	3.102	10	20	DGCD	
Cc1cc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cn2c1	806317451	IIGCJGOJCBHYHX-UHFFFAOYSA-N	307.397	3.244	10	20	DGCD	
CO[C@H]1CC[C@@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1	800462482	GUQNKADKTFXQDX-LSDHHAIUSA-N	314.385	3.213	10	20	DGCD	
C[C@H](NC[C@H]1CCCCN1)c1cccc(C(F)(F)F)c1O	817948882	FDHANRQFOUPTRQ-WDEREUQCSA-N	302.340	3.204	10	20	DGCD	
CC[C@H](C)CONC(=O)N(CC)Cc1ccc(N(C)C)cc1	813827117	SSILEIRUJLLQRH-AWEZNQCLSA-N	307.438	3.262	10	20	DGCD	
CCCN(CC)C[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1O	810262306	OJCSKVUDFYVQDN-VXGBXAGGSA-N	300.393	3.441	10	20	DGCD	
CCc1cccnc1[C@@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817942458	OYBROFNUUJBTON-KDOFPFPSSA-N	312.461	3.061	10	20	DGCD	
CCc1ccc([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)o1	817942354	OLBGSHGSGHARGM-CXAGYDPISA-N	301.434	3.259	10	20	DGCD	
COCc1nc(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)cs1	810253655	ZONXRIMDJFNDKR-BXKDBHETSA-N	322.405	3.472	10	20	DGCD	
COC[C@H](C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	812461126	HQNCZOABJGSDDG-LSDHHAIUSA-N	318.461	3.162	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](Cc1ccccc1)[C@@H](C)N	817894843	QRVZSFSHBSGROH-UZLBHIALSA-N	311.473	3.109	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@H](C(=O)O)C2)cc1F	819161239	CVRBTNNHDLGSGV-UONOGXRCSA-N	308.397	3.015	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccc(C(=O)O)[nH]1	833496320	GJJFVFCUIAVJQA-UHFFFAOYSA-N	315.417	3.190	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2cc(F)cc(C(C)=O)c2O)C12CCC2	831307547	CMIORVPUOCLQNW-CVEARBPZSA-N	321.392	3.171	10	20	DGCD	
CC(C)N1C[C@@H](NCc2cc(-c3ccccc3)ccc2O)CC1=O	738438742	BPLXDZDKXPGRAZ-SFHVURJKSA-N	324.424	3.158	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](F)C(F)(F)F	839922242	SJTGRBODORAACP-MFKMUULPSA-N	320.330	3.009	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccoc1C	839917044	YHLKQECZKJQDDM-ZDUSSCGKSA-N	300.402	3.323	10	20	DGCD	
CCC[C@H](NC(=O)NCc1ccc(OC)cc1O)C(C)(C)C	836577363	WVBPAACFJCREFL-HNNXBMFYSA-N	308.422	3.415	10	20	DGCD	
CO[C@@H](CNC(=O)c1cc(O)cs1)c1ccc(Cl)cc1	743678561	LZIISGLEGDDGSK-LBPRGKRZSA-N	311.790	3.225	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)cc1	915925389	MPKDPTMJNAYSHN-YESZJQIVSA-N	315.461	3.378	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H]1C	840122424	DBUFXZRWMOELNA-LRDDRELGSA-N	307.434	3.252	10	20	DGCD	
C[C@@H]1C[C@@H](CN(C)Cc2ccc(N3CCCCC3)cc2)CCN1	841003263	PDVJFGZHKCAUQH-MJGOQNOKSA-N	315.505	3.497	10	20	DGCD	
Cc1ccc(O)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1	915083701	DVYVUIZIPDDTAB-UHFFFAOYSA-N	310.397	3.231	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc(N(C)C)cc1C)c1cccs1	840942258	WZLLARBLCYNILB-INIZCTEOSA-N	318.442	3.126	10	20	DGCD	
O=C(CCCOc1ccccc1F)NCc1ccccc1O	748345900	QXFQKJMGEPSBER-UHFFFAOYSA-N	303.333	3.007	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccc(OC)cc1O)[C@H]1CC1(C)C	841594101	PSVFOACLQULIRF-ZIAGYGMSSA-N	306.406	3.025	10	20	DGCD	
C[C@H]1CCN(CCNCc2cc(-c3ccccc3)ccc2O)C1	744450210	WNCAQIIFVZGKFR-INIZCTEOSA-N	310.441	3.491	10	20	DGCD	
CC(C)NC(=O)NCCSc1ncc(C(C)(C)C)s1	842567967	BZKFEBAEQKGVEZ-UHFFFAOYSA-N	301.481	3.240	10	20	DGCD	
CCS[C@H]1CC[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)C1	841960636	URUUAIDQNIJYAM-CVEARBPZSA-N	321.490	3.127	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1O	846157464	CDYYBCPZSQXPJQ-XYZKALLWSA-N	303.402	3.009	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1O	846157461	CDYYBCPZSQXPJQ-BHADISHBSA-N	303.402	3.009	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H]2C)cc1	752004358	GGCJCDVSXGISNH-HUUCEWRRSA-N	303.450	3.473	10	20	DGCD	
Cc1ccc([C@@H](C)NC2CN(C(=O)OC(C)(C)C)C2)c(O)c1C	756649985	SVAIDIQYKHNZLX-CYBMUJFWSA-N	320.433	3.279	10	20	DGCD	
CC[C@]1(C(=O)O)CCCN(Cc2ccc(N(C)C)c(C)c2)C1	923474153	WMFLDBTVXWERCX-SFHVURJKSA-N	304.434	3.138	10	20	DGCD	
CO[C@H]1C[C@H](N[C@@H](C)c2cc(Br)cc(F)c2O)C1	858584291	PIRFYVHPSTWNBJ-HGNGGELXSA-N	318.186	3.122	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@@H](C3CCOCC3)C2)cc1F	862250521	PZLUTWJBUHSGLF-CQSZACIVSA-N	324.415	3.279	10	20	DGCD	
CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)cc(F)c1O	768265335	CJNWGHCUQKMMMT-AWEZNQCLSA-N	306.724	3.063	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc(Br)cn2)cc1C	865811866	YTCFPRFBVFOXSZ-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1	932944595	YFCZNJUWXGGZSM-CRAIPNDOSA-N	318.461	3.128	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1O	868483618	ZIJIXZMTYLGBCH-BXUZGUMPSA-N	306.406	3.099	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@H]1C[C@@H](OCC)[C@@]12CCCO2	877478524	NLAZPXFGYXVDEP-IPMKNSEASA-N	318.461	3.088	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(Cl)nnc1O	872572944	QTTCFHDFQFZPRG-LLVKDONJSA-N	320.824	3.253	10	20	DGCD	
CCOc1ccc(CN[C@H](CC)[C@H](O)c2ccccc2)c(O)c1	873194991	XJYUTFXHRKYDSB-IEBWSBKVSA-N	315.413	3.393	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1ccccn1)c1ccc(N(C)C)cc1	776237809	ISQLPCXCPWFEMY-CQSZACIVSA-N	312.417	3.050	10	20	DGCD	
CC[C@@H](NCC(=O)N(CC)c1ccccc1)c1ccccc1O	775412782	QIRZLYGOIKCNEL-QGZVFWFLSA-N	312.413	3.486	10	20	DGCD	
CCCOc1ccc(CNCC2CCN(C(C)=O)CC2)cc1C	873046896	UFTWBNKLTSRSFQ-UHFFFAOYSA-N	318.461	3.132	10	20	DGCD	
CN(C)c1ccc(CNCCCCC(=O)OC(C)(C)C)cc1	773427423	LKOBZOJDRAHAFL-UHFFFAOYSA-N	306.450	3.354	10	20	DGCD	
COc1ccc(N(Cc2ccccc2)Cc2cn(C)nn2)cc1	772598997	KTNMCPKQVJSGHR-UHFFFAOYSA-N	308.385	3.031	10	20	DGCD	
O=C(NC1(Cc2ccccc2)CCCC1)c1cccc(O)c1O	779650101	UYCGSPIBSPAZNO-UHFFFAOYSA-N	311.381	3.383	10	20	DGCD	
Cc1ccc(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])c(O)c1O	783345054	QCPIIHVXFKNKHH-JTQLQIEISA-N	317.297	3.232	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)C[C@H](C)O)c(C)n1-c1ccc(F)cc1	783631580	PYPLRKMJNFWPQV-AAEUAGOBSA-N	318.392	3.122	10	20	DGCD	
COC(=O)c1ccccc1CN(C)c1ccc(OC)c(F)c1	780779544	KZVCDAPPRGUBFU-UHFFFAOYSA-N	303.333	3.257	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cc(C)ccc2F)c(O)c1	794759706	GEDAZBJXTFYYQB-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CC[C@@H](NCCc1cn2c(n1)SCC2)c1ccc(F)cc1O	796944329	WBKFHZDJHQHSRO-CQSZACIVSA-N	321.421	3.117	10	20	DGCD	
CC[C@@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1O	796841345	SDYRSYRVOVXJRB-MJGOQNOKSA-N	315.388	3.406	10	20	DGCD	
CCN(C(=O)OC(C)(C)C)[C@H](C)CNCc1cccc(C)c1O	387546066	QSQWQBZNKNBICO-CQSZACIVSA-N	322.449	3.436	10	20	DGCD	
O=[N+]([O-])c1ccc(-c2nnc(C3=S=C4CCCC4=C3)o2)cc1	1326184538	ZPNBWHSEYPNQPU-UHFFFAOYSA-N	313.338	3.195	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1cncs1	1346776535	PILLTENXNDDOME-UHFFFAOYSA-N	304.415	3.220	10	20	DGCD	
c1ccn(-c2ccc(-c3nc([C@@H]4CN5CCC4CC5)no3)cc2)c1	1342544107	FHTLGBRQSCCTJD-QGZVFWFLSA-N	320.396	3.337	10	20	DGCD	
Cc1ccc(C(=O)O)c2c1CCCN2C(=O)/C=C/c1cccnc1	1607740638	QBWSQUDEYHKPOI-VQHVLOKHSA-N	322.364	3.081	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@](CC)(C(=O)O)C2)cc1	1589714726	DDKZBUARZLRJHF-SFHVURJKSA-N	304.434	3.220	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)CC(C)(C)CC(=O)O)c1	1599598283	KKKNBHDZBSUPNJ-RYUDHWBXSA-N	309.406	3.331	10	20	DGCD	
O=C(O)[C@H]1CCN(Cc2ccc(F)c(F)c2O)c2ccccc21	1594933695	HLZZYVXDBZKVBZ-LBPRGKRZSA-N	319.307	3.249	10	20	DGCD	
CN(C)c1ccc([C@H](CNC(=O)C2CCCCC2)N(C)C)cc1	11025619	SQRZODWBNJBEQS-SFHVURJKSA-N	317.477	3.052	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N(C)c2ccccc2N(C)C)s1	153129118	ZGNMAWJWKZLVQN-MDZDMXLPSA-N	301.415	3.194	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[C@H](C(F)(F)F)C1	159005479	BRKQTIBWPQBOFZ-QWRGUYRKSA-N	317.307	3.083	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@@H]2CCC[C@H]2C1	176485985	VSZMBFDAYQYZAW-IRXDYDNUSA-N	313.445	3.228	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(NC(N)=O)cc1)c1ccc(F)cc1O	170789485	ROZCOMNOGGVIFA-MNOVXSKESA-N	317.364	3.434	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1csc([N+](=O)[O-])c1	56492806	XPLVNHOZDJBNAM-UHFFFAOYSA-N	305.403	3.354	10	20	DGCD	
COCCOc1ccc(CNCc2cc(C)ccc2O)cc1	113321388	KPFDWTSZHPZFTC-UHFFFAOYSA-N	301.386	3.016	10	20	DGCD	
C[C@@H](N(C)C(=O)NCc1ccc(N2CC=CC2)cc1)C1(C)CC1	176541974	SWQBBLVMGLKYAH-OAHLLOKOSA-N	313.445	3.393	10	20	DGCD	
Cc1csc(NC(=O)NCCCSc2nccs2)n1	115633150	DXYNWTNUEDQMJN-UHFFFAOYSA-N	314.461	3.212	10	20	DGCD	
Cc1cc(C(=O)N(C)C[C@H]2CCOC2)c(C)n1-c1ccccc1	177226584	ZGHWQERGSLOSII-MRXNPFEDSA-N	312.413	3.203	10	20	DGCD	
CCC[C@@](C)(NCc1ccc(N2CCCCC2)cc1)C(=O)OC	184048072	SJDVTNCCJBGZCS-LJQANCHMSA-N	318.461	3.498	10	20	DGCD	
CC(C)C(=O)NCCN[C@@H](C)c1ccc(Cl)c(Cl)c1O	184869597	MPOSKZIAHQPYFR-VIFPVBQESA-N	319.232	3.122	10	20	DGCD	
C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(Cl)c(Cl)c1O	185831039	HEYRDFHRTPGKHM-KXUCPTDWSA-N	302.201	3.287	10	20	DGCD	
c1ccc2c(c1)CC[C@H]2NCc1ccc(N2CCOCC2)cc1	73052567	FXJPHEGAXUCUAG-HXUWFJFHSA-N	308.425	3.300	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1Cc1ccccc1	180616949	OZAWMFWDQPVFHE-QXLXQBSBSA-N	323.392	3.345	10	20	DGCD	
Cc1cccc(CNC[C@@H]2COC3(CCCCCC3)O2)c1O	181014932	GQNZVYGQJQMFFD-MRXNPFEDSA-N	305.418	3.256	10	20	DGCD	
CSCC[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	77997906	HNPFAYVXBVMZDZ-CYBMUJFWSA-N	321.490	3.010	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccccc1	183485931	AOJLXXCDIRAMHO-CQSZACIVSA-N	313.397	3.168	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)C1CCOCC1	92254416	ORDZQCVCHQRGML-UHFFFAOYSA-N	316.426	3.175	10	20	DGCD	
Cc1nc2sccn2c1CN(C)Cc1ccc(N(C)C)cc1	269344866	HVJZTFNUCVKOJF-UHFFFAOYSA-N	314.458	3.402	10	20	DGCD	
COCCCCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	267539779	ASTQCKOPKJTJQQ-UHFFFAOYSA-N	324.384	3.152	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(Br)ccc1O)c1cnn(C)c1	273578030	MCZIFSZRZKGJKO-VHSXEESVSA-N	324.222	3.300	10	20	DGCD	
C[C@@H](C[S@@](C)=O)N(C)Cc1cc(-c2ccccc2)ccc1O	275300889	QLWUCNARZNWHGD-RCDICMHDSA-N	317.454	3.258	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H](O)c1cccc(F)c1)c1cc(F)ccc1O	273533270	WUXVQHMWWYFPGO-PSVSLLHZSA-N	307.340	3.443	10	20	DGCD	
CN(C)c1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1F	275959126	JZXLVGJGOSFQNO-SFHVURJKSA-N	306.425	3.283	10	20	DGCD	
C[C@H](NCCCc1nccs1)c1cc([N+](=O)[O-])ccc1O	273449201	FPIXIKKEESZRNO-JTQLQIEISA-N	307.375	3.040	10	20	DGCD	
CC[C@H](NCc1nnc2n1CCCCC2)c1ccc(F)cc1O	285580820	INCZLCLZKULTMT-AWEZNQCLSA-N	318.396	3.090	10	20	DGCD	
CCCOc1ccc(CNc2cc(CCOC)ccn2)c(O)c1	285291828	SZBNOSOEPBQGDF-UHFFFAOYSA-N	316.401	3.377	10	20	DGCD	
C[C@](O)(CN[C@H]1CCc2cccc(O)c21)c1ccc(F)cc1	296877235	OBRHNVPBDITBLP-YJBOKZPZSA-N	301.361	3.016	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCc1noc2c1CCCC2	809783904	GCUUTBXTDQUGHF-UHFFFAOYSA-N	310.756	3.341	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCc1cncs1	815797539	TYNPNBNYUHYBMT-UHFFFAOYSA-N	304.415	3.220	10	20	DGCD	
Cc1cc(NC(=O)c2cccc(O)c2O)nn1C1CCCCC1	812302592	WCUUVZAEYALMHX-UHFFFAOYSA-N	315.373	3.360	10	20	DGCD	
CC(C)Oc1cncc(C(=O)N[C@H](C)c2ccccc2O)c1	827940344	BCOBGTYCDLNLRI-GFCCVEGCSA-N	300.358	3.065	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCCc2c(F)cc(F)cc21	729357966	AQKCAWYNBFNDTF-ONEGZZNKSA-N	318.298	3.492	10	20	DGCD	
CC[C@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(N(C)C)cc1	903062826	XPEPAWJOHXAIOO-DLBZAZTESA-N	315.465	3.319	10	20	DGCD	
CC[C@H](SC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839920081	KKOUUYJOKDPTEQ-CJNGLKHVSA-N	308.491	3.250	10	20	DGCD	
CCN(CC)c1ccc(CN[C@](C)(CC)CC(=O)O)cc1F	901790986	LBLYYHCVOJWMNZ-QGZVFWFLSA-N	310.413	3.405	10	20	DGCD	
CCS(=O)(=O)CC(=O)c1cc(C)n(-c2ccccc2C)c1C	917647335	HUACKXHOYAFWAK-UHFFFAOYSA-N	319.426	3.020	10	20	DGCD	
CCc1cccc(CN[C@@H]2COc3c(cccc3OC)C2)c1O	848895251	KVOJNDRUKMEUAZ-INIZCTEOSA-N	313.397	3.057	10	20	DGCD	
CC[C@@H](NCc1cccc(Br)c1O)[C@H](O)C(C)C	840966465	FYGVANRZJIEZPT-CHWSQXEVSA-N	316.239	3.040	10	20	DGCD	
CC(C)(C)Oc1ccc(C(=O)NCc2ccc(O)cc2O)cc1	910951317	RSXASVBUOKWXHC-UHFFFAOYSA-N	315.369	3.205	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1F	840958224	OAZWMDABKJDGAZ-APWZRJJASA-N	314.404	3.200	10	20	DGCD	
CCc1ncc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)cn1	840977175	UFPPKRQAMDADSX-OAHLLOKOSA-N	312.461	3.134	10	20	DGCD	
COc1cccc([C@H](C)NCc2c(OC)cccc2OC)c1O	850505208	PCTOVJJYLHQFDU-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
CCN1CCC(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)CC1	756534670	MFWRXWQTFWGWIN-WFASDCNBSA-N	306.425	3.401	10	20	DGCD	
COc1cc(CNC[C@H]2CC[C@H](C)O2)c(O)c(C(C)(C)C)c1	850320490	JXGVGKJBBPHLMJ-GXTWGEPZSA-N	307.434	3.355	10	20	DGCD	
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)c1cc(O)cs1	855389721	BGFIKUWKAFMUGK-NSHDSACASA-N	323.336	3.074	10	20	DGCD	
C[C@H](Nc1cnn(CCO)c1)c1ccc(Cl)c(Cl)c1O	756854594	FXOMFAMNHARYDF-QMMMGPOBSA-N	316.188	3.061	10	20	DGCD	
C[C@@H](N[C@@H]1COc2ccccc2C1)c1cc(F)cc(F)c1O	756494844	OLZTTZMUSCQSBH-MFKMUULPSA-N	305.324	3.325	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCCOCCF)c1O	853238324	GHCKVAWIWSZJCN-SNVBAGLBSA-N	320.202	3.100	10	20	DGCD	
Cc1ncc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)s1	866454461	CQLUGAMZZWRUOP-RKDXNWHRSA-N	307.375	3.477	10	20	DGCD	
C[C@@H]1CSCCN(Cc2cc(F)c(N(C)C)cc2F)C1	862344478	SYEDZCKOWORPNL-NSHDSACASA-N	300.418	3.216	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ccsc3[nH]2)c1	761982467	LSNYKVQUCYJFIR-SECBINFHSA-N	316.382	3.435	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2O)CC[C@@H]1C(=O)OC(C)(C)C	862486101	VNOZKPUCBAGRSY-ZFWWWQNUSA-N	305.418	3.192	10	20	DGCD	
CC[C@H](CC(F)(F)F)NCc1cc(OC)c(OC)cc1O	761229884	VKJZHJZGFZMRDO-SNVBAGLBSA-N	307.312	3.230	10	20	DGCD	
CC(C)C[C@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1ccccc1O	868516445	IIOXAAYWRDRPBI-FRFSOERESA-N	320.433	3.346	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCc2nc(C)cs2)c1	862756220	UDGLKVGRUSBJMO-UHFFFAOYSA-N	304.415	3.105	10	20	DGCD	
C[C@H](CCc1cccn1C)NC(=O)N[C@H](C)c1ccccc1O	868317403	IFLRBIRXDOPKQI-ZIAGYGMSSA-N	315.417	3.112	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1c[nH]c2cnccc12	1117753842	CXRZVCFNADKHFA-UHFFFAOYSA-N	323.396	3.250	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCc3cc(F)ccc3C2)c1O	768810869	DURCBHBUYPRZRC-UHFFFAOYSA-N	317.335	3.431	10	20	DGCD	
OC1CCN(c2ccc(CN(CC3CC3)CC3CC3)cc2)CC1	876745131	DULWJBQQGTWVNA-UHFFFAOYSA-N	314.473	3.270	10	20	DGCD	
C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccccc1O	770504547	IZLISEHPMQFEJR-KGLIPLIRSA-N	320.433	3.127	10	20	DGCD	
C[C@@H](NCC1CCN(C2CC2)CC1)c1cc(F)cc(F)c1O	774498025	PVWYOWUOVUFYMB-LLVKDONJSA-N	310.388	3.195	10	20	DGCD	
Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	773019325	KOADVTWGPLAOAI-HNNXBMFYSA-N	312.413	3.317	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@H]1CCN(c2ccccc2F)C1	883127100	LNPRVOUKACQJBZ-ZDUSSCGKSA-N	322.330	3.178	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCc3ccccc3OC2)cc1F	786815205	BKVPUMGOOTZGOK-INIZCTEOSA-N	314.404	3.375	10	20	DGCD	
CCCc1nc(C)c(CNCc2cc(C)cc(OC)c2O)o1	894848562	IHUIZXLTPSGLFY-UHFFFAOYSA-N	304.390	3.248	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1nc2ccccc2s1	790717915	FJVGHTFYKDKNPE-SECBINFHSA-N	314.366	3.199	10	20	DGCD	
Cn1ccc(/C=C2/SC(=S)N(c3ccsc3)C2=O)c1	790108871	XBSGGFFRQQPNTO-IZZDOVSWSA-N	306.437	3.492	10	20	DGCD	
C[C@@H]1C[C@H](CCNCc2cc(F)c(N(C)C)cc2F)CCO1	1329009162	PMNNEACBJWAEQD-CHWSQXEVSA-N	312.404	3.326	10	20	DGCD	
C/C=C(\CC)C(=O)N1CCN(c2ccc(OCC)cc2)CC1	1321012651	XVNKCKVVGYCKFL-SYZQJQIISA-N	302.418	3.090	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2C[C@H]2F)cc1	1337915522	GYLFTOHQYMRTLH-DLBZAZTESA-N	316.376	3.232	10	20	DGCD	
CC(C)(CNC(=O)NCc1ccc(N)cc1)Cc1ccccc1	1335666740	UJKVHQBIIYUTLY-UHFFFAOYSA-N	311.429	3.337	10	20	DGCD	
CN(C)c1ccc(CN2CCc3cc(C(=O)O)ccc3C2)cc1	1606054456	XLSAKESTIBEYLA-UHFFFAOYSA-N	310.397	3.009	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2ncc(C(=O)O)s2)c1	1607811286	OYVNHSDMFYKYSY-ZJUUUORDSA-N	306.387	3.267	10	20	DGCD	
Cc1ccc(/C=C/C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)cn1	1600398344	OEDVSPGYQRPHOU-ROJDOSBLSA-N	322.364	3.008	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CNc2ccccc21)c1ccc(N(C)C)cc1	1576189790	VCILKPYTXFKCIR-DYVFJYSZSA-N	309.413	3.139	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)CC1CCC(C(=O)O)CC1	1776867829	FIANOUFJGZGZFZ-UHFFFAOYSA-N	318.461	3.466	10	20	DGCD	
CCCc1ccc(CNCc2ccc(C(=O)O)cc2O)s1	1776833702	NGNOUHCOVRURCD-UHFFFAOYSA-N	305.399	3.394	10	20	DGCD	
CCC(C)(CC)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	158676873	GXYIVOCUZGXFQB-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)C2CCN(C)CC2)cc1F	158719216	KCLUTGICVSMSSI-HNNXBMFYSA-N	321.484	3.492	10	20	DGCD	
CC[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1	166283721	BYFHATWNLSRRIA-QOKNQOGYSA-N	301.478	3.419	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C[C@H](C)OC	182204405	MDRVJRFIKVDVFA-JTQLQIEISA-N	302.212	3.012	10	20	DGCD	
CCOCCCC(=O)NCc1ccc(N(CC)CC)c(F)c1	66841560	RWFMEETVHUNIDQ-UHFFFAOYSA-N	310.413	3.105	10	20	DGCD	
Cc1cc(C(=O)NC[C@@H](C)O)c(C)n1-c1ccc(C(C)C)cc1	97178138	LZESYZKXHXLEEA-CQSZACIVSA-N	314.429	3.328	10	20	DGCD	
O=C(Nc1ccc(NCc2c(O)cccc2Cl)cn1)C1CC1	119497561	DKDJXJFMYQUCQL-UHFFFAOYSA-N	317.776	3.401	10	20	DGCD	
C[C@@H](c1cn(-c2ccccc2)nn1)N(C)Cc1ccccc1O	128445548	CDANLEYHGFHCKR-AWEZNQCLSA-N	308.385	3.166	10	20	DGCD	
CC[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	132906647	OJOUYAGMFBTHSP-INIZCTEOSA-N	321.465	3.318	10	20	DGCD	
CC[C@H](NCc1ccc(-n2cncn2)cc1)c1ccccc1O	155676711	VOABVUDUXGOIBP-KRWDZBQOSA-N	308.385	3.214	10	20	DGCD	
CCCNC(=O)CN[C@H](C)c1ccc(N2CCCCCC2)cc1	158351422	XAYGFBTXXSRDLO-MRXNPFEDSA-N	317.477	3.244	10	20	DGCD	
CC[C@H](OC1CCCCC1)C(=O)NCc1ccc(N(C)C)cc1	159018792	CZCWJQDQNRXDDA-SFHVURJKSA-N	318.461	3.497	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2ccccc2F)cc1OC	159484448	XTCIYIXCVYAEJL-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCOC1	163621908	XCOXOQSGRFMOFT-SJLPKXTDSA-N	320.502	3.145	10	20	DGCD	
Cc1cc(O)c(CN(C)Cc2ccc([S@@](C)=O)cc2)cc1C	176124299	SNGHTBOUUAZGOO-JOCHJYFZSA-N	317.454	3.378	10	20	DGCD	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccccc1O	179585161	PISXLGGYPIOIFG-YEJXKQKISA-N	303.427	3.323	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@H]2COC3(CCCCCC3)O2)c1	181100174	MOJYNGSAQLCCID-MRXNPFEDSA-N	305.418	3.256	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cccc(OC)c2OC)c1	185076900	DALCXVLAWCHSQB-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
CCN(CC)CCCN(Cc1ccccc1O)C[C@@H]1CCCO1	191811603	APKCXRKKZHXLIM-SFHVURJKSA-N	320.477	3.105	10	20	DGCD	
CCN(CC)c1ccc(CNC2C[C@H]3CC[C@H](C2)N3C)cc1F	192848141	YPPKSZXMOBCMMM-IAGOWNOFSA-N	319.468	3.387	10	20	DGCD	
COCCC(C)(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	273506450	TUMCQZJYTVQTNB-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@H](C)c2ccc(C)c(C)c2O)c1	273617222	XRINLYZMHAMTPS-KDOFPFPSSA-N	315.413	3.402	10	20	DGCD	
CCOC(=O)N1CCC(N[C@H](C)c2c(C)cc(C)cc2O)CC1	284266001	WNFACBWPOOTLHK-CQSZACIVSA-N	320.433	3.281	10	20	DGCD	
Cc1cccc(CN(C)Cc2nc(-c3cccs3)no2)c1O	289383226	MQOFYXHMJPIAAF-UHFFFAOYSA-N	315.398	3.444	10	20	DGCD	
CC1CCN(CCCCN[C@@H]2CCc3cccc(O)c32)CC1	295792564	BRFLOBPIQCZSBS-QGZVFWFLSA-N	302.462	3.481	10	20	DGCD	
CCCCOCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	298673296	UPJYQHXTAFIVGU-UHFFFAOYSA-N	321.465	3.101	10	20	DGCD	
CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)[C@H](CC)CO1	403837165	CAEWWYBDAOAVNB-CABCVRRESA-N	309.381	3.123	10	20	DGCD	
CSc1cccc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)c1	541425707	SFMXSQYSIMKBJD-UHFFFAOYSA-N	324.409	3.470	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCc2ccc(Br)cc21	732834958	UCVYQLFLUAXADF-UHFFFAOYSA-N	324.199	3.419	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(C)s2)c1	734065805	IHBKROAKDYAUFQ-LLVKDONJSA-N	320.414	3.331	10	20	DGCD	
Fc1ccc(NCc2ccc(N3CCSCC3)cc2)nc1	741750299	KXQWZMHHVQQWKW-UHFFFAOYSA-N	303.406	3.386	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCC2(C)C)cc1F	750295335	AJTVONSGNWTQLA-HNNXBMFYSA-N	307.413	3.270	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCOCC3(CCC3)C2)c1O	759914631	HGEFPGIJWLKSRF-UHFFFAOYSA-N	323.820	3.251	10	20	DGCD	
CC(C)(C)C(=O)N1CCN(Cc2cc(F)ccc2O)C(C)(C)C1	761214287	BWXFJJUJVWLJMB-UHFFFAOYSA-N	322.424	3.000	10	20	DGCD	
CCS[C@@H](C)c1noc(COC(=O)c2cc(O)cs2)n1	767347749	TVRYJPMDJTVOEV-ZETCQYMHSA-N	314.388	3.008	10	20	DGCD	
COc1cc(CN2CCc3c(F)cccc3C2)c(O)cc1C	768465396	KUJOVXJETOPCKA-UHFFFAOYSA-N	301.361	3.407	10	20	DGCD	
CC[C@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(Cl)ccc1O	769494945	CBEKDRZYYLBGND-JKSUJKDBSA-N	324.852	3.267	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CC23CCCCC3)cc1F	770804445	JZPALPPCBVKUJG-MRXNPFEDSA-N	319.424	3.414	10	20	DGCD	
C[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(N(C)C)cc1	773018609	YNFRZKFKDKKTFU-LSDHHAIUSA-N	312.413	3.397	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)c1O	775056111	VTWMANYEGBFTAV-IACUBPJLSA-N	320.389	3.320	10	20	DGCD	
O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(O)cs1	783608804	SATPHEOEBDCAEH-UHFFFAOYSA-N	313.718	3.372	10	20	DGCD	
CC(C)N1CC[C@H](CNCc2c(O)ccc(Cl)c2F)C1	790963050	XNGNJOVINQNZEL-LLVKDONJSA-N	300.805	3.005	10	20	DGCD	
COc1ccc2c(c1NC(=O)c1ccc(C)c(O)c1O)CCC2	791124894	CAGXHYMZZXGDHI-UHFFFAOYSA-N	313.353	3.156	10	20	DGCD	
COc1ccc(CN[C@@H]2CCc3ccc(OC)cc3C2)c(O)c1	793386561	WNDOJXCLHBVKJF-MRXNPFEDSA-N	313.397	3.057	10	20	DGCD	
CC[C@@H](NCc1cccn(CC)c1=O)c1ccc(C)cc1O	794829987	XAFHMNNLZGJEKB-MRXNPFEDSA-N	300.402	3.123	10	20	DGCD	
Cc1cc(C(=O)O[C@@H](C)C(=O)C2CC2)c(C)n1-c1ccccn1	798591799	YFYRTKHSOQWDRB-ZDUSSCGKSA-N	312.369	3.014	10	20	DGCD	
O=C(OCc1ccc(Cl)nc1Cl)c1cccc(O)c1O	800203333	LLSLNRZQUMTSCW-UHFFFAOYSA-N	314.124	3.157	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)OC[C@H]1CCCO1	804960520	RDZDOVWEPOZLAQ-QGZVFWFLSA-N	320.433	3.279	10	20	DGCD	
COc1cc(O)c(CN2CCCOc3ccccc32)cc1OC	811508533	VKXUCGHIDWAHRH-UHFFFAOYSA-N	315.369	3.199	10	20	DGCD	
CCC1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	813037271	LGKULQKFIVJYHZ-UHFFFAOYSA-N	301.434	3.228	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCCN2CCCCC2=O)c(O)c1	815577132	HFBCTPJBHPFCQF-OAHLLOKOSA-N	304.434	3.062	10	20	DGCD	
C[C@@H]1C[C@H](NCCc2ccc(N)cc2)CN1Cc1ccccc1	817956091	QJFBETRHANTCJI-UZLBHIALSA-N	309.457	3.064	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](CO)C2)ccc1N1CCCCC1	827354384	OXLIRXXPMMGJOM-GOSISDBHSA-N	302.462	3.190	10	20	DGCD	
C[C@@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1O	827915887	CVYGEEXJIGRBGP-LLVKDONJSA-N	303.383	3.294	10	20	DGCD	
CCOCc1cc(CNCCc2ccc(C)cn2)ccc1OC	835066185	UNIPZAZSCKEWAO-UHFFFAOYSA-N	314.429	3.267	10	20	DGCD	
NC[C@H]1CCCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	841030948	PYDDWVPPLYRDNJ-MJGOQNOKSA-N	301.478	3.284	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H]1[C@H]1CCCOC1	843417991	YJFYDSZGKYXYKD-HKUYNNGSSA-N	302.462	3.452	10	20	DGCD	
COc1cc(N2CCC[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1OC	845640120	USOYMLPALXBTBK-GFCCVEGCSA-N	324.377	3.006	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc(OC)c2O)C12CCC2	846144517	HJCTZLPABQCNCA-VBNZEHGJSA-N	305.418	3.399	10	20	DGCD	
Cc1csc(CCC(=O)NCc2cc(Cl)ccc2O)n1	846473133	JINQELCRTBESQJ-UHFFFAOYSA-N	310.806	3.060	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC2(C)CC=CC2)cc1	847292031	LJNMETSRHHQEJM-UHFFFAOYSA-N	301.434	3.441	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)c1	860240513	AXRQEXINMWODND-BDGZYUFMSA-N	323.392	3.164	10	20	DGCD	
COc1ccc(CCNCc2ccc(C)cc2O)cc1OC	876894896	YJTWVIYVBWFISR-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2c(O)cccc2F)c(OC)c1	886507466	MCOKUSWSAJHTDL-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCc3cc(O)ccc3C2)c1O	894573764	WVXFFZZSMNQWHY-MRXNPFEDSA-N	313.397	3.062	10	20	DGCD	
C[C@H]1COC[C@H]1NCc1ccc(OCc2ccccc2)cc1O	896737351	RRYAZBNSYZBJSG-KBXCAEBGSA-N	313.397	3.096	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@H]1CCCN1CC(F)(F)F	896841420	YRHYAPABOGDSOK-LLVKDONJSA-N	322.758	3.162	10	20	DGCD	
O=C1/C(=C/c2ccc3c(c2)CCCO3)SC(=S)N1C1CC1	899260531	JXSNVUGUMLWBGW-ZROIWOOFSA-N	317.435	3.375	10	20	DGCD	
CCCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)CC1CC1	1116327006	HYCKGRFJXCXTRD-UHFFFAOYSA-N	319.468	3.200	10	20	DGCD	
CC[C@@H](NCCc1nc(C(C)C)no1)c1ccc(C)cc1O	1116890073	MXHPNCWAYABFCZ-CQSZACIVSA-N	303.406	3.490	10	20	DGCD	
COc1cc(C)cc(CNCCc2ccc(N(C)C)cc2)c1O	1119509287	CWQFKYGCXORUCV-UHFFFAOYSA-N	314.429	3.108	10	20	DGCD	
Cc1c(C(=O)NCc2ccc(N)cc2)cnn1C1CCCCC1	1346209750	LDLOWIJVPWINNV-UHFFFAOYSA-N	312.417	3.209	10	20	DGCD	
O=C(NCc1cccc(O)c1O)c1coc(C2CCCCC2)n1	1347542814	SOIATUQAWSOMPZ-UHFFFAOYSA-N	316.357	3.064	10	20	DGCD	
CC1=CCC[C@H](C)[C@@H]1CNC[C@H](N)c1ccc(N(C)C)cc1	1576556140	NZHUESLFRHZUJD-IPELMVKDSA-N	301.478	3.334	10	20	DGCD	
CC[C@](CNCc1ccc(C)cc1O)(C(=O)O)c1ccccc1	1595167994	JIHWXPUSEGNIDH-LJQANCHMSA-N	313.397	3.223	10	20	DGCD	
C[C@H](NCc1cccc(Cl)c1O)c1ncc(C(=O)O)s1	1604346568	KJDUSMHZWMFZEL-ZETCQYMHSA-N	312.778	3.051	10	20	DGCD	
C[C@@H](NCc1cc(Br)ccc1O)C1CCOCC1	134496096	UYTBPOATMMBDFX-SNVBAGLBSA-N	314.223	3.059	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccccc1F	115280768	CNNDVHDVKPAUNN-UHFFFAOYSA-N	314.404	3.449	10	20	DGCD	
C[C@@H]1[C@@H](NCc2cc(F)ccc2O)CCN1Cc1ccccc1	309849985	ZTJAVIMYEJJSHB-KDOFPFPSSA-N	314.404	3.284	10	20	DGCD	
CCN1C(=O)/C(=C\c2cccc3c2OCCCO3)SC1=S	53090799	LVVRUTVFYRRHNE-FMIVXFBMSA-N	321.423	3.069	10	20	DGCD	
CCc1nc(NC(=O)NCc2ccc(N(C)C)cc2)sc1C	174333316	KHMLYGKATFOXSC-UHFFFAOYSA-N	318.446	3.402	10	20	DGCD	
Cc1ccc(OCC(=O)NCc2ccc(N(C)C)cc2C)cc1	115281247	DHFGBFNGQDWPQB-UHFFFAOYSA-N	312.413	3.065	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2c[nH]c3cccc(C)c23)c1	114540841	XSTBHPPMYCRNIJ-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)c2ccccc2C)c1	182466256	VEPQYZREZHKTIR-UGSOOPFHSA-N	301.386	3.093	10	20	DGCD	
CCSCC[C@@H](C)N(C)Cc1cc(OC)c(OC)cc1O	180670812	PNWKHMZQXDWBPR-GFCCVEGCSA-N	313.463	3.373	10	20	DGCD	
CC[C@@H](C)CC(=O)N1CCCN(c2ccc(OC)cc2)CC1	189147500	CTVDHAPBEVSIKE-OAHLLOKOSA-N	304.434	3.170	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@](C)(O)c2ccc(F)cc2)c1	186189758	RZMZDNBRABRPQU-SGTLLEGYSA-N	319.376	3.098	10	20	DGCD	
CCS[C@@H]1CC[C@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1	180827703	HLIWZMDKTPQLOF-DBMMHUENSA-N	321.442	3.244	10	20	DGCD	
Cc1nccc(-c2cccc(NC(=O)c3cccc(O)c3O)c2)n1	189055992	NARFRMRHHCQAHP-UHFFFAOYSA-N	321.336	3.116	10	20	DGCD	
CSc1ccsc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183488119	VINBXLOUBHFMRC-SECBINFHSA-N	323.439	3.242	10	20	DGCD	
Cc1nccn1-c1ccc(CN[C@@H](C)c2ccccc2O)cn1	183433354	AMLSAXMKJYXMCG-ZDUSSCGKSA-N	308.385	3.132	10	20	DGCD	
C[C@H]1CCC[C@]1(C)C(=O)N1CCOc2cc(N(C)C)ccc21	410533578	JTOZOGCYDJPVFD-UGSOOPFHSA-N	302.418	3.304	10	20	DGCD	
CC[C@H](NC[C@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1	132090635	GELOWOKUIHKCPX-UXHICEINSA-N	312.457	3.397	10	20	DGCD	
CC(C)Oc1cccc([C@H](C)NC(=O)Cc2ccc(N)cc2)c1	236774015	YKNDBHMFPBRBCS-AWEZNQCLSA-N	312.413	3.476	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCc2cccs2)c1	273370053	FXHHNPNMPRTAGU-LLVKDONJSA-N	305.399	3.134	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)[C@H]1CC=CCC1	277495191	JUSFNMVUSVIBGA-JTQLQIEISA-N	310.191	3.127	10	20	DGCD	
CC[C@@H](NCCCNC(C)=O)c1cc(Cl)cc(Cl)c1O	287897941	ZKNSJXDCDKCGKU-CYBMUJFWSA-N	319.232	3.266	10	20	DGCD	
Cc1nnc(CCN[C@H](C)c2cc3c(cc2O)CCCC3)s1	289938404	VUZBIUQLUKBWNR-LLVKDONJSA-N	317.458	3.324	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCCSC	283716622	UPAOVWXFRORLGK-UHFFFAOYSA-N	310.463	3.457	10	20	DGCD	
C[C@@H](NCCC1(O)CCC1)c1ccc(Br)cc1O	284457519	UUTKUDIOHRIMLU-SNVBAGLBSA-N	314.223	3.110	10	20	DGCD	
CCn1cc([C@H](C)NCc2cc(Cl)cc(OC)c2O)cn1	294966052	XATCXKGQKWNOLI-JTQLQIEISA-N	309.797	3.121	10	20	DGCD	
CN(Cc1nc(-c2cccs2)no1)Cc1cc(F)ccc1O	809688045	ZINCOANAERCXEJ-UHFFFAOYSA-N	319.361	3.275	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1cccc3c1OCCCO3)CC2	297120930	YOCQNZKYJZTZJO-HNNXBMFYSA-N	311.381	3.331	10	20	DGCD	
COc1cccc(CN[C@@H]2Cc3ccc(Cl)cc3C2)c1O	800287932	CWWRPWGFLIBEBM-OAHLLOKOSA-N	303.789	3.311	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccnnc1	297517203	XUTXGRPYJMJQRH-UHFFFAOYSA-N	300.362	3.016	10	20	DGCD	
COc1cccc(CN[C@@H](CC(C)C)CN2CCCC2)c1O	294666778	AGQLOQZFUOKQRM-INIZCTEOSA-N	306.450	3.001	10	20	DGCD	
C[C@@H]1CCC[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1	817935802	DWAYUDXANUSIMU-BXUZGUMPSA-N	315.442	3.235	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC3CCC2CC3)c1	815835209	NBTWCMVEAVYRIT-PIISCBOPSA-N	303.402	3.404	10	20	DGCD	
CC[C@@H](C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819589949	UWIUFFBEHAKVGM-HUUCEWRRSA-N	304.434	3.074	10	20	DGCD	
Cc1cc(CN(C)CCC(=O)OC(C)(C)C)ccc1N(C)C	815060723	CLRVLOSSHTVBNM-UHFFFAOYSA-N	306.450	3.225	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cc(Cl)ccc1O	827750343	DZVACLNHLBGYIV-HOCLYGCPSA-N	311.809	3.257	10	20	DGCD	
CN(CC1=CCSC1)Cc1ccc(Br)cc1O	827812408	MHGRZMCTEKDPSV-UHFFFAOYSA-N	314.248	3.260	10	20	DGCD	
CC(C)N1CC[C@@H](N(C)Cc2cc(Cl)c(F)cc2O)C1	825337983	KFMGIDWJMRNWIR-GFCCVEGCSA-N	300.805	3.099	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1O	827930270	FSRFPWFWAPPJKY-GFCCVEGCSA-N	324.380	3.158	10	20	DGCD	
C[C@H]1CC[C@](CNCc2ccc3c(c2)CCCO3)(CC(=O)O)C1	900027453	QSMIWBOQGUUDSW-IFXJQAMLSA-N	317.429	3.382	10	20	DGCD	
C[C@@H](NC[C@@H](O)C1CCC1)c1cccc(C(F)(F)F)c1O	834906674	RTMNJWGRXZEFAJ-NOZJJQNGSA-N	303.324	3.223	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@]2(C)C(C)C)c1	838766092	STCYJQAWGIEFES-XNJJOIOASA-N	306.406	3.196	10	20	DGCD	
CCN(C)c1ccc(CN(C)Cc2noc(C3CC3)n2)cc1	839672546	WCBIFMGNDWFNPH-UHFFFAOYSA-N	300.406	3.035	10	20	DGCD	
COc1cccc(CN2CC(Cc3ccc(F)c(F)c3)C2)c1O	839146007	YBYGYIGMOMJNCY-UHFFFAOYSA-N	319.351	3.354	10	20	DGCD	
C[C@@H]1CCCC[C@H]1OCCN(C)c1ccc(OCC(=O)O)cc1	833612305	NUNXDJUEHVHJME-RHSMWYFYSA-N	321.417	3.182	10	20	DGCD	
Nc1ccc(Cc2noc(-c3noc4c3CCCCC4)n2)cc1	843160791	IYAZUUIIKCDOMI-UHFFFAOYSA-N	310.357	3.167	10	20	DGCD	
CCc1cccc(CN(CCN(C)C)Cc2ccco2)c1O	848910304	IESOSENUEVVRQS-UHFFFAOYSA-N	302.418	3.111	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(CN)cc1	841326170	UFPWVUPDGRIRPE-UHFFFAOYSA-N	313.401	3.295	10	20	DGCD	
CO[C@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)CC(C)C	841889027	YBJXSCWGFFTHDW-LBPRGKRZSA-N	316.785	3.105	10	20	DGCD	
COc1cccc([C@H](C)NCCSCC(F)(F)F)c1O	846159886	RVMYLTQTSGZVOX-VIFPVBQESA-N	309.353	3.347	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](CO)CC2CCCCC2)c1	841763578	ZYZZGEAORDVXSN-HIFRSBDPSA-N	307.434	3.383	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)Cc2cnccn2)cc1F	740003886	AHWDTJODZXQPFC-CQSZACIVSA-N	316.424	3.183	10	20	DGCD	
CC[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(F)cc1O	840886937	OJTCTNQNZGEGNQ-SCRDCRAPSA-N	303.324	3.121	10	20	DGCD	
CCSCC[C@@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O	756618425	PXNGTRYJTVLFFP-VXGBXAGGSA-N	311.447	3.361	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H]2c2ncon2)c1	750020190	XJHHKSCYRVLREW-CYBMUJFWSA-N	317.389	3.115	10	20	DGCD	
CCC/C=C\C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	920887999	JGTJNOHXUFRFTK-YVACAVLKSA-N	302.418	3.057	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cc(C3CC3)n(C)n2)c2c(O)ccc(F)c21	927109884	ZIYSBEZHDAKLLV-IINYFYTJSA-N	315.392	3.480	10	20	DGCD	
CN(C[C@H]1CC1(C)C)C(=O)NCc1ccc(N2CCCC2)cc1	851988315	XIZXXOZRIBWKMC-MRXNPFEDSA-N	315.461	3.474	10	20	DGCD	
C[C@@H]1C[C@H](NCCCCn2ccnc2)c2c(O)ccc(F)c21	756458245	KQTADRPKFDZNAU-OCCSQVGLSA-N	303.381	3.346	10	20	DGCD	
CCSc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1	769741351	SQWDYYUOOJPYIE-FOWTUZBSSA-N	324.405	3.260	10	20	DGCD	
OCc1ccc(CN2CCCc3cc(OC(F)F)ccc32)o1	761222308	OYUZNLZUOBUDOV-UHFFFAOYSA-N	309.312	3.326	10	20	DGCD	
Oc1cccc2c1CCN(Cc1c(O)ccc(Cl)c1F)C2	862528940	FNKUWQQTEQPVIW-UHFFFAOYSA-N	307.752	3.449	10	20	DGCD	
CCOc1ccc(CN2CCN(C)CC23CCCCC3)c(O)c1	769548139	FXRNWVHGBFTMMS-UHFFFAOYSA-N	318.461	3.241	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCC[C@@H](C)C1)c1ccccc1O	1116674227	WDYFKAUSHVDCAP-GDBMZVCRSA-N	304.434	3.082	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](CC)[C@@H](O)c2ccccc2)c1	873193197	JSOVLRVBOFUYRJ-HKUYNNGSSA-N	315.413	3.393	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@](C)(C(=O)OC)C2)cc1F	769525313	HIRCIJPQWHVHPH-SFHVURJKSA-N	322.424	3.057	10	20	DGCD	
CC(C)Nc1ccccc1NCC(=O)N(C)Cc1ccco1	871845424	AGVFCAIMIUYZOO-UHFFFAOYSA-N	301.390	3.170	10	20	DGCD	
CSC1CCN(Cc2cccc(Br)c2O)CC1	877663402	QJLUBGKRUPWXKX-UHFFFAOYSA-N	316.264	3.482	10	20	DGCD	
CCc1nc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1	773013034	ZCMYMMBEFPSUAZ-LBPRGKRZSA-N	317.458	3.191	10	20	DGCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)CC2CCC2)cc1	771722422	MUIQTDAPDUQVPF-UHFFFAOYSA-N	324.490	3.095	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CCCC[C@H]3F)cc2)CC1	877589247	KBXICZMKCCNTJV-QZTJIDSGSA-N	306.425	3.018	10	20	DGCD	
Cc1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cc1Cl	778919847	NXAXSQCGLMCRHH-UHFFFAOYSA-N	319.788	3.309	10	20	DGCD	
Cc1cccc2nc(CCN[C@@H](C)c3c(O)cccc3F)cn12	886631280	IWIDIQLHRWCJAC-ZDUSSCGKSA-N	313.376	3.381	10	20	DGCD	
CCN(C)c1ccc(CN(C)CC[C@H]2CCCCN2C)cc1	773754642	RGIPRRRYHYQFJJ-GOSISDBHSA-N	303.494	3.449	10	20	DGCD	
CNC(=O)C1(NCc2cc(-c3ccccc3)ccc2O)CCCC1	779176099	ZTIUAPSZQQHYPX-UHFFFAOYSA-N	324.424	3.208	10	20	DGCD	
C[C@@H](NCCOCC(F)F)c1cccc(C(F)(F)F)c1O	788774356	CRBVDTPATWQJPN-MRVPVSSYSA-N	313.266	3.343	10	20	DGCD	
COC(=O)[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccsc1	789301081	XQTAFSJHNASZMO-MEBBXXQBSA-N	321.398	3.027	10	20	DGCD	
COc1cc(C)cc(CNCC[C@@](C)(O)c2ccccc2)c1O	894502909	CEVCGXHEBQDQTR-LJQANCHMSA-N	315.413	3.097	10	20	DGCD	
COc1ccc(CN[C@@H](C)Cc2cccs2)c(O)c1OC	892521466	VFXWSJUEEZJMKY-NSHDSACASA-N	307.415	3.192	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1O	794802382	DZWTXDVAJCKNRY-TZMCWYRMSA-N	316.367	3.378	10	20	DGCD	
CC[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)OC(C)(C)C	790977058	FRFODTXDQVXJKR-LLVKDONJSA-N	317.788	3.395	10	20	DGCD	
Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2)cc1C=O	792849275	QLNUPAKJWVHHHD-UHFFFAOYSA-N	310.397	3.112	10	20	DGCD	
Cc1ncc(/C=C/C(=O)Nc2c(Cl)ccc3nonc23)s1	1352345014	MUGSOMACFFCZFZ-GORDUTHDSA-N	320.761	3.293	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@H]2CC=CC[C@H]2C1	1520739526	ZQJQSUVHTVPPSX-TXEJJXNPSA-N	316.430	3.135	10	20	DGCD	
COc1ccc(-c2ocnc2C(=O)N(C)c2ccc(N)cc2)cc1	1579185179	CZXPINSMZQXWRE-UHFFFAOYSA-N	323.352	3.209	10	20	DGCD	
C/C(=C\c1cccnc1)C(=O)N1CC[C@@H](C(=O)O)c2ccccc21	1589005528	IPHSOOQZWYNWRX-SICOMBFOSA-N	322.364	3.090	10	20	DGCD	
CCCS(=O)(=O)Nc1cccc(NCc2ccccc2O)c1	151103196	FNCNGTLEXPXXCS-UHFFFAOYSA-N	320.414	3.156	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H]2CCCc3ccccc32)c1O	68489237	OCVXTSAQEYUFIQ-MRXNPFEDSA-N	311.381	3.137	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccnc3ccccc23)c1	104900506	MHJLJJRWRPSPCY-LBPRGKRZSA-N	322.364	3.440	10	20	DGCD	
COCCOC1CCN(Cc2c(O)ccc3ccccc23)CC1	116868540	KZODRSCZOOJWFG-UHFFFAOYSA-N	315.413	3.173	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1c(Cl)cccc1[N+](=O)[O-]	119196213	LGNDHUNDXRCTAM-UHFFFAOYSA-N	320.732	3.226	10	20	DGCD	
Oc1cc2c(cc1CNc1ccccc1N1CCCC1)OCO2	120131118	VXKINXUXIHNEFA-UHFFFAOYSA-N	312.369	3.333	10	20	DGCD	
Cc1cccn2cc(CNCc3c(O)cccc3Cl)nc12	124002563	NSAFIOXYBFQDLF-UHFFFAOYSA-N	301.777	3.292	10	20	DGCD	
CCCCc1noc(CN(C)c2ccc(OC)cc2OC)n1	132249820	XJPJJMNDUZVDIP-UHFFFAOYSA-N	305.378	3.066	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1	151547172	KENFHPQFNBLACR-AWEZNQCLSA-N	320.452	3.455	10	20	DGCD	
CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCOC1	157427304	MGAGRHLGFWFEDR-DNVCBOLYSA-N	318.461	3.069	10	20	DGCD	
CSC(C)(C)CNC(=O)NCc1ccc(N2CC=CC2)cc1	173292743	VFVAODZWUUVNNF-UHFFFAOYSA-N	319.474	3.004	10	20	DGCD	
COc1ccc(O)c(CN(C)CCCOc2ccccc2)c1	179761395	RAQFVMCEDFXHMK-UHFFFAOYSA-N	301.386	3.302	10	20	DGCD	
C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1	184769004	UEYZXSBWAZRAHW-CVYKPKQLSA-N	324.380	3.116	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1O	185512083	JVHXTRLAOKJKGO-VHSKPIJISA-N	324.273	3.462	10	20	DGCD	
CCCOc1ccc(NC(=O)c2cccc(O)c2O)c(C)c1	186994660	HIDRRYFJHPLADA-UHFFFAOYSA-N	301.342	3.447	10	20	DGCD	
Nc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1	237880849	IWTDMZYSAXGOQM-IBGZPJMESA-N	324.424	3.019	10	20	DGCD	
CC1(C)Cc2cc(NC(=O)NCc3ccccc3O)ccc2O1	268320646	JVJQACQGEQRFBT-UHFFFAOYSA-N	312.369	3.427	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C	273481230	MEDXDPZRCUYGGQ-KBPBESRZSA-N	304.434	3.059	10	20	DGCD	
Cc1ccc2nc(CNCc3ccc4c(c3)CCCN4C)cn2c1	284123472	XRPAVXCVOHCSDS-UHFFFAOYSA-N	320.440	3.315	10	20	DGCD	
CCCn1c(SCC(=O)C(C)=O)nc2cc(Cl)ccc21	289518216	CYOLHGAZDJDTHC-UHFFFAOYSA-N	310.806	3.350	10	20	DGCD	
CN(C)C[C@@H](NCc1cc(F)ccc1O)c1ccc(F)cc1	290466236	NFVVICNCAQOMIF-MRXNPFEDSA-N	306.356	3.063	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCc2cccc(F)c2F)cc1	299518408	INFZJEDZVLHIJB-UHFFFAOYSA-N	318.367	3.280	10	20	DGCD	
CCCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	343183634	RMAAGFDMRFDEKG-UHFFFAOYSA-N	302.418	3.434	10	20	DGCD	
OC[C@@H]1Cc2ccccc2N(Cc2cccc(Cl)c2O)C1	367788525	BIDBPVNXHFEYAW-GFCCVEGCSA-N	303.789	3.217	10	20	DGCD	
Cc1ccc(O)c(CN[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1	389789018	OARNDDJVHUEVRT-APWZRJJASA-N	310.441	3.311	10	20	DGCD	
COCCC(C)(C)NCc1cc(Br)ccc1O	397914907	MQIUPVPIQKTPEI-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
Cc1c(CNC(=O)CCc2ccc(O)cc2)n(C)c2ccccc12	473271025	SECMQYKVIDEUHN-UHFFFAOYSA-N	322.408	3.441	10	20	DGCD	
C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)/C=C\c2ccc(O)c(O)c2)C1	588449297	UEYZXSBWAZRAHW-UQXCZLMFSA-N	324.380	3.116	10	20	DGCD	
CCCN(Cc1nc(O)c2ccccc2n1)Cc1ccccc1O	728927326	RKOFPECDRBOLDE-UHFFFAOYSA-N	323.396	3.453	10	20	DGCD	
CSC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	731324284	GDHYWQQAAMAPHF-CYBMUJFWSA-N	306.475	3.243	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](c3ccco3)C2)cc1	732233464	QYINACOQILWYAN-OAHLLOKOSA-N	313.401	3.045	10	20	DGCD	
CCCC(=O)Nc1ccc(CNC(=O)c2cc(O)cs2)cc1	732272097	GZTOABXYGPTVJY-UHFFFAOYSA-N	318.398	3.122	10	20	DGCD	
CC[C@H](CNC(=O)c1cc(O)cs1)Oc1cccc(F)c1	753340454	BZVIGXOFVAVSHG-GFCCVEGCSA-N	309.362	3.180	10	20	DGCD	
C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1O	756503958	RHWZAYAHJMMYFG-KOLCDFICSA-N	322.758	3.333	10	20	DGCD	
COc1ccc(CNCc2nnc(C(C)(C)C)s2)cc1C	758488598	QNQYVAYYNBRRPR-UHFFFAOYSA-N	305.447	3.442	10	20	DGCD	
CC[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	773017136	UJHMQONJNASWMZ-JLJPHGGASA-N	304.434	3.135	10	20	DGCD	
C[C@H]1CN(C)[C@H](C)CN1Cc1ccc(N2CCCCC2)cc1	775987749	WFESPXFEXNVRAX-SJORKVTESA-N	301.478	3.201	10	20	DGCD	
CCOCc1cc(CN[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)ccc1OC	776498520	NJECHLZOUFWXLY-FSPWUOQZSA-N	321.461	3.381	10	20	DGCD	
CCC1(O)CCC(NCc2c(O)ccc(Cl)c2F)CC1	790981497	NCIXDMMKQNZNCC-UHFFFAOYSA-N	301.789	3.358	10	20	DGCD	
COc1ccc(CNC(=O)C2C3CC4CC(C3)CC2C4)c(O)c1	794382837	JGZNBDYYEMKSBG-UHFFFAOYSA-N	315.413	3.089	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cn(C(C)C)cn2)cc1	798896894	FNXQZUAKXPKGEO-UHFFFAOYSA-N	314.433	3.240	10	20	DGCD	
CCn1ncnc1COC(=O)c1ccc(-n2c(C)ccc2C)cc1	801210617	QLGGFARVBAVLJP-UHFFFAOYSA-N	324.384	3.063	10	20	DGCD	
CCC(CC)(CCO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	802298155	KSWLLSDUAMADEI-CQSZACIVSA-N	321.465	3.054	10	20	DGCD	
CN(CCCO)Cc1ccc2c(c1)CCN2Cc1ccccc1	809661164	VZXRIPSASKGKMN-UHFFFAOYSA-N	310.441	3.064	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCCC[C@@H]2C[C@@H](C)O)c1	809700558	JCHCAWHNDHMRSM-GDBMZVCRSA-N	307.434	3.306	10	20	DGCD	
CC[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(C(F)(F)F)cc1O	810222738	ABKSFNLKWIPGOE-ZKYQVNSYSA-N	315.335	3.389	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)C[C@H](O)Cc1ccccc1	816625150	ULNUWQXUIJCZOF-CQSZACIVSA-N	305.805	3.081	10	20	DGCD	
CC[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817960527	MOELIKOVYZQJSG-GFCCVEGCSA-N	315.442	3.188	10	20	DGCD	
CCN(CC)c1ccc(CNCc2nn(C)cc2Cl)cc1F	824758551	XUZBYPNXVJHNMV-UHFFFAOYSA-N	324.831	3.349	10	20	DGCD	
Oc1c(Cl)cccc1CN[C@@H]1CCO[C@H](c2ccncc2)C1	824955791	ZFQMYHTZHNFHJH-ZBFHGGJFSA-N	318.804	3.451	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1O	827946879	UEAMMYHWKJQDKY-WBVHZDCISA-N	324.424	3.092	10	20	DGCD	
Oc1ccc2ccncc2c1CN1C[C@@]2(CCCO2)[C@H]1C1CC1	840095846	JFWSTRYPDSNXQW-MOPGFXCFSA-N	310.397	3.084	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)C2(OC)CCC2)ccc1OC	840969513	GRNSLKLMMAHJPU-AWEZNQCLSA-N	307.434	3.279	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCNC3(CCC3)C2)cc1F	841089398	MKODREVFMOAZSR-MRXNPFEDSA-N	319.468	3.436	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(Cl)cc1O	841748240	IKTZZAMBOPRSOD-NORZTCDRSA-N	311.809	3.034	10	20	DGCD	
Nc1ccc(CCNC(=O)NC[C@H](c2ccccc2)C2CC2)cc1	841908515	WFJGGGDCSNBYSO-LJQANCHMSA-N	323.440	3.304	10	20	DGCD	
CCOc1cccc(CN2C[C@@H](C)OC3(CCCC3)C2)c1O	843435176	QRTKNBHOPSKPOC-CQSZACIVSA-N	305.418	3.324	10	20	DGCD	
CC[C@@H](Cc1ccc(F)cc1)NCc1cc2c(cc1O)OCO2	850343180	QULHVOOIUFNXAX-HNNXBMFYSA-N	317.360	3.371	10	20	DGCD	
Cc1cc(F)cc(C)c1C(=O)NCc1ccc(N(C)C)cc1	854271472	IFCJOZSBJQKBAG-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
COc1cccc(C2(NC(=O)c3cc(O)cs3)CCC2)c1	856206723	JUYLFHFBHZOOBA-UHFFFAOYSA-N	303.383	3.272	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@H](CCO)c2ccccc2)cc1F	858144851	VVQYYLZMDRCOGH-QGZVFWFLSA-N	320.383	3.244	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1[nH]c(C)c(C=O)c1C	860049033	OUNVDYNILOMFCU-UHFFFAOYSA-N	314.385	3.202	10	20	DGCD	
Cc1cccc(O)c1CN[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C	877602945	AJSYMOAWVCFUGJ-KBPBESRZSA-N	322.449	3.482	10	20	DGCD	
COc1cccc(CN(C)Cc2ccc(OC)c(OC)c2O)c1	891470253	LKJVFRIJEGFTEV-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H](c2nncn2C)C(C)C)c(O)c1C	903066260	UKXRECYOGSGZJX-UKRRQHHQSA-N	302.422	3.185	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc3nonc3c2)c2c(O)ccc(F)c21	903323242	DICBIDUZHWYMGZ-OTYXRUKQSA-N	313.332	3.406	10	20	DGCD	
C/C=C(/C)C(=O)N1CCC[C@@H](NCc2ccc(OC)c(C)c2)C1	998880482	IBLIMPBJNMTIHV-OTMHGDBASA-N	316.445	3.050	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[C@@H](F)C1	1118124129	VJYYFVZEQHLGPE-CVEARBPZSA-N	317.408	3.143	10	20	DGCD	
O=C(Nc1cccc(N2CCCCC2)c1)c1ccc2nonc2c1	1118155333	OYAXMDFTAHXNPC-UHFFFAOYSA-N	322.368	3.465	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)cc1	1319624519	NOBRAEOKCOVGNH-OAHLLOKOSA-N	318.461	3.416	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCC2(CCC2)C1	1339246083	FMZSEZUDJFUZHI-UHFFFAOYSA-N	304.419	3.113	10	20	DGCD	
O=C(O)CC[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1	1595019591	UPFKUTALZJWLGL-JTQLQIEISA-N	315.772	3.262	10	20	DGCD	
CCCN(Cc1cc(C(=O)O)c(CC)[nH]1)c1ccc(CN)cc1	1595885745	DTXTZHBFIMRGSB-UHFFFAOYSA-N	315.417	3.151	10	20	DGCD	
Cc1cccc([C@@H](NCc2ccc(Cl)cc2O)C(=O)O)c1	1605328765	DCVWXLXGLQICIP-OAHLLOKOSA-N	305.761	3.270	10	20	DGCD	
O=C(O)c1cnc(NCc2cc(Cl)ccc2O)c(Cl)c1	1608977888	JEGZJOWYBOGBFO-UHFFFAOYSA-N	313.140	3.404	10	20	DGCD	
C[C@H](N[C@H](CO)CC1CCCCC1)c1cc(C(=O)O)ccc1O	1609778746	XOVKTELEQVZKEF-WFASDCNBSA-N	321.417	3.072	10	20	DGCD	
CCN(CC)c1ccc(CNCc2occc2C(=O)O)cc1	1776883284	JLJLXKWJAYMXON-UHFFFAOYSA-N	302.374	3.114	10	20	DGCD	
CN(Cc1ccccc1O)[C@H]1CCCN(c2ccccc2)C1=O	115543729	JNYRUZALAPDJBE-KRWDZBQOSA-N	310.397	3.020	10	20	DGCD	
COc1ccc(CCN[C@H](C)c2cc(OC)ccc2O)cc1	119929925	MDNUOBKHBBOOPM-CYBMUJFWSA-N	301.386	3.303	10	20	DGCD	
Cc1cc(Br)cc(CN2CCOCC2(C)C)c1O	124564867	ZSEBOJHWOPVOHI-UHFFFAOYSA-N	314.223	3.074	10	20	DGCD	
CC[C@H](OC1CCCCC1)C(=O)NCc1cccc(OC)c1O	131043089	RHYOPBQJJDCFNB-HNNXBMFYSA-N	321.417	3.145	10	20	DGCD	
COCc1ccc([C@@H]2CCCN2Cc2cc(OC)ccc2O)o1	137072833	STWWLMMIXFCRSA-INIZCTEOSA-N	317.385	3.477	10	20	DGCD	
Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(N)cc1	160411000	WZKOXQOXBBYOGK-UHFFFAOYSA-N	314.433	3.309	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCCN(c2nccs2)CC1	179849736	XMPYUTNUVNJVNL-UHFFFAOYSA-N	323.849	3.214	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(OC)c(F)c2)c1	182342205	KWQCFDKPNLYTSN-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
C[C@H]1CN(C(C)(C)CN[C@@H](C)c2ccc(F)cc2O)C[C@@H](C)O1	184912566	POFYIRWCXUABBK-MJBXVCDLSA-N	324.440	3.070	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H]2CCCO[C@H]2CC(C)C)c1O	186397664	DIYXDWXXJITXSD-IRXDYDNUSA-N	323.408	3.417	10	20	DGCD	
CC(C)COc1ccccc1CNC(=O)Cc1ccc(N)cc1	236651377	NVZZDNFVUWZKGF-UHFFFAOYSA-N	312.413	3.163	10	20	DGCD	
C[C@@H](Cc1ccc(O)cc1)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273552655	GFPUKLYTUZCTDY-NWDGAFQWSA-N	316.357	3.288	10	20	DGCD	
Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H](C)c3ccccc3O)n2)c1	279416883	FJOFVZLTFRKAJM-OLZOCXBDSA-N	323.400	3.293	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](c2nncn2C)C(C)C)cc1	285617967	WIOQJCJALWUMIQ-QGZVFWFLSA-N	315.465	3.148	10	20	DGCD	
CCOc1cccc(CN2CCOC[C@@H](C3CCC3)C2)c1O	292796028	MWHHQNLLOJRYOT-INIZCTEOSA-N	305.418	3.039	10	20	DGCD	
CSc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1	299061384	NYVSGKYYDABDAV-UHFFFAOYSA-N	315.442	3.142	10	20	DGCD	
COc1cccc(CNCc2c[nH]nc2-c2cccs2)c1O	370892999	SJEUTRPLFHUETC-UHFFFAOYSA-N	315.398	3.142	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1ccc(SC(F)F)cc1	588419746	YUVDDGIZXURKAY-YVMONPNESA-N	303.380	3.490	10	20	DGCD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)NCc1ccc(N(C)C)cc1	701919190	JBWJJGFFVQDNHT-AWEZNQCLSA-N	321.465	3.098	10	20	DGCD	
CCN1C(=O)/C(=C/c2cc(F)c(F)c(F)c2)SC1=S	727972914	LFMPNVFYVITLGB-UITAMQMPSA-N	303.330	3.325	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1nn(C)c2ccccc12	734508699	CEFQSSGNXFUUIA-UHFFFAOYSA-N	308.429	3.238	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1	745819501	DXSIMCAQQYGRHD-KCQAQPDRSA-N	318.417	3.169	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)N2CCC[C@H](C)C2)cc1	747682431	KPTYSXQABRRCDA-HNNXBMFYSA-N	304.434	3.170	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C)CC1	753026384	WAJMGNIMIOFIJK-UHFFFAOYSA-N	303.450	3.473	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@H](C)c1cc(F)cc(F)c1O	756710186	BUXUAQJUSYWULX-BMIGLBTASA-N	323.339	3.063	10	20	DGCD	
C[C@@H](NCCc1ccc(CO)cc1)c1cc(Cl)ccc1O	756791685	UFMQOPOQNMCQDT-GFCCVEGCSA-N	305.805	3.431	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@H]3CCC(F)(F)C3)ccc21	763706961	MZAQCJKEPUYBQD-AWEZNQCLSA-N	323.387	3.056	10	20	DGCD	
O=C(CCC1CCCC1)COC(=O)/C=C\c1ccc(O)c(O)c1	764556886	GXQFJYHMVJJZQQ-YFHOEESVSA-N	318.369	3.194	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCN3CCCC[C@H]23)cc1	764966006	WXRFIIRMTLKWMR-KFKAGJAMSA-N	301.478	3.420	10	20	DGCD	
COc1cc(O)c(CN2C[C@@H](C)Oc3ccccc32)cc1OC	765652726	XXDFOZFLBQTTJV-GFCCVEGCSA-N	315.369	3.197	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCc2cccnc21	766684557	MWKBFDUBWXNXEM-SFHVURJKSA-N	323.440	3.192	10	20	DGCD	
CCOc1ccc(CNc2ccccc2OCCOC)c(O)c1	770420867	ORSWHWDBCLWGGM-UHFFFAOYSA-N	317.385	3.428	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCOCC2(CCCC2)C1	774654797	YTGFGZJPNUUVTR-UHFFFAOYSA-N	312.413	3.333	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccccc1O)C(=O)N1c2ccccc2C[C@@H]1C	775128394	ASEAHWLHCRWWMA-KKUMJFAQSA-N	324.424	3.409	10	20	DGCD	
COc1cc2nc(NCc3cc(C)ccc3O)[nH]c2cc1OC	775190411	ASAQKKQUUDRIHA-UHFFFAOYSA-N	313.357	3.206	10	20	DGCD	
CC[C@H](N[C@@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1O	775513253	OXYMZPRANKHPLS-OCCSQVGLSA-N	305.809	3.367	10	20	DGCD	
CC[C@@H](NCc1nnc2n1CCCC2)c1cc(Cl)ccc1O	775551216	JNYNKGCGGXJFDU-CYBMUJFWSA-N	320.824	3.214	10	20	DGCD	
COCCC[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1	777976351	ONHZCCANFMYNDA-INIZCTEOSA-N	318.461	3.356	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cc2cccc(Cl)c2o1	778916360	FRJGPSYIEICINT-UHFFFAOYSA-N	317.728	3.427	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2sccc2C1	779515263	PRPQCGACKMRPDG-GQCTYLIASA-N	315.394	3.148	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	779525545	QUQKZAIUPGKNOS-BXUXQVAWSA-N	301.386	3.196	10	20	DGCD	
CCOC(=O)c1ccccc1N(C)C(=O)/C=C/c1cnccc1C	783959839	ROQIOQIHFGXFKG-MDZDMXLPSA-N	324.380	3.243	10	20	DGCD	
CC[C@@]1(C)Oc2ccc(NC(=O)c3cccc(O)c3O)cc2O1	785670074	LBPRLPDHENBOPX-KRWDZBQOSA-N	315.325	3.248	10	20	DGCD	
CC[C@H](NCc1c(O)ccc(Cl)c1F)C1CCOCC1	790970664	MUNFTJJPALIFBB-ZDUSSCGKSA-N	301.789	3.480	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(Cl)ccc2C)c(O)c1	794376163	CVWHRXRBEMNJHA-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3cc(C)ccc3[nH]2)c(O)c1	794382257	SMWZZCCWRRYJNC-UHFFFAOYSA-N	310.353	3.121	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cnc(Cl)cc2C)c(O)c1	797635994	OPMCJCUFJQKCGF-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
CCC(CC)(CCO)NCc1cc(Cl)cc(C(C)=O)c1O	801587466	PCNWWIHNCJIICU-UHFFFAOYSA-N	313.825	3.279	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCC1(OC)CCC1	802285501	HLHADDIHBXITJE-UHFFFAOYSA-N	320.433	3.273	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CSC[C@@H]2C)cc1	804967335	OJFLDSKOCWHQIS-XJKSGUPXSA-N	321.490	3.084	10	20	DGCD	
C[C@@H](NC(=O)Nc1cc2ccccn2n1)c1ccc(N(C)C)cc1	806650046	QKPATNMVPQDNNP-CYBMUJFWSA-N	323.400	3.283	10	20	DGCD	
CCO/C=C\C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	816826168	YUIWPYIFCJAKHS-KAMYIIQDSA-N	302.418	3.186	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](CO)C[C@@H](C)C2)cc1F	817412344	IYJVKHKKRYYZIH-ZBFHGGJFSA-N	308.441	3.122	10	20	DGCD	
CC(C)N(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1	817917836	UCDKPGSQDBNIAQ-UHFFFAOYSA-N	315.442	3.329	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1	817938168	GABVGLMDLRQUFL-KZULUSFZSA-N	319.399	3.381	10	20	DGCD	
CC[C@H](NC(COC)COC)c1ccc(C(F)(F)F)cc1O	824925740	DUEJWJVPFAHVLK-ZDUSSCGKSA-N	321.339	3.113	10	20	DGCD	
C[C@@H](CC1CCCC1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832274832	ZOZGNRBBRNMRFH-KBXCAEBGSA-N	317.477	3.085	10	20	DGCD	
CCOc1cccc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c1O	840827554	IVFJPDWCAMXBBA-HNNXBMFYSA-N	320.433	3.046	10	20	DGCD	
COc1ccccc1NC(=S)NCc1ccc(C)c(C)n1	840844367	QAPDUYHXCVBYJZ-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)[C@@](C)(OC)C2CC2)c1	840860510	NYYNPTMJLDNRMS-OAVHHTNSSA-N	321.417	3.033	10	20	DGCD	
COc1ccc(O)c(CNC[C@@H](N)c2ccc(C(C)C)cc2)c1	841038565	YOWUJYRMVQTYRY-GOSISDBHSA-N	314.429	3.314	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1ccc([N+](=O)[O-])cc1F	843058584	VVTVUWVNYMJQDB-UHFFFAOYSA-N	315.348	3.145	10	20	DGCD	
CCOc1cccc(CN2CC3(CCOCC3)C[C@@H]2C)c1O	843431555	HNWVOSYLMZQDRB-AWEZNQCLSA-N	305.418	3.182	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(CN)cc2F)c(O)c1C	844925196	RXAOULGNOHPXFS-CYBMUJFWSA-N	302.393	3.458	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1cnsn1	846765999	IOLGRXAREBWORS-UHFFFAOYSA-N	302.447	3.160	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC([C@@H]2CCCNC2)CC1	849350075	JRVDBVLXLCWIPP-GOSISDBHSA-N	315.505	3.273	10	20	DGCD	
Cc1ncccc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	858368295	IIPIQYXXWQOFFN-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
C[C@@H]1C[C@@H]1c1nnc(NCc2c(O)cccc2Br)o1	865294610	PYPFNJYMRXXDOU-SFYZADRCSA-N	324.178	3.273	10	20	DGCD	
CC(=O)C1=NN(c2ccc(Cl)c(C(F)(F)F)c2)C(=O)C1	871957007	KUTVLNOETJCYDS-UHFFFAOYSA-N	304.655	3.041	10	20	DGCD	
CCNC(=O)c1cccc(NCc2cc(C)cc(OC)c2O)c1	894115871	JCDOUBWQUNRAQK-UHFFFAOYSA-N	314.385	3.071	10	20	DGCD	
COc1cccc(CN(C)CCCCN2CCCCC2)c1O	895685970	OWAWORMDVHOEER-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccncc1	901705733	GBNXLRWFUPKRTE-DNVCBOLYSA-N	312.461	3.101	10	20	DGCD	
CCc1csc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)n1	910729127	IZUJXDMLGOHQKW-STUBTGCMSA-N	318.398	3.007	10	20	DGCD	
CCC(CC)C(=O)N1CCN(Cc2cc(C)c(C)cc2O)CC1	914570008	HTWPSTAEVXHJMY-UHFFFAOYSA-N	318.461	3.089	10	20	DGCD	
Oc1cccc(-c2nc(O)c3c4c(sc3n2)CCCC4)c1O	917503709	FSHZXKSZWKJDEF-UHFFFAOYSA-N	314.366	3.354	10	20	DGCD	
C[C@@H](C[C@@H](O)c1ccco1)NCc1ccc2c(c1)CCCO2	921947563	RLFLUIPGXOYHTP-XJKSGUPXSA-N	301.386	3.206	10	20	DGCD	
Cc1cc(C(=O)O)ccc1NC(=O)N[C@H](C)c1ccccc1O	1600122312	CSIVHOYIKAIFHY-LLVKDONJSA-N	314.341	3.282	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@H]2C(=O)O)cc1F	1609998992	DCDDHMRCXQJHIP-UKRRQHHQSA-N	308.397	3.015	10	20	DGCD	
C[C@H]1CC[C@](NCc2cc(Cl)cc(Cl)c2O)(C(=O)O)C1	1776628118	SHHSAAYJPSDGLP-RMLUDKJBSA-N	318.200	3.432	10	20	DGCD	
CN1CCc2cc(/C=C(/CC(=O)O)c3ccc(C=O)o3)ccc21	1777093770	UROXVZRDGCHFOQ-ZROIWOOFSA-N	311.337	3.100	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc3cc[nH]c23)cc1F	79811129	BIIAYMVXQXEFDE-UHFFFAOYSA-N	311.360	3.303	10	20	DGCD	
Cc1cc(C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccccn1	130819028	HDTFQDLYCCYOHV-UHFFFAOYSA-N	307.353	3.447	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C)c2F)c1	131215578	VXEGXNMRWFQVRH-LLVKDONJSA-N	303.333	3.339	10	20	DGCD	
C[C@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(N(C)C)cc1	157617941	OCTJQJSZAAKNMS-SCLBCKFNSA-N	302.393	3.276	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2csc(C(C)C)n2)c1	170900460	APXUKWRBAJRQHK-JTQLQIEISA-N	320.414	3.472	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCN(C)C(=O)OC(C)(C)C)c1	185313780	GVDNTMNXTLQGCP-ZDUSSCGKSA-N	308.422	3.218	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)c1ccccc1	188904141	VDQDLTZQZRAFBR-UHFFFAOYSA-N	324.424	3.456	10	20	DGCD	
C[C@H](N[C@H](C)CNC(=O)OC(C)(C)C)c1ccc(F)cc1O	227689469	OZIQXJSTGMAOHJ-MNOVXSKESA-N	312.385	3.095	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1	238078398	XPGUKAYQIFUUNW-FPOVZHCZSA-N	320.436	3.222	10	20	DGCD	
CC[C@H](CNC(=O)Cc1ccc(N)cc1)Oc1cccc(C)c1	262642538	SCAOTCOTXXIPKT-QGZVFWFLSA-N	312.413	3.094	10	20	DGCD	
COc1ccc(CN[C@@H](C)[C@H](O)c2cccc(F)c2)cc1C	267168877	HLMTUDGOTNCWJF-UGSOOPFHSA-N	303.377	3.354	10	20	DGCD	
COc1cc(Cl)cc(CNCC[C@H](O)c2ccccc2)c1O	289396971	FWAXWKCCOBSJAG-HNNXBMFYSA-N	321.804	3.268	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC2(CCOCC2)[C@@H]1C1CC1	293722735	UDTAKBKJPGIBEB-INIZCTEOSA-N	307.821	3.437	10	20	DGCD	
COC(=O)Nc1cccc(CN[C@H]2CCc3cccc(O)c32)c1	297376868	QTTZNOJTXQVWLR-HNNXBMFYSA-N	312.369	3.348	10	20	DGCD	
COc1ccc(COCCN(C)Cc2ccccc2O)cc1	731842830	ICZYTVKLUHZZMN-UHFFFAOYSA-N	301.386	3.049	10	20	DGCD	
CCN(Cc1ccoc1)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	737108197	RDKPVSRZKAIEKP-XQRVVYSFSA-N	316.313	3.312	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNC[C@@H](O)c1ccco1	747098825	YEIJHXMSXSDLSO-GOSISDBHSA-N	309.365	3.475	10	20	DGCD	
Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756570317	AMIYDXSZHNHNQK-IUCAKERBSA-N	305.334	3.317	10	20	DGCD	
C[C@@H]1C[C@@H](NCCCOC[C@H]2CCOC2)c2c(O)ccc(F)c21	756607147	ZJDNFGTUBQUOTL-UMVBOHGHSA-N	323.408	3.112	10	20	DGCD	
C[C@@H](NCc1ccon1)c1cc(Br)c(F)cc1O	756637684	ONMMBYJNNRTVKP-SSDOTTSWSA-N	315.142	3.133	10	20	DGCD	
Cc1ccc(OC(F)F)c(CNC(=O)c2cc(O)cs2)c1	757426193	QMQPWLXRFVLHGD-UHFFFAOYSA-N	313.325	3.294	10	20	DGCD	
Cc1noc(C[C@H](NCc2ccccc2O)c2ccccc2)n1	758617279	KBNZCMZZGZOXFM-INIZCTEOSA-N	309.369	3.157	10	20	DGCD	
COc1cc(Cl)cc(CN(C)c2ccc3c(c2)OCO3)c1O	761217445	VLHNYXFPZWWNJM-UHFFFAOYSA-N	321.760	3.419	10	20	DGCD	
CCC[C@@]1(C)CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768466504	QWYRYNFBRUWEIA-AEFFLSMTSA-N	305.418	3.220	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(Br)c2)c(O)c1O	770466237	PTYLXKGCVPDKCJ-UHFFFAOYSA-N	322.158	3.421	10	20	DGCD	
CCC[C@]1(CO)CCCN1Cc1c(O)ccc(Cl)c1F	775178909	WQXZPUIBPWXANL-OAHLLOKOSA-N	301.789	3.312	10	20	DGCD	
CC[C@@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccccc1O	775522169	LDLBOTKTEMNQIL-GDBMZVCRSA-N	305.418	3.161	10	20	DGCD	
O=[N+]([O-])c1cc(CNc2nncs2)ccc1N1CCCCC1	777505367	BDUNRRJDFIQRRH-UHFFFAOYSA-N	319.390	3.049	10	20	DGCD	
CCC(CC)[C@@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)OC	779535976	GHGOJVLBGUQDIK-UGAXZCSASA-N	321.417	3.069	10	20	DGCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](C)c1ccccc1	789991708	ZLQFTAXGJRYLHH-QWRGUYRKSA-N	303.333	3.159	10	20	DGCD	
C[C@]1(CNCc2c(O)ccc(Cl)c2F)CCO[C@@H]1C1CC1	790990918	NIYHYKLIBAZOLH-HZPDHXFCSA-N	313.800	3.480	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCc2cc(F)ccc21	801076331	HBIYQNUKBOLSHT-KXFIGUGUSA-N	302.736	3.477	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(F)cn1	807486963	ZKQVSVBKJASYII-UHFFFAOYSA-N	316.376	3.298	10	20	DGCD	
CCCCN(C)C[C@H](C)N[C@H](C)c1cc(F)cc(F)c1O	808732916	PAXWTPNVXVMLJS-NWDGAFQWSA-N	300.393	3.441	10	20	DGCD	
CCN(CC(=O)N1CCCCCC1)Cc1cc(C)c(C)cc1O	809713815	MVUSXDDTXTUCSF-UHFFFAOYSA-N	318.461	3.234	10	20	DGCD	
CC[C@@H](NC[C@@H](C)N(C)C)c1ccc(C(F)(F)F)cc1O	810216344	SZLQRDYUETZFQD-ZWNOBZJWSA-N	304.356	3.402	10	20	DGCD	
Oc1ccc2oc3c(c2c1CN1CCn2cncc2C1)CCCC3	811787554	OBDSQLMTGORLQW-UHFFFAOYSA-N	323.396	3.230	10	20	DGCD	
COC(=O)C1(NCc2ccc(N(C)C)c(C)c2)CCCCC1	815051143	KKVUXVWFNMFSDH-UHFFFAOYSA-N	304.434	3.027	10	20	DGCD	
CCOc1ccc(CN2CCC[C@](CO)(C(C)C)C2)c(O)c1	816662773	YEWHVRZLMVKERX-SFHVURJKSA-N	307.434	3.021	10	20	DGCD	
CCCN1C[C@@H](CN[C@H](C)c2ccc(N(C)CC)cc2)CC1=O	817588456	FTCFHXWGJRISDB-HZPDHXFCSA-N	317.477	3.052	10	20	DGCD	
C[C@H](NCC1CCNCC1)c1ccc(Cl)c(Cl)c1O	817940432	HENNAIXLVJTIOH-VIFPVBQESA-N	303.233	3.349	10	20	DGCD	
CCC[C@H](CC)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	823776138	KVAHRPLWHOUILC-CVEARBPZSA-N	318.461	3.464	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C2CC2)[C@H](CO)C2CC2)cc1Cl	826064463	KMMAMCOUSUKZLR-RHSMWYFYSA-N	309.837	3.241	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cc2cnccc2o1	845958687	QSWFHRVDDVJNGB-UHFFFAOYSA-N	309.369	3.293	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](C)N2CCC[C@@H](C)C2)c1O	846140507	VPNVWKGMWRVJFT-ILXRZTDVSA-N	306.450	3.172	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccc(C)o1	846145583	LSIDBYYFJDMXRN-JSGCOSHPSA-N	305.374	3.341	10	20	DGCD	
Cc1cnc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c(C)c1	848561398	YUYZNACIUPKMLM-CYBMUJFWSA-N	315.373	3.206	10	20	DGCD	
COc1cc(CNCC2(OC)CCC2)c(O)c(C(C)(C)C)c1	850240376	PZTHHLXLJJKIEK-UHFFFAOYSA-N	307.434	3.357	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccnn1C(F)F	854373877	LYFMGSCTKKCNCP-UHFFFAOYSA-N	323.343	3.426	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H](OC(C)C)c2ccccc2)c1	862756271	UUBRLCUODVZQPD-SFHVURJKSA-N	313.397	3.483	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1O	875392505	BGIGKOSOWPHCRQ-KGLIPLIRSA-N	318.417	3.244	10	20	DGCD	
COc1ccc(CN[C@H]2CCc3c(C)cccc32)c(O)c1OC	892919627	BNTRQAIMSAVABX-INIZCTEOSA-N	313.397	3.495	10	20	DGCD	
CCc1ccc([C@@H](O)CNCc2cc(C)cc(OC)c2O)cc1	894739203	JXPZDFSYMWWOIQ-KRWDZBQOSA-N	315.413	3.095	10	20	DGCD	
CCc1csc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)n1	910729124	IZUJXDMLGOHQKW-BREXMAIKSA-N	318.398	3.007	10	20	DGCD	
Nc1ccc(NC(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1	911659849	FQHBLCHJZGJCCJ-VXGBXAGGSA-N	302.296	3.097	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2nonc2C)cc1F	925013183	KTRGPEOBQRHVPG-LLVKDONJSA-N	306.385	3.214	10	20	DGCD	
CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(O)ccc1O	1338764395	FTSQUOFIBDYITH-OAHLLOKOSA-N	318.760	3.338	10	20	DGCD	
Cc1cc(CN2CC[C@@]23CCCNC3)ccc1N1CCCCC1	1579598254	LMGRVQCBCGWLKG-HXUWFJFHSA-N	313.489	3.313	10	20	DGCD	
C[C@@H](NCCc1ccc(F)c(F)c1)c1cc(C(=O)O)ccc1O	1593275386	SHRPSJZIDKTDHD-SNVBAGLBSA-N	321.323	3.262	10	20	DGCD	
CCN(C)c1ccc(CN(C)Cc2ccc(C(=O)O)cc2)cc1	1596194477	NXYVAGKFCVXVTP-UHFFFAOYSA-N	312.413	3.473	10	20	DGCD	
Cc1[nH]c(C(=O)[C@H](C)Sc2nccs2)c(C)c1C(=O)O	1610398492	OURLLLCWLWJVBE-QMMMGPOBSA-N	310.400	3.150	10	20	DGCD	
CCOc1ccccc1NC(=O)NCc1cc(OC)ccc1O	114565852	CCOOVSZZZRMRBN-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
COc1ccc(O)c(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1	179718799	XAMDEFAZCYRVRP-GOSISDBHSA-N	317.360	3.113	10	20	DGCD	
Cc1ccc([C@H](C)NCCOc2ncccc2Cl)c(O)c1	186107211	RKEYMSVOAXRHQY-LBPRGKRZSA-N	306.793	3.479	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	188553717	RITAOGBMYIREOS-IUODEOHRSA-N	307.413	3.222	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)COc2cccc(C)c2)cc1F	131425995	GNCJBNJPKJPFND-OAHLLOKOSA-N	319.376	3.019	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)nc1)N1CCOc2cccc(F)c21	90001007	MODKNTDDSRACHQ-FNORWQNLSA-N	318.735	3.313	10	20	DGCD	
Cc1ccc(O)c(CN(Cc2ccco2)C[C@@H]2CCCO2)c1	92437206	BVURDFKYJLIWAI-KRWDZBQOSA-N	301.386	3.475	10	20	DGCD	
CC(C)[C@H](C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	264758754	PMYAYQPQDLHKMU-JCVNQNCUSA-N	316.445	3.039	10	20	DGCD	
Cc1c(CNC(=O)c2cc(C3CC3)[nH]n2)n(C)c2ccccc12	352110393	BYAVUMDBYJJNLU-UHFFFAOYSA-N	308.385	3.017	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCCSC2)c(C)n1-c1ccccn1	267196980	CKQKYLUJSOGOTP-AWEZNQCLSA-N	315.442	3.115	10	20	DGCD	
C[C@@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O	273427534	UQCMOPPVOFCQLN-OCCSQVGLSA-N	321.367	3.172	10	20	DGCD	
CN(C)C(=O)[C@H]1CCCN1Cc1cc(-c2ccccc2)ccc1O	271052367	WXGVUAAPHNVGAQ-GOSISDBHSA-N	324.424	3.112	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1O)c1ncnn1C	276634593	OBZRRQHXPMKTBH-SFYZADRCSA-N	315.204	3.239	10	20	DGCD	
COCCc1ccnc(N[C@H](C)c2ccc(F)c(F)c2O)c1	287578307	QXTHLMYRKIFSIH-SNVBAGLBSA-N	308.328	3.427	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2nc(C(F)(F)F)ns2)c1	804430608	BQLGRWJFBFEFKK-LURJTMIESA-N	319.308	3.444	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CN(C)C2CCCCCC2)cc1	800746073	LNSBBGAAKCRPOK-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
CC[C@@H](N[C@H](C)c1cc(Br)ccc1O)C(C)(C)O	295061463	RFRSNBGKTPCADX-NOZJJQNGSA-N	316.239	3.355	10	20	DGCD	
CCOc1ccc(O)c(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1	291542619	LKLVJNYKPSCJCE-IAGOWNOFSA-N	305.418	3.180	10	20	DGCD	
C[C@@H](NCC1=CCNCC1)c1cc(Cl)c(Cl)cc1O	817967169	DLZXFTVPNUESFY-SECBINFHSA-N	301.217	3.269	10	20	DGCD	
CC(C)[C@H](CCO)N[C@@H](C)c1cccc(C(F)(F)F)c1O	815584149	WUEMOLCHDAJOLT-GWCFXTLKSA-N	305.340	3.469	10	20	DGCD	
C[C@@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Cl)c2O)C1	817412538	MJWQCBXQVVECKO-NXEZZACHSA-N	304.217	3.149	10	20	DGCD	
CCOc1cccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1	728983187	VTVSBPJQIPLBIJ-GFCCVEGCSA-N	315.369	3.291	10	20	DGCD	
CC[C@H](N[C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccccc1O	825045748	KPLOMUULWROGLE-XUWXXGDYSA-N	315.417	3.087	10	20	DGCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)Nn1cnnc1	821507509	BVXYONRCFJGKSU-UHFFFAOYSA-N	307.317	3.469	10	20	DGCD	
COc1ccc(N(CC[S@@](C)=O)Cc2cccs2)cc1	828273515	MDIHFTBUHBCZBM-HXUWFJFHSA-N	309.456	3.142	10	20	DGCD	
COC(=O)c1ccc(/C=C/c2ccc(N(C)C)c(F)c2)nc1	727655410	WINKWMAVUGLSLK-QPJJXVBHSA-N	300.333	3.244	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C(C)(C)Nc2ccccc2)cc1	905316776	DJEVLEZYADZRJL-UHFFFAOYSA-N	311.429	3.260	10	20	DGCD	
CC1CCN(C[C@@H]2CCCN(C(=O)c3cc(O)cs3)C2)CC1	731872882	SXRLFUWBABMQOR-AWEZNQCLSA-N	322.474	3.038	10	20	DGCD	
COc1cc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F	588511079	FQNDPHQKZKKLPT-XQRVVYSFSA-N	317.316	3.206	10	20	DGCD	
O=C(NCCCSc1nccs1)c1cccc(Cl)n1	733974684	JAANQIYZLMKQRH-UHFFFAOYSA-N	313.835	3.104	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c1O	838729787	ISSFOMMQBVQYPO-RDBSUJKOSA-N	320.433	3.415	10	20	DGCD	
CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	834911270	ISTCQEHNZMQGPP-SGIREYDYSA-N	308.378	3.299	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](C)NC(=O)OC(C)(C)C	840941003	MLDGXZPOEPNCRV-AWEZNQCLSA-N	321.465	3.064	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@H](CO)c2ccc(F)cc2)c1	840882328	SSHPEKUAPQDAGO-UKRRQHHQSA-N	303.377	3.266	10	20	DGCD	
COc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c(C)c1	743337286	SQMYMLYDYQLJSO-LBPRGKRZSA-N	315.369	3.209	10	20	DGCD	
COC1([C@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1	840355160	XZJXRPMCHAAFQC-KGLIPLIRSA-N	319.449	3.070	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)C3(OC)CCC3)CC2)cc1	840884227	KQWBBNXBFWZOGC-HNNXBMFYSA-N	318.461	3.211	10	20	DGCD	
CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(N)cc2)o1	841296795	ZAJHRWGQIRMVGI-OAHLLOKOSA-N	315.373	3.030	10	20	DGCD	
C[C@H](C[C@H](O)c1ccco1)NCc1ccc2c(c1)CCCO2	921947561	RLFLUIPGXOYHTP-CJNGLKHVSA-N	301.386	3.206	10	20	DGCD	
COC[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccco1	858148511	ZXJGPXPAGYGREG-AWEZNQCLSA-N	310.344	3.101	10	20	DGCD	
COc1cccc([C@H](C)NCC2CCN(CC3CC3)CC2)c1O	850585339	WHZZAVJOZMDHEO-AWEZNQCLSA-N	318.461	3.173	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCN(C(C)C)CC2)cc1	768138766	TZVAPSALMNZQBB-UHFFFAOYSA-N	303.494	3.449	10	20	DGCD	
COCC1(CNCc2ccc(Br)cc2O)CCC1	691475557	ATHHCYPDYLJGJL-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
CC[C@H](N[C@H]1CCN2CCCC[C@H]12)c1ccc(N(C)C)cc1	764967361	UFAAJAPZCXMRRW-GBESFXJTSA-N	301.478	3.420	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1c[nH]c2cccc(F)c12	769868033	FEJOFFDBJNBLBY-UHFFFAOYSA-N	320.345	3.122	10	20	DGCD	
COc1cccc(O)c1CN1CCC(OCCC(C)C)CC1	768904468	YZHFEWYYQHCRIL-UHFFFAOYSA-N	307.434	3.428	10	20	DGCD	
C[C@H](NC(=O)CCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	764889523	YKGVMYJSTNYGMA-ZDUSSCGKSA-N	320.433	3.052	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@H]2CCC[C@H]2O)cc1F	770292660	NWZRPDGJWHXJIU-CRAIPNDOSA-N	308.441	3.265	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@@H]1C(=O)NC)c1cc(Cl)ccc1O	775524711	GVFLPOKBEUGFIE-UBHSHLNASA-N	310.825	3.001	10	20	DGCD	
CC[C@H](C)[C@@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC	877179989	MILMPWWKOVJASG-BLLLJJGKSA-N	311.422	3.210	10	20	DGCD	
C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1Cc1ccccc1O	779105768	FJWCSVNYZVPOAW-KBPBESRZSA-N	320.433	3.222	10	20	DGCD	
CN1CCOc2ccc(NCc3cc(F)cc(F)c3O)cc21	883065018	WZJCCBBOMBGNIW-UHFFFAOYSA-N	306.312	3.111	10	20	DGCD	
CC(C)(NCc1c(O)ccc(Cl)c1F)C1CCOCC1	785611936	UQLJNTHAQIQXPD-UHFFFAOYSA-N	301.789	3.480	10	20	DGCD	
COc1cc(C)cc(CNc2ccc3c(c2)N(C)CCO3)c1O	894404211	VEFAZPDKLSXGOD-UHFFFAOYSA-N	314.385	3.150	10	20	DGCD	
CC(=O)CC(C)(C)CC(=O)NCc1ccc(N(C)C)cc1C	788511664	DMRSFGXAZYDAHU-UHFFFAOYSA-N	304.434	3.073	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1	799864677	UMQOLKYIZLSOSG-HDMKZQKVSA-N	318.461	3.305	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1319797782	RZCAXXTUMILDPA-HZPDHXFCSA-N	319.468	3.055	10	20	DGCD	
CC(C)(C)N1CC[C@@H](NCc2ccc(N3CCCC3)cc2)C1	1330303215	XCAPSNSLBAYWOX-QGZVFWFLSA-N	301.478	3.249	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CC[C@H](C2CCCC2)C1	1338750289	LUYGPFNQXJBXIG-LBPRGKRZSA-N	318.446	3.266	10	20	DGCD	
COc1ccccc1C1(C(=O)NCc2ccc(N)cc2)CCC1	1343473942	SNTUTVAYBVPOSK-UHFFFAOYSA-N	310.397	3.016	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)CC(F)(F)F	1604184180	HTBMFJNLTKKYHV-RKDXNWHRSA-N	305.296	3.330	10	20	DGCD	
Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1O)CCO2	1580451817	DTKIAQMGEXWFIZ-UHFFFAOYSA-N	304.777	3.022	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)[C@@H]2CC=CCC2)c(C)c1	1776856149	WAFUYZCCUCWPAX-QAPCUYQASA-N	316.445	3.350	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1	72622208	WTSJIVZLKPUVGG-HNNXBMFYSA-N	315.369	3.115	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(O)c(Cl)c2)c1	103530671	OFLNETJDGMVYBF-SECBINFHSA-N	321.760	3.251	10	20	DGCD	
c1ccc([C@H]2C[C@@H]2CNCc2ccc(N3CCOCC3)cc2)cc1	111398440	VBJIAPVZUQVFJZ-TZIWHRDSSA-N	322.452	3.417	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CCCC[C@H]3OC)CC2)cc1	123133574	HRFPQSDOUPVIHA-RTBURBONSA-N	318.461	3.211	10	20	DGCD	
C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C1CCC1	131199716	BAZPJYQLBOSRGA-LBPRGKRZSA-N	302.418	3.259	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC1CCSCC1	135499697	CPYZHPOLUJHXEZ-UHFFFAOYSA-N	306.475	3.211	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@](C)(O)c2ccccc2Cl)c1	156672410	VIEVSBITZCKKIX-QGZVFWFLSA-N	305.805	3.351	10	20	DGCD	
Cc1cccnc1NC(=O)NCCCSc1nccs1	172042505	FZHCGOWHDPIPGG-UHFFFAOYSA-N	308.432	3.150	10	20	DGCD	
C[C@H](N(C)C(=O)NCc1ccc(N2CC=CC2)cc1)C1(C)CC1	176541960	SWQBBLVMGLKYAH-HNNXBMFYSA-N	313.445	3.393	10	20	DGCD	
CC(C)(C)OCC(=O)N(Cc1ccco1)Cc1ccccc1O	182201274	IDBOVZJKSPCFJN-UHFFFAOYSA-N	317.385	3.329	10	20	DGCD	
C[C@@H](NCCCC(=O)N1CCc2ccccc21)c1ccccc1O	183601420	YBNFWXJWNHVIRD-OAHLLOKOSA-N	324.424	3.412	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)Cc2c(C)noc2C)c1	185501397	ZITCUFHQNZPQAT-MNOVXSKESA-N	304.390	3.287	10	20	DGCD	
CSC[C@@H](CCO)N[C@@H](C)c1cc2c(cc1O)CCCC2	185530587	TYRKPMCVORRIKX-SWLSCSKDSA-N	309.475	3.036	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(F)cc1O	186176849	OXOOPFGQTXKHQG-NSHDSACASA-N	305.397	3.240	10	20	DGCD	
C[C@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1O	187828039	QPBFPMJBRLWMGG-JIVACREVSA-N	309.356	3.279	10	20	DGCD	
C[C@H](N[C@H](C)c1nnnn1C1CC1)c1ccc2ccccc2c1O	189146819	OVLFKEPSQDVXGK-NWDGAFQWSA-N	323.400	3.279	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1O	192927436	MNBXYAFRWKAIPN-AMIZOPFISA-N	322.257	3.218	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1	245557409	SKKVQZQHNNAPLT-HDJSIYSDSA-N	305.418	3.479	10	20	DGCD	
CC[C@H](COC)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	266912416	ZVOMWRKYMCOQCI-MRXNPFEDSA-N	321.465	3.098	10	20	DGCD	
CC[C@@H](NC[C@H](O)COc1ccc(F)cc1)c1ccccc1O	271713673	OTTVJHXODNGPFM-WMLDXEAASA-N	319.376	3.012	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N(C)C)cc1	271966301	CZWZPYIRTKBGEN-ZDUSSCGKSA-N	324.428	3.116	10	20	DGCD	
CN1CCC([C@@H]2CCN(Cc3c(O)cccc3Cl)C2)CC1	290478020	NXMUFDOSQZALIW-CQSZACIVSA-N	308.853	3.209	10	20	DGCD	
CCCc1nc(C)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)o1	293903846	ZTOCKMFCYBBPPJ-SNVBAGLBSA-N	319.361	3.400	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H](c3cccc(F)c3)C1)OCO2	729470268	SLPISSFCCVSDLZ-ZDUSSCGKSA-N	315.344	3.250	10	20	DGCD	
CCN(CC(=O)N1CCc2ccccc21)c1ccc(OC)cc1	746109454	OZRCADVFDILLDQ-UHFFFAOYSA-N	310.397	3.111	10	20	DGCD	
O=C(NCCCCCCCN1CCCC1)c1cc(O)cs1	746884542	JKHGLHHZZHVWRY-UHFFFAOYSA-N	310.463	3.230	10	20	DGCD	
C[C@@H](NC1CCOCC1)c1cc(Br)c(F)cc1O	756434231	VIMNZOSIEMQLBC-MRVPVSSYSA-N	318.186	3.123	10	20	DGCD	
COc1ccc(N(C)C[C@@H]2COc3ccccc3O2)cc1F	758143365	UZGFKNBNGWQGLG-CYBMUJFWSA-N	303.333	3.111	10	20	DGCD	
CCC(CC)n1ccc(COC(=O)c2cccc(O)c2O)n1	758583614	ZXHAKMCVNBTXKQ-UHFFFAOYSA-N	304.346	3.012	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)[C@H]3CCSC3)cc2)CC1	762179636	VMQZYXVAACQOBG-INIZCTEOSA-N	318.486	3.292	10	20	DGCD	
CCSc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1	769741352	SQWDYYUOOJPYIE-VBKFSLOCSA-N	324.405	3.260	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H]2c2ccccc2)c1O	774813901	IOHVYTRLWSKVFV-AWEZNQCLSA-N	314.341	3.256	10	20	DGCD	
C[C@@H](O)CN(Cc1ccccc1)Cc1cccc(Cl)c1O	775659457	WZHZTJYULCFJGO-CYBMUJFWSA-N	305.805	3.429	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(C1CCCCC1)C1CC1	779501906	ZRZFLXMHIDVFET-YRNVUSSQSA-N	301.386	3.435	10	20	DGCD	
CC1(C)CN(Cc2c(O)ccc3ccncc23)CC(C)(C)O1	785514609	CBXWAIQDZXUDDG-UHFFFAOYSA-N	300.402	3.330	10	20	DGCD	
COc1cc(CN2CCCC[C@H]2c2cc[nH]n2)c(O)cc1C	795664479	ANLCQGQFRKHXAD-HNNXBMFYSA-N	301.390	3.160	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)/C(F)=C\C1CCCCC1	798176098	YDOACWDTZVJYNF-GXDHUFHOSA-N	307.365	3.190	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2cc(Cl)ccc21	804344860	PSVIPEZNSFCOAN-KXFIGUGUSA-N	315.756	3.354	10	20	DGCD	
CN(C)c1ccc(CNC[C@@]2(C)OCCc3sccc32)cc1	810170603	NTMISOGALSHINP-GOSISDBHSA-N	316.470	3.392	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCc2cncs2)cc1	814406205	OSVVTNVKHSYNJD-UHFFFAOYSA-N	317.458	3.238	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@H](CO)Cc2ccco2)c(O)c1	815589295	OGVBZJYNMGSILV-HUUCEWRRSA-N	303.402	3.104	10	20	DGCD	
Oc1c(CNCc2nnc3n2CCCCC3)ccc2ccccc12	816528869	VCEYMDKPFPGJPJ-UHFFFAOYSA-N	322.412	3.153	10	20	DGCD	
CC[C@@H](N[C@H](C)C1(OC)CCOCC1)c1ccc(N(C)C)cc1	817587939	KNFMTVANGYKTAD-CRAIPNDOSA-N	320.477	3.377	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)CCOCC(F)F)cc12	817762358	UXOJHVJPDUKEGQ-UHFFFAOYSA-N	311.328	3.372	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NCCc1ccc(N)cc1	817956138	RODPJDXVGGRNIK-UWJYYQICSA-N	323.484	3.312	10	20	DGCD	
C[C@@H](NCCc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1	817957255	KEGYKEIEVKDNGW-YLJYHZDGSA-N	323.484	3.312	10	20	DGCD	
Nc1ccc(CC(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1	827479497	YPBJWLYCUYLVBL-UHFFFAOYSA-N	312.417	3.296	10	20	DGCD	
Cc1cc(C(=O)CN2CCC[C@@H]2C)c(C)n1-c1ccc(F)cn1	827944415	FBLYELIGLHERBK-LBPRGKRZSA-N	315.392	3.295	10	20	DGCD	
CCOc1ccc(N(CC)Cc2nc(C(=O)OC)cs2)cc1	828194693	RIWORZGPBCTNLW-UHFFFAOYSA-N	320.414	3.355	10	20	DGCD	
Cc1csc([C@@H](C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	832431998	XTJMZQRFZHSYIR-STQMWFEESA-N	317.458	3.498	10	20	DGCD	
CNc1ccccc1C(=O)NCCCSc1nccs1	839680545	JCJNFFKLNKURME-UHFFFAOYSA-N	307.444	3.097	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC[C@@H]1C[C@H](O)c1cccs1	839707138	SUBUMQKTIIXNQU-PWSUYJOCSA-N	323.439	3.244	10	20	DGCD	
COc1ccc([C@H](CO)CN[C@H](C)c2cc(C)ccc2O)cc1	840808367	KAXWRCZCKLLSHA-ZBFHGGJFSA-N	315.413	3.136	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1C[C@@H](O)C[C@H]1c1ccccc1	840958379	QEHOVOQHHRAPAK-WFASDCNBSA-N	321.779	3.493	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2ccc3c(c2)OCO3)c1O	846135738	FUUAATDECKVATF-GFCCVEGCSA-N	315.369	3.023	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCCn2nccc21	850474319	MAPBDKFONLYOIF-MAUKXSAKSA-N	312.461	3.313	10	20	DGCD	
COCc1csc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	850533488	ZTDOBAJJAUXQHK-SNVBAGLBSA-N	322.386	3.359	10	20	DGCD	
CC(C)(C)OC(=O)N1CC(CCSc2nccs2)C1	863295294	PKMVXJREEQHYJD-UHFFFAOYSA-N	300.449	3.492	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H]3CCOC(C)(C)C3)C2)cc1	872079648	JVOMEQFHABNARE-JKSUJKDBSA-N	318.461	3.069	10	20	DGCD	
O=C(Nc1ccc(NCc2cc(F)cc(F)c2O)cn1)C1CC1	883072264	GLDIELBHHAHGRD-UHFFFAOYSA-N	319.311	3.026	10	20	DGCD	
COCCOc1ccccc1CN[C@@H](C)c1c(O)cccc1F	886508688	KWDGXNDQSIGYDR-ZDUSSCGKSA-N	319.376	3.407	10	20	DGCD	
COc1ccc(F)cc1CCN[C@@H](C)c1cccc(OC)c1O	886723526	BUBSKEQGFCNJAL-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](O)c2ccc(Cl)cc2)c1O	894852256	OWEUWFRAYIHBPD-OAHLLOKOSA-N	321.804	3.186	10	20	DGCD	
Cc1cccc([C@H](CC(=O)O)NCc2ccc(N(C)C)cc2)c1	904042935	MHCZFMLDEXUBIQ-SFHVURJKSA-N	312.413	3.367	10	20	DGCD	
Cc1cc(CN2CC[C@H](C3OCCO3)C2)c(O)c(C(C)(C)C)c1	905695316	NLVRCBNRLMUXHF-AWEZNQCLSA-N	319.445	3.193	10	20	DGCD	
CN1CC(=O)N[C@H]1c1cc(C(C)(C)C)cc(C(C)(C)C)c1O	917500321	GCCIJYRBQLYDST-MRXNPFEDSA-N	304.434	3.047	10	20	DGCD	
COc1ccc(CNC2CC(N(C)C(=O)C(C)(C)C)C2)cc1C	999725639	JZKKCJGLXWKGCY-UHFFFAOYSA-N	318.461	3.129	10	20	DGCD	
C[C@H]1[C@@H](N2CCCC2)CCN1Cc1ccc(N2CCCC2)cc1	1117582781	BALNORPQUOZHNN-PXNSSMCTSA-N	313.489	3.345	10	20	DGCD	
CC[C@H](Cc1ccc(F)cc1)NC(=O)NCc1ccc(N)cc1	1337070574	SFJNGGMAJJXBBX-QGZVFWFLSA-N	315.392	3.228	10	20	DGCD	
Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc3c1CCN3)CC2	1357588635	UBWHXGUZZGQBED-UHFFFAOYSA-N	323.352	3.074	10	20	DGCD	
C[C@@H](NCc1ccc(F)c(F)c1)c1cc(C(=O)O)ccc1O	1593298507	KAKPYOIWTGSYMN-SECBINFHSA-N	307.296	3.219	10	20	DGCD	
CN(C)c1ccc(CNc2ncc(C(=O)O)cc2Cl)cc1F	1598320828	UZSKBBJNHQBWIJ-UHFFFAOYSA-N	323.755	3.250	10	20	DGCD	
CC(C)c1cccc(CN(C)c2ccc(OCC(=O)O)cc2)n1	1776376504	DTGPMOQGSQCVLY-UHFFFAOYSA-N	314.385	3.305	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)C2CCCC2)cc1	1776860521	PUHYGPYDRBTCIA-QGZVFWFLSA-N	304.434	3.266	10	20	DGCD	
CCN(CC)c1ccc(CNC2CC(CCC(=O)O)C2)cc1F	1776861266	ZECMZLVSPXUGEV-UHFFFAOYSA-N	322.424	3.405	10	20	DGCD	
CCOCc1cc(CN[C@H](CC(=O)O)CC(C)C)ccc1OC	1776907289	XWAUCGLQSNHFLB-INIZCTEOSA-N	323.433	3.211	10	20	DGCD	
c1ccc2nc(NCc3ccc(N4CCOCC4)cc3)cnc2c1	53583211	CIETYNQELQOYFF-UHFFFAOYSA-N	320.396	3.079	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccc(F)cc3F)ccc21	58768531	VHLORHFDOHMPDE-UHFFFAOYSA-N	316.351	3.277	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccccn2)cc1F	66906895	HBGCNPBXUSWBGZ-UHFFFAOYSA-N	316.380	3.389	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCc3ccsc3C2)cc1	134238737	YYMLVTFNDXGFOE-UHFFFAOYSA-N	315.442	3.082	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccc(F)c1	172697098	LEWPMKMHENRUSV-ZDUSSCGKSA-N	300.377	3.312	10	20	DGCD	
Cc1ccc([C@@H](C)NCCOc2ncccc2Cl)c(O)c1	186107191	RKEYMSVOAXRHQY-GFCCVEGCSA-N	306.793	3.479	10	20	DGCD	
CCOCCC1(CNC(=O)c2ccc(C)c(O)c2O)CCCC1	179545813	NWZRYUQYMNDWEP-UHFFFAOYSA-N	321.417	3.123	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cc(F)ccc2OC)c1	182409382	BJNGWGIHSWUXLY-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
CCN(CC)c1ccc(CNCC[C@@H](C)CC(=O)O)cc1F	277460193	VMUVCCAJEDVWCU-CYBMUJFWSA-N	310.413	3.262	10	20	DGCD	
CCOCc1cc(CNC[C@@H](C)N(CC)CC)ccc1OC	279718465	UHTNCABRGTXBNF-OAHLLOKOSA-N	308.466	3.052	10	20	DGCD	
Cc1cc(Br)cc(CN(C)CCCCCO)c1O	279509191	XBDJXRHEYFUUIV-UHFFFAOYSA-N	316.239	3.058	10	20	DGCD	
Cc1cc(CNCc2ccc3c(c2)CCO3)cc(N2CCCC2)n1	289880513	RURCVIAPFABBEF-UHFFFAOYSA-N	323.440	3.215	10	20	DGCD	
CC[C@@H](CN[C@H](C)c1ccc(Br)cc1O)OC	290017143	CCRAPAZEHWEPKU-KOLCDFICSA-N	302.212	3.230	10	20	DGCD	
COC[C@@H](NCCc1ccc(N)cc1)c1ccc(F)c(F)c1	817957742	OZGDRSIHQGSUGP-QGZVFWFLSA-N	306.356	3.067	10	20	DGCD	
C[C@@H](N[C@@H]1CCCNCC1)c1cccc(C(F)(F)F)c1O	817969544	WSGMVWNDQCZSCG-GHMZBOCLSA-N	302.340	3.204	10	20	DGCD	
CO[C@H]1CCC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	815835733	DAFCHZRLZGYMPM-GJZGRUSLSA-N	317.429	3.092	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccn(C(C)C)c2C)c1	815835528	WWKXZWDJQFSIAN-UHFFFAOYSA-N	302.374	3.022	10	20	DGCD	
CN(Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCc2c1cnn2C	816519810	WTGWRKBUOFUQAY-CQSZACIVSA-N	323.799	3.428	10	20	DGCD	
COc1cc(CN2CCC(C)(CO)CC2)c(O)c(C(C)(C)C)c1	825519321	CLUIIIDXMAPROU-UHFFFAOYSA-N	321.461	3.293	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC(=O)C1CC1	822808563	GYTHIBANPLSVMC-UHFFFAOYSA-N	316.445	3.251	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2nc(-c3ccccn3)n[nH]2)c(O)c1	834902467	BAHHZKXYCNXOMY-CYBMUJFWSA-N	323.400	3.040	10	20	DGCD	
CCCc1nc(CN(CC2CC2)c2ccc(OC)cc2)no1	831582641	ASVUGNHVOSBBJK-UHFFFAOYSA-N	301.390	3.447	10	20	DGCD	
C[C@H](CCc1ccccc1F)C(=O)NCc1ccc(O)cc1O	910950508	GLLHWUONXIZXIN-GFCCVEGCSA-N	317.360	3.122	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)C[C@@]2(O)CCc3ccccc32)c1	842627312	ZGQWZEZMZUFYGB-FQEVSTJZSA-N	311.425	3.275	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C)CCOC	840393856	ACLKBLOOPOFEJQ-OAHLLOKOSA-N	322.449	3.377	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cccc2nccn12	840978106	ZXQIXSIFVBSEEM-MRXNPFEDSA-N	322.456	3.430	10	20	DGCD	
Cc1ccc(C(=O)NCC(C)(C)c2ccccc2F)c(O)c1O	751539000	XNPCADVPXIDBNC-UHFFFAOYSA-N	317.360	3.253	10	20	DGCD	
C[C@@H]1C[C@@H](NCCCOC[C@H]2CCCO2)c2c(O)ccc(F)c21	756357030	BIRAWZJSNNWHJM-UMVBOHGHSA-N	323.408	3.255	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCCS2)c1	753261444	IBWKYHDKWUPEER-WCQYABFASA-N	324.446	3.047	10	20	DGCD	
CN(C)c1ccc(CNCCc2nc3c(s2)CCC3)cc1	922718508	WHCQQRGPMZIZLG-UHFFFAOYSA-N	301.459	3.030	10	20	DGCD	
Cc1cc(CCN[C@H](C)c2cnnn2C)c(C)n1-c1ccccc1	924590501	WMJJNJWMVAUKHV-OAHLLOKOSA-N	323.444	3.116	10	20	DGCD	
Cc1nn(C)cc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	753698190	GKPULKHFKXBFNE-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
COc1cc(CNCCC(C)(C)CO)c(O)c(C(C)(C)C)c1	850314249	SLGAYACNINUUMU-UHFFFAOYSA-N	309.450	3.197	10	20	DGCD	
Cc1cc(CNC(=O)NCC(F)F)c(C)n1-c1ccccc1	858262956	SLJJQMLLRLNEQD-UHFFFAOYSA-N	307.344	3.158	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCOC[C@@H]2CCOC2)c(O)c1C	756602954	HBIPMWYWIWODDC-CVEARBPZSA-N	307.434	3.103	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cccc(CN(C)C)c2)c1	860408702	LLHYIDBUNPIKGS-UHFFFAOYSA-N	313.401	3.084	10	20	DGCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(-c2ccccc2)ccc1O	765794504	CTLACDVCANISMH-ROUUACIJSA-N	324.424	3.064	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCCc2occc21)c1ccccc1O	868033823	OEIQGUPJIGODFK-BXUZGUMPSA-N	300.358	3.423	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1CCSC1	762331274	OCQKEHOJKAHMMQ-GFCCVEGCSA-N	324.409	3.088	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cn1ncn(C2CC2)c1=S	766341025	IVEAKJMRUHYVAA-UHFFFAOYSA-N	316.430	3.168	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(Cl)no1	874239955	IHTBXQSPBZDXTH-UHFFFAOYSA-N	319.792	3.248	10	20	DGCD	
CNc1cccc(C(=O)NCCCSc2nccs2)c1	876663022	VRZSKAMQNDJQFI-UHFFFAOYSA-N	307.444	3.097	10	20	DGCD	
COC(=O)c1cnc(SCCOCc2ccccc2)s1	1118417763	PBZSEBZBLANSMO-UHFFFAOYSA-N	309.412	3.239	10	20	DGCD	
CC[C@@H](N[C@H](C(=O)N1CCCC1)C(C)C)c1ccccc1O	775524439	QGSDQUUKPXTOJG-WBVHZDCISA-N	304.434	3.080	10	20	DGCD	
CCCOc1ccc2c(c1)CCN(C(=O)c1cc(O)cs1)C2	772564120	LHRJCGPFMBETQW-UHFFFAOYSA-N	317.410	3.441	10	20	DGCD	
C[C@@H](N[C@H]1CCCC[C@@H]1O)c1cccc(C(F)(F)F)c1O	788764298	LYFYOKCYXBNCON-ICCXJUOJSA-N	303.324	3.365	10	20	DGCD	
CCOCc1nc(C)cc(NCc2ccc(N(C)C)c(F)c2)n1	892131317	GRRBOBCFGIMOTA-UHFFFAOYSA-N	318.396	3.139	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](F)CC2CCCCC2)c(O)c1	794373876	NWXHVXSBRPZJSF-OAHLLOKOSA-N	309.381	3.326	10	20	DGCD	
CCc1nc(CC(=O)Nc2c(Cl)ccc3nonc23)cs1	1320978627	PVGIDIYNPCRRJG-UHFFFAOYSA-N	322.777	3.076	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCc2c(O)nnc(C)c2C)c1O	1323472634	PAFRPOXHVWKMKH-LLVKDONJSA-N	321.808	3.317	10	20	DGCD	
O[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C12CCCC2	1326327288	OSNIKMWJTLVMSO-SFHVURJKSA-N	300.446	3.166	10	20	DGCD	
C[C@H](N)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	70171693	GFXMCEMVCDTXPZ-UWVGGRQHSA-N	303.233	3.258	10	20	DGCD	
Cc1ccc(C)c(NC(=O)CSc2ncc(C(=O)O)s2)c1	1607764961	YGJGKCVUENUSLG-UHFFFAOYSA-N	322.411	3.189	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@@H](C(=O)O)c2ccccc2F)c1O	1600218890	DZGICPIRHGIUNS-CQSZACIVSA-N	323.751	3.409	10	20	DGCD	
CCCCC[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)O	1605260000	JLASFPXDVIQRPD-LBPRGKRZSA-N	303.761	3.308	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCCC2(C)C)cc1	1578424490	JBPCAGVEXIRNSV-DLBZAZTESA-N	317.477	3.085	10	20	DGCD	
CC(=O)Nc1cccc(CSc2ncc(C(=O)O)s2)c1	1589210694	XSOPBEABCBVFMD-UHFFFAOYSA-N	308.384	3.092	10	20	DGCD	
COc1ccc(CN[C@H](C)CCNC(=O)C2CCCC2)cc1C	1753000584	KDBLQVNNMQAPOI-OAHLLOKOSA-N	318.461	3.178	10	20	DGCD	
COc1ccc(CN[C@H](C)CCNC(=O)[C@H](C)C(C)C)cc1C	1753014067	DIYSXDLHYXMHGG-HZPDHXFCSA-N	320.477	3.280	10	20	DGCD	
CCN1CCCc2cc(/C=C/c3cc(C(=O)O)ncn3)ccc21	1776875379	QVSNQRBYQDSUDK-FNORWQNLSA-N	309.369	3.118	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCCSC(C)(C)C)c1	160730528	JMHRGKZEJVPLMD-UHFFFAOYSA-N	311.447	3.329	10	20	DGCD	
C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	159124870	SJPJWTGKDMSTAI-GFCCVEGCSA-N	317.410	3.036	10	20	DGCD	
Cc1cc(C(=O)N(C)CC(F)(F)F)c(C)n1-c1ccccn1	65641045	UJKMBEKZVFWLLZ-UHFFFAOYSA-N	311.307	3.123	10	20	DGCD	
CN(C)c1ccc(CNCC(C)(C)NC(=O)OC(C)(C)C)cc1	83475229	BJBXVWZKXRFDAW-UHFFFAOYSA-N	321.465	3.146	10	20	DGCD	
CCOc1cccc(CN2CCc3ccc(OC)cc3C2)c1O	92507674	LXMFGLCBLVMJAA-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
Cc1ccc(O)c(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1	93360302	WHSQEBIRZWYOOA-CYBMUJFWSA-N	308.422	3.046	10	20	DGCD	
CCCOc1ccc(CN(C)[C@H]2CCN(C)[C@H](C)C2)c(O)c1	93644672	MBCAUUZWXDFRJQ-ZBFHGGJFSA-N	306.450	3.096	10	20	DGCD	
Cc1cc(O)c(CN2CCN(c3cccs3)CC2)cc1C	121620500	GBOXRIHYMTYZQU-UHFFFAOYSA-N	302.443	3.393	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)c(F)c2)c1	157843137	YIBNHXKZPLYCQZ-VIFPVBQESA-N	307.296	3.170	10	20	DGCD	
CC[C@@H](NCCCOC[C@@H]1CCCO1)c1ccc(N(C)C)cc1	163500067	NQXQEAPVISPTDF-RBUKOAKNSA-N	320.477	3.379	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@@H](c3nc(C)no3)C2)c1	164210222	FJBQXXDZWGXVNE-CQSZACIVSA-N	301.390	3.080	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1F	180597928	OQHGNBZXPCRYLO-HTZNOQTFSA-N	319.307	3.267	10	20	DGCD	
Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2F)c(O)c1O	181863501	XNDVDWYPYIHANE-LLVKDONJSA-N	303.333	3.379	10	20	DGCD	
Oc1c(Cl)cccc1CN[C@@H]1CCO[C@@]2(CCSC2)C1	182636169	USYZMBOXLJPGEE-DOMZBBRYSA-N	313.850	3.190	10	20	DGCD	
Cc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1[N+](=O)[O-]	182763597	XLPQLCLIGJLGPG-UHFFFAOYSA-N	315.329	3.273	10	20	DGCD	
O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(O)c1O	184770603	YKXCCBYMRYLKHS-UHFFFAOYSA-N	311.259	3.047	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(OC(C)C)nc2)c1	185046132	SVABRTOOKGPXJV-CYBMUJFWSA-N	316.401	3.434	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(Cl)ccc1O	185866159	AHXSJIHKBYBVOR-JTQLQIEISA-N	323.824	3.201	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCO[C@]3(CCSC3)C2)c1	186136343	OYHOBVWRQLINDC-PBFPGSCMSA-N	323.458	3.106	10	20	DGCD	
c1nc(NCc2ccc(N3CCCC3)cc2)cc(N2CCCC2)n1	192277607	PIRDMQUOSLKAJC-UHFFFAOYSA-N	323.444	3.289	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1O	192927392	HVTZQUXOSHRFJN-CQSZACIVSA-N	310.397	3.370	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1nc2c(s1)CCCC2	193496905	JVAKVVJUHYPPBB-UHFFFAOYSA-N	317.414	3.391	10	20	DGCD	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(N)cc1	237264858	ZGUGFXSJBPYPDE-UHFFFAOYSA-N	322.330	3.489	10	20	DGCD	
CCCCN1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	273607447	URIMHRBFSPLHKX-ZDUSSCGKSA-N	321.421	3.216	10	20	DGCD	
CC[C@H](NC[C@H](c1ccco1)N(C)C)c1ccc(F)cc1O	285820588	WKEOGOQYZCQVBN-LSDHHAIUSA-N	306.381	3.468	10	20	DGCD	
COc1cc(N(C)Cc2ccncc2C)cc(OC)c1OC	295361256	JCQUHBBLAVCDPB-UHFFFAOYSA-N	302.374	3.052	10	20	DGCD	
c1csc(SCCCNc2ccc3nccnc3n2)n1	301285708	OHOAOFDCGYOXIP-UHFFFAOYSA-N	303.416	3.076	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCCCC[C@H]2C[C@@H](C)O)c1O	323673762	XHUVWLFQJKJCMI-WBMJQRKESA-N	323.408	3.249	10	20	DGCD	
COCC1(CNC2CCN(c3ccc(OC)cc3)CC2)CCC1	374376594	FOPJBFUFCAHFON-UHFFFAOYSA-N	318.461	3.070	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCN(C2CC2)c2ccccc21	588527800	SZQRDVKAUJLYCX-YVMONPNESA-N	323.371	3.250	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)CN[C@H](C)c1ccccc1O	697891560	ZAIHLIVYAPNTIU-QWHCGFSZSA-N	308.422	3.204	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=S)NC2CCCCC2)c1	728792214	IFPCODMWKKNIAH-NSHDSACASA-N	308.447	3.259	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2cccs2)c1	728983746	DWDOJJJDLWQJSF-LLVKDONJSA-N	305.399	3.272	10	20	DGCD	
CC(C)[C@@H](C)NC(=O)CN(Cc1ccccc1O)C1CCCC1	731848081	QTSWZTRWMVFWDG-OAHLLOKOSA-N	318.461	3.298	10	20	DGCD	
CN1CCCN(C(=O)/C=C/c2cccnc2)c2ccc(F)cc21	737621607	DCLJTKNJUSFHPG-VMPITWQZSA-N	311.360	3.107	10	20	DGCD	
CSCC[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2	743620697	CLVFQEARBRDFDA-LBPRGKRZSA-N	322.474	3.212	10	20	DGCD	
CCC(CC)[C@H](CCNC(=O)N(C)Cc1ccccc1O)OC	747455687	HPUNMLQEZGZCAO-KRWDZBQOSA-N	322.449	3.375	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cccc2c1CCCC2	748642306	CJMXEFNZGKITCJ-UHFFFAOYSA-N	317.410	3.380	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1	753592952	WJYRACNMHPZCBK-QGZVFWFLSA-N	301.361	3.493	10	20	DGCD	
CSc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1	755006797	QOWHDBRPOYYRJC-UHFFFAOYSA-N	318.398	3.184	10	20	DGCD	
C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCS1	755275112	PCOSWHNGXLYYCO-KBPBESRZSA-N	321.490	3.351	10	20	DGCD	
C[C@@H](OC(=O)c1cccc(O)c1O)c1ncc(C(C)(C)C)o1	758581946	QMQRCBBOWSQNBB-SECBINFHSA-N	305.330	3.301	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1nc(Cl)cs1	759074988	JCZYFVBWABVKHS-SOFGYWHQSA-N	313.835	3.253	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1	770374311	LDASYKSYUJFNBL-SUMWQHHRSA-N	320.864	3.494	10	20	DGCD	
C[C@H](NC(=O)CCOc1ccccc1)c1ccc(N(C)C)cc1	773010322	TUZVPFNTQZWEKW-HNNXBMFYSA-N	312.413	3.399	10	20	DGCD	
COCCOC[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1	773024565	IVAIAQLKDYIUIV-IRXDYDNUSA-N	320.477	3.379	10	20	DGCD	
CC(=O)Nc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1	775833793	MHSOYWPXKDGJAX-NSHDSACASA-N	318.446	3.018	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCN1Cc2ccccc2C1	790959049	VXBZRSCQFSLAST-UHFFFAOYSA-N	320.795	3.290	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2C[C@@H](O)C2(C)C)c(C(F)(F)F)c1	793095093	YJHHJBVLCKBTGO-UONOGXRCSA-N	316.367	3.020	10	20	DGCD	
COC(=O)c1csc([C@H](C)NCc2ccc3c(c2)CCO3)c1	796739312	QRRKEHGKPAOHKT-NSHDSACASA-N	317.410	3.320	10	20	DGCD	
CN(C)c1ccc(CN(Cc2cnc(Cl)cn2)C2CC2)cc1	799113675	JOYKPEVFOFRNGK-UHFFFAOYSA-N	316.836	3.361	10	20	DGCD	
CCOc1ccc(O)c(CNc2ccc(OC(F)F)nc2)c1	801739345	NNHCJPKMSAIMOP-UHFFFAOYSA-N	310.300	3.399	10	20	DGCD	
OCC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1	817419202	QYFUSGFIQZLFNC-NSHDSACASA-N	301.789	3.169	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CCC[C@@H]3CN)cc2)CC1	817901241	AFBFSGZNKUJMTB-MJGOQNOKSA-N	301.478	3.140	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](CN3CCCC3)C2)cc1Cl	824854940	DRIOFFQUEOJCLE-AWEZNQCLSA-N	308.853	3.272	10	20	DGCD	
COc1cc2c(c(OC)c1)N(CCC1CCOCC1)CCC2	839654543	IWCVRMMSULPHSN-UHFFFAOYSA-N	305.418	3.273	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]1(C)CCCCO1	839921308	CHKIEOCDLBUWDZ-BEFAXECRSA-N	318.461	3.067	10	20	DGCD	
Cc1cnc(Cl)nc1/C=C\c1ccc(N2CCOCC2)cc1	840718289	CQMDLMCNSIJNNI-DAXSKMNVSA-N	315.804	3.445	10	20	DGCD	
CC[C@H](N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1	840892791	DEYZJTAKCSDNMA-AYBZRNKSSA-N	304.478	3.397	10	20	DGCD	
CC(C)(C)c1ccncc1CNCc1cc([N+](=O)[O-])ccc1O	840958640	LQKOTLHKIZXQMN-UHFFFAOYSA-N	315.373	3.283	10	20	DGCD	
Nc1ccc(CCNC(=O)Nc2ccc3c(c2)CCCC3=O)cc1	841252304	AEQYHKMSDPBYQI-UHFFFAOYSA-N	323.396	3.152	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1SCCCS1	841403234	AKIHERGPOGYEQG-UHFFFAOYSA-N	323.483	3.083	10	20	DGCD	
COc1cc(CN(C)C[C@@](C)(O)c2ccccc2)c(O)cc1C	842622956	DKNDSYGJGRZEJC-LJQANCHMSA-N	315.413	3.049	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCN	843486770	VOURSHIPHAPIME-HNNXBMFYSA-N	312.413	3.221	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC2(C3CCC3)CC2)cc1F	844936732	ZJRLKRJRTUPLQU-UHFFFAOYSA-N	305.397	3.024	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN[C@@H]1CCCN2CCCC[C@@H]12	848927825	OIOMPURRZWRXIO-CABCVRRESA-N	312.816	3.291	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C	850558714	TXXRUSXEMGZFMP-HUUCEWRRSA-N	318.461	3.307	10	20	DGCD	
CC1CC(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	856960082	KZAFRPXDPPQSBY-UHFFFAOYSA-N	315.461	3.473	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCN(C)CC(F)F)c1O	858596944	RFWDFELNJCWBCJ-JTQLQIEISA-N	306.784	3.202	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)c1	862758957	REPVDEMIIMCMGV-ZDUSSCGKSA-N	301.361	3.335	10	20	DGCD	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(C)c1ccc(N)cc1	863557064	HJRJMQHRBPEALY-ZDUSSCGKSA-N	315.392	3.064	10	20	DGCD	
CC[C@H](C)[C@@H](CN(C)Cc1ccc(N2CCOCC2)cc1)OC	876551290	OLWFFJGUMGYYLU-QFBILLFUSA-N	320.477	3.016	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC[C@@H]3C3CCC3)cc2)CC1	876659626	CHDQSPZLGUSUBY-HXUWFJFHSA-N	314.473	3.412	10	20	DGCD	
CCCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(N)cc1	877034251	CRTXFIYDSUTDGJ-UHFFFAOYSA-N	312.413	3.259	10	20	DGCD	
Cc1ccc(CNCCCC(=O)N2Cc3ccccc3C2)c(O)c1	877046616	NABKFGBENTUOEF-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
Cc1cccc(O)c1CN[C@H](C)CCNC(=O)OC(C)(C)C	877506386	VYPATDMOILAAFT-CYBMUJFWSA-N	308.422	3.094	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCc3cccnc3CC2)c1	877533483	PAFJSEXEQPFUCI-HIFRSBDPSA-N	312.413	3.394	10	20	DGCD	
C[C@@H](O)C[C@@H](CNCc1cc(F)cc(F)c1O)c1ccccc1	883041396	LDUYVTKOAIICJY-OCCSQVGLSA-N	321.367	3.315	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H](CF)C1	883140333	QJAAJMXNMOVFPQ-MRXNPFEDSA-N	319.424	3.178	10	20	DGCD	
COc1cc(C)cc(CNc2ccc([S@@](C)=O)c(F)c2)c1O	894132155	URKWSLGZROILMX-JOCHJYFZSA-N	323.389	3.198	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2CCO[C@H](CC(C)C)C2)c1O	894375397	KGRLFYJZQDNBOH-JKSUJKDBSA-N	307.434	3.393	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@@](O)(c2ccccc2)C1	895391988	IVDIPFVNSHMUPB-SFHVURJKSA-N	319.351	3.154	10	20	DGCD	
Cc1ccc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1	898452498	YZGCQBOGJSXJBI-SFHVURJKSA-N	301.434	3.047	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CC2CCCCC2)C(=O)O)cc1F	901771977	NVOJMGLLVDIREE-INIZCTEOSA-N	322.424	3.405	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1cnc(NC2CC2)s1	911897164	HFLHPZGXCBVZMX-UHFFFAOYSA-N	323.805	3.006	10	20	DGCD	
C[C@](O)(CNCc1c(O)cccc1Cl)c1cccc(F)c1	922563845	MLEWYMBNDQAZKP-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
CCc1cccc(NC(=O)CN(C)c2ccc(OC)c(F)c2)c1	1116254841	GLAFLUCDBKWVAY-UHFFFAOYSA-N	316.376	3.472	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@@]2(C)CCO[C@H]2C2CC2)cc1F	1351328574	GBHAKFOLVFKIGP-ZWKOTPCHSA-N	324.415	3.326	10	20	DGCD	
COC(=O)C1(c2ccc(CN(C)c3ccc(N)cc3)cc2)CC1	1578782780	HFXLDAJNRGTXJJ-UHFFFAOYSA-N	310.397	3.110	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@@H](C(=O)O)c3ccccc32)cc1C	1594094379	IZMAGBPSZVEUCA-SJORKVTESA-N	311.381	3.406	10	20	DGCD	
C[C@@H](N[C@H](CO)CC1CCCCC1)c1cc(C(=O)O)ccc1O	1609778740	XOVKTELEQVZKEF-DOMZBBRYSA-N	321.417	3.072	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC(C1CC1)C1CC1	45613802	KFHSYMKNRVFUMC-UHFFFAOYSA-N	301.434	3.083	10	20	DGCD	
O=C(CCSc1nccs1)Nc1ccc([N+](=O)[O-])cc1	48874151	HNRSKDYLFHWOQM-UHFFFAOYSA-N	309.372	3.172	10	20	DGCD	
CCSCC[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	93870950	CAMAVNKXZJJEBI-MRXNPFEDSA-N	322.518	3.487	10	20	DGCD	
C[C@H](C(=O)Nc1cc(F)ccc1F)N(C)Cc1ccccc1O	109770791	NAVGWNNHNVRZBY-LLVKDONJSA-N	320.339	3.129	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2csc3c2CCCC3)c1	114543809	RLRXIWZXAZBGEO-UHFFFAOYSA-N	317.410	3.271	10	20	DGCD	
CC[C@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1C	115280546	PFUFIXFKJZBEQH-SFHVURJKSA-N	318.461	3.415	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](C)Cc2ccccc2F)c1O	131033239	DQXBKIDRIIUKPH-GFCCVEGCSA-N	317.360	3.035	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)noc2C2CC2)c1	133294214	FIKYXTZCGXJAPZ-SECBINFHSA-N	316.357	3.066	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H](c2ccccc2)C(C)C)c1	173580842	CENMJYPAZXINRS-SFHVURJKSA-N	313.397	3.457	10	20	DGCD	
O=C(NC[C@@H]1CCCN(Cc2ccccc2O)C1)c1ccccc1	179566913	MDIWJHYUMHKNBN-INIZCTEOSA-N	324.424	3.034	10	20	DGCD	
CCOc1ccc(O)c(CN(CCO)Cc2ccc(C)cc2)c1	180844798	NXUOORITEVKKHW-UHFFFAOYSA-N	315.413	3.094	10	20	DGCD	
COCCCN(C)CCN[C@@H](C)c1ccc2ccccc2c1O	185553917	FJLYKQFYXHYYCU-HNNXBMFYSA-N	316.445	3.164	10	20	DGCD	
CC(C)(C)OCc1cc(CNCc2cc(F)ccc2O)no1	188659217	OEFBTLLQHRKPLT-UHFFFAOYSA-N	308.353	3.124	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1ccc(F)cc1O	227689478	OZIQXJSTGMAOHJ-GHMZBOCLSA-N	312.385	3.095	10	20	DGCD	
COc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1	237302054	COUAKROLGFYMGB-SFHVURJKSA-N	310.397	3.184	10	20	DGCD	
COc1ccc(O)c(CNc2cc3c(cc2Cl)OCCO3)c1	237363176	ROFGJCTXROALGR-UHFFFAOYSA-N	321.760	3.438	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@H](C)CCO)c2C)c1	268900441	UEVYRGRUSJLDDJ-CQSZACIVSA-N	314.429	3.151	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@H](CO)Cc2ccc(F)cc2)c1	273437596	XNPCJOZMIJQNEX-GOEBONIOSA-N	317.404	3.342	10	20	DGCD	
COc1ccc(F)cc1CNCc1ccc(N(C)C)c(F)c1	275073108	XTNLXJFAUIPQNU-UHFFFAOYSA-N	306.356	3.329	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2cccnc2C)cc1	285186417	RSRDKCAUSPPKLQ-UHFFFAOYSA-N	311.429	3.095	10	20	DGCD	
CC[C@H](NCC1(COC)CCOCC1)c1ccc(C)cc1O	293800387	UXJUCLLILMJCMU-INIZCTEOSA-N	307.434	3.185	10	20	DGCD	
COC[C@@]1(C)CCN(Cc2cc(Br)ccc2O)C1	294122715	DURQLAYEUGVFEZ-AWEZNQCLSA-N	314.223	3.013	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H](c1ccco1)N1CCCC1)CC2	296199987	YWDVIJUBWJBULJ-CVEARBPZSA-N	312.413	3.399	10	20	DGCD	
C[C@@H]1[C@H](C(=O)NCc2cccc(Br)c2O)[C@H]1C1CC1	529170890	MAPQNCOENCBMRG-CKLFPEKLSA-N	324.218	3.063	10	20	DGCD	
CCc1cccc(NC(=O)CNCc2cc(C)c(C)cc2O)c1	742370788	MWBZGEMAUBFEBF-UHFFFAOYSA-N	312.413	3.300	10	20	DGCD	
CC(C)C1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CC1	753346341	WPFPYDIOLSSTSQ-UHFFFAOYSA-N	307.413	3.127	10	20	DGCD	
Cc1ccc(NC(=S)NCc2cccc(N(C)C)n2)c(C)c1	754693790	YKKKPJZTEJQJRR-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(F)cc2OC)c1	756791916	HBNMHTWCBUMABC-JTQLQIEISA-N	319.332	3.500	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(OC)c(F)c2)c1	756800637	ALHGRIOUHYXHIL-SNVBAGLBSA-N	319.332	3.500	10	20	DGCD	
CCN(CCCO)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	757198581	IFMHYPBBUCFUQF-UHFFFAOYSA-N	314.429	3.247	10	20	DGCD	
CC(C)(F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	769250251	SZLODFFNZUIMEW-UHFFFAOYSA-N	311.312	3.149	10	20	DGCD	
C[C@@H](N1CCN(Cc2c(O)cccc2Cl)CC1)C(F)(F)F	769554310	NFVGKFQXTRFWFI-SNVBAGLBSA-N	322.758	3.114	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(OC)c2F)c1	769980442	MCBKBWPCEVBEBB-JTQLQIEISA-N	319.332	3.500	10	20	DGCD	
CC(C)C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775689319	CRXWFEJGXNNIDD-IBGZPJMESA-N	315.505	3.306	10	20	DGCD	
COc1ccc(O)c(CNCc2cc(-c3ccccc3)on2)c1	776151596	QJHOPYKXSRMHBH-UHFFFAOYSA-N	310.353	3.346	10	20	DGCD	
CC(Cl)(Cl)C(=O)NCc1ccc(N2CCCCC2)cc1	777372485	JVGYSUZUHSPXBA-UHFFFAOYSA-N	315.244	3.487	10	20	DGCD	
O=C(NCc1ccccc1O)NCc1ccc(Cl)cc1F	777651370	SVNPMKDUKOHRAZ-UHFFFAOYSA-N	308.740	3.184	10	20	DGCD	
CN1CCN(c2ccc(CN3CCc4ccccc43)cc2)CC1	779431597	MLWHQCNFMWFFGC-UHFFFAOYSA-N	307.441	3.001	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC(OC(F)F)C2)cc1	781207312	VPRPXEDQQQZINI-UHFFFAOYSA-N	320.339	3.158	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](CCOC)Cc2ccco2)c1	784625935	QPELHOZNYFHNJY-OAHLLOKOSA-N	319.401	3.121	10	20	DGCD	
CC[C@]1(C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1	785585959	SQQLQOWJIUELFM-RDTXWAMCSA-N	319.449	3.024	10	20	DGCD	
CC[C@H](C)CC[C@@H](O)CC(=O)N(C)Cc1ccc(N(C)C)cc1	792878346	QJSDBBFASOBZPC-MAUKXSAKSA-N	320.477	3.288	10	20	DGCD	
C[C@H]1OCC[C@@]1(C)NCc1ccc(N(C)C)cc1C(F)(F)F	793073604	LXMCFXPLMKUIBJ-IAQYHMDHSA-N	316.367	3.429	10	20	DGCD	
CC[C@H](NC[C@@H](O)COc1ccccc1)c1ccc(C)cc1O	794794876	RQOAHUCEXTUOOO-QAPCUYQASA-N	315.413	3.181	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCC1CCC(F)(F)CC1	800741984	NIRZFLNHLKERBZ-UHFFFAOYSA-N	312.360	3.359	10	20	DGCD	
Cc1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)s1	807837473	RICJNABCQWVRAM-UHFFFAOYSA-N	317.197	3.394	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2COc3c(C)cccc3C2)c1	810259606	NFOJSVDPCHHIOD-ZFWWWQNUSA-N	313.397	3.364	10	20	DGCD	
Cc1ccoc1CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	814175389	UROKDFAPEGPECX-UHFFFAOYSA-N	310.737	3.487	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CNC2)c1cc(F)cc(F)c1O	817967667	AGXAPKNRHYPUNV-SNVBAGLBSA-N	304.340	3.124	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3ccoc3C)C2)cc1	818221048	KTQSUVGTVMOZOD-OAHLLOKOSA-N	300.402	3.213	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)c3ccoc3)C2)cc1	818345793	YCSINUYHZWLZCK-HUUCEWRRSA-N	300.402	3.465	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC[C@@H]1CC1(Cl)Cl	820450606	LCJAJQJMDMNQQV-WUWIAWFRSA-N	317.168	3.238	10	20	DGCD	
C[C@@H](O)C1(NCc2ccc(N(C)Cc3cccs3)cc2)CC1	827586419	XGNNFWFISQZWSC-CQSZACIVSA-N	316.470	3.388	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNc2nncn2C)cc1	834475297	PRZNOVVSFYPQJO-UHFFFAOYSA-N	313.430	3.125	10	20	DGCD	
CC[C@H](NCc1nn(C)cc1Cl)c1ccc(N(C)C)cc1	834882526	KVSKJBWKTAZMEH-HNNXBMFYSA-N	306.841	3.380	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc(C(F)F)cc2)cc1	841040922	CQBRJWMFUJOVFT-QGZVFWFLSA-N	319.399	3.480	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CO1	842776149	SESBLGMBKGKNAL-JQWIXIFHSA-N	302.340	3.038	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O	842885376	ONBGYXGQQOQXRO-ZIAGYGMSSA-N	324.852	3.486	10	20	DGCD	
CCC[C@H](C)S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	845824738	FFDPKKUPHIVSCN-AWEZNQCLSA-N	324.490	3.235	10	20	DGCD	
COc1cc(CNCC2CCN(C)CC2)c(O)c(C(C)(C)C)c1	850118022	DOZUEQWMYDEPFX-UHFFFAOYSA-N	320.477	3.130	10	20	DGCD	
COc1cc(CN[C@@H]2CCC[C@H]2CCO)c(O)c(C(C)(C)C)c1	850252822	HLVUILHFRNVWKC-SUMWQHHRSA-N	321.461	3.339	10	20	DGCD	
COc1cc(CNC[C@H]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1	850295497	WKLQROJFJHHODY-UONOGXRCSA-N	321.461	3.461	10	20	DGCD	
Cc1ccc(N2CCN(C(=O)c3cc(O)cs3)CC2)c(C)c1	856365118	YMEATCGZZPJZPB-UHFFFAOYSA-N	316.426	3.033	10	20	DGCD	
CCC(O)(CC)CN(C)Cc1c(O)cccc1Br	862538564	ALSHDLPYAGXPLW-UHFFFAOYSA-N	316.239	3.138	10	20	DGCD	
C[C@@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccccc1O	868412931	MCULUWYOOZWMOB-SNVBAGLBSA-N	317.414	3.287	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc(N2CCC(O)CC2)cc1	876821667	NKNPJBBYIJGKJF-UHFFFAOYSA-N	312.413	3.274	10	20	DGCD	
COCCOc1cc(C)ccc1CNCc1c(C)cccc1O	877110002	VYFXVRNDCARYNC-UHFFFAOYSA-N	315.413	3.324	10	20	DGCD	
COCCOCc1cccc(NCc2cc(F)cc(F)c2O)c1	882908566	WRHXGIBLSKNNAV-UHFFFAOYSA-N	323.339	3.446	10	20	DGCD	
COc1cc(O)c(CNc2ccc3c(c2)C[C@H](C)O3)cc1OC	897114658	QXEZREHJKMBTMS-NSHDSACASA-N	315.369	3.345	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)c1ncc(C(=O)O)s1	900042063	ZIVHMJYPXQHMQE-SNVBAGLBSA-N	318.398	3.017	10	20	DGCD	
CC[C@@]1(C(=O)O)CCCN(Cc2ccc(N(C)C)cc2C)C1	904398796	TUHZFNLWEXOTRC-GOSISDBHSA-N	304.434	3.138	10	20	DGCD	
CCN(C)c1ccc(CN2CCn3nc(C4CC4)cc3C2)cc1	932603224	PSKBOSGDCKBTRH-UHFFFAOYSA-N	310.445	3.232	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCS[C@H](C)[C@@H]1C	1263010824	JIPBPNTZPALOBK-VHSXEESVSA-N	324.475	3.062	10	20	DGCD	
CCOC(=O)[C@@H](NCc1ccc(N2CCCCC2)cc1)C1CC1	1320793821	YUECWSLWVRKALS-SFHVURJKSA-N	316.445	3.108	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC[C@H](C)O)c1	1329416473	CVXXXBZKEBPOAJ-ZDUSSCGKSA-N	320.820	3.248	10	20	DGCD	
CN1CCCc2cc(CNCc3csc(C(=O)O)c3)ccc21	1598603414	ILDWFOMVQYQVJD-UHFFFAOYSA-N	316.426	3.119	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NOCc1ccccc1	66703679	BRFKUZMQFVBGDD-UHFFFAOYSA-N	314.385	3.446	10	20	DGCD	
CC(C)Oc1cccc(CC(=O)N(C)Cc2ccccc2O)c1	70822464	DWZUMPVBSJLDLQ-UHFFFAOYSA-N	313.397	3.381	10	20	DGCD	
COc1ccc(N2CCCN(Cc3ccsc3)CC2)cc1	92380851	OWIZVIGMOOFCAC-UHFFFAOYSA-N	302.443	3.469	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2OC)c1	103503322	DVYPDWVMBOGQEZ-LLVKDONJSA-N	316.357	3.292	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCc2cccc(Cl)c2)c1	114582050	JOKBAYMZXVFAJX-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C[C@H]1OCCc2ccccc21	115710027	HZMICLSQISCJON-GOSISDBHSA-N	311.381	3.055	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)C[C@@H](C)O)c2C)c1	125997581	OJYIKJYGVHKIGB-OAHLLOKOSA-N	314.429	3.164	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCN(c2cccs2)CC1	131362045	HUKGBUSMCMHADG-UHFFFAOYSA-N	308.834	3.429	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(Br)ccc1F	133762343	AEZOOSDHQBANMJ-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)COC3)cc1	147121628	MFZAFDMICNPXBD-UHFFFAOYSA-N	324.424	3.493	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	183511340	ZTTMKZAPVBBZKB-QWHCGFSZSA-N	306.406	3.052	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCC(=O)N2CCCCCC2)c1	185251467	RHPCTCZVFSHGOQ-HNNXBMFYSA-N	304.434	3.144	10	20	DGCD	
Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)/C=C\c1cncc(F)c1	255382348	YCMDNZMEDUQGCJ-AGLBCWCQSA-N	312.344	3.356	10	20	DGCD	
Oc1ccccc1CN(Cc1nccs1)C[C@H]1CCCO1	269735708	ZQVZTIQJOPQATO-CQSZACIVSA-N	304.415	3.030	10	20	DGCD	
C[C@@H](N[C@H]1CCc2c(O)cccc21)c1cc([N+](=O)[O-])ccc1O	273469106	FGJVEUUEOGMTHC-BMIGLBTASA-N	314.341	3.344	10	20	DGCD	
CCc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1O	278559868	BATNKTVNWGTHJV-UHFFFAOYSA-N	302.330	3.484	10	20	DGCD	
CC(C)N(Cc1ccccc1O)C[C@@H](O)COc1ccccc1	278801921	XSHYQJJRLPGMMT-QGZVFWFLSA-N	315.413	3.043	10	20	DGCD	
CCO[C@@H](CCN(C)C)CN[C@@H](C)c1c(C)cc(C)cc1O	284297109	YKELALAXAUHOJN-HOTGVXAUSA-N	308.466	3.016	10	20	DGCD	
CCNC(=O)[C@H](C)N[C@@H](CC)c1cc(Cl)cc(Cl)c1O	286887828	ISNOPZHSIWHQAA-UFBFGSQYSA-N	319.232	3.264	10	20	DGCD	
CCOC1(C)CCN(Cc2cc(Cl)cc(OC)c2O)CC1	292747832	IEVGRKCBYNDMDO-UHFFFAOYSA-N	313.825	3.445	10	20	DGCD	
CCc1nc(C)c(C(=O)NCc2c(O)ccc3c2CCCC3)o1	293660298	JBHSRTDCJCIQSJ-UHFFFAOYSA-N	314.385	3.060	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1ccc(N3CCOCC3)cc1)CC2	295804959	CKNCQTPLLAZKIB-SFHVURJKSA-N	324.424	3.006	10	20	DGCD	
C[C@@H](CCCCO)N[C@@H](C)c1cc(Br)ccc1O	296236011	CGSSYTUOFFSJGO-QWRGUYRKSA-N	316.239	3.356	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1nc2c(s1)CCCC2	299592944	UFKREZNNHUXCSO-UHFFFAOYSA-N	303.387	3.049	10	20	DGCD	
Oc1ccccc1CNCCc1cccc(Br)c1	313739137	LTUSEWZLWSUCSP-UHFFFAOYSA-N	306.203	3.487	10	20	DGCD	
C[C@@H](Nc1cccc(C(=O)N(C)C)c1)c1cc(F)ccc1O	317049584	SHSOALXVARNVTG-LLVKDONJSA-N	302.349	3.406	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC3(CCCC3)C2)c([N+](=O)[O-])c1	323793365	JEWJBJDCSNVXOW-GQCTYLIASA-N	316.357	3.463	10	20	DGCD	
CCN(Cc1cccc(Br)c1O)C[C@H](C)OC	383212534	KDPIQTVKCZZQMK-JTQLQIEISA-N	302.212	3.012	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Br)ccc2O)[C@@H](C)CO1	403839923	SGZROYZOKZFVJK-GXFFZTMASA-N	314.223	3.154	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C	528829554	YBWVVNVXOZKWGW-LOUJCGABSA-N	305.418	3.190	10	20	DGCD	
CC(C)(O)C(C)(C)CNCc1c(O)cccc1Br	706863881	WKABHDHRKHKSDH-UHFFFAOYSA-N	316.239	3.041	10	20	DGCD	
CN(CCc1ccc(Cl)cc1)Cc1cc2c(cc1O)OCO2	733299842	OXKGQNYFLYHLOP-UHFFFAOYSA-N	319.788	3.449	10	20	DGCD	
Cc1oc(-c2cccs2)nc1C(=O)NCc1ccccc1O	748346011	UKXOMHJHLDNIDN-UHFFFAOYSA-N	314.366	3.347	10	20	DGCD	
Cc1cc(C(=O)COC(=O)c2cc[nH]c2)c(C)n1-c1ccccc1	750499621	WEWYRBJNPIAOOK-UHFFFAOYSA-N	322.364	3.462	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ncc(C)cc1OC	754653770	CMXBWACEUZBTQV-UHFFFAOYSA-N	314.385	3.157	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)CCc2ccco2)c1	756357803	PSFBNMXPKQVUFJ-QWHCGFSZSA-N	317.385	3.444	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2sc(C)nc2C)c1	756615061	VKWBRPJRQVMNNT-SECBINFHSA-N	320.414	3.103	10	20	DGCD	
CC(=O)c1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1	765335977	BRGYRKNULBVQLH-UHFFFAOYSA-N	322.408	3.202	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCc3cc(O)ccc3C2)cc1F	767729862	WJTGXVIBWZHPNI-INIZCTEOSA-N	314.404	3.244	10	20	DGCD	
CN1CCC[C@H](CN(C)Cc2ccc(N3CCCCC3)cc2)C1	768546297	IIHHNFLCIZKFQL-IBGZPJMESA-N	315.505	3.451	10	20	DGCD	
CC(C)N(Cc1nc(O)c2ccccc2n1)Cc1ccccc1O	770508688	DZSJTPHWQJQOPF-UHFFFAOYSA-N	323.396	3.452	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccsc1)c1ccc(N(C)C)cc1	773185138	NCEBCWJWHCEEDK-GFCCVEGCSA-N	303.431	3.375	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2ccc(C)s2)c1O	774875547	KNKBROMXNKLJNC-UHFFFAOYSA-N	322.386	3.311	10	20	DGCD	
Cc1ccc(O)c(CNCc2cccc(Br)c2O)c1	775152267	NCBJFRRRROLEKX-UHFFFAOYSA-N	322.202	3.459	10	20	DGCD	
CC[C@@H](NCCCNC(=O)C(C)C)c1cc(Cl)ccc1O	775525114	XZSIEGQHCBHMMB-CQSZACIVSA-N	312.841	3.249	10	20	DGCD	
Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(C)c(O)c1O	780933452	MXURPRUWWQFVHA-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
CCOc1ccc(N(C)Cc2nccc(OC)c2OC)cc1	789325901	JTGLOIMFJUZAQL-UHFFFAOYSA-N	302.374	3.134	10	20	DGCD	
CC[C@@H](NCCCN1C[C@H](C)O[C@H](C)C1)c1ccc(C)cc1O	794789926	BAIYDMKMMUSVFF-SOLBZPMBSA-N	320.477	3.241	10	20	DGCD	
C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1	804870719	GUJGERKPGUURRU-SSDOTTSWSA-N	303.189	3.297	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(F)c(F)c1	808095541	ITGHHAOAWGMAQM-UHFFFAOYSA-N	312.312	3.086	10	20	DGCD	
CC(C)CC1(C)CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	808231935	ROWQWARTEILUCS-QGZVFWFLSA-N	319.445	3.466	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H]1CCCNC1)c1cccc(C(F)(F)F)c1O	817948100	VETXXUYJDWRKRF-SRVKXCTJSA-N	316.367	3.450	10	20	DGCD	
CC(C)C[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	817997471	QJDYALIFPMWADY-LBPRGKRZSA-N	317.458	3.481	10	20	DGCD	
COC[C@@H](CC(C)C)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	818345242	SKNWILWCOVQIEH-DLBZAZTESA-N	320.477	3.172	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC2=NC[C@H](C)S2)cc1	819764297	TTWNDZGKKVIMHG-ZDUSSCGKSA-N	313.426	3.315	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O	824723077	ZYGCZFHAPFBVLG-KCPJHIHWSA-N	313.800	3.310	10	20	DGCD	
COCCCn1cc(C)c(NCc2cc(C)c(C)cc2O)n1	830492026	NPLHTWDFUCQZFW-UHFFFAOYSA-N	303.406	3.163	10	20	DGCD	
CC(C)CCCCC(=O)NCc1ccc(N2CCOCC2)cc1	837358934	DEPLYJUADNIAAT-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
CC[C@@H](NCc1cccc(Br)c1O)[C@@H](O)C(C)C	840966466	FYGVANRZJIEZPT-OLZOCXBDSA-N	316.239	3.040	10	20	DGCD	
CC(=O)Nc1ccccc1CN1CCCc2cc(CN)ccc21	843057957	INPCQEBPWPNIEO-UHFFFAOYSA-N	309.413	3.057	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cnc3cccc(C)n23)c1	845973370	YKNYNWAHUMJZSA-ZDUSSCGKSA-N	311.385	3.208	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](O)c2ccccc2Cl)c1O	846154005	IMIIJTLEYDOLRW-XHDPSFHLSA-N	321.804	3.438	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](O)c2cc(C)cc(C)c2)c1O	846168329	SEPISCSRWPZLDZ-RHSMWYFYSA-N	315.413	3.402	10	20	DGCD	
Cc1ccc(C(=O)NCCC[C@H]2CC2(Cl)Cl)c(O)c1O	846585906	AMDNQZHCSLWBOA-VIFPVBQESA-N	318.200	3.110	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc(F)cc(F)c1O)C(=O)OC(C)(C)C	848562107	HCOYTYKUXPWYNG-NXEZZACHSA-N	315.360	3.299	10	20	DGCD	
CN(C)c1ccc(CNC(=N)Nc2cc(F)ccc2F)cc1	849081273	PNHVCBXBPGBSHF-UHFFFAOYSA-N	304.344	3.167	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(O)c1C	850501896	QYVZXGHXCUMUHX-WPLACJGDSA-N	309.475	3.349	10	20	DGCD	
CC[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1ccccc1O	852441550	BOPJETDRFNLJQC-INIZCTEOSA-N	316.376	3.352	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1cnccc1C	854374089	PDHJOCYUQILECR-UHFFFAOYSA-N	312.413	3.467	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1CC(F)F)c1ccc(Cl)cc1O	858480391	SPHDAAJQPBNKGL-ZYHUDNBSSA-N	318.795	3.426	10	20	DGCD	
COC(=O)CCCCN(Cc1ccccc1O)C1CCCC1	859139414	NJYVUMCYCTXQMH-UHFFFAOYSA-N	305.418	3.480	10	20	DGCD	
CCCOCCOC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	859192048	HVCJQVPFFJIQEI-HNNXBMFYSA-N	322.449	3.145	10	20	DGCD	
Cc1ccc(CO[C@H](C)C(=O)N(C)Cc2ccccc2O)cc1	860048765	DBUPSWUBYYPNPN-OAHLLOKOSA-N	313.397	3.264	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CCO[C@]3(CCOC3)C2)cc1C	873100430	UCBCFJZJUMRGRC-PKOBYXMFSA-N	319.445	3.212	10	20	DGCD	
Cc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)c(O)c1	876790809	YDHTUFIIDWQUGH-GOSISDBHSA-N	319.445	3.251	10	20	DGCD	
Cc1ccc(CNCCc2cc(C(F)(F)F)ccn2)c(O)c1	877552062	PKANPVRQWFMSMU-UHFFFAOYSA-N	310.319	3.447	10	20	DGCD	
Cc1ccc(C)c(OC[C@@H](O)CN[C@H](C)c2ccccc2O)c1	879648897	FVSABJYJMPTMMX-CVEARBPZSA-N	315.413	3.100	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](O)c2ccccc2Cl)c1O	894289153	IODBHTXLRAHZEI-OAHLLOKOSA-N	321.804	3.186	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(CCO)cc2)c2c(O)ccc(F)c21	903404257	YZPGHRWSWOTEPB-WBMJQRKESA-N	315.388	3.404	10	20	DGCD	
Cc1cc(C(=O)OCCCO)c(C)n1-c1ccc(Cl)cc1	919520639	ATBHZONAUJHXCI-UHFFFAOYSA-N	307.777	3.287	10	20	DGCD	
CC[C@H](C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@@H]1C	1074536331	PJTFFBUMTVGXSH-QRTARXTBSA-N	318.461	3.129	10	20	DGCD	
CN(C)[C@H]1CCCC[C@H]1NCc1ccc(N2CCCC2)cc1	1116032460	JSZVZRUJCKWTJO-MOPGFXCFSA-N	301.478	3.249	10	20	DGCD	
Cc1cccc2nc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cn12	1324138619	HUQAVGSDWHWDRZ-AWEZNQCLSA-N	322.412	3.200	10	20	DGCD	
CCCN(Cc1ccc(N2CCCC2)cc1)C1CCNCC1	1349321146	YAOXXPPKCLKYRC-UHFFFAOYSA-N	301.478	3.251	10	20	DGCD	
COc1ccc(C)cc1CN[C@H](C)c1cc(C(=O)O)ccc1O	1599534718	RYTRTFFIQQTRTF-GFCCVEGCSA-N	315.369	3.258	10	20	DGCD	
CN(CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccccc1O	109772751	UUJJAMVDLCAPJP-UHFFFAOYSA-N	324.424	3.015	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1F	108958795	XZUYBCPQAJFTLW-ZDUSSCGKSA-N	300.377	3.312	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CC=CCC1	69109187	DCYLFLRBKXDVQC-INIZCTEOSA-N	313.445	3.442	10	20	DGCD	
COc1ccc(CNCc2ccnc(N3CCCC3)c2)cc1C	75761240	IJNQWGMIAVBLEI-UHFFFAOYSA-N	311.429	3.289	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C/c2ccc(Cl)s2)c1	178285082	FORZSROWZZRHAK-QPJJXVBHSA-N	323.801	3.445	10	20	DGCD	
CCN(C(=O)CN(C)c1ccc(OC)c(F)c1)c1ccccc1	121740420	FFVMPOHKEIHPSA-UHFFFAOYSA-N	316.376	3.324	10	20	DGCD	
C[C@@H](NCCc1cccnc1)c1cc(Br)ccc1O	184980147	OIVYIWSQUBVKES-LLVKDONJSA-N	321.218	3.443	10	20	DGCD	
Cc1ccc(-c2n[nH]cc2CNCc2ccc(N(C)C)cc2)o1	48040705	IZQAZCQVILQIAA-UHFFFAOYSA-N	310.401	3.334	10	20	DGCD	
C=Cn1cc(CNCc2ccc(N(CC)CC)c(F)c2)cn1	194303809	SFJXMFCZPODHIR-UHFFFAOYSA-N	302.397	3.259	10	20	DGCD	
COc1ccc(N(C)CC2CCC3(CC2)OCCO3)c(OC)c1	190308432	MUAXVSSJTGDSFT-UHFFFAOYSA-N	321.417	3.073	10	20	DGCD	
CCn1ncnc1CN(c1ccc(OC)cc1)[C@H](C)C1CC1	193426300	BDBUTVHWXLTVAL-CYBMUJFWSA-N	300.406	3.112	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@](C)(CO)C2)cc1F	93340751	UOHSCFNUHNTPIU-SFHVURJKSA-N	308.441	3.266	10	20	DGCD	
CCCCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1(C)C	236862655	FKGKIHLAHCHUIP-SJORKVTESA-N	318.461	3.254	10	20	DGCD	
COc1cccc(CNC(=O)CC2(c3ccccc3)CC2)c1O	528860660	JTCJBGKLZVYSIC-UHFFFAOYSA-N	311.381	3.139	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H](C)C(F)(F)F)n(C)c2ccccc12	355638213	MRILTXRQICYBEP-JTQLQIEISA-N	313.323	3.237	10	20	DGCD	
COc1cc(N2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC	275992992	FRKGAYGJFRWGAE-UHFFFAOYSA-N	324.377	3.006	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ccccc2Cn2cncn2)c1	273303163	CDEVBTOEYPWJOP-OAHLLOKOSA-N	322.412	3.191	10	20	DGCD	
COCc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1	274798555	OBAMAXFAUWIRCI-LBPRGKRZSA-N	305.447	3.206	10	20	DGCD	
CC[C@@H](C)[C@@H](C)C(=O)NCc1cccc(Br)c1O	277582073	RMEMWLKHSCZWJB-NXEZZACHSA-N	314.223	3.453	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O	289721580	JRAFFRCNDZSJDC-WBVHZDCISA-N	321.392	3.123	10	20	DGCD	
CC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccc(F)cc1O	286272605	VKDNANPSKDEJNG-MRXNPFEDSA-N	316.376	3.132	10	20	DGCD	
OC[C@]1(NCc2cccc(Cl)c2O)CCCc2ccccc21	282119361	AQPHAUNQUDQVRU-GOSISDBHSA-N	317.816	3.359	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCNC(=O)CC1	294961985	KBZITEGSFFMLLI-ZDUSSCGKSA-N	315.442	3.096	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)CN2CCCC2=O)c1O	808679316	KSFNYWHHWBNIRS-RYUDHWBXSA-N	310.825	3.016	10	20	DGCD	
COC[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccc(C)o1	294729583	WDZUVFZWHBOPKH-INIZCTEOSA-N	302.418	3.440	10	20	DGCD	
CC[C@@H](SC)C(=O)NCc1cc(Cl)cc(Cl)c1O	807837123	BYURNJQURQEPMQ-SNVBAGLBSA-N	308.230	3.457	10	20	DGCD	
CCN[C@H](C)CN[C@H](CC)c1ccc(C(F)(F)F)cc1O	817973789	WPFMSKLOTJDCQP-ZWNOBZJWSA-N	304.356	3.450	10	20	DGCD	
CCOc1cccc(NCc2cc(OC)ccc2O)c1[N+](=O)[O-]	811805609	XVMFMWKGADYQCX-UHFFFAOYSA-N	318.329	3.320	10	20	DGCD	
C[C@@H](NCCOCC1CC1)c1cccc(C(F)(F)F)c1O	815577998	FGWQZQSHWJIYPH-SNVBAGLBSA-N	303.324	3.488	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2)c(O)c1	815571877	PEMQXWDXPRAWDY-OLZOCXBDSA-N	316.367	3.296	10	20	DGCD	
CCOC[C@H](O)CNc1cc2oc3ccccc3c2cc1OC	819399433	WDAQYNPZQIONTI-GFCCVEGCSA-N	315.369	3.404	10	20	DGCD	
CC[C@H](NC[C@@H]1CCCN1)c1ccc(Cl)c(Cl)c1O	817952633	RYNBLUBQXZHACU-CABZTGNLSA-N	303.233	3.492	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CCCc3cccc(Cl)c32)cn1	726367922	KKKYJWMAZAXPLC-BQYQJAHWSA-N	301.777	3.066	10	20	DGCD	
CC(C)OC(=O)[C@H](C)NCc1ccc(N2CCCCC2)cc1	825117598	HYAGNMDHOJVMLX-HNNXBMFYSA-N	304.434	3.107	10	20	DGCD	
Cc1cc(CNCc2ccc3c(c2)CCCO3)ccc1C(=O)O	900041941	WLUMLOVWVLJACY-UHFFFAOYSA-N	311.381	3.308	10	20	DGCD	
CO[C@H]1C[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C12CCC2	832208423	ACAMHAJXFAAOEN-HOTGVXAUSA-N	321.392	3.123	10	20	DGCD	
CC[C@@H](SC)C(=O)NCc1ccc(N2CCCCC2)cc1	746840047	XSLVGLZBIILTKL-MRXNPFEDSA-N	306.475	3.435	10	20	DGCD	
CCN(CC1CC1)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840478938	KJNJXASIWKKJQK-HNNXBMFYSA-N	317.477	3.434	10	20	DGCD	
CCO/C=C\C(=O)NCc1ccc(N2CCC(C)CC2)cc1	847474010	DLPXEIZNOMYHES-RAXLEYEMSA-N	302.418	3.089	10	20	DGCD	
C[C@@H]1C[C@@H](NCCc2ccc(N)cc2)CCN1Cc1ccccc1	841037181	YYBGEDFZLWCHNS-UTKZUKDTSA-N	323.484	3.454	10	20	DGCD	
C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](c2ccccc2)O1	841301250	HDQLFEVMUMDOSY-GUYCJALGSA-N	311.385	3.263	10	20	DGCD	
COc1cc(CNC[C@@H](O)c2ccco2)c(O)c(C(C)(C)C)c1	850023057	YOHQRBCERMQZIY-OAHLLOKOSA-N	319.401	3.115	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC2(C)CCCCC2)c1	757693035	DVPZVEKWEDYIPP-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
COc1cc(CNCCc2nccs2)c(O)c(C(C)(C)C)c1	850101361	JFTSCGPPVVJXMO-UHFFFAOYSA-N	320.458	3.487	10	20	DGCD	
COC(=O)[C@H](CC1CCCCC1)NCc1cc(C)ccc1O	756147498	RXIKOMXRSYJWOK-INIZCTEOSA-N	305.418	3.302	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](C)CCC(=O)O)cc1F	756314444	ZINKSLCASVJPKJ-ZDUSSCGKSA-N	310.413	3.262	10	20	DGCD	
CC(=O)N(C)c1ccc(CN[C@H](C)c2ccc(F)cc2O)cc1	858495785	KEOBONIMZYMZCF-GFCCVEGCSA-N	316.376	3.365	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@@H]3CCCC[C@]3(C(=O)O)C2)cc1	851709041	QDTMOPUOVTXSML-LPHOPBHVSA-N	316.445	3.220	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1	858249285	NNGNKGHNCBBZNK-RDJZCZTQSA-N	310.397	3.131	10	20	DGCD	
CC[C@@H](CCO)N[C@H](C)c1cc(Br)c(F)cc1O	756602254	DMEBNROQVBKATI-BDAKNGLRSA-N	320.202	3.105	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cccc(-n3cccn3)c2)c1	756714060	XYEBMNNQARGSTN-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H](CCO)CC2)cc1F	862397653	VIOJSTLFDHMAAL-CYBMUJFWSA-N	312.404	3.015	10	20	DGCD	
Cc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cn1	764889112	WEQKFNYACTWLBT-QPEQYQDCSA-N	313.407	3.191	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H]2C[C@@H]2C1	862220761	ZUKJRNLJRISYER-HZPDHXFCSA-N	322.408	3.389	10	20	DGCD	
CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1O	868343109	MGXSZSTYAIBCRV-CKEIUWERSA-N	320.433	3.204	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]3CCCC[C@H]3C2)c1O	1116811595	ITOKZWSWRYEJRH-STQMWFEESA-N	320.389	3.321	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCO[C@@H](C(C)C)C3)c2c1	777969550	RWVGKFBZORIUBF-LJQANCHMSA-N	315.413	3.411	10	20	DGCD	
c1cc(N2CCSCC2)ccc1CNCCC1CCOCC1	876942915	IRMUXORMSXEBJL-UHFFFAOYSA-N	320.502	3.146	10	20	DGCD	
Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c1O	770468171	FYQFGGSKSAKBGJ-UHFFFAOYSA-N	301.386	3.105	10	20	DGCD	
C[C@@H]1CCCC[C@H]1CCNC(=O)/C=C/c1ccc(O)c(O)c1	779519418	DCLNWKUXFWMKBP-GMTGPXDGSA-N	303.402	3.444	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCC(C)(C)CO)c1O	779039954	TWMSXTGUFPAKMX-SNVBAGLBSA-N	316.239	3.132	10	20	DGCD	
Cc1ccc(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	775402585	HTWKLZFOUFQXOZ-AWEZNQCLSA-N	310.397	3.121	10	20	DGCD	
CCOc1ccc(N(CC)Cc2cccc(C(=O)OC)n2)cc1	773775844	KRFSCZSXERGPEU-UHFFFAOYSA-N	314.385	3.293	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)n(C)n1	788815517	CJIIDFNBRGUZII-JTQLQIEISA-N	313.323	3.304	10	20	DGCD	
COc1cc(C)cc(CNCc2nc(C)c3ccccc3n2)c1O	894216121	HSEDDKRBEXFZLB-UHFFFAOYSA-N	323.396	3.251	10	20	DGCD	
Cc1nnc([C@@H](C)NCc2c(O)ccc(Cl)c2F)s1	790986247	KPENUTJAGSDZOU-ZCFIWIBFSA-N	301.774	3.195	10	20	DGCD	
CC(C)CC[C@@H](O)CN(Cc1ccccc1O)C[C@H]1CCCO1	796448947	KVEONPYLSXVPHK-QZTJIDSGSA-N	321.461	3.170	10	20	DGCD	
CC[C@H](C)CC[C@@H](O)CC(=O)N[C@H](C)c1cc(OC)ccc1O	793690333	VFFODAZFXTVHCQ-BFHYXJOUSA-N	323.433	3.155	10	20	DGCD	
CC[C@@H]1CO[C@H](C)CN1Cc1ccc(Br)cc1O	691680202	UDOBWZRUXYYTMU-ZWNOBZJWSA-N	314.223	3.154	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C)[C@@H](O)C(F)(F)F	1335523347	VPJWBUUIGDQMFX-MAGOMRGPSA-N	303.324	3.150	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC(CC1)CC2	1337166916	PBTASCPKKTXJNV-ZVLZOBCMSA-N	303.402	3.115	10	20	DGCD	
C[C@H]1CCc2c(C(=O)NCc3cccc(O)c3O)csc2C1	1521851647	OYAXAMCKSIGUNQ-JTQLQIEISA-N	317.410	3.214	10	20	DGCD	
C[C@@H](NCCN(C)C1CCCCC1)c1cc(C(=O)O)ccc1O	1609782341	ZUCSHZUJFCVRLH-CYBMUJFWSA-N	320.433	3.006	10	20	DGCD	
CC(C)CC[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)O	1776323358	VUBXFFIFPQJNAY-AWEZNQCLSA-N	314.376	3.010	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cn(C)c3ccccc23)c1	153933476	LPBPXURXWGJNAV-LBPRGKRZSA-N	324.380	3.384	10	20	DGCD	
CC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1	157455464	LGZYDIDSMBXWLL-MRXNPFEDSA-N	306.425	3.427	10	20	DGCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccnc1	208863606	NYMGJOZPVRXKFG-MDWZMJQESA-N	309.394	3.414	10	20	DGCD	
CO[C@H](C)CCNCc1cc(Cl)cc(Br)c1O	708100199	UDSKEMVEIRNJOU-MRVPVSSYSA-N	322.630	3.323	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccnc1	48068125	OHEKXUOUFIXSKJ-OAHLLOKOSA-N	324.428	3.242	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(F)c2)c1	78493387	LKJKDYHSMUOKQY-JTQLQIEISA-N	304.321	3.423	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1	92066891	IHJVOQNQAQSWPK-QAPCUYQASA-N	300.446	3.149	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(-n3cccc3)cc2)c1	114543761	YINIYPXVNYBFOO-UHFFFAOYSA-N	322.364	3.122	10	20	DGCD	
CC1(C)CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	121135563	SWHOQSXPEOANDI-UHFFFAOYSA-N	306.425	3.284	10	20	DGCD	
CC(C)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	130127933	HXZKOTORLUCGBD-GOSISDBHSA-N	313.397	3.196	10	20	DGCD	
C=CCCOCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	143609746	VGRLHTRUHQXNFF-UHFFFAOYSA-N	316.445	3.228	10	20	DGCD	
CC[C@@H](NC[C@](C)(O)c1ccc(F)cc1)c1ccccc1O	156961261	BQBFSUMMKRRSSK-AEFFLSMTSA-N	303.377	3.480	10	20	DGCD	
Cc1cc(O)c(CNc2ccccc2SCC(N)=O)cc1C	158283736	SRWQNIYWNLUCPB-UHFFFAOYSA-N	316.426	3.199	10	20	DGCD	
Cc1cccnc1NC(=O)NCc1c(O)ccc2c1CCCC2	173258885	DLRRRLCAQWYBLS-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
CCC(CC)[C@H](CN[C@H](C)c1ccccc1O)N1CCOCC1	183406669	DREGTUQBPUZIAD-QAPCUYQASA-N	320.477	3.180	10	20	DGCD	
C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	183513710	HQESWEFCHRXNRH-KBPBESRZSA-N	320.433	3.442	10	20	DGCD	
COc1cc(OC)cc(OCCN[C@H](C)c2ccccc2O)c1	183618614	UDHDQOBUOSEPKT-CYBMUJFWSA-N	317.385	3.139	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCC(=O)N(C)Cc2ccccc2)c1	185079137	WXQRXZMMBDIWTC-OAHLLOKOSA-N	312.413	3.010	10	20	DGCD	
CC[S@@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2ccc(C)cc2O)C1	185657807	FJASGGPQGYOTMG-BOLFOIPXSA-N	309.475	3.431	10	20	DGCD	
CCOC[C@@H](NCc1cc(Br)ccc1O)C(C)C	188864083	ARZDEYPXFCCRDA-CYBMUJFWSA-N	316.239	3.305	10	20	DGCD	
CCOc1ccc(OCC)c(NC(=O)Cc2ccc(N)cc2)c1	236856398	LYIPPKUCHOLPLV-UHFFFAOYSA-N	314.385	3.247	10	20	DGCD	
COC[C@H](Cc1ccccc1)NCc1ccc(N(C)C)c(F)c1	237066163	SXMJOIVLNXGWKP-KRWDZBQOSA-N	316.420	3.239	10	20	DGCD	
Nc1ccc(CC(=O)NCC2(c3ccccc3)CCCC2)cc1	237899406	KUMXWDUIMSBWMF-UHFFFAOYSA-N	308.425	3.440	10	20	DGCD	
Cc1cc(O)c(CNCc2ccnc(N3CCCC3)c2)cc1C	266165223	ALPVXPNZJODTPN-UHFFFAOYSA-N	311.429	3.294	10	20	DGCD	
CCN(CCCCCO)Cc1cc(Br)ccc1O	266576950	QOJMPPRDZLPEOY-UHFFFAOYSA-N	316.239	3.139	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2)c(OC)c1	269762260	CFAPKWPQTYAFJR-INIZCTEOSA-N	305.349	3.013	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)c(C)c2O)[C@@]12CCCO2	274120556	AJZJCTXAVKGPIK-RMRDIRSESA-N	319.445	3.386	10	20	DGCD	
C[C@H](N[C@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1O	276997217	YRAWUODMFQJFGU-ZANVPECISA-N	307.344	3.132	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CCCCN2C2CC2)c1	278427063	JCIJOCOGBKZMFX-UKRRQHHQSA-N	304.434	3.068	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2cccnc2-n2cccn2)c(O)c1	293829378	SIWBIUDTWAYUII-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
C[C@@H](CCc1ccccc1F)C(=O)NCc1ccc(N)cc1	297247561	QJHGUOBDJOTETM-ZDUSSCGKSA-N	300.377	3.293	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)c2ccc(C#N)cc2)cc1Cl	305052733	AUPBXLUFTGSYJA-INIZCTEOSA-N	316.788	3.390	10	20	DGCD	
C[C@@](CO)(NCc1ccc(N2CCCC2)cc1)c1ccccc1	322491462	OVEMVZLIEBWLLH-FQEVSTJZSA-N	310.441	3.284	10	20	DGCD	
C[C@@H](CNC(=O)NCc1ccccc1O)c1ccc(F)cc1	726241966	QIZBDGOCTUTUQD-LBPRGKRZSA-N	302.349	3.134	10	20	DGCD	
CC(C)Oc1ccc(CCNC(=O)c2cc(O)cs2)cc1	731869044	JIYLJQPDGRXWOY-UHFFFAOYSA-N	305.399	3.213	10	20	DGCD	
COc1ccc([C@@H]2CCCN2C(=O)c2cc(O)cs2)cc1	732264083	NWFAFCGOGQPQCH-AWEZNQCLSA-N	303.383	3.440	10	20	DGCD	
Fc1cccc(CNC(=S)Nc2ccc(F)c(Cl)c2)n1	747719702	AYFJUIUHWALOAB-UHFFFAOYSA-N	313.760	3.500	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(-c2cccs2)on1	748345222	ABWBLYUFOHGWIP-UHFFFAOYSA-N	300.339	3.039	10	20	DGCD	
COc1ccc(C(=O)NCc2ccccc2O)c2ccccc12	748354013	VDVLVCUXACGQGG-UHFFFAOYSA-N	307.349	3.484	10	20	DGCD	
CC(C)(C)[C@H](CC(=O)O)NCc1c(O)ccc(Cl)c1F	756360821	IVJCOXUDBDQJPL-NSHDSACASA-N	303.761	3.164	10	20	DGCD	
C[C@@H]1SCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)[C@@H]1C	769445592	HKJQVAKWLGOATB-BDAKNGLRSA-N	316.810	3.280	10	20	DGCD	
C[C@@H](C[C@@H](C)NCc1ccccc1O)NC(=O)OC(C)(C)C	769686881	KFXXZXAAMXTIAA-OLZOCXBDSA-N	308.422	3.174	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc([N+](=O)[O-])c(Cl)c1	770002687	NCDVWDRAZKTTTC-UHFFFAOYSA-N	321.720	3.276	10	20	DGCD	
C[C@@H]1CCC[C@@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)C1	775649404	QXLBPWLPOXOHJF-YLJYHZDGSA-N	315.505	3.449	10	20	DGCD	
Oc1ccccc1CN(Cc1ccco1)c1ncnc2c1CCC2	775679772	RNALVGRVHUTPQG-UHFFFAOYSA-N	321.380	3.471	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@H](C)C3)CC2)cc1	776318198	ZQIHELBTGGULPK-GJZGRUSLSA-N	316.445	3.216	10	20	DGCD	
CCN(CC)c1ccc(CNC2(CC(=O)OC)CCC2)cc1F	777439428	GNDZPBYVTDSTLL-UHFFFAOYSA-N	322.424	3.247	10	20	DGCD	
Cc1ccc2c(CC(=O)NCc3ccc(O)c(O)c3)coc2c1	778918042	DACJYIQTYDJEFF-UHFFFAOYSA-N	311.337	3.011	10	20	DGCD	
Cc1cccc(CN2CCN(Cc3cc(F)ccc3O)CC2)c1	778995087	MSMOBXKTHRGGNZ-UHFFFAOYSA-N	314.404	3.158	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCN2CCOc3cccc1c32	780781060	GDPVMGVQQDZCLX-UHFFFAOYSA-N	316.788	3.265	10	20	DGCD	
O=C(Nc1cccc(-c2ncco2)c1)c1c(F)ccc(O)c1O	789995358	NRTHNERHPZZKSX-UHFFFAOYSA-N	314.272	3.144	10	20	DGCD	
C[C@H](CCN(C)C)NCc1ccc(N(C)C)cc1C(F)(F)F	792948085	WFDASIXHGVFPGE-GFCCVEGCSA-N	317.399	3.201	10	20	DGCD	
O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccoc1	795548416	PDLWTGFSHWVWCG-UHFFFAOYSA-N	312.397	3.265	10	20	DGCD	
COc1cccc(CNC(=O)c2cccc(F)c2SC)c1O	797942640	HTTXUTKFMIZDOH-UHFFFAOYSA-N	321.373	3.192	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]3CN(C)CC[C@@H]32)cc1	809767352	INHYXCFYTYQDRW-ICSRJNTNSA-N	315.505	3.449	10	20	DGCD	
C[C@H](NC[C@@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1O	815562152	YNUXXUAMJBPNJY-HZMBPMFUSA-N	316.367	3.402	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C)C[C@@H](C(=O)O)C2)cc1F	817881543	KQZGRSQFTRLTCL-DZGCQCFKSA-N	322.424	3.215	10	20	DGCD	
C[C@@H](NC[C@H]1CCCNC1)c1ccc(N2CCCCC2)c(F)c1	817945613	HVFSSQNUBLUIQB-CVEARBPZSA-N	319.468	3.466	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC23CCSCC3)cc1F	822863148	MCMGTKUJKBKLKH-CYBMUJFWSA-N	322.449	3.041	10	20	DGCD	
Cc1cc(O)c(CN2CCN(C(=O)C(C)(C)C)CC2)cc1Cl	824555678	HZVISIWOJKUNRN-UHFFFAOYSA-N	324.852	3.044	10	20	DGCD	
COC[C@H](NCc1cc(F)ccc1O)c1cccc(OC)c1	827011018	DRRQPKFEMLDGMB-INIZCTEOSA-N	305.349	3.017	10	20	DGCD	
Cc1cc(CN(C)Cc2cnn(C)c2)ccc1N1CCCCC1	827300120	XOJYGDVQTHZOMT-UHFFFAOYSA-N	312.461	3.351	10	20	DGCD	
COc1cccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1O	827377358	WOOLTCXEBWLCGW-HOCLYGCPSA-N	305.418	3.182	10	20	DGCD	
CO[C@](C)(C(=O)N[C@H](C)c1ccccc1O)c1ccccc1F	827946265	BTUKOLSBFNRNEJ-XIKOKIGWSA-N	317.360	3.270	10	20	DGCD	
COc1cccc(OCCC(=O)N[C@H](C)c2ccccc2O)c1	827952240	KVUUIDPTJZRPCY-CYBMUJFWSA-N	315.369	3.047	10	20	DGCD	
COc1ccc(CNC(=O)/C(F)=C/C2CCCCC2)c(O)c1	831038743	OSUPCQSXVXVEJB-DHDCSXOGSA-N	307.365	3.451	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CS[C@H](C)C2)cc1	840262035	BVJGCRXEULHJAR-UKRRQHHQSA-N	321.490	3.226	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1(C)CCC1	840481517	JWZGXIVENPWMCN-AWEZNQCLSA-N	303.450	3.234	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](CCO)c2ccccc2F)c1	842922805	DTEDZQMNRIIDEX-YVEFUNNKSA-N	319.376	3.314	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H]2CCCCN2C2CC2)c1O	846166794	PDNKSBHEHVGNBB-UKRRQHHQSA-N	304.434	3.068	10	20	DGCD	
COc1cccc([C@@H](C)Nc2ccc(COCCO)cc2)c1O	846170681	CGPMNWDSPGNRCT-CYBMUJFWSA-N	317.385	3.083	10	20	DGCD	
Cc1cc(CN2CCC[C@H](CCC(=O)O)C2)ccc1N(C)C	846281755	QRDOUFWBNULVLV-OAHLLOKOSA-N	304.434	3.138	10	20	DGCD	
CCc1cccc(CN2CCOC[C@H]2c2ccc(C)o2)c1O	848887353	UMAYNOVFSPRAIB-INIZCTEOSA-N	301.386	3.430	10	20	DGCD	
COC[C@@H](N[C@H](C)c1ccccc1O)c1cccc(OC)c1	850515176	UBCCMHJETZWKAD-CXAGYDPISA-N	301.386	3.439	10	20	DGCD	
O=C1C[C@@]2(CCCN(Cc3ccccc3O)C2)Oc2ccccc21	862481501	IDQQZNLTUOBIQQ-HXUWFJFHSA-N	323.392	3.392	10	20	DGCD	
C[C@@H](NCc1ncsc1Br)c1ccccc1O	879650150	MDRMXZIHSDNEGT-MRVPVSSYSA-N	313.220	3.462	10	20	DGCD	
C=C/C=C/CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	883267564	KFIFTNFXPCBDHC-RGDDUWESSA-N	304.409	3.445	10	20	DGCD	
COc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)c(O)c1OC	892120338	GXUKCTGDDIZXBL-DZGCQCFKSA-N	323.458	3.269	10	20	DGCD	
COc1cccc(CNC2CCN(CCC(C)C)CC2)c1O	894458421	QYXQFMUQLDDKDD-UHFFFAOYSA-N	306.450	3.001	10	20	DGCD	
CC(C)OC(=O)C(C)(C)NCc1cc(Cl)c(F)cc1O	898505597	BURBKVRMHHOINB-UHFFFAOYSA-N	303.761	3.005	10	20	DGCD	
COc1ccc(CNCCCN2C[C@@H](C)C[C@H](C)C2)cc1C	915678506	PNGGMZQCIGMONF-HOTGVXAUSA-N	304.478	3.461	10	20	DGCD	
COCCCN(CCOC)Cc1cc(C)cc(C(C)(C)C)c1O	921055407	OJHLHGMTVYKHKO-UHFFFAOYSA-N	323.477	3.483	10	20	DGCD	
C[C@@H](NC(=O)c1nccc(Cl)c1F)c1ccc(N(C)C)cc1	1116701609	CLTBKCJOQACQEM-SNVBAGLBSA-N	321.783	3.431	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@H](C)C2CCCC2)cc1C	1147351045	VMRCPEAHUUEGTJ-OAHLLOKOSA-N	318.461	3.036	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1262487839	HPZYWBDWAUDWGW-CABZTGNLSA-N	323.780	3.266	10	20	DGCD	
CC(C)(C)[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1321907754	UNLMOJIBBFDGRI-LLVKDONJSA-N	306.189	3.288	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1	1358148532	QNMMVVOPAUPCFD-DZGCQCFKSA-N	304.434	3.135	10	20	DGCD	
CC(C)(C)c1cnc(SC[C@@H]2C[C@@]3(CCNC3)CO2)s1	1575277297	NEWLTNKUKYJGFB-XHDPSFHLSA-N	312.504	3.301	10	20	DGCD	
Nc1ccc(CC(=O)NCCCc2cccc(Cl)c2)cc1	1580442725	GJSNGWKHQHWWNF-UHFFFAOYSA-N	302.805	3.214	10	20	DGCD	
CN(C)c1ccc(OC[C@@H]2CCCC(C)(C)O2)cc1C(=O)O	1598328048	CITSCZWVDJOPSK-ZDUSSCGKSA-N	307.390	3.177	10	20	DGCD	
COc1ccc(N(CC(C)C)C[C@H]2CC(C(=O)O)=C(C)O2)cc1	1607268090	HBMUMULOYLCDNC-MRXNPFEDSA-N	319.401	3.305	10	20	DGCD	
COc1ccc(CN[C@H]2CCC[C@H](CCCC(=O)O)C2)c(O)c1	1610335781	LMPLJTYEBMCRDS-HIFRSBDPSA-N	321.417	3.304	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)c2ncc(C(=O)O)s2)cc1C	1610475356	BWUPBFCVMGHFSS-SNVBAGLBSA-N	306.387	3.015	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc(OCC2CC2)cc1	55285910	YVHGFFQRDXRVDQ-UHFFFAOYSA-N	311.381	3.453	10	20	DGCD	
CC[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1	90178142	BHBJBERRFMVIRM-DOTOQJQBSA-N	317.477	3.193	10	20	DGCD	
CN(CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccc1O	109772608	XDGIJACVWIJAEV-UHFFFAOYSA-N	322.767	3.255	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CCCCO1	115280552	JMOAVMUHIYIJBA-QGZVFWFLSA-N	304.434	3.027	10	20	DGCD	
COc1ccc(N(Cc2cn3cccnc3n2)C(C)C)cc1F	170653303	BLCHNUIVGDNRTG-UHFFFAOYSA-N	314.364	3.292	10	20	DGCD	
C[C@H](NCc1ccoc1)c1ccc(N2CCOCC2)c(F)c1	178476859	JBBLDJBADYWQBN-ZDUSSCGKSA-N	304.365	3.106	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](CCO)C2CCCCC2)c1O	181501059	RSLCDJAPRWBJDY-QGZVFWFLSA-N	323.408	3.155	10	20	DGCD	
COC(=O)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cc1	182315394	KUKWALXSQLSYIN-LBPRGKRZSA-N	315.369	3.038	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)CCOC	185145323	UYRABTUJUGHFQC-UHFFFAOYSA-N	322.449	3.377	10	20	DGCD	
CC[C@H](CCO)CN[C@H](C)c1cc(Br)ccc1O	185676627	LWEMJNRCXQATNL-GHMZBOCLSA-N	316.239	3.214	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@@]1(O)CCC[C@H](C(F)(F)F)C1	188807602	YNZCGZBFNFYOAI-SMDDNHRTSA-N	321.314	3.105	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1	246794313	RVSRLBJDMCPUOF-QCQGSNGOSA-N	318.417	3.025	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)[C@H](O)c1cccc(F)c1	267145608	AXCYPGGOHCDNSV-ACJLOTCBSA-N	302.393	3.103	10	20	DGCD	
COc1cc(Cl)cc(CNCC[C@@H]2CCO[C@@H](C)C2)c1O	273723022	ISHUPWOPHZTTGZ-NWDGAFQWSA-N	313.825	3.349	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1ccccc1O	282399678	FGRWVTZRWRRHHL-UHFFFAOYSA-N	313.397	3.469	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@H]1CCO[C@]3(CCSC3)C1)CC2	297028275	UQHWBLGCCOCYDT-JJRVBVJISA-N	305.443	3.024	10	20	DGCD	
C1=CCN(c2ccc(CNc3ccc4nccnc4n3)cc2)C1	301325290	AKSZTYLAOONSGI-UHFFFAOYSA-N	303.369	3.013	10	20	DGCD	
CSC1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1	319401076	FPUPUKGHTLWYAA-HYXAFXHYSA-N	322.386	3.024	10	20	DGCD	
CCCn1cc(C(=O)NCc2c(C)c3ccccc3n2C)cn1	348635071	LVIKZAFEZLSUAN-UHFFFAOYSA-N	310.401	3.023	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2sccc2C)c(O)c1	366543040	ZDVXPFIYWUWFCK-ZIAGYGMSSA-N	317.410	3.191	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1C[C@H]2CCCN2c2ccccc21	492524840	ABNSZEAEKYGMME-XZVRFQMRSA-N	319.408	3.419	10	20	DGCD	
CC[C@](C)(CNCc1c(O)cccc1Br)OC	706872233	OKURGNQMOMSVMO-CYBMUJFWSA-N	302.212	3.059	10	20	DGCD	
CCCNC(=O)CCNCc1cc(-c2ccccc2)ccc1O	725847670	QCZMEAYZGLEVDW-UHFFFAOYSA-N	312.413	3.065	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(c3ccccc3)CC2)c1	729534667	AOIRBDJKFKFJSN-ZDUSSCGKSA-N	311.381	3.310	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3cc(C)ccc3[nH]2)c1O	729859081	HINODKYHEZSATJ-UHFFFAOYSA-N	310.353	3.121	10	20	DGCD	
CCCCO[C@H](C)C(=O)NCc1ccc(N(CC)CC)c(F)c1	731345542	ARGFGBKXNGRBSU-CQSZACIVSA-N	324.440	3.493	10	20	DGCD	
COc1ccccc1CN(C(=O)c1cc(O)cs1)C1CC1	732274254	PLBFDDDUUSQCGC-UHFFFAOYSA-N	303.383	3.267	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1	739625564	QEPSCEDWNRKQTA-LEJCZOIISA-N	316.357	3.462	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CCCS2)C2CC2)cc1	743302390	GDOOCSLIWOZAFY-INIZCTEOSA-N	304.459	3.139	10	20	DGCD	
CCC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	744465765	YLCZRNMCSPQHAB-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccccc1Br	748439079	UCLPVIDTCRQCAV-UHFFFAOYSA-N	321.174	3.476	10	20	DGCD	
C[C@@H](Cc1ccncc1)NCc1cccc(Br)c1O	749294196	FZSPKWPLZSJWNK-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@@H]2CCCO2)c1	749561346	HXQHBDJGWRSGHE-INIZCTEOSA-N	312.413	3.311	10	20	DGCD	
Cc1ccc(/C=C/S(=O)(=O)N(C)Cc2ccccc2O)cc1	751239475	JUXSSTAUSLLMOM-VAWYXSNFSA-N	317.410	3.133	10	20	DGCD	
O=C(O)[C@H](NCc1c(O)ccc(Cl)c1F)c1ccsc1	756363106	RSGFMVDLLWSACL-GFCCVEGCSA-N	315.753	3.162	10	20	DGCD	
COCCOCCCCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	756516175	IDFMMVCXTKQPAU-GXTWGEPZSA-N	311.397	3.112	10	20	DGCD	
Cc1cccc2c1CN(C(=O)NCc1ccc(N(C)C)cc1)CC2	758283381	PPLALFYNOQCAEA-UHFFFAOYSA-N	323.440	3.329	10	20	DGCD	
O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cc(O)cs1	765419501	AOXKGWLGDLPFSC-ARJAWSKDSA-N	319.367	3.321	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@@H](CO)Cc2ccco2)cc1	768841646	MHYXOCNXVITZTC-HOTGVXAUSA-N	316.445	3.238	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1	773115017	WTKQLMKTPNRMLZ-CYBMUJFWSA-N	315.392	3.452	10	20	DGCD	
CC1(C)c2ccccc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1	779544738	NOENQLQFSQBPKC-NTMALXAHSA-N	323.392	3.431	10	20	DGCD	
CC[C@@H]1C[C@@H](CC(=O)N[C@H](C)c2cc(OC)ccc2O)CCO1	782016187	YYENGCXVCGAFEH-HZSPNIEDSA-N	321.417	3.173	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc(C3CC3)c2)c1	783589988	RKWAXNLMOLIFPP-LLVKDONJSA-N	312.369	3.164	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1	785767092	JOKMJARBMNSTTI-ROUUACIJSA-N	302.462	3.391	10	20	DGCD	
CC[C@@H](C)n1ncc(NCc2cc(OC)c(OC)cc2O)c1C	792193111	QQYLBPYRAYKRIY-LLVKDONJSA-N	319.405	3.497	10	20	DGCD	
COc1ccc(CNC(=O)C[C@@H]2CCc3ccccc32)c(O)c1	794388075	OPILVANWKJFWEQ-AWEZNQCLSA-N	311.381	3.137	10	20	DGCD	
Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nc1	807838175	KELNOTUSZXIDCJ-UHFFFAOYSA-N	311.168	3.332	10	20	DGCD	
OC[C@H](CNCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1	808430982	NAKUICGWOFLDSA-INIZCTEOSA-N	317.816	3.141	10	20	DGCD	
Cc1cc(CN2CCOc3cc(O)ccc3C2)ccc1N(C)C	815118644	YFKSIFDOQJQUCX-UHFFFAOYSA-N	312.413	3.161	10	20	DGCD	
CCOC(=O)[C@@H](CC1CC1)NCc1cc(Cl)c(F)cc1O	816567270	VWMWZXZPJOZXNV-CYBMUJFWSA-N	315.772	3.006	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@](CO)(C(C)C)C2)c1O	816662465	PZEAIUNOAXCEEF-GOSISDBHSA-N	307.434	3.021	10	20	DGCD	
CC[C@H](N[C@H]1CCCNC1)c1ccc(C(F)(F)F)cc1O	817941890	SVYIAVYWXXFMHL-AAEUAGOBSA-N	302.340	3.204	10	20	DGCD	
C[C@H](N[C@H]1CC[C@H](CN)C1)c1cc(Cl)c(Cl)cc1O	817980648	CTVBCHSPQPVSIL-GUBZILKMSA-N	303.233	3.477	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	824838636	QOXJVDAJZJSKOR-CDGCEXEKSA-N	312.196	3.084	10	20	DGCD	
Cc1cnc(CCN[C@H](C)c2cc3c(cc2O)CCCC3)cn1	834907699	AGINOEBELJRFNW-CQSZACIVSA-N	311.429	3.263	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC1CCN(C(C)C)CC1	840891149	GRAYEKYDRQMHJW-QGZVFWFLSA-N	317.521	3.454	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cccc2c1oc(=O)n2C	840937779	XSFXFEYQQGKOFP-UHFFFAOYSA-N	311.385	3.118	10	20	DGCD	
COc1c(C)ccc(NC(=O)NCCc2ccc(N)cc2)c1C	841034590	AHQRDUYUPAUWAS-UHFFFAOYSA-N	313.401	3.258	10	20	DGCD	
COc1ccc([C@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)cc1	841301560	UNWRYRUZZHWJOY-AWEZNQCLSA-N	311.385	3.299	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)[C@H]1C	841580839	LRUYVVRLWKMQER-PMPSAXMXSA-N	313.445	3.249	10	20	DGCD	
CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CC1(C)C	841890742	KAZUZURKVHMNSG-NWDGAFQWSA-N	308.378	3.223	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)CC[C@H]1N	843051980	JMPDZTXWUCKZSP-DOTOQJQBSA-N	307.457	3.231	10	20	DGCD	
COc1ccc(N(Cc2cccs2)C[C@@H]2CCC(=O)N2)cc1	844305652	DPCDEFACCWVNBM-ZDUSSCGKSA-N	316.426	3.042	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1nnc(C(F)(F)F)s1	845513472	KUDONWRIKSYVDZ-LURJTMIESA-N	319.308	3.011	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)c(O)c1	846951540	WRFQOFZLDZGCJE-QLPKVWCKSA-N	303.402	3.233	10	20	DGCD	
CCn1cc(CNCc2cc(OC)cc(C(C)(C)C)c2O)cn1	850143861	KBGFYACBHRLJOS-UHFFFAOYSA-N	317.433	3.205	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)CC2=CCCOC2)c1O	852518914	RMCLAIKIDPUKDA-UHFFFAOYSA-N	309.793	3.027	10	20	DGCD	
COc1cccc([C@@H](CNCc2ccc(N(C)C)cc2)OC)c1	858204490	MYKLZUPZPHSYFI-LJQANCHMSA-N	314.429	3.239	10	20	DGCD	
CCC1CN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1	861944891	YUJBXUOJDYZFGN-UHFFFAOYSA-N	310.397	3.389	10	20	DGCD	
CCOC(C)(C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	864636449	KQBHQPFOKGWKOR-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
CCOC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O	868356572	AAKSKJVKXAERGR-UHFFFAOYSA-N	306.189	3.130	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)CCCCO)c2C)c1	869457726	XKPHYAYQNPBWQP-UHFFFAOYSA-N	314.429	3.181	10	20	DGCD	
COc1cccc([C@H](CNCc2c(C)cccc2O)N(C)C)c1	876885921	RTKNXQWXPSXEIN-SFHVURJKSA-N	314.429	3.102	10	20	DGCD	
COCCOc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)o1	893683377	HHEXIWAMQYNGON-AWEZNQCLSA-N	318.417	3.222	10	20	DGCD	
COc1cc(C)cc(CNC[C@H]2CCOc3ccccc32)c1O	894251570	VZBPRNRCTLOBRP-CQSZACIVSA-N	313.397	3.365	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCOC1CCSCC1	898441573	VLYCXAWFXZXGGZ-UHFFFAOYSA-N	308.491	3.063	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)CCO3)cc1	916503387	QUPXOOPNARBTMD-UHFFFAOYSA-N	324.424	3.398	10	20	DGCD	
Cc1cc(C(=O)N=[S@@](C)(=O)C(C)C)c(C)n1-c1ccccn1	926068520	QUJCQSKQTICUNA-QFIPXVFZSA-N	319.430	3.136	10	20	DGCD	
CCOC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1	1204323020	ZBRXLLMZJQBHIH-SFHVURJKSA-N	316.445	3.204	10	20	DGCD	
C[C@@H]1CCC[C@H]1CNCc1ccc(N2CCN(C)CC2)c(F)c1	1321185255	PZWRHAFKVUSIHC-WBVHZDCISA-N	319.468	3.103	10	20	DGCD	
Nc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1	1336286985	VIFHCSJHDRETMJ-UHFFFAOYSA-N	300.377	3.203	10	20	DGCD	
CC[C@@H](C)n1nccc1C(=O)Nc1c(Cl)ccc2nonc12	1349605901	QXBOMADCNMGVJJ-MRVPVSSYSA-N	319.752	3.296	10	20	DGCD	
C[C@@H](N[C@@H]1CCSC(C)(C)C1)c1cc(C(=O)O)ccc1O	1593232923	QAWGULMUHHHGGB-ZYHUDNBSSA-N	309.431	3.415	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](CC(=O)O)CC(C)C)ccc21	1776875680	ZQLYLOCRBMNGMU-QGZVFWFLSA-N	318.461	3.438	10	20	DGCD	
Oc1ccc(Cl)cc1CNc1ccc(-n2nccn2)cc1	37128358	DWKXANFAOOSAAU-UHFFFAOYSA-N	300.749	3.238	10	20	DGCD	
COC1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1	54149836	LUPVSLVEPWBNJP-UHFFFAOYSA-N	318.442	3.407	10	20	DGCD	
COc1cc(OC)c(CN(C)Cc2ccccc2O)c(OC)c1	91974507	JEFDLGWHQAQJOO-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
Cc1ccc(O)c(CN(C)Cc2ccc([S@@](C)=O)cc2)c1	93712977	DCEJCGDTHFPRFB-NRFANRHFSA-N	303.427	3.070	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](O)c2ccc(Cl)cc2)cc1F	113317270	SHKVOGQUEBATJJ-QGZVFWFLSA-N	322.811	3.368	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1=Cc2ccccc2OC1	115281912	JXDKMTHQPUCRSZ-UHFFFAOYSA-N	322.408	3.153	10	20	DGCD	
Cc1ccc(Br)c(C(=O)NCc2ccccc2O)c1	127829545	OELPCSBXUBSZOG-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
CCOC1CCN(Cc2cccc(Br)c2O)CC1	132467211	ZTLYLQMZZTURIW-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)C(C)C	170929065	JCCNVLSRSQCLGF-INIZCTEOSA-N	319.493	3.077	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)Cc2c(C)noc2C)c1	185501428	ZITCUFHQNZPQAT-GHMZBOCLSA-N	304.390	3.287	10	20	DGCD	
C[C@@H](NC[C@@H](CCO)c1ccccc1)c1cc(F)ccc1O	185526356	PRBKLIVASOGXTL-UKRRQHHQSA-N	303.377	3.348	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(C#N)c(F)c2)c1	192156427	PYZLWHJKTLLOPT-LLVKDONJSA-N	300.333	3.262	10	20	DGCD	
COCCO[C@H]1CCCN(Cc2cc(C(C)C)c(C)cc2O)C1	193415453	GEYGUCONURCPMN-KRWDZBQOSA-N	321.461	3.451	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2ccsc2)cc1	193749619	BCKXXWRWRWYTDJ-UHFFFAOYSA-N	302.443	3.453	10	20	DGCD	
CCN1C(=O)/C(=C/c2c(C)nc3sc(C)cn23)SC1=S	209107641	WXAKIHCIGONIFZ-YHYXMXQVSA-N	323.468	3.234	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccccc2OCC2CC2)cc1	216559310	QDLKPPDDVSAXGD-UHFFFAOYSA-N	324.424	3.471	10	20	DGCD	
CCOc1cccc(CN2CCO[C@@H](c3ccccc3)C2)c1O	271047571	SGUUGZYUMDVVDZ-GOSISDBHSA-N	313.397	3.364	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cnc2cnccn12	271097179	ZWBOHBCSESQACY-UHFFFAOYSA-N	323.444	3.206	10	20	DGCD	
C[C@H](N[C@@H]1CCSC1)c1cc(Br)ccc1O	273519043	SYZUOHXQHNSUMS-WCBMZHEXSA-N	302.237	3.311	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@@H](F)C(F)(F)F)C2CC2)cc1	289446813	KSFAGEHRBMYHIZ-CYBMUJFWSA-N	318.314	3.144	10	20	DGCD	
Cc1cncc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	292308549	QNXVWUGSBRSTHT-UHFFFAOYSA-N	311.429	3.047	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)CCCN)c2C)c1	295281213	SVADWEJDGCJBTE-CQSZACIVSA-N	313.445	3.260	10	20	DGCD	
Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccc(N)cc2)c1	297177061	KVDZTUUNCKCFTP-UHFFFAOYSA-N	310.397	3.165	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C)C(=O)NC(C)(C)C	317436994	RIDHKLVPAKXAMT-AGIUHOORSA-N	304.434	3.142	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@@](O)(C2CC2)C1	369684255	SWSIBGLLBMQOIO-AWEZNQCLSA-N	302.201	3.046	10	20	DGCD	
Cc1c(CNC(=O)N2CCSC[C@H]2C)n(C)c2ccccc12	472236882	CEDBEDDSNVFXOP-GFCCVEGCSA-N	317.458	3.134	10	20	DGCD	
OC[C@@H](CC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O	717790818	NABIMQYUOXJXAU-MRVPVSSYSA-N	318.122	3.102	10	20	DGCD	
O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(O)cs1	731866485	JJGZKOBLNQZWGW-UHFFFAOYSA-N	302.355	3.055	10	20	DGCD	
CCCN(Cc1csc(COC)n1)Cc1ccccc1O	743870206	LCGXYQRKMRGDJW-UHFFFAOYSA-N	306.431	3.407	10	20	DGCD	
CC(C)OCc1ccccc1CNC(=O)Cc1ccc(N)cc1	746411296	YBRHDRAKYLQWKZ-UHFFFAOYSA-N	312.413	3.053	10	20	DGCD	
CCOc1ccc(SCC(=O)NCc2ccccc2O)cc1	748352558	DQGYXNNFGOYCNB-UHFFFAOYSA-N	317.410	3.199	10	20	DGCD	
CC[C@@H](C)CN(CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1	749116379	OMNRLJRXYJPVPI-MRXNPFEDSA-N	319.493	3.079	10	20	DGCD	
C[C@H]1CC[C@H](C)C1NCc1ccc(N2CCOCC2)c(F)c1	749925514	XFSKMNMZALBZCW-KBPBESRZSA-N	306.425	3.187	10	20	DGCD	
CCN(Cc1cc(Cl)cc(C(C)=O)c1O)C[C@@H]1CCOC1	750046907	IDTFCHDYJPDUPO-LBPRGKRZSA-N	311.809	3.107	10	20	DGCD	
C[C@@H](CCC(=O)O)CNCc1cc(Cl)cc(Cl)c1O	756307758	CJSLBPFQQJCHGV-QMMMGPOBSA-N	306.189	3.290	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CC[C@H](SC)C2)c1	756610533	PGTTWKVDGNUNSK-DRZSPHRISA-N	309.431	3.114	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCOC3(CCOCC3)C2)c(O)c1C	756764426	IYWOCEYUKBNVRD-CVEARBPZSA-N	319.445	3.388	10	20	DGCD	
O=C(NC[C@H](O)c1cc2ccccc2s1)c1cc(O)cs1	758332543	UMLSUCSLTNHDSS-NSHDSACASA-N	319.407	3.132	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CC(=O)N1CCCCCC1	766270837	UZTTXEYQHBLCOZ-UHFFFAOYSA-N	316.445	3.241	10	20	DGCD	
CCN(C)c1ccc(CN2CCC3(CCCN3C)CC2)cc1	773815314	BFVHIQPBBIPUMS-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@H](C)C[C@H]2C)c1O	775016094	NZTATAILVIYSHS-DMDPSCGWSA-N	308.378	3.223	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(O)cc1F)c1ccc(N(C)C)cc1	775406899	PZDKEECXJILIFP-LLVKDONJSA-N	302.349	3.088	10	20	DGCD	
COc1ccc(O)c(CNCCc2c[nH]c3cc(F)ccc23)c1	776150136	MBOAUXUQAJOZOF-UHFFFAOYSA-N	314.360	3.354	10	20	DGCD	
OCC1(CNCc2cc(Cl)cc(F)c2O)CCCCC1	776232175	SQRADLLFKDSBMO-UHFFFAOYSA-N	301.789	3.217	10	20	DGCD	
CCOc1ccc(CNc2nncn2Cc2ccccc2)c(O)c1	777740618	ZBKOAIVWBBRBGV-UHFFFAOYSA-N	324.384	3.043	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCn2ccnc2C1	778190020	USDLYOYZHKWBAI-LLVKDONJSA-N	312.200	3.000	10	20	DGCD	
CC(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccn1	779522156	XBMPFJHSCKMXOX-CNRGFGOASA-N	312.369	3.020	10	20	DGCD	
CC(C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccn1	779522157	XBMPFJHSCKMXOX-KOEDOTQGSA-N	312.369	3.020	10	20	DGCD	
CCN(Cc1cccnc1OC)c1ccc(OC)c(OC)c1	785729503	JLIXFLUQUKKQFZ-UHFFFAOYSA-N	302.374	3.134	10	20	DGCD	
CCOC1CC(CCNCc2cc(Cl)cc(F)c2O)C1	789583567	ACSXGMHSDPCTAM-UHFFFAOYSA-N	301.789	3.480	10	20	DGCD	
COCCN(Cc1cc(C)cc(OC)c1O)[C@@H]1CC[C@@H](C)C1	790479519	PHKOVLBQNBJJQH-CZUORRHYSA-N	307.434	3.346	10	20	DGCD	
COc1ccc(CNC(=O)Cc2ccc3ccccc3c2)c(O)c1	794371245	ZRRQHGNWRRNAMY-UHFFFAOYSA-N	321.376	3.413	10	20	DGCD	
CSc1ccccc1[C@@H](C)NC(=O)c1cccc(O)c1O	800578092	LWFVMFCUNRZOSJ-SNVBAGLBSA-N	303.383	3.311	10	20	DGCD	
CN(C)c1ccc(CNc2ccc3c(c2)C(=O)OC3)cc1F	809788457	LKAAPWZPXYAKES-UHFFFAOYSA-N	300.333	3.174	10	20	DGCD	
CC1CCC(N(C)C(=O)COc2ccc(N(C)C)cc2)CC1	810001107	XGKHKVYZKNWREF-UHFFFAOYSA-N	304.434	3.169	10	20	DGCD	
Cc1ccc2nc(CNCc3cc(Cl)cc(F)c3O)cn2c1	811634384	MWOGZKONQJXAGW-UHFFFAOYSA-N	319.767	3.431	10	20	DGCD	
COc1cc(CN2CC[C@H](n3cc(Cl)cn3)C2)c(O)cc1C	811803837	TVDVJMOYOTXOBP-AWEZNQCLSA-N	321.808	3.006	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1cccc(C(F)(F)F)c1O)C1CC1	815651679	ZUHLJBFQFUPDGC-TVQRCGJNSA-N	303.324	3.487	10	20	DGCD	
COC(=O)c1ccc(CNCc2ccc3ccccc3c2O)o1	816611388	ORIDPROUSRVZHR-UHFFFAOYSA-N	311.337	3.215	10	20	DGCD	
C[C@H]1C[C@@H](NCCc2ccc(N)cc2)c2c(O)ccc(F)c21	817958411	VJMMGFQZLXUIHF-XHDPSFHLSA-N	300.377	3.494	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CC3(CCOC3)C2)c1C	819378407	CRHAIUIFEDOMEW-UHFFFAOYSA-N	324.424	3.265	10	20	DGCD	
CCC[C@@H](OC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	823196113	WMHHYRZXQZQZLT-GOSISDBHSA-N	318.461	3.354	10	20	DGCD	
COc1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1)CCO2	824909011	HNAGWKPRSDHCRO-UHFFFAOYSA-N	312.413	3.156	10	20	DGCD	
COCC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCC1	837480609	KHMLNXZYBRCPQK-UHFFFAOYSA-N	317.429	3.094	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CS1	840854624	FEZYYYNIMIGWMM-UMVBOHGHSA-N	324.465	3.207	10	20	DGCD	
CCOCCC1(CNC(=O)Nc2ccc(N)cc2)CCCC1	841297595	HBLDZLBVYYNYHM-UHFFFAOYSA-N	305.422	3.377	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(OCCC(=O)O)cc2)cc1	841805893	WQRCYKPFUXEPAS-UHFFFAOYSA-N	314.385	3.218	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCCc2cncn2C)cc1	846766593	UCLCPUCZXHCZHX-UHFFFAOYSA-N	314.477	3.331	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)c(O)c1	846951002	SWOAWBMOROZZSQ-DLBZAZTESA-N	311.381	3.129	10	20	DGCD	
Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)c(O)c1C	857548830	WIJQNMAJBNHOQU-UHFFFAOYSA-N	305.761	3.298	10	20	DGCD	
CCN(Cc1cccnc1[N+](=O)[O-])c1ccc(OC)c(OC)c1	886052203	NLUUWRSNDGVKPQ-UHFFFAOYSA-N	317.345	3.034	10	20	DGCD	
C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1c(O)cccc1F	886547887	SZDWDYZZULCIBA-ZANVPECISA-N	311.303	3.194	10	20	DGCD	
COc1ccc(CN(C)CCCc2ccccc2)c(O)c1OC	891622597	HKUSYJCWNVOYEN-UHFFFAOYSA-N	315.413	3.474	10	20	DGCD	
CSCC(C)(C)NC(=O)NCCCSc1nccs1	893643816	BPEHLPYCTJMGQH-UHFFFAOYSA-N	319.521	3.066	10	20	DGCD	
COc1cc(NCc2cc(C)cc(OC)c2O)cc(OC)c1	894115442	QDPXMDUNJDUWEU-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
O=C(O)C[C@H](NCc1ccc2c(c1)CCCO2)c1ccsc1	900021934	FWAXZVZHSARSHN-HNNXBMFYSA-N	317.410	3.379	10	20	DGCD	
CC(C)(C)c1ccc(CC(=O)NCc2ccc(O)cc2O)cc1	910951872	WUWNNKMAJAVFFQ-UHFFFAOYSA-N	313.397	3.254	10	20	DGCD	
Cc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1	917217534	AYMRFIJODCRGAZ-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CN[C@H](C)c3cnnn3C)c2C)c1	926764313	JDPSIWLVFJNXSS-OAHLLOKOSA-N	323.444	3.382	10	20	DGCD	
C[C@H]1C[C@H](C)CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1319797781	RZCAXXTUMILDPA-HOTGVXAUSA-N	319.468	3.055	10	20	DGCD	
Nc1ccc(CNC(=O)NCc2cc3c(s2)CCCC3)cc1	1346204644	UOYIQFSAEULJDR-UHFFFAOYSA-N	315.442	3.209	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CC[C@@H](C)[C@@H](C)C1	1352321150	NSWHWSYHAKSQFU-MNOVXSKESA-N	306.435	3.214	10	20	DGCD	
C[C@H]1CCCC[C@H]1NC(=S)NCc1ccc(N(C)C)cc1	7500531	CRPPDGSYRFUSBI-XJKSGUPXSA-N	305.491	3.295	10	20	DGCD	
COCC(C)(C)N(C)Cc1cccc(Br)c1O	310228208	IVUYYOUZXRXRSR-UHFFFAOYSA-N	302.212	3.012	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@H]1CCOC1	119981361	ZRCFATYDDZZEDU-KBPBESRZSA-N	318.442	3.310	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(F)cc1O	186326163	WHUVOQGLLPOQMC-JTQLQIEISA-N	316.332	3.060	10	20	DGCD	
C[C@@H](Nc1cnn(Cc2ccncc2)c1)c1cc(F)ccc1O	186390037	MIPJWADLLGBTBK-GFCCVEGCSA-N	312.348	3.344	10	20	DGCD	
CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(C)c(O)c2O)C1	179526005	XQVIIBDPAPVKJH-RYUDHWBXSA-N	309.431	3.152	10	20	DGCD	
Cc1csc([C@H](C)NCc2ccc(N3CCOCC3)cc2)n1	69168518	RAPUAQXTXWTPHX-AWEZNQCLSA-N	317.458	3.139	10	20	DGCD	
COc1cccc(CNC(=O)NCc2c(C)cccc2C)c1O	124934347	RYWGLZKZOWQGND-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
COCC1=CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1	185031028	BLZDVENISDXYSA-UHFFFAOYSA-N	319.445	3.477	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccncc1F	124734165	BHDUCMBANJDCTB-UHFFFAOYSA-N	303.337	3.370	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	314033652	CLCWWFLHNQYZKR-CZVUKNJHSA-N	304.346	3.175	10	20	DGCD	
C[C@@H](NCc1ccccc1O)c1nc(Cc2ccccc2)no1	191593402	QAJDSDNRGYUONK-CYBMUJFWSA-N	309.369	3.217	10	20	DGCD	
Cc1cc(NC(=O)Cc2ccc(N)cc2)n(Cc2ccccc2)n1	237808269	LRNZJPYIBDJKEE-UHFFFAOYSA-N	320.396	3.003	10	20	DGCD	
O=C1CCCCN1[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1	364069017	FMEKBIJBXFZNBA-CQSZACIVSA-N	322.836	3.023	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](CO)c2c(F)cccc2F)c1	273540897	YFYZTQXERCCUQI-ZUZCIYMTSA-N	323.339	3.063	10	20	DGCD	
CCc1ccc([C@@H](O)CNCc2cccc(Cl)c2O)cc1	289625890	WOOFPOHHJBHZBJ-INIZCTEOSA-N	305.805	3.431	10	20	DGCD	
C[C@@H](NCC1([S@](C)=O)CCC1)c1cc2c(cc1O)CCCC2	280874131	AKRGKDLLYNGSLY-DMZKTXOQSA-N	321.486	3.223	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(F)cc1O	285524859	BHIWLCYARCEWNN-NOLJZWGESA-N	322.424	3.219	10	20	DGCD	
CC[C@H](N[C@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1O	290145204	KXYQHRPYXWXZCJ-AVGNSLFASA-N	320.216	3.154	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCC[C@@]1(O)C[C@H]2CC[C@H]1C2	813784302	YHTNOXRESCAVSJ-XMZIXOGTSA-N	313.800	3.216	10	20	DGCD	
C[C@@H]1[C@H](N2CCCC2)CCN1Cc1cc(Cl)c(F)cc1O	816609526	FDWHDAQCYHNREI-IAQYHMDHSA-N	312.816	3.243	10	20	DGCD	
CC(C)(CO)[C@@H](NCc1cc(Cl)cc(F)c1O)C1CC1	811519119	UFSQQQHBSJKRDA-AWEZNQCLSA-N	301.789	3.071	10	20	DGCD	
Cc1cccc(C2(C(=O)NCCc3ccc(N)cc3)CCC2)c1	818546103	NZTIXNQIKGOALP-UHFFFAOYSA-N	308.425	3.358	10	20	DGCD	
CC[C@H](N[C@H](C)CCCN)c1cc(Br)ccc1O	817977886	RCNHNYAHBCUSQA-MFKMUULPSA-N	315.255	3.323	10	20	DGCD	
Cc1nnc(CCN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)s1	810243368	NQQPUMQTCQXDJR-KCJUWKMLSA-N	307.394	3.072	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1[C@H]2CCC[C@H]12	820006202	NMCCVTBFQBNNRR-STQMWFEESA-N	318.380	3.381	10	20	DGCD	
COc1cccc(O)c1CNC[C@H]1CSc2ccccc21	824483946	XBQVNOWYKIEBCT-LBPRGKRZSA-N	301.411	3.380	10	20	DGCD	
C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(O)cs1	827223502	HXOFNELFBNMPJN-XHBSWPGZSA-N	317.410	3.444	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2c(C)nnn2CC)cc1	823390536	HXRBNDXBUORCSM-UHFFFAOYSA-N	315.465	3.085	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N(C)c1cnc2ccccc2n1	493118913	GAZIBTDMAQMILF-FPLPWBNLSA-N	310.382	3.071	10	20	DGCD	
C[C@H]1CCc2c(C(=O)NCc3ccc(N)cc3)csc2C1	837303480	RRPCANVLWVPJMS-NSHDSACASA-N	300.427	3.385	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)C(C)(F)F	839920669	COTBCDQIYVUGMH-STQMWFEESA-N	312.404	3.400	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCCc2ccccc21	588403776	ZASIVRACVUGVIF-HGPCXVNDSA-N	323.392	3.347	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(C)C(F)F	839920820	FKCDNYKJDKTLPJ-LBPRGKRZSA-N	312.404	3.400	10	20	DGCD	
CCN(C(=O)/C=C/c1cnc(C)s1)c1ccccc1C(=O)O	737053366	SIOPZVNXQSFOFZ-CMDGGOBGSA-N	316.382	3.216	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@]2(C)CCCCO2)C2CC2)cc1	839238507	IXWIOPAKBVRQCG-IBGZPJMESA-N	316.445	3.203	10	20	DGCD	
CCN(CCOC)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	914509854	FLGCOCSLUWFKOD-UHFFFAOYSA-N	318.392	3.342	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H](C)c2nccc(N)n2)cc1	846766625	VCUMLYMRUMKPRP-CQSZACIVSA-N	313.449	3.098	10	20	DGCD	
C[C@H](N[C@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O	841764594	GWVNHXHJSIHCKP-ONGXEEELSA-N	304.768	3.036	10	20	DGCD	
CCCCN(CCCc1cncn1C)Cc1ccccc1O	846894140	RIUYIVXPDOZUQB-UHFFFAOYSA-N	301.434	3.361	10	20	DGCD	
C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)cc1O	841745278	PJHDAKUMMHNIFG-GPNNCHTKSA-N	303.789	3.355	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC([C@@H]3CCCN3)CC2)cc1	843046398	UGACMGPWIRZCTQ-FQEVSTJZSA-N	315.505	3.497	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(CN)cc2F)c(O)c1C	844925197	RXAOULGNOHPXFS-ZDUSSCGKSA-N	302.393	3.458	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@@H](C)CCO)c2C)c1	846600037	KSDBVUZPIKDUSD-AWEZNQCLSA-N	314.429	3.245	10	20	DGCD	
CCc1noc(C)c1CN(C)CCN(C)c1ccc(OC)cc1	844400921	HYRDLDZBALTUAU-UHFFFAOYSA-N	317.433	3.122	10	20	DGCD	
C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(Cl)cc1O	841756140	RQRBENSGYDYTOX-DYLAAIIWSA-N	305.752	3.245	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCOC1CCCCCC1	759596654	PBWZIAJJFARIES-NTMALXAHSA-N	320.385	3.394	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCN3CCCC[C@@H]23)c2c(O)ccc(F)c21	756431625	OHSBVKYHPKXZSW-UNQGMJICSA-N	304.409	3.296	10	20	DGCD	
CCCCN(Cc1ccccc1O)C[C@@H](O)c1ccccn1	852019261	XRGFWUMRYALPBS-GOSISDBHSA-N	300.402	3.123	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)C2CC2)cc1	920053907	KIHAOFSQPMBDAW-CQSZACIVSA-N	303.450	3.378	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCSC(F)(F)F)c1	756443004	RQVDYVTXOZLHMN-MRVPVSSYSA-N	323.336	3.082	10	20	DGCD	
COc1cc(CNC2(CO)CCCC2)c(O)c(C(C)(C)C)c1	850180336	XBHNMIZJEFNUFP-UHFFFAOYSA-N	307.434	3.093	10	20	DGCD	
C[C@H]1CC[C@@](CNCc2ccc(N(C)C)cc2)(CC(=O)O)C1	756312510	QVHGZZXBKNOUNM-KSSFIOAISA-N	304.434	3.123	10	20	DGCD	
COc1cc(CNCCCCN(C)C)c(O)c(C(C)(C)C)c1	850094026	BAEXFGGHUMRWKU-UHFFFAOYSA-N	308.466	3.130	10	20	DGCD	
COc1cc(CNCc2nccs2)c(O)c(C(C)(C)C)c1	850041762	PPAWOUAGICBHQC-UHFFFAOYSA-N	306.431	3.445	10	20	DGCD	
CC[C@H]1Cc2ccccc2CN1Cc1cc2c(cc1O)OCO2	768530577	LYHRKHUSGATHEM-INIZCTEOSA-N	311.381	3.458	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1cccs1	768161301	WUCASVDDBUYVBQ-UHFFFAOYSA-N	320.433	3.356	10	20	DGCD	
Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1C	867833858	CMDOMKQJKSUFOS-CYBMUJFWSA-N	305.399	3.049	10	20	DGCD	
CCOc1cccc(F)c1/C=C1\SC(=S)N(CC)C1=O	871598466	QDBXXLHPNGFZRT-WQLSENKSSA-N	311.403	3.446	10	20	DGCD	
CC[C@H](NCCNC(=O)c1ccco1)c1cc(Cl)ccc1O	775485752	ZPNJXHRFAADKJI-ZDUSSCGKSA-N	322.792	3.109	10	20	DGCD	
CC(=O)Nc1cccc2c1CCN(Cc1ccc(C)cc1O)C2	876629493	HNIFILXJXXOEGB-UHFFFAOYSA-N	310.397	3.217	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@@H](c2ncc[nH]2)C1	775658741	PUDSANLZFJWXAU-SNVBAGLBSA-N	309.772	3.287	10	20	DGCD	
Cc1ccc(CN2CC[C@@]3(CC(=O)c4ccccc4O3)C2)c(O)c1	877589770	RDIIBTHFQUWWSO-HXUWFJFHSA-N	323.392	3.311	10	20	DGCD	
CCN(C)c1ccc(CN(C2CCC2)[C@H](C)C(=O)OC)cc1	773888888	RWMQGGDCKNIKEG-CQSZACIVSA-N	304.434	3.059	10	20	DGCD	
CC[C@@H](NCc1cc(F)cc(F)c1O)[C@H](O)c1ccccc1	883203703	JJIUJPQTYSDDNW-NVXWUHKLSA-N	307.340	3.272	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H]1Cc2ccccc2[C@H]1O	1120361738	BFFWLAPBFTYCIR-SGJCYKPQSA-N	309.409	3.497	10	20	DGCD	
Cc1ccc(C)c(C2=NO[C@H](C(=O)N(C)c3ccc(N)cc3)C2)c1	884442052	VKDVTWBXHHQTQX-SFHVURJKSA-N	323.396	3.042	10	20	DGCD	
CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCCC1	784463476	AXSTYEPDDLAXLG-UHFFFAOYSA-N	320.385	3.430	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1O	896511537	WSZYNFQPZJCRFF-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
CN(C)c1ccc(CN=c2cc[nH]cc2F)c(C(F)(F)F)c1	794943721	OATVDISMVSTLEI-UHFFFAOYSA-N	313.298	3.340	10	20	DGCD	
C[C@H](NC[C@@H]1N(C)CCCC1(C)C)c1cc([N+](=O)[O-])ccc1O	790497199	LTWBPAAHHLAYCF-LRDDRELGSA-N	321.421	3.071	10	20	DGCD	
CC[C@H](NC1CCN(CC(F)F)CC1)c1ccc(C)cc1O	794802587	GDIMKKPOLOSILB-HNNXBMFYSA-N	312.404	3.471	10	20	DGCD	
CCOCC(C)(C)CNCc1cc(Br)ccc1O	394071003	RRORCRAWQPHFCP-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@@H](F)C1	1326752210	OSFMEABLPIQGJF-CABCVRRESA-N	307.413	3.141	10	20	DGCD	
C[C@@H]1C[C@H](CNCc2cccc(Br)c2O)[C@@H](C)O1	686514130	XMLMVTDIUWWHNG-CKYFFXLPSA-N	314.223	3.058	10	20	DGCD	
CC[C@@H](C)C[C@@H](CO)NCc1ccc(Br)cc1O	1327841616	OVQNUQKYIZEDDE-MFKMUULPSA-N	316.239	3.041	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@H](c2cccs2)C2CC2)cc1	1336720306	DXHYNWBMCDXTIZ-HNNXBMFYSA-N	301.415	3.281	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1ncnc2scnc12	1330653806	SCYGGOSXEOCIHQ-UHFFFAOYSA-N	313.430	3.179	10	20	DGCD	
CCCCCCNC(=O)[C@H]1CCCN(Cc2ccc(N)cc2)C1	1336116219	DAOWOWCOGLYCMX-KRWDZBQOSA-N	317.477	3.177	10	20	DGCD	
C[C@@H](NC(=O)c1cn(C)cc1C(F)(F)F)c1ccccc1O	1333517462	AEWYYDKFGFEJRY-SECBINFHSA-N	312.291	3.241	10	20	DGCD	
O=C(NCCC(F)F)N(Cc1ccco1)Cc1ccccc1O	1346879300	QSDFDYLYJMONOF-UHFFFAOYSA-N	324.327	3.352	10	20	DGCD	
COc1cccc(O)c1CN1CCC(Nc2ccccc2)CC1	1341539757	LMQOGVRQRKHGHE-UHFFFAOYSA-N	312.413	3.477	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCOC[C@@H]2CCOC2)cc1	158128801	DRCSLCSGLHDJCZ-SJORKVTESA-N	320.477	3.237	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(C)ccc2O)c(OC)c1	160837442	LRVVHMJWBDZYOX-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
COc1ccc(O)c(CNc2ccnc(Cc3ccccc3)n2)c1	166656985	XQLKYYOMDYBUBY-UHFFFAOYSA-N	321.380	3.394	10	20	DGCD	
Cc1ccc(O)c(CN[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1	156776740	OARNDDJVHUEVRT-LPHOPBHVSA-N	310.441	3.311	10	20	DGCD	
C[C@@H](NCc1c(O)cccc1Br)C1CCOCC1	706872061	XASBICIXMLBBJN-SNVBAGLBSA-N	314.223	3.059	10	20	DGCD	
CCCCOCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	119633037	HXOIDFPEBHDZHM-OAHLLOKOSA-N	324.440	3.130	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccccc1)N(C)C)c1ccc(F)cc1O	170788844	SINXJPJXXJMTQT-DYVFJYSZSA-N	302.393	3.485	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCc1cn(C)c2ccccc12	125915700	SICQMIOXEUKDRC-UHFFFAOYSA-N	322.408	3.475	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@@H](CC)C1	183580567	VTZORADGTJWKRB-ZBFHGGJFSA-N	305.418	3.336	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCS1	127293584	BLHRUKFTDCKYCE-AWEZNQCLSA-N	308.447	3.209	10	20	DGCD	
COCCN(Cc1csc(C)n1)c1ccc(OC)c(OC)c1	83212512	GMUBVQWARUHJGU-UHFFFAOYSA-N	322.430	3.122	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2cccs2)c1	131089804	OMZQRMKXJFRMJW-GHMZBOCLSA-N	305.399	3.443	10	20	DGCD	
CCO[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)c1ccccc1	194461554	QKALXKOHOYHOOB-KRWDZBQOSA-N	316.357	3.168	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2c(O)cccc21	190639828	DGTVTRUYIYMHMS-MRXNPFEDSA-N	311.381	3.176	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](C(=O)O)C1	1594424418	SKZHSXZRMYMCEK-QPUJVOFHSA-N	318.200	3.384	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)c(O)c1O	272854706	TVWBUBHFHPPUME-ZDUSSCGKSA-N	303.383	3.445	10	20	DGCD	
COc1ccc(OC)c(CN[C@H](C)c2ccc(F)cc2O)c1	273400659	MXKDTQXIKFVJSM-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
COC[C@@H](CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1)OC	272629787	AONVOYZAEZIICG-GDBMZVCRSA-N	324.440	3.128	10	20	DGCD	
C[C@H](NC[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(F)cc1O	289673072	HIHNDBQICZQGGE-IRWQIABSSA-N	315.388	3.348	10	20	DGCD	
COc1ccc([C@H](C)NCc2ccc(N(C)C)cc2)cc1O	289866183	RXQPPLPRJSMJBY-ZDUSSCGKSA-N	300.402	3.318	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCCCN(C)C	801549627	TXAHKHKBLRISGY-UHFFFAOYSA-N	306.450	3.253	10	20	DGCD	
CN(C)CCOc1cccc(N[C@@H]2CCc3cccc(O)c32)c1	391784679	CGNKJQVWJACWTC-QGZVFWFLSA-N	312.413	3.432	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnc2[nH]cnc2c1	801546724	XAMOWVOMBCOBAN-UHFFFAOYSA-N	324.384	3.106	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(Cl)c(O)cc1F	805255367	OXINJBGYHJKTOF-RQOWECAXSA-N	323.707	3.248	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3cc(Cl)c(F)cc3O)CC[C@@H]21	816521528	ROVSMCVWMRVMPK-ABAIWWIYSA-N	312.816	3.101	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)[C@@H](C)c1ccccc1	819077412	KOTWEOSPVACVGL-OXJNMPFZSA-N	312.457	3.315	10	20	DGCD	
COC(=O)C1(CNCc2ccc3ccccc3c2O)CCCC1	816567461	BDSWTDHGLPSEQT-UHFFFAOYSA-N	313.397	3.368	10	20	DGCD	
Cc1cc([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c(C)o1	817939216	AMMIEAOHFFGXKI-UGSOOPFHSA-N	301.434	3.313	10	20	DGCD	
CCOC(=O)c1cc(COC)cc(NCc2ccccc2O)c1	814174765	DAPFXJXGANOSGN-UHFFFAOYSA-N	315.369	3.327	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)NCCCC3CC3)cs2)cc1	817948630	CCUUICFOSURJFD-UHFFFAOYSA-N	315.442	3.236	10	20	DGCD	
Oc1cccc(Cl)c1CNCCN1CCc2ccccc21	733325796	SWILFBWWCHXCOO-UHFFFAOYSA-N	302.805	3.198	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O	831322633	XJMSASLOJFWCBS-XKQJLSEDSA-N	321.392	3.027	10	20	DGCD	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(O)cs2)c(C)c1	731909652	HTZCVCZMFJJIMP-NSHDSACASA-N	319.382	3.255	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(CN)cc2)cc1F	843128490	LOBIGNXRZHQARI-UHFFFAOYSA-N	315.436	3.420	10	20	DGCD	
COCc1ccccc1CN[C@@H](C)c1cccc(OC)c1O	846136688	NBJPWYHMNKPMLR-ZDUSSCGKSA-N	301.386	3.398	10	20	DGCD	
CCCCO[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C1(C)C	841299527	IJDUNLVHJGDMMC-CABCVRRESA-N	305.422	3.374	10	20	DGCD	
CSCC1CCC(NC(=O)NCCc2ccc(N)cc2)CC1	841908026	IKZAHHCBEWGSNT-UHFFFAOYSA-N	321.490	3.032	10	20	DGCD	
CCOc1ccc(CNC[C@@H]2CCCN(CC3CC3)C2)c(O)c1	853093588	OQDZWKARBGWDDH-INIZCTEOSA-N	318.461	3.003	10	20	DGCD	
CSC1(CN[C@@H](C)c2cc(F)cc(F)c2O)CCOCC1	756733988	SOBRREMVNKXVIP-JTQLQIEISA-N	317.401	3.233	10	20	DGCD	
COc1cc(CNCc2cc(C)on2)c(O)c(C(C)(C)C)c1	850075714	XXRQORREQCNYFA-UHFFFAOYSA-N	304.390	3.285	10	20	DGCD	
CC[C@H]1CC[C@@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)O1	756934164	OOEOVRGOSJGFDL-YOEHRIQHSA-N	322.424	3.246	10	20	DGCD	
C[C@@H](NCC1=CCCC1)c1ccc(N2CCOCC2)c(F)c1	850558453	XIJSYCOYRAGBLG-CQSZACIVSA-N	304.409	3.423	10	20	DGCD	
CSc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)ccn1	756662242	ALYTZUMNQYVQGN-JTQLQIEISA-N	319.386	3.268	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1ccccc1O	868423342	ZHIMRDAQXKACAE-LOFBVBFDSA-N	322.408	3.338	10	20	DGCD	
COc1ccc(CN(C)c2ccc(OC)c(OC)c2)cc1O	761219697	AXKJAJNRURHVAF-UHFFFAOYSA-N	303.358	3.054	10	20	DGCD	
COc1cc(CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)c(O)cc1C	768464892	BYYIQSBONMXTDO-SJLPKXTDSA-N	307.434	3.345	10	20	DGCD	
C[C@@H](C(=O)NCc1cccc(Br)c1O)C(C)(C)C	765750723	KVEAHBRDASVOEZ-VIFPVBQESA-N	314.223	3.453	10	20	DGCD	
C[C@@H](NCCCCN)c1cc(Br)cc(Cl)c1O	1118121247	CWCFRULZTMAMSI-MRVPVSSYSA-N	321.646	3.198	10	20	DGCD	
CCCOc1ccc(CN[C@H](C)CO[C@H]2CCOC2)cc1C	873074268	KSICRADSPSCWDT-WBVHZDCISA-N	307.434	3.067	10	20	DGCD	
COc1ccc(CN2CCC3(CC2)CC3(F)F)c(O)c1OC	895156756	MQYMKSZSBMPTFU-UHFFFAOYSA-N	313.344	3.031	10	20	DGCD	
COc1ccc(CN[C@@H]2CCO[C@H](CC(C)C)C2)c(O)c1OC	893320648	SDENPDXBEBWFDC-HUUCEWRRSA-N	323.433	3.093	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@@H]2CC[C@H](C)C2)cc1C	1132538872	RPASYBFCRKKZAM-GOEBONIOSA-N	318.461	3.036	10	20	DGCD	
CC1CCC(OCC(=O)NCc2ccc(N(C)C)c(F)c2)CC1	793279500	GBDVGJYCLRYAGH-UHFFFAOYSA-N	322.424	3.103	10	20	DGCD	
C[C@@H](CCO)CNCc1ccc2c(c1)CCN2Cc1ccccc1	796314898	ICJKGXMENZPRCA-KRWDZBQOSA-N	324.468	3.357	10	20	DGCD	
COc1ccc(N(CCC(C)C)CC(=O)N(C)C2CC2)cc1	796501960	AIUMXNLSHIYYEE-UHFFFAOYSA-N	304.434	3.169	10	20	DGCD	
CCn1cccc(CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)c1=O	1326722211	WMIOJSBRFGEBGV-HIFRSBDPSA-N	312.413	3.220	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@H]1c2ccccc2C[C@@H]1O	1327149133	CZLVPKIUZYCLGH-GKASHWOUSA-N	309.409	3.497	10	20	DGCD	
CN[C@@H](C)CCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	1329023674	MQVXFSLVLLVMOV-GJZGRUSLSA-N	307.457	3.465	10	20	DGCD	
CCN(CCc1cccs1)C(=O)NCc1ccc(N)cc1	1335737742	TZNIJUQPJDAPNQ-UHFFFAOYSA-N	303.431	3.105	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCCC(F)F	1332377366	SJQDUFWQRHRKDU-UHFFFAOYSA-N	300.349	3.359	10	20	DGCD	
CCc1cccc(CN2CCC([C@@H]3CCCNC3)CC2)c1O	1578266230	FQDVBZPBCNCKJL-QGZVFWFLSA-N	302.462	3.166	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CC[C@@H](CO)CC2)cc1F	151408860	UPGDPEKIDRKENL-KOMQPUFPSA-N	308.441	3.313	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2c[nH]c3c(C)cccc23)c1	156454184	QXCCSNXLJBDFBO-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1cccs1)c1ccc(N(C)C)cc1	156919363	WGALZBIZFYVCBS-CXAGYDPISA-N	304.459	3.372	10	20	DGCD	
CC[C@H](NC[C@H]1CCCO1)c1cc(Br)ccc1O	19963691	VOHFTGKOOKSNFN-YPMHNXCESA-N	314.223	3.374	10	20	DGCD	
CCc1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2)s1	50293659	YFDBSHCTLUGIAX-UHFFFAOYSA-N	303.431	3.010	10	20	DGCD	
COc1ccc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)c(O)c1	54441464	TUVVSINAINHVKT-HNNXBMFYSA-N	318.760	3.251	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@H](CN2CCCCC2)C1	93683575	DLXIXOVNXNLOAW-CQSZACIVSA-N	308.853	3.353	10	20	DGCD	
CN1CCC(CN(C)Cc2cc(C(C)(C)C)cc(O)c2O)CC1	103462125	FGBPADWUHXCQRT-UHFFFAOYSA-N	320.477	3.169	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](c1ccccc1)C1CC1	117570582	TWYZUOLUXKDAPS-KOTDBNOLSA-N	309.365	3.379	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H](C(N)=O)c2ccccc2)cc1	125996881	LMILMFWHGZNEJL-KSSFIOAISA-N	311.429	3.020	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)CCCO)c(C)n1-c1ccc(F)cc1	155894940	LVMLRNWGLPYDHQ-LBPRGKRZSA-N	318.392	3.124	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@]12CCCc1ccccc12	158960720	RASSULMNMISRQV-UZLBHIALSA-N	323.392	3.008	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1cnc(-c2ccccc2)s1	171157402	NBUQNXCJHNTBCQ-POHAHGRESA-N	304.421	3.299	10	20	DGCD	
Brc1ccc(CNCc2ccc3c(c2)CCO3)o1	178901706	MGIFGUVNIHDQMF-UHFFFAOYSA-N	308.175	3.267	10	20	DGCD	
CSCCCCCCNC(=O)N(C)Cc1ccccc1O	182202393	UXRBRLCUBUDFAU-UHFFFAOYSA-N	310.463	3.457	10	20	DGCD	
CCc1ccc([C@@H](COC)NCc2cc(OC)ccc2O)o1	182224088	SXBUOBQDDLTLOR-OAHLLOKOSA-N	305.374	3.034	10	20	DGCD	
Cc1cccc(C[C@@H](CO)N[C@@H](C)c2ccc(F)cc2O)c1	191612100	QGXZKQDQEJJSGE-BBRMVZONSA-N	303.377	3.094	10	20	DGCD	
CCOc1ccc(N[C@@H](C)c2cc(OC)ccc2O)cc1CO	193535022	STHSUCVQKNVPEP-LBPRGKRZSA-N	317.385	3.465	10	20	DGCD	
CCC(=O)Nc1ccc(NCc2cccc(OC)c2O)cc1	236814769	JPSAPQWRTMUOFR-UHFFFAOYSA-N	300.358	3.361	10	20	DGCD	
COC[C@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@H](C)O1	249964618	WSQFWLLCDDRWNI-GOEBONIOSA-N	321.461	3.234	10	20	DGCD	
Oc1ccccc1CN(Cc1nccs1)C[C@@H]1CCCO1	269735707	ZQVZTIQJOPQATO-AWEZNQCLSA-N	304.415	3.030	10	20	DGCD	
C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccccc1O	290458350	MXESQPKIABMPCL-CYBMUJFWSA-N	312.417	3.218	10	20	DGCD	
COc1cccc(CN(C)[C@H](CO)c2ccc(Cl)cc2)c1O	295008356	JDIAIIDZZISAFJ-OAHLLOKOSA-N	321.804	3.220	10	20	DGCD	
CC(C)N(Cc1ccco1)C(=O)NCc1ccc(N(C)C)cc1	299421793	RPWWVELEGDCHET-UHFFFAOYSA-N	315.417	3.466	10	20	DGCD	
CC[C@H](N[C@@H]1CCN2CCC[C@@H]2C1)c1ccc(N(C)C)cc1	363792856	OROXUJWLBWYLLU-QRQLOZEOSA-N	301.478	3.420	10	20	DGCD	
CC[C@@H](C)[C@H](CNCc1cc(Br)ccc1O)OC	381108878	BROLTOHIIKVSPT-YGRLFVJLSA-N	316.239	3.305	10	20	DGCD	
COc1cc(Cl)cc(CN(C)CCCOC(C)C)c1O	382774025	BJJRZHBKXLJBID-UHFFFAOYSA-N	301.814	3.301	10	20	DGCD	
C[C@H]1CCC[C@@]1(C)C(=O)N1CCOc2cc(N(C)C)ccc21	410533576	JTOZOGCYDJPVFD-SCLBCKFNSA-N	302.418	3.304	10	20	DGCD	
CC(C)c1cnc(NC(=O)/C=C\c2ccc(O)c(O)c2)s1	588405816	SNTAHGCJBFTINK-XQRVVYSFSA-N	304.371	3.330	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N(C2CC2)[C@@H](C)C2CC2)cc1	739926681	JWTDTNVLDHMLTB-AWEZNQCLSA-N	316.445	3.311	10	20	DGCD	
C[C@H](Cc1ccncc1)NCc1cccc(Br)c1O	749294193	FZSPKWPLZSJWNK-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
Cc1cc(CN[C@H](C)c2ccc(Br)cc2O)n[nH]1	756584650	GVAWJKDDLCRGKV-SECBINFHSA-N	310.195	3.037	10	20	DGCD	
C[C@H](CCCC(F)(F)F)NC(=O)/C=C/c1ccc(O)c(O)c1	757647139	OIGNTXBRAPDXGN-BREXMAIKSA-N	317.307	3.348	10	20	DGCD	
CN(CCOC(C)(C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	769517308	TWCHFCGRYVQONF-UHFFFAOYSA-N	316.785	3.201	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC2(CC2)C1	771321863	APVIYVYWMLCWJF-UHFFFAOYSA-N	301.434	3.147	10	20	DGCD	
COc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(O)c1O	780864268	YCCVJULYSMMCNS-UHFFFAOYSA-N	313.353	3.008	10	20	DGCD	
Cc1cccc(C[C@@H](CO)NCc2cc(Cl)cc(F)c2O)c1	786579189	MZPKUBSNYCPHEG-HNNXBMFYSA-N	323.795	3.186	10	20	DGCD	
C[C@@H]1CCCN(C[C@@H](C)NCc2c(O)ccc(Cl)c2F)C1	790956134	OHDKYFPGSCJGMT-VXGBXAGGSA-N	314.832	3.395	10	20	DGCD	
Cc1cc(CNCc2cccc(C)c2O)cc(N2CCCC2)n1	811513864	TWYRZLBQEMWQOR-UHFFFAOYSA-N	311.429	3.294	10	20	DGCD	
Cc1ccc2c(c1)/C(=C\c1cn(-c3ccccc3)nn1)C(=O)N2C	811699406	TZLXRWZXZOVFHP-GZTJUZNOSA-N	316.364	3.093	10	20	DGCD	
CN1C(=O)/C(=C\c2cnn(CC(F)F)c2)c2cc(Cl)ccc21	814190373	GBTJABOGDLLJNK-QCDXTXTGSA-N	323.730	3.319	10	20	DGCD	
COCCOCCCN[C@H](C)c1cccc(C(F)(F)F)c1O	815554904	LLUZIRFTBMJHDF-LLVKDONJSA-N	321.339	3.115	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(C(C)(F)F)cc2)c1	815835438	UGCJTZPSOGXNHX-UHFFFAOYSA-N	321.323	3.443	10	20	DGCD	
CCN(Cc1ccc(Br)cc1O)C[C@H]1CCOC1	824575655	LRWRAFDIDVHMQD-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccnc1N	827336622	KXJNVOGTAPTYNU-UHFFFAOYSA-N	310.445	3.286	10	20	DGCD	
COc1cc(Br)cc(CN2CC[C@@H]3C[C@@H]3C2)c1O	827507091	UIJBBGPRNZTWAF-NXEZZACHSA-N	312.207	3.005	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](O)CNCc1cc(Cl)c(F)cc1O	827733816	OZWKTSNCRWWWPW-DIFFPNOSSA-N	323.795	3.439	10	20	DGCD	
CCOc1ccc(O)c(CNC2(CC(=O)O)CCCCC2)c1	830084658	IYBDYMQVYRNVFK-UHFFFAOYSA-N	307.390	3.058	10	20	DGCD	
Cc1cc(CN2CC3(CCOCC3)C[C@@H]2C)ccc1N(C)C	830603604	XDDSIFSDAMFNHE-INIZCTEOSA-N	302.462	3.452	10	20	DGCD	
CC[C@@H]1C[C@H]1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	834882992	FQTTYRIJOAONTO-LZWOXQAQSA-N	306.425	3.359	10	20	DGCD	
COc1cccc(CN(CCN(C)C)Cc2ccsc2)c1O	839187655	ZDAGWPYRXWBACM-UHFFFAOYSA-N	320.458	3.026	10	20	DGCD	
CCN(CC1CC1)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840478940	KJNJXASIWKKJQK-OAHLLOKOSA-N	317.477	3.434	10	20	DGCD	
Cc1cnc(Cl)nc1/C=C/c1ccc(N2CCOCC2)cc1	840718290	CQMDLMCNSIJNNI-QPJJXVBHSA-N	315.804	3.445	10	20	DGCD	
COc1cccnc1CNC(=S)Nc1cc(C)ccc1C	840825802	MFWJLGYMHCHMTN-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(N(C)C)cc2C)cc1O	840912049	ZFUDWZNMASPXSH-UHFFFAOYSA-N	314.429	3.407	10	20	DGCD	
CCn1nncc1CNCCc1cc(C)n(-c2ccccc2)c1C	841853402	AHTXQFGYYZJRRU-UHFFFAOYSA-N	323.444	3.038	10	20	DGCD	
COc1ccc(N(C)CC2CCN(C(=O)C(C)(C)C)CC2)cc1	844352653	AOPASLOGHDOICT-UHFFFAOYSA-N	318.461	3.416	10	20	DGCD	
COc1cc(F)c(CN(C)c2ccc3c(c2)OCO3)cc1OC	845950962	QMJBWGIHPFWHNC-UHFFFAOYSA-N	319.332	3.208	10	20	DGCD	
COc1cccc([C@H](C)NC2CCN(C3CCC3)CC2)c1O	846142445	TYALOPRHBHETEN-ZDUSSCGKSA-N	304.434	3.068	10	20	DGCD	
COC[C@@H](N[C@H](C)c1cccc(OC)c1O)c1ccccc1	846150589	JFJZVCOUUBLYTK-CZUORRHYSA-N	301.386	3.439	10	20	DGCD	
Cc1cc(CN2CC[C@H](C(=O)O)[C@@H]2C)ccc1N1CCCCC1	846282724	ASGAHTDIMMJNNF-RDJZCZTQSA-N	316.445	3.280	10	20	DGCD	
Cc1cc(C)n([C@H](C)CC(=O)NCc2cc(Cl)ccc2O)n1	846474069	XOCYFQZOQCFQGA-GFCCVEGCSA-N	321.808	3.126	10	20	DGCD	
CNC(=O)CC1(CN[C@@H](C)c2ccccc2O)CCCCC1	850558116	ZOCZIYMPLCBVBH-AWEZNQCLSA-N	304.434	3.129	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1	852521947	CRAIHORIFMUVRC-PZJWPPBQSA-N	324.468	3.351	10	20	DGCD	
CCCC[C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856213535	POCHTNQLLIKXMI-OAHLLOKOSA-N	318.461	3.090	10	20	DGCD	
CCC[C@@H](OCC)C(=O)NCc1ccc(N2CCCC2)cc1	858451759	ANWALCMIZROIRH-QGZVFWFLSA-N	304.434	3.108	10	20	DGCD	
CN(Cc1cc(F)c(N(C)C)cc1F)C[C@H]1CCCC[C@H]1O	862300427	PBQUXVJSQSOTEH-SJKOYZFVSA-N	312.404	3.014	10	20	DGCD	
COc1ccc(CNCc2ccc(F)c(F)c2N(C)C)c(O)c1	862353763	ZMWURJHJXKVFKJ-UHFFFAOYSA-N	322.355	3.035	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H]3CCOC(C)(C)C3)C2)cc1	872079645	JVOMEQFHABNARE-HOTGVXAUSA-N	318.461	3.069	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1C	873131261	QSIPGTGXSLEOBS-DLBZAZTESA-N	316.445	3.027	10	20	DGCD	
COc1ccc(CNC[C@H](C)c2ccccc2)c(O)c1OC	892437836	SPDFDGOUJJKWDJ-ZDUSSCGKSA-N	301.386	3.303	10	20	DGCD	
COc1ccc(CNCCc2ccccc2Cl)c(O)c1OC	892749660	QEUAPQOONCGZQH-UHFFFAOYSA-N	321.804	3.395	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@H]1C[C@H](O)c1ccco1	894096677	WEBMHVWOZDPGJI-ZFWWWQNUSA-N	323.339	3.352	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)C1CC1	920054704	UHJCUKYBBXWBAE-CQSZACIVSA-N	303.450	3.330	10	20	DGCD	
Nc1ccc(CNC(=O)N(Cc2cccc(F)c2)C2CC2)cc1	1120682542	ZVPXFDNTXRXUMT-UHFFFAOYSA-N	313.376	3.282	10	20	DGCD	
CCn1c(-c2coc(C)c2)nnc1N(C)Cc1ccccc1O	1263035789	FSKNIEZOCUIFFK-UHFFFAOYSA-N	312.373	3.208	10	20	DGCD	
CC(C)n1ncc2c1[C@H](NC(=O)c1cc(O)cs1)CCC2	1329211740	YVVCUWAVFFBZAK-GFCCVEGCSA-N	305.403	3.039	10	20	DGCD	
CC(C)n1cc2c(n1)[C@H](NC(=O)c1cc(O)cs1)CCC2	1329211772	ZBTAQGHMQJROTM-GFCCVEGCSA-N	305.403	3.039	10	20	DGCD	
Oc1c(F)cc(F)cc1CN(Cc1ccco1)C[C@H]1CCCO1	1334343244	VJSWAMGNBYTLLQ-OAHLLOKOSA-N	323.339	3.445	10	20	DGCD	
COc1ccc(CN[C@@H]2c3ccccc3O[C@@H]2C)c(O)c1OC	1355321783	SOTKNTCHENWCIH-BZNIZROVSA-N	315.369	3.021	10	20	DGCD	
c1csc(Sc2ncc(-c3nn[nH]n3)c3ccsc23)n1	1593588920	JABVBRQTLILGBN-UHFFFAOYSA-N	318.412	3.084	10	20	DGCD	
C[C@@H]1[C@H](CC(=O)O)CC[C@@H]1NCc1ccc(N2CCCC2)cc1	1609839042	HJHAYZBKHAWMCS-HFTRVMKXSA-N	316.445	3.266	10	20	DGCD	
C[C@@H](C(=O)N1CCCc2ccccc21)N(C)Cc1ccccc1O	109768884	OWLZNQHWEPTISD-HNNXBMFYSA-N	324.424	3.192	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)c(F)cc2F)c1	178205148	HQFYUSUOQNFTAE-SNVBAGLBSA-N	321.323	3.478	10	20	DGCD	
COc1ccc(N2CCN([C@@H](C)c3ccccn3)CC2)cc1F	122097329	COGABNPFCYOCKC-AWEZNQCLSA-N	315.392	3.113	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCN2CCC[C@@H]2C1	316871781	WNZLDZRJAGAMAG-FPCVCCKLSA-N	300.446	3.465	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)C[C@H]1C	130414406	SQVXDMYGPLFQAJ-CJNGLKHVSA-N	303.402	3.136	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1CC1	45459273	JYNPCACUPAHJML-UHFFFAOYSA-N	301.434	3.228	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCOC3(CCCC3)C2)c1O	136681807	PYXJZJOJPGAGBU-OAHLLOKOSA-N	305.418	3.372	10	20	DGCD	
COCCN(Cc1ccccc1F)c1ccc(OC)c(OC)c1	81155896	FAHHQADNLPBSKW-UHFFFAOYSA-N	319.376	3.496	10	20	DGCD	
Oc1c(Br)cccc1CNCC[C@H]1CCCCO1	227336045	DCGRPERKKMJYLU-GFCCVEGCSA-N	314.223	3.204	10	20	DGCD	
CCCOc1ccc(CN2CC[C@H](CN3CCCC3)C2)c(O)c1	93597913	UVEPABHFFXGBBC-MRXNPFEDSA-N	318.461	3.099	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1	246773940	PAMLVYSFKQWLRC-TYNCELHUSA-N	306.406	3.025	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](C)Cc2ccccc2C)c1O	528863425	WHHVOZQRVOHZNB-CQSZACIVSA-N	313.397	3.204	10	20	DGCD	
CCCCN(CC)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	264688363	COKLHWRCHYJRPT-DHZHZOJOSA-N	316.445	3.185	10	20	DGCD	
CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F	278257734	XVQCDJPBLMWPNZ-AMBAIVKFSA-N	317.307	3.204	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1csc(NC)n1	802657895	CLCWHECDUXXJCW-UHFFFAOYSA-N	319.430	3.333	10	20	DGCD	
COc1cc(O)c(CN2CC3(CCC3)[C@H]2C(C)C)cc1OC	292717201	DUYCCGAQWKGFTB-QGZVFWFLSA-N	305.418	3.420	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1occc1C	291774794	NCPAWPBPCDYHEE-UHFFFAOYSA-N	302.374	3.415	10	20	DGCD	
Oc1c(CN2CCCC[C@@H]2C2OCCO2)ccc2ccccc12	816501227	BBNMLBQZODVXPQ-QGZVFWFLSA-N	313.397	3.273	10	20	DGCD	
CC1(C)CN(Cc2cc(F)ccc2O)C[C@@](C)(C(F)(F)F)O1	816643126	WAFLDOGEQBLFTE-AWEZNQCLSA-N	321.314	3.463	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCNC3(CCC3)C2)c2c(O)ccc(F)c21	817984881	BITYIFDGAIQULH-BZPMIXESSA-N	304.409	3.344	10	20	DGCD	
COc1cc(F)c(F)cc1NCc1cc2c(cc1O)OCO2	810165044	TXQPBUIGPREPHG-UHFFFAOYSA-N	309.268	3.020	10	20	DGCD	
CCC(=CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)CC	819584640	NVFMZCRDMIHWIH-MRXNPFEDSA-N	316.445	3.384	10	20	DGCD	
CCn1cccc(CNCc2ccc3ccccc3c2O)c1=O	816593904	INFCVMWLEDXBEQ-UHFFFAOYSA-N	308.381	3.017	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCCOC[C@@H]2CCOC2)c(O)c1	815582253	BDLRYPPQFJWQND-CVEARBPZSA-N	307.434	3.103	10	20	DGCD	
COc1cc(CNC2CCC(O)CC2)c(O)c(C(C)(C)C)c1	825548513	HJFSRQKYQBDWCT-UHFFFAOYSA-N	307.434	3.091	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC[C@H]1CC1(Cl)Cl	820450604	LCJAJQJMDMNQQV-GQPNGRKGSA-N	317.168	3.238	10	20	DGCD	
COc1cccc(O)c1CN[C@@H]1CCO[C@@H](c2cccs2)C1	825086047	PCNCLMLTGJNDCS-MLGOLLRUSA-N	319.426	3.472	10	20	DGCD	
CC[C@H]1C[C@H](NCc2ccc(N3CCSCC3)cc2)CCO1	823666797	SALOMTXOHXRAEF-AEFFLSMTSA-N	320.502	3.287	10	20	DGCD	
COc1cccc(C(=O)NCc2ccccc2O)c1OC(C)C	830526662	PUGFCKJRYCPTNV-UHFFFAOYSA-N	315.369	3.118	10	20	DGCD	
CC(C)(Oc1ccc(F)cc1)C(=O)NCc1ccccc1O	748353176	NBWSHEGNHFLHLS-UHFFFAOYSA-N	303.333	3.005	10	20	DGCD	
COCC[C@H](C)CN[C@@H](C)c1ccc(Br)cc1O	840835876	RLZHMQMKMYXJRG-QWRGUYRKSA-N	316.239	3.478	10	20	DGCD	
CCc1cccc(CNc2ccc(CNC(=O)OC)cc2)c1O	848891995	HOQCPBHDUDRYMM-UHFFFAOYSA-N	314.385	3.423	10	20	DGCD	
COc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)o1	847400872	ZIGVAVOIOSBZAT-UHFFFAOYSA-N	314.385	3.209	10	20	DGCD	
CC(C)(C)O[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)C1(C)C	840276443	KLHNAAOGHLQTDE-LSDHHAIUSA-N	320.433	3.174	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@H]1Cc2ccccc21	742073668	JOMRFMDSKPHGHU-ZDUSSCGKSA-N	304.440	3.081	10	20	DGCD	
Nc1ccc(NC(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc1	841296499	FLVFLLHODJTVCE-OAHLLOKOSA-N	324.428	3.307	10	20	DGCD	
CN1C(=O)/C(=C/c2ccc3c(c2)OCCCCO3)SC1=S	841495456	JHXILCBGNXMBTB-LCYFTJDESA-N	321.423	3.069	10	20	DGCD	
C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)c1ccc(F)cc1O	756713184	VWMMOGDFACQNTQ-DCGLDWPTSA-N	303.377	3.347	10	20	DGCD	
C[C@H](NC[C@H](O)CCc1ccccc1)c1ccc(N(C)C)cc1	753762622	JNNDYRCMXINBJT-OXJNMPFZSA-N	312.457	3.397	10	20	DGCD	
CCOC(CCCNCc1ccc2c(c1)CCCO2)OCC	921492079	CLQUTIXFSCKQBD-UHFFFAOYSA-N	307.434	3.281	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNCCOCCF)cc1	853091829	VFKOIIZCPGQCQR-UHFFFAOYSA-N	322.449	3.460	10	20	DGCD	
CCOc1cncc(CN[C@@H](C)c2cc(OC)ccc2O)c1	857046732	PUABBOPFFQVRQW-LBPRGKRZSA-N	302.374	3.045	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@@H](Oc2ccccc2Cl)C1	752645004	JTTVQCKWPGVBJQ-LLVKDONJSA-N	323.801	3.401	10	20	DGCD	
CC[C@H](NCCCC(=O)N(CC)CC)c1ccc(N(C)C)cc1	764945576	PLNCCGBRLIHOEM-SFHVURJKSA-N	319.493	3.442	10	20	DGCD	
Cc1cc(CNC(=O)COC(C)C)c(C)n1-c1ccccc1	863165357	VFULPYBNBYAPHS-UHFFFAOYSA-N	300.402	3.135	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC[C@H](C4CC4)C3)cc2)CC1	877535482	OGRYWSIJMZGQBQ-SFHVURJKSA-N	314.473	3.270	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(c3cccc(F)c3F)CC2)c1	769425792	VIOQMNYTVLIBPI-UHFFFAOYSA-N	318.367	3.301	10	20	DGCD	
COC(=O)c1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1	775833610	FJSHAHKLYOEIOD-AWEZNQCLSA-N	312.413	3.390	10	20	DGCD	
OC1CCN(c2ccc(CN3CCc4ccccc4C3)cc2)CC1	876509398	FNWBUSSPJQEJQK-UHFFFAOYSA-N	322.452	3.206	10	20	DGCD	
CCOc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(O)c1	771934834	BCHIAVMNQLOJGT-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
CCN(C)c1ccc(CN2CCCC[C@H]2CC(=O)OC)cc1	773747909	KYRLEMMQRHBVLT-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(O)c2O)cc1	776282106	OLCACSHDQVDHPW-LLVKDONJSA-N	314.337	3.088	10	20	DGCD	
C[C@H](NCC[C@](C)(O)c1ccccc1)c1c(O)cccc1F	886594078	FRXQXWLICOLHKX-UGSOOPFHSA-N	303.377	3.480	10	20	DGCD	
Cc1ccc([C@@H](O)[C@H](C)NCc2cc(F)cc(F)c2O)cc1	883117726	GPBYCCBEOMMWRZ-ZBEGNZNMSA-N	307.340	3.191	10	20	DGCD	
CC[C@@H](N[C@@H](CCO)C(F)(F)F)c1cccc(Cl)c1O	886804439	XZKACGFODWOSLS-MNOVXSKESA-N	311.731	3.400	10	20	DGCD	
CCc1ccc([C@@H](COC)NCc2cc(C)cc(OC)c2O)o1	894269667	ULLOYQFYWQITPR-OAHLLOKOSA-N	319.401	3.342	10	20	DGCD	
FC(F)(F)[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1	1204321149	HEQIMCFDEKLTSJ-OAHLLOKOSA-N	314.351	3.050	10	20	DGCD	
Cc1cc(CNCc2cc(-c3ccccc3)ccc2O)n(C)n1	790602355	URGFJIMNLLKUQB-UHFFFAOYSA-N	307.397	3.391	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ncc(C)s2)c(O)c1OC	1334198965	UUCVSCQXMVDFFV-SNVBAGLBSA-N	308.403	3.025	10	20	DGCD	
C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N)cc1	1346740234	ZCGDLHZBUFKHHC-MAUKXSAKSA-N	323.440	3.432	10	20	DGCD	
O=C(O)CN(CCc1ccccc1)Cc1c(O)cccc1Cl	1602056709	FHQGSJYCNSWGNE-UHFFFAOYSA-N	319.788	3.175	10	20	DGCD	
CCc1oc(CNCc2ccc(N(C)C)cc2C)cc1C(=O)O	1610081694	ROWRRPBRWHOXBK-UHFFFAOYSA-N	316.401	3.204	10	20	DGCD	
Cc1csc(CCCN[C@@H](C)c2cc(C(=O)O)ccc2O)n1	1610546475	UABKVUNUQMWHHC-NSHDSACASA-N	320.414	3.139	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[C@@H](C)NC1	1579674067	MMVGEBAKVSBBKG-BXUZGUMPSA-N	317.458	3.026	10	20	DGCD	
COc1cccc(O)c1CNc1cccc(CCC(=O)O)c1	1594131781	MADIAUDGYBXGSX-UHFFFAOYSA-N	301.342	3.030	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2CCC[C@H](C(=O)O)C2)c(C)c1	1776856577	BCSVNEXIQXHCSS-GOEBONIOSA-N	304.434	3.184	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CC=C(C)C)C(=O)O)c(C)c1	1776855958	BHPALIMXNYJWSP-KRWDZBQOSA-N	304.434	3.350	10	20	DGCD	
CO[C@H]1C[C@@H](NCc2c(O)cccc2Br)C1(C)C	706885045	PGKODIZBHILMFK-OLZOCXBDSA-N	314.223	3.058	10	20	DGCD	
Cc1csc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	43257706	FLEXNWSLKLPQBD-UHFFFAOYSA-N	304.419	3.181	10	20	DGCD	
CCn1c(C)cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1C	103528963	REBFHMFVWUDQMY-LBPRGKRZSA-N	316.401	3.330	10	20	DGCD	
CCc1nnc(CN(Cc2ccco2)Cc2ccccc2O)o1	109761320	JMTSGBRDCKXMCS-UHFFFAOYSA-N	313.357	3.133	10	20	DGCD	
COc1cccc(CNC(=O)C[C@@H]2CCc3ccccc32)c1O	115712020	WNFNFIZBDWFZKP-AWEZNQCLSA-N	311.381	3.137	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(F)c(Cl)c2)c1	125925225	DMPXDXJBFGKDCY-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccnn1C(C)C	137070170	NEAHCOKALBTGPR-UHFFFAOYSA-N	301.390	3.222	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc(N2CCCC2)nc1	155182542	AXLJLILGQVLRCR-UHFFFAOYSA-N	324.472	3.380	10	20	DGCD	
CN(Cc1cc(Br)ccc1O)C[C@H]1CCCOC1	156030752	QBRSTMNHHNJFJP-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1cccnc1Cl	171350620	INZXVQPNWIINLK-LUAWRHEFSA-N	307.806	3.191	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccccc1	183485911	AOJLXXCDIRAMHO-AWEZNQCLSA-N	313.397	3.168	10	20	DGCD	
C[C@H](NC[C@H](CCO)c1ccccc1)c1ccc(F)cc1O	185525355	ANUYZHYPJAYBSM-ZFWWWQNUSA-N	303.377	3.348	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCc2nn(C)c3ccccc23)c1	186480718	GSIUGDVKVJKBQB-CQSZACIVSA-N	309.413	3.481	10	20	DGCD	
CCOc1ccc(O)c(CNCc2ccc(C(C)(C)O)cc2)c1	187504847	QEVGZYYWPWMBBN-UHFFFAOYSA-N	315.413	3.308	10	20	DGCD	
CC(C)Oc1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1	236736317	VYYLVPCJGKVXCV-CQSZACIVSA-N	312.413	3.476	10	20	DGCD	
COC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C)o1	266960482	JWZVKURDPITSCX-HNNXBMFYSA-N	306.381	3.270	10	20	DGCD	
C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1O	276928844	NURWIFYTHCLBSE-SNVBAGLBSA-N	322.311	3.472	10	20	DGCD	
CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1O	287559369	GEJPOJXNICYJRW-GXFFZTMASA-N	312.841	3.390	10	20	DGCD	
Cc1cnc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1	291715844	HYVGIVIMFDAVKD-UHFFFAOYSA-N	313.401	3.246	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1	296353147	IKVLGHKHPZECKN-CABCVRRESA-N	318.461	3.375	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc([C@H]2CCOC2)cc1	297507272	UKMCKIPXWUYIIY-HNNXBMFYSA-N	312.369	3.218	10	20	DGCD	
CCN(CC1CCC1)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	317760685	BDNJUTYLWARNRP-VQHVLOKHSA-N	304.346	3.319	10	20	DGCD	
c1csc(CCCNCc2ccc(N3CCCC3)cc2)n1	391182462	QSFPJMOSAQCCFJ-UHFFFAOYSA-N	301.459	3.466	10	20	DGCD	
C[C@@H](O)CC(C)(C)CNCc1ccc(Br)cc1O	691392710	QSZJXFGRSYFCSZ-SNVBAGLBSA-N	316.239	3.041	10	20	DGCD	
CCn1cc(NCc2cc(Br)cc(F)c2O)cn1	715814264	QVIXJIDUFSCZRK-UHFFFAOYSA-N	314.158	3.122	10	20	DGCD	
O=C1/C(=C\c2cc(F)c(F)c(F)c2)SC(=S)N1C1CC1	728083442	UGPQNQXEHYAUMS-BJMVGYQFSA-N	315.341	3.468	10	20	DGCD	
O=C(NCCCc1nc2c(s1)CCCC2)c1cc(O)cs1	732284339	PRZKTNUJMQKDGN-UHFFFAOYSA-N	322.455	3.152	10	20	DGCD	
CO[C@@H](CNCc1ccc(N2CCCCC2)cc1)C(F)(F)F	733329358	RGNWIYKHBKCEKH-HNNXBMFYSA-N	316.367	3.344	10	20	DGCD	
CCN(Cc1cccc(OC)n1)c1ccc(OC)c(OC)c1	738309332	NFGBPRNLOPGPFY-UHFFFAOYSA-N	302.374	3.134	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCCC[C@@H]1C1OCCO1	740759307	XEBKHDXWLARHFF-QGZVFWFLSA-N	313.397	3.273	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C)[C@H]1C	745826395	AHYHEQOSCWOCCO-UKRRQHHQSA-N	303.450	3.391	10	20	DGCD	
C[C@@H](NCCCOCC(F)(F)F)c1cc(F)cc(F)c1O	756399714	FTPAFBCNYSOAHY-MRVPVSSYSA-N	313.266	3.290	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1O	756514032	CXPNFRYVORKIHS-JTQLQIEISA-N	305.324	3.456	10	20	DGCD	
C[C@H](O)CCN[C@H](C)c1cc(Br)cc(Cl)c1O	756573919	SZBKKUVMIWZDCE-JGVFFNPUSA-N	322.630	3.230	10	20	DGCD	
C[C@H](NCC1(O)CCCC1)c1ccc(Br)cc1O	756575336	PGABZHGCBVNGHO-JTQLQIEISA-N	314.223	3.110	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1c(F)cccc1F)c1cc(F)ccc1O	756741859	XQDLROJHZYSICU-RFAUZJTJSA-N	311.303	3.194	10	20	DGCD	
C[C@H](NC[C@H](O)c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1	764769806	LLBYIPYMNUJLPR-SGTLLEGYSA-N	320.383	3.415	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ncc(C)s1	765492768	QCSOUXDOASMUKF-UHFFFAOYSA-N	304.415	3.138	10	20	DGCD	
COC(=O)c1oc([C@@H](C)OC(=O)c2cc(O)cs2)cc1C	767345010	INZLAQONAPXITM-MRVPVSSYSA-N	310.327	3.060	10	20	DGCD	
COc1cc(CN2CCc3c2cccc3[N+](=O)[O-])c(O)cc1C	768465907	SFLZDJJCJJNIKO-UHFFFAOYSA-N	314.341	3.180	10	20	DGCD	
COc1cc(SC)ccc1NC(=O)NCc1ccccc1O	772639759	HBAIWTSHLQGIGE-UHFFFAOYSA-N	318.398	3.444	10	20	DGCD	
C[C@@]1(CNC(=O)NCc2ccccc2O)CCCc2ccccc21	774765991	PASMMNBIRZISBX-FQEVSTJZSA-N	324.424	3.486	10	20	DGCD	
OC[C@]1(NCc2cc(Cl)cc(F)c2O)CCc2ccccc21	776252743	XDOLTTJGUHGZKS-QGZVFWFLSA-N	321.779	3.108	10	20	DGCD	
CCOc1ccc(CN[C@H](CCOC)c2ccco2)c(O)c1	779990517	HIBNHZORYGBTEZ-OAHLLOKOSA-N	305.374	3.251	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)[C@@H](O)c2ccc(C)cc2)c1	797057750	BFUPQNOPWCKTKK-IQUTYRLHSA-N	315.413	3.482	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCc3ccccc3OC2)c1O	800890605	WYNNMWLKIVFHPT-MRXNPFEDSA-N	313.397	3.274	10	20	DGCD	
CC(C)SCCNC(=O)NCc1ccc2c(c1)CCCN2C	806011074	BUMIVNDNMFLOEA-UHFFFAOYSA-N	321.490	3.010	10	20	DGCD	
CC[C@@H](NC[C@H](COC)OC)c1ccc(C(F)(F)F)cc1O	810236102	YLQUPXZTWQQQKS-DGCLKSJQSA-N	321.339	3.113	10	20	DGCD	
Oc1c(CN2CC(O)(c3ccc(F)cc3)C2)ccc2ccccc12	816600808	IFITVVYQQXLFAA-UHFFFAOYSA-N	323.367	3.388	10	20	DGCD	
CCc1nocc1C(=O)NCc1ccc(N2CCCCC2)cc1	824261397	CJFRCHVQYYYOKQ-UHFFFAOYSA-N	313.401	3.157	10	20	DGCD	
C[C@@H](NC(=O)CCCc1ccc(O)c(F)c1)c1ccccc1O	827947032	YVHJPYGZMDZLGU-GFCCVEGCSA-N	317.360	3.437	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H]1COC3(CCCCCC3)O1)CC2	834737879	ZPYHLADURJOTOA-HOTGVXAUSA-N	317.429	3.435	10	20	DGCD	
C[C@@H](NCC(C)(C)C1(O)CCCC1)c1cc([N+](=O)[O-])ccc1O	834906299	OMGIJYAKPIMDLU-GFCCVEGCSA-N	322.405	3.282	10	20	DGCD	
C[C@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1	839562909	FMIAGCKEWGVREQ-LIRRHRJNSA-N	323.440	3.357	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cccc2nccn12	840978103	ZXQIXSIFVBSEEM-INIZCTEOSA-N	322.456	3.430	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CC[C@H](c2cccnc2)C1	842624342	YSRVXRSWAJHYBZ-INIZCTEOSA-N	305.381	3.325	10	20	DGCD	
C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl	842929688	RATPUXZZPKSVER-RDBSUJKOSA-N	324.852	3.005	10	20	DGCD	
C[C@@]1(Cc2noc(Cc3ccc(N)cc3)n2)CC1(Cl)Cl	843239150	FDUSONIHKUGKKZ-CYBMUJFWSA-N	312.200	3.369	10	20	DGCD	
CCc1cccc(CNCCc2ccc3c(c2)OCCO3)c1O	848891326	OXSXVNKEULWFDR-UHFFFAOYSA-N	313.397	3.058	10	20	DGCD	
Cc1ccc([C@H](C)NCC2CCN(CC3CC3)CC2)c(O)c1	850585388	WRGJKGPRUMNXEM-HNNXBMFYSA-N	302.462	3.473	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1cc(OC)ns1)CCC2	852171832	AZSZFPILTPDRLO-UHFFFAOYSA-N	320.414	3.122	10	20	DGCD	
CCSC1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	852261767	VGSLGEMEKFZYSA-ZDUSSCGKSA-N	321.490	3.399	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H]1CCCN(CC3CC3)C1)CC2	853240602	OWJMWKLOHPFNQG-RDJZCZTQSA-N	300.446	3.091	10	20	DGCD	
Cc1cc(C(=O)NCCC(C)(C)F)c(C)n1-c1ccccn1	855746398	AWMCKKKSVQJIQF-UHFFFAOYSA-N	303.381	3.357	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCC(=O)c2ccc(C)s2)c1	862761239	KSAGVCBDIGBZIH-UHFFFAOYSA-N	317.410	3.350	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@@H](CNC(=O)C(C)(C)C)C1	876719869	XOFSQNWOFZYAGA-HNNXBMFYSA-N	318.461	3.075	10	20	DGCD	
Cc1ccc(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)c(O)c1	877493246	BGHSUXBPGLNEEN-KRWDZBQOSA-N	324.424	3.186	10	20	DGCD	
Cc1ncc([N+](=O)[O-])n1CCN(C)c1ccc(OC(C)C)cc1	878511637	FPYUGWROKFNKGQ-UHFFFAOYSA-N	318.377	3.023	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCOC2(CCC2)C1)c1ccc(N(C)C)cc1	890030497	FJQPYXCJIZUGIB-ZBFHGGJFSA-N	316.445	3.279	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2Cc3ccccc3[C@H]2N)c2c(O)ccc(F)c21	902437011	GHLKTPQPWANSFV-FFONGLNXSA-N	312.388	3.294	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCNC(C)(C)C	935855990	TZKKXOXJKMJPSX-UHFFFAOYSA-N	306.450	3.299	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc3c(c2)CCC3)cc1	1261370832	WBNKSXBJEDZJDP-FQEVSTJZSA-N	309.457	3.031	10	20	DGCD	
CCOc1ccc(N2CCN([C@H](C)c3ccncc3)CC2)cc1	1319847913	QMFCHBNDVNULIK-MRXNPFEDSA-N	311.429	3.364	10	20	DGCD	
OCC[C@H](NCc1ccc(N2CCCC2)cc1)c1ccco1	1320583167	FHBXADYGMOBEEV-KRWDZBQOSA-N	300.402	3.093	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@H]1CCc2ccccc21	1324511906	AMHNZOHBARJAKX-DHINHOHASA-N	323.392	3.347	10	20	DGCD	
C[C@H](N[C@H](C)c1c(F)cncc1F)c1cc(C(=O)O)ccc1O	1604322982	STGCDZMNSBTXAE-DTWKUNHWSA-N	322.311	3.175	10	20	DGCD	
CN(Cc1nccc2ccccc12)c1ccc(OCC(=O)O)cc1	1610125637	AYZAEXOLBGLVRC-UHFFFAOYSA-N	322.364	3.335	10	20	DGCD	
COc1ccc2c(c1)CCN2[C@H](C(=O)O)c1ccc(F)cc1	1777373324	MHUDODCHUCKVLW-INIZCTEOSA-N	301.317	3.023	10	20	DGCD	
O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1C1CC1	28975329	BAGFNSBIYSKKHC-WDZFZDKYSA-N	311.815	3.409	10	20	DGCD	
COc1cc(C)sc1C(=O)NCc1ccc(N(C)C)cc1C	115282082	KXVTVDGLIZNNPB-UHFFFAOYSA-N	318.442	3.370	10	20	DGCD	
COc1cccc(CN(C)Cc2cnn(-c3ccccc3)c2)c1O	121354264	ASSSRWSCASHCBL-UHFFFAOYSA-N	323.396	3.219	10	20	DGCD	
C[C@H](OC1CCCCCC1)C(=O)N(C)Cc1ccccc1O	121462025	WARZTFBLAYBFAG-AWEZNQCLSA-N	305.418	3.479	10	20	DGCD	
CN(Cc1cc(Br)ccc1O)C[C@H]1CCCCO1	132605277	IVLUUTUILUDKHG-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1cccc2cccnc12	136947191	HGFVKXDPAQYYDF-UHFFFAOYSA-N	306.365	3.142	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)CCc2nccs2)c1O	157468642	YYXWIZJOTPNWEE-UHFFFAOYSA-N	324.833	3.379	10	20	DGCD	
CC(C)c1cc(C(=O)NCCCSc2nccs2)no1	164061681	XIKPQSNCTFCZAA-UHFFFAOYSA-N	311.432	3.167	10	20	DGCD	
CCCN(C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1	171435290	POMYBKCXKSVFNU-UHFFFAOYSA-N	301.434	3.153	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)sc1C	183414929	DCBVSIBTNHTPKF-SNVBAGLBSA-N	305.399	3.137	10	20	DGCD	
CC(C)COC[C@@H](O)CN[C@@H](C)c1ccc2ccccc2c1O	185117128	IINQSKHSAFUOST-HOCLYGCPSA-N	317.429	3.230	10	20	DGCD	
CCc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	186661671	ALQWAKNLIRDTHK-GFCCVEGCSA-N	314.385	3.413	10	20	DGCD	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1ccc(N)cc1	237407211	FEJGVXFSWADLGA-LLVKDONJSA-N	304.340	3.309	10	20	DGCD	
Cc1ccc([C@H](C)NCCN(C)CC(F)(F)F)c(O)c1C	273610844	VTIJERXHOZLFRR-LBPRGKRZSA-N	304.356	3.154	10	20	DGCD	
Cc1sc(CC(=O)N(C)Cc2ccccc2O)nc1C(C)C	279538601	SWXRKNSVLOMMJW-UHFFFAOYSA-N	318.442	3.482	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1C	290819800	GSMXLCJCWCYURR-HNNXBMFYSA-N	305.809	3.306	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H](O)c1cc(F)cc(Cl)c1)CC2	296247275	BCEYGGXIDIWEES-HOCLYGCPSA-N	321.779	3.495	10	20	DGCD	
CCNc1nccnc1N1CC=C(c2c[nH]c3ncccc23)CC1	663370513	QMPPZPUVDGUIQE-UHFFFAOYSA-N	320.400	3.078	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)C[C@H]2C)cc1	740906963	KGGFSQGUGVYODQ-LSDHHAIUSA-N	303.450	3.473	10	20	DGCD	
COc1c(F)cc(NC(=O)NCc2ccccc2O)cc1F	748446993	JAERIOUYKLEMER-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)C1(C)CC1	752976749	LXDPSPZYUBWYOE-AWEZNQCLSA-N	303.450	3.391	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@@](C)(O)C2CC2)cc1	755438778	FGLPIKWCZZPFFK-LJQANCHMSA-N	318.461	3.042	10	20	DGCD	
CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1C	756984104	CRLSMFBXLKCURB-RHSMWYFYSA-N	303.450	3.439	10	20	DGCD	
C[C@@H]1c2ccccc2OCCN1Cc1cc2c(cc1O)OCO2	768929532	IXRPWMNWGRBSST-GFCCVEGCSA-N	313.353	3.077	10	20	DGCD	
Cc1ccc(-c2[nH]nc(NC(=O)c3cc(O)cs3)c2C)o1	771670048	USSINSWUDFHABP-UHFFFAOYSA-N	303.343	3.306	10	20	DGCD	
C[C@@H](NC[C@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1O	774377330	FZXDNWQJEAUJRY-BXUZGUMPSA-N	310.388	3.338	10	20	DGCD	
COc1cc(O)c(CNCc2ccc([C@@H]3C[C@H]3C)o2)cc1OC	776024883	ZLJUZWPLYGTPJE-BXUZGUMPSA-N	317.385	3.416	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]2C(C)(C)O)cc1F	779165245	FOBZKQQIVCBDJM-QGZVFWFLSA-N	308.441	3.407	10	20	DGCD	
COc1cccc2ncnc(N(C)Cc3ccc(N(C)C)cc3)c12	782944998	MEAANWXUMDCGML-UHFFFAOYSA-N	322.412	3.341	10	20	DGCD	
CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OC)cc1O	794379795	WIZDUVWPLNOBGY-HNNXBMFYSA-N	313.397	3.286	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCOC3)C2)cc1C(C)C	794707407	RWIORVCONDVEOQ-KXBFYZLASA-N	319.445	3.204	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCCO1	799162363	RGTRBTSVLZJHNZ-OAHLLOKOSA-N	307.434	3.396	10	20	DGCD	
O=C(OCC(=O)c1ccc(O)c(O)c1)/C(F)=C\C1CCCCC1	814540582	ZBJGKLABUMWRPM-MDWZMJQESA-N	322.332	3.257	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(C(C)C)nc2C)c(O)c1	816549972	DVVWFBKDSUIGIK-UHFFFAOYSA-N	314.385	3.158	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1csnn1	817295512	JKWZCFRUMVSHRL-ZDUSSCGKSA-N	303.431	3.382	10	20	DGCD	
CC[C@](C)(CNCc1cc(C)cc(Br)c1O)OC	824743810	NQTQADVTETXTGH-CQSZACIVSA-N	316.239	3.368	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1Cl	825291293	IQVQMOZQRVWABZ-TZMCWYRMSA-N	324.852	3.091	10	20	DGCD	
O=C(c1cc(O)cs1)N1C[C@@H]2CCCN2c2ccccc21	827158053	MSUOVNXNCPGZNL-NSHDSACASA-N	300.383	3.083	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](CCO)c1cccs1	840934122	MJIAMMLWKVAYRH-MRXNPFEDSA-N	304.459	3.336	10	20	DGCD	
CCC1(CC)[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C[C@H]1OC	841299219	XBHRGWAFHXSSNJ-LSDHHAIUSA-N	305.422	3.326	10	20	DGCD	
C[C@@H](NC[C@@H](O)COc1ccccc1)c1ccc(Cl)cc1O	841745514	ZDZOSOKRIWXNIH-TZMCWYRMSA-N	321.804	3.136	10	20	DGCD	
CN(C(=O)NCCc1ccc(N)cc1)C1CCC(C)(C)CC1	841959087	UHYOEKWIRLLYOR-UHFFFAOYSA-N	303.450	3.422	10	20	DGCD	
CC1=C(C)C[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	843851874	SLFIXYFDODRJIP-HIFRSBDPSA-N	303.402	3.282	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@H](N[C@@H](C)c2cc(OC)ccc2O)[C@H]1C	845970878	FAVAKLZURJCDSF-QCQGSNGOSA-N	321.417	3.029	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(C(F)F)nc2)cc1	846784152	HYOSLYATSZQHFJ-UHFFFAOYSA-N	305.328	3.015	10	20	DGCD	
COc1cc(CNC[C@@H]2CC[C@H](C)O2)c(O)c(C(C)(C)C)c1	850320491	JXGVGKJBBPHLMJ-JSGCOSHPSA-N	307.434	3.355	10	20	DGCD	
CC[C@H](NC[C@H]1CCCN1CC(F)F)c1ccc(C)cc1O	858479360	PQYWSQBNPANRNB-HIFRSBDPSA-N	312.404	3.471	10	20	DGCD	
Cc1cc(CNC(=O)CCc2ccon2)c(C)n1-c1ccccc1	863164561	NROCMYTZHQDBGV-UHFFFAOYSA-N	323.396	3.331	10	20	DGCD	
CCO[C@@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863166510	VZGKNSNPPSLJOX-HNNXBMFYSA-N	300.402	3.135	10	20	DGCD	
C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1O	866160907	HJFRGCJUJMKUFR-CYBMUJFWSA-N	313.401	3.337	10	20	DGCD	
Cc1nonc1CN[C@H](C)c1cc(Cl)c(Cl)cc1O	872135001	BQZRFZKVQWMRAW-ZCFIWIBFSA-N	302.161	3.241	10	20	DGCD	
Cc1cccc(O)c1CN[C@@H]1CCN(c2ccccc2F)C1	877545328	FWUMHPAXPXIIJC-CQSZACIVSA-N	300.377	3.208	10	20	DGCD	
OCCC[C@@H](NCc1cc(F)cc(F)c1O)c1ccccc1	883016656	HJXIKSFUXVHFLS-MRXNPFEDSA-N	307.340	3.274	10	20	DGCD	
COC(=O)Cc1cccc(NCc2cc(C)cc(OC)c2O)c1	894422256	ITHUHFXJFQCRPZ-UHFFFAOYSA-N	315.369	3.037	10	20	DGCD	
C[C@@H](NCCc1c(F)cccc1F)c1cc(C(=O)O)ccc1O	1593272769	BBWHFEDCMPOCFQ-SNVBAGLBSA-N	321.323	3.262	10	20	DGCD	
C[C@H](NC[C@H](C)N1CCCC[C@H]1C)c1cc(C(=O)O)ccc1O	1604331810	GSHIPBVKXDIYGF-RDBSUJKOSA-N	320.433	3.004	10	20	DGCD	
CN(C)c1ccc(CNCc2cc(C(=O)O)ccc2Cl)cc1	1606055118	BPCRRMAMLQNLHN-UHFFFAOYSA-N	318.804	3.394	10	20	DGCD	
C[C@@H](CCc1ccco1)N[C@@H](C)c1cc(C(=O)O)ccc1O	1609740391	DYIQMBDSGXAFQH-RYUDHWBXSA-N	303.358	3.355	10	20	DGCD	
CC(C)(C)CC[C@](C)(NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776246824	JXBNHLHIZHBWBF-INIZCTEOSA-N	324.377	3.060	10	20	DGCD	
COc1ccc(/C=C2\SC(=S)NC2=O)cc1OCC(C)C	5128451	ZUPQUUFJQQJQOI-QPEQYQDCSA-N	323.439	3.219	10	20	DGCD	
CC(C)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)n[nH]1	52807199	XXJBLGBLVJQJKZ-UHFFFAOYSA-N	312.417	3.063	10	20	DGCD	
CN1C(=O)/C(=C/c2cccc(OC(F)F)c2)SC1=S	57771505	FUXCWWFSMSTTRT-TWGQIWQCSA-N	301.339	3.119	10	20	DGCD	
CCOc1cccc(NC(=O)NCc2cccc(OC)c2O)c1	105009379	BWFGKEXCIZYCBY-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
Cc1ccc(CCCC(=O)NCCc2ccc(O)c(O)c2)s1	122090919	QXGDVQMOYSGOCJ-UHFFFAOYSA-N	319.426	3.149	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCS[C@@H]2COCC[C@@H]21	131092356	CXAGUQVBVCYKAE-FUHWJXTLSA-N	315.438	3.252	10	20	DGCD	
CC[C@@H](NCc1ccon1)c1cc(Br)ccc1O	148710649	UCHINJBCBXDBDS-GFCCVEGCSA-N	311.179	3.384	10	20	DGCD	
COc1ccc(N(Cc2cnn(C)c2)Cc2ccco2)cc1F	150863439	IZGMJZVFYIRNRW-UHFFFAOYSA-N	315.348	3.368	10	20	DGCD	
CCCCNC(=O)C1(NCc2cc(C)ccc2O)CCCCC1	154638946	IDYPCYADDJQJMY-UHFFFAOYSA-N	318.461	3.409	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCSCC2)cc1)[C@H]1CCOC1	163622026	XCOXOQSGRFMOFT-WMZOPIPTSA-N	320.502	3.145	10	20	DGCD	
Cc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C	173194423	CCCXCDXYTJOVMP-UHFFFAOYSA-N	310.397	3.409	10	20	DGCD	
CCc1ccc([C@H](COC)NCc2ccc3c(c2)CCO3)o1	174476085	LFOPVZMZOXRNGW-INIZCTEOSA-N	301.386	3.254	10	20	DGCD	
CCCCN(C)C(=O)C1CCN(Cc2cc(F)ccc2O)CC1	179948032	FYBVEUMQAPGMCD-UHFFFAOYSA-N	322.424	3.002	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1	180059333	PZVXIEYYVUKJBL-QGZVFWFLSA-N	323.314	3.383	10	20	DGCD	
CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccccc2O)cc1	183671546	NJWIYYZREKSAIO-CYBMUJFWSA-N	319.426	3.037	10	20	DGCD	
CC(C)CC(=O)N1CCC(N[C@@H](C)c2ccc(F)cc2O)CC1	185214985	JGVJGIDMNABFRN-ZDUSSCGKSA-N	322.424	3.219	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@@H](C)c2ccc(F)cc2O)cc1	185825978	UEUOLYVCIRWIAQ-YVEFUNNKSA-N	319.376	3.314	10	20	DGCD	
CCn1ncnc1CN(c1ccc(OC)cc1)[C@@H](C)C1CC1	193426277	BDBUTVHWXLTVAL-ZDUSSCGKSA-N	300.406	3.112	10	20	DGCD	
Cc1ccc(C[C@@H](C)NC(=O)NCc2ccccc2O)s1	265774401	HXJBWEFMKHDGKM-LLVKDONJSA-N	304.415	3.193	10	20	DGCD	
Cc1c(CNC(=O)c2ccc3cncn3c2)n(C)c2ccccc12	341656214	YXQFLCHMWGJQEW-UHFFFAOYSA-N	318.380	3.064	10	20	DGCD	
CCO[C@@H](C)c1noc(CN(CC)c2ccc(OC)cc2)n1	736621035	QDDWQIYWHRSBJL-LBPRGKRZSA-N	305.378	3.202	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCC(C)(C)SC)cc1	743553475	MCPBKVPIZUXERF-UHFFFAOYSA-N	323.506	3.474	10	20	DGCD	
CCN(CC(=O)N(CC(C)C)C1CC1)c1ccc(OC)cc1	746107947	SOANDEUTONGVSJ-UHFFFAOYSA-N	304.434	3.169	10	20	DGCD	
COc1ccc([C@H](O)CN[C@@H](C)c2cc(F)cc(F)c2O)cc1	756381541	MSIXEYXREKCAQW-MGPLVRAMSA-N	323.339	3.063	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1cccs1)c1cc(F)cc(F)c1O	756593021	LCSBISQCLLOSSG-BJOHPYRUSA-N	313.369	3.290	10	20	DGCD	
COc1ccc(N2CCN(CCCOC(C)(C)C)CC2)cc1F	756896812	LQIRMIJAUOCBHL-UHFFFAOYSA-N	324.440	3.162	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CC(C)(C)OC2(C)C)c1	757630478	KRKAZCCBFXREQZ-ABAIWWIYSA-N	321.417	3.176	10	20	DGCD	
CCC(=CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)CC	759249432	WOULKYLJDRRCCM-UHFFFAOYSA-N	320.408	3.229	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](N3CCCC3)C2)cc1F	769228995	HPTNAODAKSFTFE-QGZVFWFLSA-N	319.468	3.342	10	20	DGCD	
COC(=O)C(C)(C)N(C)Cc1cc(-c2ccccc2)ccc1O	769306926	VSMJEHPTJLHXJG-UHFFFAOYSA-N	313.397	3.443	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCN(C2CCC2)CC1	769410398	CBSPQAMGYNBSKC-UHFFFAOYSA-N	315.244	3.369	10	20	DGCD	
O=S(=O)(CCC1CC1)N(Cc1ccccc1O)C1CCCC1	770690404	XDVIYVCXPQMAAT-UHFFFAOYSA-N	323.458	3.267	10	20	DGCD	
CCC(C)(C)N[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	773412992	JFDBFWGITDPGJD-ZDUSSCGKSA-N	318.461	3.054	10	20	DGCD	
COCc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)cc1	774483622	GVBCMVPWKPVXQC-LBPRGKRZSA-N	315.369	3.498	10	20	DGCD	
COc1cccc(O)c1CNc1ccc(C(=O)N(C)C)c(C)c1	775117352	CPCWCBRSFICDHI-UHFFFAOYSA-N	314.385	3.023	10	20	DGCD	
CC[C@H](NCCC(=O)N[C@H](C)CC)c1cc(Cl)ccc1O	775488555	IXKGPXXSJCDUEZ-RISCZKNCSA-N	312.841	3.391	10	20	DGCD	
C[C@@H](NCCc1cncn1C)c1ccc(Cl)c(Cl)c1O	788258905	ZDXVRHWHTMLJTR-SECBINFHSA-N	314.216	3.326	10	20	DGCD	
CCC(O)(CC)CNCc1ccc(N(C)C)cc1C(F)(F)F	792941396	UVFQFRGBTQQUBK-UHFFFAOYSA-N	318.383	3.412	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(O)c1	793058788	MNFKUSGXNPNMQA-UMVBOHGHSA-N	318.417	3.169	10	20	DGCD	
COc1ccc(CNC(=O)c2c(F)cccc2SC)c(O)c1	799007014	UXCNELWMJHLMSA-UHFFFAOYSA-N	321.373	3.192	10	20	DGCD	
C[C@@H](O)CCN(C)Cc1ccc2c(c1)CCN2Cc1ccccc1	809578776	QMVPGHJYEGPZPZ-QGZVFWFLSA-N	324.468	3.452	10	20	DGCD	
Cc1cc(CN2CC[C@@H](N3CCCCC3)C2)ccc1N(C)C	815041850	FHAADFILOYJAFG-GOSISDBHSA-N	301.478	3.121	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@@H](CC)c1ccc(N(C)C)cc1	815633262	KAZCLFSISZWXEV-QAPCUYQASA-N	319.493	3.346	10	20	DGCD	
Oc1c(CNCCCOC[C@H]2CCOC2)ccc2ccccc12	816553309	PVRWFWYNACXTKF-OAHLLOKOSA-N	315.413	3.078	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)C3CC3)C2)cc1	819591690	VJSWBCDATGQLPB-CQSZACIVSA-N	316.445	3.074	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3cncc(Cl)n3)C2)cc1	819935515	MVRPVUUYYLATRF-LBPRGKRZSA-N	318.808	3.077	10	20	DGCD	
CCOC(=O)[C@@H]1CCC[C@@H]1NCc1c(O)ccc(Cl)c1F	825041022	YXERQYJIYZFMFX-SKDRFNHKSA-N	315.772	3.006	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC(C)(C)[C@@H]3COC[C@@H]32)c1	840152782	JDDXVKYSIVXJOE-CABCVRRESA-N	319.445	3.252	10	20	DGCD	
CSC[C@@H](C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840306174	RXAPULXOLJEIIU-UONOGXRCSA-N	323.506	3.043	10	20	DGCD	
COc1ccc(NCc2ccc(N(C)C)cc2C)cc1CO	840925382	LVWHDAKTGMHWDT-UHFFFAOYSA-N	300.402	3.174	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cccc2c1OCC(=O)N2	840946809	OVZBUEWUPZYEGM-UHFFFAOYSA-N	311.385	3.004	10	20	DGCD	
Oc1ccc(Cl)cc1CNc1cc(N2CCCCC2)ncn1	845709039	LOCITSVEGWPVOA-UHFFFAOYSA-N	318.808	3.438	10	20	DGCD	
CCc1cccc(CNC[C@@H](c2ccco2)N2CCCC2)c1O	848890429	IOFYZGOFOKLKJU-KRWDZBQOSA-N	314.429	3.474	10	20	DGCD	
CN(C)c1ccc(CNC(=N)Nc2cc(F)ccc2F)cc1F	849081170	KPCSHUBSUQGIER-UHFFFAOYSA-N	322.334	3.306	10	20	DGCD	
Cc1cc(CNS(=O)(=O)C2(C)CC2)c(C)n1-c1ccccc1	859362748	KGLJCCGWYXQQEB-UHFFFAOYSA-N	318.442	3.066	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)COC[C@@H](C)c2ccccc2)c1	862754725	IKDAHWXVRCQHLG-OAHLLOKOSA-N	313.397	3.137	10	20	DGCD	
CCOc1ccc(CNc2cc(C(N)=O)ccc2Cl)c(O)c1	863996462	XLSHWDIYVULQQK-UHFFFAOYSA-N	320.776	3.155	10	20	DGCD	
Cc1ccc(CNc2ccc(N3CCOCC3)c(C)c2)c(O)c1	877195875	PLFXNQCTKXCTBZ-UHFFFAOYSA-N	312.413	3.458	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(F)F)[nH]n1	878008398	HDCBBHKTAYRHQU-UHFFFAOYSA-N	322.359	3.076	10	20	DGCD	
COCC1CN(Cc2ccc(N(C)Cc3cccs3)cc2)C1	895970225	TUDBKFCSKLFNAS-UHFFFAOYSA-N	316.470	3.463	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C(=O)O)c1ccccc1F	901751059	UAFZLQZWZFUMMP-KRWDZBQOSA-N	316.376	3.116	10	20	DGCD	
CCC/C(C)=C\C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	920882524	RRIOTQOUASBWGW-FCFCDCELSA-N	316.445	3.447	10	20	DGCD	
COC[C@@H](C)n1ccc(NCc2cc(F)c(N(C)C)cc2F)n1	1118804491	LXDXRILUXNCZQC-LLVKDONJSA-N	324.375	3.047	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnc2[nH]ncc2c1	1263819946	HQWIPVOPBYFTSI-UHFFFAOYSA-N	324.384	3.106	10	20	DGCD	
CN(C)c1ccc(NCc2cc(F)c(N(C)C)cc2F)cn1	1328690561	XBQSLXSNBNEEQO-UHFFFAOYSA-N	306.360	3.104	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C[C@H]3C=CCC3)CC2)cc1	1338308832	FBISWPRCYUSAQI-HNNXBMFYSA-N	314.429	3.137	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CCC[C@H]1C1CCC1	1338749592	IIUYOOMXGPYTGT-NSHDSACASA-N	304.419	3.018	10	20	DGCD	
CN(C)[C@H]1CCCC[C@@H]1NCc1c(O)ccc(Cl)c1F	1338928171	CCFZCXNOVOOZOM-STQMWFEESA-N	300.805	3.147	10	20	DGCD	
CCOc1ccccc1NCc1ccc(OC)c(OC)c1O	1342882043	WTTJKOLRJUBAIJ-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC=C(Cl)Cl)c1	1346572151	DYCKJSAGGXMURP-MRVPVSSYSA-N	319.188	3.080	10	20	DGCD	
C[C@@H](NCC(C)(C)C1(O)CCCC1)c1cc(C(=O)O)ccc1O	1593239923	IJGUJVIWNLWLHI-GFCCVEGCSA-N	321.417	3.072	10	20	DGCD	
O=C(O)[C@@H]1CCN(Cc2cc(F)ccc2O)c2ccccc21	1594934008	PSVAISXZNHCASY-CQSZACIVSA-N	301.317	3.110	10	20	DGCD	
CN(C[C@H]1CCc2ccccc21)c1ccc(OCC(=O)O)cc1	1598466550	CKDIYTKMYCMXMT-OAHLLOKOSA-N	311.381	3.316	10	20	DGCD	
O=C(O)c1cccc(NCc2cc(Cl)cc(Cl)c2O)n1	1602448678	JMJTWKALUJMEFW-UHFFFAOYSA-N	313.140	3.404	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)[C@@H]2CC=CCC2)c(C)c1	1776856146	WAFUYZCCUCWPAX-CRAIPNDOSA-N	316.445	3.350	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CC2CCC(OC)CC2)c1	89487166	WJYDOFZSWUDMOC-HSBZDZAISA-N	321.417	3.173	10	20	DGCD	
CC[C@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1	91929323	AMKQKBVACASZFX-JTQLQIEISA-N	314.223	3.395	10	20	DGCD	
CN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1O	109773619	KXWJSZYSGPJRRX-UHFFFAOYSA-N	324.424	3.260	10	20	DGCD	
COCc1ccccc1NCc1ccc(N2CCOCC2)cc1	121466521	RUFSPPNTZDFXSZ-UHFFFAOYSA-N	312.413	3.282	10	20	DGCD	
COc1cccc(CN(C)CCOc2ccc(F)cc2)c1O	121476489	JTINNOQUOPKWPI-UHFFFAOYSA-N	305.349	3.051	10	20	DGCD	
CC[C@@H]1CO[C@@H](C)CN1Cc1cccc(Br)c1O	131495634	KTZRSXYOOLSPHH-CMPLNLGQSA-N	314.223	3.154	10	20	DGCD	
CC[C@H]1CO[C@@H](C)CN1Cc1cccc(Br)c1O	131495881	KTZRSXYOOLSPHH-JQWIXIFHSA-N	314.223	3.154	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCO[C@]3(CCSC3)C2)cc1C	151397778	HJFMBJUXUZZOBA-DOTOQJQBSA-N	307.459	3.153	10	20	DGCD	
COc1ccc(N(CCOC[C@H]2CCCO2)C(C)C)cc1F	152231294	WTTHGOLGQCAATQ-OAHLLOKOSA-N	311.397	3.245	10	20	DGCD	
CC[C@@H](CSC)NCc1cccc(Br)c1O	162160402	NXGMQAKCDFWVRV-JTQLQIEISA-N	304.253	3.386	10	20	DGCD	
CN1C(=O)/C(=C/c2ccc(OCC(F)F)cc2)SC1=S	174909696	LRPHQPBXYQKGON-POHAHGRESA-N	315.366	3.162	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)c(O)c(F)c1	176970329	VKXIBDGPKGFOET-UHFFFAOYSA-N	320.339	3.009	10	20	DGCD	
C[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccccc1O	183674613	XOBFUYAZOINBES-OAHLLOKOSA-N	311.429	3.317	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2ccc(OC)c(F)c2)c1	185333209	IUUOOKYYNDKIOO-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2ccc(Br)cc2O)on1	185357536	WGVJLAPODZRQKG-VIFPVBQESA-N	311.179	3.302	10	20	DGCD	
CC(C)c1cccc2c1CCN(C(=O)c1cccc(O)c1O)C2	188113359	XRVFVGQPDKTWLY-UHFFFAOYSA-N	311.381	3.420	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1ccccc1F)c1ccc(F)c(F)c1O	191212836	FNOLIBIMLKDDMQ-YMTOWFKASA-N	311.303	3.194	10	20	DGCD	
COC[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C	195698540	MIFVMQRDIYTCGH-ZDUSSCGKSA-N	314.429	3.415	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1O	248558378	AGXZVKZOZAVQQP-YRGRVCCFSA-N	306.406	3.025	10	20	DGCD	
CC[C@@H](NCc1ccccc1O)[C@@H](O)c1c(F)cccc1F	266341613	YLKVZFIGERBHIO-RHSMWYFYSA-N	307.340	3.272	10	20	DGCD	
CCc1ncsc1NC(=O)NCc1ccc(N(C)C)cc1	269549635	PKVMXXCIMJOZIY-UHFFFAOYSA-N	304.419	3.093	10	20	DGCD	
CO[C@@H](C)c1nc(CNCc2cccc(Cl)c2O)cs1	271840954	QXGGDWQUYQWKSV-VIFPVBQESA-N	312.822	3.499	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](F)CC2CCCCC2)c1O	279720523	BQFZQCDQYAELKO-AWEZNQCLSA-N	309.381	3.326	10	20	DGCD	
CN1C(=O)/C(=C/c2cn(C(C)(C)C)nn2)c2cc(Cl)ccc21	282948790	HLXYPXOZVVTDND-MDWZMJQESA-N	316.792	3.204	10	20	DGCD	
CC[C@H](N[C@H](C)c1ccc(Br)cc1O)C(C)(C)O	295100896	VZHKWNUCRUNTDR-RNCFNFMXSA-N	316.239	3.355	10	20	DGCD	
CCN(CC)c1ccc(CN2CC([C@@H]3CCOC3)C2)cc1F	366251478	OZSVKRSIWTWOFY-OAHLLOKOSA-N	306.425	3.140	10	20	DGCD	
CCOc1cccc(CN2CCOC[C@@H]2c2ccccc2)c1O	372403829	HKZIRHIURMQKHV-QGZVFWFLSA-N	313.397	3.364	10	20	DGCD	
CNCCc1ccccc1C(=O)N1CC2(CC2)c2ccccc21	423199266	BDJJQVRIRZKVFE-UHFFFAOYSA-N	306.409	3.141	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)noc2C(C)C)c1	729279786	CEJZGLAEDVTDLS-SNVBAGLBSA-N	318.373	3.312	10	20	DGCD	
O=C(Nc1nnc(-c2ccccc2)s1)c1cc(O)cs1	731867842	YEUDOQNDRQYOBD-UHFFFAOYSA-N	303.368	3.225	10	20	DGCD	
COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(O)cs1	732285156	UFWOSMFAGUBSHQ-ZDUSSCGKSA-N	303.383	3.440	10	20	DGCD	
O=C(OCc1ccn(-c2cccc(F)c2)n1)c1cc(O)cs1	732352982	JKNMVPHZAFCQDK-UHFFFAOYSA-N	318.329	3.136	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccncc1	742372506	OGPULMPJVGXGAE-LJQANCHMSA-N	311.429	3.159	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)Cc2ccncc2)ccc1OC	749296072	NPEMGLYQQLQTQT-HNNXBMFYSA-N	314.429	3.348	10	20	DGCD	
CC(C)Cc1ccc(S(=O)(=O)NCc2ccccc2O)cc1	751149364	UEOULQMBHMVLIY-UHFFFAOYSA-N	319.426	3.069	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(CC(=O)O)CCC2)cc1F	756312002	YWDAWMLUDFGHCT-UHFFFAOYSA-N	322.424	3.407	10	20	DGCD	
C[C@@H]1C[C@@H](NCCCCn2ccnc2)c2c(O)ccc(F)c21	756458247	KQTADRPKFDZNAU-TZMCWYRMSA-N	303.381	3.346	10	20	DGCD	
C[C@@H](NCc1nc2cc(F)ccc2n1C)c1ccc(F)cc1O	756733670	RSGUKANVUXRQPP-SNVBAGLBSA-N	317.339	3.408	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)c1	756762559	PJHJIOGDZBEECP-RHSMWYFYSA-N	316.445	3.285	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2C[C@](C)(OC)C2(C)C)c1O	761206547	KWCNJZHLKWFZFC-BBRMVZONSA-N	313.825	3.347	10	20	DGCD	
COc1cc(O)c(CN2C[C@H](C)Oc3ccccc32)cc1OC	765652727	XXDFOZFLBQTTJV-LBPRGKRZSA-N	315.369	3.197	10	20	DGCD	
C[C@@H]1CCc2ccccc2N1Cc1cc2c(cc1O)OC[C@@H]2O	768462123	JPPFFUAGPOINJF-XIKOKIGWSA-N	311.381	3.159	10	20	DGCD	
CCOC(=O)[C@@H](C)N(Cc1ccc(N(C)CC)cc1)C1CC1	773887128	BIQPZBFZILEYKV-CQSZACIVSA-N	304.434	3.059	10	20	DGCD	
C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	776474971	JZALLIBCZKQDHF-VYDXJSESSA-N	317.429	3.336	10	20	DGCD	
C/C(=C\C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1	778918486	QTJCDQUQGYAZBH-YRNVUSSQSA-N	317.772	3.471	10	20	DGCD	
C[C@H](CC1CCCC1)C(=O)OCC(=O)c1ccc(O)c(O)c1	783672654	IVTWMQOVMOFSST-LLVKDONJSA-N	306.358	3.040	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(SC)cc2)c(O)c1	794388701	ZTHANVIRERGKHG-UHFFFAOYSA-N	303.383	3.053	10	20	DGCD	
CN1C(=O)COc2cc(NCc3cc(Cl)ccc3O)ccc21	798503294	HIDMIUJMAJJBBH-UHFFFAOYSA-N	318.760	3.013	10	20	DGCD	
CCc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1F	804267106	VUODCJYATZHBDF-YWEYNIOJSA-N	301.317	3.451	10	20	DGCD	
CSC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	807837372	NJLXYNFVLKJFQC-UHFFFAOYSA-N	306.214	3.211	10	20	DGCD	
Cc1cc(CN2CCC[C@H]2CN2CCCC2)ccc1N(C)C	815033707	QIRYKIDPQOJKDC-SFHVURJKSA-N	301.478	3.121	10	20	DGCD	
CCCN1C[C@H](CN[C@@H](CC)c2ccc(N(C)C)cc2)CC1=O	817588449	FSNZPQSKPASHFT-YJBOKZPZSA-N	317.477	3.052	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)s1	817939119	ZEZGXRIWUUKZNH-XJKSGUPXSA-N	303.475	3.473	10	20	DGCD	
c1ccc([C@H]2C[C@H](NCc3ccc4c(c3)CCO4)CCO2)nc1	825084724	HLTIXWPERDQZBL-VQIMIIECSA-N	310.397	3.026	10	20	DGCD	
CCc1cc(=NCc2ccc(N3CCSCC3)cc2)cc[nH]1	827411174	KTGMPRDCSWUYHL-UHFFFAOYSA-N	313.470	3.231	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@H]1NCc1cccc(Cl)c1O	827751353	TXMJYQKVVMEWQK-CZUORRHYSA-N	311.809	3.257	10	20	DGCD	
CCOc1ccc(CN(Cc2cnn(C)c2)CC(C)C)c(O)c1	835077182	QJXYXEWEAIJMAG-UHFFFAOYSA-N	317.433	3.183	10	20	DGCD	
C/C(=C/C(=O)N1CCCc2cc(C)cc(F)c21)c1cnccn1	839258351	SWUUOWXMUUCAQB-RAXLEYEMSA-N	311.360	3.307	10	20	DGCD	
Cc1noc([C@@H]2CCCN2Cc2ccc(N(C)C)cc2C)n1	840946570	RUTKZXBXYTUELO-INIZCTEOSA-N	300.406	3.090	10	20	DGCD	
CCCN(CC(=O)O)Cc1ccc(N(C)C)cc1C(F)(F)F	840997778	AHLGOSKHCJASMG-UHFFFAOYSA-N	318.339	3.068	10	20	DGCD	
C[C@H](CCc1ccccc1)NC[C@@H](N)c1ccc(N(C)C)cc1	841044574	DIJWMNZSZNUVFA-OXQOHEQNSA-N	311.473	3.363	10	20	DGCD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCc1ccc(N)cc1	841734794	NNJZFZMRRNSMDT-GOSISDBHSA-N	309.413	3.106	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(CO)cc2)c2c(O)ccc(F)c21	842894846	IRCKGJAZZSZERU-ABAIWWIYSA-N	301.361	3.362	10	20	DGCD	
CC(C)[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1cccnc1	846473662	NTXYUYFHULSHOT-MRXNPFEDSA-N	318.804	3.497	10	20	DGCD	
CCC(CC)(C(=O)CSc1ncc(Cl)s1)C(=O)OC	850000066	ICBFOFAZBQDMFF-UHFFFAOYSA-N	321.851	3.437	10	20	DGCD	
CC[C@@H](C)C[C@H](CO)NCc1c(O)cccc1Br	858182572	ZCQLCTUCPLVORS-GHMZBOCLSA-N	316.239	3.041	10	20	DGCD	
COc1cccc(O)c1CNCC(C)(C)c1ccc(C)cn1	858241489	VSWKHSFFIFDKKY-UHFFFAOYSA-N	300.402	3.172	10	20	DGCD	
CC[C@H](NC(=O)NCc1cc(C)ccc1O)c1c(C)noc1C	858324859	IREILBXYLNLBIT-AWEZNQCLSA-N	317.389	3.256	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	858827080	VFOGPUOEVNCGNV-BSXFFOKHSA-N	318.461	3.161	10	20	DGCD	
C[C@@H]1C[C@H](N2CCCC2)CN1Cc1cc(F)c(N(C)C)cc1F	862365075	LZHQJFNNZNGKFH-HIFRSBDPSA-N	323.431	3.089	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@H](c2nnc3ccccn23)C1	876552926	CZIMNNQTWWKYJR-HNNXBMFYSA-N	322.412	3.123	10	20	DGCD	
Cc1cccc(O)c1CN(C)[C@H](C)CNC(=O)OC(C)(C)C	876728631	QZVPNBYDDUNLSZ-CYBMUJFWSA-N	308.422	3.046	10	20	DGCD	
Cc1cccc(O)c1CNCc1ccc(C(=O)N2CCCC2)cc1	876879249	IFHYDFVEKLBRFZ-UHFFFAOYSA-N	324.424	3.226	10	20	DGCD	
CSC1(CNCc2ccc3c(c2)CCCO3)CCOCC1	921788786	RPMSKEITKKHVNW-UHFFFAOYSA-N	307.459	3.013	10	20	DGCD	
COC[C@H](N[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21)[C@H]1CCCO1	1116853455	HBOPHCGCIYFFIE-HGTKMLMNSA-N	305.418	3.033	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ncc(Cl)s1	1116861456	RYAIEZLRBOEXAJ-UHFFFAOYSA-N	322.817	3.311	10	20	DGCD	
C[C@H](NC(=O)c1c2ccccc2nn1C)c1ccc(N(C)C)cc1	1320404386	ZJZSMYNBWFSQPH-ZDUSSCGKSA-N	322.412	3.130	10	20	DGCD	
C[C@H]1c2c(F)cccc2CCN1C(=O)NCc1ccc(N)cc1	1335736716	GPIYDYFWTBPFSV-LBPRGKRZSA-N	313.376	3.237	10	20	DGCD	
Cc1nnc(O)c(CN[C@@H](C)c2ccc(Cl)cc2O)c1C	1348550279	FGRLAAXQLYJNQN-JTQLQIEISA-N	307.781	3.009	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]1c1ccc(Cl)s1	1521851634	OLVYVGZQIXREMT-NXEZZACHSA-N	323.801	3.233	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1nccc2c1CCCC2	1580340258	PRGMRMUXIPNXQQ-UHFFFAOYSA-N	307.441	3.372	10	20	DGCD	
O=C(O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1	1595222032	OZGAWPORJUODAG-UHFFFAOYSA-N	310.353	3.237	10	20	DGCD	
C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1cc(C(=O)O)ccc1O	1609786404	QHTWNSHRTYOJAW-QWRGUYRKSA-N	315.373	3.431	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc2ccccn2c1	74217420	RAORPCKVICOIBF-UHFFFAOYSA-N	319.408	3.470	10	20	DGCD	
CC[C@H](CCO)N[C@H](CC)c1cc(Br)ccc1O	119237636	XFEPTYVROVVSCI-DGCLKSJQSA-N	316.239	3.356	10	20	DGCD	
CN(Cc1nc(-c2ccccc2)no1)c1ccc2c(c1)OCO2	121314436	AUIFIAJWKAXHFO-UHFFFAOYSA-N	309.325	3.102	10	20	DGCD	
COc1cc(CNCc2ccccc2O)cc(Cl)c1OC	134237016	RTPCUKUVDYHAKE-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@H]1CCO[C@]2(CCSC2)C1	151423125	QCQWZRCUAGRHDU-DZGCQCFKSA-N	313.850	3.190	10	20	DGCD	
C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1cccs1	181124109	WUFUYOHHJLUMAK-HOSRBBHYSA-N	317.410	3.168	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2ccccc2C)c1	182466278	VEPQYZREZHKTIR-FZKQIMNGSA-N	301.386	3.093	10	20	DGCD	
C[C@H](Nc1ccn(CCc2ccncc2)n1)c1ccccc1O	183663499	KKOABXAZAUQWJK-AWEZNQCLSA-N	308.385	3.400	10	20	DGCD	
CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc3ccccc3c2O)C1	185788190	DEWQJRMIIKIHIG-DZGCQCFKSA-N	312.413	3.207	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)cc1C	189435394	DALXIHWYUSTJJL-UHFFFAOYSA-N	321.398	3.072	10	20	DGCD	
COc1cccc(CNCc2ccc(OC(C)C)cc2)c1O	237220963	UUSSMRPPGZFLPJ-UHFFFAOYSA-N	301.386	3.478	10	20	DGCD	
Nc1ccc(CC(=O)NCc2csc(-c3ccccc3)n2)cc1	237909186	PJMWMVPWEHFGPL-UHFFFAOYSA-N	323.421	3.251	10	20	DGCD	
Nc1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1	238033148	YKPINJQERJNFLF-QGZVFWFLSA-N	312.369	3.079	10	20	DGCD	
C[C@H](c1ccccc1)N(CC(=O)N1CCC1)Cc1ccccc1O	271995583	HBAURLQYCVUUJR-MRXNPFEDSA-N	324.424	3.188	10	20	DGCD	
CCc1cnc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)s1	273624091	ZUZYXTSYMZQSAL-VIFPVBQESA-N	307.375	3.170	10	20	DGCD	
O=C1OCC[C@]12CCCN2Cc1cc(-c2ccccc2)ccc1O	275155241	VJZINCXWTMFZQT-HXUWFJFHSA-N	323.392	3.341	10	20	DGCD	
CC(C)[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CS1	277110391	HYXLSVFRKWYMLC-WMZOPIPTSA-N	320.502	3.143	10	20	DGCD	
CCCCCC(=O)NCc1cccc(Br)c1O	277470011	HTIVJJXPBFJRSE-UHFFFAOYSA-N	300.196	3.351	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1C	278308850	DZCURHBOQYNGRC-IUODEOHRSA-N	317.351	3.144	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCN2CCCO[C@@H](C)C2)c(O)c1C	278778199	YECNSVDHBIZTHE-DOTOQJQBSA-N	320.477	3.161	10	20	DGCD	
CC[C@H](N[C@@H](COC)[C@@H]1CCCO1)c1cccc(Cl)c1O	286972011	IMJVGBIAAUGUTI-KKUMJFAQSA-N	313.825	3.280	10	20	DGCD	
OC[C@@]1(Cc2ccccc2)CCCN(Cc2ccccc2O)C1	291331349	UPNRCGLLVVMOMT-HXUWFJFHSA-N	311.425	3.209	10	20	DGCD	
Cc1cccc([C@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)c1	294962902	NOOMUSYSMFYBBT-ZDUSSCGKSA-N	315.344	3.175	10	20	DGCD	
O=C(NCc1ccccc1O)NCc1cc(C2CC2)ccc1F	296569179	DJFIRHVLUPADMO-UHFFFAOYSA-N	314.360	3.408	10	20	DGCD	
CC(C)Oc1cncc(NCc2ccc(N(C)C)c(F)c2)n1	302307271	RPZWQCVBELLDOL-UHFFFAOYSA-N	304.369	3.081	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCCN2)cc1	316305808	ZXRIBOLIJITXGI-GUDVDZBRSA-N	301.478	3.153	10	20	DGCD	
COc1cc(Cl)cc(CN2CCOc3ccccc3C2)c1O	317476795	DCMQAPNEGGUIAN-UHFFFAOYSA-N	319.788	3.449	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@H](N3CCCC3)C[C@H]2C)c1O	368043824	QDXOWTXZNOJXMU-IUODEOHRSA-N	324.852	3.113	10	20	DGCD	
Cc1cc(C)cc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)c1	542326673	NEUCWOYJYFKBBI-UHFFFAOYSA-N	306.369	3.365	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)CSC)cc1	731327212	JOIAJTFNDCNVJK-CQSZACIVSA-N	308.491	3.490	10	20	DGCD	
COc1ccc(N2CCCN(Cc3cccc(C)n3)CC2)cc1	736307907	BFMLLGRDOOAHLI-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1ccccc1[N+](=O)[O-])C1CC1	747614238	ONDKINVTGBQXMW-UHFFFAOYSA-N	318.354	3.167	10	20	DGCD	
CCCCO[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C1(C)C	748958727	GRRSOMQLEYHWJQ-HOTGVXAUSA-N	320.433	3.175	10	20	DGCD	
C[C@H](NC[C@H](CO)Cc1ccccc1)c1cc(F)ccc1O	756460836	UIRHEQNVTUYNLI-DZGCQCFKSA-N	303.377	3.033	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)c1	756656086	SXLRIMVJIVJYFE-HOCLYGCPSA-N	316.445	3.142	10	20	DGCD	
C[C@H](NC[C@@H](O)c1c(F)cccc1F)c1ccc(F)cc1O	756741914	YRMCJZUPSGTUNE-BJOHPYRUSA-N	311.303	3.194	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H](O)Cc1ccccc1)c1cc(F)cc(F)c1O	756757918	DAGZSCJAORNDQK-JKDFXYPNSA-N	321.367	3.313	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1cc(F)cc(F)c1O	756757920	DAGZSCJAORNDQK-NVGCLXPQSA-N	321.367	3.313	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3C[C@@H](OC)C3(C)C)CC2)cc1	766526919	FLGCZBVSIWQFRQ-ZWKOTPCHSA-N	318.461	3.067	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)OC(C)C)cc1	769524609	PSCHACSJHDNYEJ-HNNXBMFYSA-N	306.450	3.305	10	20	DGCD	
CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ncc[nH]1	769668754	CCLDQOOMMYFVCP-OAHLLOKOSA-N	323.400	3.093	10	20	DGCD	
CCc1ncsc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773011207	DONLUDOEOGMRMO-LLVKDONJSA-N	303.431	3.263	10	20	DGCD	
COC(C)(C)C[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773327264	WULWCHVFOSQRSH-UONOGXRCSA-N	321.465	3.316	10	20	DGCD	
Cn1ccnc1[C@H](NCCCSc1nccs1)C1CC1	775635178	UWXDQESWNYIHEK-GFCCVEGCSA-N	308.476	3.100	10	20	DGCD	
Oc1ccc(F)cc1CN1CC[C@@H](COc2ccccc2)C1	780788957	FJOBXHSJHFCDIP-CQSZACIVSA-N	301.361	3.432	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CC2)c(O)c1O	780863564	RUZGRMUQEXCGNL-CYBMUJFWSA-N	303.383	3.349	10	20	DGCD	
CN(CCC1OCCO1)c1ccc(OCc2ccccc2)cc1	781961670	XCSSPMNYMCNGHB-UHFFFAOYSA-N	313.397	3.465	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ncc(OC)s1	787791301	AXJKWYMJWQPOSJ-UHFFFAOYSA-N	321.402	3.301	10	20	DGCD	
Cn1cc2c(n1)CCC[C@@H]2NCCCSc1nccs1	794800278	BUZRXAJXJJXEIR-LBPRGKRZSA-N	308.476	3.026	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccc2nn[nH]c12	801551786	SJOGBYFUACBBBO-UHFFFAOYSA-N	324.384	3.106	10	20	DGCD	
CCCCN(Cc1ccccc1O)CC1(CC(=O)OC)CC1	801595593	OZWTZFMRYPFPQC-UHFFFAOYSA-N	305.418	3.338	10	20	DGCD	
CCc1nnc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)s1	810259062	AJHLZOZAJJUFKQ-WPRPVWTQSA-N	307.394	3.283	10	20	DGCD	
Oc1c(Br)cccc1CNc1ccc(Cl)nn1	811837129	HLYODKWMKPUMAK-UHFFFAOYSA-N	314.570	3.210	10	20	DGCD	
CN1CCC[C@@]2(CCN(Cc3c(O)ccc(Cl)c3F)C2)C1	816642123	PXXJBLILHPWFCE-MRXNPFEDSA-N	312.816	3.102	10	20	DGCD	
Cc1cc([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c(C)o1	817939215	AMMIEAOHFFGXKI-SCLBCKFNSA-N	301.434	3.313	10	20	DGCD	
CCC[C@@H](N1C(=O)CN(Cc2ccccc2O)C1=O)C(C)(C)C	819168775	CPBMZWFRBKTXPE-OAHLLOKOSA-N	318.417	3.371	10	20	DGCD	
O[C@H](CNc1ccccc1OCC(F)F)Cc1ccccc1	819460148	FQINYDVOWGTGSV-AWEZNQCLSA-N	307.340	3.346	10	20	DGCD	
C[C@H](CCO)CCN[C@@H](C)c1cccc(C(F)(F)F)c1O	834829948	AGIJUFUEFBIGSR-QWRGUYRKSA-N	305.340	3.470	10	20	DGCD	
Cc1occc1CN(Cc1ccccc1O)C[C@@H]1CCCO1	840907228	AXAZAINTIAUHEN-KRWDZBQOSA-N	301.386	3.475	10	20	DGCD	
CC[C@@H](Cc1ccccc1)NC[C@H](N)c1ccc(N(C)C)cc1	841046147	WZKXDEPBCVRUFZ-ICSRJNTNSA-N	311.473	3.363	10	20	DGCD	
CCS[C@@H]1CC[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)C1	841960644	URUUAIDQNIJYAM-HZPDHXFCSA-N	321.490	3.127	10	20	DGCD	
FC(F)Oc1ccc2c(c1)CCCN2Cc1cc2n(n1)CCC2	844306143	SURBKHVKWZYKDC-UHFFFAOYSA-N	319.355	3.384	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccnn2CC(C)C)c1	845970597	ACRXFJYKUXYFNC-CYBMUJFWSA-N	303.406	3.104	10	20	DGCD	
CN(C)Cc1ccsc1C(=O)NCc1cc(Cl)ccc1O	846477389	SOEHHKYLLMVPMX-UHFFFAOYSA-N	324.833	3.099	10	20	DGCD	
CCc1cccc(CNCc2cccc([N+](=O)[O-])c2C)c1O	848905722	LXJSFDNWFJKWMK-UHFFFAOYSA-N	300.358	3.461	10	20	DGCD	
Cc1cc(O)c(CN2CCC([C@@H]3CCCNC3)CC2)cc1C	849350313	NNUCFCBFAPXJQN-QGZVFWFLSA-N	302.462	3.221	10	20	DGCD	
CCCCN(Cc1ccccc1O)c1cc(Cl)nc(O)n1	858532963	ORHSDNOSUJEKFB-UHFFFAOYSA-N	307.781	3.348	10	20	DGCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@H]1C[C@@H](O)C1	858543957	QQAGPSZETZRFDS-ZIFCJYIRSA-N	311.425	3.427	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1ccccc1O	868483621	ZIJIXZMTYLGBCH-RISCZKNCSA-N	306.406	3.099	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H](c1ccc(F)cc1)N(C)C	876949506	SDWHLPHLJZCPSW-QGZVFWFLSA-N	302.393	3.232	10	20	DGCD	
Cc1ccc(CNC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1	877731853	XIJIIVUQLLQYHP-CTYIDZIISA-N	320.433	3.094	10	20	DGCD	
Cc1cc(O)c([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1C	877857379	QFPJOWPFFVWUCJ-QGZVFWFLSA-N	316.445	3.408	10	20	DGCD	
Cc1cc(C)c(Cn2cc(COc3ccc(N)cc3)nn2)c(C)c1	881194032	MCOPFXNDMSOEBN-UHFFFAOYSA-N	322.412	3.413	10	20	DGCD	
CC(C)(C)[C@@H](Cn1ccnc1)NCc1cc(F)cc(F)c1O	882910149	LRUFLTROQUFBNG-CQSZACIVSA-N	309.360	3.071	10	20	DGCD	
OCC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	886370936	ASUOMYJXXDVSMX-SECBINFHSA-N	318.122	3.102	10	20	DGCD	
CSCC(C)(C)NC(=O)NCc1ccc(N(C)C)cc1C	893054183	VQXZQEVRSLRUOX-UHFFFAOYSA-N	309.479	3.002	10	20	DGCD	
CN(C)c1cc(F)c(CNCC[C@@H]2CCCC[C@@H]2O)cc1F	897534513	VQSKPSZRAACSEJ-SJCJKPOMSA-N	312.404	3.062	10	20	DGCD	
CN(C)c1ccc(CN(C[C@@]2(C)CCCNC2)C2CC2)cc1	904307721	VIHKIERGRDEDFK-IBGZPJMESA-N	301.478	3.107	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@H](C(F)(F)F)C1	910951644	JZWNERZHMZUYCY-KOLCDFICSA-N	317.307	3.083	10	20	DGCD	
CCO[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	916114589	GUQQSLRRMQKWFK-ZWKOTPCHSA-N	316.445	3.060	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CNc2ccccc21	1263101676	YYIGNIUHLBXDDV-MRXNPFEDSA-N	323.440	3.277	10	20	DGCD	
COc1ccc2c(c1)CCN2Cc1cc(C(=O)O)c(C(C)C)[nH]1	1599629141	QJZGDHQHKWLTBW-UHFFFAOYSA-N	314.385	3.408	10	20	DGCD	
O=C(O)C1(CNCc2c(O)ccc(Cl)c2F)CCCCC1	1610726576	WZMWHUGYCICFPL-UHFFFAOYSA-N	315.772	3.309	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CC(=O)O)CC(C)C)c(C)c1	1776856576	ASNDODFEPLALSA-INIZCTEOSA-N	306.450	3.430	10	20	DGCD	
C[C@H](CNCc1cc(Cl)cc(Cl)c1O)N(C)C1CC1	105488023	KNJSSMAYQQYBKK-SECBINFHSA-N	303.233	3.271	10	20	DGCD	
CC[C@@H](C)OCC(=O)NCc1ccc(N(CC)CC)c(F)c1	129237419	CBJUMGLRTIDJQQ-CYBMUJFWSA-N	310.413	3.103	10	20	DGCD	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1Cc1ccon1	130355670	XAYXXDQNGYZHHB-KPKJPENVSA-N	320.370	3.215	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@H]1CCO[C@@]2(CCSC2)C1	151423253	QCQWZRCUAGRHDU-ZFWWWQNUSA-N	313.850	3.190	10	20	DGCD	
CC[C@@H](C)OCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	152654969	WBLWZZFDXORHMT-MRXNPFEDSA-N	318.461	3.450	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C)cc1F	176576803	MNAYMPJDHFMQNA-ZDUSSCGKSA-N	307.413	3.366	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@H](CN2CCCCC2)C1	180470872	SYASCRZHDNQBHB-CQSZACIVSA-N	308.853	3.353	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@@H](Nc3ccccc3)C2)c1	180489009	FGVQMQDADHOHTF-QGZVFWFLSA-N	312.413	3.477	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@H](C)CCCO)c1O	187294827	YGYWWXQXXZPBTI-MNOVXSKESA-N	316.239	3.275	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@H](C)c2ccc(F)c(F)c2O)c1	187714382	HPKSQDURIGXTTG-BMIGLBTASA-N	323.339	3.063	10	20	DGCD	
CCOC(=O)CCc1csc(-c2ccc(N(C)C)cc2)n1	190120672	UFPDCJIZJMFAPU-UHFFFAOYSA-N	304.415	3.372	10	20	DGCD	
CCc1ccccc1S(=O)(=O)Nc1ccc(O)cc1SC	192155667	PVYSPNDVTLMZKR-UHFFFAOYSA-N	323.439	3.477	10	20	DGCD	
COC(=O)c1cc(CN(C)Cc2ccc(N(C)C)cc2)oc1C	195351855	IBDRIYCAVQKHDI-UHFFFAOYSA-N	316.401	3.073	10	20	DGCD	
CN(C)c1ccc(CN2CCCN(Cc3ccccc3)CC2)cc1	195662018	TVSCQHWNPNGVFO-UHFFFAOYSA-N	323.484	3.461	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@@H](O)c2ccc(C)o2)cc1	268997170	OBDBBVZWHVLOGP-WMLDXEAASA-N	302.418	3.428	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2cccc(F)n2)C2CC2)cc1	271054312	TZPZSEVKAOFULL-UHFFFAOYSA-N	313.376	3.092	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(F)cc1O	285524857	BHIWLCYARCEWNN-INWMFGNUSA-N	322.424	3.219	10	20	DGCD	
Cc1cnn(C)c1CN(Cc1ccc(N(C)C)cc1)C(C)C	289001600	DZGTVFXSPGBCQM-UHFFFAOYSA-N	300.450	3.205	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@](CO)(CCC)C2)c(O)c1	290169220	MQTDASAAZWKVRY-SFHVURJKSA-N	307.434	3.166	10	20	DGCD	
C[C@@H](NCCCCCN1CCCC1)c1cc([N+](=O)[O-])ccc1O	293808381	VMOKPVFFCBZWJM-CQSZACIVSA-N	321.421	3.217	10	20	DGCD	
CCCOc1ccc(CN2CC[C@H](O)CC(C)(C)C2)c(O)c1	295233214	ODJSLMFYPBFAGZ-HNNXBMFYSA-N	307.434	3.164	10	20	DGCD	
CSCC1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1	296160063	NDJCTKWPVKLTKQ-WEVVVXLNSA-N	321.442	3.149	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H]1COC3(CCCCC3)O1)CC2	296979565	RVVGHKSPBQBZEK-GJZGRUSLSA-N	303.402	3.045	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nc(C2CC2)no1	298685265	BGFWJXJIVRJTJH-UHFFFAOYSA-N	314.433	3.424	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC1C[C@@H]2CC[C@H](C1)N2C	322553609	BPUNGLOXQYPGPE-MOTUXRJWSA-N	300.446	3.464	10	20	DGCD	
CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCc2ccccc2O)C1(C)C	397858616	XMMUJHJGPAJLGS-CABCVRRESA-N	320.433	3.174	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(Cl)c1	588403679	UYLXYLUZLNAYGJ-ALCCZGGFSA-N	303.745	3.081	10	20	DGCD	
C[C@@H](C[C@@H](C)O)NCc1cc(Cl)cc(Br)c1O	708097939	ATUDMRWGGNALMD-JGVFFNPUSA-N	322.630	3.057	10	20	DGCD	
CCOC[C@H]1CCN(Cc2ccc(Br)cc2O)C1	708270681	LOFWTUYCJABOGW-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
C[C@H](NC[C@H]1CCN1Cc1ccccc1)c1cc(F)ccc1O	716181096	XSBMPXXFEYFZSO-WMLDXEAASA-N	314.404	3.456	10	20	DGCD	
CO[C@@H](CNCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	733329604	WEHSDGUGMGBBFK-VIFPVBQESA-N	318.122	3.366	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1(O)CCCC1	742245132	BOSKWBZEMZYJLD-UHFFFAOYSA-N	318.461	3.185	10	20	DGCD	
O=C(NCc1ncc(-c2ccccc2)o1)NCc1ccccc1O	748460774	QPGRNBISLIKYCQ-UHFFFAOYSA-N	323.352	3.047	10	20	DGCD	
CCOc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2O)cc1	751529300	AWEANFYSDFEQDD-UHFFFAOYSA-N	315.369	3.077	10	20	DGCD	
CCN(CC)C(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1O	756457992	SOOGGNXGWVCGQA-VIFPVBQESA-N	319.232	3.218	10	20	DGCD	
C[C@H](N[C@H](C)CN1CCC[C@@H](C)C1)c1cc(F)cc(F)c1O	756460799	SYFHVLYZZDDQNB-UPJWGTAASA-N	312.404	3.441	10	20	DGCD	
C[C@@H](N[C@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1O	756713035	SNGYICKWAUVLAZ-RFAUZJTJSA-N	311.303	3.194	10	20	DGCD	
C[C@@H]1C[C@H](NCCc2ccc(CO)cc2)c2c(O)ccc(F)c21	756788879	FVWAVODJYRPWPN-WBMJQRKESA-N	315.388	3.404	10	20	DGCD	
O=C(OCc1cc(-c2ccccc2)no1)c1cccc(O)c1O	758546668	HXXQIJVQMQXWST-UHFFFAOYSA-N	311.293	3.110	10	20	DGCD	
O=S(=O)(/C=C\c1cccc(Cl)c1)NCc1ccccc1O	768845786	GVMWHRGHXPHMAS-HJWRWDBZSA-N	323.801	3.136	10	20	DGCD	
COc1cccc(O)c1CN1CCSC[C@H]1c1nccs1	770673144	GJHHGHOKATYKLQ-LBPRGKRZSA-N	322.455	3.147	10	20	DGCD	
Cc1ccc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C	773739443	CCMKFJJQZNOOSE-AWEZNQCLSA-N	313.397	3.005	10	20	DGCD	
CCN(C)c1ccc(CN2CCC(CCC(=O)OC)CC2)cc1	773765141	GWGVLZWDBNTABZ-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CC[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1	774471182	KUPJGKCYAWMLMP-ROUUACIJSA-N	318.461	3.479	10	20	DGCD	
COC(=O)[C@H](NCc1cccc(Cl)c1O)c1cccs1	789570949	HZXZPGCXQCYZRE-GFCCVEGCSA-N	311.790	3.111	10	20	DGCD	
O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1O	790874344	COXKDKFASWNREZ-ZJUUUORDSA-N	317.307	3.196	10	20	DGCD	
COC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C1CC1	793022544	QLOZBADIFAYOAT-OAHLLOKOSA-N	316.367	3.286	10	20	DGCD	
COc1ccc(CNC(=O)NC2[C@H](C)CCC[C@H]2C)c(O)c1	793076924	WNYHIVLZGJDSTE-VXGBXAGGSA-N	306.406	3.025	10	20	DGCD	
c1ccc(N2CCN(CCCSc3nccs3)CC2)cc1	795213266	AXTVGKKMQQVGOV-UHFFFAOYSA-N	319.499	3.448	10	20	DGCD	
COCCN(Cc1ccccn1)Cc1cc(Cl)cc(F)c1O	809734700	NUDMCFAJDYTOOH-UHFFFAOYSA-N	324.783	3.228	10	20	DGCD	
Cc1cccc2c1OC[C@H](NCc1ccc(N(C)C)c(F)c1)C2	810178914	ZCICPJNPKTWBDP-MRXNPFEDSA-N	314.404	3.293	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C2CCCCC2)cc1)C1CNC1	817897183	GQBLSVRHXYNYIH-OAHLLOKOSA-N	301.478	3.153	10	20	DGCD	
CCNCCN[C@@H](C)c1cc(Br)cc(Cl)c1O	817951578	GTNFUYXCBYRQQL-QMMMGPOBSA-N	321.646	3.068	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)c3cccnc3)C2)cc1	818115858	CZULBNRESWDNJR-CVEARBPZSA-N	311.429	3.267	10	20	DGCD	
COC[C@H](CC(C)C)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	818345244	SKNWILWCOVQIEH-IRXDYDNUSA-N	320.477	3.172	10	20	DGCD	
COc1cc(CN2CC[C@@H](O)C(C)(C)C2)c(O)c(C(C)(C)C)c1	825629025	PLQPFXFPJQYLAX-MRXNPFEDSA-N	321.461	3.291	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CCCCCN)cc1	826020915	YPGWOHMYNZREQZ-UHFFFAOYSA-N	305.466	3.010	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838773880	DPZHPWWNWKUNJA-PVAVHDDUSA-N	301.434	3.083	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC([C@@H](C)N)CC2)cc1F	843052927	OZMYFQHVRAYYML-CQSZACIVSA-N	307.457	3.231	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCc2ccc(C)nc2)c1	845970829	CPOAWJLSIPINRR-AWEZNQCLSA-N	300.402	3.388	10	20	DGCD	
CCc1cccc(CN[C@@H](C)c2ccc3nc(O)[nH]c3c2)c1O	848894092	CFBXYTUMYJKEIV-NSHDSACASA-N	311.385	3.387	10	20	DGCD	
CCc1cccc(CNCCNC(=O)CC2CCCCC2)c1O	848896231	VRQJCVLFDPXTLA-UHFFFAOYSA-N	318.461	3.131	10	20	DGCD	
CCc1cccc(CN[C@@H]2CC[C@H]3SCCS[C@H]23)c1O	848900972	SNXOXRBQJOIIHR-IIAWOOMASA-N	309.500	3.424	10	20	DGCD	
COC[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(OC)c1	850362209	JQMOLQSXTDKMHZ-LJQANCHMSA-N	314.429	3.239	10	20	DGCD	
CCCN(Cc1ccccc1F)C(=O)Cc1ccc(N)cc1	851645260	BATYZNJLUIMFBN-UHFFFAOYSA-N	300.377	3.389	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1C=CCC1	852385426	PQQSQAUBWUQWLN-GDBMZVCRSA-N	301.434	3.010	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2nc(C)cs2)c1	858182503	WEHBJTHZWUTRHY-NSHDSACASA-N	305.403	3.026	10	20	DGCD	
COc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1C	861442065	HKMCAVOMTWVHKN-UHFFFAOYSA-N	313.401	3.391	10	20	DGCD	
CC(C)[C@H]1OCCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1O	868343113	MGXSZSTYAIBCRV-JKIFEVAISA-N	320.433	3.204	10	20	DGCD	
COC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccccc1	868470048	PVAVBFGIDANZDT-CZUORRHYSA-N	314.385	3.140	10	20	DGCD	
C[C@H](NC[C@H]1C[C@H](N)C1)c1ccc(N2CCCCCC2)cc1	873257424	HGFRNBMXBSEUNO-BQFCYCMXSA-N	301.478	3.455	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1	877122017	FJKBABNMMXNUMW-LRTDBIEQSA-N	303.427	3.289	10	20	DGCD	
COC1(C(F)(F)F)CCN(Cc2c(C)cccc2O)CC1	877592335	FVFGYYGCKFNBQB-UHFFFAOYSA-N	303.324	3.244	10	20	DGCD	
CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)cc(OC)c1O	887324062	QCFXZWXYZDIOLT-KRWDZBQOSA-N	312.369	3.296	10	20	DGCD	
CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1	887961176	GFXCNMYWLNWQAL-UHFFFAOYSA-N	313.401	3.108	10	20	DGCD	
CCOc1ccc(O)c(CNCc2nc3c(s2)CCCC3)c1	922700438	MIPGABGWONUIKM-UHFFFAOYSA-N	318.442	3.416	10	20	DGCD	
CCOc1cccc(CNCCc2nc3c(s2)CCC3)c1O	922716541	CGHJIIKKCSCUCM-UHFFFAOYSA-N	318.442	3.068	10	20	DGCD	
CC[C@H](NCC1CC2(C1)OCCO2)c1cccc(Cl)c1O	927002398	VFHDLRQJCGGZLV-AWEZNQCLSA-N	311.809	3.239	10	20	DGCD	
CCC(CC)(CNCc1ccc(N2CCCC2)cc1)C(=O)O	1261435564	YQHVHLQOBIMJFY-UHFFFAOYSA-N	304.434	3.267	10	20	DGCD	
CCC[C@@H](C)C(=O)N1CCN(c2ccc(OCC)cc2)CC1	1319382281	XNODFUAVLHCPIL-OAHLLOKOSA-N	304.434	3.170	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21	1320253025	OFDQYAKVDGEKEG-LSDHHAIUSA-N	318.461	3.487	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1c(O)nnc(C)c1C	1325356450	KVGMQPZERFDJCO-HZMBPMFUSA-N	313.401	3.151	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H]3CCC[C@@H]4C[C@H]34)C2)cc1	1327882524	ZDBCVTHWSVGHJL-QXGSTGNESA-N	300.446	3.300	10	20	DGCD	
CN(C[C@H]1C[C@H]1c1ccccc1)c1ccc(OCC(=O)O)cc1	1598450005	HQDLTQYFXUXELA-QAPCUYQASA-N	311.381	3.390	10	20	DGCD	
Cc1cc(CN(C)[C@@H](C(=O)O)c2ccccc2)ccc1N(C)C	1600188881	OLWYXKIBWLSVJF-GOSISDBHSA-N	312.413	3.319	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H](C(=O)O)C[C@@H](C(C)(C)C)C2)cc1	1777039645	CVJJJBMWRDGHFB-JKSUJKDBSA-N	318.461	3.321	10	20	DGCD	
CN(Cc1nc(-c2cccs2)no1)Cc1ccccc1O	109768831	MWDNQLZYGGOEAH-UHFFFAOYSA-N	301.371	3.136	10	20	DGCD	
CC(=O)c1c(C)oc2ncnc(NCc3ccc(N(C)C)cc3)c12	178851461	KSUQSKYCVUOSME-UHFFFAOYSA-N	324.384	3.412	10	20	DGCD	
CC(C)N(C(=O)COc1ccc(N2CCCC2)cc1)C(C)C	178197153	OPUKNUQWVQGHSD-UHFFFAOYSA-N	304.434	3.311	10	20	DGCD	
O=C(NCc1ccccc1O)c1cccn1Cc1ccccc1	302930546	CCXZJSFIGNREMN-UHFFFAOYSA-N	306.365	3.172	10	20	DGCD	
CC(C)CSCCCNC(=O)/C=C/c1ccc(O)c(O)c1	181263402	IVZSTOTZXCAYKM-FNORWQNLSA-N	309.431	3.007	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C[C@H](O)c2ccco2)c1	185836135	MIEZQPCLGDNONR-MKBNYLNASA-N	305.374	3.157	10	20	DGCD	
CCN(CC)C(=O)C1(NCc2cc(F)ccc2O)CCCCC1	180404803	KQNPFOXRMGDYPG-UHFFFAOYSA-N	322.424	3.192	10	20	DGCD	
CCN(CCC(=O)OC)Cc1ccc(N2CCCCC2)cc1	92379960	HBRBWEHVTXKDTG-UHFFFAOYSA-N	304.434	3.062	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H]3OCCC[C@H]3C2)c1	246205641	BJYYYHBNPXDUSD-SUMWQHHRSA-N	319.445	3.396	10	20	DGCD	
CCOc1cccc(CN[C@@H](CCOC)c2ccco2)c1O	272560048	NFTGKDBMKVUVMK-AWEZNQCLSA-N	305.374	3.251	10	20	DGCD	
CCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1	278897094	QLZQAIAYFVWQMO-UHFFFAOYSA-N	318.329	3.320	10	20	DGCD	
CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc2c(cc1O)OCO2	276277839	YWXMMMPSFKBNCK-ZDUSSCGKSA-N	317.307	3.284	10	20	DGCD	
Cc1ccc([C@H](C)NCCc2cn3c(n2)SCC3)c(O)c1C	274375215	LPVCIXYGBFHTNH-ZDUSSCGKSA-N	317.458	3.205	10	20	DGCD	
C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1	271640819	DSYRLFOIGJJJOC-WMLDXEAASA-N	304.434	3.089	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2CN(C3CC3)C[C@@H]2C)c1O	808701822	JWKLOHAFBAEILM-MKBNYLNASA-N	308.853	3.487	10	20	DGCD	
CC[C@H]1CCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817923751	MVGXCIKIEIAMOX-AWEZNQCLSA-N	315.442	3.331	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@H](C)C3)C2)cc1	819585851	IPMFNZRLGCMWQN-XHSDSOJGSA-N	316.445	3.074	10	20	DGCD	
CCCc1nc(C)c(NC(=O)c2c(F)ccc(O)c2O)s1	828958878	FOBZZFKBIRHAGQ-UHFFFAOYSA-N	310.350	3.207	10	20	DGCD	
Cc1cc(O)c(CN(CCO)C2CCSCC2)cc1Cl	826097193	SZIYQQAZIZJWIA-UHFFFAOYSA-N	315.866	3.044	10	20	DGCD	
COc1cccc(CN2CC[C@H](N(C)c3ccccc3)C2)c1O	827545218	WXWAIWHFIKXIDK-KRWDZBQOSA-N	312.413	3.112	10	20	DGCD	
CC/C=C\CNCc1cc(Br)cc(OC)c1O	824703240	YNANWLXRJPYOAB-PLNGDYQASA-N	300.196	3.219	10	20	DGCD	
C[C@@H](CC(C)(C)O)NCc1ccc(N(C)C)cc1C(F)(F)F	824702933	UGQFECLFQSYLQH-NSHDSACASA-N	318.383	3.411	10	20	DGCD	
CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc(Cl)cc(F)c1O	825040829	UTMAHWZNQFJCIJ-YPMHNXCESA-N	315.772	3.006	10	20	DGCD	
COCC(COC)N[C@H](C)c1ccc(N2CCCCCC2)cc1	834891673	PUCVHBJUZMUOIZ-MRXNPFEDSA-N	320.477	3.379	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1noc(C(C)C)n1)CCC2	839656969	XFXZMOMDMCQNEU-UHFFFAOYSA-N	317.389	3.163	10	20	DGCD	
CC[C@@H]1CC[C@H](C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)O1	839921097	WREYJVXOEPYKIN-ZTFGCOKTSA-N	318.461	3.066	10	20	DGCD	
CN1CCCN(C(=O)/C=C\c2cccnc2)c2ccc(F)cc21	737621608	DCLJTKNJUSFHPG-YVMONPNESA-N	311.360	3.107	10	20	DGCD	
CCCn1c(NC(=O)c2cc(O)cs2)nc2ccccc21	732264830	YFCRAMHUDYDQDR-UHFFFAOYSA-N	301.371	3.466	10	20	DGCD	
COc1ccc(CNC(=O)NCCC(C)(C)C2CC2)c(O)c1	836496503	ZCKZGYZVMCONCH-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
Cc1cc(C)c(C)c(OCCC(=O)NCc2ccc(N)cc2)c1	837302686	CEIRNMAVOZPXKK-UHFFFAOYSA-N	312.413	3.279	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCCC2CC2)cc1F	743597593	DZIMBVBHLWWYNU-UHFFFAOYSA-N	307.413	3.271	10	20	DGCD	
CCc1cccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O	848907024	GLLITNPLFQMZNB-ZFWWWQNUSA-N	317.351	3.090	10	20	DGCD	
O=C(O)c1ccc(CNCc2cc(Cl)cc(Cl)c2O)o1	740132307	KCIZCKRGWBXKLG-UHFFFAOYSA-N	316.140	3.280	10	20	DGCD	
COCCN(C)C(=O)c1cc(C)ccc1-n1c(C)ccc1C	749573403	VFMGBHYZHWUPGZ-UHFFFAOYSA-N	300.402	3.121	10	20	DGCD	
Cc1cc(O)c(CN2CCN(CC3CC3)CC2)cc1C(C)C	917480269	ZPMVPHQWKKGXIX-UHFFFAOYSA-N	302.462	3.352	10	20	DGCD	
COc1cccnc1CNC(=S)Nc1cc(C)cc(C)c1	840826160	REPGMBGSWORQBK-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCN[C@H](C)C1	841005050	DDURHFPVERAAJD-SJLPKXTDSA-N	303.494	3.351	10	20	DGCD	
CC[C@H](C)C[C@H](CO)NCc1cc(Br)ccc1O	842753748	IXLWSRHKYVISIJ-GXFFZTMASA-N	316.239	3.041	10	20	DGCD	
Oc1c(Cl)cccc1CN1C[C@H](O)C[C@@H]1c1ccccc1	840958107	NOCJKOSOCYOZGS-GDBMZVCRSA-N	303.789	3.354	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(F)nc1F	844683948	ZFHOKBHMIHELRE-UHFFFAOYSA-N	320.343	3.056	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)c2ccc(C)o2)c1	743335920	DCGMBSFWGKEMRO-NEPJUHHUSA-N	303.358	3.283	10	20	DGCD	
C[C@@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O	850556383	KVKOPSZELDPPGB-NEPJUHHUSA-N	324.852	3.343	10	20	DGCD	
O=C(NCc1c(F)cccc1OC(F)F)c1cc(O)cs1	752808950	ZNQAXTUJKQBBOG-UHFFFAOYSA-N	317.288	3.124	10	20	DGCD	
COC[C@@H]1CCCN1Cc1c(O)ccc2ccc(OC)cc12	751945625	ALKJDXKTOOCDIX-AWEZNQCLSA-N	301.386	3.165	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@]3(CCN(C)C3)C2)cc1	852106467	YVDAKHGIJJCTCM-LJQANCHMSA-N	301.478	3.060	10	20	DGCD	
COCC[C@H](Cc1ccco1)NCc1cccc(Cl)c1O	753567567	AVZXHWXHOSIJRX-CYBMUJFWSA-N	309.793	3.376	10	20	DGCD	
CCN(Cc1c(O)cccc1OC)C[C@H](O)c1ccc(C)cc1	769481490	BGRSIPXULSFAFA-SFHVURJKSA-N	315.413	3.265	10	20	DGCD	
CC[C@@H](NCCCn1ccnc1C)c1ccc(N(C)C)cc1	765140851	HDVJXBKCTHRBPS-GOSISDBHSA-N	300.450	3.389	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccccc1C	935947368	WGGGUAQJOFCLJF-UHFFFAOYSA-N	318.413	3.435	10	20	DGCD	
Nc1ccc(OCc2cn(C[C@@H]3CCCCC3(F)F)nn2)cc1	864633067	YFUIPRYTEALOBD-LBPRGKRZSA-N	322.359	3.265	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@@H](N2CCCC2)C1	775657890	BLYNVAHANFASGV-CQSZACIVSA-N	312.816	3.245	10	20	DGCD	
C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1	779489724	SRZYVSZFMIJSGP-JOAKQRRISA-N	315.394	3.318	10	20	DGCD	
Cc1ccc(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1	877659878	FUBRWHBHIKWKJN-ZDUSSCGKSA-N	308.422	3.046	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)NC(C)(C)CC)cc1	772237955	SDRYZYHBAGDAPL-OAHLLOKOSA-N	319.493	3.316	10	20	DGCD	
CC(C)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	780360036	NNQOQKYJVBERMV-OAHLLOKOSA-N	321.440	3.469	10	20	DGCD	
CCCC[C@@H](CC)CC(=O)OCC(=O)c1ccc(O)c(O)c1	783713246	ZUEGULRQPIJGQY-GFCCVEGCSA-N	308.374	3.430	10	20	DGCD	
Oc1cccc(Br)c1CN1CC(C(F)(F)F)C1	894891272	XHNGRJDWBFJHOK-UHFFFAOYSA-N	310.113	3.149	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H]2CCCO[C@@H]2C(C)C)c1O	894316744	OLLSJKZNMDWACW-KBXCAEBGSA-N	307.434	3.250	10	20	DGCD	
Cc1ccc(CNc2cccc([C@@]3(C)COC(=O)N3)c2)c(O)c1	895638335	TYFVTEQQVLKSMS-GOSISDBHSA-N	312.369	3.268	10	20	DGCD	
CN(C)c1ccc([C@H](CNc2ccc(F)cn2)N(C)C)cc1	897523878	YVVGLSNXFHMHKG-INIZCTEOSA-N	302.397	3.002	10	20	DGCD	
CCOc1ccc(CN(CCOC)[C@@H]2CC[C@@H](C)C2)c(O)c1	792192989	PGBPNIHGGHHJQR-GDBMZVCRSA-N	307.434	3.428	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(Cl)cc2F)c(O)c1	794383065	JLQOXKGYDSUZCL-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
C[C@H]1COCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1	792827281	BLVJAGUHJAEYQL-GFCCVEGCSA-N	316.367	3.240	10	20	DGCD	
Oc1ccccc1CNCc1cccc(OCC(F)(F)F)n1	1321346240	UFFJPNQXENJELI-UHFFFAOYSA-N	312.291	3.018	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@@H]1CCN1Cc1ccccc1	716239813	UKBWLDPGKQTOIK-KRWDZBQOSA-N	316.832	3.410	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCc1ccc2nonc2c1	1334344005	CQONTIWKBYLVQP-UHFFFAOYSA-N	308.385	3.113	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H](CO)Cc1ccco1	1337785009	INRJORRTRRNCAJ-IJEWVQPXSA-N	315.413	3.283	10	20	DGCD	
COc1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1CO	1334890085	FDZNXRXXYJFWRT-UHFFFAOYSA-N	322.355	3.144	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@](C)(O)C(F)(F)F	1337800182	LHHBXINPABQDNS-BFVZDQMLSA-N	303.324	3.152	10	20	DGCD	
C[C@H](O)[C@@H](C)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	1345639431	SXSAHHDDASCKIL-MCIONIFRSA-N	310.869	3.435	10	20	DGCD	
O=C(O)[C@H]1CCC[C@@H]1NCc1cc(-c2ccccc2)ccc1O	1601808771	OFKFFPMTVMDASK-IRXDYDNUSA-N	311.381	3.402	10	20	DGCD	
CN(C)c1ccc(CN2CCCC[C@@H]2C2(CN)CCC2)cc1	1578425638	KHJIHDCAQUKSLO-GOSISDBHSA-N	301.478	3.236	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@H](C(=O)O)c3ccccc32)cc1C	1594094376	IZMAGBPSZVEUCA-IRXDYDNUSA-N	311.381	3.406	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](C)CCC[C@@H](C)C(=O)O)ccc21	1776884675	HYNWAUSOMIPISV-CABCVRRESA-N	318.461	3.438	10	20	DGCD	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Cc1ccc(N)cc1	159799911	WMLROQMBRVZIOU-CJNGLKHVSA-N	312.388	3.355	10	20	DGCD	
C[C@@H](CCO)N(Cc1ccccc1)C(=O)Nc1ccc(N)cc1	841296219	QXGVECXTOVJEBU-AWEZNQCLSA-N	313.401	3.074	10	20	DGCD	
Cc1ccc(C(=O)CCC(=O)N(C)Cc2ccccc2O)s1	42117863	OPMYXQWVTCMQGO-UHFFFAOYSA-N	317.410	3.384	10	20	DGCD	
COc1ccc([C@@H]2CCN(Cc3cccc(OC)c3O)C2)cc1	92783463	LTBOUXSJMKWPPG-OAHLLOKOSA-N	313.397	3.399	10	20	DGCD	
CCOC(=O)c1nc(CN(C)c2ccc(OC)c(F)c2)cs1	121804834	IEVIEAKXBBJGTB-UHFFFAOYSA-N	324.377	3.104	10	20	DGCD	
Cc1ccc(Cl)cc1NC(=O)NCCc1ccc(O)c(O)c1	128562833	WUXJGUAYZOQVMU-UHFFFAOYSA-N	320.776	3.424	10	20	DGCD	
CCCC1(CNC(=O)NCc2cc(OC)ccc2O)CCC1	132300813	LQEHBPZJKIXXJH-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)ncn2C	134208408	KZQYOAUOYCDXEJ-UHFFFAOYSA-N	323.396	3.331	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@H]([C@@H]3CCCO3)C2)cc1C(C)C	151114714	WDOPFTUDKPAHKX-OALUTQOASA-N	319.445	3.204	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC2CCC3(CC2)OCCO3)cc1	161740016	OYUGBDNEKZVABF-HNNXBMFYSA-N	318.461	3.479	10	20	DGCD	
COCCOCCCN[C@@H](C)c1ccc(N2CCCCC2)cc1	163445891	LVYYFFIQFQUNTF-KRWDZBQOSA-N	320.477	3.381	10	20	DGCD	
C[C@@H](NCCCC(=O)N(C)C)c1ccc(N2CCCCC2)cc1	177988185	KQGCUSVLXXPFFK-MRXNPFEDSA-N	317.477	3.196	10	20	DGCD	
C[C@@H](NCCCN1CCc2ccccc2C1)c1ccccc1O	183398130	HFMABUYUEJNGDS-MRXNPFEDSA-N	310.441	3.491	10	20	DGCD	
C[C@H](NC[C@H]1CCC[C@H](O)C1)c1cc2c(cc1O)CCCC2	185538852	XWFKHFQTLDZSAN-ZQIUZPCESA-N	303.446	3.473	10	20	DGCD	
CCCOc1ccc(CNC[C@H]2CCO[C@@H]2C(C)C)c(O)c1	275380786	YPKNVNKJYFRTSF-CRAIPNDOSA-N	307.434	3.332	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)c2c(F)cncc2F)c1	285698356	OQYODNZJMPWKBY-VHSXEESVSA-N	308.328	3.486	10	20	DGCD	
Cc1cnn([C@H]2CCN(Cc3c(O)ccc4ccccc34)C2)c1	290928687	ORRZCCRNTRDVSL-INIZCTEOSA-N	307.397	3.497	10	20	DGCD	
CN1[C@H]2CC[C@H]1CC(NCc1cc(Cl)cc(Cl)c1O)C2	294932889	GKYOWFFILSFXBB-STQMWFEESA-N	315.244	3.414	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC3(CCC3)CC2)c([N+](=O)[O-])c1	308748496	MATAYURWZTXOMS-HWKANZROSA-N	316.357	3.463	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1	708135322	ZQTNQWDJWSXBRY-MRVPVSSYSA-N	320.614	3.029	10	20	DGCD	
CCN(CC)[C@H](CNCc1c(O)cccc1OC)c1ccco1	725849741	WIWFANSYEVKDCC-OAHLLOKOSA-N	318.417	3.167	10	20	DGCD	
CO[C@@H](C)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	726606630	DLAHMUKOMOWPRT-AWEZNQCLSA-N	321.421	3.100	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cnn3ccccc23)cc1	731975279	CBPVYXWQGSANNQ-UHFFFAOYSA-N	322.412	3.111	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccncc2F)cc1	741176294	OUMLNFUGSWQVPP-UHFFFAOYSA-N	315.392	3.339	10	20	DGCD	
COCc1nc(CN2CCCc3cc(OC)ccc32)cs1	744384016	COTJJWXTEIJXDU-UHFFFAOYSA-N	304.415	3.251	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ncoc2C)cc1	745759623	FAATWFLIDCBOFC-UHFFFAOYSA-N	301.390	3.101	10	20	DGCD	
CS[C@H](C)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	752099414	IBKPAHLKHSIKIA-CYBMUJFWSA-N	323.462	3.426	10	20	DGCD	
CCOc1ccc(CNCc2csc([C@H](C)OC)n2)c(O)c1	752265511	JCOQEGRGGLEUHV-NSHDSACASA-N	322.430	3.245	10	20	DGCD	
Oc1ccccc1CN(CCC1OCCCO1)Cc1ccco1	754653053	ANZZDJPSFRSHIL-UHFFFAOYSA-N	317.385	3.141	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC2(C)CCC2)cc1F	755059990	OYDLHAANDFWHMH-UHFFFAOYSA-N	307.413	3.414	10	20	DGCD	
CC[C@H]1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1	755126571	JJBMHVKDSLJSTC-HNNXBMFYSA-N	303.450	3.474	10	20	DGCD	
Cc1nccn1C[C@H](C)CN[C@@H](C)c1cc(F)cc(F)c1O	756534209	LFNQTEYWQHQTOV-MNOVXSKESA-N	309.360	3.162	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@H](O)Cc2ccccc2)c2c(O)ccc(F)c21	756547681	GFLUYATTWWXVJS-XPKDYRNWSA-N	315.388	3.273	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2n[nH]cc2Br)c(O)c1C	756585060	JQBXAVKBVBCZBK-SNVBAGLBSA-N	324.222	3.345	10	20	DGCD	
C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)cc1O	756833380	ZDULENFMIGTOOO-NSHDSACASA-N	323.389	3.249	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1nccs1)c1ccc(N(C)C)cc1	773621587	CLTAWTVUIMPURR-GFCCVEGCSA-N	318.446	3.112	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1C[C@H](C)Oc2c(F)cccc21	775414861	MJOWPTMNMIOFFE-FWWRYZNZSA-N	312.344	3.356	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cccc(Cl)c1O	779432188	NLCKCGIOSRQTPV-LRDDRELGSA-N	311.809	3.257	10	20	DGCD	
Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C)c(O)c2O)n1	780983360	MYKGTSHUUROSAA-OAHLLOKOSA-N	312.369	3.087	10	20	DGCD	
Cc1ccccc1C[C@H](CO)N[C@H](C)c1cc(F)cc(F)c1O	786583254	QBQUBEUZUOQOMZ-IUODEOHRSA-N	321.367	3.233	10	20	DGCD	
COc1cccc(O)c1CNCCc1ccc(SC)cc1	797879550	LPYRAMFNSPKLQA-UHFFFAOYSA-N	303.427	3.455	10	20	DGCD	
CC[C@H](NCCOCCOC)c1ccc(C(F)(F)F)cc1O	810213187	OBDIKMOQSHJODN-ZDUSSCGKSA-N	321.339	3.115	10	20	DGCD	
COC[C@H](C)[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O	812575538	HLZFWLNVGCQVDX-IUCAKERBSA-N	320.216	3.234	10	20	DGCD	
CO[C@@H]1CCC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	815835735	DAFCHZRLZGYMPM-LSDHHAIUSA-N	317.429	3.092	10	20	DGCD	
CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc2ccccc2c1O	816568530	JDNRCHWPIFPWSQ-QWHCGFSZSA-N	301.386	3.223	10	20	DGCD	
Cc1nc(C)c([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)s1	817938657	OYUOHGYPLIACFH-MEDUHNTESA-N	318.490	3.177	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(CC)nn1C	822756437	FBASSGLBBIHJAL-UHFFFAOYSA-N	315.417	3.131	10	20	DGCD	
COc1cccc(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1	828011495	JEQMXXSJPDQUOF-UHFFFAOYSA-N	324.424	3.226	10	20	DGCD	
COC[C@@H](NCc1ccc(N2CCCCC2)c(C)c1)C1CC1	828721862	HKRMVHSIMMEJEG-GOSISDBHSA-N	302.462	3.500	10	20	DGCD	
C[C@@H](NC(=O)[C@H](C)C1CCC1)c1ccc(N2CCOCC2)cc1	837367903	LFGSPXLYKIYNQB-HUUCEWRRSA-N	316.445	3.137	10	20	DGCD	
CC(C)(CNC(=O)NCCc1ccc(N)cc1)C1=CCCC1	841916135	YSZOINJGPOADSM-UHFFFAOYSA-N	301.434	3.247	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1ccc(-n2cccn2)cc1	843057922	YSTASWXQIICRQK-UHFFFAOYSA-N	318.424	3.284	10	20	DGCD	
CCc1cccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)c1O	848913192	QTWTURDMRXOKES-UYAOXDASSA-N	311.425	3.210	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCCN2CCCC[C@H]12	848927646	JOKFUSKURGAJAO-RBUKOAKNSA-N	301.478	3.168	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1cccc(F)n1)CCC2	852173841	YSDNYZUVOKXDCG-UHFFFAOYSA-N	302.349	3.191	10	20	DGCD	
Cc1cc(CC(=O)NCc2cc(C)n(-c3ccccc3)c2C)on1	863164924	WYOVYMGMGMHOKT-UHFFFAOYSA-N	323.396	3.249	10	20	DGCD	
CC[C@@H](OC)C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863165185	MOJISLXNMQDGSX-QGZVFWFLSA-N	300.402	3.135	10	20	DGCD	
CCN(CCCS(=O)(=O)C(C)(C)C)c1ccc(OC)cc1	878219056	FDCRISUIPMZMLN-UHFFFAOYSA-N	313.463	3.125	10	20	DGCD	
CC[C@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O	886801661	QPAGPQJEZANUCE-CMPLNLGQSA-N	311.731	3.400	10	20	DGCD	
COc1ccc(CNC[C@@H](C)c2cccc(F)c2)c(O)c1OC	892749558	PBOVUEIMDCRBHE-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
COc1ccc(CNc2ccc(SC)nc2)c(O)c1OC	893382617	JTPFCTYAFOSGKN-UHFFFAOYSA-N	306.387	3.138	10	20	DGCD	
COc1ccc(CN(CCO)Cc2cc(Cl)ccc2O)cc1	895710082	FWLVFHHPQIHYIQ-UHFFFAOYSA-N	321.804	3.049	10	20	DGCD	
CC[C@@H](N[C@H](c1nncn1C)C(C)C)c1ccc(F)cc1O	903063016	AXTIGQCOPZPVFJ-HIFRSBDPSA-N	306.385	3.098	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCCO[C@@H]1CCCCO1	922234525	YKALLIJUJSWYDJ-CQSZACIVSA-N	317.788	3.208	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCCC(C)(C)N)c1O	925738073	MXQWZMNQWFZYOD-JTQLQIEISA-N	315.255	3.241	10	20	DGCD	
CCOCCOCCN[C@H](CC)c1cc(Cl)ccc1O	927086636	HKLKNKFJXROGBC-CQSZACIVSA-N	301.814	3.139	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@@H](CN2CCCC2)C1	1319711308	IKMJJXGNLCMBOG-IBGZPJMESA-N	313.489	3.205	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCCNc1ncccn1	1320411710	RQBACTSIELEGHL-UONOGXRCSA-N	312.417	3.131	10	20	DGCD	
C[C@@H](Oc1ccccc1)C(=O)Nc1c(Cl)ccc2nonc12	1321103344	LCTYDBRIKIPMIX-SECBINFHSA-N	317.732	3.282	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc(-c3cnn(C)c3)cc2)cc1	1322401865	IIWBKNSGNXZDNY-UHFFFAOYSA-N	320.440	3.443	10	20	DGCD	
Cc1ncccc1CC(=O)NCc1ccc(N2CCCCC2)cc1	1326805560	INMNMQWDECSIOW-UHFFFAOYSA-N	323.440	3.239	10	20	DGCD	
CC[C@@H]1CC[C@@H](C)N1Cc1ccc(N2CCN(C)CC2)c(F)c1	1347236158	WNBMRQJNGFUVKJ-NVXWUHKLSA-N	319.468	3.340	10	20	DGCD	
CNCCc1ccccc1C(=O)N(C)c1cccc2c1CCCN2	1578716246	QRZUZAQRZCVAGZ-UHFFFAOYSA-N	323.440	3.083	10	20	DGCD	
C[C@@H](Cc1ccc(NCc2cc(F)ccc2O)cc1)C(=O)O	1604228934	PJIWKFQCSZKYNF-NSHDSACASA-N	303.333	3.407	10	20	DGCD	
Cc1cc(O)c(CN2CCN(C)C[C@@H]2c2ccccc2)cc1C	59579606	UMCKNEGCURXBMK-LJQANCHMSA-N	310.441	3.498	10	20	DGCD	
CCc1ccc([C@H]2COCCN2Cc2cc(C)ccc2O)o1	93459460	NFYRDJADDRHGOJ-MRXNPFEDSA-N	301.386	3.430	10	20	DGCD	
CCc1noc(CN(Cc2ccco2)Cc2ccccc2O)n1	109760990	MBAHXZDKFIDORE-UHFFFAOYSA-N	313.357	3.133	10	20	DGCD	
CCc1nnc(CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)n1C	111236682	DMTUCHYSZFHHQW-ZDUSSCGKSA-N	314.433	3.191	10	20	DGCD	
Cc1ccc(CCNC(=O)NCc2ccc(N(C)C)cc2)cc1	116405846	RPROFMCHCWXEKR-UHFFFAOYSA-N	311.429	3.103	10	20	DGCD	
CCCC1(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1	125579346	XPDKMQPRYBNBPL-LBPRGKRZSA-N	306.406	3.341	10	20	DGCD	
C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O	176986352	FFTSEUPHQPVDBH-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2ccc(C(N)=O)cc2)cc1	178181711	DGOGNJPQDXVXOS-AWEZNQCLSA-N	311.429	3.092	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1	179224276	AQFRXHQGVGPAEX-CQSZACIVSA-N	318.804	3.266	10	20	DGCD	
C[C@H](Nc1cnn(Cc2ccccn2)c1)c1ccc(F)cc1O	186390297	JCAACUVAQAVYDJ-LBPRGKRZSA-N	312.348	3.344	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2CCN(Cc3ccccc3)C2)cc1	192920194	IXLSBLCQJOEHIM-FQEVSTJZSA-N	323.484	3.364	10	20	DGCD	
Cc1cccc(C)c1NC1=NC(=O)/C(=C\c2cnn(C)c2)S1	196526855	YPMVJONAKBKHCZ-NTUHNPAUSA-N	312.398	3.119	10	20	DGCD	
COc1ccc(N(CCn2cncn2)Cc2cccs2)cc1	264110014	QEUZBZLEGNRBBL-UHFFFAOYSA-N	314.414	3.055	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCO[C@@H](CC(C)C)C2)c1O	271952679	DUPLMPYMSGRTRC-CVEARBPZSA-N	307.434	3.474	10	20	DGCD	
C[C@H](CO)CCCN[C@@H](C)c1cc(Br)ccc1O	273545443	ZGSZOZNNZUTZMU-QWRGUYRKSA-N	316.239	3.214	10	20	DGCD	
CC[C@H](N[C@@H](C)CN1CCCC1=O)c1cccc(Cl)c1O	287847334	WOVZGFHVUPUFOE-FZMZJTMJSA-N	310.825	3.097	10	20	DGCD	
CNc1c(Cl)ncnc1NCc1ccc(N(C)C)cc1C	302602105	YUAZFPVYNNYROL-UHFFFAOYSA-N	305.813	3.158	10	20	DGCD	
CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1O	317323526	FRZMNKYJLYSNNY-QWHCGFSZSA-N	300.402	3.109	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@@H](C)c1ccc(C)c(C)c1O)C2	363870553	XSUZVUGLSXWQGQ-BBRMVZONSA-N	311.429	3.316	10	20	DGCD	
Cc1ccc([C@H](C)Nc2cccc(N3CCNC3=O)c2)c(O)c1	390313907	OFKVNQYFCUJEKD-ZDUSSCGKSA-N	311.385	3.403	10	20	DGCD	
CN(C)c1ccc(CN(CCC(=O)O)Cc2ccccc2)cc1	692428634	OOMMZHKBIUJJAU-UHFFFAOYSA-N	312.413	3.230	10	20	DGCD	
CCC[C@H](CNCc1cc(Br)ccc1O)OCC	705288703	AMNULFYHXKLKKH-CYBMUJFWSA-N	316.239	3.450	10	20	DGCD	
Brc1cncc(CNCc2ccc3c(c2)CCO3)c1	705804998	UBRCFVUBSWRESN-UHFFFAOYSA-N	319.202	3.069	10	20	DGCD	
Cc1c[nH]ccc1=NC(=O)c1ccc(-n2c(C)ccc2C)cc1	730565875	IGKBXESLYXTMJA-UHFFFAOYSA-N	305.381	3.472	10	20	DGCD	
CN(CC(=O)NCCCC1CCCCC1)Cc1ccccc1O	732203039	METVILTUERYBHG-UHFFFAOYSA-N	318.461	3.301	10	20	DGCD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccccc1O	743328380	SRIFVBUWUBWWOZ-KMFMINBZSA-N	305.418	3.382	10	20	DGCD	
C[C@@H](NCCc1cc(F)cc(F)c1)c1cc([N+](=O)[O-])ccc1O	756510079	GSSFOBPFVGRIHX-SNVBAGLBSA-N	322.311	3.472	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@]2(O)CCc3ccccc32)c(O)c1C	756771520	XPELVJRYZAVPQN-MGPUTAFESA-N	311.425	3.494	10	20	DGCD	
CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)O1	756934151	OOEOVRGOSJGFDL-PBHICJAKSA-N	322.424	3.246	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCCC[C@H]1O	757098953	IMFLNEGHBGCORF-UKRRQHHQSA-N	318.442	3.189	10	20	DGCD	
COc1cc(O)c(CN2CCCc3sccc3C2)cc1OC	768449489	GZVVUCIFDSEFBH-UHFFFAOYSA-N	319.426	3.419	10	20	DGCD	
CCC(CC)n1ccc(COC(=O)c2ccc(C)c(O)c2O)n1	771347800	JUZSOOQQOPQBCU-UHFFFAOYSA-N	318.373	3.321	10	20	DGCD	
COC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCCC1	773010276	NUFYRJJALSFZGJ-CQSZACIVSA-N	304.434	3.279	10	20	DGCD	
COc1ccc2c(c1)CCCN2CN1CC2(CCCC2)OC1=O	778574729	KVOYBUCEXFZEFP-UHFFFAOYSA-N	316.401	3.170	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC[C@@H](C)C1	793023988	IIXYKNCKLWMBBP-HIFRSBDPSA-N	303.450	3.296	10	20	DGCD	
COc1c(N[C@@H](C)c2ccccc2O)cc(Cl)cc1C(N)=O	793577777	WCOLNCXHLMLJRP-VIFPVBQESA-N	320.776	3.326	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)CCNC(=O)OC(C)(C)C)cc1C	793598691	ADALYMHPXLQDGH-CQSZACIVSA-N	322.449	3.402	10	20	DGCD	
CCCCN(Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1O	802657441	DROATWVKTYSCJL-UHFFFAOYSA-N	316.401	3.309	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(CCO)nc2)cc1F	806670220	KCWCBVQVRUZVHN-UHFFFAOYSA-N	317.408	3.214	10	20	DGCD	
CN1CCN(c2ccc(CN3C[C@H]4CCC[C@@H](C4)C3)cc2)CC1	809694339	LJTUOSWWQMSDHS-OALUTQOASA-N	313.489	3.060	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCc1cnn2ccccc12	809701114	UKIQVOCPAMPNFG-UHFFFAOYSA-N	305.740	3.122	10	20	DGCD	
COc1ccc(CNC(=O)CCc2ccc(C)s2)c(O)c1	811484847	NCTHFPWHRIPVBD-UHFFFAOYSA-N	305.399	3.020	10	20	DGCD	
C[C@H](NC[C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1O	817949372	JWVDKHVQLMCGHJ-VHSXEESVSA-N	303.233	3.492	10	20	DGCD	
C[C@H](N[C@@H]1CCCNCC1)c1cc(Cl)c(Cl)cc1O	817968262	IUMXROXXCSAALO-VHSXEESVSA-N	303.233	3.492	10	20	DGCD	
C[C@H](N[C@H](C)CCCCN)c1ccc(Br)cc1O	817976241	IRWSESSRMOUQMG-MNOVXSKESA-N	315.255	3.323	10	20	DGCD	
CCC[C@H](CNCc1cc(C)cc(Br)c1O)OC	824544099	TZZNEGFGUGLOKW-GFCCVEGCSA-N	316.239	3.368	10	20	DGCD	
CN(Cc1cc(F)ccc1O)C1CC(NC(=O)OC(C)(C)C)C1	824733446	TVZPUVCFPAXGIZ-UHFFFAOYSA-N	324.396	3.019	10	20	DGCD	
COc1cc(CN[C@H](C)c2nc(C)no2)c(O)c(C(C)(C)C)c1	825680031	BBCIRZVNRVJXBK-SNVBAGLBSA-N	319.405	3.241	10	20	DGCD	
Cc1cccc(CO[C@H](C)C(=O)N[C@H](C)c2ccccc2O)c1	827955758	DRDDISKNWIRBGU-HUUCEWRRSA-N	313.397	3.483	10	20	DGCD	
C[C@H](Cc1cnn(C)c1)N[C@H](C)c1cc2c(cc1O)CCCC2	834896298	JXXOACPWINZWKK-ZIAGYGMSSA-N	313.445	3.286	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@@]2(C)C(C)C)c1	838766088	STCYJQAWGIEFES-KCTSRDHCSA-N	306.406	3.196	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1ccc(CO)cc1)CCC2	839656432	KUQIAAHLGZECKC-UHFFFAOYSA-N	313.397	3.149	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1(C)CC1	840316756	SHOCMAKLWAFSMG-CQSZACIVSA-N	303.450	3.091	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCC[C@H](N)C2)c(C(F)(F)F)c1	841057304	IYDSSUUDBAEDGS-STQMWFEESA-N	315.383	3.131	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@H]([C@H]2CCNC2)C1	843125281	QRYGGMYOOSYJNT-RYUDHWBXSA-N	312.816	3.006	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)Nc1nnc(C2CC2)s1	844487791	YRPLCABPBNMCLA-UHFFFAOYSA-N	324.793	3.096	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC2(CCC2)C1	845724101	RFYHXEMAWLTYGR-UHFFFAOYSA-N	301.434	3.227	10	20	DGCD	
CCC(CC)(CO)NCc1cc(OC)cc(C(C)(C)C)c1O	850140123	VNYOGIRVFBTEFN-UHFFFAOYSA-N	309.450	3.339	10	20	DGCD	
CCSC1(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	850394288	OTKRYARDPOALOD-UHFFFAOYSA-N	316.810	3.329	10	20	DGCD	
COc1cc(NCc2cccc(OC)c2O)c([N+](=O)[O-])cc1C	853258964	KHLWZCARCZAPFV-UHFFFAOYSA-N	318.329	3.238	10	20	DGCD	
CNC[C@H](C)N[C@@H](C)c1cc(Br)cc(Cl)c1O	854232450	QDEZLMZXQQHKJK-YUMQZZPRSA-N	321.646	3.067	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1occc1C	854948258	MTTMMUGIGUGPCC-OAHLLOKOSA-N	314.429	3.252	10	20	DGCD	
Cc1ccc(O)c(CNCc2cc(C)c(Br)cn2)c1	858239682	RVOIRROBQMJETD-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2SCCc3sccc32)c1	862759373	CPJKPNOBVCVVFA-OAHLLOKOSA-N	319.451	3.409	10	20	DGCD	
CCOC1(CNC(=O)N[C@H](C)c2ccccc2O)CCCC1	868650371	GXHBBTZXZLORCM-CYBMUJFWSA-N	306.406	3.102	10	20	DGCD	
CCCCCNC(=O)C1CCN(Cc2ccc(C)cc2O)CC1	876578235	GCDQUXUBPTUCNO-UHFFFAOYSA-N	318.461	3.219	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC(C(F)F)CC3)cc2)CC1	876743373	DVFQOUFQABRXME-UHFFFAOYSA-N	324.415	3.125	10	20	DGCD	
Cc1cccc(O)c1CN1CC2(CCC2)[C@@H]1C1CCOCC1	877600122	KDQYEEYYXIGHLW-SFHVURJKSA-N	301.430	3.482	10	20	DGCD	
CC(C)(O)c1ccc(CNCc2cc(F)cc(F)c2O)cc1	883091118	DOXSMLQJGWJFNS-UHFFFAOYSA-N	307.340	3.188	10	20	DGCD	
COc1ccc(CN[C@H]2CCCO[C@@H]2CC(C)C)c(O)c1OC	893684934	IEVXLIBNQFRTAQ-GOEBONIOSA-N	323.433	3.093	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1	894092807	BYQSZQFJSDSPRI-YVEFUNNKSA-N	322.399	3.119	10	20	DGCD	
Cc1ccccc1C1=NO[C@H](C(=O)N[C@H](C)c2ccccc2O)C1	913763968	XJDUQKQHVPHYHK-ACJLOTCBSA-N	324.380	3.071	10	20	DGCD	
CC1(C)[C@H](NCc2ccc3c(c2)CCCO3)[C@@H]2CCCO[C@H]21	921782117	QWTFLWDUCYFGMJ-CGTJXYLNSA-N	301.430	3.305	10	20	DGCD	
CC[C@@H](C[C@H](C)CO)NCc1c(O)cccc1Br	1329139434	DYIKRMDAYWPEFZ-QWRGUYRKSA-N	316.239	3.041	10	20	DGCD	
CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N)cc1	1353492865	ONPHGNQJDDUFPI-HUUCEWRRSA-N	307.463	3.132	10	20	DGCD	
CC[C@@H](NCc1ccc(C)cc1)c1cccc(-c2nn[nH]n2)c1O	1590465135	GFARKBKYMJNYQD-MRXNPFEDSA-N	323.400	3.122	10	20	DGCD	
C[C@@H](NCC(C)(C)C(C)(F)F)c1cc(C(=O)O)ccc1O	1593241197	XHRHFKRBJNSCFO-SECBINFHSA-N	301.333	3.422	10	20	DGCD	
Cc1cc(CN2CC[C@H](C(=O)O)[C@H]2C)c(O)c(C(C)(C)C)c1	1610461088	IUKCHHQWSVDSJU-OCCSQVGLSA-N	305.418	3.293	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](C)CCCCC(=O)O)ccc21	1776884635	BHHDGKDDYMRDFV-AWEZNQCLSA-N	304.434	3.192	10	20	DGCD	
C[C@@H](Sc1nccs1)C(=O)N[C@@H]1CCOc2ccccc21	52914370	PXWNBJAOZXASSZ-ZYHUDNBSSA-N	320.439	3.264	10	20	DGCD	
CS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1	117400739	BDSGCWVYKCFANM-GDBMZVCRSA-N	321.490	3.226	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccccc1)N(C)C)c1cc(F)ccc1O	176980947	GQEFORNBWIUFFB-DYVFJYSZSA-N	302.393	3.485	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CC[C@@H](C)C[C@H]2C)c1O	74209164	PQQAQMGJMLASFU-BZPMIXESSA-N	306.406	3.025	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccn(C)c2=O)cc1	74020567	DDPOQRXDKHSGRO-UHFFFAOYSA-N	321.380	3.045	10	20	DGCD	
CC(C)(C)Oc1ccc(CNCc2ccc3c(c2)CCO3)cn1	180885244	DAKZVJLXQURLFG-UHFFFAOYSA-N	312.413	3.484	10	20	DGCD	
CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc2ccccc2c1O	317323519	FRZMNKYJLYSNNY-CHWSQXEVSA-N	300.402	3.109	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](N3CCCC3)CC2)cc1	93563587	OVXSOFGSFCSXOO-LJQANCHMSA-N	301.478	3.203	10	20	DGCD	
CC[C@@H](NC[C@@H](C)CCO)c1cc(Br)ccc1O	97439469	OOKWEVKXIKGQBE-GXFFZTMASA-N	316.239	3.214	10	20	DGCD	
COCCC1(C(=O)NCc2c(C)c3ccccc3n2C)CCC1	348707972	VHYMPOWBZMLDPT-UHFFFAOYSA-N	314.429	3.310	10	20	DGCD	
CCOc1ncccc1C(=O)NCc1c(C)c2ccccc2n1C	348701195	PFYWTECXVOCEFP-UHFFFAOYSA-N	323.396	3.210	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@](O)(C(F)(F)F)CC1	367701479	LBGHDDBRBPSHSX-CYBMUJFWSA-N	323.742	3.325	10	20	DGCD	
CC[C@@H](NCC(=O)N(C)CC)c1cc(Cl)cc(Cl)c1O	287685905	MXAAQIWFNMHYIG-GFCCVEGCSA-N	319.232	3.218	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)CC2	296883270	OFXLXUWDLKAWPN-ZBFHGGJFSA-N	321.779	3.495	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCCCOC	801983127	FSIRANJOJXHDOA-UHFFFAOYSA-N	308.422	3.131	10	20	DGCD	
C[C@@H](C[C@@H](O)c1ccco1)NCc1cc(Cl)c(F)cc1O	816559223	BVZBXCNOHOXTTC-LKFCYVNXSA-N	313.756	3.380	10	20	DGCD	
C[C@@H](N[C@@H]1CCCNCC1)c1ccc(Cl)c(Cl)c1O	817968518	KUVAJGRSBWXERF-NXEZZACHSA-N	303.233	3.492	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@]1(C)CO	827700876	YPRWVDPRDQMREG-APWZRJJASA-N	302.462	3.127	10	20	DGCD	
CC(C)[C@@H](N[C@H](C)c1ccc(Cl)cc1O)c1nncn1C	903064509	MZOLXSZXTZRGEO-QMTHXVAHSA-N	308.813	3.222	10	20	DGCD	
COc1ccc(O)c(CNC(=S)Nc2ccc(F)cc2F)c1	733906663	ORPUMOUVZYTAED-UHFFFAOYSA-N	324.352	3.166	10	20	DGCD	
CC[C@H](N[C@@H](C)CC(=O)NC)c1cc(Cl)cc(Cl)c1O	834901567	WASNRZSGGUGERC-UFBFGSQYSA-N	319.232	3.264	10	20	DGCD	
CC[C@@H](OC1CCCC1)C(=O)N[C@@H](C)c1cc(OC)ccc1O	733362202	IGKOKPWLHZZDKR-YVEFUNNKSA-N	321.417	3.316	10	20	DGCD	
O=C(O)C[C@@H](NCc1c(O)ccc(Cl)c1F)C1CCCC1	904041562	SNOLGWVEJAZFPL-GFCCVEGCSA-N	315.772	3.308	10	20	DGCD	
C[C@]1(CCNC(=O)NCc2ccccc2O)CC1(Cl)Cl	836620647	PZIQVUKCGDIADS-ZDUSSCGKSA-N	317.216	3.165	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc(Br)cc(C)c1O)[C@@H](C)O	834888256	NZTVRUZGHUKVJU-CWSCBRNRSA-N	316.239	3.273	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cncc3ccccc23)cc1F	746805251	MBCLTHXPTHAIOM-UHFFFAOYSA-N	323.371	3.370	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@@H](OC)[C@H](C)C3)c2c1	840127668	TXNRUTFDYMFGIM-BFUOFWGJSA-N	315.413	3.411	10	20	DGCD	
CC[C@H]1C[C@H](C)CN1C(=O)NCCCSc1nccs1	759602498	VYNAKAULFNUVFB-RYUDHWBXSA-N	313.492	3.455	10	20	DGCD	
OC[C@H](NCc1ccccc1O)c1ccc(C(F)(F)F)cc1	758630751	JBBMLEAWIWRWMQ-AWEZNQCLSA-N	311.303	3.234	10	20	DGCD	
OCCN(Cc1ccc(N2CCCCC2)cc1)C1CCCC1	768139157	WSQLLLSGYPRFPM-UHFFFAOYSA-N	302.462	3.414	10	20	DGCD	
CC1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)CC(C)(C)C1	767516298	QOSUJJARVDSRSK-OAHLLOKOSA-N	305.418	3.076	10	20	DGCD	
C[C@@H](NCC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccccc1O	879648512	RRZVNLWXYBDNPS-IIAWOOMASA-N	304.434	3.080	10	20	DGCD	
Cc1cccc(O)c1CNC1CCN(CC2CCCC2)CC1	876990354	ZNCHTWBSQHVQCC-UHFFFAOYSA-N	302.462	3.445	10	20	DGCD	
CN(C)c1ccc(/C=C2\SC(=O)NC2=O)c(C(F)(F)F)c1	874927606	FKEFBFAQUIYTRH-YHYXMXQVSA-N	316.304	3.095	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2cnc(C)s2)c1O	879251156	GAYWTGCOFZHLMH-QMMMGPOBSA-N	308.378	3.350	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)c(C)c1	779483359	YIBCKLDCOVKGTR-UHFFFAOYSA-N	312.413	3.429	10	20	DGCD	
Cc1ccc(CN[C@@H](C)CCNC(=O)OC(C)(C)C)c(O)c1	877505867	JFEVUZFGWMRTIJ-ZDUSSCGKSA-N	308.422	3.094	10	20	DGCD	
CC(C)CN(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1	775653688	MSLYUVPASZYZKL-UHFFFAOYSA-N	301.478	3.059	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)c1cccnc1	778228112	NKTHEVLYKLDGDY-UHFFFAOYSA-N	311.429	3.084	10	20	DGCD	
CCCOc1ccc(CNCC2(COC)CCOCC2)cc1C	873127676	SSFACYBKHYFZAS-UHFFFAOYSA-N	321.461	3.317	10	20	DGCD	
COc1cccc2c1CC[C@H]2NCc1cc(F)cc(F)c1O	883042343	TZBNKZJFCWRRJU-OAHLLOKOSA-N	305.324	3.456	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1CCCOc2ccccc21	776893951	ZNUUOTMGFVAZRP-FPLPWBNLSA-N	300.383	3.280	10	20	DGCD	
CCC[C@@]1(C(=O)OCC)CCCN1Cc1cc(OC)ccc1O	775183256	IZSPHUFGSPGRBT-SFHVURJKSA-N	321.417	3.099	10	20	DGCD	
CC[C@H](NCc1cccn(CC)c1=O)c1cc(Cl)ccc1O	788603255	ACIUWQMLGDBIBD-HNNXBMFYSA-N	320.820	3.468	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(S(C)(=O)=O)cc1	784156081	ZSPGGUUNCOWACM-UHFFFAOYSA-N	318.442	3.077	10	20	DGCD	
COc1cccc(O)c1CN(Cc1ccccn1)CC(C)C	896665234	PYCDKLQNICTEIQ-UHFFFAOYSA-N	300.402	3.454	10	20	DGCD	
COCCC1(NCc2cccc(Br)c2O)CCC1	793330391	XUJYGPILKHJURA-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	793797614	WERCBCWQHICXGB-BPLDGKMQSA-N	305.418	3.361	10	20	DGCD	
C[C@@H](CNCc1c(O)ccc(Cl)c1F)N1CCCCC1	790954786	YJHMZUCCBSUWAR-NSHDSACASA-N	300.805	3.149	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](CO)CC2CCCC2)cc1F	798503262	FFLDEAFZFZZZKS-INIZCTEOSA-N	308.441	3.170	10	20	DGCD	
COC[C@@H]1CCCCN1Cc1ccc(Br)cc1O	691681790	XUGFCIARYJPMRR-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C)[C@H](O)C(F)(F)F	1335523349	VPJWBUUIGDQMFX-YCWTYVPXSA-N	303.324	3.150	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1	1346526821	QJZDJWFPGMELTP-QZTJIDSGSA-N	309.413	3.404	10	20	DGCD	
O=C(O)c1cnc(SCc2cccc3c2CCOC3)s1	1602536944	IDLDRIPJJYJZKB-UHFFFAOYSA-N	307.396	3.206	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@]3(C(=O)O)CCCC[C@H]23)cc1	1776856051	AFNMKCAKPYVDLS-PKOBYXMFSA-N	316.445	3.362	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCOCC23CCC3)cc1	152333757	VIIZCNVWPLHLIS-UHFFFAOYSA-N	324.424	3.489	10	20	DGCD	
COC[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)C1CC1	157524629	GXAOYNXQXJPDDM-LJQANCHMSA-N	302.462	3.438	10	20	DGCD	
CN(Cc1ccco1)C(=O)NCCCSc1nccs1	154656666	CKMIJJMEZZAKPD-UHFFFAOYSA-N	311.432	3.060	10	20	DGCD	
CN(C)CCCC1CCN(Cc2ccc(N(C)C)cc2)CC1	93688290	ZHDJKXWGVKMPBR-UHFFFAOYSA-N	303.494	3.306	10	20	DGCD	
C[C@@H]1CCN(C(=O)/C=C\c2cnn(C)c2)c2ccccc2S1	96794754	BMGZSTHTGOZGAB-MEJMFZKBSA-N	313.426	3.351	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc(SC)c2)c1	103529400	PTZNSQDLGKBNPT-SNVBAGLBSA-N	318.398	3.009	10	20	DGCD	
C[C@H](NC(=O)CC(C)(C)C)c1ccc(N2CCOCC2)cc1	145464826	ASPBUFQXNNOYTO-AWEZNQCLSA-N	304.434	3.137	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2CCOc3cccc(F)c32)s1	157453044	YWCJBYJWZVOBSU-AATRIKPKSA-N	304.346	3.029	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(C2CC2)CC1	157879514	BMOIELDNZKUVTQ-UHFFFAOYSA-N	311.429	3.052	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(CO)o2)cc1F	174372545	RGMHDLRNOCUOCB-UHFFFAOYSA-N	306.381	3.047	10	20	DGCD	
CCN(CCOC(C)C)Cc1cc(Br)ccc1O	174426596	ISINFINOBSGOKG-UHFFFAOYSA-N	316.239	3.402	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2cccc(N(C)C)c2)c1	180639364	KGLWTCKJKFDBNV-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
COc1cccc(CN[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1O	185677565	IWDBPAWAICCXCR-KSSFIOAISA-N	314.429	3.182	10	20	DGCD	
C[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(F)cc1O	186230444	PPHNPOOGVAFVOZ-TZMCWYRMSA-N	309.381	3.258	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)N(C)CCO3)c1	186458389	LTGDDRKCUAZTFT-LBPRGKRZSA-N	314.385	3.403	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1C=CCCC1	188342449	JCLQHXWDZZCDOX-CQSZACIVSA-N	300.402	3.224	10	20	DGCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C(C)(C)C1	266979169	RWEAPKKBXFKFPO-OAHLLOKOSA-N	313.445	3.393	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](c2ccsc2)N(C)C)c1	273297295	AKABCRSSKRIWLK-BLLLJJGKSA-N	320.458	3.416	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cccc(OC)c2)c1	273441351	YPHYATCKQOEUMV-GFCCVEGCSA-N	315.369	3.038	10	20	DGCD	
CCCOc1ccc(CNc2ccc(C(N)=O)c(C)c2)c(O)c1	280611290	DOGBDMDIMYKTNE-UHFFFAOYSA-N	314.385	3.200	10	20	DGCD	
CC[C@@H](NCC(=O)NC(C)C)c1cc(Cl)cc(Cl)c1O	287700167	NOSBDRWKQSRQGJ-GFCCVEGCSA-N	319.232	3.264	10	20	DGCD	
CN(C)C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1	290192252	TUTOIPMMPHJTLV-SFHVURJKSA-N	314.404	3.153	10	20	DGCD	
Oc1cc2c(cc1CN[C@H]1C[C@H](c3ccc(F)cc3)C1)OCO2	292822310	XCMFXUUBSBIULF-NNUKFRKNSA-N	315.344	3.296	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1	293537350	CKMQGQBHOQNYJT-GOSISDBHSA-N	300.446	3.144	10	20	DGCD	
Cc1ccc(C(=O)N2CCC=C(c3ccccc3)C2)c(O)c1O	375957398	LABCUTZBYTYBEY-UHFFFAOYSA-N	309.365	3.336	10	20	DGCD	
CCOc1nccnc1N1CC=C(c2c[nH]c3ncccc23)CC1	540970822	RXPCAQMSRPFVIY-UHFFFAOYSA-N	321.384	3.045	10	20	DGCD	
Oc1cccc(Br)c1CNC[C@H]1CCCSC1	706821282	ATMMVIRVLZBDNV-SNVBAGLBSA-N	316.264	3.388	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC[C@@H]1Cc1ccc(F)cc1	732275926	RYHZETLPEHVLKD-CYBMUJFWSA-N	305.374	3.440	10	20	DGCD	
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1SC	746361838	LPSVPKQVCDTZJU-YRNVUSSQSA-N	311.453	3.248	10	20	DGCD	
COC(=O)COc1ccc(N(C)[C@H](C)Cc2ccsc2)cc1	753592614	ZHKYURYXBSUVIO-CYBMUJFWSA-N	319.426	3.367	10	20	DGCD	
C[C@@H]1C[C@H](NCCN(C)CC(F)(F)F)c2c(O)ccc(F)c21	756568402	DSNPPJMIGDZZQD-KOLCDFICSA-N	320.330	3.163	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2C[C@@H](C)N(C3CC3)C2)c2c(O)ccc(F)c21	756640102	IRUPUQUBAOJXII-FJJYHAOUSA-N	304.409	3.294	10	20	DGCD	
CCO[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C	760319342	JCZPJUYGDPNHMA-QGZVFWFLSA-N	306.450	3.162	10	20	DGCD	
COc1cc(CN(C)[C@H]2C[C@](C)(OC)C2(C)C)c(O)cc1C	768464896	BYYIQSBONMXTDO-WMZOPIPTSA-N	307.434	3.345	10	20	DGCD	
CCCN(Cc1cccc(Br)c1O)CC(C)(C)O	769327382	YJASCLCABDTMKF-UHFFFAOYSA-N	316.239	3.138	10	20	DGCD	
CCO[C@H](CNCc1c(O)cccc1OC)c1ccccc1	775029214	XXGLQVBRJLKIBK-GOSISDBHSA-N	301.386	3.268	10	20	DGCD	
CC[C@H](N[C@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O	775524247	RAJWRXFUEKMTRR-ONGXEEELSA-N	311.731	3.400	10	20	DGCD	
C[C@H](NCCCn1cncn1)c1ccc(N2CCCCC2)cc1	776972819	BLVAEPKYHLFYFQ-INIZCTEOSA-N	313.449	3.009	10	20	DGCD	
Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)s1	779501214	VANIYKSBIUTLOF-BWNDKRECSA-N	303.383	3.358	10	20	DGCD	
Cc1ccc(CCCN2CCOc3cc(N(C)C)ccc32)cn1	787773773	FBJAMRDRIFNMOT-UHFFFAOYSA-N	311.429	3.288	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(Cl)nc2C)c(O)c1	797651337	DMZCYNVGXAIPIN-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
CCCCN(Cc1ccccc1O)C[C@H]1CC2(CC2)C(=O)O1	801595193	IXYMDULUAXZSLA-OAHLLOKOSA-N	303.402	3.090	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CSC[C@H]1C	807477752	XLCVZJNLUPGWBT-TZMCWYRMSA-N	308.447	3.065	10	20	DGCD	
COCc1nc(CNCc2c(O)ccc(Cl)c2F)cs1	810169975	CUMUJJNCCUYIBY-UHFFFAOYSA-N	316.785	3.077	10	20	DGCD	
CC[C@@H](NC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1O	810213168	NQUUNVPOIGNUQB-ZWNOBZJWSA-N	303.324	3.488	10	20	DGCD	
Cc1ccoc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	813720529	VBTSQGWQGICOEL-ZDUSSCGKSA-N	301.390	3.214	10	20	DGCD	
CN(C[C@@H](O)c1cc2ccccc2o1)c1ccc2c(c1)OCO2	815075972	RALKZJYXPCIJGV-CQSZACIVSA-N	311.337	3.331	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC2CCN(CC(F)F)CC2)c(O)c1	815571528	GGYGGMULZPYWHX-CYBMUJFWSA-N	312.404	3.389	10	20	DGCD	
CC(C)[C@@]1(CO)CCCN(Cc2c(O)ccc(Cl)c2F)C1	816662142	IPUKEEJFGJTERJ-INIZCTEOSA-N	315.816	3.415	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CCNCC[C@@H]3C)cc2)CC1	817902383	PAXUKAJZPJKRNC-PXNSSMCTSA-N	315.505	3.401	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCNC1)c1cccc(C(F)(F)F)c1O	817945720	KHTDIWDQOOKLFM-GHMZBOCLSA-N	302.340	3.061	10	20	DGCD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	821842654	MKLGWAONTUZUHB-IAGOWNOFSA-N	316.445	3.107	10	20	DGCD	
O=C(OC1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	830599199	JGWSRUPEFDUJMQ-OAHLLOKOSA-N	305.374	3.062	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1ccc(Cn3cccn3)cc1)CC2	834496380	GARHJDIBBQKDOT-GOSISDBHSA-N	319.408	3.414	10	20	DGCD	
CCOCc1cc(CNC[C@@H]2C[C@@H](C)O[C@@H]2C)ccc1OC	840962482	DKKBTNRMXMUINI-FMKPAKJESA-N	307.434	3.135	10	20	DGCD	
C[C@H](Cc1ccccc1F)NC[C@@H](N)c1ccc(N(C)C)cc1	841044065	USOXDEZPXIABLY-AUUYWEPGSA-N	315.436	3.112	10	20	DGCD	
COc1cc(F)cc(/C=C2\SC(=S)N(C3CC3)C2=O)c1	841495400	HHHPQNUSVSLGSK-SDQBBNPISA-N	309.387	3.198	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ccc(Cl)nc2)cc1	844400283	ZGRNCLPBRCEBBD-UHFFFAOYSA-N	319.836	3.312	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ncc(C)s2)cc1	844402106	UWVLOOAZPUBRIP-UHFFFAOYSA-N	305.447	3.028	10	20	DGCD	
CCc1cccc(CN2Cc3ccc(C(=O)OC)cc3C2)c1O	848883617	ANZYWGATYUMZTI-UHFFFAOYSA-N	311.381	3.257	10	20	DGCD	
COc1cc(CNC[C@@H](CO)CC2CC2)c(O)c(C(C)(C)C)c1	850389033	RWVDTIHJSCJIPX-AWEZNQCLSA-N	321.461	3.197	10	20	DGCD	
Cc1ccc(O)c(CNCc2ccc(O[C@@H]3CCOC3)cc2)c1	858239076	HOLHCPBOMFHRBP-GOSISDBHSA-N	313.397	3.158	10	20	DGCD	
CS[C@@H](CNC(=O)NCc1cc(C)ccc1O)C(C)(C)C	858357696	JSCPHTDASBMCNU-AWEZNQCLSA-N	310.463	3.278	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1COCc2ccccc21)c1ccccc1O	875675818	YCVNLMSRGVIDSK-MLGOLLRUSA-N	312.369	3.024	10	20	DGCD	
COc1cccc([C@@H](CNCc2c(C)cccc2O)OC)c1	877647170	BDBIWEZEWQHIKT-GOSISDBHSA-N	301.386	3.187	10	20	DGCD	
Cc1cccc2c1N[C@@H](c1cc(F)c(N(C)C)cc1F)NC2=O	877845716	KUGMGAWXLCVRQS-MRXNPFEDSA-N	317.339	3.193	10	20	DGCD	
CC[C@@H]1CCCCN1C(=O)[C@@H](C)N[C@H](C)c1ccccc1O	879647706	ITBYCNKAXDQJPK-RBSFLKMASA-N	304.434	3.222	10	20	DGCD	
COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)c(O)c1OC	894140238	BAHIXMHHTCAAGH-MWLCHTKSSA-N	319.323	3.182	10	20	DGCD	
Nc1ccc(CCNc2cc(Cl)nc([C@H]3CCCO3)n2)cc1	905626138	BHZRPRLVNLHGFS-CYBMUJFWSA-N	318.808	3.218	10	20	DGCD	
COC1(CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)CCOCC1	1320253306	TWKODAHELHLFIB-UONOGXRCSA-N	305.418	3.034	10	20	DGCD	
COc1ccc(CNC[C@H](C)c2ccc(F)cc2)c(O)c1OC	1335440418	DAOFKKWBPKYJSL-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1ccc(-c2cnn[nH]2)cc1	1578051908	WKBRERGPHFBECL-UHFFFAOYSA-N	302.284	3.068	10	20	DGCD	
C[C@H](NCc1ncc(Cl)s1)c1cc(C(=O)O)ccc1O	1593317629	RNDHZWJMAOINGU-ZETCQYMHSA-N	312.778	3.051	10	20	DGCD	
Cc1cc(O)c(CNCc2cc(C)c(C(=O)O)o2)c(Cl)c1	1607700161	VBYMZDOTXGDBLC-UHFFFAOYSA-N	309.749	3.243	10	20	DGCD	
CCN1CCc2cc(CN[C@@]3(C(=O)O)CCC[C@H](C)C3)ccc21	1776877431	HBGQJENEPDZUOW-LIRRHRJNSA-N	316.445	3.192	10	20	DGCD	
COCCn1cc(NCc2cc(Cl)cc(Cl)c2O)cn1	37090630	IXYOXDSOVJONJU-UHFFFAOYSA-N	316.188	3.154	10	20	DGCD	
COc1cccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])c1O	66812761	ODYLVZNFGSRTPY-UHFFFAOYSA-N	316.313	3.124	10	20	DGCD	
Cc1cccnc1CNCc1cccc(Br)c1O	71340013	TWQZWZWIGNKCGS-UHFFFAOYSA-N	307.191	3.148	10	20	DGCD	
O=C(c1ccncc1)N(Cc1ccco1)Cc1ccccc1O	72622109	XBUNAQVOTBMVLH-UHFFFAOYSA-N	308.337	3.223	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)CCn2cccn2)cc1	109970431	ZIXGCJDWMHOUHH-UHFFFAOYSA-N	322.412	3.063	10	20	DGCD	
O=C(Nc1cccnn1)N(Cc1ccco1)Cc1ccccc1O	151900954	VMPMYGRCLSSTKY-UHFFFAOYSA-N	324.340	3.010	10	20	DGCD	
CC[C@H](SC)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	153461303	RSSSCSWJIIRZNZ-HOCLYGCPSA-N	323.458	3.041	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(C)c(C)s2)c1	171720467	NLTIYACZPQZBGX-VIFPVBQESA-N	321.402	3.357	10	20	DGCD	
Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)sc1C	173198888	MQEYSJPTRXTINR-UHFFFAOYSA-N	316.426	3.470	10	20	DGCD	
C[C@H](NC[C@H]1CCCOC1)c1cc(Br)ccc1O	185089509	XUBIHLFYQUGFLF-WDEREUQCSA-N	314.223	3.232	10	20	DGCD	
CCO[C@@H](CCN(C)C)CN[C@@H](C)c1cc(Cl)ccc1O	185670691	ICXQCLCCOJIFPD-JSGCOSHPSA-N	314.857	3.053	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(C)(C)CC1	186380945	YFDMAGROFSRCOV-GFCCVEGCSA-N	305.418	3.361	10	20	DGCD	
CC[C@H](NC[C@H](C)OC)c1cc(Br)ccc1O	191206477	HKPPQDLQBBOIMT-CABZTGNLSA-N	302.212	3.230	10	20	DGCD	
COc1cc(Cl)cc(CNc2ccc(N(C)C)nc2)c1O	228668467	PURDQEMDTMFHRF-UHFFFAOYSA-N	307.781	3.127	10	20	DGCD	
CCc1ccc([C@@H](O)CN[C@H](C)c2cc(OC)ccc2O)cc1	276456808	VLTMEAZPTKRHOY-YJYMSZOUSA-N	315.413	3.347	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1CCCc2ccc(F)cc21	280965211	SOWQLFMNSYMSAQ-MRXNPFEDSA-N	314.360	3.408	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@@H](CO)Cc2ccc(F)cc2)c(O)c1	284975045	FWEVTFBMXSXRGN-RHSMWYFYSA-N	317.404	3.402	10	20	DGCD	
Cc1c(CNC(=O)N2CCS[C@H](C)C2)n(C)c2ccccc12	472289739	CUPZWRNRHFREPK-GFCCVEGCSA-N	317.458	3.134	10	20	DGCD	
CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C	727239744	LTJQFSCHURIGFV-OAHLLOKOSA-N	319.449	3.024	10	20	DGCD	
COc1ccc(O)c(CNc2nnc(C)cc2C(F)(F)F)c1	733994798	PBQCPTMJEKUNTH-UHFFFAOYSA-N	313.279	3.130	10	20	DGCD	
COC(=O)CC(C)(C)NCc1cc(-c2ccccc2)ccc1O	741255196	LMUHUFWCTWSYTC-UHFFFAOYSA-N	313.397	3.491	10	20	DGCD	
CN1Cc2ccccc2[C@H](NCc2c(O)cccc2Cl)C1	756995916	MLLAQXXTUBRISZ-MRXNPFEDSA-N	302.805	3.322	10	20	DGCD	
CC1(CCNCc2cc(-c3ccccc3)ccc2O)OCCO1	759179897	NTUPXRKKGHXLGD-UHFFFAOYSA-N	313.397	3.302	10	20	DGCD	
CC[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)c1ccc(N(C)C)cc1	766587212	XMKDKEHRJQJBNA-CCKFTAQKSA-N	301.478	3.276	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCO[C@@H](C)C1	770230499	SGINKCAXXYEBQX-KBPBESRZSA-N	318.442	3.453	10	20	DGCD	
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1	773994558	NRGZLXZPKWZIKY-GFCCVEGCSA-N	313.357	3.152	10	20	DGCD	
C[C@H](NCc1nc2ccccc2n1C)c1ccc(N(C)C)cc1	775365154	VCCXEIRYYIWFFY-AWEZNQCLSA-N	308.429	3.490	10	20	DGCD	
CO[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	776240409	VNXCJMHPXKSCNV-PBHICJAKSA-N	319.449	3.024	10	20	DGCD	
CC(C)Oc1cc(NC(=O)N(C)Cc2ccccc2O)ccn1	779927817	CWGFJUPLTWKVPY-UHFFFAOYSA-N	315.373	3.238	10	20	DGCD	
CCOC(=O)[C@@H](C)N(Cc1cc(Cl)cc(F)c1O)C1CC1	787440566	IWLUNSAKZGBATP-SECBINFHSA-N	315.772	3.101	10	20	DGCD	
COC(=O)[C@H](NCc1ccc(OC)c(C)c1)c1cccs1	789573669	YRNAZQNCIGQYGQ-OAHLLOKOSA-N	305.399	3.069	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](C)Cc2ccccc2F)c(O)c1	794387363	FAQDAYFNLHCLDL-LBPRGKRZSA-N	317.360	3.035	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1ccc(OC(F)F)nc1	801955738	VTOXQZPLZGAYQO-UHFFFAOYSA-N	323.299	3.053	10	20	DGCD	
O=C(NC1[C@H]2CC[C@H]1Cc1ccccc1C2)c1cc(O)cs1	807775311	AZYAYLBQIAECJH-KBPBESRZSA-N	313.422	3.377	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCCC[C@@H]2C[C@H](C)O)c1	809700559	JCHCAWHNDHMRSM-GOEBONIOSA-N	307.434	3.306	10	20	DGCD	
CC[C@H](NC[C@@H](O)C(C)C)c1ccc(C(F)(F)F)cc1O	810219972	YYVMCDOHWBJIAN-GXTWGEPZSA-N	305.340	3.469	10	20	DGCD	
Cc1cc(CN2C[C@@H](N3CCCC3)C[C@H]2C)ccc1N(C)C	815118516	WLGSIQPCIATWAS-AEFFLSMTSA-N	301.478	3.120	10	20	DGCD	
COCC1(CCNCc2c(O)ccc(Cl)c2F)CCC1	815147701	CVSWUXUHSSVJIS-UHFFFAOYSA-N	301.789	3.481	10	20	DGCD	
COc1cc(Br)cc(CNC2(C(C)C)CC2)c1O	815151364	NBBVRUSSQNUWOJ-UHFFFAOYSA-N	314.223	3.442	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)N[C@H](C)CCCN)c1O	817977870	QWDZLAWUDXIJAQ-GHMZBOCLSA-N	315.255	3.241	10	20	DGCD	
CCCC[C@](C)(F)C(=O)NCc1ccc(N2CCOCC2)cc1	823293127	XZQKFAKOOHAELD-SFHVURJKSA-N	322.424	3.058	10	20	DGCD	
COc1ccc(NCc2cc(Cl)c(C)cc2O)cc1CO	825002131	DYWQYULEPGTXRK-UHFFFAOYSA-N	307.777	3.467	10	20	DGCD	
Cc1cc(O)c(CNC[C@H]2COC3(CCCC3)O2)cc1Cl	825405065	BVOIBBLWXYPIBO-ZDUSSCGKSA-N	311.809	3.129	10	20	DGCD	
Cc1cc(CN(C)[C@@H](C)C[S@](C)=O)ccc1N1CCCCC1	828785140	CLMKNTQHTFUVHB-AOMKIAJQSA-N	322.518	3.184	10	20	DGCD	
CCCCC[C@@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O	832713812	RKBIEQUFOYUQBS-GFCCVEGCSA-N	320.216	3.256	10	20	DGCD	
O=C(NCCCSc1nccs1)NCC1=CCCCC1	838515040	UMRXPMHTLNQILD-UHFFFAOYSA-N	311.476	3.425	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1cnc(C)s1)CCC2	839656818	TWJRFTIWANGCEL-UHFFFAOYSA-N	304.415	3.422	10	20	DGCD	
CC(C)OCC(C)(C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	840355187	YGYBRJPDMHCSIP-CQSZACIVSA-N	321.465	3.316	10	20	DGCD	
C[C@@H](CNC(=O)N(C)Cc1ccccc1O)CC(F)(F)F	840433337	PZZJNLCAOLVTHT-SNVBAGLBSA-N	304.312	3.122	10	20	DGCD	
COc1ccc(OC(F)F)c(CNCCc2ccc(N)cc2)c1	841035931	QMEYIGDQEADTEA-UHFFFAOYSA-N	322.355	3.211	10	20	DGCD	
Cc1cc(CN[C@@H](CO)c2ccc(F)cc2F)ccc1N(C)C	852713944	RSLZLTJUEGCGGA-KRWDZBQOSA-N	320.383	3.162	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H]2CCCN(CC3CC3)C2)c(O)c1	853239283	DHWZJFUJTWHIMY-RDJZCZTQSA-N	302.462	3.473	10	20	DGCD	
Cc1ccc(C(=O)N2CCOc3ccccc3[C@@H]2C)c(O)c1O	856487086	OIESDIIYAORKRG-LBPRGKRZSA-N	313.353	3.002	10	20	DGCD	
CCCC[C@@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C(C)C	856994430	MUVIMUVWCFZJSF-MSOLQXFVSA-N	319.493	3.331	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cnccc1C(F)(F)F	857467041	PKKJUMHXWBAMFD-UHFFFAOYSA-N	310.275	3.078	10	20	DGCD	
CCC[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OCC	858368914	PJAHNARWBGURRE-YOEHRIQHSA-N	321.465	3.318	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)c3cnn(C)c3)c2C)c1	863162362	GBGDZJDPUKHQLA-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)(F)F	865712212	YADMNMJLJUHEQE-IUODEOHRSA-N	316.367	3.078	10	20	DGCD	
COc1ccccc1OCCN(C)Cc1c(C)cccc1O	876614081	XELFNYWDONPDNC-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
CCOc1ccc(N(C)CCCS(=O)(=O)C(C)(C)C)cc1	878126217	UZZIBILTXVNMCF-UHFFFAOYSA-N	313.463	3.125	10	20	DGCD	
CC1(C)C[C@@]1(C(=O)NCc1ccc(O)cc1O)c1ccccc1	910943883	PUWVCAVRLFNRBS-IBGZPJMESA-N	311.381	3.082	10	20	DGCD	
Cc1ccn2cc(CNCc3ccc4c(c3)CCCO4)nc2c1	921687712	JIMFYUYXGMMVSB-UHFFFAOYSA-N	307.397	3.258	10	20	DGCD	
COc1ccc(CNC2(Cc3ccccc3)CC2)c(O)c1OC	1334216915	HBWHLTXTDHRXFR-UHFFFAOYSA-N	313.397	3.274	10	20	DGCD	
CCS[C@@H]1CCCCN(C(=O)NCc2ccc(N)cc2)C1	1346739219	OOVITTSEEPCCJY-OAHLLOKOSA-N	307.463	3.086	10	20	DGCD	
CS[C@@H]1CCC[C@H](NC[C@H](N)c2ccc(N(C)C)cc2)C1	1579370395	QWCLZAFMKXYESQ-UAGQMJEPSA-N	307.507	3.016	10	20	DGCD	
O=C(O)c1cnc(SC[C@H]2CC[C@H](C(F)(F)F)O2)s1	1602537419	SUUHLUADDSUIDV-IYSWYEEDSA-N	313.322	3.043	10	20	DGCD	
O=C(O)c1cccc(NNC(=S)Nc2ccccc2Cl)c1	1608936209	FWNSGOVTRSIAHA-UHFFFAOYSA-N	321.789	3.352	10	20	DGCD	
Cc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	68512524	IIMYUWQKYBVIKG-MRXNPFEDSA-N	324.424	3.323	10	20	DGCD	
Cc1cc(C(=O)NC[C@@H](C)C[C@H](C)O)c(C)n1-c1ccccc1	77052687	QZAFUAREDIVTFO-ZFWWWQNUSA-N	314.429	3.231	10	20	DGCD	
Cc1ccc(CN(C(=O)CSc2nccs2)C2CC2)o1	77651207	PYWGCHQLLBSHTM-UHFFFAOYSA-N	308.428	3.328	10	20	DGCD	
O=C1[C@H](Sc2nccs2)CCCN1Cc1ccccc1	89685410	AEUQLDOTIYTYPJ-CYBMUJFWSA-N	304.440	3.426	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CCCO	123397670	NBMNCYZJHZQHNZ-LLVKDONJSA-N	306.431	3.046	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCC2(CC1)OCCO2	126104257	HKVJRONMHKDAQA-UHFFFAOYSA-N	318.200	3.038	10	20	DGCD	
CCCCOCCCNC1CCN(c2ccc(OC)cc2)CC1	132023618	KUESFGCMXBCHOF-UHFFFAOYSA-N	320.477	3.460	10	20	DGCD	
CCCCN(C)C(=O)C1CCN(Cc2cccc(C)c2O)CC1	179794385	VDSHTLXSTDFNCT-UHFFFAOYSA-N	318.461	3.171	10	20	DGCD	
CCN1CCN(c2cccc(NC(=O)c3ccc(C)cc3)c2)CC1	184280268	LKSLQJOQXFYYNA-UHFFFAOYSA-N	323.440	3.389	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	185512069	JVHXTRLAOKJKGO-DKCNOQQISA-N	324.273	3.462	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC(Oc2ccc(F)nc2)CC1	191673420	CYOFPODEGDVSQD-UHFFFAOYSA-N	320.339	3.109	10	20	DGCD	
CN(CCC1OCCCO1)Cc1ccc(N2CCCCC2)cc1	267983393	YKJIPMRCHMZBHD-UHFFFAOYSA-N	318.461	3.262	10	20	DGCD	
C[C@H](N[C@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1O	273596410	QTDZKRZUGYDOMD-BLLLJJGKSA-N	316.357	3.075	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1F	274753603	FJTXFRVRSFVUHR-UHFFFAOYSA-N	316.420	3.409	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccccc1O	274984510	ZSLBBEXZTHPNQX-LZWOXQAQSA-N	304.434	3.080	10	20	DGCD	
CN(C)c1ccc(CN2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)cc1	283783961	RVPOHOQDESJOHN-RTBURBONSA-N	322.456	3.306	10	20	DGCD	
CCOc1ccc(O)c(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1	291542626	LKLVJNYKPSCJCE-IRXDYDNUSA-N	305.418	3.180	10	20	DGCD	
C[C@@H](NCC1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1	293619599	JPPNGIXMMQZRSS-CYBMUJFWSA-N	310.388	3.219	10	20	DGCD	
Cc1nnsc1CN[C@H](C)c1cc2c(cc1O)CCCC2	293833709	WPIZUXSUXZCUGS-SNVBAGLBSA-N	303.431	3.282	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCc2ncccc2C)c1	294937360	GPSWSAGJWYUZEB-CQSZACIVSA-N	300.402	3.388	10	20	DGCD	
C[C@@H](N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])C1(C)CC1	385192267	NDSSDHVMOXBDST-OKPNEXGHSA-N	304.346	3.317	10	20	DGCD	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	588403545	LZMUWIGFKXUZPG-JOTVYFQTSA-N	315.344	3.470	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)COC2	734402226	JMOKKQHFTIONQN-UHFFFAOYSA-N	310.397	3.021	10	20	DGCD	
Cc1cccc2c(CCC(=O)NCc3ccccc3O)c[nH]c12	743327768	PVTTUPGIMWMYKS-UHFFFAOYSA-N	308.381	3.431	10	20	DGCD	
CCCN(CC(=O)Nc1cccc(F)c1)Cc1ccccc1O	750875782	XUUBSPGDALACDK-UHFFFAOYSA-N	316.376	3.382	10	20	DGCD	
CC1CCN(C2CCC(NC(=O)c3cc(O)cs3)CC2)CC1	752650831	SABMRXVCMULKBC-UHFFFAOYSA-N	322.474	3.227	10	20	DGCD	
CC1CC(NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1	753025426	WMIWTHWCDJZZJS-UHFFFAOYSA-N	314.385	3.496	10	20	DGCD	
Cc1ccccc1[C@@H](CC(=O)O)NCc1ccc2c(c1)CCO2	756362350	MDNZFRMFFLJCIQ-QGZVFWFLSA-N	311.381	3.236	10	20	DGCD	
COc1cc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)ccn1	756402768	YKGBQBNQSJKSHG-MFKMUULPSA-N	302.349	3.273	10	20	DGCD	
C[C@H]1C[C@@H](NCCC(=O)N2CCCCC2)c2c(O)ccc(F)c21	756433734	YGYRENBFOGVUJQ-GXTWGEPZSA-N	320.408	3.072	10	20	DGCD	
C[C@@H]1C[C@@H](NCCNC(=O)OC(C)(C)C)c2c(O)ccc(F)c21	756517955	RIRWOGJETOWBCE-ZYHUDNBSSA-N	324.396	3.194	10	20	DGCD	
COc1ccc2c(c1)OC[C@@H](N[C@H](C)c1cc(C)ccc1O)C2	756774965	MYWPOXDSPDBRFV-HIFRSBDPSA-N	313.397	3.364	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1	758529679	QOYIGPLBBMDPAP-PKOBYXMFSA-N	315.388	3.096	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc2ccccc2n1	759590950	YJAKNDLIMCWOFC-UXBLZVDNSA-N	321.332	3.403	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC(C)(C)C1	768763699	JYXVXHZOQZFFND-OAHLLOKOSA-N	303.450	3.439	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1	769397255	OFOSGEMQMHHQQM-AWEZNQCLSA-N	320.433	3.142	10	20	DGCD	
Cc1cccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2O)n1	769480402	NMZQOIIUYHNOLM-UHFFFAOYSA-N	321.764	3.289	10	20	DGCD	
Oc1ccccc1CN1CCN(Cc2ccc(Cl)cc2)CC1	770509541	NXRJPUQHSJNNGQ-UHFFFAOYSA-N	316.832	3.363	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ncn(-c2ccccc2)n1	771442964	FKOXRVDFEAOXLE-UHFFFAOYSA-N	320.396	3.229	10	20	DGCD	
C[C@H](Nc1ccc(C(=O)NC2CC2)cn1)c1ccc(N(C)C)cc1	772300322	ZUIDRESTZWCGBD-ZDUSSCGKSA-N	324.428	3.213	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1O	773262211	OIZHEZOGFOTEFZ-JKSUJKDBSA-N	319.445	3.348	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCCCC1	774484976	UGSJXXFSQJTSKU-CABCVRRESA-N	317.477	3.241	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H]2CCN(C(C)C)C2)cc1	775647281	QZFGBZIRZROHJS-LJQANCHMSA-N	303.494	3.447	10	20	DGCD	
COc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nc1	775943294	XDUOOYUPPWVIBO-UHFFFAOYSA-N	311.429	3.321	10	20	DGCD	
CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(O)c2O)c1	776336678	NAXVONNAYWENNB-UHFFFAOYSA-N	314.341	3.007	10	20	DGCD	
CC[C@@H](NCc1ccc(N(C)C)cc1C)C1(C(=O)OC)CCC1	779348020	ORESHSGZLCQXGF-QGZVFWFLSA-N	318.461	3.273	10	20	DGCD	
COc1ccc(Cl)c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1	779503374	NALKZZIWGFRKLN-CLTKARDFSA-N	319.744	3.412	10	20	DGCD	
CC(C)[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	779511796	LHHPXHNPPCAYBI-MMCPSDEHSA-N	303.402	3.442	10	20	DGCD	
COc1cc(CN(C)c2ccc3c(c2)OCO3)cc(OC)c1	780778042	ACCCJGSBURINOX-UHFFFAOYSA-N	301.342	3.069	10	20	DGCD	
C[C@@H]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1	780784144	JRXHNJYXHWQNKT-OCCSQVGLSA-N	302.418	3.259	10	20	DGCD	
CO[C@H](C)CCC(=O)NCc1ccc(N2CCCCC2)cc1	782608296	NTOUXCTUNXZFFT-OAHLLOKOSA-N	304.434	3.108	10	20	DGCD	
O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccsc1	795551185	ZYVVSSCNKRWNPZ-UHFFFAOYSA-N	312.397	3.265	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1coc(OCC)n1	801549907	GNBRMBDIRNBVJB-UHFFFAOYSA-N	318.373	3.221	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(F)c1Cl	806770312	YMQXTQJVJUAZCG-UHFFFAOYSA-N	324.739	3.255	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)s1	808113948	NPLVZHRXCCYAIN-UHFFFAOYSA-N	321.782	3.355	10	20	DGCD	
CC[C@H]1CC[C@@H](C)N1Cc1ccc(N2CCN(C)CC2)cc1	809768604	QCIQLRMUEAZOCL-AEFFLSMTSA-N	301.478	3.201	10	20	DGCD	
OCC1(CN[C@@H](CCc2ccccc2)c2ccccc2O)CC1	815585412	HCRNRJYMQRPVBS-SFHVURJKSA-N	311.425	3.428	10	20	DGCD	
c1csc(SCc2ccc(CN3CCOCC3)cc2)n1	817582306	XNCAEKFFXGZFLF-UHFFFAOYSA-N	306.456	3.268	10	20	DGCD	
CC(C)C(CN1C(=O)CN(Cc2ccccc2O)C1=O)C(C)C	819171549	ZJISQMREQWOBCX-UHFFFAOYSA-N	318.417	3.085	10	20	DGCD	
CN(C)CCCC(C)(C)NCc1cc(Cl)cc(F)c1O	824914152	NEHKUOPNODDYJI-UHFFFAOYSA-N	302.821	3.395	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCCC2(F)F)c1	825737326	ZHTSZDMAJWGZSP-GXFFZTMASA-N	313.344	3.404	10	20	DGCD	
CCC[C@@H](O)CN(CC)Cc1cc(Br)ccc1O	827945190	RCUFKWJMOMLJGA-CYBMUJFWSA-N	316.239	3.138	10	20	DGCD	
C[C@H](CC1CCCC1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832274835	ZOZGNRBBRNMRFH-RDTXWAMCSA-N	317.477	3.085	10	20	DGCD	
C[C@H](NC[C@@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1O	834910995	QXSOQHBJARFADG-NWDGAFQWSA-N	308.378	3.156	10	20	DGCD	
CC(C)C1(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1	838031884	OPZHDMNWYGSDDJ-UHFFFAOYSA-N	301.434	3.057	10	20	DGCD	
Cc1cc(Br)cc(CN2[C@H]3CC[C@H]2CC(=O)C3)c1O	839132283	XYYINLAMUYRETQ-STQMWFEESA-N	324.218	3.159	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1CCOC2(CCC2)C1	840950913	QPJKZTBXUMEYTQ-INIZCTEOSA-N	302.462	3.500	10	20	DGCD	
Cc1ccccc1C[C@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	841041749	BHCCLTBHSFSHTQ-JXFKEZNVSA-N	311.473	3.282	10	20	DGCD	
CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2[C@H]2CCNC2)cc1	841087457	NWNXDBPYONRKDA-RJOJHWARSA-N	313.489	3.230	10	20	DGCD	
COc1ccc(C(C)(C)CNC(=O)Nc2ccc(N)cc2)cc1	841301778	YOJJMUQWLUTZEZ-UHFFFAOYSA-N	313.401	3.377	10	20	DGCD	
COc1ccc(CNC[C@H](CC(=O)O)c2ccccc2)cc1C	841793216	AONHIUZFINUGCY-KRWDZBQOSA-N	313.397	3.352	10	20	DGCD	
CCn1cncc1CN(Cc1ccco1)Cc1ccccc1O	841828005	SXZJCAUQXFUOLZ-UHFFFAOYSA-N	311.385	3.404	10	20	DGCD	
CC(C)c1cc(NCc2cc(Cl)ccc2O)n2ncnc2n1	845704387	AIJXERBNMMOMQY-UHFFFAOYSA-N	317.780	3.219	10	20	DGCD	
COc1ccccc1CCN[C@@H](C)c1cccc(OC)c1O	846138304	VNNFLNFCOKWPPM-ZDUSSCGKSA-N	301.386	3.303	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccnc(SC)c2)c1O	846145992	FAUZEAIMUDVREU-NSHDSACASA-N	304.415	3.369	10	20	DGCD	
COCCc1ccnc(N[C@@H](C)c2cccc(OC)c2O)c1	846173576	TULXIUGPQGGQCE-LBPRGKRZSA-N	302.374	3.158	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)Cc2ccccn2)ccc1OC	848566955	MWCGDYKQEGMWBH-HNNXBMFYSA-N	314.429	3.348	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCc2c(O)cccc2C1	862529482	LVHFBIYPXZFIIC-UHFFFAOYSA-N	307.752	3.449	10	20	DGCD	
CC[C@H](CC(F)(F)F)NC(=O)N[C@H](C)c1ccccc1O	868501450	KEURRSJFOHLTSR-NXEZZACHSA-N	304.312	3.483	10	20	DGCD	
CN(Cc1ccccc1O)Cc1ccccc1OCCCCO	876616118	SRGSFYIZPTXUTM-UHFFFAOYSA-N	315.413	3.176	10	20	DGCD	
CC(=O)N1CC[C@H](NCc2c(C)cccc2O)c2ccccc21	877120655	LMNYGVYISFYTJF-KRWDZBQOSA-N	310.397	3.288	10	20	DGCD	
CC[C@H](N[C@H](CCO)C(F)(F)F)c1cccc(Cl)c1O	886804441	XZKACGFODWOSLS-WDEREUQCSA-N	311.731	3.400	10	20	DGCD	
CCN(CCc1ccccc1)Cc1ccc(OC)c(OC)c1O	891620026	MNKSOVMTZWJKHC-UHFFFAOYSA-N	315.413	3.474	10	20	DGCD	
CC(C)OC(=O)C(C)(C)NCc1c(O)ccc(Cl)c1F	898507134	PPKKCNJZHMTKAX-UHFFFAOYSA-N	303.761	3.005	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@](C)(C1CC1)C(F)(F)F	933595643	TZFBBSYQCHOQDN-CQSZACIVSA-N	316.323	3.265	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@H](C)CC(C)C)cc1C	1169415100	WRJSGDWYSDGCIV-MRXNPFEDSA-N	320.477	3.282	10	20	DGCD	
COCC1(CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)CCOCC1	1324085672	BEUKXXRRYINNON-CABCVRRESA-N	319.445	3.282	10	20	DGCD	
Cc1ncccc1/C=C\C(=O)N1CCCc2ccc(C(=O)O)cc21	1600751573	MBOBMKPOUBLMJS-HJWRWDBZSA-N	322.364	3.081	10	20	DGCD	
CCOc1ccc(N(C)CCOc2ccccc2C(=O)O)cc1	1603869556	XTOIVSFGOLJONH-UHFFFAOYSA-N	315.369	3.299	10	20	DGCD	
Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1cccc(F)c1	3392970	OJNQPJMQSDNKKM-UHFFFAOYSA-N	315.344	3.369	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCSC(C)(C)C	115674111	KLDIWWIRRMYNAI-UHFFFAOYSA-N	323.506	3.392	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)CC[C@@H]2CCCCN2C)c1O	175740487	QWMUTEGPZQTKTF-INIZCTEOSA-N	322.424	3.040	10	20	DGCD	
CO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1	182904181	BVDFSYUPQUUHFJ-GOSISDBHSA-N	312.413	3.099	10	20	DGCD	
C[C@@H]1CC(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C[C@H](C)C1	186391509	HFVWREOQTHAOKK-SXBYAPGRSA-N	305.418	3.217	10	20	DGCD	
C[C@@H](NCC12CC(CO1)C2)c1cccc(C(F)(F)F)c1O	527980220	MVPJVBMGHXGPOV-NAUIOFCNSA-N	301.308	3.241	10	20	DGCD	
Cc1nc(C(C)(C)NCc2ccc(N3CCCCC3)cc2)no1	264256210	CLUNSOBSKNYYPR-UHFFFAOYSA-N	314.433	3.393	10	20	DGCD	
Nc1ccc(CC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1	364264217	XEILVVCMQZSWNF-QGZVFWFLSA-N	312.438	3.128	10	20	DGCD	
Cc1ccc([C@H](C)NCc2nncn2-c2ccccc2)c(O)c1C	273435015	WRZAFYOPUBMZLU-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NC[C@H]2CCOC2)c1O	275272375	CFYLEILCWKQULO-WDEREUQCSA-N	314.223	3.150	10	20	DGCD	
CC[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(F)cc1O	285977013	HLMUUMNZGMDINM-RNODOKPDSA-N	301.427	3.119	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc(C2CC2)no1	281934807	KQTFYYOYLPCIMC-UHFFFAOYSA-N	312.369	3.066	10	20	DGCD	
Cc1nnc(NCc2ccc(N(C)C)cc2C(F)(F)F)o1	280025928	KJUFISOBLBXDEL-UHFFFAOYSA-N	300.284	3.075	10	20	DGCD	
O=C(C[C@@H]1CCCOC1)NCc1cc(Cl)cc(Cl)c1O	807836753	NMTFURXTRYGXEI-VIFPVBQESA-N	318.200	3.132	10	20	DGCD	
CCOc1ccc(O)c(CN2CCOC[C@H](C3CCC3)C2)c1	292802131	NRPGJYJAQPNBHQ-MRXNPFEDSA-N	305.418	3.039	10	20	DGCD	
COc1cccc(CN2CCCN3c4ccccc4C[C@H]3C2)c1O	291655989	UYOPLLQODPTOEU-KRWDZBQOSA-N	324.424	3.038	10	20	DGCD	
C[C@@H](CO)N(Cc1cc(Cl)cc(F)c1O)CC1CCC1	809665514	VGOADMBQXFPUON-JTQLQIEISA-N	301.789	3.168	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCC2([S@](C)=O)CCC2)c1O	808719336	VYRSZQBDOMUZQE-YBTHPKLGSA-N	315.866	3.306	10	20	DGCD	
CCC[C@@]1(CO)CCN(Cc2cc(Cl)cc(F)c2O)C1	809790725	LWKITRPYDAAOAR-OAHLLOKOSA-N	301.789	3.169	10	20	DGCD	
C[C@@H](NCC1CCNCC1)c1ccc(Cl)c(Cl)c1O	817940431	HENNAIXLVJTIOH-SECBINFHSA-N	303.233	3.349	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1	815118517	ILMWBGCWJJGAEB-NRFANRHFSA-N	324.468	3.279	10	20	DGCD	
Cc1ccc(C(N)=O)cc1NCc1cc(Cl)c(F)cc1O	816525423	SGDSPNJTMRPVQD-UHFFFAOYSA-N	308.740	3.204	10	20	DGCD	
CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc2ccccc2c1O	816568528	JDNRCHWPIFPWSQ-CHWSQXEVSA-N	301.386	3.223	10	20	DGCD	
C[C@@H](NCC(C)(C)N)c1cc(Br)cc(Cl)c1O	817960800	QMPIFFMHYGQRPQ-SSDOTTSWSA-N	321.646	3.196	10	20	DGCD	
C[C@H]1[C@H](N2CCCC2)CCN1Cc1cc(Cl)c(F)cc1O	816609528	FDWHDAQCYHNREI-XHDPSFHLSA-N	312.816	3.243	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C(F)=C/C2CCCCC2)c1	825840149	QQFGZKQQEUAKJE-DHDCSXOGSA-N	307.365	3.451	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O	824716374	SZMAHFNHAMQRBC-BPLDGKMQSA-N	313.800	3.310	10	20	DGCD	
OC[C@H](C1CC1)[C@@H](NCc1ccc2ccccc2c1O)C1CC1	824846323	QRPBZQOCSSJMJN-MOPGFXCFSA-N	311.425	3.432	10	20	DGCD	
COCC(C)(C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	727403220	IDFVMLRRQNWRTI-UHFFFAOYSA-N	318.392	3.388	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	734385111	LZUDBBLHFLTBHY-ZQIUZPCESA-N	317.502	3.214	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@@H](Cc2ccc(F)cc2)C1	736723868	BKILABHFKKRACS-LBPRGKRZSA-N	305.374	3.298	10	20	DGCD	
CC(C)[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	837624964	DBWFZHFGIFNVQN-DLBZAZTESA-N	301.434	3.131	10	20	DGCD	
Cc1cc(Br)c(O)c(CNC[C@H]2CC[C@H](C)O2)c1	835086086	FBIKOAMCXAAVSR-CMPLNLGQSA-N	314.223	3.120	10	20	DGCD	
COCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCC1	837541158	GGPGDRFEDYIAQZ-AWEZNQCLSA-N	304.434	3.137	10	20	DGCD	
CCCC(C)(C)NC(=O)NCc1ccc2c(c1)CCCN2C	734943526	WQHAAPMXDSPWDP-UHFFFAOYSA-N	303.450	3.447	10	20	DGCD	
Cc1cnc(CCNCc2ccc(N(C)C)c(F)c2)c(C)c1	848564171	IMUILMCJJBSXJC-UHFFFAOYSA-N	301.409	3.236	10	20	DGCD	
Cc1cccnc1C(=O)NCc1ccc(N2CCCCC2)cc1	749930400	KINCGWJKFFVLHA-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
CCO[C@H]1C[C@@H](N[C@@H](C)c2cc(Br)ccc2O)C1	840764293	QGTLSLVDHYAAAD-ZMLRMANQSA-N	314.223	3.373	10	20	DGCD	
Nc1ccc(NC(=O)NC[C@H]2CCC3(CCCCC3)O2)cc1	841297088	NCLLNUSKRSJSCD-OAHLLOKOSA-N	303.406	3.272	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cnc3ccccc3c2)cc1	841044924	FYHJJOXTZDIMAD-IBGZPJMESA-N	320.440	3.090	10	20	DGCD	
COCC[C@@H](NC(=O)Nc1ccc(N)cc1)c1ccc(C)o1	841295535	AJAKKMBUQXDEIY-CQSZACIVSA-N	303.362	3.070	10	20	DGCD	
CCN(CC)c1ccc(CN(C2CCNCC2)C2CC2)cc1	843044213	YMNLKUWSMQJUJF-UHFFFAOYSA-N	301.478	3.249	10	20	DGCD	
COc1ccc2nc(C)c(C(=O)NCc3ccccc3O)cc2c1	748349444	GHOCIZUCMBZFHP-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
COc1ccc(CCC(=O)NCc2ccccc2O)cc1Cl	748345710	IRROGVJZKWWDJB-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCOCC3(CCC3)C2)c1	758975081	YZISOOUSJYVLGX-UHFFFAOYSA-N	319.445	3.398	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H]2CCCN2CC(F)(F)F)c(O)c1	926922906	SFDWUDLWGSODCC-OLZOCXBDSA-N	316.367	3.378	10	20	DGCD	
COc1cc(CN[C@H]2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1	850234569	IHESYCOWPCWSQV-OCCSQVGLSA-N	307.434	3.355	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NOCC(F)F	759338202	RHAQQQVKAWREFH-UHFFFAOYSA-N	300.330	3.082	10	20	DGCD	
COc1cc(CN2CCCOC[C@@H]2C)c(O)c(C(C)(C)C)c1	754739481	CCXXLOPEPFOHDP-ZDUSSCGKSA-N	307.434	3.309	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1nccs1	757701289	YHVJVTKXBFPCGZ-VHSXEESVSA-N	307.375	3.211	10	20	DGCD	
COC[C@@H]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1	754739845	CIFBDQMIQNNMOC-CYBMUJFWSA-N	307.434	3.167	10	20	DGCD	
C[C@@H](O)C[C@H]1CCCCN1Cc1cc(F)c(N(C)C)cc1F	862351270	IMFUKWUTISDDPL-TZMCWYRMSA-N	312.404	3.156	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@H](C)CC2(C)OCCO2)c(O)c1	866426808	DWUCGZAOONZHGV-UKRRQHHQSA-N	307.434	3.449	10	20	DGCD	
COc1cccc(O)c1CNc1cccc(N=S(C)(C)=O)c1	1119517554	XODLBAARPQFKQZ-UHFFFAOYSA-N	320.414	3.372	10	20	DGCD	
O=C(CCSc1ccc(F)cc1)NCc1ccccc1O	769363486	RGBUCLLAYOMBBV-UHFFFAOYSA-N	305.374	3.330	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2cccnc12	773763666	XRMXMVISFPOUHW-GFCCVEGCSA-N	322.364	3.007	10	20	DGCD	
CCCCCN(CCO)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776245746	NNEKUGUGDWHIMS-OAHLLOKOSA-N	321.465	3.008	10	20	DGCD	
C[C@H](NC(=O)CCCCN1CCCC1)c1ccc(N(C)C)cc1	773015618	QUNLFWKUBAHKLI-INIZCTEOSA-N	317.477	3.196	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1C	776765975	MXURVRPTKTXAMD-IBGZPJMESA-N	315.388	3.242	10	20	DGCD	
COc1cccc2c1O[C@H](c1cc(Cl)cc(F)c1O)NC2=O	877842659	KAXCKMOMAUQHGQ-OAHLLOKOSA-N	323.707	3.014	10	20	DGCD	
CN(CC1CC1)C[C@H]1CCN(Cc2cccc(Cl)c2O)C1	775725985	NOGIVDPSFGBICA-CQSZACIVSA-N	308.853	3.209	10	20	DGCD	
C[C@@H](N[C@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1	773012599	WOMURQYWVNDYCB-FZKQIMNGSA-N	302.393	3.276	10	20	DGCD	
Cn1cnc(/C=C/C(=O)N2CCCc3cc(Cl)ccc32)c1	1120247875	HEQORJFGISWFSF-FNORWQNLSA-N	301.777	3.066	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@@H]3CCC(C)(C)C3)CC2)cc1	781559590	NYXYZJKHAKYBJK-OAHLLOKOSA-N	316.445	3.170	10	20	DGCD	
c1ccc([C@H](Cn2ccnc2)NCc2ccc3c(c2)CCO3)cc1	883398257	HZNWTFICDXOJCU-IBGZPJMESA-N	319.408	3.349	10	20	DGCD	
Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(Cl)c1C	783590694	XSSQYYKKVXHKDW-UHFFFAOYSA-N	319.788	3.341	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)s2)c(O)c1	792898131	HGWKJNWCTNEGSS-LLVKDONJSA-N	320.414	3.331	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)cc2)c(O)c1	792817837	BWPILNIXBNXVIG-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@](C)(CC)OC)cc1F	795086653	QRRLKXZSINGKLM-KRWDZBQOSA-N	310.413	3.103	10	20	DGCD	
CCOc1ccc(N2CCN(CCCCCCCO)CC2)cc1	1319715531	SRYIKEDVJONJOO-UHFFFAOYSA-N	320.477	3.150	10	20	DGCD	
CNC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)c(C)c1	1323297571	IOEIBJIVTGVIQA-UHFFFAOYSA-N	315.392	3.172	10	20	DGCD	
C[C@@H]1c2c(F)cccc2CCN1C(=O)NCc1ccc(N)cc1	1335736715	GPIYDYFWTBPFSV-GFCCVEGCSA-N	313.376	3.237	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1[C@@H](C)C1(F)F	1348738350	QORDVRQGXYRMMA-ZOWXZIJZSA-N	310.388	3.009	10	20	DGCD	
CC(C)c1oncc1C(=O)NCCCSc1nccs1	1520987128	QQTZIRTVENICBS-UHFFFAOYSA-N	311.432	3.167	10	20	DGCD	
Cc1nc(COc2ccc(N(C)C)c(C(=O)O)c2)sc1C	1600703866	XWEOELYRAQWLBU-UHFFFAOYSA-N	306.387	3.103	10	20	DGCD	
CCOc1cc(OCc2cc(C(=O)O)oc2C)ccc1[N+](=O)[O-]	1597045068	VGSQGRPFANKAAR-UHFFFAOYSA-N	321.285	3.172	10	20	DGCD	
CCN(CC)c1ccc(CNCc2occc2C(=O)O)cc1F	1776883256	DDAKELYQPKJJMQ-UHFFFAOYSA-N	320.364	3.253	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCCO1)c1cc(Br)ccc1O	19963688	VOHFTGKOOKSNFN-WCQYABFASA-N	314.223	3.374	10	20	DGCD	
CCN(C(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(C)C	162581812	YJRNEGZIVDWMLE-UHFFFAOYSA-N	319.449	3.058	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1csc(-c2ccc(F)cc2)n1	205609121	ZEQSNISPSPXJDT-BJMVGYQFSA-N	322.411	3.438	10	20	DGCD	
CC[C@H](CN[C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	227714355	UASVTRCFLORHNC-QWHCGFSZSA-N	308.422	3.346	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]2c2cc(C)on2)c1O	21720391	CDTDEAIZUPHGBL-HNNXBMFYSA-N	302.374	3.424	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2c(C)noc2C)cc1F	66841386	KKLNDJSDYYJVBT-UHFFFAOYSA-N	319.380	3.207	10	20	DGCD	
Oc1cccc(Cl)c1CNCCc1cn2ccccc2n1	113319378	XIMBXXCOUPIVEZ-UHFFFAOYSA-N	301.777	3.026	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1csc(C2CC2)n1	115280192	BHYPLCVRUFKAAP-UHFFFAOYSA-N	315.442	3.325	10	20	DGCD	
CSCC[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	120562291	PANCWXCUYGVFPE-LBPRGKRZSA-N	317.458	3.361	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc(Cl)c2F)cc1	124024768	NOLXBYFAOHDONU-UHFFFAOYSA-N	306.768	3.475	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CCCC2	151873906	VFLSFXRUIRUKFM-UHFFFAOYSA-N	317.410	3.380	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	158080398	RWPDLVWPCVHVOL-NFAWXSAZSA-N	316.426	3.205	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c(O)c1O	177667052	ZDBSOZGLJQAJKZ-HNNXBMFYSA-N	311.381	3.254	10	20	DGCD	
COC(=O)NCc1ccc(NCCc2ccc(OC)cc2)cc1	178403351	VTWNIWDENGXILY-UHFFFAOYSA-N	314.385	3.206	10	20	DGCD	
COC1(C(=O)NCc2ccc3c(c2)CCCN3C)CCCCC1	185193023	ZUBRUIUOYVHSOD-UHFFFAOYSA-N	316.445	3.035	10	20	DGCD	
C[C@H](NC[C@@H]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1	189311819	AAANIIBVOSMLOT-FCEWJHQRSA-N	302.462	3.489	10	20	DGCD	
COCCc1ccccc1NC(=O)N(C)Cc1ccccc1O	189468763	NGVOSLLCWVACBO-UHFFFAOYSA-N	314.385	3.245	10	20	DGCD	
COc1ccc([C@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1	237372811	QVQPCMFXYKPXAM-GOSISDBHSA-N	310.397	3.184	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1	255872019	QXXIZPXKEMQRRW-FPLPWBNLSA-N	303.343	3.036	10	20	DGCD	
CCC1(O)CCN(Cc2ccc(N3CCCCC3)cc2)CC1	271194155	MVBKQEQGKXWYOB-UHFFFAOYSA-N	302.462	3.414	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)c(O)c1O	272854705	TVWBUBHFHPPUME-CYBMUJFWSA-N	303.383	3.445	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1	273343750	AFIGOOHEDGDIKT-MNOVXSKESA-N	304.394	3.054	10	20	DGCD	
CC[C@@H](O)CCNCc1ccc(N(C)C)cc1C(F)(F)F	280132581	DGUVPGYJIAOLOO-CYBMUJFWSA-N	304.356	3.022	10	20	DGCD	
C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(N2CCCCC2)cc1	282317546	NJCQEUYCYHJJKO-IVZQSRNASA-N	320.502	3.239	10	20	DGCD	
CSCC1CCC(NCc2cc3c(cc2O)OCO3)CC1	295000285	ILALVNCPKAGBJL-UHFFFAOYSA-N	309.431	3.132	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(N(C)C)cc1	319655186	BDAPIAHXKKTHQI-GFCCVEGCSA-N	311.385	3.257	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@H]1CCOC2(CCOCC2)C1	322301651	WDRUCSNDLTWAQQ-SFHVURJKSA-N	318.461	3.090	10	20	DGCD	
COc1cc(Br)cc(CN2[C@H]3C=CC[C@H]2CC3)c1O	367536064	PCSPIZZAXIBHRS-STQMWFEESA-N	324.218	3.456	10	20	DGCD	
CC(C)OCC(C)(C)NCc1cccc(Br)c1O	396400970	XUSWWZNMPCUMGO-UHFFFAOYSA-N	316.239	3.448	10	20	DGCD	
Cc1cc(C)c(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c1	588405380	KDAVZUDRXXVUPK-ALCCZGGFSA-N	311.381	3.353	10	20	DGCD	
CCOC(C)(C)CNCc1ccc(Br)cc1O	691428619	MTLFHGFZIPTFRO-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
CN1CCCc2cc(CNCc3cnc4ccccc4n3)ccc21	727644393	JVZHPRNQQHONHH-UHFFFAOYSA-N	318.424	3.302	10	20	DGCD	
COC1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	733968586	UUOJJMINNHNEML-UHFFFAOYSA-N	318.804	3.218	10	20	DGCD	
CCOc1ccc(N(C)C[C@@H](O)COc2cccc(C)c2)cc1	740423936	WWFQAJPAFWNHIC-QGZVFWFLSA-N	315.413	3.270	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC23CCC(CC2)C3)c1	757053670	RXIYCOLTZVTJRW-ZVLZOBCMSA-N	318.417	3.341	10	20	DGCD	
CC[C@]1(C)COCCN1Cc1cc(Cl)cc(C(C)=O)c1O	761110444	OZPAZIOFXGIHRB-MRXNPFEDSA-N	311.809	3.249	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1nccs1	770301993	YJRJMLZYHKWFGC-UHFFFAOYSA-N	301.415	3.063	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@@H](CC)c1cc(Cl)ccc1O	775488554	IXKGPXXSJCDUEZ-FZMZJTMJSA-N	312.841	3.391	10	20	DGCD	
CC[C@H](NC[C@H](O)COc1cccc(F)c1)c1ccccc1O	775491008	XPTPDACUPFMNOM-YOEHRIQHSA-N	319.376	3.012	10	20	DGCD	
CCN(CC)[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775648096	QPXCCTFCVRRMQJ-ZDUSSCGKSA-N	300.805	3.101	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCCN1CCc2ccccc21	776089453	SAADZFICSZYZTL-UHFFFAOYSA-N	320.795	3.337	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@H]1C1CCOCC1	776769900	ZAUJHYSSKSELBE-SFHVURJKSA-N	312.413	3.331	10	20	DGCD	
CCOc1ccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1	779519341	KRAPUORRJRCWGR-VZUCSPMQSA-N	313.353	3.173	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCSCC[C@H]1C	790375428	NSHAAOHOZMAQKE-CQSZACIVSA-N	321.490	3.098	10	20	DGCD	
C[C@@H](NCCN1CC=CCC1)c1cc2c(cc1O)CCCC2	794836191	SNMXCFTZCCCXRU-OAHLLOKOSA-N	300.446	3.184	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCC2([S@@](C)=O)CCC2)c1O	808719333	VYRSZQBDOMUZQE-BIBXISHDSA-N	315.866	3.306	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(C(F)F)CCCC2)c1	813489017	LOHFDRWROPDUOH-JTQLQIEISA-N	313.344	3.404	10	20	DGCD	
CNC(=O)Oc1cccc(NCc2c(O)cccc2Cl)c1	813791253	AKYXXKHFWZQHEF-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
Cn1ccnc1[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	816593409	QTVZEZNNFKXJNP-NSHDSACASA-N	323.799	3.298	10	20	DGCD	
CC[C@@H]1CN(C)CCN1Cc1cc(Cl)cc(Cl)c1O	816660880	SQIAQIMMJWCSNA-GFCCVEGCSA-N	303.233	3.225	10	20	DGCD	
CC(C)C[C@H](CN)N[C@@H](C)c1cc(Br)ccc1O	817957555	CVYPMLZFZYGNAD-CMPLNLGQSA-N	315.255	3.179	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CSc3ccccc32)c1	824484040	YSPBXUOQZAVKJH-GFCCVEGCSA-N	316.382	3.280	10	20	DGCD	
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C)c(C)cc1O	824861936	SZRUZTHUPCZLOV-CVEARBPZSA-N	305.418	3.221	10	20	DGCD	
Cc1cc(O)c(CN(C)C2C[C@@H]3CC[C@H](C2)N3C)cc1Cl	825884783	AENPRNOEVMGOBW-YIONKMFJSA-N	308.853	3.411	10	20	DGCD	
Cc1cnn([C@@H]2CCN(Cc3cc(Cl)c(C)cc3O)C2)c1	825955727	PVIBZEQVOUHBIO-CQSZACIVSA-N	305.809	3.306	10	20	DGCD	
CC(=O)c1nc(NCc2ccc(N(C)C)c(F)c2)sc1C	827495932	AJQZRMJIAPCTMQ-UHFFFAOYSA-N	307.394	3.471	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccccc1O	827936928	GVJBVTJWEPYDJL-VOWSPCBNSA-N	307.393	3.474	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1nc(C)cs1)CCC2	839656847	UHWAKXPFSNKUBO-UHFFFAOYSA-N	304.415	3.422	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H]1C1CCOCC1	840936598	MBGKORSNFCWNBU-IBGZPJMESA-N	302.462	3.452	10	20	DGCD	
CC[C@H](C)Oc1cc(CNC(=O)Nc2ccc(N)cc2)ccn1	841296599	VYUSUTSOKZVVTJ-LBPRGKRZSA-N	314.389	3.163	10	20	DGCD	
CC(=O)N(C)c1ccc(NCc2ccc(N(C)C)cc2C)cn1	841505322	NIDKSAVYTOGHBO-UHFFFAOYSA-N	312.417	3.051	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@H](N[C@H](C)c2cc(OC)ccc2O)[C@@H]1C	845970877	FAVAKLZURJCDSF-FOCJUVANSA-N	321.417	3.029	10	20	DGCD	
O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1Sc1ncc(Cl)s1	850002131	UIRLCKUTYRVUBP-IWSPIJDZSA-N	302.852	3.336	10	20	DGCD	
CCC(CC)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856212969	YOJCVUBSFNDJCS-UHFFFAOYSA-N	318.461	3.090	10	20	DGCD	
Cc1cc(C)nc(NCc2ccc(N3CCC(O)CC3)cc2)c1	877114786	BLKDFRUPHYBYJQ-UHFFFAOYSA-N	311.429	3.272	10	20	DGCD	
CCN(C)Cc1cccc(CNCc2cc(F)cc(F)c2O)c1	882981728	RXMRHDBUCDLXNX-UHFFFAOYSA-N	320.383	3.412	10	20	DGCD	
CCN1C(=O)c2ccccc2N[C@H]1c1cc(C)cc(OC)c1O	887324063	QCFXZWXYZDIOLT-QGZVFWFLSA-N	312.369	3.296	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32	926597589	ZUPXRWKYVHHMCD-QIABVPJPSA-N	314.473	3.005	10	20	DGCD	
CC(C)[C@H](O)C(C)(C)CNCc1cc(F)c(N(C)C)cc1F	1118851761	DJJBTCXBESFDIS-INIZCTEOSA-N	314.420	3.164	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@@H]2CCC[C@@H](C)C2)cc1C	1133077257	SGKNSQUMFFUXBA-RHSMWYFYSA-N	318.461	3.036	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@H](F)C3)ccc21	1261452202	WLYYYPOSFRGUOE-JKSUJKDBSA-N	319.424	3.149	10	20	DGCD	
COc1cc(CN2CC[C@@H](CCCO)C2)c(O)c(C(C)(C)C)c1	1261677617	WXEFOISMMUSLPO-CQSZACIVSA-N	321.461	3.293	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C)C2CC2)cc1	1331757895	PUZROZQZZDZZEN-AWEZNQCLSA-N	324.424	3.364	10	20	DGCD	
Cc1ccc(CN[C@@H]2C[C@]3(CCNC3)Oc3ccccc32)c(O)c1	1579696726	BPVYAXKWNSFKGK-XLIONFOSSA-N	324.424	3.046	10	20	DGCD	
O=C(O)c1cccnc1N1CC=C(c2ccc(Cl)nc2)CC1	1595260090	CADUABSXHOGASS-UHFFFAOYSA-N	315.760	3.122	10	20	DGCD	
CCCOc1ccc(CNC2(C(=O)O)CCSCC2)cc1C	1776820083	NXVZPMGDXSSWPS-UHFFFAOYSA-N	323.458	3.224	10	20	DGCD	
CN(C)c1ccc(CNc2cc(C(N)=O)ccc2Cl)cc1	36943056	BLERKUZUOJDEEQ-UHFFFAOYSA-N	303.793	3.117	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2ccccn2)c1O	91701813	WLALYMNPRNDYIK-NSHDSACASA-N	302.349	3.322	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ncc(C)s2)c1	103503274	BTTYHTNNEVLLFQ-SECBINFHSA-N	307.375	3.048	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@@H](C)C2)c1	103512965	MACLEXOCICBACQ-AGIUHOORSA-N	306.406	3.340	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H](C)[C@H]3CCOC3)cc2)CC1	157497760	OGBBHVMRNPCBHD-WMZOPIPTSA-N	302.462	3.438	10	20	DGCD	
COc1cc(CN2CCO[C@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1	164515840	GJXFCEFTUKWARW-QWHCGFSZSA-N	307.434	3.308	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccoc1	165200016	CPVVWOFLSIVHLR-CYBMUJFWSA-N	304.365	3.106	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccncc1	173183855	FMEDNQWVXXLNIE-KRWDZBQOSA-N	312.417	3.098	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C)(O)CC1	177793335	AIOGQDIGDZXKDP-UHFFFAOYSA-N	318.442	3.143	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@@H](C)c1ccc(N(C)CC)cc1	178715035	QHYZOBWHJOTJSM-GJZGRUSLSA-N	305.466	3.098	10	20	DGCD	
C[C@@H](c1ccccc1F)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	180633923	OZXKCLTYDYBWQV-OANVXVOSSA-N	315.344	3.470	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2ccccc2OC)c1	184861466	PKBYEWSTTJIHEA-CYBMUJFWSA-N	301.386	3.303	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccccc2-n2ccnc2)c1	185125311	JRDDYCQNEJDRQG-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(O)c2O)s1	187122941	JOESJNWBEBGEKE-JTQLQIEISA-N	320.414	3.258	10	20	DGCD	
Cc1ccc(F)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	189195656	ROPDQYNDBBFLCT-LLVKDONJSA-N	318.348	3.298	10	20	DGCD	
Cc1ccccc1[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	272368209	DCMYQTDYHJOMPS-MNDMWVCDSA-N	323.392	3.436	10	20	DGCD	
C[C@H](NCc1nccn1C)c1cc(Cl)c(Cl)cc1O	278629042	GRRKBXGQPRLKIN-QMMMGPOBSA-N	300.189	3.283	10	20	DGCD	
CCC(=O)N1CC[C@H](N[C@H](CC)c2cccc(Cl)c2O)C1	287771667	RNLWAGYBGULVSC-SMDDNHRTSA-N	310.825	3.097	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O	293933986	HQSWKCFHILWABN-SJORKVTESA-N	323.820	3.198	10	20	DGCD	
COCc1nc(CN[C@H](C)c2c(C)cc(C)cc2O)cs1	293964312	AGQOUDVUXCZVBH-GFCCVEGCSA-N	306.431	3.463	10	20	DGCD	
CSCc1cnc(CNCc2ccc(N(C)C)cc2)s1	293995187	FSHROTFMSHPQTM-UHFFFAOYSA-N	307.488	3.362	10	20	DGCD	
Cc1cccc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)c1	298834303	BJHHJEFGAHJRGR-UHFFFAOYSA-N	311.429	3.403	10	20	DGCD	
CC1=C(C)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1	382934956	OGTUDVYAGUTNOK-GQCTYLIASA-N	302.330	3.239	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OCCOC[C@H]3CCCO3)cc12	563862158	KSYKQXBCXRTIRI-MRXNPFEDSA-N	303.402	3.370	10	20	DGCD	
CCc1cccc(CNCCCCNC(=O)OC(C)(C)C)c1O	691483054	NJLSFWOKMQTLSG-UHFFFAOYSA-N	322.449	3.349	10	20	DGCD	
CN(C)[C@@H](CNC(=O)c1cc(O)cs1)c1ccccc1Cl	732257026	BPKRCYIALDLRRH-ZDUSSCGKSA-N	324.833	3.140	10	20	DGCD	
CCN(CC(=O)Nc1c(F)cccc1F)c1ccc(OC)cc1	746108948	GHRYHOSSQPLDPJ-UHFFFAOYSA-N	320.339	3.438	10	20	DGCD	
CN(C)c1ccc(CN2CCc3ccc(O)cc3CC2)cc1F	769191804	MKGYXEQCHRAGGL-UHFFFAOYSA-N	314.404	3.198	10	20	DGCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ccc1Cl	784117619	LZPKQQSVLOJWQO-UHFFFAOYSA-N	320.728	3.099	10	20	DGCD	
CCOC(=O)[C@H](CC)N(Cc1cc(Cl)ccc1O)C1CC1	787438561	BWXBRKRXIRMOIP-AWEZNQCLSA-N	311.809	3.352	10	20	DGCD	
C[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1	798420243	MTWBNPOLJQOLCL-NVXWUHKLSA-N	313.445	3.298	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCOC(C)(C)C)c1	802782595	YPHRJXCZHHMCAI-LBPRGKRZSA-N	309.406	3.173	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)OC[C@H]2CCCO2)cc1F	804991111	IHPNFRIBUKQQKO-CQSZACIVSA-N	324.396	3.077	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCc2cccc(C(N)=O)c2)c1O	808674739	XNHJUXLDUJFDQF-NSHDSACASA-N	318.804	3.304	10	20	DGCD	
CCCN(CCN1CCCCC1)Cc1c(O)cccc1OC	809704907	ILZUMIFTOQCAOF-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
CCOc1ccc(CN2CCCC[C@H]2c2nc(C)no2)c(O)c1	809718651	MMCMBYJVVGXWCC-HNNXBMFYSA-N	317.389	3.210	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cnn(CC(F)F)c1	816614569	ZEKHVVBXCBSRRY-UHFFFAOYSA-N	321.371	3.500	10	20	DGCD	
COc1ccccc1[C@@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817937986	AWYGRBUSDANTDC-RDTXWAMCSA-N	313.445	3.112	10	20	DGCD	
O=C(O)[C@@H]1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1	819161746	KDLXTJRWOLOCEE-XCBNKYQSSA-N	304.173	3.042	10	20	DGCD	
CO[C@H](C)CNC(=O)N(Cc1ccccc1O)C1CCCCC1	821718268	LEIAKHDCQMTLDF-CQSZACIVSA-N	320.433	3.271	10	20	DGCD	
C[C@@H]1[C@H](O)CCN1Cc1ccc(N(C)Cc2cccs2)cc1	825103829	IROPUHJVNSUYFZ-RDTXWAMCSA-N	316.470	3.340	10	20	DGCD	
CO[C@@H](CNCc1ccc(Br)cc1O)C(C)(C)C	825320860	PDHPUTSZZWCBHV-ZDUSSCGKSA-N	316.239	3.305	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@@H]([C@@H]2CCCCO2)C1	827377064	OOTWAYUAZDXYFA-PBHICJAKSA-N	305.418	3.182	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CNCc2ccccc21	828147644	HOMHXMVFCNXWAF-GOSISDBHSA-N	324.424	3.018	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1	831959922	BZZWVNIDSXJYCJ-MAUKXSAKSA-N	312.388	3.403	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCC1	837348240	CYCFHJFOYLEYGE-CQSZACIVSA-N	318.486	3.292	10	20	DGCD	
Cc1cc(NCc2cc(F)ccc2O)ccc1OCCN(C)C	839183423	AATRAJDECQCAIF-UHFFFAOYSA-N	318.392	3.392	10	20	DGCD	
CC(C)OCC(C)(C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	840355185	YGYBRJPDMHCSIP-AWEZNQCLSA-N	321.465	3.316	10	20	DGCD	
C[C@H](N[C@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)cc1	840854859	HCVBOPBCJQBEMF-IJEWVQPXSA-N	306.475	3.068	10	20	DGCD	
CSCCCCCNC(=O)NCc1cc(Cl)ccc1O	845126672	CZNWCIMUYOXQIM-UHFFFAOYSA-N	316.854	3.378	10	20	DGCD	
COc1cccc([C@H](C)NCc2cc(F)cnc2Cl)c1O	846168707	CTEHIQOZGTUTNW-VIFPVBQESA-N	310.756	3.439	10	20	DGCD	
CCCCn1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C	846474728	BBZYESXTXVACDQ-UHFFFAOYSA-N	321.808	3.281	10	20	DGCD	
CCc1cccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1O	848898606	FLDRIXRGRKSTJO-CGTJXYLNSA-N	301.430	3.392	10	20	DGCD	
CCc1cccc(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)c1O	848900971	SNXOXRBQJOIIHR-FMKPAKJESA-N	309.500	3.424	10	20	DGCD	
CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1ccc(N2CCOCC2)cc1	850427300	RKDKIEMKCVUTSI-QYZOEREBSA-N	314.473	3.438	10	20	DGCD	
CCC(C)(CC)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856212098	GTEJZNVRYHLIAH-UHFFFAOYSA-N	318.461	3.090	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@H]2C)cc1	859728083	UUSXALCWCWCVLS-CQSZACIVSA-N	324.424	3.460	10	20	DGCD	
c1cnc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCC2	866241172	XTWGVLWDVMRLGT-FQEVSTJZSA-N	323.440	3.085	10	20	DGCD	
COc1cc(C)cc(CNc2cnn([C@H](C)C3CC3)c2)c1O	894493821	DQEMWEDTOXYVOC-GFCCVEGCSA-N	301.390	3.489	10	20	DGCD	
CCCC[C@@H](CC)C(=O)N(CC(=O)O)Cc1ccccc1O	911483762	DETHKRMXWRCSRE-CYBMUJFWSA-N	307.390	3.022	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCC(=O)c2ccccc2)c1	913000140	DBNLYGGVGOGGQX-UHFFFAOYSA-N	311.381	3.370	10	20	DGCD	
c1ccc([C@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)nc1	922585705	NTRDAIWANAYFKS-HXUWFJFHSA-N	323.440	3.159	10	20	DGCD	
C=C/C(C)=C/CC(=O)NCCCNCc1ccc(OC)c(C)c1	1164116744	QKFOUZFOPLKGSL-VIZOYTHASA-N	316.445	3.122	10	20	DGCD	
CC[C@@H](C)CCC(=O)NCCCNCc1ccc(OC)c(C)c1	1168961436	JYYVNAWYBKGZFW-OAHLLOKOSA-N	320.477	3.426	10	20	DGCD	
CCN1CCC(N(C)Cc2ccc(N3CCCC3)cc2)CC1	1169258571	MSAHHXDJMQTBHP-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)OC2CCCCC2)c1	1339096026	XFILQBFMDWOOBT-OLZOCXBDSA-N	321.417	3.316	10	20	DGCD	
CC(C)(CC(=O)NCc1cccc(O)c1O)c1ccc(F)cc1	1520510492	YHHTYQCEUMJJFH-UHFFFAOYSA-N	317.360	3.221	10	20	DGCD	
C/C(=C\c1cccnc1)C(=O)N1CCCc2ccc(C(=O)O)cc21	1589007139	ZNUSHZYDMXCPGY-JLHYYAGUSA-N	322.364	3.163	10	20	DGCD	
C[C@@H](NCc1ccc(Cl)c(C(=O)O)n1)c1c(O)cccc1F	1593299772	VRNYQCPPYJPQFN-MRVPVSSYSA-N	324.739	3.129	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc(NC(=O)C2CC2)cc1	1608039245	PUJDWSXMWVVHSK-UHFFFAOYSA-N	315.325	3.214	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2c(F)cccc2Cl)c1	176810641	QMJHKPTWSHMCAV-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cccc(Cl)n2)cc1	176396192	WLDWCZDUBCRSDY-UHFFFAOYSA-N	304.781	3.123	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCCc1nc2ccccc2[nH]1	53916153	ZMPXDMSTXUMBLI-UHFFFAOYSA-N	323.396	3.250	10	20	DGCD	
CN(Cc1cnn(-c2ccccc2)c1)Cc1cc(F)ccc1O	179891006	NBPCMBHGGZVHHV-UHFFFAOYSA-N	311.360	3.349	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccc(O)c1	69215400	JZTOQRSCCZHGLA-ZDUSSCGKSA-N	313.401	3.019	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2cccc(C(N)=O)c2)cc1	122219339	QDQLPGOBHSUOJT-AWEZNQCLSA-N	311.429	3.092	10	20	DGCD	
COC[C@H](N[C@H](C)c1ccc(Br)cc1O)C1CC1	186154063	UVYCIOVJXFCQDH-RNCFNFMXSA-N	314.223	3.230	10	20	DGCD	
CC(C)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)no1	120348117	UTZKLGJPUCTAPV-UHFFFAOYSA-N	301.390	3.136	10	20	DGCD	
COc1ccc(N(CCC2OCCO2)Cc2ccco2)cc1F	125009695	WAGONVCCZOPTRH-UHFFFAOYSA-N	321.348	3.197	10	20	DGCD	
CC1(C)CC[C@@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)O1	184669569	JSVVYAQRKGQHRZ-IRXDYDNUSA-N	319.445	3.331	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccccc1	183484504	IUEAQCVDRCIOBD-ZDUSSCGKSA-N	313.397	3.123	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCc1nnc2ccccn12	323914137	GSRFIUGLPJUKOG-UONOGXRCSA-N	322.412	3.124	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2CCOc3cccc(F)c32)s1	255474201	YWCJBYJWZVOBSU-WAYWQWQTSA-N	304.346	3.029	10	20	DGCD	
COc1ccc(N2CCC(NCC[C@H]3CCCCO3)CC2)cc1	359903725	VJWILCOZRULWNK-LJQANCHMSA-N	318.461	3.213	10	20	DGCD	
Cc1noc(C2(C)CCN(Cc3cccc(Cl)c3O)CC2)n1	374738760	WIQALUTZAVAIHY-UHFFFAOYSA-N	321.808	3.291	10	20	DGCD	
Nc1ccc(CC(=O)N2CCCCC[C@H]2c2ccncc2)cc1	286071783	MIBJFHPOMUASRY-SFHVURJKSA-N	309.413	3.350	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)c1ccccc1	288547151	LFUYYPRMTYRPCV-SCLBCKFNSA-N	302.393	3.103	10	20	DGCD	
CCCCN(C)C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	808733339	UVGCPXRGMUKAOK-QWHCGFSZSA-N	309.410	3.071	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC=CO1	802302937	WLQDRUBNKKMPMW-INIZCTEOSA-N	318.417	3.397	10	20	DGCD	
COc1cc(Br)cc(CN[C@H]2CCC2(C)C)c1O	808421331	CBHLPFOEQGJTQE-LBPRGKRZSA-N	314.223	3.442	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)C23CCCC3)c1O	292572965	BVZUZFXFXXQTOG-HNNXBMFYSA-N	323.820	3.128	10	20	DGCD	
CC(C)C[C@H](O)CN[C@H](C)c1cccc(C(F)(F)F)c1O	815572256	YLFYJAMSPZONJC-MNOVXSKESA-N	305.340	3.469	10	20	DGCD	
CC1(C)CCCC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	819168619	SFSKMDADBDTLIQ-HNNXBMFYSA-N	316.401	3.125	10	20	DGCD	
COC[C@@H](NCCc1ccc(N)cc1)c1ccc(Cl)cc1	817957501	MLCXWSYVQNFWTL-QGZVFWFLSA-N	304.821	3.442	10	20	DGCD	
C[C@H](NCC1(C)CCNCC1)c1cc2c(cc1O)CCCC2	817965392	TULLQYZTONAHLP-AWEZNQCLSA-N	302.462	3.311	10	20	DGCD	
Cn1cc([C@@H](NCc2cccc(Cl)c2O)C(F)(F)F)cn1	813331261	GYGRVFANEULNPA-GFCCVEGCSA-N	319.714	3.172	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1F	811518805	PDRVANVDLKJNCF-MSOLQXFVSA-N	318.436	3.425	10	20	DGCD	
CCCC[C@@H](COC)NC[C@H]1CCN(c2ccc(OC)cc2)C1	818342161	MTAYWQIAAUKFRG-SJORKVTESA-N	320.477	3.316	10	20	DGCD	
CC[C@H](NC[C@H]1CCN1C)c1ccc(Cl)c(Cl)c1O	903316242	BSXMSOUKWGREEP-SKDRFNHKSA-N	303.233	3.444	10	20	DGCD	
CCO[C@@H]1CCC[C@H]1NCc1cc(Br)ccc1O	825284621	TVAUBLWCXPRZQI-TZMCWYRMSA-N	314.223	3.202	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](C)Cn2ccnc2C)cc1Cl	825089575	FUCBCWYPQMOPOP-LLVKDONJSA-N	307.825	3.285	10	20	DGCD	
Cc1cc(N(C)C)nc(NCc2c(C)c3ccccc3n2C)n1	490016727	ZGDYNALEKPWRLY-UHFFFAOYSA-N	309.417	3.263	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CSC1CC1	839921603	GIGSOXLPENAQMM-ZDUSSCGKSA-N	306.475	3.004	10	20	DGCD	
COc1ccc2c(c1)CCCN2C(=O)/C=C/c1cnc(C)s1	732730016	HHQFUSGKOJEWSB-SOFGYWHQSA-N	314.410	3.453	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccc(OC)cc1O)C1CCCC1	836643636	GTLONSSFTCPWPY-HNNXBMFYSA-N	306.406	3.169	10	20	DGCD	
C[C@H]1c2ccccc2CCN1C(=O)NCCc1ccc(N)cc1	841957299	RJSXCXFSICNCQH-AWEZNQCLSA-N	309.413	3.140	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](C)Cc2ccc(O)cc2)c1O	846147225	UWOSZLRVQXSGGL-CHWSQXEVSA-N	301.386	3.388	10	20	DGCD	
CC[C@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O	846204993	DLAOZFHNUAIMKF-NHYWBVRUSA-N	322.836	3.097	10	20	DGCD	
CCCCOc1ncccc1CNC(=O)Nc1ccc(N)cc1	841301722	XFQPMMLKXTZCIF-UHFFFAOYSA-N	314.389	3.164	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CO[C@@H](C)C1	844104073	CNAHQYNAVGXZEU-STQMWFEESA-N	304.415	3.063	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(CN)cc2F)c2c(O)ccc(F)c21	844923742	JRXYCQUFQDCRJQ-MEBBXXQBSA-N	318.367	3.467	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc3c(c2)OCO3)c1	756795248	JZHANXSZFRGRNS-SNVBAGLBSA-N	315.325	3.081	10	20	DGCD	
CCOc1ccc(CN2CCCC[C@@H]2c2noc(C)n2)c(O)c1	768962786	JOKKXNNNUAVCPU-OAHLLOKOSA-N	317.389	3.210	10	20	DGCD	
CCOc1ccc(CNC(=O)NCc2cc(C)ccc2O)cc1	875151658	IPPGJUFFXOXGOI-UHFFFAOYSA-N	314.385	3.099	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H]2CCN(C)C[C@H]2C)cc1	777469900	PHYQCCFWWSNBLX-APWZRJJASA-N	303.494	3.305	10	20	DGCD	
c1ccc2c(c1)CC(CNCc1ccc(N3CCOCC3)cc1)C2	776175645	WBXMWTRTWWTYMQ-UHFFFAOYSA-N	322.452	3.028	10	20	DGCD	
CCOc1ccc(CNc2nnc(CC(C)(C)C)o2)c(O)c1	777516320	WQKUCGNPEPTCAZ-UHFFFAOYSA-N	305.378	3.375	10	20	DGCD	
CCOC1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	773631828	YKGAFXVFUMFWKU-CQSZACIVSA-N	319.449	3.024	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2CC(C)(C)C2)c1	780873615	OUILSMILKGFQBO-NSHDSACASA-N	306.406	3.197	10	20	DGCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CCC(F)(F)C3)ccc21	795056552	QPNDAXJRKFFBAK-CQSZACIVSA-N	308.372	3.121	10	20	DGCD	
C[C@H]1COCC[C@@H]1CNCc1ccc(N2CCCCC2)cc1	796498809	YDGGZXFYOMRKQJ-FUHWJXTLSA-N	302.462	3.439	10	20	DGCD	
COc1cccc(O)c1CNC1CCC2(CCOCC2)CC1	1319838154	ZJLYIYUAZBNIHX-UHFFFAOYSA-N	305.418	3.230	10	20	DGCD	
C[C@H]1CCCN(C(=O)CCN[C@@H](C)c2ccc(N(C)C)cc2)C1	1319849241	PRCPFQKJBCLYMK-HOTGVXAUSA-N	317.477	3.052	10	20	DGCD	
CC(C)(C)OC(=O)N1CC[C@@](C)(NCc2cc(F)ccc2O)C1	701874554	ATTZXXRONQSAHO-QGZVFWFLSA-N	324.396	3.020	10	20	DGCD	
CC[C@H]1[C@H](C)CCN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1320422153	BPIVKUYZBMAGMG-QAPCUYQASA-N	319.468	3.198	10	20	DGCD	
Cc1cc(F)cc(NCc2ccc(N3CCOCC3)c(F)c2)n1	1262679121	BRMSFYMDTDHTHQ-UHFFFAOYSA-N	319.355	3.117	10	20	DGCD	
C[C@H](NCCc1cccc(F)c1F)c1cc(C(=O)O)ccc1O	1609776638	BSPDMAPTSHEJLO-JTQLQIEISA-N	321.323	3.262	10	20	DGCD	
CCCCN(Cc1cc(C(=O)O)co1)Cc1ccccc1O	1595749333	YKVXCYJBMIGLFV-UHFFFAOYSA-N	303.358	3.486	10	20	DGCD	
Cc1cc(CNC2(C(=O)O)CCCC2)ccc1N1CCCCC1	1594304436	MVTWGLSJGPOFGA-UHFFFAOYSA-N	316.445	3.472	10	20	DGCD	
C[C@H]1CCC[C@](NCc2c(O)ccc(Cl)c2F)(C(=O)O)C1	1776634737	CFBHWCMAQNZSHU-BJOHPYRUSA-N	315.772	3.308	10	20	DGCD	
Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N(C)C)cc2)cc1	15134778	ZFQAPGPUXMIDDA-OAHLLOKOSA-N	312.413	3.145	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1	157401423	FGQMGOULZPCFIB-UHFFFAOYSA-N	312.388	3.357	10	20	DGCD	
CC(C)OCCCCNCc1cc(Br)ccc1O	228565482	XQJBWHCQWJMRDG-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H](NC(=O)OC(C)(C)C)C1CC1	877162557	IOVIOOGGXTWFDP-OAHLLOKOSA-N	320.433	3.094	10	20	DGCD	
CC[C@H](NC[C@H]1CCOC1)c1cc(Br)ccc1O	37738209	GNGSDYJBOOZQMV-MFKMUULPSA-N	314.223	3.232	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2cccc3ccccc23)c1	114544218	DORHMYHKUVXYDM-UHFFFAOYSA-N	321.376	3.413	10	20	DGCD	
COc1ccc(C(C)(C)C(=O)N(C)Cc2ccccc2O)cc1	120772537	QZFVFSLQAQZRQY-UHFFFAOYSA-N	313.397	3.337	10	20	DGCD	
CCCN(Cc1noc(C(C)(C)C)n1)Cc1ccccc1O	130731489	SHKGOZRRFPRCPU-UHFFFAOYSA-N	303.406	3.485	10	20	DGCD	
O=C1Nc2ccc(F)cc2/C1=C\c1ccc(N2CCOCC2)cc1	131220690	SQNFVEJULQSIHN-GZTJUZNOSA-N	324.355	3.155	10	20	DGCD	
COc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(OC)c1	155184011	VPUUHAQBDJLPTC-UHFFFAOYSA-N	314.429	3.402	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H](C)c2nc[nH]n2)c1	174558229	QMBBAYCZIFRRLT-CQSZACIVSA-N	323.400	3.012	10	20	DGCD	
Cc1c(NC(=O)c2sccc2-n2c(C)ccc2C)cnn1C	177256691	VDDYBYQEGPGLNE-UHFFFAOYSA-N	314.414	3.450	10	20	DGCD	
CC(C)C[C@@H](CO)N[C@@H](C)c1ccc(Br)cc1O	185114326	WRIHNFFBDLEBPR-JQWIXIFHSA-N	316.239	3.212	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@](C)(O)c2cccs2)c1	185518712	TXMHIYXEHQYBGQ-ZBEGNZNMSA-N	307.415	3.021	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@@H](C)c1cc(C)ccc1O	186176804	FVOLDSFYPYOHDK-ZDUSSCGKSA-N	301.434	3.410	10	20	DGCD	
CCOc1ccc(NC(=S)NCc2cc(C)ccn2)cc1	240627901	ADPLUXFVCOBZMF-UHFFFAOYSA-N	301.415	3.275	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1	262359850	WFZXGJOHMWGKFC-UONOGXRCSA-N	314.351	3.296	10	20	DGCD	
CCS[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1	267356732	RYJZPGCJKVTTPZ-UONOGXRCSA-N	308.447	3.256	10	20	DGCD	
COC[C@@H](CCO)N[C@@H](C)c1ccc(N2CCCCCC2)cc1	269011032	MSUJEINPFGLYLH-FUHWJXTLSA-N	320.477	3.115	10	20	DGCD	
CC[C@H](NC1CCC(C(=O)NC)CC1)c1ccc(N(C)C)cc1	269061960	XZDHEEWSMKBYAK-HTWSVDAQSA-N	317.477	3.098	10	20	DGCD	
C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1O	273354340	CGBFDVBDPHJAHL-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2ccccc2)c1O	278917833	ULQKVFKAKGWORG-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(Br)ccc2O)[C@H](C)C1	282371598	QHTDCJBPYCYUML-ZWNOBZJWSA-N	314.223	3.154	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1cnn(C)n1)Cc1ccccc1O	289411120	UZPSUMQZEIMDBL-HNNXBMFYSA-N	322.412	3.284	10	20	DGCD	
C[C@H]1C[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC[C@H]1C	295714627	KKJXBRUUJZBCBG-QVHKTLOISA-N	305.418	3.217	10	20	DGCD	
c1csc(Sc2ccc3nnc(-c4ccsc4)n3n2)n1	302277375	ICFBGKYTUTWTLD-UHFFFAOYSA-N	317.424	3.461	10	20	DGCD	
NC(=O)c1ccc(F)c(NCc2ccc(N3CCCC3)cc2)c1	319657456	FFJJXQCFKRQWLV-UHFFFAOYSA-N	313.376	3.137	10	20	DGCD	
Cc1c(CNC(=O)c2ccc3cc[nH]c3n2)n(C)c2ccccc12	352124601	YNMUMTODDNPHNY-UHFFFAOYSA-N	318.380	3.293	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3CCO[C@@H](C)C3)CC2)cc1	360059573	PQSWRTAUFULZML-JKSUJKDBSA-N	318.461	3.069	10	20	DGCD	
CC[C@@H](N[C@H]1CCc2nc(C)ncc2C1)c1ccc(N(C)C)cc1	370670818	HRHMBYIJZCFJKX-PKOBYXMFSA-N	324.472	3.449	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1O2	386963603	KNDXXJIRUMAKIA-KLIQENQMSA-N	300.446	3.332	10	20	DGCD	
Cc1ccc(N(C)C(=O)/C=C/c2cnc(C(C)(C)C)s2)nn1	493755442	MYLGEJQSUGVSLN-VQHVLOKHSA-N	316.430	3.215	10	20	DGCD	
CCOC1CCN(Cc2ccc(Br)cc2O)CC1	701171902	DTMNPBIZYQKXDE-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2c[nH]cc2C)cc1F	731345977	OPZHQJIQUQXYFK-UHFFFAOYSA-N	303.381	3.238	10	20	DGCD	
O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(O)cs1	732276933	WYWGROKRXWWGLC-UKRRQHHQSA-N	321.373	3.243	10	20	DGCD	
Cc1cc(O)c(CN2CCSC[C@H]2CC(=O)O)cc1C(C)C	738464053	YWWMJCIBEUWZBQ-CQSZACIVSA-N	323.458	3.216	10	20	DGCD	
C[C@@H]1CCN(CCNCc2cc(Cl)cc(Cl)c2O)C1	744449909	HWGCLENUXCLPMD-SNVBAGLBSA-N	303.233	3.130	10	20	DGCD	
C[C@@H](NC[C@H](O)CCc1ccccc1)c1ccc(N(C)C)cc1	753762626	JNNDYRCMXINBJT-OXQOHEQNSA-N	312.457	3.397	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccccc2F)c1	756354387	AAAFUPAPIWEXSP-NSHDSACASA-N	303.333	3.169	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cccc(F)c2)c1	756382465	DBNBFRYJTMEMSP-NSHDSACASA-N	303.333	3.169	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c1	756708073	MMTXIWYJQSJXSF-CYBMUJFWSA-N	316.357	3.338	10	20	DGCD	
CC[C@@]1(C)CCN(C(=O)NCCCSc2nccs2)C1	759591079	UOHXDODYQCYHCB-AWEZNQCLSA-N	313.492	3.457	10	20	DGCD	
CCOc1ccc(CN(CCOC)Cc2ccco2)c(O)c1	768586150	IYDZWZUITFVFOD-UHFFFAOYSA-N	305.374	3.033	10	20	DGCD	
CN(Cc1cccc(O)c1)Cc1cccc(Br)c1O	771934580	AXXUFPOOPBJVNB-UHFFFAOYSA-N	322.202	3.492	10	20	DGCD	
Cc1nc(CCNCc2c(O)ccc(Cl)c2F)cs1	790950245	NQRMWPHCJLEYJS-UHFFFAOYSA-N	300.786	3.282	10	20	DGCD	
CCN(C)c1ccc(CNCc2ccc(N(C)C)cc2C)cn1	790964848	OJJDZKLPCSIGCW-UHFFFAOYSA-N	312.461	3.202	10	20	DGCD	
CCOC(=O)c1c(NC(=O)CCC(C)=O)sc2c1CCCC2	791020304	MWSSUURCJOQWLK-UHFFFAOYSA-N	323.414	3.111	10	20	DGCD	
COc1ccc(N(CCC(C)C)CCn2ccccc2=O)cc1	796503698	IBWZIDWIVPJHTN-UHFFFAOYSA-N	314.429	3.410	10	20	DGCD	
CC[C@H](N[C@H](C)CC(N)=O)c1cc(Cl)cc(Cl)c1O	806142817	GBZCKEKJYIQFDQ-HQJQHLMTSA-N	305.205	3.004	10	20	DGCD	
CC(=O)C(=O)COC(=O)Cc1coc2cc(C)c(C(C)C)cc12	808489047	ANJNRIRYOYZJRK-UHFFFAOYSA-N	316.353	3.108	10	20	DGCD	
CCN(C)c1ccc(CN(CCOC)Cc2ccccn2)cc1	815117886	IEZKJAFVOBUWJY-UHFFFAOYSA-N	313.445	3.186	10	20	DGCD	
CCCN1C[C@H](CN[C@H](CC)c2cccc(Cl)c2O)CC1=O	817588998	KQIBZEQHIDCJEZ-SWLSCSKDSA-N	324.852	3.345	10	20	DGCD	
C[C@H](CCCN)N[C@H](C)c1cc(Br)c(F)cc1O	817977933	RSJUTCAHTCRBAE-RKDXNWHRSA-N	319.218	3.072	10	20	DGCD	
O=C(O[C@@H](C(=O)C1CC1)c1ccccc1)c1cc(O)cs1	820362936	JFKDSZXHZMUPFC-OAHLLOKOSA-N	302.351	3.331	10	20	DGCD	
CCOCc1cc(CNCC(C)(C)C(C)(C)O)ccc1OC	825201266	JILWQPCZONJMAH-UHFFFAOYSA-N	309.450	3.118	10	20	DGCD	
Cc1cc(CN2CC[C@H]([C@@H](C)O)C2)ccc1N1CCCCC1	828755374	MTLCKXBVQHLDIB-AEFFLSMTSA-N	302.462	3.188	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)ccn1	834860944	VYYFDTKWRUIDME-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
CN(C)c1ccc(/C=C\CN[C@H](Cc2ccccc2)C(=O)O)cc1	840995945	XCMWEVWULYJASG-WMHRWZGDSA-N	324.424	3.051	10	20	DGCD	
CC(C)CC[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841961039	ZNWRVQTVVASPAC-QGZVFWFLSA-N	303.450	3.422	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2csc(C)n2)cc1	844398749	BJPJILHUGKNABW-UHFFFAOYSA-N	305.447	3.028	10	20	DGCD	
CCO[C@H](C)c1noc(CN(C)Cc2cccc(CC)c2O)n1	848888773	BOHMUEAPGLKLMH-GFCCVEGCSA-N	319.405	3.067	10	20	DGCD	
COc1ccc(N(Cc2cccs2)C[C@H]2CCC(=O)O2)cc1	851835994	KOZUSAOPDFYIRP-OAHLLOKOSA-N	317.410	3.469	10	20	DGCD	
CC[C@H]1CCCCN1CCNC(=O)N[C@H](C)c1ccccc1O	868249034	IJHRRSHCKNNHLV-CABCVRRESA-N	319.449	3.017	10	20	DGCD	
CC1(C)N[C@H](c2cc(Cl)ccc2O)N(c2ccccc2)C1=O	877857562	UOSLVARPIFVYAY-HNNXBMFYSA-N	316.788	3.459	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H](O)c1ccc(F)cc1)c1c(O)cccc1F	886527920	CKVZNDYHOKNKRC-PSVSLLHZSA-N	307.340	3.443	10	20	DGCD	
CN(C)c1ccc([C@H](CNC(=O)CCCC2CC2)N(C)C)cc1	891247275	HWCWKLACJCXFTA-SFHVURJKSA-N	317.477	3.052	10	20	DGCD	
COc1ccc(CN(C)[C@H](C)c2cccc(O)c2)c(O)c1OC	892009681	NMKLDQPPNKDBKV-GFCCVEGCSA-N	317.385	3.308	10	20	DGCD	
CCNC(=O)c1ccc(NCc2cc(C)cc(OC)c2O)cc1	895089088	QLWAECXJNUWELV-UHFFFAOYSA-N	314.385	3.071	10	20	DGCD	
O[C@@H](CNCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1	1252860096	PQNXFVYGZJYFSG-IBGZPJMESA-N	314.404	3.249	10	20	DGCD	
Cc1ccc(C[C@H](CO)NCc2ccc(N3CCCC3)cc2)cc1	1320607890	MGDUJAYHLZPFKZ-HXUWFJFHSA-N	324.468	3.288	10	20	DGCD	
CCC1(CO)CCN(Cc2ccc(N3CCCC3)cc2)CC1	1323324429	VIIULCIBAHBLRP-UHFFFAOYSA-N	302.462	3.271	10	20	DGCD	
CC(C)n1ncc2c1[C@@H](NC(=O)Nc1ccc(N)cc1)CCC2	1326087885	FLRVDFJSGQNXRF-HNNXBMFYSA-N	313.405	3.245	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCSC(C)(C)C1	1356278724	RDKXWJTWRRYFJL-UHFFFAOYSA-N	324.475	3.064	10	20	DGCD	
Cc1cc(O)c(CNCCc2ccccc2C(=O)O)c(Cl)c1	1600286651	USVPLAYAHJHJGQ-UHFFFAOYSA-N	319.788	3.385	10	20	DGCD	
CC(C)[C@H](C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	67902071	ZEDBSBQJKMAGKI-MRXNPFEDSA-N	318.461	3.164	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1O	186137015	ROJDQMRYXHRTCR-DETPVDSQSA-N	311.422	3.237	10	20	DGCD	
C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	182509948	GGURDXXTBICTNC-CQSZACIVSA-N	313.397	3.373	10	20	DGCD	
COc1ccc(CNCC[C@H](C)NC(=O)OC(C)(C)C)cc1C	222084131	XUVJTMGAYUNATF-AWEZNQCLSA-N	322.449	3.397	10	20	DGCD	
OC[C@H](Cc1ccccc1)NCc1ccc(N2CCCCC2)cc1	131557781	AQVYNBTVGFUXPG-FQEVSTJZSA-N	324.468	3.370	10	20	DGCD	
C1=CO[C@H](CNCc2ccc(N3CCSCC3)cc2)CC1	194228913	KQTXNAKMLPSSOJ-KRWDZBQOSA-N	304.459	3.022	10	20	DGCD	
COc1ccc(N2CCN(C/C(Cl)=C\Cl)CC2)cc1	254989808	KTTWERRICXQGFX-ZRDIBKRKSA-N	301.217	3.136	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC12CCC(CC1)C2	369919559	LXSBDHCBILWIRO-UHFFFAOYSA-N	313.445	3.419	10	20	DGCD	
COc1cccc(CNC(=O)C(C2CCC2)C2CCC2)c1O	286732801	JYWBOJUCEZJSKX-UHFFFAOYSA-N	303.402	3.233	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CNCc1cnc2n1CCCC2	370263248	VZRAQMVWRJJAEA-UHFFFAOYSA-N	324.472	3.500	10	20	DGCD	
COCC(C)(C)CCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	287257476	ZXQICRBHBMZOAE-ZDUSSCGKSA-N	323.433	3.282	10	20	DGCD	
CC[C@@H](NC[C@@](C)(O)C(F)(F)F)c1cccc(Cl)c1O	287755859	QOMACJDKSGVESW-ZYHUDNBSSA-N	311.731	3.400	10	20	DGCD	
CCCCN(Cc1ccccc1O)C[C@@H]1CC2(CCC2)C(=O)O1	282386006	GIVYFBGWTSNLFZ-INIZCTEOSA-N	317.429	3.480	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@@H](n3cc(C)cn3)C2)c1O	290913340	NEMFXVNZGKKPKX-CQSZACIVSA-N	321.808	3.006	10	20	DGCD	
CN1CC[C@H]2[C@@H](CCCN2Cc2c(O)ccc(Cl)c2F)C1	809767490	MTDJHSJZKAGEMF-FZMZJTMJSA-N	312.816	3.101	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]1C(=O)NC)c1cccc(Cl)c1O	806150153	MHIZBAIZENNQKA-KWCYVHTRSA-N	310.825	3.001	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cn(CC)cn2)cc1	819975238	ZVNIMUDDLONONO-UHFFFAOYSA-N	314.433	3.021	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCc2cn3c(n2)CCCC3)c(O)c1	815558409	BVZWVCUVFUOMEC-OAHLLOKOSA-N	313.445	3.435	10	20	DGCD	
CCC(CC)(CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)OC	813717851	AJKSCRLHVJIJEL-CQSZACIVSA-N	321.465	3.318	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC[C@@H](O)c1ccccc1	819373084	AZELOEUXZWBFLE-OXQOHEQNSA-N	312.457	3.315	10	20	DGCD	
CO[C@@H]1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	814415582	WNGBWSOTMJJXRC-JLJPHGGASA-N	304.434	3.135	10	20	DGCD	
CCCCS[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	729277628	FTQUKJLYDYTAIO-VXGBXAGGSA-N	311.447	3.500	10	20	DGCD	
Cc1c(C(=O)N[C@H](C)c2ccccc2O)oc2c1C(=O)CCC2	827923526	UKNQIPGGZKXBJC-LLVKDONJSA-N	313.353	3.304	10	20	DGCD	
CSc1cccc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1	588406204	LYXVMQJEPAYKER-CLFYSBASSA-N	315.394	3.496	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCS[C@H]1C	828541433	IBOJLCDINJTQOZ-GXTWGEPZSA-N	308.447	3.208	10	20	DGCD	
CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1cc(Cl)c(Cl)cc1O	903296805	NNBHDDNLINBNJC-REAQECSSSA-N	320.216	3.154	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)CSC)cc1	736405584	OVSJEUURTFATPC-AWEZNQCLSA-N	323.506	3.426	10	20	DGCD	
CN(C)c1ccc(CN(CCC(=O)OC(C)(C)C)C2CC2)cc1	919806705	CTRKIQHWOVADSO-UHFFFAOYSA-N	318.461	3.449	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ccsc1C(=O)O	832494003	YDRWGGCPPCZJLV-UHFFFAOYSA-N	303.383	3.408	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](C)N2CCC(C)CC2)c1O	846142739	VUCSIPPKGYJTJS-CABCVRRESA-N	306.450	3.172	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(C)Cc1nccn1C(F)F	840909648	GBSCSRJEIYRCPG-UHFFFAOYSA-N	308.376	3.285	10	20	DGCD	
COc1ccccc1CC(C)(C)NC(=O)c1cc(O)cs1	846654061	CZYBQSTTXBTMJX-UHFFFAOYSA-N	305.399	3.213	10	20	DGCD	
O=C(O)[C@H](CC1CCC1)NCc1ccc(N2CCCCC2)cc1	841818932	UBSSHWMINMQJFV-SFHVURJKSA-N	316.445	3.410	10	20	DGCD	
CC(C)(CNC(=O)NCCc1ccc(N)cc1)c1cccs1	841818778	CAKBRUNZSJPWDM-UHFFFAOYSA-N	317.458	3.150	10	20	DGCD	
CC[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1O	848566249	SFFAQBSMZAUJMB-NJAFHUGGSA-N	301.361	3.230	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](OC(=O)N(C)C)C2)cc1C(C)C	840106377	UCCBGAHUXLQLCJ-HNNXBMFYSA-N	320.433	3.097	10	20	DGCD	
CN(C)c1ccc(CN2CCC([C@@H]3CCCNC3)CC2)cc1F	849349534	CDHXNRYSFGLNTF-QGZVFWFLSA-N	319.468	3.103	10	20	DGCD	
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1	841301406	NYKIPSDVMQPWHV-KBXCAEBGSA-N	324.428	3.226	10	20	DGCD	
CSc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1	743259589	FRDSOYFZNHIYKB-UHFFFAOYSA-N	309.412	3.223	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](C)N2CCCC[C@H]2C)c1O	846139867	VYEYPRYOEJJXGZ-KFWWJZLASA-N	306.450	3.314	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@H]([C@@H]2CCNC2)C1	843124624	DQDSIGPUJYVFNU-NEPJUHHUSA-N	312.816	3.006	10	20	DGCD	
CN(Cc1cn[nH]c1)Cc1ccc(OCc2ccccc2)cc1O	753547292	NCJKTAMROODHKQ-UHFFFAOYSA-N	323.396	3.326	10	20	DGCD	
CC(C)[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	929531659	HTDWHYWEGMFINF-FUHWJXTLSA-N	318.461	3.162	10	20	DGCD	
C[C@@H](NCCN1CCc2ccccc21)c1cc(F)ccc1O	756484425	XIWKKFGACXCRHJ-CYBMUJFWSA-N	300.377	3.245	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)o1	756603432	BPDNXAOWSRYLME-MRCXROJRSA-N	305.349	3.304	10	20	DGCD	
COCCN(Cc1cccs1)Cc1c(O)cccc1OC	768196495	DMZCMHNUUZHNKB-UHFFFAOYSA-N	307.415	3.111	10	20	DGCD	
CCOc1ccc(CN[C@H]2CCOC3(CCCC3)C2)c(O)c1	767927125	ORZQPXCFPLKZLX-HNNXBMFYSA-N	305.418	3.372	10	20	DGCD	
Cc1ccccc1[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	935310114	IGOGGGXXUCVQSP-ZIAGYGMSSA-N	313.397	3.257	10	20	DGCD	
CC[C@H](C)[C@@H]1CCCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768444546	CNFFTPZZKHGOHG-NUTKFTJISA-N	305.418	3.219	10	20	DGCD	
Cc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1Cl	766491189	NGYIWAXXVXLOCO-NTEUORMPSA-N	312.756	3.110	10	20	DGCD	
O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1cc(O)cs1	761603394	QTNGPLOJSCACHB-UHFFFAOYSA-N	321.308	3.374	10	20	DGCD	
Oc1ccccc1[C@H](CCc1ccccc1)NC[C@H]1C[C@H](O)C1	872126983	QQAGPSZETZRFDS-LNLFQRSKSA-N	311.425	3.427	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCSCC3)cc2)CS1	876942773	FCQJVCLNDGEROM-UKRRQHHQSA-N	308.516	3.223	10	20	DGCD	
CO[C@@H]1CCC[C@@H]1CNCc1cc(Br)ccc1O	774833919	WNAKWHATCWDBOS-QMTHXVAHSA-N	314.223	3.059	10	20	DGCD	
C[C@H](Nc1nccc(N2CCCC2)n1)c1ccc(N(C)C)cc1	772299290	FMDMRLQGPYXFGG-AWEZNQCLSA-N	311.433	3.316	10	20	DGCD	
c1ccc(C2CN(Cc3ccc(N4CCOCC4)cc3)C2)cc1	877666184	ZILAWGPQRQSCOE-UHFFFAOYSA-N	308.425	3.123	10	20	DGCD	
C[C@H](CSc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	778917831	JOOZLQOFZIATJX-GFCCVEGCSA-N	317.410	3.142	10	20	DGCD	
COC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cc1	779432176	MSYRKUXVAYJUMO-UHFFFAOYSA-N	302.349	3.290	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc(F)c(F)c1	1116850864	VWTWVDRGYZWYOG-UHFFFAOYSA-N	309.659	3.407	10	20	DGCD	
CC(C)N(C)c1ccc(NC(=O)c2cccc(O)c2O)cc1F	776341405	QGLTWFUJBMKHMU-UHFFFAOYSA-N	318.348	3.334	10	20	DGCD	
CSCCCCCNCc1ccc(N2CCN(C)CC2)cc1	775363216	XSQBNECTJXVJHN-UHFFFAOYSA-N	321.534	3.061	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2(CCOC)CC2)cc1	772973672	CXGINTGHFLNZKQ-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CCn1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)c1	792313011	IGGAVENDFWMVDG-UHFFFAOYSA-N	304.365	3.187	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCC[C@H]1C	798416747	PTJUFQWUQSJKSH-UKRRQHHQSA-N	303.450	3.296	10	20	DGCD	
CN1CCC2(CCCN(Cc3c(O)cccc3Cl)C2)CC1	798956784	ORFGJOYOYWFJCH-UHFFFAOYSA-N	308.853	3.353	10	20	DGCD	
CCOc1ccc(N(CC)C[C@@H]2CC3(CCC3)C(=O)O2)cc1	792247528	ODOOHVHQPJFJFR-INIZCTEOSA-N	303.402	3.397	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O	691511567	KXGOUEXBICLJNN-OAHLLOKOSA-N	320.433	3.054	10	20	DGCD	
CC[C@@H](NCC[C@@H](C)NC)c1ccc(C(F)(F)F)cc1O	1326037085	VRKHMTMTANBJCL-ZWNOBZJWSA-N	304.356	3.450	10	20	DGCD	
CS[C@H]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1	1341568766	DZWSEOIGNRARKO-ROUUACIJSA-N	320.502	3.239	10	20	DGCD	
Nc1ccc(CNC(=O)N2Cc3ccccc3C3(CCC3)C2)cc1	1346738249	FJZVQQNZPMDQKZ-UHFFFAOYSA-N	321.424	3.416	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1Cc2ccc(F)cc21	1346941677	WMHWTCBHOOLRRK-SNVBAGLBSA-N	317.707	3.294	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccsc1C(=O)O	1600236022	FZRWIJMHIDCSNK-UHFFFAOYSA-N	304.415	3.111	10	20	DGCD	
CC[C@H](NCC[C@H](O)CC)c1cc(Br)ccc1O	119246949	AMYGWNCQHJWMFY-YPMHNXCESA-N	316.239	3.356	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(F)c1	182493977	MKJHLXIKSPSMJT-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
CCCc1nc(C)c(C(=O)NCc2cccc(OC)c2O)s1	68489078	OTBOSBBRFYDXRC-UHFFFAOYSA-N	320.414	3.048	10	20	DGCD	
Cc1cc(C(=O)NCC[C@H](C)O)c(C)n1-c1cccc(Cl)c1	118719335	ZQKAAWJXSPWQNT-LBPRGKRZSA-N	320.820	3.248	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC=CCC1	115811481	AQCZSOYGRBKDBH-HNNXBMFYSA-N	301.434	3.217	10	20	DGCD	
CCOc1cccc(CN[C@@H](COC)c2ccc(CC)o2)c1O	174481152	TUIYHBGZCJBSBE-HNNXBMFYSA-N	319.401	3.424	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)o1	68478499	WGZIJLWYNMSKCR-OAHLLOKOSA-N	300.402	3.275	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2CCCO[C@@H]2CC(C)C)c1	185195567	OBKFSBMZKIHWLM-SJLPKXTDSA-N	307.434	3.474	10	20	DGCD	
O=C(CC1CCC1)NCc1ccc(N2CCSCC2)cc1	79616491	CVXHKDRXZHCFCF-UHFFFAOYSA-N	304.459	3.046	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H](C)Cn3cccn3)cc2)CC1	138430483	QUNYNFVHYKVFLY-KRWDZBQOSA-N	312.461	3.298	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CC[C@H]1C	237543970	ZUMAIONWXZOCMS-RYRKJORJSA-N	302.462	3.438	10	20	DGCD	
Cc1ccc(C)c(C(=O)CCC(=O)NCCc2ccc(N)cc2)c1	237639944	IXWDBYBOAWFFPJ-UHFFFAOYSA-N	324.424	3.207	10	20	DGCD	
CCOc1cccc(CN(C)CC[C@@H]2CCCCN2C)c1O	93660020	URMYIELZQDNIMF-INIZCTEOSA-N	306.450	3.097	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1	247247979	YCQVJQZHXWGCFM-HLLBOEOZSA-N	301.478	3.419	10	20	DGCD	
CC[C@H](CN[C@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	296571284	SWXIDACTFLHHCO-KGLIPLIRSA-N	320.433	3.272	10	20	DGCD	
Cc1c(CNCc2cnn(CC(F)F)c2)n(C)c2ccccc12	353261364	YYAWGHFGPRJKRS-UHFFFAOYSA-N	318.371	3.238	10	20	DGCD	
O=C1Nc2ccccc2[C@@H]1C1CCN(Cc2ccccc2O)CC1	361067900	OLJQGJJNVMGOPF-IBGZPJMESA-N	322.408	3.340	10	20	DGCD	
CC[C@@H](NCc1ccccc1Cn1cncn1)c1ccccc1O	274910467	MYOVOCUHIHXTKC-GOSISDBHSA-N	322.412	3.273	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCSC1	283561604	GFBZNDFNVBYQKA-AWEZNQCLSA-N	308.447	3.209	10	20	DGCD	
Cc1cccc(CCCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)n1	287289627	DDQJAOYDNDMKEX-CYBMUJFWSA-N	315.373	3.287	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)N(CC)CC	801599310	JWCCXNSTWKPEIW-OAHLLOKOSA-N	306.450	3.251	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](O)Cc2cccc(F)c2)c(O)c1C	297390230	RSTQKNYNZOGKHM-WMLDXEAASA-N	317.404	3.402	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)ccc1Cl	816028922	QZHOXPNFXUQILS-SECBINFHSA-N	323.751	3.251	10	20	DGCD	
Cc1ccc(O)c(CNCCc2cc(C(F)(F)F)ccn2)c1	815148717	HFBMRLKPVMLTSF-UHFFFAOYSA-N	310.319	3.447	10	20	DGCD	
Cc1cccc2c1OC[C@@H](N[C@H](C)c1cc(F)ccc1O)C2	810259810	TVXISLYSXACOHX-DOMZBBRYSA-N	301.361	3.494	10	20	DGCD	
C[C@@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1ccc(F)cc1O	724927926	YHOJPXKCGLTMBD-DGCLKSJQSA-N	324.396	3.191	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2c[nH]nc2C)c1	728190585	KAZOPRVYHSZDOE-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cc(O)cs2)C1	828732778	WKGFGXZBTROHHK-LLVKDONJSA-N	302.399	3.186	10	20	DGCD	
CCC[C@H](OC)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	822270212	ZCTBPCJZNARKST-KRWDZBQOSA-N	306.450	3.306	10	20	DGCD	
Cc1nonc1COC(=O)c1sccc1-n1c(C)ccc1C	735901373	QGSCAGNOPICJHW-UHFFFAOYSA-N	317.370	3.204	10	20	DGCD	
COCCN(C(=O)c1cc(O)cs1)[C@H](C)c1ccccc1	732278402	LMQLTQQGMGSNRQ-GFCCVEGCSA-N	305.399	3.304	10	20	DGCD	
O=C(NCCCSc1nccs1)c1cc(Cl)ccn1	733974890	OUNUWCNNUNPBNN-UHFFFAOYSA-N	313.835	3.104	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCC[C@@](C)(O)c1ccccc1	840939279	MKSVLJFKZLXGNW-HXUWFJFHSA-N	312.457	3.448	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H](c1ccccc1)N(C)C	841296686	XEKVRXUIDHCAAQ-SUMWQHHRSA-N	312.417	3.082	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H]2N(C)CCCC2(C)C)c1O	846166856	DPFCMSMXYOJRAL-XJKSGUPXSA-N	306.450	3.172	10	20	DGCD	
CCc1cccc(CN2CCCN2C(=O)OC(C)(C)C)c1O	848908791	DJKDZZUZFLPDQW-UHFFFAOYSA-N	306.406	3.312	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H](CC(C)C)OC)c1O	841887958	AYVYQAVHGRORIU-CYBMUJFWSA-N	301.814	3.205	10	20	DGCD	
CCc1cccc(CN[C@]2(CO)CCCc3ccccc32)c1O	848908678	AUAYPMVJTBPTIP-FQEVSTJZSA-N	311.425	3.268	10	20	DGCD	
CO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(N2CCCCCC2)cc1	842908465	NDDUKHJIOKNXHU-ATZDWAIDSA-N	318.461	3.131	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@@]2(C)CCO[C@@H]2C2CC2)cc1F	1351328570	GBHAKFOLVFKIGP-QZTJIDSGSA-N	324.415	3.326	10	20	DGCD	
C[C@H](CNC(=O)NCCc1ccc(N)cc1)Cc1cccs1	841836645	XSOIVCRNFQIXNH-ZDUSSCGKSA-N	317.458	3.051	10	20	DGCD	
CNCc1ccccc1NCc1cc(Cl)cc(OC)c1O	841043724	RGWNIAWNODVOOI-UHFFFAOYSA-N	306.793	3.386	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1ccccc1)c1cc(F)cc(F)c1O	756571684	IYGPHZSLOPCROJ-GTNSWQLSSA-N	307.340	3.229	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCc3ccc(C)cc32)c1	858201169	IXKFZLSARMHWBJ-KRWDZBQOSA-N	310.397	3.496	10	20	DGCD	
Cc1cccnc1CCCNCc1cc(F)c(N(C)C)cc1F	858172956	MINMOCXECHMFKK-UHFFFAOYSA-N	319.399	3.457	10	20	DGCD	
CCC[C@H](C)[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768464124	ZYSOYWKFQHXDMQ-NUTKFTJISA-N	305.418	3.219	10	20	DGCD	
COC(=O)CCC(C)(C)NCc1ccc(N2CCCCC2)cc1	762786341	MHSXVPXTYMORTL-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
CN(CCC(=O)OC(C)(C)C)Cc1ccc(N(C)C)c(F)c1	769497233	AFKXDADYRCWLCL-UHFFFAOYSA-N	310.413	3.055	10	20	DGCD	
CCN(CCOc1ccccc1C(=O)O)c1ccc(OC)cc1	768776998	KXRPCIYINVUGRA-UHFFFAOYSA-N	315.369	3.299	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccc(Cl)nn2)C2CC2)cc1	876570542	FVLUSQXABSEMIV-UHFFFAOYSA-N	316.836	3.361	10	20	DGCD	
CCc1ccccc1NC(=O)CN(C)Cc1c(C)cccc1O	876539850	RAZGAOPUQNEFJN-UHFFFAOYSA-N	312.413	3.334	10	20	DGCD	
C[C@@H]1CCCN(C(=O)CCN[C@H](C)c2ccc(Cl)cc2O)C1	1118027232	VPPKZFKUQRDIFK-CHWSQXEVSA-N	324.852	3.345	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@@H]1C1CCCCC1	779486384	WQDCPFNMKZABGD-VIGJRRFGSA-N	301.386	3.196	10	20	DGCD	
CC[C@H](C)C(=O)N1CCC[C@H]1CNCc1ccc(OC)c(C)c1	1044932765	SRQFCUKPTJQIGV-YOEHRIQHSA-N	318.461	3.130	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NCC2CC=CC2)C2CC2)cc1	875798614	VMEUGVXWJWTTMM-UHFFFAOYSA-N	313.445	3.393	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1O	774943469	ULELQFGZEKCCDG-ZJQBRPOHSA-N	320.389	3.223	10	20	DGCD	
C[C@H](NCCc1nn(C)c2ccccc12)c1c(O)cccc1F	886594657	REHCHZNFCMXBCX-LBPRGKRZSA-N	313.376	3.311	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(N(C)C)cc1	773152511	XSJARLLJVUICCP-UONOGXRCSA-N	312.417	3.269	10	20	DGCD	
CCc1ccc([C@@H](COC)NCc2cc(F)cc(F)c2O)o1	883017798	BHPBMUVYIILBKI-CQSZACIVSA-N	311.328	3.303	10	20	DGCD	
CCCn1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C	1120637502	PKLAGEMIFFBMFO-CYBMUJFWSA-N	314.433	3.159	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nc(C3CC3)cs2)c1	1123768562	BLMBTUSRTJBYSW-VIFPVBQESA-N	318.398	3.226	10	20	DGCD	
CSCC(C)(C)NCc1cccc(Br)c1O	898305834	UEAOGELBDLLMPW-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
C[C@H]1CC[C@@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1	793347299	RWXPPCUQACYHQJ-LSDHHAIUSA-N	306.425	3.188	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1	1337019248	PWOSETQXLBUQJY-SFHVURJKSA-N	324.428	3.055	10	20	DGCD	
Cc1sccc1CC(=O)Nc1c(Cl)ccc2nonc12	1346940295	FWRRGSMLHZTGHH-UHFFFAOYSA-N	307.762	3.427	10	20	DGCD	
CCn1c([C@H]2CC=CCC2)nnc1N(C)Cc1ccccc1O	1342670866	NQZXOHUEOLMLIQ-AWEZNQCLSA-N	312.417	3.464	10	20	DGCD	
Cc1cccc(CN(C)c2ccc(OCC(=O)O)cc2)c1F	1607851438	ZZIZLSIAADOGJE-UHFFFAOYSA-N	303.333	3.234	10	20	DGCD	
Cc1cc(O)c(CN2CCSC[C@H](C(=O)O)C2)cc1C(C)C	1600286881	YVQDVWXGLGMUDY-CQSZACIVSA-N	323.458	3.074	10	20	DGCD	
CS[C@@H]1CCC[C@H](NC[C@@H](N)c2ccc(N(C)C)cc2)C1	1579370472	QWCLZAFMKXYESQ-USXIJHARSA-N	307.507	3.016	10	20	DGCD	
COc1ccccc1N1CCN(Cc2cc(C)ccc2O)CC1	155975134	CTNXDKDEEHNRCY-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
COC(C)(C)CN(C)Cc1cc(Br)ccc1O	404324050	PRVZBQCXEVCSJY-UHFFFAOYSA-N	302.212	3.012	10	20	DGCD	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccc2O)CC1	321877327	ITUDBURAHQPECU-SHTZXODSSA-N	320.433	3.318	10	20	DGCD	
CSC[C@@H]1CCCN1Cc1cccc(Br)c1O	93761224	OEEMYTWNCAYDJD-NSHDSACASA-N	316.264	3.482	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Cl)nc2)c1	103503206	WWDMGMDXNQFIAV-SECBINFHSA-N	321.764	3.332	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)ccc2C)c1	104124924	IYCOVDQQRQZHQC-NSHDSACASA-N	303.333	3.339	10	20	DGCD	
COc1cccc(CNC(=O)C[C@H](C)c2ccc(F)cc2)c1O	105650152	VYMPMLBRZOLHBM-LBPRGKRZSA-N	317.360	3.350	10	20	DGCD	
COc1cccc(CNC(=O)NCC2(CC(C)C)CCC2)c1O	129885853	UHVKXYUHYVMLGK-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCCCCC1)c1ccccc1O	155504008	FCHFCVQNFZRVNF-INIZCTEOSA-N	304.434	3.226	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(s2)CCC3)c1	157885359	DEZKAHDDVHGZHK-SNVBAGLBSA-N	317.410	3.442	10	20	DGCD	
C[C@@H](NCCCN(C)C(=O)OC(C)(C)C)c1ccccc1O	183491156	JFZPBACBMRFGBD-CYBMUJFWSA-N	308.422	3.300	10	20	DGCD	
COc1cc(Cl)cc(CN2CCn3cccc3[C@@H]2C)c1O	184672850	BZVGJHVQUHMKPX-NSHDSACASA-N	306.793	3.433	10	20	DGCD	
C[C@@H](N[C@@H]1CCC[C@@H]1CCO)c1cc2c(cc1O)CCCC2	188002151	MAUXOPCQMKRLOT-HBUWYVDXSA-N	303.446	3.473	10	20	DGCD	
Cc1cccc(C[C@@H](CO)N[C@@H](C)c2cc(F)ccc2O)c1	191603466	GLYHVAAXLANYKJ-BBRMVZONSA-N	303.377	3.094	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc(NC(N)=O)cc2)cc1C	237169146	RSPQEENNSZOAMZ-CYBMUJFWSA-N	313.401	3.345	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2C[C@H](C)Oc3cc(F)ccc32)s1	254986567	TZLSYPDHNCXAKY-OAQKJQOQSA-N	318.373	3.418	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)NC1CCCC1	266536840	HKUZWHPGDAGXKI-AWEZNQCLSA-N	304.434	3.052	10	20	DGCD	
C[C@@H](N[C@@H]1CCOC2(CCCC2)C1)c1cc([N+](=O)[O-])ccc1O	273350579	BOHQBWAOQDEKAF-CHWSQXEVSA-N	320.389	3.443	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@H](C)c2ccc(C)c(C)c2O)cc1	273415880	QXEPICARAHCEKL-KDOFPFPSSA-N	315.413	3.402	10	20	DGCD	
CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2O)n[nH]1	276851326	BCRCNFGYIYTVNG-DTWKUNHWSA-N	310.348	3.324	10	20	DGCD	
CC[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1O	285703037	PCXPXMAXSLTTKP-NVXWUHKLSA-N	307.340	3.445	10	20	DGCD	
CC[C@H](NC[C@H](C)Cn1ccnc1C)c1ccc(F)cc1O	286277439	VPBYOVMTPDWHKJ-LRDDRELGSA-N	305.397	3.413	10	20	DGCD	
CC1(C)CN(C(=O)c2cccc(O)c2O)[C@H]1c1cccs1	288477621	CDRXUSWFOKHQKL-AWEZNQCLSA-N	303.383	3.383	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CCCC3=O)cc1	292658490	CVGMIQOWSKIKPL-UHFFFAOYSA-N	322.408	3.202	10	20	DGCD	
CC(C)(CN[C@@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	297646282	JZPMKBVTPDJZMT-CYBMUJFWSA-N	320.433	3.272	10	20	DGCD	
C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1O	303268030	FVYOKSWSBHEVBD-WMLDXEAASA-N	314.404	3.456	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1	324210685	NZJAIFYDVOMSMK-CHWSQXEVSA-N	324.428	3.334	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C(C)C)C(C)(C)O)CC2)cc1	377027305	YWZXDWCQAOLJEY-SFHVURJKSA-N	320.477	3.049	10	20	DGCD	
C1=C[C@H]2CC[C@H]1C[C@@H]2CNCc1ccc(N2CCOCC2)cc1	402803774	ZOEQMZSJUIMDMZ-YTQUADARSA-N	312.457	3.215	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2cnccc2C)cc1OC	492533049	MDYBTRQSSPZZGZ-VMPITWQZSA-N	312.369	3.083	10	20	DGCD	
Cc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)ccc1Cl	588449737	CFKBICXBPNMKMN-DAXSKMNVSA-N	317.772	3.389	10	20	DGCD	
Cc1cc(C(=O)NCc2cocn2)c(C)n1-c1ccc(F)cc1	730803086	LZERTAUZURXAHV-UHFFFAOYSA-N	313.332	3.151	10	20	DGCD	
O=C(NCc1sccc1Br)c1cc(O)cs1	732279212	KTBYRVWIKHBGAW-UHFFFAOYSA-N	318.217	3.208	10	20	DGCD	
CC(C)c1cccc(NC(=O)COC(=O)c2cc(O)cs2)c1	732354259	IIHXHVPDQHTSOM-UHFFFAOYSA-N	319.382	3.373	10	20	DGCD	
c1ccc2c(c1)CCCN2CCNCc1ccc2c(c1)CCO2	742718231	MRWDXAFOZYDCNL-UHFFFAOYSA-N	308.425	3.164	10	20	DGCD	
CCN1C(=O)/C(=C/c2cnn(-c3ccccc3)c2)SC1=S	746999472	MEENHJVAEMSFKM-JYRVWZFOSA-N	315.423	3.093	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)C1CC=CC1	751307127	FNBCTZKRKNYPCS-UHFFFAOYSA-N	304.353	3.301	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC[C@@H]2CCCN2C)cc1	767359219	GEFXFXQZFIXNRD-SFHVURJKSA-N	303.494	3.449	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@@H](COC(C)C)C2)cc1C(C)C	769805225	WXIIDJAGSJIDHV-QGZVFWFLSA-N	321.461	3.450	10	20	DGCD	
C[C@@H](NC(=O)CN(C)c1ccccc1)c1ccc(N(C)C)cc1	775407397	UDPBIIJKMNHNOI-OAHLLOKOSA-N	311.429	3.066	10	20	DGCD	
CCCN(CC(C)(C)O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776238305	ISZUJTURXWJWGG-CQSZACIVSA-N	321.465	3.006	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2N(C)CCCC2(C)C)c1	790498153	PGSJJEJPWVSLEZ-GUYCJALGSA-N	306.450	3.172	10	20	DGCD	
C[C@H](NC(=O)c1cc(O)cs1)c1nccn1-c1ccccc1	807811097	WQAJYMUIEUYPGO-NSHDSACASA-N	313.382	3.130	10	20	DGCD	
CCOCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	808291308	ILYWNJPMCSHMBG-AWEZNQCLSA-N	321.465	3.176	10	20	DGCD	
CCn1nccc1CNCc1cc(Cl)cc(Cl)c1O	809774275	HZEFAJAFMQDGBA-UHFFFAOYSA-N	300.189	3.205	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC(C)(CC)C2)cc1	813043770	QBMJAUGSKJXWPA-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
C[C@@H](N[C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O	815598355	SLMVEHWONKHMHN-MWLCHTKSSA-N	303.324	3.223	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC(C)(C)C(C)(C)C)c1O	816618630	DBVFABZMGLHLMU-UHFFFAOYSA-N	310.394	3.471	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1	817939098	YVTNBBNCUWOFDW-SCLBCKFNSA-N	301.409	3.242	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3cccc(O)c3)C2)cc1	818219394	DSZOGIROWHSDKD-MRXNPFEDSA-N	312.413	3.017	10	20	DGCD	
CCn1nc(C)c(CN[C@H](C)c2cc3c(cc2O)CCCC3)n1	818344512	DSQFYTSNUFWNNX-GFCCVEGCSA-N	314.433	3.042	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](O)CNCc1ccc(N(C)C)c(F)c1	818985240	PJQOQDMGXRUWHZ-AUUYWEPGSA-N	316.420	3.146	10	20	DGCD	
COc1cc(F)cc(C[C@H](C)NCc2cc(F)ccc2O)c1	825325370	BRCQRKMCVDLYAB-NSHDSACASA-N	307.340	3.400	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](CO)c1ccc(F)cc1F	827715081	HGNSKDYWMGMBFZ-GOSISDBHSA-N	320.383	3.162	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc(F)cc1C(C)=O	830394901	PVBNTQLNAPDZPX-UHFFFAOYSA-N	306.289	3.461	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[C@@H]2C[C@@H]21	838485083	BOZDFMYBDYFLSJ-BPQIPLTHSA-N	311.429	3.051	10	20	DGCD	
C[C@@H](NCc1nccc(C(F)(F)F)n1)c1ccc(F)cc1O	840869643	NIXHURPUZBDYMK-MRVPVSSYSA-N	315.270	3.191	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCCc3ccccc3CC2)cc1	841955881	QKNZURDKCNHBGX-UHFFFAOYSA-N	323.440	3.012	10	20	DGCD	
C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)CC12CCC2	841960586	TWBJSVSILYCEOP-AWEZNQCLSA-N	301.434	3.033	10	20	DGCD	
Cc1cccc(CN2CCCCN2C(=O)OC(C)(C)C)c1O	846070275	QPQKWKJOOLRWNC-UHFFFAOYSA-N	306.406	3.449	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2cccc(C3CC3)c2)cc1	848395126	YPHZJTOOAVESHP-LJQANCHMSA-N	323.440	3.060	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC2CCN(CC3CC3)CC2)c1	850584077	QGKZQSSAMCPIEX-AWEZNQCLSA-N	318.461	3.173	10	20	DGCD	
COc1cc(N(C)CC=C(Cl)Cl)cc(OC)c1OC	851783686	OFMMXGLFNKMYCE-UHFFFAOYSA-N	306.189	3.468	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]2C[C@@H]2C1	852385728	SQWNKGQGDONPJB-BHYGNILZSA-N	315.461	3.043	10	20	DGCD	
CCOC(=O)c1cnc(NCc2ccc(N(C)C)cc2C)s1	853343140	XOYMWQMCNOTIKI-UHFFFAOYSA-N	319.430	3.306	10	20	DGCD	
CO[C@]1(C)CCCN(Cc2cc(F)c(N(C)C)cc2F)CC1	862351971	XJSIEBZFUUVNLU-QGZVFWFLSA-N	312.404	3.422	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@H]2[C@@H]2CCCO2)cc1F	862360259	YWSWAUDSBQZJKU-RDJZCZTQSA-N	310.388	3.174	10	20	DGCD	
CCc1noc(C2CCC(NCc3cc(C)ccc3O)CC2)n1	862476097	HZCKRZYWZSOCPS-UHFFFAOYSA-N	315.417	3.462	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1c(O)cccc1F	886553438	NFSUDLPDIWEGCV-GDZNZVCISA-N	303.377	3.174	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc(C(=O)OC)c(C)c2)SC1=S	899333694	RUIYBYSLHPPYLH-XYOKQWHBSA-N	321.423	3.003	10	20	DGCD	
Cc1cc([C@H](NCc2ccc(N(C)C)cc2)C(=O)O)ccc1F	901842668	LSABGIOMTJTYQM-KRWDZBQOSA-N	316.376	3.116	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCc1ccc(F)c(F)c1	920343876	IRHSNVFLCBBYJN-UHFFFAOYSA-N	306.312	3.012	10	20	DGCD	
CCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)[C@H](CC)C1	1037758907	KZOHLNFUYNBICD-IAGOWNOFSA-N	318.461	3.130	10	20	DGCD	
CCCC(=O)NCCC1=CCN(c2cnc3ccccc3n2)CC1	1089804257	AJKWYSVNZALCQK-UHFFFAOYSA-N	324.428	3.073	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1	1262603806	VWZXKIPCCCZDKO-GOSISDBHSA-N	323.440	3.433	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1cccc(N(C)C)n1	1323830037	PAWIVVOFIHGLMD-HIFRSBDPSA-N	311.429	3.500	10	20	DGCD	
O=C1NCCN(Cc2ccc(N3CCCC3)cc2)c2ccccc21	1323967369	LUCQBYYCVZUINI-UHFFFAOYSA-N	321.424	3.037	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1O	1327704492	ZZILYNYAMVNRFZ-NVXWUHKLSA-N	319.445	3.490	10	20	DGCD	
Nc1ccc(CNC(=O)NCc2cc(C3CC3)ccc2F)cc1	1336102367	XWPFPVWGJHXMBS-UHFFFAOYSA-N	313.376	3.285	10	20	DGCD	
Nc1ccc(CNC(=O)c2oc(C3CC3)nc2C(F)F)cc1	1343495267	NZBYCPNKVOMKCZ-UHFFFAOYSA-N	307.300	3.002	10	20	DGCD	
CC[C@@H](NC[C@@H](C)CNC)c1cc(Br)ccc1O	1348853219	SLEDVYVNJFFRNM-GXFFZTMASA-N	315.255	3.051	10	20	DGCD	
COc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1OC	1351999205	WWXQYVHDPNVYJG-GZBFAFLISA-N	305.418	3.468	10	20	DGCD	
CC1(C)C[C@H](NC(=O)NCc2ccc(N)cc2)c2ccccc21	1357667238	BMZUGWPMUAAJBD-KRWDZBQOSA-N	309.413	3.491	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@H]1c1ccc(F)cc1	1521851084	GAAVVYHBURMZPP-LSDHHAIUSA-N	315.344	3.047	10	20	DGCD	
CCN(CCCCCCc1cnn[nH]1)c1ccc(OC)cc1	1576521874	JFVZDXIAYKJUNK-UHFFFAOYSA-N	302.422	3.443	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCCC2(C)C)cc1	1578424492	JBPCAGVEXIRNSV-IRXDYDNUSA-N	317.477	3.085	10	20	DGCD	
CN(C)c1ccc(CN(C)C2(C(=O)O)CCCCC2)cc1F	1598317241	BVGPJXWSQCZTOL-UHFFFAOYSA-N	308.397	3.111	10	20	DGCD	
C[C@H](NCCCOc1ccccc1)c1cc(C(=O)O)ccc1O	1609779769	NRTNTQZMMDOVND-ZDUSSCGKSA-N	315.369	3.210	10	20	DGCD	
Cc1nc(-c2cccc(OCc3cc(C(=O)O)oc3C)c2)no1	1610550399	GZGHBHWLCYTVAM-UHFFFAOYSA-N	314.297	3.224	10	20	DGCD	
COc1cc(C)ccc1NC(=O)N(C)Cc1ccccc1O	52495095	OEAVKDGQDCDIBQ-UHFFFAOYSA-N	300.358	3.373	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C1CC1	117570573	TWYZUOLUXKDAPS-SSVWKNEZSA-N	309.365	3.379	10	20	DGCD	
CC[C@H](NC(=O)N(C)Cc1ccccc1O)c1c(C)noc1C	123328004	AODPFODZVYBNMS-AWEZNQCLSA-N	317.389	3.290	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(C)nc(COC)n2)cc1	75046935	ITXUFIIWGHXYPA-UHFFFAOYSA-N	314.433	3.390	10	20	DGCD	
C[C@@H](NCCCC(=O)N(C)C)c1ccc2ccccc2c1O	185194223	PLGGJHQSXSDJPM-CYBMUJFWSA-N	300.402	3.064	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCNC[C@H]1c1ccccc1	313342527	GFQQOZXIGOLTGD-INIZCTEOSA-N	302.805	3.192	10	20	DGCD	
Cc1cccc(C(=O)NCc2ccccc2O)c1Br	229891712	VJORVBSFFWCGOQ-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
CCc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	190919988	FNJYLCJWUGTVKF-LBPRGKRZSA-N	314.385	3.413	10	20	DGCD	
O=C(CC1CCCC1)NCc1cccc(Br)c1O	277458018	GRWUDYXGIIPUHX-UHFFFAOYSA-N	312.207	3.351	10	20	DGCD	
CCN(Cc1nc(-c2ccccn2)no1)c1ccc(OC)cc1	364565742	WJLHKFVBKXYQQX-UHFFFAOYSA-N	310.357	3.167	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NC[C@H](C)CCO)c1O	275346224	PSMOSFVAZFJOGW-MWLCHTKSSA-N	316.239	3.132	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@H](C)O[C@H](C3CC3)C2)c1O	373472898	GOLKYWPVOXPCJH-BONVTDFDSA-N	311.809	3.054	10	20	DGCD	
COc1ccccc1N(CCO)Cc1cccc(Cl)c1O	290264088	XANWVZRJSWOKSU-UHFFFAOYSA-N	307.777	3.053	10	20	DGCD	
CC[C@@H](CN[C@@H](C)c1ccc(Br)cc1O)OC	290017148	CCRAPAZEHWEPKU-ONGXEEELSA-N	302.212	3.230	10	20	DGCD	
O=C1NCCN1c1cccc(N[C@@H]2CCc3cccc(O)c32)c1	296677699	GHAWRJVVTZLJND-OAHLLOKOSA-N	309.369	3.021	10	20	DGCD	
C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1c(O)ccc(Cl)c1F	809703680	OIFZJOHYJQCPCE-VXGBXAGGSA-N	312.816	3.243	10	20	DGCD	
COc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1F	814285152	PJIVFLXKSAOLAS-KPKJPENVSA-N	309.387	3.198	10	20	DGCD	
OC[C@@H]1Cc2ccccc2N(Cc2cc(Cl)cc(F)c2O)C1	814169761	MNDYMCTYMHCHRD-LLVKDONJSA-N	321.779	3.356	10	20	DGCD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCc1ccc(N)cc1	818545258	SFSONTXWRPIQMI-HUUCEWRRSA-N	300.427	3.101	10	20	DGCD	
CC(C)[C@H]1N(Cc2ccc(N3CCN(C)CC3)cc2)CC1(C)C	816624974	NEMRPHQDVVBPBE-LJQANCHMSA-N	315.505	3.305	10	20	DGCD	
CCc1nc(CNC2CCN(c3ccc(OC)cc3)CC2)co1	825055823	BETLAIVTLAXLSQ-UHFFFAOYSA-N	315.417	3.004	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NOCC1CCC1	824099258	OECVKBZSJVCFMO-UHFFFAOYSA-N	319.188	3.230	10	20	DGCD	
CCC[C@H](CC)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	824712192	VURUVYRQZWQFFR-INIZCTEOSA-N	318.461	3.090	10	20	DGCD	
CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)/C=C\c1ccc(O)c(O)c1	836888015	IGJAKXPARQKEHI-ZBWFSNBTSA-N	303.402	3.250	10	20	DGCD	
C[C@H]1CCCN(c2ccc(CN[C@@H](C)C(=O)O)cc2Cl)C1	904237771	TVMDKBJAZSYSSA-RYUDHWBXSA-N	310.825	3.139	10	20	DGCD	
CCCN(CC)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	746957673	BZGWMZKOLPUKBK-OAHLLOKOSA-N	319.449	3.026	10	20	DGCD	
C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1	919896655	HODOCISTJIETSR-GOEBONIOSA-N	303.450	3.378	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@@H]2C[C@H]3C=C[C@H]2C3)c1O	848924021	UWCOGBIQGOIPHR-RWMBFGLXSA-N	318.373	3.001	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C2CCC1CC2	840487687	HLZOZOCANCCNHV-ODIFPOPNSA-N	315.461	3.328	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C2CCC(C)(C)CC2)cc1	844163301	YHRKZBUIFGHMAJ-KRWDZBQOSA-N	317.477	3.085	10	20	DGCD	
COc1ccc(F)cc1[C@H](C)NC(=O)NCc1ccccc1O	748460297	NPDLAPMACQYUNF-NSHDSACASA-N	318.348	3.100	10	20	DGCD	
Cc1csc(-c2nnc(N(C)Cc3ccccc3O)n2C)c1	858867677	IONDETBYALILMG-UHFFFAOYSA-N	314.414	3.194	10	20	DGCD	
O=C(NCCCSc1nccs1)N1[C@H]2C=CC[C@H]1CC2	752687843	KSXPGOWAEKILTH-RYUDHWBXSA-N	309.460	3.128	10	20	DGCD	
Cc1ccc(NCCN[C@H](C)c2cc(F)cc(F)c2O)nc1	927073701	OFZSYIDOXBUQQJ-LLVKDONJSA-N	307.344	3.137	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3ccc(F)cc32)c1	858201136	SYFAJIBZEFXISM-MRXNPFEDSA-N	314.360	3.326	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](O)c2c(F)cccc2F)c(O)c1	756741980	ZJMHBJHTSLYUFN-BDJLRTHQSA-N	307.340	3.363	10	20	DGCD	
COc1cccc([C@@H](C)C(=O)NCc2cc(Cl)ccc2O)c1	857547706	QLJNPWSLFZFIGC-LLVKDONJSA-N	319.788	3.474	10	20	DGCD	
C[C@@H](NC(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21)c1ccccc1O	868423341	ZHIMRDAQXKACAE-HYLIHCSXSA-N	322.408	3.338	10	20	DGCD	
Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](C)c1ccccc1O	868251821	AUQBBTMXEGSAMZ-ZJUUUORDSA-N	303.362	3.118	10	20	DGCD	
C[C@H](NC(=O)c1scnc1Cl)c1ccc(N(C)C)cc1	773019504	YAFXXAYBZCXAIG-VIFPVBQESA-N	309.822	3.354	10	20	DGCD	
CC(C)n1ccc(NCc2ccc(N3CCC(O)CC3)cc2)n1	877493759	DRZKGWHMPKGMND-UHFFFAOYSA-N	314.433	3.037	10	20	DGCD	
OC[C@@H](NCc1cc(Cl)cc(F)c1O)c1ccc(F)cc1	776175650	WDXFDWWMUHPHNI-CQSZACIVSA-N	313.731	3.147	10	20	DGCD	
COc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1F	771250004	FKKCVXWRKZKDLU-UHFFFAOYSA-N	317.364	3.222	10	20	DGCD	
Cc1cc(O)c([C@@H]2NC(C)(C)C(=O)N2c2ccccc2)cc1C	877857593	VPTAVMXLGPRMQK-QGZVFWFLSA-N	310.397	3.423	10	20	DGCD	
CCN(C)c1ccc(Cn2cc(-c3cccc(C)n3)nn2)cc1	881317087	ZVHZBVCNXHNGDI-UHFFFAOYSA-N	307.401	3.153	10	20	DGCD	
CCn1cccc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)c1=O	788605639	BBEUQAHKRWOLMV-FZMZJTMJSA-N	316.376	3.051	10	20	DGCD	
COC(=O)[C@@H](NCc1cccc(Cl)c1O)c1cccs1	789570951	HZXZPGCXQCYZRE-LBPRGKRZSA-N	311.790	3.111	10	20	DGCD	
CC[C@H](NCCC(=O)Nc1ccccn1)c1ccc(C)cc1O	794804517	NNUGOFXQCSJBMN-HNNXBMFYSA-N	313.401	3.165	10	20	DGCD	
CCSCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	799976376	XDUZQOQZPPGMFV-CYBMUJFWSA-N	309.479	3.256	10	20	DGCD	
O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(Cc1ccc3ccccc3c1O)C2	1601790802	FNSAYESWKGXQML-CSMYWGQOSA-N	311.381	3.231	10	20	DGCD	
CCN1CCCc2cc(CNC[C@](C)(CC)C(=O)O)ccc21	1776875960	DJCZJSNOPWVFFE-SFHVURJKSA-N	304.434	3.050	10	20	DGCD	
CCNC(=O)c1cccc(NCc2cccc(Cl)c2O)c1	158054902	AKKGUKXVKHCUPA-UHFFFAOYSA-N	304.777	3.407	10	20	DGCD	
CC[C@H](NCCC(=O)NC1CCCCC1)c1ccccc1O	155246462	UDRXEWFWOYHMRW-INIZCTEOSA-N	304.434	3.272	10	20	DGCD	
COc1ccc(N2CCN(c3ccncc3Cl)CC2)cc1F	175729184	JVMXRDWDEXQBKH-UHFFFAOYSA-N	321.783	3.209	10	20	DGCD	
CC[C@H](NCc1c[nH]nc1C)c1cc(Br)ccc1O	38011171	CDNPEIJNMYIIED-ZDUSSCGKSA-N	324.222	3.427	10	20	DGCD	
CSC[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1C	152515273	HTBWSJJSYJCWNP-MRXNPFEDSA-N	321.490	3.098	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C(C)(C)Cc2ccccc2)c1	155967992	ALYKBAHAGXGMSR-UHFFFAOYSA-N	313.397	3.286	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)CC2CCC2)cc1	171836493	KJVYUFWMMFYWFE-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)c3cnn(C)c3)c2C)c1	173011020	ROPLFUNADHMGLB-UHFFFAOYSA-N	322.412	3.413	10	20	DGCD	
CCC1(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCC1	177091056	KOVRKWGSHMACIX-UHFFFAOYSA-N	316.445	3.361	10	20	DGCD	
CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccccc1O	177676167	SRHSUJZIFKQJFR-UHFFFAOYSA-N	316.357	3.331	10	20	DGCD	
Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1N(C)C	180645203	VUMGPVQPZIXOJI-WEVVVXLNSA-N	312.369	3.124	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc2ccccc2o1	180661457	BEEYGILUQCAMLM-SOFGYWHQSA-N	309.321	3.174	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@](C)(O)c2cccs2)c1	185518730	TXMHIYXEHQYBGQ-BZNIZROVSA-N	307.415	3.021	10	20	DGCD	
COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2cc(C)ccc2O)CC1	186765006	YNCCISSTZGQUHU-KGLIPLIRSA-N	320.433	3.218	10	20	DGCD	
CCOc1cccc(CN2CCC([C@H]3CCCO3)CC2)c1O	188275294	LJDRQNRGHYDFOF-MRXNPFEDSA-N	305.418	3.182	10	20	DGCD	
O=[N+]([O-])c1cnc(NCc2ccc(N3CC=CC3)cc2)s1	192461975	NWINRMYKJOVWPK-UHFFFAOYSA-N	302.359	3.040	10	20	DGCD	
CCC[C@@]1(COC)CCCN1Cc1cc(OC)c(OC)cc1O	195198064	KSPMADURAZGFIH-SFHVURJKSA-N	323.433	3.191	10	20	DGCD	
Cc1cc([C@@](C)(O)CNCc2ccc(N(C)C)c(F)c2)c(C)o1	266166134	PLQVDIMFIPMUHC-SFHVURJKSA-N	320.408	3.099	10	20	DGCD	
CN(Cc1cnc([C@H]2CCCO2)s1)Cc1ccccc1O	271120243	HGBHQNNTGGXGCZ-OAHLLOKOSA-N	304.415	3.332	10	20	DGCD	
CC[C@@H](C)c1nc([C@@H](C)NCc2cc(C)c(C)cc2O)n[nH]1	277469724	RJIOPGFPZOLFKN-ZWNOBZJWSA-N	302.422	3.491	10	20	DGCD	
CO[C@H]1CCC[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1	279669107	HLOPVKRXWMBZEU-ZFWWWQNUSA-N	322.424	3.103	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H]1CCOC1	280130540	DJCLYZXQZCRORX-GFCCVEGCSA-N	316.367	3.240	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccc(C)cc2O)[C@@]12CCCO2	280218771	UNXYJVGNBBHVAU-KANFNMMFSA-N	319.445	3.468	10	20	DGCD	
C[C@H](NCC1([S@@](C)=O)CCC1)c1ccc2ccccc2c1O	280884231	BAYHGTWHYJYDGC-WHEQGISXSA-N	317.454	3.497	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCC(F)(F)C1	282304317	SPKOLJDQJABSTK-FUEXJSSKSA-N	311.328	3.053	10	20	DGCD	
CC[C@H](N[C@@H](C)CC[S@](C)=O)c1cccc(Cl)c1O	287667125	LZPSPIFARNIJHB-JXBWDGJFSA-N	303.855	3.243	10	20	DGCD	
COc1cccc(CN[C@@H](C)CCOCc2ccccc2)c1O	288344614	BSMQWICGDPXOIQ-HNNXBMFYSA-N	315.413	3.486	10	20	DGCD	
COCC1(CN[C@@H](C)c2cc(Cl)ccc2O)CCOCC1	293657307	LROSKWNIGRFPMW-LBPRGKRZSA-N	313.825	3.139	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1ccc3c(c1)OCCCO3)CC2	297916300	WWRQAXRTAFUEHV-OAHLLOKOSA-N	311.381	3.331	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCN3CCC[C@H]3C2)cc1	378951309	HTXCXOPWJQOVRI-HKUYNNGSSA-N	301.478	3.249	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1nn(C)cc1Cl	393288387	KFFLZXSYLAEBDO-CMPLNLGQSA-N	305.809	3.426	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)ccc2F)c1	728985358	WPBGSOUHQVOWRW-SECBINFHSA-N	307.296	3.170	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)NC2CCCCCC2)cc1	739922241	DFLBMLAOFOQBFX-UHFFFAOYSA-N	304.434	3.361	10	20	DGCD	
CCN(CC)c1ccc(CNCCN2CCC[C@@H]2C)cc1F	742386609	JJLFAAJSYNTVBZ-HNNXBMFYSA-N	307.457	3.246	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@](C)(O)C(C)C	743713731	VACQHQPSQUWLMN-KRWDZBQOSA-N	320.458	3.292	10	20	DGCD	
O=C(C=C1CCC1)Nc1c(-c2ccccn2)nc2ccccn12	755384303	UGAUJHWVOVLZEK-UHFFFAOYSA-N	304.353	3.445	10	20	DGCD	
C[C@H](NC[C@H](O)c1ccco1)c1cc2c(cc1O)CCCC2	756382568	RMMPRJWGIQOHNC-SJCJKPOMSA-N	301.386	3.248	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCCCS2)c1	757659772	ZJGGVUCOAFGFFP-AAEUAGOBSA-N	309.431	3.115	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CC23CCC3)cc1F	759788268	TVPZLMHNHZCJDP-AWEZNQCLSA-N	304.409	3.478	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(F)ccc2O)cc1OC	778992956	MNVZSOCERPPANT-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
Cc1cccc2c1CCCN2C(=O)/C=C/c1ccc(O)c(O)c1	779522093	RBZDIPKSNRSRED-CSKARUKUSA-N	309.365	3.399	10	20	DGCD	
COc1cccc(CCN[C@H](C)c2ccccc2O)c1OC	783504900	ORYBPKQVTUZBNT-CYBMUJFWSA-N	301.386	3.303	10	20	DGCD	
C/C=C/C[C@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F	793083291	BRXDPUWQVCNKMO-MUBLQREKSA-N	316.367	3.188	10	20	DGCD	
COc1ccc(CNCc2cnc(C3CCC3)s2)c(O)c1	793391364	WKVHXDAKNHZYKR-UHFFFAOYSA-N	304.415	3.415	10	20	DGCD	
COc1ccc(CNC(=O)CCn2ccc3ccccc32)c(O)c1	794382505	BZHFFPPBBQBJEB-UHFFFAOYSA-N	324.380	3.062	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)[C@H](O)c2ccccc2)c(O)c1	808444553	IJUDLJLZXOKHTA-UGSOOPFHSA-N	301.386	3.003	10	20	DGCD	
CCOc1ccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(O)c1	811510345	CWLZGXJRXRSPDZ-DLBZAZTESA-N	305.418	3.180	10	20	DGCD	
Cc1cc(CN[C@@](C)(CO)C2CCCCC2)ccc1N(C)C	815052437	ONHBBDBHQXKOMG-IBGZPJMESA-N	304.478	3.482	10	20	DGCD	
OCC(F)(F)CN[C@@H](CCc1ccccc1)c1ccccc1O	815616875	ALHCJSOOQWGLPY-INIZCTEOSA-N	321.367	3.283	10	20	DGCD	
Oc1c(CN2CCO[C@@H](C(F)(F)F)C2)ccc2ccccc12	816513780	BKOUKNGAHJGBDK-CQSZACIVSA-N	311.303	3.309	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1c(O)cccc1Cl	827750162	AILGYSJMHCWSNC-GOEBONIOSA-N	311.809	3.257	10	20	DGCD	
C[C@H]1CCc2sc(C(=O)NCc3ccc(N)cc3)cc2C1	837303554	XNAAHQYTUXXTGK-NSHDSACASA-N	300.427	3.385	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(C)C1CCN(C(C)C)CC1	840910386	SAXPBJAOQUHPLU-UHFFFAOYSA-N	303.494	3.366	10	20	DGCD	
CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1	841299461	GWOPFFXVMDHINO-SFHVURJKSA-N	324.428	3.007	10	20	DGCD	
CC1(C)CN(C(=O)Nc2ccc(N)cc2)Cc2ccccc2O1	841299732	NGSKJDAKZRGQOP-UHFFFAOYSA-N	311.385	3.474	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(CC(F)F)C2)cc1	841764935	JWLVAZMFYYFSLG-HIFRSBDPSA-N	311.420	3.133	10	20	DGCD	
CCN(CCc1cccs1)C(=O)NCCc1ccc(N)cc1	841956119	VWSSDIBJTRCRNX-UHFFFAOYSA-N	317.458	3.147	10	20	DGCD	
CC(C)c1ncc(-c2nc(Cc3ccc(N)cc3)no2)s1	843160083	VKJPMFAXHUVKDM-UHFFFAOYSA-N	300.387	3.490	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cccc(OC)c2O)c(F)c1	846153198	HOVKNLQHXLJUOY-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
CCc1cccc(CN[C@@H](C)CCNC(=O)OC(C)(C)C)c1O	848909616	XXBYVRDEEGXINB-ZDUSSCGKSA-N	322.449	3.348	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H](OC3CCC3)C2)c(O)c1	848924974	JFGUJHPQPSLOTN-KRWDZBQOSA-N	305.418	3.324	10	20	DGCD	
CC(C)CCc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1	855105253	NETVGYQSBAENMF-VMPITWQZSA-N	315.373	3.061	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@@H](c2nnc3ccccn23)C1	876552927	CZIMNNQTWWKYJR-OAHLLOKOSA-N	322.412	3.123	10	20	DGCD	
COc1cc(C[C@@H](C)NCCCSc2nccs2)ccn1	877061371	FYDYRYCRNXPBFE-GFCCVEGCSA-N	323.487	3.250	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2cc[nH]c2c1	878008983	RAYKBLFRYKJVMS-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
COc1cc(C)cc(CN2CCCC[C@@H]2c2nc(C)no2)c1O	894757217	UJTMURQMKYLCLD-CQSZACIVSA-N	317.389	3.128	10	20	DGCD	
CN(Cc1c(O)ccc2ccncc12)Cc1nccn1C(F)F	913062051	GGLFIDMDKQDCHF-UHFFFAOYSA-N	318.327	3.164	10	20	DGCD	
COc1ncccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	917208479	CGANCWMOICIQAX-UHFFFAOYSA-N	322.368	3.145	10	20	DGCD	
CC(C)(C)NCCC(=O)NCc1ccc(N2CCCCC2)cc1	930934649	MQAAWKHWCMMITK-UHFFFAOYSA-N	317.477	3.071	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CC(=O)N(C(C)(C)C)C1	1116588407	FEAUNRQCHOJMJY-RDBSUJKOSA-N	316.445	3.238	10	20	DGCD	
C[C@@H](COCC1CCCCC1)NC(=O)NCc1ccc(N)cc1	1120559966	AJDGTRRNCCIJEE-AWEZNQCLSA-N	319.449	3.053	10	20	DGCD	
Cn1nccc1[C@@H]1CCCCN1Cc1cc(F)cc(F)c1O	1332706046	CHVQKTAVGPCVOJ-HNNXBMFYSA-N	307.344	3.131	10	20	DGCD	
CO[C@H]1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	1336439860	WRKAQJPDWHUOTA-MSOLQXFVSA-N	318.461	3.305	10	20	DGCD	
CO[C@H]1CCC[C@@H](CC(=O)Nc2c(Cl)ccc3nonc23)C1	1342953726	ZITHKAWSDVIPQV-ZJUUUORDSA-N	323.780	3.410	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)NCCC(F)F)c2C)cc1	1351036516	JQSXHEWJBHEGQM-UHFFFAOYSA-N	322.355	3.488	10	20	DGCD	
CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N)cc1	1353492864	ONPHGNQJDDUFPI-GJZGRUSLSA-N	307.463	3.132	10	20	DGCD	
CN(C(=O)C1=C2CCN=C2NC=C1)c1ccc(C(C)(C)C)cc1	1578391786	NYJDBFNPBZCYNU-UHFFFAOYSA-N	309.413	3.163	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1csc(C(=O)O)c1	1600236481	WSMXZJXLEVDVHI-UHFFFAOYSA-N	304.415	3.111	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)[C@H]2CC=CCC2)c(C)c1	1776856147	WAFUYZCCUCWPAX-MAUKXSAKSA-N	316.445	3.350	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](CC(=O)O)C(C)C)ccc21	1776875163	KSWBFYWJTMJEMO-MRXNPFEDSA-N	304.434	3.048	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccc(O)cc1	125347581	LBPUYEWETPHLSI-IZZDOVSWSA-N	310.397	3.096	10	20	DGCD	
CC[C@@H](CCO)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	125447443	WQDMQOKMBWVCRB-INIZCTEOSA-N	314.429	3.233	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](CC)[C@@H]1CCCO1	128802505	IFJYJRMRMWMMNW-WBVHZDCISA-N	320.433	3.271	10	20	DGCD	
CC[C@@H](Sc1ccccc1)C(=O)NCCc1ccc(N)cc1	152532010	AKENBOHNKFHCHX-QGZVFWFLSA-N	314.454	3.498	10	20	DGCD	
CC[C@@H](C)[C@H](C)NC(=O)NCCCSc1nccs1	152774604	PJDKZUXFOTYZKE-MNOVXSKESA-N	301.481	3.359	10	20	DGCD	
Nc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1	160422735	PLMMDAPVPXAJNL-SFHVURJKSA-N	309.413	3.262	10	20	DGCD	
O=C(CC[C@@H]1CCCCO1)NCc1ccc(N2CCCC2)cc1	171958639	COMYTVLBASURPQ-SFHVURJKSA-N	316.445	3.252	10	20	DGCD	
CC[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1	172698044	VGYXKOZKFWTIIL-CABCVRRESA-N	301.434	3.297	10	20	DGCD	
CC[C@H](C)CN(CC)C(=O)NCc1ccc(N(C)C)c(F)c1	178617084	ZMEUVDQHCBPMBN-ZDUSSCGKSA-N	309.429	3.469	10	20	DGCD	
COc1ccc(O)c(CN2CCC(OCCC(C)C)CC2)c1	179783141	HIQPFVBONAQUJH-UHFFFAOYSA-N	307.434	3.428	10	20	DGCD	
CCOC(=O)N[C@H](CN[C@H](C)c1ccccc1O)CC(C)C	183401350	FXDTXTDKCHUVSC-KGLIPLIRSA-N	308.422	3.204	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccccc2-n2ccnc2)c1	185125326	JRDDYCQNEJDRQG-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@H](C)c2ccc(C)cc2O)cc1	185826642	VNABEYRIMMENOO-KDOFPFPSSA-N	315.413	3.484	10	20	DGCD	
c1ccn2nc(NCc3ccc(N4CCCCC4)cc3)nc2c1	195013832	WKWDVMNJBFQOMG-UHFFFAOYSA-N	307.401	3.332	10	20	DGCD	
CS[C@H](CO)[C@H](C)NCc1cc(-c2ccccc2)ccc1O	265738628	DFSQVMVKXALOTF-SCLBCKFNSA-N	317.454	3.261	10	20	DGCD	
C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)C1CCCCC1	269258719	YVZXDWHKDAEPFG-CYBMUJFWSA-N	305.418	3.363	10	20	DGCD	
C[C@@H](NCCC[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1O	274081289	WFEQQYQEKLLUJE-TZMCWYRMSA-N	308.378	3.300	10	20	DGCD	
C[C@H](NCC1([S@](C)=O)CC1)c1cc(Cl)c(Cl)cc1O	282464059	VTNMDWSXHBWEAS-RLBGWGEZSA-N	322.257	3.261	10	20	DGCD	
Oc1ccc(Br)cc1CN[C@H]1CCC(F)(F)C1	310196865	ZGKDRESCRQYBGI-JTQLQIEISA-N	306.150	3.432	10	20	DGCD	
C[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C[C@@H](C)S1	387271595	WTYPDSQRJVIUNN-JYBZGJHDSA-N	322.386	3.023	10	20	DGCD	
C[C@@H](NCc1ccc(Br)cc1O)[C@@H]1CCCOC1	691487992	JQYCZHBJKQUJPL-ZYHUDNBSSA-N	314.223	3.059	10	20	DGCD	
C[C@H](O)CC(C)(C)CNCc1c(O)cccc1Br	706857906	NUFNUYYOTSCCPJ-JTQLQIEISA-N	316.239	3.041	10	20	DGCD	
COc1ccc(NC(=S)NNc2cccc(F)c2)cc1F	726479305	YWJWGGXXZCLJMW-UHFFFAOYSA-N	309.341	3.287	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(C3CC3)s2)c1	729535132	LAYFEUWAUAPKMW-SECBINFHSA-N	318.398	3.226	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]1C(C)C	734687119	JAXUHEOMNPFLPF-KRWDZBQOSA-N	303.450	3.391	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CC(C)(C)c3c(Cl)cccc32)cn1	746817570	OAKGHSSBGLEZIM-BQYQJAHWSA-N	315.804	3.411	10	20	DGCD	
CCc1nc2cc(NC(=O)NCc3ccccc3O)ccc2o1	748459361	GEYFDOYKBPQJDR-UHFFFAOYSA-N	311.341	3.418	10	20	DGCD	
COc1cc(N(C)CCCOC(C)(C)C)cc(OC)c1OC	756882863	MBHMFKWLGIDKSP-UHFFFAOYSA-N	311.422	3.354	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(C)ncn2)cc1F	756989906	IOWBAMNDUYWBIM-UHFFFAOYSA-N	302.397	3.060	10	20	DGCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)c1ccc(Cl)cc1	758545754	BWPMDRKQIZYSGX-SECBINFHSA-N	320.728	3.179	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1	762612193	CXCPGSFRCPLDJL-OAGGEKHMSA-N	308.516	3.222	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1	766583957	LTTCTHFPCFIHFI-YZVOILCLSA-N	301.478	3.276	10	20	DGCD	
CCc1ccccc1CCOC(=O)/C=C\c1ccc(O)c(O)c1	768774877	NOOMKAOYBBYKLF-NTMALXAHSA-N	312.365	3.459	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CCC1CC1	768970090	SMNKIKUCHGFWAJ-CQSZACIVSA-N	303.450	3.439	10	20	DGCD	
C[C@@H](NC(=O)NCc1cccc(O)c1)c1ccc(N(C)C)cc1	773364641	RSOYTCWIOBKGEJ-CYBMUJFWSA-N	313.401	3.019	10	20	DGCD	
C[C@H]1CCCC[C@H]1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773744862	FLUGWYMZKOMURS-GUTXKFCHSA-N	305.418	3.361	10	20	DGCD	
Cc1cccc(C)c1OC[C@@H](O)CN[C@@H](C)c1ccccc1O	775128389	AQLKTRORXNZVNL-HOTGVXAUSA-N	315.413	3.100	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@@H]1COC2(CCCCC2)O1	776496711	KZBGJLVMRHJYEQ-GFCCVEGCSA-N	311.809	3.211	10	20	DGCD	
CC(C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccs1	779517842	GJLPTTDTTSFBJB-VURMDHGXSA-N	303.383	3.224	10	20	DGCD	
Oc1ccc(Br)cc1CNc1cccc2c1OCO2	782381583	OFCVLCDRKPDKHM-UHFFFAOYSA-N	322.158	3.496	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1CCCc2ccc([N+](=O)[O-])cc21	783975476	AHVPMIRDCMBOBQ-FNORWQNLSA-N	323.352	3.291	10	20	DGCD	
CNC(=O)c1ccc(CN[C@H](C)c2c(C)cc(C)cc2O)cc1	788521793	YPPOQHHHJGPPNU-CQSZACIVSA-N	312.413	3.219	10	20	DGCD	
CN(CCNCc1c(O)ccc(Cl)c1F)c1ccccc1	790949907	KGNSYVWRQYKABR-UHFFFAOYSA-N	308.784	3.411	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCc1ccc2[nH]ccc2c1	799717436	FGGBWKGXPLAXFF-UHFFFAOYSA-N	323.396	3.258	10	20	DGCD	
C=Cc1ccc(CCNCc2ccc(N3CCOCC3)cc2)cc1	812772229	BOTJPCQUCYERQF-UHFFFAOYSA-N	322.452	3.499	10	20	DGCD	
CC[C@H](NCc1cc(Cl)c(F)cc1O)C1CCOCC1	816556294	FJULCMJQEUWLTN-AWEZNQCLSA-N	301.789	3.480	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@]3(CCCN(C)C3)C2)cc1	816641727	CZYSSJHCWPUTLK-HXUWFJFHSA-N	315.505	3.451	10	20	DGCD	
COC1CCN(c2ccc(CN3CC[C@@H](SC)C3)cc2)CC1	830888993	LJHJRLUNWOPLFV-GOSISDBHSA-N	320.502	3.239	10	20	DGCD	
CC(C)O[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	838559113	KCUIDYXADAXMDZ-UNEWFSDZSA-N	319.449	3.069	10	20	DGCD	
CCOCc1cc(CNCCc2ccc(N)cc2)ccc1OC	841036577	WGBZBHUPHBQSON-UHFFFAOYSA-N	314.429	3.146	10	20	DGCD	
COc1ccc(CN2CCCc3cc(CN)ccc32)c(OC)c1	843057721	SDOAKIIGHAMTPE-UHFFFAOYSA-N	312.413	3.115	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC[C@H]([C@H]2CCCNC2)C1	843126043	FFULDVJIRJXCNT-KBPBESRZSA-N	308.853	3.257	10	20	DGCD	
OCC[C@H](NCc1cccc(Cl)c1O)c1ccccc1F	843429322	ARAVBRWNZMGSFT-HNNXBMFYSA-N	309.768	3.398	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cn3ccc(C)cc3n2)c1O	846145692	OFYRHGBYAAPNLT-CYBMUJFWSA-N	311.385	3.208	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H]2CCCN(CC(C)C)C2)c1O	846155982	JLEDUOVQPXTYOO-JKSUJKDBSA-N	320.477	3.419	10	20	DGCD	
C[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1O	848558125	JUODOSFDTFWGBD-MEDUHNTESA-N	314.360	3.135	10	20	DGCD	
CCOCc1cc(CNC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)ccc1OC	850391890	CQLRLKDHISENJW-USJZOSNVSA-N	301.430	3.366	10	20	DGCD	
Cc1cc(O)c(CNC[C@H]2CCCN(CC3CC3)C2)cc1C	853093059	AONGTRMGSCMCSO-QGZVFWFLSA-N	302.462	3.221	10	20	DGCD	
CCCOc1ccc(CNC[C@@H](CC2CC2)C(=O)O)cc1C	871874276	KAZBFEZKILESNH-MRXNPFEDSA-N	305.418	3.374	10	20	DGCD	
COc1ccccc1O[C@@H](C)CNCc1ccc(C)cc1O	877073701	QSQBXBWLGHMXLZ-AWEZNQCLSA-N	301.386	3.266	10	20	DGCD	
COc1ccc(CCNCc2cc(C)cc(OC)c2O)cc1	894148803	FRCAAZKHXBZNOM-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@@H](C[C@H]2CCOC2)C1	894779606	JOMOWKGADABWTD-QWHCGFSZSA-N	311.372	3.309	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ncc(C(=O)O)s1	901911835	OBNSLLUANGFWSE-NSHDSACASA-N	319.430	3.067	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@H](C)N(C)C)c2C)c1	914880150	VVRGFYCFKRADJA-HNNXBMFYSA-N	313.445	3.082	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1O	926919820	GCACKIPEOJFHFH-JQWIXIFHSA-N	320.330	3.209	10	20	DGCD	
Cc1cc(CN2CCn3nc(C4CC4)cc3C2)ccc1N(C)C	932604046	INBVIWCNOMHCMW-UHFFFAOYSA-N	310.445	3.151	10	20	DGCD	
COC(=O)c1cnc(SCc2nc(C)sc2C)s1	1324428138	HFSCNSYJLOGREJ-UHFFFAOYSA-N	300.430	3.295	10	20	DGCD	
Cc1ccc(O)c(CNS(=O)(=O)CCC2CCCCC2)c1	1334976540	VQUIFUMKFKWSLS-UHFFFAOYSA-N	311.447	3.090	10	20	DGCD	
Cc1cc(C(=O)O)ccc1NC(=O)N[C@@H](C)c1ccccc1O	1600122313	CSIVHOYIKAIFHY-NSHDSACASA-N	314.341	3.282	10	20	DGCD	
Cc1ccc(/C=C\C(=O)N2CC[C@H](C(=O)O)c3ccccc32)cn1	1600398343	OEDVSPGYQRPHOU-QWGSZXSUSA-N	322.364	3.008	10	20	DGCD	
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nccs2)c1C	52913974	PGBIVBYBXHRRGX-VIFPVBQESA-N	324.427	3.238	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCO[C@H](C)C1	171009790	GCKHZXJNQPCPNJ-CQSZACIVSA-N	318.442	3.407	10	20	DGCD	
CC[C@H](OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	68179123	CMULLNHKXJAQQQ-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
Cn1c(-c2ccc(N3CCOCC3)cc2)nc2ccc(F)cc21	178976267	XCUPSMBIQDPYJA-UHFFFAOYSA-N	311.360	3.216	10	20	DGCD	
C[C@H](N[C@@H]1COc2ccccc2C1)c1ccc(F)c(F)c1O	187676381	NOYCHGZSLQLJHW-JQWIXIFHSA-N	305.324	3.325	10	20	DGCD	
CCC[C@](C)(O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	125513829	LIEUPOILEQGFBW-IBGZPJMESA-N	318.461	3.090	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@H](C)c2ccccc2)cc1F	121756168	BXWIMPVLOIQWGN-CYBMUJFWSA-N	316.376	3.148	10	20	DGCD	
C[C@H](NC[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O	183633785	JJXAZJNFMUQFJJ-WFASDCNBSA-N	320.433	3.346	10	20	DGCD	
COc1cc(O)c(CNC23CC4CC(CC(C4)C2)C3)cc1OC	180045661	BJIIWBUHHPRNQL-UHFFFAOYSA-N	317.429	3.468	10	20	DGCD	
CS[C@H]1CCCCN(Cc2cc(F)cc(C(C)=O)c2O)C1	134564038	NYVHCYBSJJHUCQ-AWEZNQCLSA-N	311.422	3.451	10	20	DGCD	
CCN(CCC(C)(C)O)Cc1cc(Br)ccc1O	267353634	BJYQEFAFHOVECS-UHFFFAOYSA-N	316.239	3.138	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cccnc1	364551668	XKSRZZARYXLBBX-DLBZAZTESA-N	310.397	3.330	10	20	DGCD	
COc1ccc(N2CCC(NCC(C)(C)C[C@@H](C)O)CC2)cc1	362304796	QTQSXDMAKVKZCG-OAHLLOKOSA-N	320.477	3.051	10	20	DGCD	
C[C@@](O)(CNCc1cccc(Cl)c1O)c1ccc(F)cc1	271801712	JBOTYVGKNHNZBL-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@H]2COC3(CCCC3)O2)c(O)c1	285304482	SGAZFFRMOZDUSL-HUUCEWRRSA-N	305.418	3.345	10	20	DGCD	
COc1ccc(N(CCC(C)C)C[C@@H](O)CN(C)C2CC2)cc1	809999147	CKFPLXYOCQHDMY-SFHVURJKSA-N	320.477	3.003	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[C@@H](CO)C1	295621709	ZQKBGLSUBLOQPA-KGLIPLIRSA-N	318.442	3.046	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2coc3ccccc23)c1	802782871	AGCGIAQRVKCCQP-UHFFFAOYSA-N	311.337	3.006	10	20	DGCD	
C[C@H](NCCC(C)(C)CO)c1ccc(Br)cc1O	296442573	MISDCPUQVJAYMD-JTQLQIEISA-N	316.239	3.214	10	20	DGCD	
COc1cccc(CNCc2ccnc(C(F)(F)F)c2)c1O	294957325	DMMFJHBNDHVGPC-UHFFFAOYSA-N	312.291	3.104	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H](CO)Cc1ccccc1	391549291	RZZMOPOJTCGOSW-USXIJHARSA-N	311.425	3.442	10	20	DGCD	
COCC(C)(C)CN[C@H](C)c1cc(Br)ccc1O	813882520	AKQNZJRVQUZLTD-SNVBAGLBSA-N	316.239	3.478	10	20	DGCD	
C[C@H](N)c1ccc(C(=O)NCCCSc2nccs2)cc1	817940891	LXXHDAQXBKPSCS-NSHDSACASA-N	321.471	3.075	10	20	DGCD	
CCCC1(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	819584896	SZPGAEXWSQRXKN-OAHLLOKOSA-N	316.445	3.218	10	20	DGCD	
CC[C@H](NC[C@@H](C)N(C)C)c1ccc(C(F)(F)F)cc1O	810216343	SZLQRDYUETZFQD-MFKMUULPSA-N	304.356	3.402	10	20	DGCD	
COc1cc(Cl)cc(C(=O)N(C)Cc2ccccc2O)c1	815797043	YWGDJDVMBXRZBK-UHFFFAOYSA-N	305.761	3.326	10	20	DGCD	
CCn1ccnc1[C@@H](C)NCc1cc(Br)ccc1O	825005362	IJZRDJLNIQVYPX-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
C[C@@H](COCC(=O)N[C@H](C)c1ccccc1O)c1ccccc1	827952379	QDUZRLLILNXAFK-LSDHHAIUSA-N	313.397	3.390	10	20	DGCD	
CCn1cc(-c2n[nH]cc2C(=O)N2C[C@H](C)c3ccccc32)cn1	495013876	AFTQOGIPGQJWKS-LBPRGKRZSA-N	321.384	3.057	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(Cl)nc1F)c1ccc(N(C)C)cc1	907493235	PBWSQEBLVDIQLU-SNVBAGLBSA-N	321.783	3.431	10	20	DGCD	
O=C(CCN(Cc1ccccc1O)C1CCCC1)N1CCCC1	838846358	IMGJPDXYMXMSBJ-UHFFFAOYSA-N	316.445	3.149	10	20	DGCD	
CC[C@@H](N[C@@H](C)Cc1cnn(C)c1)c1ccc(N(C)C)cc1	834895632	CKMCHVRHOYFPNP-KBXCAEBGSA-N	300.450	3.158	10	20	DGCD	
CC1(c2ccccc2)CCN(C(=O)Cc2ccc(N)cc2)CC1	831443539	KURMOPPWVKPLIC-UHFFFAOYSA-N	308.425	3.392	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)NOC3CCC3)cc2)CC1	836288984	CPYCEZFZJRUAAB-UHFFFAOYSA-N	317.433	3.206	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@H]2CCCC2(C)C)c(O)c1	836492081	CQJKMXHNTYMOHL-CYBMUJFWSA-N	306.406	3.026	10	20	DGCD	
Fc1cc(CNC[C@H]2CC=CCC2)cc(F)c1N1CCOCC1	839146787	VGADMMZBHISWNR-AWEZNQCLSA-N	322.399	3.247	10	20	DGCD	
C[C@@H](NCCCOC[C@H]1CCCO1)c1ccc(Cl)cc1O	841745352	YFOBSPMWRZPJGV-TZMCWYRMSA-N	313.825	3.282	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](CO)c2ccc(F)cc2)c(O)c1	840882049	SEHREWHBQPPTDP-ZFWWWQNUSA-N	303.377	3.266	10	20	DGCD	
CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)c1ccc(F)cc1O	840845602	BZUCFLCHYGCKEV-ONUMYQOESA-N	301.361	3.494	10	20	DGCD	
CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1C[C@H]1C	840756820	CVZIQXWUVBPWJK-IFIJOSMWSA-N	324.415	3.326	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H]2CCN(CC(F)F)C2)c1O	841761736	KLNYNFXAJKXEAT-PWSUYJOCSA-N	318.795	3.344	10	20	DGCD	
CCOCc1cc(CNCc2cc(C)cc(N)c2)ccc1OC	841070718	HSIICCPZBSAXCK-UHFFFAOYSA-N	314.429	3.412	10	20	DGCD	
C[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1	841739540	HUIDFLGMTHBKPD-CYBMUJFWSA-N	315.392	3.053	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1cnnn1-c1ccccc1	924901794	VELVUBQUKAHAOL-AWEZNQCLSA-N	320.396	3.053	10	20	DGCD	
CCOc1cc(CN[C@H](C)c2cc(OC)ccc2O)ccc1O	756683358	MJPFNHYMVSOUSU-GFCCVEGCSA-N	317.385	3.356	10	20	DGCD	
O=C(NCCCSc1nccs1)N1[C@H]2CCC[C@H]1CC2	759602172	ROMNEDSTRMKALY-RYUDHWBXSA-N	311.476	3.352	10	20	DGCD	
CCc1ccc(CCOC(=O)/C=C\c2ccc(O)c(O)c2)cc1	759592333	FXKFVVGLJNQJJJ-NTMALXAHSA-N	312.365	3.459	10	20	DGCD	
c1cc2c(cc1CNCC1CCN(CC3CC3)CC1)CCCO2	922268586	NEABLMRABKXZLO-UHFFFAOYSA-N	314.473	3.223	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H](CC(C)(C)C)C(=O)O)cc1F	864507450	NTQSHXKXSXTPCG-ZDUSSCGKSA-N	314.376	3.010	10	20	DGCD	
COC(C)(C)c1nsc(NCc2ccc(N(C)C)cc2)n1	865296283	UCFHCVVFPLXABM-UHFFFAOYSA-N	306.435	3.098	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc2ccccc2c1O	760886936	OZHBLXJQCHXTLI-JEBQAFNWSA-N	315.413	3.390	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2cc(OC)ccc2O)C12CCCC2	776224581	UKBWLULIUNRRQB-DLBZAZTESA-N	305.418	3.228	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)NCCC1=CCCCC1	879648728	AVPRYRHQSNPAIF-HUUCEWRRSA-N	316.445	3.438	10	20	DGCD	
COc1cccc(N2CC[C@@H](NCc3ccc(C)cc3O)C2)c1	877005265	QJSLGJGAEHKZOD-MRXNPFEDSA-N	312.413	3.078	10	20	DGCD	
CC[C@H](C)[C@H](CN(C)Cc1ccc(N2CCOCC2)cc1)OC	876551288	OLWFFJGUMGYYLU-LPHOPBHVSA-N	320.477	3.016	10	20	DGCD	
CCOc1ccc(CNc2cccc(OC)c2OC)c(O)c1	886275551	DJVAZPNFWWZSGB-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
CC(C)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nn1C	773028031	XOGTZHJFHLJCJY-CYBMUJFWSA-N	314.433	3.101	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCO[C@@H](c2ccccn2)C1	883136957	SQTJPEBNDMZKOP-CZUORRHYSA-N	320.339	3.075	10	20	DGCD	
C[C@@H](NCc1ccc([S@](C)=O)cc1)c1c(O)cccc1F	886550110	SKELGYGHIPOBAJ-FIKIJFGZSA-N	307.390	3.120	10	20	DGCD	
C[C@@H]1CC[C@@H]1N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	783244265	FOSUAYNJBVDWKD-KCXAZCMYSA-N	308.853	3.398	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCCC1OCCO1	781167647	SGPWTVADRARFON-UHFFFAOYSA-N	321.398	3.075	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1O	894312652	LXZSZCGUHJFOIW-XYPHTWIQSA-N	305.418	3.002	10	20	DGCD	
C[C@H](NCC1CCN(C)CC1)c1cccc(C(F)(F)F)c1O	798182350	HCQQGVMWXDBLIJ-NSHDSACASA-N	316.367	3.403	10	20	DGCD	
CCOc1ccc(CN2CCCC3(CCN(C)CC3)C2)c(O)c1	798957137	WBTGLRDFFDOEQA-UHFFFAOYSA-N	318.461	3.099	10	20	DGCD	
COc1cc(Br)cc(CNC(C)(C)CF)c1O	1320466642	OGDVMFNUQKHDFV-UHFFFAOYSA-N	306.175	3.001	10	20	DGCD	
CC[C@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O	189999047	SHTGTISOAGFANH-JSGCOSHPSA-N	308.422	3.346	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C(C)(C)C3CC3)CC2)cc1	1324320329	UDZPIJCARNSEHT-UHFFFAOYSA-N	316.445	3.170	10	20	DGCD	
C[C@@H]1[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1(F)F	1347013837	GIDFBAMUCAYFEM-ABAIWWIYSA-N	321.323	3.415	10	20	DGCD	
CCC(CC)(CN)C(=O)NCc1cc(Cl)cc(Cl)c1O	1577051541	UQAUVVMSTZZCGY-UHFFFAOYSA-N	319.232	3.080	10	20	DGCD	
CC(F)(F)CCCN(CC(=O)O)Cc1cc(Cl)ccc1O	1592939121	MXDUPORECJNKRD-UHFFFAOYSA-N	321.751	3.368	10	20	DGCD	
C[C@H](NCCN1[C@H](C)CCC[C@H]1C)c1cc(C(=O)O)ccc1O	1593266445	DPLGSKOCQOGONO-MCIONIFRSA-N	320.433	3.004	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cc(C(=O)O)c(C)[nH]1	1599628398	KWOHHSVJTCHTPS-UHFFFAOYSA-N	314.385	3.373	10	20	DGCD	
Cc1ccc(OCC(=O)NCc2ccc(N(C)C)cc2)cc1C	18215131	KFHDUKSPCVYCHI-UHFFFAOYSA-N	312.413	3.065	10	20	DGCD	
CC[C@@H]1CCC[C@@H](NC(=O)NCc2cc(OC)ccc2O)C1	155126437	HUANMHULUQJYAR-TZMCWYRMSA-N	306.406	3.169	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(Cl)ncc1Cl	121753366	JICQTZIRIOPOMJ-UHFFFAOYSA-N	311.168	3.366	10	20	DGCD	
COC1(CCNCc2c(O)cccc2Br)CCC1	706885313	XISJAULVKMGPDK-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
Cc1cccc(O)c1CNCC1(NC(=O)OC(C)(C)C)CCC1	877308077	OPGVKZKRSJXDHP-UHFFFAOYSA-N	320.433	3.238	10	20	DGCD	
CN(Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)ccc1O	93712258	CMTSFWDMPCKCLR-OAQYLSRUSA-N	323.845	3.415	10	20	DGCD	
COc1cccc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c1O	93769002	OPUDFSHLPALCOE-BLLLJJGKSA-N	319.426	3.424	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCCCO1	111592983	PQXBMXITEDODCI-MRXNPFEDSA-N	305.418	3.480	10	20	DGCD	
CC(=O)N(C)C1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1	128757802	VVPLPKPWSKHVDD-UHFFFAOYSA-N	318.461	3.267	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1	157501239	BWFYZSFQCMAUJG-UHFFFAOYSA-N	306.425	3.427	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cc2ccc(Cl)cc2[nH]1	158879070	PKRJPOPKNCEJNV-UHFFFAOYSA-N	316.744	3.163	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2c(F)cc(F)cc2F)cc1	174249205	YHPQYEIPLVSQHA-UHFFFAOYSA-N	323.318	3.492	10	20	DGCD	
COc1ccc(N(C)Cc2ncnn2CC(C)C)cc1Cl	182844405	AFWUNDYXOATNHN-UHFFFAOYSA-N	308.813	3.233	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)nc1)c1cc(F)ccc1O	184984461	CZVNAEGJMWDARV-ZDUSSCGKSA-N	315.392	3.377	10	20	DGCD	
CC[C@H](NCCNC(=O)c1cccc(C)c1)c1ccccc1O	274960045	WLAMRPNXRLHYGM-KRWDZBQOSA-N	312.413	3.171	10	20	DGCD	
Oc1cc2c(cc1CN[C@@H]1CCCc3ccc(F)cc31)OCO2	279636815	CMINTEVWYLXHBO-OAHLLOKOSA-N	315.344	3.427	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1cn[nH]c1	280216450	IOTIGNUQIGEXAS-SNVBAGLBSA-N	312.339	3.345	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1	281139804	OFIQQPTWKQKRQE-MRXNPFEDSA-N	324.424	3.186	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CCCC(F)(F)C2)c1	282076338	QXHZESUOEMOUSN-JTQLQIEISA-N	300.305	3.216	10	20	DGCD	
CC[C@H](NCCC1(O)CCOCC1)c1cccc(Cl)c1O	287108516	QKNYQRHMDUTZQP-AWEZNQCLSA-N	313.825	3.018	10	20	DGCD	
C[C@@H](CCO)NCc1ccc(N(C)Cc2cccs2)cc1	294958582	CJQIFHXIHQWOTR-AWEZNQCLSA-N	304.459	3.245	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H](O)c1ccc(Cl)cc1)CC2	296240651	ATCKIEUGYGVTPQ-GDBMZVCRSA-N	303.789	3.356	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccnc(Cl)c3)CC2)cc1	299645948	RDCWLOJHINFRAH-UHFFFAOYSA-N	317.820	3.066	10	20	DGCD	
Oc1cccc(Cl)c1CNCC(F)(F)Br	308923853	JUBKJHNDIRYSLV-UHFFFAOYSA-N	300.530	3.123	10	20	DGCD	
C[C@@H](N[C@@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1O	317536500	KXOWZZOBFOXUKX-WBMJQRKESA-N	305.397	3.493	10	20	DGCD	
Cc1c(CNCc2cn(C)nc2C(F)F)n(C)c2ccccc12	361121527	HKZPEHYZXVCVMG-UHFFFAOYSA-N	318.371	3.448	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1N[C@H]1CCc2cccc(O)c21	389854500	YNSWJNCBMVAJPH-AYOQOUSVSA-N	322.452	3.490	10	20	DGCD	
COC(C)(C)CN(C)Cc1cc(Br)cc(C)c1O	404326294	SSWCRVJJPQEKCI-UHFFFAOYSA-N	316.239	3.320	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(Br)cc2O)CS1	691408575	YVHRTESXWBTDJH-GZMMTYOYSA-N	302.237	3.138	10	20	DGCD	
Cc1cccc(CCNCc2c(O)cccc2Br)n1	706863519	KOTJICKTRIUZRE-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
CCC[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccccn1	729612219	COFGMUZTQHHVJH-INIZCTEOSA-N	313.401	3.470	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2cn[nH]c2)cc1	733980586	GPXMMOGXJBQCFL-UHFFFAOYSA-N	308.385	3.089	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cn1nccc1-c1cccnc1	745436437	BZVCMBSLDAOZOE-UHFFFAOYSA-N	321.428	3.101	10	20	DGCD	
C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1O	756382913	GTARAGMUOIZKLS-PSLIRLAXSA-N	311.303	3.194	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2cnn(-c3ccccn3)c2)c1	756856837	LRBLGLIBFKEQMX-GFCCVEGCSA-N	310.357	3.155	10	20	DGCD	
C[C@H](CC(F)(F)F)NCc1cc(Cl)cc([N+](=O)[O-])c1O	766479810	PLZICSLHODRXKZ-ZCFIWIBFSA-N	312.675	3.384	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)cc1	769514287	IUHPXLHSQTWUQL-MSOLQXFVSA-N	302.462	3.391	10	20	DGCD	
C[C@@H](N[C@@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1	773103835	LTIIGNWMGMEGLJ-CRAIPNDOSA-N	302.462	3.489	10	20	DGCD	
CCN(C)c1ccc(CN2CCN(Cc3ccco3)CC2)cc1	773734984	VIVQOYZWIYNYMS-UHFFFAOYSA-N	313.445	3.054	10	20	DGCD	
C[C@H](NC(=O)c1ccc(F)cc1O)c1ccc(N(C)C)cc1	775410103	JPWHAUFGVHCCQL-NSHDSACASA-N	302.349	3.088	10	20	DGCD	
CCCC[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC	775978266	FEHZOAPOXVRPRV-LBPRGKRZSA-N	303.761	3.006	10	20	DGCD	
C[C@H](NCC1(N(C)C)CCC1)c1cc2c(cc1O)CCCC2	783313902	HMELKSNAGQIXPF-AWEZNQCLSA-N	302.462	3.406	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)C[C@H](C)O)c1C	783628251	APEKNOVFTJWZKR-ZFWWWQNUSA-N	314.429	3.292	10	20	DGCD	
C[C@H](CNCc1c(O)ccc(Cl)c1F)N1CCCCC1	790954784	YJHMZUCCBSUWAR-LLVKDONJSA-N	300.805	3.149	10	20	DGCD	
C[C@@H]1COCCCN1Cc1ccc(N(C)C)cc1C(F)(F)F	792827826	FKKDRBOKKOSEAD-GFCCVEGCSA-N	316.367	3.382	10	20	DGCD	
CC(C)(C)OCCCC(=O)NCCCSc1nccs1	796411704	BJCUTOROPKIXBG-UHFFFAOYSA-N	316.492	3.337	10	20	DGCD	
COC1(CC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1	807839530	GYGNTLOOHAFZHU-UHFFFAOYSA-N	318.200	3.274	10	20	DGCD	
CCOc1ccc(CN2CCCC[C@H]2c2cc[nH]n2)c(O)c1	809693730	ZWBVVHCGHKJDAG-INIZCTEOSA-N	301.390	3.241	10	20	DGCD	
C[C@@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1cc(F)cc(F)c1O	813874360	AEDKTZBITIOWBN-XSLLRJJBSA-N	311.372	3.262	10	20	DGCD	
C[C@@H](N[C@H]1CC[C@H](O)CC1)c1cccc(C(F)(F)F)c1O	815598154	NVIGGBIPJRHITN-GMTAPVOTSA-N	303.324	3.365	10	20	DGCD	
Cc1nccn1C[C@H](C)CNCc1cc(Cl)c(F)cc1O	816532621	OXWQZKCTNLJVHP-SNVBAGLBSA-N	311.788	3.116	10	20	DGCD	
CC1(C)CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817937194	UWIKCYSYOBSGAE-UHFFFAOYSA-N	315.442	3.188	10	20	DGCD	
Cc1ccc2c(c1)[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)CC2	817938030	BRQWZFFBYHFRBP-VQTJNVASSA-N	309.457	3.338	10	20	DGCD	
C[C@@H](Nc1cccc(CCO)c1)c1cc([N+](=O)[O-])ccc1O	834910943	GWTFYDDVUORQST-LLVKDONJSA-N	302.330	3.008	10	20	DGCD	
CCO[C@@H]1C[C@H](NCCCSc2nccs2)[C@H]1SC	838963466	VOGCUJWLSCTENL-QJPTWQEYSA-N	318.533	3.124	10	20	DGCD	
Cc1nn(-c2ccccc2)c(C)c1CNCCc1ccc(N)cc1	841035714	HMSMYDUSTRHVMZ-UHFFFAOYSA-N	320.440	3.404	10	20	DGCD	
C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)cc1O	841745281	PJHDAKUMMHNIFG-PZDALLCQSA-N	303.789	3.355	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@H]2c2cccs2)cc1	841963365	ZUJYDHVATWMQRD-HNNXBMFYSA-N	315.442	3.420	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]2[C@H]2CCCOC2)c1O	843415908	FAHHJNPLMLMLKX-HOTGVXAUSA-N	305.418	3.182	10	20	DGCD	
COc1ccc(CNC[C@@](C)(C(=O)O)c2ccccc2)cc1C	844940514	WDYZVXBZNCTTMD-LJQANCHMSA-N	313.397	3.136	10	20	DGCD	
COc1ccc2c(c1)[C@@H](C(=O)NCc1ccccc1O)CCC2	847590158	VMNJUECTEMAJCA-INIZCTEOSA-N	311.381	3.137	10	20	DGCD	
COc1cc(CNCc2cc(C)ncn2)c(O)c(C(C)(C)C)c1	850227022	VSWAERHFWVQJJS-UHFFFAOYSA-N	315.417	3.087	10	20	DGCD	
COCc1csc(CN[C@@H](C)c2cccc(OC)c2O)c1	850533279	URCKWOGDOQPHFR-NSHDSACASA-N	307.415	3.460	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1O	868460960	IBVBZADYOCRQAH-DVOMOZLQSA-N	320.433	3.346	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCCC3=O)cc2)c(O)c1	876901925	KFJMQSKJNXABJC-UHFFFAOYSA-N	310.397	3.117	10	20	DGCD	
COc1ccc(CN[C@H](C)[C@@H](OC)c2ccccc2)c(O)c1	877493831	PDDBSXZVMRTFKC-FZKQIMNGSA-N	301.386	3.267	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@@H](OCc2ccccn2)C1	877645507	NJTBFSOUCOAMFE-OAHLLOKOSA-N	318.804	3.232	10	20	DGCD	
CCOC(=O)c1cc(CN[C@H](C)c2ccccc2O)[nH]c1C	877755769	MEGSCCBIAZUHMF-LLVKDONJSA-N	302.374	3.056	10	20	DGCD	
C[C@H](NCc1ccc([S@@](C)=O)cc1)c1c(O)cccc1F	886550112	SKELGYGHIPOBAJ-WIUDPPPLSA-N	307.390	3.120	10	20	DGCD	
c1cc([C@H]2C[C@H](NCc3ccc4c(c3)CCCO4)CCO2)ccn1	922164746	WWMYTSWHEWBRSQ-UYAOXDASSA-N	324.424	3.417	10	20	DGCD	
OCC[C@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1	1116920651	FTUFYAJEEXXQME-HXUWFJFHSA-N	324.468	3.370	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC2(CCC2)O1	1328505354	ZNVLIUQNLXTXNK-MRXNPFEDSA-N	300.446	3.430	10	20	DGCD	
C[C@@H](NCc1cc(Cl)ccc1O)c1ncc(C(=O)O)s1	1593293276	SYFDRZBIOJOGNU-SSDOTTSWSA-N	312.778	3.051	10	20	DGCD	
C[C@H](NCc1[nH]cc(C(=O)O)c1C1CC1)c1ccccc1O	1599901856	ZGSLNDIBJXDBCN-JTQLQIEISA-N	300.358	3.147	10	20	DGCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CC=CCC1	1602056950	FAQZICMYAKFJFF-GFCCVEGCSA-N	309.793	3.289	10	20	DGCD	
O=C(O)CC1(CN(Cc2ccccc2O)C2CCCC2)CC1	1608677654	FPYWPOHLHJNKLC-UHFFFAOYSA-N	303.402	3.392	10	20	DGCD	
CCN1CCc2cc(CN[C@@H]3CCC[C@@H](C(=O)O)CC3)ccc21	1776877511	PANPZQQHDFIUKP-NVXWUHKLSA-N	316.445	3.192	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)cc1	45449238	ZWCHIAWWUJMEGK-JKSUJKDBSA-N	312.413	3.344	10	20	DGCD	
CCOc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	60678562	VRZINSYWLYJMLR-UHFFFAOYSA-N	312.413	3.424	10	20	DGCD	
COc1cccc(CNC(=O)CCc2c[nH]c3ccccc23)c1O	68488772	UBEHDQSVGUUTNI-UHFFFAOYSA-N	324.380	3.131	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Cl)nc1	98018478	QHANIUJJWALTPS-FLIBITNWSA-N	307.806	3.191	10	20	DGCD	
CCS[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C	104900724	GLJMYYILDODKHN-NHYWBVRUSA-N	311.447	3.356	10	20	DGCD	
COc1ccc(N2CCC(NC3C[C@@H](C)O[C@H](C)C3)CC2)cc1	119435128	UCIAODUGTNJMJZ-HUUCEWRRSA-N	318.461	3.210	10	20	DGCD	
C[C@H](c1cccnc1)N(C)C(=O)NCc1ccc(N(C)C)cc1	126865914	AVIADGJIXNGWFK-CQSZACIVSA-N	312.417	3.050	10	20	DGCD	
COc1ccc(N(CCn2cccn2)Cc2ccco2)cc1F	172653525	FOVAPNWSAAIEBY-UHFFFAOYSA-N	315.348	3.331	10	20	DGCD	
C[C@H]1CC[C@H](CCC(=O)NCCCSc2nccs2)O1	173561502	JGCKMVVMSXJLHM-NWDGAFQWSA-N	314.476	3.089	10	20	DGCD	
O=C(C[C@H]1CCCO1)N(Cc1ccco1)Cc1ccccc1O	173673447	VBTBJWFQERREHZ-OAHLLOKOSA-N	315.369	3.083	10	20	DGCD	
COc1cccc(CNC(=O)NC2[C@@H](C)CCC[C@H]2C)c1O	175819204	AMELHMVQRKZJDB-ODOQXGPZSA-N	306.406	3.025	10	20	DGCD	
COc1ccc(CN(C)Cc2cccc(Cl)c2O)cc1O	179832482	SHDKBBLGMSPTRW-UHFFFAOYSA-N	307.777	3.392	10	20	DGCD	
CC(C)(C)Oc1ccc(CNCc2cc(F)ccc2O)cn1	181128525	TVBIVASIIDAZML-UHFFFAOYSA-N	304.365	3.393	10	20	DGCD	
Cc1occc1SCC(=O)NCc1ccc(N(C)C)cc1	181278519	SGADWGWBWLLLBS-UHFFFAOYSA-N	304.415	3.063	10	20	DGCD	
CCC[C@H]1C[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	183569748	WHVXZFUHZJQHTL-CABCVRRESA-N	322.424	3.103	10	20	DGCD	
C[C@H](N[C@H](C)C[S@](C)=O)c1ccc(N2CCCCC2)cc1	184292345	WSQMBPDCSKALRN-WIEQDCTASA-N	308.491	3.095	10	20	DGCD	
C[C@@H](NCCNC(=O)c1ccco1)c1ccc2ccccc2c1O	184917156	WWOBQBBESPFWRR-CYBMUJFWSA-N	324.380	3.219	10	20	DGCD	
CC(C)COC[C@H](O)CN[C@@H](C)c1ccc2ccccc2c1O	185117110	IINQSKHSAFUOST-GOEBONIOSA-N	317.429	3.230	10	20	DGCD	
CCc1ccc(C(=O)CCC(=O)NCCc2ccc(N)cc2)cc1	237132808	OSPWDJDCQIVMAL-UHFFFAOYSA-N	324.424	3.153	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCCN2CCC[C@H]2C1	250738686	IXNNXTVDEDUUDP-ZDUSSCGKSA-N	315.244	3.369	10	20	DGCD	
Cc1ccc(O)c(CN(C)Cc2c(C)nc3sccn23)c1	271176041	WTSXWJLAZNTQIW-UHFFFAOYSA-N	301.415	3.350	10	20	DGCD	
C[C@H](NCC1(CO)CC2(CCC2)C1)c1ccc(F)c(F)c1O	278819972	ODKPFYIQYPPNGB-NSHDSACASA-N	311.372	3.264	10	20	DGCD	
CC(C)(C)c1cnc(SCc2ncnn2CCF)s1	281507080	SDKPVVMKEMXVEV-UHFFFAOYSA-N	300.428	3.294	10	20	DGCD	
CC[C@@H](N[C@@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1O	287724831	OSZUXXUOGSQDHH-BXUZGUMPSA-N	310.825	3.096	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCCC(C)(F)F)cc1	296512031	ZMEVMUVDBIOFJQ-UHFFFAOYSA-N	313.392	3.377	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)cc1F	362385651	DKJBCXZGWMKVQT-MRXNPFEDSA-N	316.424	3.135	10	20	DGCD	
COc1ccc2c(c1)CCN(Cc1cccc(OC)c1O)CC2	375533928	MFUVDDJCEMXMIA-UHFFFAOYSA-N	313.397	3.010	10	20	DGCD	
O=C(/C=C\c1cccc(O)c1)NCc1c(O)ccc2c1CCCC2	588537011	ACERSWWLCYOKHW-FLIBITNWSA-N	323.392	3.306	10	20	DGCD	
CCC[C@@](C)(O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	740747465	CKJJHEQGVXQBMJ-LJQANCHMSA-N	314.429	3.375	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CC[C@H](C)O1	743293414	YSNWNTFJLZCCAH-MAUKXSAKSA-N	318.461	3.449	10	20	DGCD	
C[C@H](NC[C@H](O)c1c(F)cccc1F)c1cc(F)ccc1O	756741860	XQDLROJHZYSICU-VFZGTOFNSA-N	311.303	3.194	10	20	DGCD	
CCc1cccnc1C(=O)NCCCSc1nccs1	766979051	MIKLXVHLFAMDPB-UHFFFAOYSA-N	307.444	3.013	10	20	DGCD	
CCOc1ccc(O)c(CN2CCc3ccc(O)cc3CC2)c1	769191933	SHKALPHZEHYATF-UHFFFAOYSA-N	313.397	3.097	10	20	DGCD	
CN(C)CCCC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	769499922	XTCFTINXSRSIEL-UHFFFAOYSA-N	321.484	3.446	10	20	DGCD	
CCc1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	773007791	KHZSIAQYSBDTOA-NSHDSACASA-N	303.431	3.263	10	20	DGCD	
CCC[C@]1(CO)CCCN1Cc1cc(Cl)cc(OC)c1O	775178232	SLCFGXQOODFFHU-MRXNPFEDSA-N	313.825	3.181	10	20	DGCD	
COc1ccc(OC)c(CCNCc2c(O)cccc2Cl)c1	776066730	LEXOZPJIBJWUKD-UHFFFAOYSA-N	321.804	3.395	10	20	DGCD	
O=[N+]([O-])c1ccc(OCCNCc2c(O)cccc2Cl)cc1	776169796	QBCHSDQEUPMMCO-UHFFFAOYSA-N	322.748	3.122	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCO[C@H](C(C)C)C3)c2c1	777969549	RWVGKFBZORIUBF-IBGZPJMESA-N	315.413	3.411	10	20	DGCD	
COC(=O)[C@@H]1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)[C@H]1C	787244140	MNSXTHHSNBPRRV-DZGCQCFKSA-N	319.445	3.382	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@H](O)COc2ccccc2)c(O)c1	788507887	SUPYIOADKVMTRN-CVEARBPZSA-N	315.413	3.100	10	20	DGCD	
O=C1COc2ccc(NCc3c(O)ccc(Cl)c3F)cc2N1	790950804	FIWXMJDYYFGASU-UHFFFAOYSA-N	322.723	3.128	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@@H]1CC[C@H](CC(=O)OC)[C@H]1C	793192045	OYHDWTGATJHLQX-QGPMSJSTSA-N	318.461	3.340	10	20	DGCD	
CC(C)(C)[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	794706329	OVZRDCCQHSSANP-CJNGLKHVSA-N	305.418	3.076	10	20	DGCD	
CC(C)[C@@H](O)CNCc1ccc2c(c1)CCN2Cc1ccccc1	796308330	GFGSBBXIZWIDPW-NRFANRHFSA-N	324.468	3.356	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)[C@@H](O)c2ccc(C)cc2)c(O)c1	796481519	IAAFTRJZQYVTDW-IFXJQAMLSA-N	315.413	3.311	10	20	DGCD	
COC(=O)CC1(CN(Cc2ccccc2O)C2CCCC2)CC1	799302486	MYBVXZKEGZUFAB-UHFFFAOYSA-N	317.429	3.480	10	20	DGCD	
CC(C)OC[C@@H](C)NCc1ccc(N2CCSCC2)cc1	800223023	OAJGIEDYOYGBJD-OAHLLOKOSA-N	308.491	3.143	10	20	DGCD	
CCCCN(Cc1ccccc1O)C[C@](C)(O)C(F)(F)F	801596206	STCTWTBMWYZNGM-AWEZNQCLSA-N	305.340	3.308	10	20	DGCD	
Nc1ncnc(NCc2cc(Cl)cc(Cl)c2O)c1Cl	808086917	LADLRPJFPZCDJL-UHFFFAOYSA-N	319.579	3.337	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C3CC3)C2)cc1	808487880	KLMQYPHWGQQGPH-MRXNPFEDSA-N	301.434	3.084	10	20	DGCD	
CN(CCN(C)C1CC1)Cc1ccc(N2CCCCC2)cc1	809755366	PSWXPEXPVXWEPX-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2cccc(Cl)c2F)c1	810404695	UXIRIKMZAZMACG-UHFFFAOYSA-N	323.751	3.052	10	20	DGCD	
Cc1ccc2c(c1)/C(=C\c1cc(O)ccc1[N+](=O)[O-])C(=O)N2C	811699970	BWNLHRYTSVDLIS-NTEUORMPSA-N	310.309	3.126	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@@H](C)COC)cc1F	812505514	OVQTUZNTGRMACA-KBPBESRZSA-N	324.440	3.207	10	20	DGCD	
O=C(CCNCc1cc(Cl)c(F)cc1O)Nc1ccccc1	816549070	CCAOASHZLITCKC-UHFFFAOYSA-N	322.767	3.303	10	20	DGCD	
COc1ccc(OC)c(NCc2cc(OC)c(OC)cc2O)c1	817405530	FXVAYLJWTAXLCJ-UHFFFAOYSA-N	319.357	3.039	10	20	DGCD	
CCOc1ccc(CN(CCOC)c2ccccc2)c(O)c1	825035053	AUYXEWKUTWOUDF-UHFFFAOYSA-N	301.386	3.444	10	20	DGCD	
Cc1cc(CN2CCC[C@@]2(C)CO)ccc1N1CCCCC1	828869015	YHKRMNHWWUXLIF-IBGZPJMESA-N	302.462	3.332	10	20	DGCD	
CN1CCCN(C(=O)c2cc(O)cs2)c2ccc(F)cc21	829451586	SGYKYMISUBFQJX-UHFFFAOYSA-N	306.362	3.080	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1CCC(C)(C)C1=O	839969317	NKYSIOKVWMJTLV-UHFFFAOYSA-N	317.477	3.179	10	20	DGCD	
Nc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1	841296144	PCYDKNVWQSAMJJ-SJORKVTESA-N	311.385	3.311	10	20	DGCD	
CC(C)C[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841956394	ALJNRCWXYWHWGQ-QGZVFWFLSA-N	303.450	3.422	10	20	DGCD	
CC[C@@H](N)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1	843483437	CSTVSIPDWZCKAJ-WMLDXEAASA-N	312.413	3.219	10	20	DGCD	
COc1cccc(CNCCC[C@@H]2CC2(Cl)Cl)c1O	846103000	SSTHVFYORLUUBW-LLVKDONJSA-N	304.217	3.464	10	20	DGCD	
CCc1cccc(CNCCc2cnn(-c3ccccc3)c2)c1O	848892767	GNEDLRXSUROGND-UHFFFAOYSA-N	321.424	3.473	10	20	DGCD	
CCc1cccc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1O	848904015	ITQFWZPTDZSIMJ-FQEVSTJZSA-N	322.408	3.050	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@]2(C)CCCO)cc1F	862368181	DOQFJKJZVUOIIE-KRWDZBQOSA-N	312.404	3.158	10	20	DGCD	
C[C@@H](NC(=O)NCc1cccc(N(C)C)c1)c1ccccc1O	875184995	VIUOOPHEOKGYAG-CYBMUJFWSA-N	313.401	3.019	10	20	DGCD	
CCCNC(=O)C1(NCc2ccc(C)cc2O)CCCCC1	877356201	MYDKSPVRLDIPCD-UHFFFAOYSA-N	304.434	3.019	10	20	DGCD	
CC1CCC(Cn2cc(COc3ccc(N)cc3)nn2)CC1	881310490	KDMHKVPNNDSGHP-UHFFFAOYSA-N	300.406	3.266	10	20	DGCD	
COc1cc(C)cc(CNCc2cc(F)cnc2Cl)c1O	894872021	DMZTXSXQMKITOJ-UHFFFAOYSA-N	310.756	3.187	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)CCC3(C)CC3)CC2)cc1	930310002	QBCLIQHMQUJTLA-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C[C@@H](C)CC)CC2)cc1	1320818089	VRYGGJXAQLWCKZ-HNNXBMFYSA-N	304.434	3.170	10	20	DGCD	
COc1ccc(CNCc2nc3c(s2)C[C@@H](C)CC3)c(O)c1	1322417458	NNHXWWJHFLRSSN-NSHDSACASA-N	318.442	3.272	10	20	DGCD	
CCC[C@@H]1CCCN(c2nnc(-c3sccc3O)n2C)C1	1339572199	HESZIRUDMQLYHZ-LLVKDONJSA-N	306.435	3.266	10	20	DGCD	
CC(C)(C)OC(=O)[C@@H]1CN(Cc2ccc(N)cc2)C[C@H]1C1CC1	1575243603	KDYZIYZTXDZTDH-DLBZAZTESA-N	316.445	3.069	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C)c1nc(C(=O)O)co1	1595891476	UHUYHZRRSYCWQI-NSHDSACASA-N	304.346	3.052	10	20	DGCD	
Cc1cc(CNCc2cc(Cl)cc(F)c2O)oc1C(=O)O	1600209397	LBXUDWOHTLWTQR-UHFFFAOYSA-N	313.712	3.074	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cc(C)on2)cc1	21835520	ZUYBPNJTHPDYFP-UHFFFAOYSA-N	316.405	3.493	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1	75159724	TZAZGIIYKMVCGV-UHFFFAOYSA-N	323.392	3.404	10	20	DGCD	
CSCC[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	77997905	HNPFAYVXBVMZDZ-ZDUSSCGKSA-N	321.490	3.010	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cccc4cc[nH]c34)ccc21	79812254	WNZVEBCWMIOZIV-UHFFFAOYSA-N	319.408	3.480	10	20	DGCD	
Cc1ccc(O)c(CNc2ccccc2CN2CCOCC2)c1	120972772	HYHVRYQDFANGHT-UHFFFAOYSA-N	312.413	3.145	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2ncc[nH]2)cc1	180727484	QFAZUAJTHBSENZ-KRXBUXKQSA-N	321.336	3.140	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](C)CC(C)(C)OC)c1O	184709369	LIPQOANDHXDPEE-SNVBAGLBSA-N	301.814	3.347	10	20	DGCD	
COc1ccc([C@H](O)CN[C@H](C)c2cc(C)ccc2O)cc1	184948236	YEYJTDCVRRHKRD-FZKQIMNGSA-N	301.386	3.093	10	20	DGCD	
COCCOCCN[C@@H](C)c1ccc(Cl)c(Cl)c1O	185136962	UHSYTJPWVITHRV-VIFPVBQESA-N	308.205	3.013	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCO[C@]3(CCSC3)C2)c(O)c1	186136701	YHTOZPGJOFFGBG-GRDNDAEWSA-N	307.459	3.406	10	20	DGCD	
CC[C@@](C)(O)CN[C@@H](C)c1cc(Br)cc(C)c1O	187180861	NNDWCVVRAGHYHP-IINYFYTJSA-N	316.239	3.275	10	20	DGCD	
C[C@@H](N[C@@H]1COc2ccccc2C1)c1ccc(F)c(F)c1O	187676402	NOYCHGZSLQLJHW-PWSUYJOCSA-N	305.324	3.325	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1cc(F)ccc1O	227690827	HVUCFUWKVILIKU-QWRGUYRKSA-N	312.385	3.095	10	20	DGCD	
CN(C)c1ccccc1N(C)C(=O)/C=C\c1ccc(Cl)nc1	255070692	WEISOGQNQYWTOP-LUAWRHEFSA-N	315.804	3.477	10	20	DGCD	
C[C@@H]1CCc2nc(NC(=O)Cc3ccc(N)cc3)sc2C1	262627000	DRDWJIWIUPPRQC-SNVBAGLBSA-N	301.415	3.031	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(C(=O)NC(C)C)cc2)c1	272707082	BXRAJCKSRLRVQI-UHFFFAOYSA-N	314.385	3.151	10	20	DGCD	
C[C@H](NC[C@H](CO)Cc1ccc(F)cc1)c1ccccc1O	272805508	BZUTUJHKETZXOI-DZGCQCFKSA-N	303.377	3.033	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cnn(CC(C)C)c2)c1	273510385	RSAWIBKCVAMCMJ-GFCCVEGCSA-N	317.389	3.204	10	20	DGCD	
CO[C@H](C)CN[C@H](C)c1cc(Br)cc(C)c1O	276981552	WAJSFKAUMJJHSZ-NXEZZACHSA-N	302.212	3.149	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)C1=CCCCC1	277469931	HRWUSOOXNCBHGG-UHFFFAOYSA-N	310.191	3.271	10	20	DGCD	
OCCCOc1ccc(NCc2c(O)cccc2Cl)cc1	285550507	RKQNGQFICBPOSR-UHFFFAOYSA-N	307.777	3.419	10	20	DGCD	
C[C@H](N[C@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1O	285724448	QIDGRCZPAVYUMX-DTWKUNHWSA-N	323.299	3.385	10	20	DGCD	
COCCN(Cc1scnc1C)c1ccc(OC)c(OC)c1	289378255	PFYQYQYREOBXSS-UHFFFAOYSA-N	322.430	3.122	10	20	DGCD	
Cc1cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1N(C)C	293815582	ONVSRODZTSLWJH-HNAYVOBHSA-N	312.461	3.341	10	20	DGCD	
CCC[C@@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	294202895	BZBDOIDYRNFUIY-QGZVFWFLSA-N	304.434	3.059	10	20	DGCD	
COC(=O)c1cnc(SCC[C@@H](O)c2ccccc2)s1	295275302	JZLKTOCOJKCRBN-LLVKDONJSA-N	309.412	3.146	10	20	DGCD	
COc1ccc(N2CCC(Nc3ncnc4c3CCC4)CC2)cc1	728200791	GEUUFLFPCQKROZ-UHFFFAOYSA-N	324.428	3.055	10	20	DGCD	
COCc1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O	729277895	ISHKNCMWRBSMGL-LBPRGKRZSA-N	315.369	3.038	10	20	DGCD	
Cc1cc(C(=O)O[C@@H]2CCOC2)c(C)n1-c1ccc(F)cc1	730400688	NHQGFLRPEGEDCO-OAHLLOKOSA-N	303.333	3.179	10	20	DGCD	
CC[C@@H](Cc1ccccc1)C(=O)NCc1cccc(OC)c1O	732829580	AXZOPRBEHQMDIO-HNNXBMFYSA-N	313.397	3.286	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC1(C)C	732892717	GEQFWSPSYAPSJA-HNNXBMFYSA-N	303.450	3.330	10	20	DGCD	
CCOc1ccc(CN[C@H](COC)c2ccc(C)o2)c(O)c1	747100321	WRIIIAKNDUWHPK-OAHLLOKOSA-N	305.374	3.170	10	20	DGCD	
C[S@](=O)c1ccc(CNCc2cc(Cl)ccc2O)cc1	751150961	CPTAZWOESRGLOO-FQEVSTJZSA-N	309.818	3.073	10	20	DGCD	
Cc1csc(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	766909964	KVRVFHKJAQHXCP-CYBMUJFWSA-N	317.458	3.328	10	20	DGCD	
CCC1(CC)[C@H](NC(=O)NCc2ccccc2O)[C@@H](C)[C@H]1OC	770827617	FXSKQVXMPZOGDS-DAXOMENPSA-N	320.433	3.031	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1	773757967	SPOUCSZEJCBGNZ-LSDHHAIUSA-N	316.367	3.030	10	20	DGCD	
CC[C@H](NCCNC(=O)c1ccc(F)cc1)c1ccccc1O	775489486	QKGCIRSUXAWNBC-INIZCTEOSA-N	316.376	3.002	10	20	DGCD	
CC[C@H](N[C@@H](C)CO[C@H]1CCOC1)c1cc(Cl)ccc1O	775512327	JCQFWLNJFVXJMZ-WHOFXGATSA-N	313.825	3.280	10	20	DGCD	
CC[C@@H](C)n1nc(C(=O)NCc2ccc(N(C)C)cc2)cc1C	777903798	CSPBQGSRZNKHDH-CYBMUJFWSA-N	314.433	3.159	10	20	DGCD	
CCN(Cc1ccc(C)cc1)C(=O)/C=C/c1ccc(O)c(O)c1	779500614	RNDFTJWRZVZCLU-PKNBQFBNSA-N	311.381	3.468	10	20	DGCD	
CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(N(CC)CC)cc1	793107711	PVOPVKJLTLAIAP-YOEHRIQHSA-N	306.450	3.210	10	20	DGCD	
CC[C@]1(NCc2ccc(N(C)C)cc2C(F)(F)F)CCOC1	793179052	XSZDHJYTUNHVRD-HNNXBMFYSA-N	316.367	3.430	10	20	DGCD	
CCn1ncnc1CN[C@@H](C)c1cc(Cl)c(Cl)cc1O	794832859	CFXKMTZWDHSHSW-QMMMGPOBSA-N	315.204	3.161	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)[C@H](O)c2ccc(C)cc2)c1	797057752	BFUPQNOPWCKTKK-KSMMKXTCSA-N	315.413	3.482	10	20	DGCD	
Cc1cc(O)c(CN2CCCN2C(=O)OC(C)(C)C)cc1C	811503139	XALCUKCVOITQST-UHFFFAOYSA-N	306.406	3.367	10	20	DGCD	
CCN(CC)CCOCCN[C@H](C)c1c(C)cc(C)cc1O	815616812	YRIGMQFORQLSJA-MRXNPFEDSA-N	308.466	3.018	10	20	DGCD	
CC[C@H](C)CONC(=O)c1cc(C)n(-c2ccccn2)c1C	816979537	QPMCTNUQDYXQSS-LBPRGKRZSA-N	301.390	3.197	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ccccc1)C(F)F	817224691	WBOKAFWFMBTLNR-MNDMWVCDSA-N	319.307	3.234	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H](CC(F)(F)F)C1)OCO2	817365389	OTDOCYIIBDDRRD-JTQLQIEISA-N	317.307	3.285	10	20	DGCD	
Cc1ccc2c(c1)[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)CC2	817938029	BRQWZFFBYHFRBP-UXHICEINSA-N	309.457	3.338	10	20	DGCD	
C[C@@H](NC1CCC(N)CC1)c1cccc(C(F)(F)F)c1O	817947768	QLPFVOKKEGMYNF-KPPDAEKUSA-N	302.340	3.332	10	20	DGCD	
C[C@@H](Nc1ccc(COCCO)cc1)c1ccc(F)cc1O	818360908	CZFGFBMCDWAUDC-GFCCVEGCSA-N	305.349	3.213	10	20	DGCD	
CN(C)CCCNCc1ccc(N(C)Cc2cccs2)cc1	823584174	DOLAWCZLDGFPET-UHFFFAOYSA-N	317.502	3.426	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccncc2F)cc1F	823842943	UNFUSBWDKUCHFL-UHFFFAOYSA-N	305.372	3.496	10	20	DGCD	
CO[C@H](CNCc1cc(Cl)cc(F)c1O)C1CCCC1	827608454	NKWQVKINIZLHOO-CQSZACIVSA-N	301.789	3.480	10	20	DGCD	
COc1cc(O)c(CNCc2cccc(OC)c2C)cc1OC	827780040	QZZUAHUYTQXNNU-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
COc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2ccccc2O)cc1	827952470	UANONJLTZRGDJV-OAUYIBNBSA-N	311.381	3.382	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC1	832284352	JINLSSSKGYUQPN-QGPMSJSTSA-N	317.477	3.085	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CSC1CC1	839921602	GIGSOXLPENAQMM-CYBMUJFWSA-N	306.475	3.004	10	20	DGCD	
NC[C@@H](NCc1c(O)ccc(Cl)c1F)C1CCCCC1	841039211	FPMANQYBOOZTMR-CYBMUJFWSA-N	300.805	3.182	10	20	DGCD	
CCn1nccc1CN[C@@H](C)c1cccc(C(F)(F)F)c1O	853239865	JQEDYMDHZLYXHS-JTQLQIEISA-N	313.323	3.478	10	20	DGCD	
CCc1ccccc1CC(=O)NCc1ccc2c(c1)CCCN2C	857442841	WULANHZWGIOTTH-UHFFFAOYSA-N	322.452	3.490	10	20	DGCD	
CN(C)c1cc(F)c(CNCCC[C@H]2CCCCO2)cc1F	858157291	WYWALTSWAUSRPB-CQSZACIVSA-N	312.404	3.470	10	20	DGCD	
CCO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CC1	858663341	SEKOXYUHAYCKAA-GOSISDBHSA-N	318.461	3.305	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2C=CCC2)cc1	862172712	GTGWSXWDNBUBBZ-SFHVURJKSA-N	322.408	3.284	10	20	DGCD	
CCCN(c1ccc(CN)cc1)C1CCC(CC(=O)OC)CC1	862348490	QLMSQAHIOWWLJV-UHFFFAOYSA-N	318.461	3.484	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CC[C@@H]2CC2(Cl)Cl)c1	862753026	ACMFGUHXTSVWHY-LLVKDONJSA-N	302.201	3.291	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cc(C(N)=O)ccc1Cl	863995861	HYZINYUUAWGEHD-UHFFFAOYSA-N	317.820	3.425	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2nc(C(C)(C)OC)ns2)c1	865507846	JRSYBBBHEOTRJB-SECBINFHSA-N	323.418	3.307	10	20	DGCD	
C[C@@H](NC(=O)Nc1nc(C(C)(C)C)ns1)c1ccccc1O	878591876	QIFXZCAZZBMQCL-SECBINFHSA-N	320.418	3.424	10	20	DGCD	
C[C@H](NCc1cc(F)cc(F)c1O)[C@@H]1CCCN(C2CCC2)C1	883085168	KGOKKKSHFVCPSP-QWHCGFSZSA-N	324.415	3.413	10	20	DGCD	
CC[C@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)ccc1O	886801662	QPAGPQJEZANUCE-JQWIXIFHSA-N	311.731	3.400	10	20	DGCD	
CSCC(C)(C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	894286254	NRYHDRUPECHUEO-LBPRGKRZSA-N	309.479	3.254	10	20	DGCD	
COc1ccc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)nc1	894938874	GGLNVYGLQKTSQO-OAHLLOKOSA-N	313.445	3.185	10	20	DGCD	
CCCCc1ccc(CC(=O)NCc2ccc(O)cc2O)cc1	910957882	OXQDMJAGCYLTQU-UHFFFAOYSA-N	313.397	3.299	10	20	DGCD	
COc1ccc(CNCCNC(=O)C=C2CCCCC2)cc1C	1124386368	JAKVROHKHALISB-UHFFFAOYSA-N	316.445	3.100	10	20	DGCD	
CCC(O)(CC)CCNCc1cc(F)c(N(C)C)cc1F	1328772559	UUSDMZZQMXYUHF-UHFFFAOYSA-N	300.393	3.062	10	20	DGCD	
C[C@@H](NCC[C@@H]1CCC2(CCC2)O1)c1cc(C(=O)O)ccc1O	1593265846	YIVYMZUOOYFPOY-OCCSQVGLSA-N	319.401	3.233	10	20	DGCD	
CCc1cccc(CN(CC2CC2)[C@@](C)(CC)C(=O)O)c1O	1597586535	GLUFXJFCBGWGHX-SFHVURJKSA-N	305.418	3.420	10	20	DGCD	
CN(Cc1cncc2ccccc12)c1ccc(OCC(=O)O)cc1	1598533218	OPCJOCQSBRWBGS-UHFFFAOYSA-N	322.364	3.335	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](CC3CCC3)C(=O)O)ccc21	1776875727	DYIWEAMHFNDHKQ-QGZVFWFLSA-N	316.445	3.192	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cccs1	60678829	RMQJYJRHWKCZDV-UHFFFAOYSA-N	302.443	3.405	10	20	DGCD	
CCN(CC)c1ccc(CNc2ncccc2[N+](=O)[O-])cc1	76844859	LEVDIINNGXXHJO-UHFFFAOYSA-N	300.362	3.448	10	20	DGCD	
Cc1ccc(O)c(CNC2CCN(Cc3ccccc3)CC2)c1	103854867	SMJAYUHPBKNGAA-UHFFFAOYSA-N	310.441	3.455	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cnn(C(C)(C)C)c2)cc1	126810303	AXHRSBWDHSCZPR-UHFFFAOYSA-N	315.421	3.026	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(C3OCCO3)CC2)cc1	130120185	SOHVMYRMENMYMX-UHFFFAOYSA-N	318.461	3.118	10	20	DGCD	
COc1ccc(N(C)CCOc2ccccc2F)cc1OC	140272324	IONSWKXOUUQAOF-UHFFFAOYSA-N	305.349	3.358	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cnn(C(C)(C)C)c1	154926288	KXJBHSRQNAFJDJ-UHFFFAOYSA-N	314.433	3.103	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)CC1CCNCC1	178978095	AWLCXDHLBRPRBO-UHFFFAOYSA-N	301.478	3.108	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)CCCOC)cc1	182522628	PATDLWANGPRDKE-OAHLLOKOSA-N	306.450	3.212	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC(Cc2ccccc2)CC1	184771651	WFBSYYLJNAFKPH-UHFFFAOYSA-N	311.381	3.193	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccoc1Br	193316741	GQWVEMXKWAQXEH-UHFFFAOYSA-N	310.147	3.020	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)[C@@H](O)Cc2ccccc2)c1	248519047	QHJRZWMKNJTLHB-NJSLBKSFSA-N	315.413	3.044	10	20	DGCD	
CC[C@@H](NC[C@@H](O)c1ccc(C)o1)c1ccc(N(C)C)cc1	269078460	YWKVLLFEAZSKHO-IAGOWNOFSA-N	302.418	3.428	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCO[C@@H](C)C2)cc1	271321007	YRPOXUKYSRUIMB-RDJZCZTQSA-N	312.413	3.391	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c(O)c1O	272717724	DRLXXYOAYWBVHC-ZDUSSCGKSA-N	315.344	3.175	10	20	DGCD	
COc1cc(Cl)cc(CNCc2ccccc2N(C)C)c1O	273755839	OEODGLFMWPKPFE-UHFFFAOYSA-N	320.820	3.410	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(C)cc1O	280062208	KMAJECFWZULCLQ-UXLLHSPISA-N	318.461	3.388	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2c(F)cncc2F)c1O	285899233	ZRCNSKVGIFCLGU-QMMMGPOBSA-N	324.302	3.258	10	20	DGCD	
COc1cc(O)c(CN[C@H]2c3ccccc3O[C@@H]2C)cc1OC	290185639	ODYIWZRXDVANIR-ADLMAVQZSA-N	315.369	3.021	10	20	DGCD	
CCc1ccc([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)cc1	294408371	FDTMLKKLHDEUSH-HNNXBMFYSA-N	311.381	3.290	10	20	DGCD	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(F)ccc(O)c1O	294762130	BHIZUIDIHLIGQF-DGCLKSJQSA-N	315.344	3.255	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1nc(N)c2ccccc2n1	301916570	VWEMWNPACUXHKQ-UHFFFAOYSA-N	307.401	3.199	10	20	DGCD	
COc1cc(Cl)cc(CNC(C)(C)CN2CCCC2)c1O	308629155	YYEIVWVAYNMFTH-UHFFFAOYSA-N	312.841	3.018	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CC1CCCCC1	324320313	UMCXEFFQYVRHSZ-GOSISDBHSA-N	317.477	3.009	10	20	DGCD	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C2=S=CC=C2)o1	543046313	LKOKSPZKWPJEJY-UHFFFAOYSA-N	314.322	3.066	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2cc(F)ccc21	588404008	UVRVCXDXQXBSOZ-YWEYNIOJSA-N	313.328	3.230	10	20	DGCD	
CN1CCCc2cc(CNC[C@@H](O)c3ccc(F)cc3)ccc21	727643770	JTTBULUJUFXODI-LJQANCHMSA-N	314.404	3.031	10	20	DGCD	
CCc1ccc(O)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1	729277639	GKLZEJFEAWOUQF-LLVKDONJSA-N	315.369	3.160	10	20	DGCD	
CC[C@H]1C(=O)NCCN1Cc1cc2oc3ccccc3c2cc1O	730257241	WUUZPUQYMHNEDD-HNNXBMFYSA-N	324.380	3.002	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)OCC(C)C)cc1F	731346655	OFIGEAQANMMZFT-AWEZNQCLSA-N	324.440	3.349	10	20	DGCD	
CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cccc(O)c1O	731497097	WSFWTSHSEBGCNI-HNNXBMFYSA-N	318.760	3.338	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCSC2)cc1	748961401	SCWXZJPZORNJDX-HNNXBMFYSA-N	321.490	3.228	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2cnn(CC(F)(F)F)c2)c1	756659185	PAWAJGOTVASKQH-LLVKDONJSA-N	313.323	3.310	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@H](CO)Cc2ccco2)c2c(O)ccc(F)c21	756659291	CQHLPTKZDZUUQW-JMSVASOKSA-N	319.376	3.113	10	20	DGCD	
C[C@@H](NCCC(=O)NC(C)(C)C)c1cc2c(cc1O)CCCC2	756685502	QPWUNWXEMVTBGY-CYBMUJFWSA-N	318.461	3.226	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCC23CCC(CC2)C3)cc1	756918905	XDTDTBQKSBTZQL-UHFFFAOYSA-N	301.434	3.132	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cccc3c2OCO3)c1	757659862	SNGSNICTRREWHZ-JTQLQIEISA-N	315.325	3.081	10	20	DGCD	
CCOc1ccc(CN2CCCN(C3CCCC3)CC2)c(O)c1	769207961	GLLAEWHDXHFLLC-UHFFFAOYSA-N	318.461	3.241	10	20	DGCD	
C[C@@H](NC(=O)CC1(O)CCCCC1)c1ccc(N(C)C)cc1	775402785	CMNOCRIRQFKVHM-CQSZACIVSA-N	304.434	3.015	10	20	DGCD	
CC(C)(O)CCNCc1ccc2c(c1)CCN2Cc1ccccc1	796351815	HXAQUNDVQMGCAE-UHFFFAOYSA-N	324.468	3.500	10	20	DGCD	
Cc1cc(C(=O)CN2CCOCC23CC3)c(C)n1-c1ccccc1	801981702	ZWPLMRYVICYOKF-UHFFFAOYSA-N	324.424	3.142	10	20	DGCD	
Oc1ccccc1CN(Cc1ccc(-n2cncn2)cc1)C1CC1	802659620	QMDZKVXCUMRTDV-UHFFFAOYSA-N	320.396	3.138	10	20	DGCD	
Cc1cc(CN2CCOC[C@@H](C3CCC3)C2)ccc1N(C)C	815121236	SZCVGAYQQUMKFZ-SFHVURJKSA-N	302.462	3.310	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1	815566738	DBMPKOBPLIOJMK-HZPDHXFCSA-N	324.424	3.465	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cnn(C)c1Cl	816614347	UAKMUDBNSTTYOA-UHFFFAOYSA-N	305.809	3.425	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCCN2)cc1F	817901177	SVONSIRNCZUOKW-RYQLBKOJSA-N	319.468	3.292	10	20	DGCD	
COC(=O)c1cnc(Sc2ccnc(C(C)(C)C)n2)s1	828428955	PMEYQQJDLFZTMF-UHFFFAOYSA-N	309.416	3.168	10	20	DGCD	
CC(C)(C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	837168326	UXCGNLYREQUXGO-DYLGSBMWSA-N	303.402	3.396	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCC1([C@@H](C)CCO)CCC1	840938121	ZMZSJDZPARRHLZ-INIZCTEOSA-N	304.478	3.339	10	20	DGCD	
COc1cccc(CN(C2CC2)[C@H](C)C(=O)OC(C)(C)C)c1O	840957008	GUCWQLJQJQWDIN-GFCCVEGCSA-N	321.417	3.095	10	20	DGCD	
CCc1cccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)c1O	848913190	QTWTURDMRXOKES-ICSRJNTNSA-N	311.425	3.210	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](O)CNCc1c(O)ccc(Cl)c1F	850412446	XYYUFJZNHHOSAB-BZNIZROVSA-N	323.795	3.439	10	20	DGCD	
Cc1cn(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)nn1	853720225	ZJDFAOQXLQFYTF-UHFFFAOYSA-N	308.385	3.185	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cc(F)ccc2N(C)C)c1	877534060	WMWCYSRRAPNGPY-GFCCVEGCSA-N	318.392	3.457	10	20	DGCD	
Oc1nc2c(cc1CNCc1cccc(Cl)c1O)CCCC2	877780448	RBMWIHGUDWRETL-UHFFFAOYSA-N	318.804	3.315	10	20	DGCD	
CCc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)nc1	883385240	IFJNRGHNCBGFTD-UHFFFAOYSA-N	310.445	3.008	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](C)Oc2ccccc2F)c1O	894310076	GQJWNCXVTCNGDB-ZDUSSCGKSA-N	319.376	3.405	10	20	DGCD	
O=C(COC(=O)c1ccc2ccccc2c1)c1ccc(O)c(O)c1	916590006	WJXFVAUECUFAKQ-UHFFFAOYSA-N	322.316	3.291	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@H]1CCCN1CC(F)(F)F	922708329	JABPNFKYVMMSLJ-GFCCVEGCSA-N	322.758	3.162	10	20	DGCD	
C[C@@H](NC(=O)N[C@@](C)(C1CC1)C(F)(F)F)c1ccccc1O	933562627	DDVCIDBTRPCTSN-OTYXRUKQSA-N	316.323	3.483	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1	1262603807	VWZXKIPCCCZDKO-SFHVURJKSA-N	323.440	3.433	10	20	DGCD	
CN(C)[C@@H]1CCCC[C@H]1NCc1cc(Cl)cc(F)c1O	1320640538	SJSVFOCVXOSFKO-ZIAGYGMSSA-N	300.805	3.147	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@@H](F)C1	1326752576	OSFMEABLPIQGJF-HUUCEWRRSA-N	307.413	3.141	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2Cc3ccc(C)cc3S2)c1	1329543170	DHNCHIXUYRZNBF-QGZVFWFLSA-N	313.422	3.342	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CC[C@H](c3cnn[nH]3)CC2)cc1Cl	1577349006	XGBGAEJGMKPFIF-AULYBMBSSA-N	320.824	3.288	10	20	DGCD	
CC(C)(C(=O)O)C(=O)CSc1ncc(C(C)(C)C)s1	1589588819	KQUUCZJDRRDSHO-UHFFFAOYSA-N	301.433	3.213	10	20	DGCD	
Clc1cnc(SCCc2ccc(-c3nn[nH]n3)cc2)s1	1606198821	SWQLAYJCNVQIRN-UHFFFAOYSA-N	323.834	3.311	10	20	DGCD	
COc1ccc(CN[C@H]2CCC[C@@H](CCCC(=O)O)C2)c(O)c1	1610335783	LMPLJTYEBMCRDS-ZFWWWQNUSA-N	321.417	3.304	10	20	DGCD	
Cc1cc(CNC2(CC(=O)O)CC2)ccc1N1CCCCC1	1610462378	ZZUPTKVVWNGAOP-UHFFFAOYSA-N	302.418	3.082	10	20	DGCD	
CC/C(C)=C/C(=O)NC[C@H](C)CNCc1ccc(OC)c(C)c1	1753612510	HFYCVRHJDPRZOV-AAWPKVBNSA-N	318.461	3.202	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@@H]2CCCO2)c1C	46467645	CKMQKZZUIXOBCF-INIZCTEOSA-N	312.413	3.311	10	20	DGCD	
COc1ccc(F)cc1[C@H](C)NCc1cc2c(cc1O)OCO2	63256019	IBGIAOMUSGMDFG-JTQLQIEISA-N	319.332	3.119	10	20	DGCD	
COc1ccc(N(C)CCOc2cccc(C#N)c2)cc1OC	63617966	YWCYCYWYFUEQKY-UHFFFAOYSA-N	312.369	3.091	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cn1ccc(C(F)(F)F)n1	65940913	INFQODLHBYIARQ-UHFFFAOYSA-N	312.339	3.057	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2CCC3)c1	104900622	QOROMLZNJKNUDG-LBPRGKRZSA-N	311.381	3.381	10	20	DGCD	
COCc1noc(-c2cc(C)n(-c3ccc(OC)cc3)c2C)n1	109603100	JYBWQYAJOUXSSQ-UHFFFAOYSA-N	313.357	3.299	10	20	DGCD	
C[C@H](CC(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1	165198057	PROUBZSFFBNMOQ-LLVKDONJSA-N	320.330	3.093	10	20	DGCD	
C[C@H](NC[C@H](c1ccccc1)N(C)C)c1cc(F)ccc1O	176980961	GQEFORNBWIUFFB-SUMWQHHRSA-N	302.393	3.485	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)c1ccccc1	180839898	NTXSPAHZFBFRGY-VTKSRCSTSA-N	311.381	3.419	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC(C)(C)N2CCCCC2)c1	184847682	DKLLEJZDTMRGMA-CQSZACIVSA-N	306.450	3.316	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@@H](C)CCCO)c1O	187294792	YGYWWXQXXZPBTI-QWRGUYRKSA-N	316.239	3.275	10	20	DGCD	
COCCO[C@@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)C1	188928964	VNFAHLLFVGPZFP-MRXNPFEDSA-N	307.434	3.061	10	20	DGCD	
Cc1c(Br)cccc1NC(=O)c1cccc(O)c1O	193008297	YESIGFKFXXNSKG-UHFFFAOYSA-N	322.158	3.421	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C(C)(C)C1	266979168	RWEAPKKBXFKFPO-HNNXBMFYSA-N	313.445	3.393	10	20	DGCD	
Cc1sc(CC(=O)NCc2ccccc2O)nc1C(C)C	279410608	IWNAQXAGDNQMRT-UHFFFAOYSA-N	304.415	3.139	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@H](C)c1c(C)cc(C)cc1O	293794854	UPACSVFMBKLPKF-UKRRQHHQSA-N	306.450	3.212	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNc1ccccc1	319310661	XPNMVIMIJFRRQD-UHFFFAOYSA-N	311.429	3.213	10	20	DGCD	
Cc1c(CNC(=O)c2ccc3c(c2)OCO3)n(C)c2ccccc12	348696779	FNGNBYAZNLYUHV-UHFFFAOYSA-N	322.364	3.145	10	20	DGCD	
Cc1ccc(CCNCc2cccc(Br)c2O)nc1	689483505	CEGRTBOKCRTEEU-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
CCc1cccc(CN[C@H]2CCN(Cc3ccccc3)C2)c1O	691485670	ZSCPJEMQYCWEAS-IBGZPJMESA-N	310.441	3.319	10	20	DGCD	
CCC1(C)CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	725857622	IPNQRPDSXCFIHJ-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
O=C(OCc1coc(-c2ccccc2)n1)c1cc(O)cs1	731909810	LBXSOCQHUPZIBG-UHFFFAOYSA-N	301.323	3.466	10	20	DGCD	
CC(C)[C@H](NC(=O)c1cc(O)cs1)c1nc2ccccc2[nH]1	732266392	ATXIHAMSFQAHEN-AWEZNQCLSA-N	315.398	3.457	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)c2nnc(C)o2)cc1	738300214	UUWQJDZUWCZGFU-ZDUSSCGKSA-N	302.422	3.417	10	20	DGCD	
CC[C@@H](COC)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	738438959	HANMYUXBFLVNEY-HNNXBMFYSA-N	321.421	3.100	10	20	DGCD	
CCN(C)c1ccc(CN(C)C2CCN(C(C)C)CC2)cc1	741754283	MYHWXONBQSFQCE-UHFFFAOYSA-N	303.494	3.447	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(C)c(F)c2)c1	756366503	SYRSMJVUHTWULF-GFCCVEGCSA-N	317.360	3.477	10	20	DGCD	
C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc2ccccc2c1O	756383697	ZYJUHGNYUNYLAR-FZKQIMNGSA-N	320.392	3.423	10	20	DGCD	
CC(C)[C@H](N[C@@H](C)c1cc(Cl)ccc1O)C(=O)N1CCCC1	756705663	NFCOWYIJZHJCBV-LRDDRELGSA-N	324.852	3.343	10	20	DGCD	
CCC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1	759419257	QKVCCYYZBXQHNL-AWEZNQCLSA-N	311.809	3.249	10	20	DGCD	
C[C@H](N[C@@H](CO)CC(F)F)c1ccc(N2CCCCC2)cc1	760035563	BAXSQMHUTMHSKL-DZGCQCFKSA-N	312.404	3.344	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC([C@@H](O)C(F)(F)F)CC1	769513682	FZNRTWXEAUUPQM-CYBMUJFWSA-N	323.742	3.181	10	20	DGCD	
C[C@H](NC(=O)NC1Cc2ccccc2C1)c1ccc(N(C)C)cc1	773447654	RFGVVRWIJSJDKJ-AWEZNQCLSA-N	323.440	3.280	10	20	DGCD	
CC[C@@H](NC[C@@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O	775525319	KKCYHLWVYUJOTR-ZYHUDNBSSA-N	311.731	3.400	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@H](c2cc[nH]n2)C1	775657868	ALUYZZYFQCTEMQ-JTQLQIEISA-N	309.772	3.287	10	20	DGCD	
CCOCCN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	779599198	RNERWNFYJCMDRM-UHFFFAOYSA-N	321.421	3.053	10	20	DGCD	
COc1ccc(CN(C)c2ccc3c(c2)OCO3)c(OC)c1	780778476	LJNXGLCWALDQOR-UHFFFAOYSA-N	301.342	3.069	10	20	DGCD	
CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1(C)C	781035663	GMDOGDQEQNLABP-AFAVFJNCSA-N	316.445	3.181	10	20	DGCD	
C[C@@H](NC[C@H]1CCC=CO1)c1cc(Br)ccc1O	783308453	DXDABDVOBMRCAY-ZYHUDNBSSA-N	312.207	3.498	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@@H](O)c1cc(F)cc(Cl)c1	787330870	FKUYJLNTRRHOFW-OAHLLOKOSA-N	313.731	3.147	10	20	DGCD	
CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(O)cs2)c1	787928291	FXUDVCQURPXYHV-UHFFFAOYSA-N	319.386	3.156	10	20	DGCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccn1	789892865	VFSZTQUNBLYUTH-UHFFFAOYSA-N	309.413	3.261	10	20	DGCD	
CCOC(=O)CC(C)(C)CCN[C@H](C)c1cc(OC)ccc1O	805748636	PNFYFKKEVQMLLD-CYBMUJFWSA-N	323.433	3.421	10	20	DGCD	
CC[C@@H](N[C@@H](CCO)CSC)c1cccc(Cl)c1O	806139441	AOHCBJOULBEIHJ-GXFFZTMASA-N	303.855	3.200	10	20	DGCD	
C[C@H](NC[C@H](CO)c1ccc(Cl)cc1)c1ccccc1O	806180531	OXVOEXWHIPLADR-GXTWGEPZSA-N	305.805	3.472	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H]2CC(=O)N(C(C)C)C2)c1O	808707528	RHGMIQDQNVIJDE-YPMHNXCESA-N	310.825	3.014	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)CC(=O)OC	809804131	RURJQSVINKWNKR-AWEZNQCLSA-N	321.417	3.110	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCC=CO1	813684837	XYMPEVBEWZXUAQ-LLVKDONJSA-N	302.157	3.008	10	20	DGCD	
COC(=O)CCC[C@@H]1CCC[C@@H](NCc2ccccc2O)C1	815122875	QJTQQQWGJWMRSR-GOEBONIOSA-N	305.418	3.384	10	20	DGCD	
CC(C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1F	817039745	NFOCRKYGCBSOFT-NTMALXAHSA-N	315.344	3.302	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](Cc1ccccc1)[C@H](C)N	817894841	QRVZSFSHBSGROH-OXJNMPFZSA-N	311.473	3.109	10	20	DGCD	
CC[C@@](C)(CC(=O)O)NCc1cc(Cl)cc(Cl)c1O	828665705	WWXWOYTWGABLCD-ZDUSSCGKSA-N	306.189	3.432	10	20	DGCD	
C[C@H](NC[C@@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1O	834881837	BQCWQSQYYQOYLE-QWHCGFSZSA-N	320.389	3.300	10	20	DGCD	
Cc1ccc([C@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c(O)c1	834898914	SSFIXYKARJVKFA-KPZWWZAWSA-N	312.369	3.099	10	20	DGCD	
COC1([C@@H](C)NCc2cc(Cl)cc(C(C)=O)c2O)CCC1	839658076	ASNPTKGMJIAGIQ-LLVKDONJSA-N	311.809	3.295	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCC(C)(C)OCC2CC2)c1	840877567	YQTKAURHDQQAJR-LBPRGKRZSA-N	321.417	3.035	10	20	DGCD	
C[C@H](N[C@H](CO)CC1CCCCC1)c1cc([N+](=O)[O-])ccc1O	841759916	BBPDRZFGIWEPEF-JSGCOSHPSA-N	322.405	3.282	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CO1	842776148	SESBLGMBKGKNAL-CMPLNLGQSA-N	302.340	3.038	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)c(O)c1C	842884869	LJJHITDTZFEOLZ-UKRRQHHQSA-N	304.434	3.059	10	20	DGCD	
CCC1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CCC1	844854207	JTYXRJPTDCRXRD-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)CN2CCC[C@H](C)C2)c1O	846143527	JGHAEFMHUYDTMS-ZNMIVQPWSA-N	306.450	3.172	10	20	DGCD	
COc1cccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)c1O	846164960	JKGGIIITZUVHPM-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
CO[C@@H]1CCC[C@@H](CC(=O)NCc2cc(Cl)ccc2O)C1	846474676	ZCWVYOCRSMVSRV-BXUZGUMPSA-N	311.809	3.257	10	20	DGCD	
Nc1ccc(CNC(=O)C2(C(F)(F)F)CCCCC2)cc1	850711179	LMLJIORYEUXUGI-UHFFFAOYSA-N	300.324	3.398	10	20	DGCD	
CN(C[C@@H]1COC(C)(C)O1)c1ccc(-c2nccs2)cc1	852167090	WLSXMLSDWPFJGI-CQSZACIVSA-N	304.415	3.398	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[C@H](N)C1	852883567	ZPKIFIXDNUUTCP-WBAXXEDZSA-N	324.424	3.219	10	20	DGCD	
CC(=O)N(C)c1ccc(CN[C@@H]2CCc3cccc(O)c32)cc1	858496596	ABLKGOKKRQKMEL-QGZVFWFLSA-N	310.397	3.152	10	20	DGCD	
Cc1ccc([C@H](NC(=O)CN(C)c2ccc(N)cc2)C2CC2)cc1	863557869	YEOMUQSYMRVPAR-FQEVSTJZSA-N	323.440	3.281	10	20	DGCD	
Cc1cccc(O)c1CN1CCC(OC[C@@H]2CCCCO2)CC1	876790472	JAUNECZNXVMIKX-KRWDZBQOSA-N	319.445	3.251	10	20	DGCD	
CC[C@H](NCc1cc(OC)ccc1O)[C@H](O)c1ccccc1	877832175	HLBYRNAPMJARMY-FUHWJXTLSA-N	301.386	3.003	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC1(c2ccc3c(c2)OCO3)CC1	883051066	MJQAWIDAICGBJI-UHFFFAOYSA-N	319.307	3.178	10	20	DGCD	
O=C(O)c1ccccc1CCNCc1ccc2c(c1)CCCO2	900027967	RMCWZAYGYKOHFA-UHFFFAOYSA-N	311.381	3.042	10	20	DGCD	
Cn1cnc(/C=C/C(=O)N2CCCSc3ccc(F)cc32)c1	904809663	WKLHRVJQXGDOHK-GQCTYLIASA-N	317.389	3.101	10	20	DGCD	
C[C@H]1CC[C@@H](C)[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1	924760999	SIIXYZCKZONNLE-IGOJGBNBSA-N	316.489	3.420	10	20	DGCD	
COc1ccc(CN[C@H]2CCCN(C(=O)CC(C)C)C2)cc1C	998413350	LGOYWUPHSNSSSD-KRWDZBQOSA-N	318.461	3.130	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@H](C)NC(=O)C2(C)CC2)cc1C	1134435838	QFMRKIBDPLTZPO-GJZGRUSLSA-N	318.461	3.177	10	20	DGCD	
COc1ccc(CNCCCC[C@H](C)NC(=O)C(C)C)cc1C	1169236955	NMGHXLWMPZTWPN-INIZCTEOSA-N	320.477	3.424	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCCC[C@H]1[C@H]1CCCN1	1328401219	VAOCBGYWMKKLGY-UXHICEINSA-N	313.489	3.393	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC(C1CC1)C1CC1	45438930	BELMBVIFWGXYIK-UHFFFAOYSA-N	315.461	3.473	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccnc(Cl)c1	60349105	BXFPWJQAFKHFBC-UHFFFAOYSA-N	304.777	3.493	10	20	DGCD	
CC(C)C[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1	67911073	WQSITUMTHAQVLL-MRXNPFEDSA-N	318.461	3.212	10	20	DGCD	
COc1cccc2sc(NC(=O)Cc3ccc(N)cc3)nc12	71700180	LJZVMAAUHNUOPC-UHFFFAOYSA-N	313.382	3.068	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H](CN3CCCCC3)C2)cc1	93683333	ZUBSSYLRSLPKBH-SFHVURJKSA-N	301.478	3.060	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc3[nH]ccc3c2)cc1F	107576579	JJQBCQDYRFYTLA-UHFFFAOYSA-N	311.360	3.303	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(c3ccc(Cl)cn3)CC2)c1	130300884	DZHFXBIRSAGOKP-UHFFFAOYSA-N	317.820	3.071	10	20	DGCD	
CCO[C@H](C)c1noc(COc2ccc(N3CCCC3)cc2)n1	178195231	QTWKMBSBPBIKDP-CYBMUJFWSA-N	317.389	3.346	10	20	DGCD	
O=C(COc1ccc(N2CCCC2)cc1)N1CCCCCC1	178195338	MGTSZTIVQVUWII-UHFFFAOYSA-N	302.418	3.068	10	20	DGCD	
COc1cc(C)cc(CN(C)Cc2ccccc2[N+](=O)[O-])c1O	178853602	PCADMVKCIGKSJE-UHFFFAOYSA-N	316.357	3.249	10	20	DGCD	
CCc1nnc(NCc2cccc(Br)c2O)s1	181473859	AKCGHPFRJVHZOY-UHFFFAOYSA-N	314.208	3.181	10	20	DGCD	
Cc1ccc([C@@H](C)NCCN2CCc3ccccc3C2)c(O)c1	184923850	WUIQHOAHGDSOBL-MRXNPFEDSA-N	310.441	3.410	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1CCc1ccccc1	186988351	IEKKZKUGAVBNOJ-HNNXBMFYSA-N	311.381	3.335	10	20	DGCD	
COC(=O)[C@@H](NCc1cccc(C)c1O)c1cc(C)cc(C)c1	189623716	CTCDYEBHGHMKLH-KRWDZBQOSA-N	313.397	3.321	10	20	DGCD	
Cc1ccc(O)c(CNC[C@H]2CCCN2C(=O)OC(C)(C)C)c1	226648206	FGSDULBAYMOMLP-OAHLLOKOSA-N	320.433	3.190	10	20	DGCD	
CC(C)(CNC(=O)Cc1ccc(N)cc1)c1cccc(F)c1	236661860	CYSPZTYQQVHTND-UHFFFAOYSA-N	300.377	3.044	10	20	DGCD	
CO[C@@H](C)c1nc(CNCc2ccc(N(C)C)c(F)c2)cs1	267598879	DBUCYGHQZFFBCE-NSHDSACASA-N	323.437	3.345	10	20	DGCD	
O[C@H](COc1ccccc1)COc1ccc(N2CCCC2)cc1	270204193	ZXEHOTPQIJIRHU-QGZVFWFLSA-N	313.397	3.106	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1	273463295	IMZFUKAJVSFDHZ-MAUKXSAKSA-N	324.424	3.152	10	20	DGCD	
Cc1nccn1CCN[C@H](C)c1cc(Br)ccc1O	273559472	HSXHJDZJWRICOC-SNVBAGLBSA-N	324.222	3.010	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C(C)(C)C(C)C)CC2)cc1F	276069154	VXVQQYWTJVNOET-UHFFFAOYSA-N	322.424	3.165	10	20	DGCD	
CN(C)c1ccc(CNCCc2ccncc2)c(C(F)(F)F)c1	280162081	FRZPTYCZDMBYGV-UHFFFAOYSA-N	323.362	3.499	10	20	DGCD	
CC[C@H](N[C@H](C)CC[S@](C)=O)c1cccc(Cl)c1O	287667141	LZPSPIFARNIJHB-KRDDEPHXSA-N	303.855	3.243	10	20	DGCD	
Cc1cc(C(=O)NCC[C@@H](C)CCO)c(C)n1-c1ccccc1	295639440	TXWCTQFBABYZRT-CQSZACIVSA-N	314.429	3.233	10	20	DGCD	
C[C@H]1CC(NCc2ccc(Br)cc2O)C[C@H](C)O1	694769622	GUKAYSYVDHGHSO-UWVGGRQHSA-N	314.223	3.200	10	20	DGCD	
CC(C)n1ncc2cc(NC(=O)c3cc(O)cs3)cnc21	731867732	RQVGSIHOPHZWSA-UHFFFAOYSA-N	302.359	3.032	10	20	DGCD	
CCOc1ccc(N(C)C[C@@H](O)COc2ccccc2C)cc1	739923008	AZLWYRQIRYFUGI-QGZVFWFLSA-N	315.413	3.270	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCC[C@H](C)O)c2C)c1	749393512	MYPYNDVKHJJZCV-HNNXBMFYSA-N	314.429	3.212	10	20	DGCD	
CC(C)(C)C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O	752086185	HBTWXETWAGHUID-UHFFFAOYSA-N	315.369	3.129	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](C(C)(C)C)C2)cc1F	753152628	YEGNHBAQHUGRAN-CQSZACIVSA-N	321.440	3.469	10	20	DGCD	
C[C@H](O)C[C@H](C)NCc1ccc(OCc2ccccc2)cc1O	753571780	XNDNPWROZYQONY-GJZGRUSLSA-N	315.413	3.220	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2c(F)cccc2F)cc1F	757852653	PXQREMNXZNFGDM-UHFFFAOYSA-N	324.302	3.187	10	20	DGCD	
O=C(OCC(=O)c1cccc2ccccc12)c1cccc(O)c1O	758572874	OKVMYQDKNZHBIS-UHFFFAOYSA-N	322.316	3.291	10	20	DGCD	
O=C(OCc1cccc(OC(F)F)c1)c1cccc(O)c1O	758579425	GNFPOTIGJKZEBD-UHFFFAOYSA-N	310.252	3.056	10	20	DGCD	
CCc1ccc(CN(C)c2ccc(OCCN(C)C)cc2)o1	761223925	VGGGSOCWQPCMOL-UHFFFAOYSA-N	302.418	3.419	10	20	DGCD	
CSC[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773613340	QBEVTCMUDPOANC-XJKSGUPXSA-N	321.490	3.351	10	20	DGCD	
Cc1ccc(F)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1F	773749651	SCZCBTDUYINZKN-SNVBAGLBSA-N	321.323	3.045	10	20	DGCD	
CCOCc1cc(CN[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)ccc1OC	776498522	NJECHLZOUFWXLY-MORSLUCNSA-N	321.461	3.381	10	20	DGCD	
CCOc1ccc(CNc2ccc(OC3COC3)cc2)c(O)c1	780580798	MRXLWAHKOBHLLA-UHFFFAOYSA-N	315.369	3.181	10	20	DGCD	
CCC(O)(CC)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	788104977	CAZGMABSWJCSBF-AWEZNQCLSA-N	321.465	3.054	10	20	DGCD	
O=C(C[C@@H]1CCCCO1)NCc1cc(Cl)cc(Cl)c1O	807838211	KWXFDEKXMNOJJX-NSHDSACASA-N	318.200	3.274	10	20	DGCD	
C[C@@H]1CC[C@H](C(=O)O)CN1Cc1ccc(N2CCCCC2)cc1	817881456	TZDDHBDMMOUCED-WBVHZDCISA-N	316.445	3.362	10	20	DGCD	
C[C@@H](NCC[C@@H]1CCNC1)c1ccc(N2CCCCC2)c(F)c1	817954821	KVEJTMZFZXCNLH-CVEARBPZSA-N	319.468	3.466	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3ccccc3O)C2)cc1	818220849	NAXCCVHGEOASAD-HNNXBMFYSA-N	312.413	3.017	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCO[C@H](c3ccnn3C)C2)c(O)c1	834899396	PRFQABIWEDXVNR-IYOUNJFTSA-N	315.417	3.005	10	20	DGCD	
C[C@H](C(=O)NCc1cccc(Br)c1O)C1CCC1	837581512	JOISUOSPVOCATD-VIFPVBQESA-N	312.207	3.207	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@](C)(CC)OC	838662089	ZJCJDFUWUIKCJY-KRWDZBQOSA-N	308.422	3.129	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)[C@@H]2CCCNC2)cc1F	841032234	AEQVSWBACUPVFD-GOEBONIOSA-N	307.457	3.150	10	20	DGCD	
Oc1c(Cl)cccc1CNCC[C@@H]1COc2ccccc2O1	841888872	UEILUGZWQJGKJD-CYBMUJFWSA-N	319.788	3.365	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](C)N2CCC(C)CC2)c1O	846142746	VUCSIPPKGYJTJS-LSDHHAIUSA-N	306.450	3.172	10	20	DGCD	
C[C@@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O	846205958	LUSXQWLAYNPKGT-KGLIPLIRSA-N	324.424	3.207	10	20	DGCD	
COc1cc(CN[C@H]2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1	850234566	IHESYCOWPCWSQV-JSGCOSHPSA-N	307.434	3.355	10	20	DGCD	
CCn1nccc1CNCc1cc(OC)cc(C(C)(C)C)c1O	853094431	XOFYPAUDVABSHZ-UHFFFAOYSA-N	317.433	3.205	10	20	DGCD	
CC[C@@H](C)CCNC(=O)NCCCSc1nccs1	853856207	UGRRBZDZLBNWEK-LLVKDONJSA-N	301.481	3.361	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCc1cccnc1	854323555	CBKSNEULCANUHL-UHFFFAOYSA-N	311.429	3.129	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC(C)C)cc1	858112759	JVUSNHHVYISJCT-UHFFFAOYSA-N	312.413	3.221	10	20	DGCD	
COc1ccc(CN[C@@H]2CCC(F)(F)C2)cc1Cn1cccn1	873080599	QRAIQSZMNIBMHB-OAHLLOKOSA-N	321.371	3.217	10	20	DGCD	
COc1ccc(CCCNCc2ccc(C)cc2O)cc1OC	876985952	XYKPLUFIZYJSIG-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3cc(C)ns3)C2)cc1	877599005	XBDLZAHVCOTFJP-CQSZACIVSA-N	317.458	3.076	10	20	DGCD	
Oc1c(Cl)cccc1CNCCc1nc2c(s1)CCC2	896841079	IPSZKHMBRVQQLJ-UHFFFAOYSA-N	308.834	3.323	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@](C)(CC)CC(=O)O)cc1F	901790985	LBLYYHCVOJWMNZ-KRWDZBQOSA-N	310.413	3.405	10	20	DGCD	
COC(=O)[C@@H]1CC[C@H](N[C@H]2C[C@H](C)c3c(F)ccc(O)c32)C1	903128586	CUCKCOQJGIPFMI-NOHGZBONSA-N	307.365	3.011	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCCCC[C@@H]2c2ccncc2)cc1	1262603333	FNJLKBJYYMYAFG-GOSISDBHSA-N	324.428	3.491	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC[S@@](=O)C(C)(C)C	1323829960	AUSOZHZXDAGDGA-RRMDADRESA-N	309.475	3.386	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCCC(F)(F)C2)c(O)c1OC	1335051983	TTXFOWNNMDVZJC-LLVKDONJSA-N	315.360	3.325	10	20	DGCD	
CC(=O)c1cccc(COc2ccc(N(C)C)c(C(=O)O)c2)c1	1589309972	WWCFYQRMJPADJA-UHFFFAOYSA-N	313.353	3.232	10	20	DGCD	
CN(C)c1ccc(OCc2ncc(C(C)(C)C)o2)cc1C(=O)O	1606061230	WEUDOSHIPBNBFX-UHFFFAOYSA-N	318.373	3.315	10	20	DGCD	
CN(C[C@@H]1CC(C)(C)OC1(C)C)c1ccc(OCC(=O)O)cc1	1606096835	QBZXFVXGEZRXFM-ZDUSSCGKSA-N	321.417	3.180	10	20	DGCD	
CN(CCSc1ccccc1)c1ccc(OCC(=O)O)cc1	1606138909	NPQQAVZISDLPHI-UHFFFAOYSA-N	317.410	3.379	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](CC(=O)O)C(C)(C)C)ccc21	1776875178	MZDAZOHBHMNUPC-KRWDZBQOSA-N	318.461	3.438	10	20	DGCD	
CCc1cccc(NC(=S)NNc2ccccc2[N+](=O)[O-])c1	7351008	RAUWMFLWEOMPJW-UHFFFAOYSA-N	316.386	3.471	10	20	DGCD	
COc1cccc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	11553267	NMYWYMSBCYNGSF-UHFFFAOYSA-N	313.401	3.425	10	20	DGCD	
CCCC[C@@H](CC)C(=O)NCc1ccc(N2CCOCC2)cc1	65835114	NNOXYGXZNVSVNP-QGZVFWFLSA-N	318.461	3.356	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCCN(CC(F)(F)F)CC1	129474296	RZDNUUJYPROPPC-UHFFFAOYSA-N	322.758	3.116	10	20	DGCD	
CC(C)(C)[C@H](Cn1ccnc1)NCc1cccc(Cl)c1O	158118220	PWAAGNGBALZIFC-AWEZNQCLSA-N	307.825	3.447	10	20	DGCD	
Cc1cccc2c1CCN(C(=O)NCc1ccc(N(C)C)cc1)C2	171646381	PYIXFNITYKMBFG-UHFFFAOYSA-N	323.440	3.329	10	20	DGCD	
CC[C@@](C)(NCc1cc2c(cc1O)OCO2)c1nc(C)cs1	174499813	XDEZOLJWHDDDLA-MRXNPFEDSA-N	320.414	3.301	10	20	DGCD	
C[C@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCCC3)cc2)O1	175369285	PNWXEWALNCWDDG-MAUKXSAKSA-N	316.445	3.251	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2C[C@@H](C)Oc3c(F)cccc32)s1	185555318	CINRGTNIEOBDCR-VQCYPWCPSA-N	318.373	3.418	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)[C@@H](c2ccccc2)N(C)C)c1	186456411	UQKUQMBIUXFFSH-KUHUBIRLSA-N	314.429	3.182	10	20	DGCD	
C[C@H](NCc1ccccc1O)c1nc(Cc2ccccc2)no1	191593386	QAJDSDNRGYUONK-ZDUSSCGKSA-N	309.369	3.217	10	20	DGCD	
C[C@@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1	224495803	BDHMMJPLPINFCF-CYBMUJFWSA-N	319.449	3.023	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1	238117447	OOPXHRMMUNYIMS-HNNXBMFYSA-N	308.303	3.231	10	20	DGCD	
CC1(C)CN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2O1	255711728	VSXVHPQNUPAKGC-FPLPWBNLSA-N	312.344	3.438	10	20	DGCD	
O=C(O)CC1(CNCc2ccc3c(c2)CCO3)CCCCC1	277049067	SAAJBMLACPNRGB-UHFFFAOYSA-N	303.402	3.136	10	20	DGCD	
CC[C@H](C)CC(=O)NCc1cccc(Br)c1O	277651623	ZAEJCFRMMWSUAZ-VIFPVBQESA-N	300.196	3.207	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@H]2CCC(=O)[C@@H]2C)cc1	280037487	WKPSXTBOQSDYBB-GDBMZVCRSA-N	316.445	3.154	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cncc(F)c1	282526140	QALGEKIEPFDLPP-UHFFFAOYSA-N	302.349	3.369	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCSC1	288115456	XUIPEUUVDLRLKG-AWEZNQCLSA-N	322.474	3.457	10	20	DGCD	
CS(=O)(=O)Cc1ccc(N[C@H]2CCc3cccc(O)c32)cc1	296954342	QWZXRJHAWQPMMD-HNNXBMFYSA-N	317.410	3.036	10	20	DGCD	
CCCN(Cc1nc(-c2ccco2)no1)Cc1ccccc1O	299572067	BPTVYUBTJRXLOQ-UHFFFAOYSA-N	313.357	3.447	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)CN2CCCCC2)cc1	315660652	ORKFZQBRQRXGKO-KRWDZBQOSA-N	303.494	3.497	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H](C(C)(C)C(=O)O)C2)c1O	321985437	DCCICAMHJCDZBC-CQSZACIVSA-N	321.417	3.114	10	20	DGCD	
CC(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1	356490671	NLCPWHIRSNILAI-UHFFFAOYSA-N	318.380	3.454	10	20	DGCD	
CCC[C@@H](CNCc1cc(Br)ccc1O)OC	378689370	HKJAKAVHTWLKDS-LBPRGKRZSA-N	302.212	3.059	10	20	DGCD	
CCOc1cccc(CNCCSCC(F)(F)F)c1O	698959977	UTPHWSVOGFLQSP-UHFFFAOYSA-N	309.353	3.176	10	20	DGCD	
COc1ccc(N2CCCN([C@H](C)c3ccncc3)CC2)cc1	732198625	ZOKUVYYULUFHCX-MRXNPFEDSA-N	311.429	3.364	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](C2CCCCC2)N(C)C)cc1F	733324676	SAECTCGZLGGWMY-IBGZPJMESA-N	321.484	3.492	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1cccs1	734406240	SFMZOEVQWXYAAO-HJWRWDBZSA-N	300.427	3.452	10	20	DGCD	
C[C@@H](N[C@@H](CCN(C)C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1O	756592791	VLQDOAIAPVBUAT-WBMJQRKESA-N	323.437	3.317	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C)c1cc(OC)ccc1O	756986645	QFECKLVZPQFFBF-JMSVASOKSA-N	306.406	3.340	10	20	DGCD	
CC/C=C\CCN(CC(=O)OC)Cc1cc(Cl)ccc1O	767325764	XIDSYUDKDUAZNR-PLNGDYQASA-N	311.809	3.377	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccccc2O)nn1-c1ccccc1	772585660	UNQRGWVWOLPWBF-UHFFFAOYSA-N	322.368	3.208	10	20	DGCD	
C[C@H](NCC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(N(C)C)cc1	775829943	BEMNUBYAXSGBMQ-OAGGEKHMSA-N	317.477	3.193	10	20	DGCD	
C[C@H]1[C@@H](C)N(Cc2ccc(N3CCCCC3)cc2)CCN1C	775986216	PYYNKKTYMBBSCS-DLBZAZTESA-N	301.478	3.201	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)c(O)c1O	780861458	KWZLVQQRCBCLAZ-UHFFFAOYSA-N	312.369	3.259	10	20	DGCD	
Cc1ccc(C(=O)N2CCC(C3CCCC3)CC2)c(O)c1O	780953561	GWGZYLTZHBVTSU-UHFFFAOYSA-N	303.402	3.449	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1O	788816549	SNTMPQGMKYFDFN-OUAUKWLOSA-N	303.324	3.487	10	20	DGCD	
C[C@@H]1CCC[C@@H]1CNCc1ccc(N2CCOCC2)c(F)c1	798503539	MINONYPEJQAYMC-GDBMZVCRSA-N	306.425	3.188	10	20	DGCD	
COc1cc(F)c(F)cc1NC(=O)NCc1ccccc1O	810271591	XAERXPDFPHUPIK-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
C[C@@H](NC[C@@]1(C)CCOC1)c1cccc(C(F)(F)F)c1O	815579183	HCSCNZDWIYHQAK-QMTHXVAHSA-N	303.324	3.488	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1cccc2c1OCCO2	816527981	HORLPRAEAPKXED-UHFFFAOYSA-N	323.751	3.246	10	20	DGCD	
CC(C)C[C@H](CCO)CNCc1cc(Cl)c(F)cc1O	816554420	YCTWIAKAEXIDLZ-NSHDSACASA-N	303.805	3.319	10	20	DGCD	
C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCc2ccccc2C1	818545147	LVBGTJASNCQEEN-HXUWFJFHSA-N	308.425	3.123	10	20	DGCD	
C[C@H](CNCc1ccc(Br)cc1O)c1ccncc1	825325787	JVIRRTUZTMEZQR-LLVKDONJSA-N	321.218	3.443	10	20	DGCD	
CC[C@@]1(C)CN(Cc2ccc(Br)cc2O)CCO1	825634424	NFURHNCILMFTQZ-AWEZNQCLSA-N	314.223	3.156	10	20	DGCD	
CC(C)c1ncsc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	828885037	RTCYJCFBOPYIEG-JTQLQIEISA-N	320.414	3.039	10	20	DGCD	
Cc1cc(Br)cc(CNC[C@H]2CC[C@@H](C)O2)c1O	835085972	ADWVOYQVHJAYNT-ZWNOBZJWSA-N	314.223	3.120	10	20	DGCD	
C[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCCO1	837653330	KFWFBZAEINCNOH-CQSZACIVSA-N	318.200	3.274	10	20	DGCD	
CCC1(c2ccccc2)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	838188283	ATYJSQZLZXZVLR-PKNBQFBNSA-N	323.392	3.301	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)C(=O)OC(C)(C)C	840397186	TVMBHSMDZPRJOQ-ZDUSSCGKSA-N	321.417	3.109	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1nccn1C	840894446	RNZAYKYOJDFWHE-CABCVRRESA-N	300.450	3.076	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCc1nn(C)c2ccccc12	840936692	CIJKAIDGHHPTOH-UHFFFAOYSA-N	322.456	3.280	10	20	DGCD	
c1nc2ccc(NCc3ccc(N4CCOCC4)cc3)cc2[nH]1	842207367	ASDRXMZSCWNISG-UHFFFAOYSA-N	308.385	3.012	10	20	DGCD	
CN(C)c1ccc(CN(CCCc2cncn2C)C2CC2)cc1	846775863	DDYPXUTWXCSRIJ-UHFFFAOYSA-N	312.461	3.083	10	20	DGCD	
CC[C@H](C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	849359493	QZWSRXSGGBRVKB-NSHDSACASA-N	324.808	3.246	10	20	DGCD	
COc1cc(CNC[C@@H]2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1	850295495	WKLQROJFJHHODY-KBPBESRZSA-N	321.461	3.461	10	20	DGCD	
C[C@H](NC[C@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1O	873294271	RKNXCPCNVQIDGD-XHDPSFHLSA-N	318.367	3.036	10	20	DGCD	
COc1cc(CNCc2ccc(N(C)C)cc2)c(Cl)cc1O	876906191	SNSDYKAMNIMMKK-UHFFFAOYSA-N	320.820	3.410	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1	877122016	FJKBABNMMXNUMW-ASSNKEHSSA-N	303.427	3.289	10	20	DGCD	
CCOC(=O)N1CCC(C)(CN[C@H](C)c2ccccc2O)CC1	877756038	ZXHFJMDDMCTEKP-CQSZACIVSA-N	320.433	3.301	10	20	DGCD	
OCCCOc1ccc(NCc2cc(F)cc(F)c2O)cc1	883119188	QWFCRVMRLURXHV-UHFFFAOYSA-N	309.312	3.044	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@H]1CCO[C@H](c2ccncc2)C1	883136083	ULTGOXJRTQYQMS-HOCLYGCPSA-N	320.339	3.075	10	20	DGCD	
COc1cc(C)cc(CN(C)[C@@H](C)Cc2ccc(O)cc2)c1O	894020550	HJPYAYDNCQGDGE-AWEZNQCLSA-N	315.413	3.478	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](C)Oc2ccccc2F)c1O	894310075	GQJWNCXVTCNGDB-CYBMUJFWSA-N	319.376	3.405	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CC[C@](C)(CC)C1	1263011275	WVASQCGRDBJZOR-HNNXBMFYSA-N	306.435	3.359	10	20	DGCD	
CCN(CC)c1ccc(CNC(=S)NCC2CCC2)cc1	1318380557	YLVXFKORDYQTIE-UHFFFAOYSA-N	305.491	3.297	10	20	DGCD	
CCCN1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1321386465	DYJWLKSEKAMYDH-YJBOKZPZSA-N	317.477	3.194	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1ccccc1O	1522030494	SORNIZAZHRVSHX-FPRZBMBHSA-N	308.381	3.091	10	20	DGCD	
C[C@@H](NCc1ccccc1CC(=O)O)c1c(O)cccc1F	1593304025	KLTMWAYAIDBDTP-LLVKDONJSA-N	303.333	3.009	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(C(=O)O)s1)c1ccccc1O	1599839804	WLNHFVWLIPPBBG-MRVPVSSYSA-N	306.343	3.035	10	20	DGCD	
Cc1csc([C@@H](C)N[C@@H](C)c2cc(C(=O)O)ccc2O)n1	1600654041	DAGFMZSXJYAIJA-VHSXEESVSA-N	306.387	3.267	10	20	DGCD	
CN(Cc1ccc(C(=O)O)cc1)Cc1c(O)ccc2ccncc12	1606154735	PAUOYPNWPYNNMN-UHFFFAOYSA-N	322.364	3.271	10	20	DGCD	
O=C(O)[C@@]1(F)CCN(Cc2cc(-c3ccccc3)ccc2O)C1	1608575686	NEIBQHBRKPQLTD-GOSISDBHSA-N	315.344	3.058	10	20	DGCD	
CSCC[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1C	77603059	GXFOZUINDPEBQS-AWEZNQCLSA-N	323.506	3.344	10	20	DGCD	
CCCC(=O)NC[C@H]1CCCN(Cc2c(O)cccc2Cl)C1	124236810	BIMHMUWLPPQWJL-CYBMUJFWSA-N	324.852	3.174	10	20	DGCD	
Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)s1	173197561	DJZVPMFNRPSHLS-UHFFFAOYSA-N	302.399	3.162	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](CCN(C)C)C(C)(C)C)c1	185471942	KFZVRNIXLPBTBC-CXAGYDPISA-N	308.466	3.418	10	20	DGCD	
CNC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1	195068399	HZOSIMMEUAQVHT-UHFFFAOYSA-N	308.740	3.156	10	20	DGCD	
CC1CCN(c2ccc(C(=O)Nc3ccc(N)cc3)cn2)CC1	236672163	WEJIZFJNYBSXOT-UHFFFAOYSA-N	310.401	3.152	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](c2ccsc2)N(C)C)c1	273297307	AKABCRSSKRIWLK-MLGOLLRUSA-N	320.458	3.416	10	20	DGCD	
C[C@H](NC[C@H](O)CCc1ccccc1)c1ccc(F)cc1O	273475450	SSCMWJKGXZCUKI-XJKSGUPXSA-N	303.377	3.176	10	20	DGCD	
CC[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1O	274799399	URMPZYJYPDVMBH-AWEZNQCLSA-N	311.385	3.146	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H]2CCCN(C(C)=O)C2)cc1	280848867	BJCVACQJTATMAF-WBVHZDCISA-N	317.477	3.052	10	20	DGCD	
CN(Cc1ccccc1O)C[C@@H](O)Cc1cccc(Cl)c1	287750725	LRDAEMVLKRKVPV-INIZCTEOSA-N	305.805	3.081	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](F)[C@H](F)C1	295813461	XDOSCAYGBSAFPM-TXEJJXNPSA-N	310.369	3.288	10	20	DGCD	
COc1ccc(C2(C(=O)NCc3ccc(N)cc3)CCCC2)cc1	297235723	PGPIDQABWVHUQP-UHFFFAOYSA-N	324.424	3.406	10	20	DGCD	
CC(C)(CCNCc1ccccc1O)NC(=O)OC(C)(C)C	380928649	DRXNMXJQIMKEDC-UHFFFAOYSA-N	308.422	3.175	10	20	DGCD	
CN(Cc1ccc(F)c(F)c1)C(=O)/C=C\c1ccc(O)c(O)c1	588405440	QYZOMOBRSYAFQP-DAXSKMNVSA-N	319.307	3.048	10	20	DGCD	
Cn1ccc2cccc(NC(=O)/C=C\c3ccc(O)c(O)c3)c21	588564828	HMXQHSGEUMSQOU-VURMDHGXSA-N	308.337	3.241	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)c1	734065767	DIUPMEWQKURURZ-MELADBBJSA-N	318.417	3.026	10	20	DGCD	
Cc1cccc(CC(=O)NCc2c(O)ccc3c2CCCC3)c1	743717019	GVULZKBCKCCQSD-UHFFFAOYSA-N	309.409	3.438	10	20	DGCD	
COc1csc(C(=O)NCc2ccc(N(C)C)cc2C)c1	746853764	SYXDQKIHBNIKIC-UHFFFAOYSA-N	304.415	3.061	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(-c2ccccc2)nc1O	748344829	CUQIUEBNQMVXJQ-UHFFFAOYSA-N	320.348	3.090	10	20	DGCD	
C[C@@H]1CCCN(C[C@@H](C)N[C@H](C)c2cc(F)cc(F)c2O)C1	756460797	SYFHVLYZZDDQNB-JHJVBQTASA-N	312.404	3.441	10	20	DGCD	
COC1CCN(C(C)(C)CN[C@@H](C)c2cc(C)ccc2O)CC1	756556992	ZGFGZZWDDKTNQU-HNNXBMFYSA-N	320.477	3.241	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2Cc3cccc(O)c3C2)cc1	758546403	OYUQZXWQTSNARJ-QGZVFWFLSA-N	310.441	3.495	10	20	DGCD	
C[C@@H](NC(=O)C1Cc2ccccc2C1)c1ccc(N(C)C)cc1	762276120	KJSIKNURAPMADT-CQSZACIVSA-N	308.425	3.345	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1	770374309	LDASYKSYUJFNBL-DYVFJYSZSA-N	320.864	3.494	10	20	DGCD	
CCN(C)c1ccc(CN(CC(=O)OC)C2CCCC2)cc1	773766619	UDTQMMVTHPEHQC-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
C[C@H](NC(=O)c1ccc(Cl)nc1)c1ccc(N(C)C)cc1	773988527	LTJUZMNLNARMBE-NSHDSACASA-N	303.793	3.292	10	20	DGCD	
CC[C@@H](NC[C@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O	775525317	KKCYHLWVYUJOTR-PWSUYJOCSA-N	311.731	3.400	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]2C(C)C)cc1	776042388	OXKNWCFSKBSHCM-QGZVFWFLSA-N	303.450	3.473	10	20	DGCD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCc1cc(Cl)cc(F)c1O	776223536	JJGPEYWKCSFTOZ-GLQYFDAESA-N	313.800	3.478	10	20	DGCD	
C[C@H](CC[S@](C)=O)N[C@H](C)c1cccc(C(F)(F)F)c1O	788669814	PNFWOCYEXBHTPZ-QDXVKYEASA-N	323.380	3.219	10	20	DGCD	
CCCN(CCC(=O)Nc1cccnc1)Cc1ccccc1O	792231031	FFIGCARZSASTID-UHFFFAOYSA-N	313.401	3.028	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)c(C(F)(F)F)c1	793095095	YJHHJBVLCKBTGO-ZIAGYGMSSA-N	316.367	3.020	10	20	DGCD	
CC[C@@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1O	794815718	LDKMQLQDFWQSMV-DOTOQJQBSA-N	319.445	3.470	10	20	DGCD	
COc1ccc(N(CCC(C)C)C[C@H](O)COC(C)C)cc1	796503071	HADDNBUQZCOISG-KRWDZBQOSA-N	309.450	3.334	10	20	DGCD	
Oc1c(CNc2cccc(-n3cnnn3)c2)ccc2ccccc12	816479478	MQHXQCHHQXWBNQ-UHFFFAOYSA-N	317.352	3.133	10	20	DGCD	
CCCN(C)C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816516839	SPZMDXBDFIUMED-LBPRGKRZSA-N	314.832	3.348	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3nc(C)cnc3C)C2)cc1	819935496	MNRHVHUVICSJBT-OAHLLOKOSA-N	312.417	3.040	10	20	DGCD	
CC[C@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1	822862603	IPRFQRUULPVWAM-LLVKDONJSA-N	320.330	3.487	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccon1	822898235	LCLGPGFZIHYWFP-UHFFFAOYSA-N	315.417	3.110	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C(=O)OC(C)C)C(C)C)c1	824846630	UTEZTZWYKSNWFZ-LRDDRELGSA-N	309.406	3.028	10	20	DGCD	
Cc1ccc([C@@H](O)CNCc2cc(Cl)c(C)cc2O)cc1	825130734	DZLAQUHRJVXDTC-KRWDZBQOSA-N	305.805	3.486	10	20	DGCD	
COc1cc(CN2C[C@@H](CO)C[C@@H](C)C2)c(O)c(C(C)(C)C)c1	826130829	MIHNJLWHRZOLOM-KGLIPLIRSA-N	321.461	3.149	10	20	DGCD	
Cc1cc(CN2CCC[C@](C)(O)C2)ccc1N1CCCCC1	828582827	LQNRCFDVHUHDTB-IBGZPJMESA-N	302.462	3.332	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc([C@H](C)N)cc1	829764560	OUECFVCZOAQZKK-AWEZNQCLSA-N	311.429	3.011	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](c2ccccc2)C1	832826556	MGOPPJLMIFGAIU-ZDUSSCGKSA-N	315.344	3.257	10	20	DGCD	
COCCOc1ccc(NCc2ccc(N(C)C)cc2C)cn1	840878570	HBTYGPJHIUIURD-UHFFFAOYSA-N	315.417	3.093	10	20	DGCD	
CC[C@H](CCNCc1cc(Cl)cc(Cl)c1O)C(=O)O	841820263	OPZYERJCONQWSR-MRVPVSSYSA-N	306.189	3.290	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2scnc2C)cc1	844402993	YTVMOKBLDFKTOP-UHFFFAOYSA-N	305.447	3.028	10	20	DGCD	
CCc1cccc(CN[C@@H](CCO)c2ccccc2F)c1O	848919430	KSWULKIXIAZDNJ-KRWDZBQOSA-N	303.377	3.307	10	20	DGCD	
CC[C@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O	850557945	ORZLOYSSXWENSJ-ZBFHGGJFSA-N	318.461	3.388	10	20	DGCD	
C[C@H](NCC1CCN(CC2CC2)CC1)c1cc(F)cc(F)c1O	850580820	BJVDWSQBVDSMTQ-LBPRGKRZSA-N	324.415	3.443	10	20	DGCD	
CC(C)(C)c1[nH]cnc1C(=O)NCCCSc1nccs1	865783980	UTXYBTBXMHEFFB-UHFFFAOYSA-N	324.475	3.076	10	20	DGCD	
Oc1cc(OCc2ccccc2)ccc1CNC1CSC1	877634021	COARKJSJHGXPDG-UHFFFAOYSA-N	301.411	3.176	10	20	DGCD	
Cc1cc(C(=O)N2CCC[C@@H](CF)C2)c(C)n1-c1ccccn1	881593183	BGGXSRYMBDRSBX-HNNXBMFYSA-N	315.392	3.311	10	20	DGCD	
C[C@@H]1COC[C@H]1NCc1ccc(OCc2ccccc2)cc1O	896737358	RRYAZBNSYZBJSG-RDTXWAMCSA-N	313.397	3.096	10	20	DGCD	
Nc1ccc(CCNc2cc(Cl)nc([C@@H]3CCCO3)n2)cc1	905626139	BHZRPRLVNLHGFS-ZDUSSCGKSA-N	318.808	3.218	10	20	DGCD	
CCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)[C@@H](C)C1	1035876987	ZAFRLJNEXNYAFP-DOTOQJQBSA-N	318.461	3.130	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCCC(F)(F)[C@H]1O	1331382488	LAQRSANQEFQPKX-YMEQNVIZSA-N	311.372	3.387	10	20	DGCD	
C[C@H](N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1ccsc1	1589952361	NNQAIDJNEPMGTL-UWVGGRQHSA-N	315.402	3.046	10	20	DGCD	
CC(C)Oc1ccc2c(c1)CCCN2CC1(CC(=O)O)CC1	1776360351	BOJVLJGAALEZIT-UHFFFAOYSA-N	303.402	3.481	10	20	DGCD	
COc1ccc(CNCc2cc(F)c(C(=O)O)c(F)c2)cc1C	1777364351	QGPRSRWSVBSZTK-UHFFFAOYSA-N	321.323	3.270	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2ccc3c(c2)CCC3)cc1	8171862	HOCTYDZMAHPFKT-UHFFFAOYSA-N	308.425	3.100	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2[nH]cnc2c1	66096744	JZZCWRGSTTZPRC-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
CCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1	173203227	HGWDIEKXICPJRF-UHFFFAOYSA-N	310.397	3.354	10	20	DGCD	
COc1ccc2c(c1)CN(Cc1cc(C)cc(OC)c1O)CC2	178866855	OSJZQIBYJPEBLE-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(OC)c1O	184702200	VSTRXTHRQWCDLW-CABCVRRESA-N	324.852	3.113	10	20	DGCD	
Cc1nccn1CCCCN[C@H](C)c1ccc(F)c(F)c1O	187734355	PLATVAWEZARABZ-LLVKDONJSA-N	309.360	3.306	10	20	DGCD	
CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1O	188491729	UGEHWAKYIITWJS-QWHCGFSZSA-N	300.402	3.063	10	20	DGCD	
FC(F)COCCN1CCCc2cc(OC(F)F)ccc21	189614000	WCNSPSKBHXUJTO-UHFFFAOYSA-N	307.287	3.322	10	20	DGCD	
CO[C@@](C)(C(=O)N(C)Cc1ccccc1O)c1ccccc1F	192166324	UKKOKXAKTXCWMU-GOSISDBHSA-N	317.360	3.052	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2CCN(C)c3ccc(F)cc32)s1	255366189	HAVAUWASSNMWGC-XQRVVYSFSA-N	317.389	3.087	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)C(C)C	268841724	NLVWQTMJOXCERE-LJQANCHMSA-N	304.478	3.420	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(C)(C)CC	273238817	PUNWFWPAQBCAGA-AWEZNQCLSA-N	306.450	3.298	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCSC1	279333703	QKWSRTOYTAPVMV-ZDUSSCGKSA-N	308.447	3.067	10	20	DGCD	
COCC[C@H](CO)N[C@@H](C)c1ccc(N2CCCCCC2)cc1	281721256	UOQFAPJLAZNCAC-FUHWJXTLSA-N	320.477	3.115	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(C)n1C	282560341	UFKQPHLCVCUVDT-UHFFFAOYSA-N	300.402	3.482	10	20	DGCD	
CC[C@H](NCCCN1CCCO[C@@H](C)C1)c1ccc(F)cc1O	287534719	PCOKPDIZORSUQK-YOEHRIQHSA-N	324.440	3.073	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(NC)nc1	288976773	FZQUYUPTELWPHN-UHFFFAOYSA-N	313.401	3.271	10	20	DGCD	
CC[C@H](CN[C@H](C)c1ccc(Br)cc1O)OC	290017145	CCRAPAZEHWEPKU-MWLCHTKSSA-N	302.212	3.230	10	20	DGCD	
C[C@H](NC[C@@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1O	290251028	JWVQVIFKPIKEJD-NWDGAFQWSA-N	314.341	3.127	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1C	298390491	QPQCOXHLVDYOMZ-UHFFFAOYSA-N	311.429	3.204	10	20	DGCD	
Cc1cccc(CN[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1O	309724042	MZVAMLSBTNOMES-QFBILLFUSA-N	310.441	3.453	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC(OCC3CC3)CC2)c1	371337200	TUKMHLCTOATREP-UHFFFAOYSA-N	305.418	3.182	10	20	DGCD	
Cc1c(CNC(=O)c2c[nH]nc2C(C)(C)C)n(C)c2ccccc12	509749043	DBEVEAFVHNEVTM-UHFFFAOYSA-N	324.428	3.437	10	20	DGCD	
C[C@@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O	724943318	NPUORPFEHXCHDU-CHWSQXEVSA-N	306.406	3.052	10	20	DGCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)[C@H]1C=CCCC1	731845052	PSAXYCBCXSGCTE-AWEZNQCLSA-N	309.793	3.129	10	20	DGCD	
O=C(OCc1ccc(OC(F)F)cc1)c1cc(O)cs1	732353520	SEUYHCULXVKDNA-UHFFFAOYSA-N	300.282	3.412	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)Cc2cnccn2)cc1F	740003885	AHWDTJODZXQPFC-AWEZNQCLSA-N	316.424	3.183	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)ns2)c1	749231859	DQKXMNHDUPBGLP-SECBINFHSA-N	307.375	3.048	10	20	DGCD	
CCN(CCNCc1c(O)cccc1Cl)CCC(F)(F)F	755221543	ZUWNHUDSWHKTAX-UHFFFAOYSA-N	324.774	3.410	10	20	DGCD	
Cc1n[nH]cc1CCCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	756398432	GADXJZYNODZKHP-IINYFYTJSA-N	303.381	3.334	10	20	DGCD	
CC(=O)Nc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	756794444	HTJJGFYYVADCAM-JTQLQIEISA-N	315.329	3.432	10	20	DGCD	
O=C(OCc1nc2ccccc2s1)c1cccc(O)c1O	758579299	FVQGOZIHENDDOL-UHFFFAOYSA-N	301.323	3.065	10	20	DGCD	
CCOc1ccc(CN(C)c2ccc(OC)c(OC)c2)c(O)c1	761220439	CUOVUZWSGHOJFY-UHFFFAOYSA-N	317.385	3.445	10	20	DGCD	
CCOc1cccc(CN(Cc2ccccc2)C[C@@H](C)O)c1O	768893950	WHHIGSQRGBXWJG-OAHLLOKOSA-N	315.413	3.174	10	20	DGCD	
CCOc1ccc(CN(C)[C@H]2C[C@@H](OCC)C2(C)C)c(O)c1	769474877	SWQZKCDJXDMQJC-DLBZAZTESA-N	307.434	3.426	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@H]2CCC[C@@H]2O)cc1F	770292662	NWZRPDGJWHXJIU-QAPCUYQASA-N	308.441	3.265	10	20	DGCD	
C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(N(C)C)cc1	773008065	BOBVVXBTYKFFRX-JTQLQIEISA-N	319.386	3.213	10	20	DGCD	
CC(C)OCCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773438935	GOAWECFOIBLKNX-OAHLLOKOSA-N	321.465	3.318	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2c(C)nc3ccccn23)c1	775373071	LXEOLOOTFVARAL-GFCCVEGCSA-N	311.385	3.208	10	20	DGCD	
C[C@@H]1CCCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775999001	UFJFFVLXGRDFAG-QGZVFWFLSA-N	301.478	3.060	10	20	DGCD	
CCOC(=O)c1ccc(CNCc2ccc(OC)c(C)c2)o1	776153905	IUROUAQLXCZTBO-UHFFFAOYSA-N	303.358	3.063	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCO[C@H](C)C1	776300976	IZUPQKUSXHHOOI-NVXWUHKLSA-N	318.461	3.305	10	20	DGCD	
Cc1ccc2cccc(S(=O)(=O)Nc3ccc(O)cc3)c2n1	776745994	SHRCCRDNKALVQS-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
COc1ccc(N(C)Cc2cnc3cnccn23)cc1Cl	780779524	JMXCLLYKYXDWSN-UHFFFAOYSA-N	302.765	3.028	10	20	DGCD	
CC(C)=C[C@@H]1[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1(C)C	782220942	LGZUKMNFQSEEGM-MLGOLLRUSA-N	318.369	3.062	10	20	DGCD	
COc1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])c(O)c1	793391415	YFAFTVBVXCZLEG-XQRVVYSFSA-N	314.341	3.112	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](c3ccccn3)C2)c1O	799192229	CZCAOKIASPNAPL-CYBMUJFWSA-N	314.360	3.118	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H](N)C1)c1cccc(C(F)(F)F)c1O	817970392	UKPWNVZTZZOBQW-HBNTYKKESA-N	302.340	3.332	10	20	DGCD	
Cc1cc(C)c(N2C(=O)CN(Cc3ccccc3O)C2=O)c(C)c1	819008522	TUFMWGBRTYHCHG-UHFFFAOYSA-N	324.380	3.286	10	20	DGCD	
Cc1cc(CN2[C@H]3CC[C@H]2CC(O)C3)ccc1N1CCCCC1	827799332	XWBAWOBGBHYBKJ-ROUUACIJSA-N	314.473	3.473	10	20	DGCD	
CCCN(CCC)CCCC(=O)N[C@H](C)c1ccccc1O	827931115	YNGAIDJCXMBWKV-OAHLLOKOSA-N	306.450	3.472	10	20	DGCD	
C[C@H]1CCCN(C(C)(C)CN[C@H]2CCc3cccc(O)c32)C1	834531454	ZMIQSRMYNUBNFZ-HOCLYGCPSA-N	302.462	3.480	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H](C2CCC2)C2CC2)cc1	836250359	NIDFLRWVZUAZSX-QGZVFWFLSA-N	301.434	3.131	10	20	DGCD	
Cc1cccc(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1	840326822	XQSJPANLCRAUAS-UHFFFAOYSA-N	319.355	3.117	10	20	DGCD	
CC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1	840760921	KTFLDGNOMRMKQL-MRXNPFEDSA-N	310.388	3.080	10	20	DGCD	
CC[C@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	840881660	PHIJIAKMYLBVJQ-GUYCJALGSA-N	321.367	3.487	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccnc(OC(F)F)c1	840943344	NOTWLMWCMOQQEW-UHFFFAOYSA-N	321.371	3.347	10	20	DGCD	
C[C@H]1CCC[C@@H](N2CCC(NCCc3ccc(N)cc3)CC2)C1	841034703	JSPJGNAWCJJUHM-OXJNMPFZSA-N	315.505	3.444	10	20	DGCD	
N[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1c1cccc(F)c1	841104706	XWCHZYMHCSRYEW-GOEBONIOSA-N	320.795	3.111	10	20	DGCD	
C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(Cl)cc1O	841759693	PJHDAKUMMHNIFG-POJUEXTFSA-N	303.789	3.355	10	20	DGCD	
CN(Cc1cccc(Cl)c1O)C[C@]1(O)CCc2ccccc21	843422912	YNORCXJHXOQYRT-GOSISDBHSA-N	317.816	3.311	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2sc(C)nc2C)c1O	846145133	LRFBYOOJXAMTTC-SNVBAGLBSA-N	306.431	3.367	10	20	DGCD	
CCc1cccc(CNc2ccc([S@@](C)=O)c(F)c2)c1O	848890736	KWTFSVZZXFXLCR-OAQYLSRUSA-N	307.390	3.443	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	849230164	CGBKMBUSHVGMOX-KSSFIOAISA-N	312.413	3.099	10	20	DGCD	
CC1(C)C[C@@]1(C(=O)NCCc1ccc(N)cc1)c1ccccc1	851632784	WRRNZGJBGISVMH-FQEVSTJZSA-N	308.425	3.295	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN1CC(F)F)c1cc(Cl)ccc1O	858479397	QYYRKFVJLJCOMW-PWSUYJOCSA-N	318.795	3.426	10	20	DGCD	
CCN(CCNC(=O)OC(C)(C)C)Cc1cccc(C)c1O	862468447	IHTJFUZIWSGEHD-UHFFFAOYSA-N	308.422	3.047	10	20	DGCD	
OC1CCN(c2ccc(CN3Cc4ccccc4C3)cc2)CC1	876695657	DTRQMVBKKILOBG-UHFFFAOYSA-N	308.425	3.164	10	20	DGCD	
Cc1ccc(C2(C(=O)N(C)c3ccc(N)cc3)CCOCC2)cc1	877078468	QPUOZMJURRRGDT-UHFFFAOYSA-N	324.424	3.288	10	20	DGCD	
Oc1c(Cl)cccc1CNCCn1ccc(C(F)(F)F)n1	877807921	YSTXNCGPYNPDFG-UHFFFAOYSA-N	319.714	3.051	10	20	DGCD	
CC1(C)CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	888585904	RLCDDCUJWZRFBA-UHFFFAOYSA-N	321.384	3.270	10	20	DGCD	
COc1ccc(CNC[C@@H](C)c2nc(C)cs2)c(O)c1OC	893562765	FGDRXLCOVLIMAW-SNVBAGLBSA-N	322.430	3.068	10	20	DGCD	
c1ccc(-c2noc(CNCc3ccc4c(c3)CCCO4)n2)cc1	893621020	IIXWXMWRBOQCET-UHFFFAOYSA-N	321.380	3.351	10	20	DGCD	
C[C@H](Cc1ccsc1)NC(=O)NCc1ccc(N(C)C)cc1	918542456	YDMCTOKRRNEBAO-CYBMUJFWSA-N	317.458	3.245	10	20	DGCD	
CCCCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1	1181029566	RBDRWGRYFXFQHR-QGZVFWFLSA-N	318.461	3.274	10	20	DGCD	
CN(Cc1cc(Cl)c(F)cc1O)[C@@H](C(=O)O)c1ccccc1	1606147478	KQVHSQAHBBZWKU-OAHLLOKOSA-N	323.751	3.442	10	20	DGCD	
Cc1ccc(NC(=S)NNc2cccc(C(=O)O)c2)cc1F	1607807559	NWECNPKGAVXWGW-UHFFFAOYSA-N	319.361	3.146	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCCOc2ccccc2)cc1	8171084	QEVWQSIHFAPCPF-UHFFFAOYSA-N	312.413	3.228	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC(F)(F)F	48693943	TWZJDAQVELCDFB-UHFFFAOYSA-N	302.321	3.448	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCSCC1	48791245	SLDPEWMOLVGJDL-UHFFFAOYSA-N	306.456	3.345	10	20	DGCD	
COCCN(Cc1cccc(F)c1)c1ccc(OC)c(OC)c1	81155810	ZQEJEBJGENVZTQ-UHFFFAOYSA-N	319.376	3.496	10	20	DGCD	
CCCCCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84814724	FNYQMEYPEVWHEB-UHFFFAOYSA-N	308.397	3.063	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCOC1CCCCCC1	118586003	MQOQUSZGWTWJEM-UHFFFAOYSA-N	320.433	3.273	10	20	DGCD	
COc1ccc(N(C)Cc2cccc(C(N)=O)c2)cc1Cl	121974450	GLUOPQFZRLBJRI-UHFFFAOYSA-N	304.777	3.084	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cncs1	155303764	KMENGOQLUMQJMJ-KGLIPLIRSA-N	317.458	3.392	10	20	DGCD	
CC[C@@H](NCCCOC[C@@H]1CCOC1)c1ccc(N(C)C)cc1	158212938	BRUNNPZREDULLO-QFBILLFUSA-N	320.477	3.237	10	20	DGCD	
C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1ncccn1	164367703	MOQMAKKJVXGAHM-VIFPVBQESA-N	322.459	3.350	10	20	DGCD	
CCCc1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1	172990498	YKCZBIRAJQRQAL-UHFFFAOYSA-N	317.458	3.434	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c(O)c1O	177666111	HWNXKAKEAYTRCR-UHFFFAOYSA-N	315.344	3.350	10	20	DGCD	
COc1ccc(N(C)Cc2cn3c(C)cccc3n2)c(OC)c1	179004144	RGHGLTJVTDJECF-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(O)c1O	179400834	KIHBPLBUAWJYRN-NSHDSACASA-N	303.333	3.379	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O	179879622	WVBLZSHYOPDSAR-ZIAGYGMSSA-N	320.433	3.442	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@H](C)c2cccnc2)c1O	181641942	HSPXRRRCGINQOM-SNVBAGLBSA-N	304.777	3.494	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)c2nc(C(C)C)no2)c1	182432007	LEOVLLKSAJRRHR-GHMZBOCLSA-N	305.378	3.319	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccccc2N(C)C)c1	182449373	MLWYNKCWYGTYMB-ZDUSSCGKSA-N	300.402	3.318	10	20	DGCD	
COc1cc(Cl)cc(CN(C)C[C@H]2CCCC[C@@H]2O)c1O	184711883	CUXQQIHPRKUCMR-RISCZKNCSA-N	313.825	3.037	10	20	DGCD	
Nc1ccc(CCNC(=O)C[C@H]2CCCc3ccccc32)cc1	237937302	IVLANUPGMDWWES-QGZVFWFLSA-N	308.425	3.438	10	20	DGCD	
CCN(CC)c1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1	246123130	KLOPYCHTQYNVQC-QZTJIDSGSA-N	320.502	3.239	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H](CO)c2c(F)cccc2F)c(O)c1	273537016	XPYYPFUAFJEDBV-NHYWBVRUSA-N	307.340	3.363	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CCN2CCCC[C@@H]12	315573665	PVBWQJMHXDPRAG-UGUYLWEFSA-N	300.446	3.465	10	20	DGCD	
CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc(O)cs1	732277335	GBBQGRCERDCPGQ-UHFFFAOYSA-N	315.398	3.035	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCc2coc3ccccc23)cc1	734006024	ZMVBHJTZAYVHII-UHFFFAOYSA-N	323.396	3.498	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(C(C)C)on1	743222328	YCAZERYLFUTCGY-UHFFFAOYSA-N	316.405	3.494	10	20	DGCD	
CN1CCCc2cc(CNc3ncnc4ccncc34)ccc21	752637297	ZPLZHNSABMCJCM-UHFFFAOYSA-N	305.385	3.019	10	20	DGCD	
CC(C)[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)N1CCCC1	756397930	ANYLJJXAMUZNDC-XJKSGUPXSA-N	321.421	3.071	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)O1	756916354	LWNYURVRYYSAPX-ZWKOTPCHSA-N	318.461	3.447	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccco2)c2ncccn2)cc1	759696576	JLXSGJWSDPWAIQ-UHFFFAOYSA-N	308.385	3.342	10	20	DGCD	
CC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C	763501554	NTOAGGLCPORKPY-CQSZACIVSA-N	310.413	3.102	10	20	DGCD	
COc1ccc(N(C[C@@H]2CC3(CC3)C(=O)O2)C(C)C)cc1F	763721264	DJVXQNVFKXTZAJ-ZDUSSCGKSA-N	307.365	3.145	10	20	DGCD	
C/C=C/C[C@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C	771620711	NBSLHLYYWYKLTE-ISZGNANSSA-N	318.442	3.213	10	20	DGCD	
CCO[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	773610736	FVMAFPHVUHQLIB-YOEHRIQHSA-N	319.449	3.024	10	20	DGCD	
Cc1c(S(=O)(=O)Nc2ccc(O)cc2)oc2ccc(F)cc12	776745164	FPAYFUMATOKELA-UHFFFAOYSA-N	321.329	3.387	10	20	DGCD	
COc1ccc2c(c1)CCCN2C(=O)/C=C\c1scnc1C	776749694	DGSZVAROKRLOKL-FPLPWBNLSA-N	314.410	3.453	10	20	DGCD	
Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(O)cc1	777905265	FLOLIYZKSVZQIE-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
CC[C@H](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	779875580	ZZSMBTIWHMUNDI-ARFHVFGLSA-N	318.461	3.383	10	20	DGCD	
Cc1ccn(-c2ccc(NC(=O)NCc3ccccc3O)cc2)n1	794399357	XXPHVZUNLUQMNI-UHFFFAOYSA-N	322.368	3.208	10	20	DGCD	
CCOc1ccc(CNC(C)(C)c2c(C)noc2C)c(O)c1	796528096	OVJSCSNAGYZARG-UHFFFAOYSA-N	304.390	3.421	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1ccco1)c1cccc(C(F)(F)F)c1O	798179477	BTFYNIANOTZDLD-BXKDBHETSA-N	315.291	3.388	10	20	DGCD	
C[C@H](Nc1nnc(C(F)F)o1)c1ccc(N2CCOCC2)cc1	814360595	FDXLEMOPCOZFLN-JTQLQIEISA-N	324.331	3.017	10	20	DGCD	
CC(C)C[C@H](CN)N[C@H](C)c1cc(Br)ccc1O	817957558	CVYPMLZFZYGNAD-ZYHUDNBSSA-N	315.255	3.179	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1C	822210776	QQUUQBOETKRETG-CYBMUJFWSA-N	323.400	3.040	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](n3ccnc3)C2)cc1Cl	824690091	YTAZESVNPUPRRM-AWEZNQCLSA-N	305.809	3.388	10	20	DGCD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@H](C)c1ccccc1O	827930955	WNURLWNQNYFHPO-LLVKDONJSA-N	315.417	3.452	10	20	DGCD	
CCOc1ccc(O)c(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1	830085387	VRXSHUOWUWSTFA-MAZHCROVSA-N	319.401	3.009	10	20	DGCD	
CC1(C)CN(C(=O)c2cc(O)cs2)C[C@@](C)(C(F)(F)F)O1	832876584	DXSQSIAGBGNIHJ-LBPRGKRZSA-N	323.336	3.026	10	20	DGCD	
C[C@@H](CCCc1cccnc1)NCc1cc([N+](=O)[O-])ccc1O	834554821	GYRWSIMLXSQLOJ-ZDUSSCGKSA-N	315.373	3.196	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCCC2(F)F)c1	834885416	KNQJSNDTLOTUDY-JQWIXIFHSA-N	313.344	3.265	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc(N(C)C)cc1	836782984	OXUCGFAEJNWWLS-DOPJRALCSA-N	309.413	3.129	10	20	DGCD	
CCCCCCO[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	840415753	HVJXUUWVQUVINZ-UONOGXRCSA-N	323.433	3.130	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)CS1	840854854	HCVBOPBCJQBEMF-FMKPAKJESA-N	306.475	3.068	10	20	DGCD	
CCN1CCC(N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1	840892569	BGNDIRYYGWAHQE-INIZCTEOSA-N	303.494	3.066	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)Cc1cnccn1	840894052	OUCXIKUCRYOHJM-JKSUJKDBSA-N	312.461	3.003	10	20	DGCD	
C[C@H]1CCCC[C@H]1N1CCC(NCCc2ccc(N)cc2)CC1	841033879	CSEZILQTKKIYCD-OXJNMPFZSA-N	315.505	3.444	10	20	DGCD	
C[C@@H](NC[C@@]1(N(C)C)CCSC1)c1ccc(Cl)cc1O	841756225	WCILOQGULPEAJA-ABAIWWIYSA-N	314.882	3.134	10	20	DGCD	
COc1ccc(CN[C@H](CC(=O)O)c2ccsc2)cc1C	841795423	QTOAKCYIKMWRKK-CQSZACIVSA-N	305.399	3.371	10	20	DGCD	
CCCN(Cc1cc(Cl)cc(OC)c1O)C1CCNCC1	843044579	JXSYRZRUPNTUGS-UHFFFAOYSA-N	312.841	3.018	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)Nc1cc2c(cn1)CCC2	844690135	HKKRACQEQQWSCS-UHFFFAOYSA-N	317.776	3.251	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](c2ccnn2C)C(C)C)c1O	846165002	KASKISLKKWKYAA-HIFRSBDPSA-N	317.433	3.225	10	20	DGCD	
CC(C)(CCC(=O)OC(C)(C)C)NC(=O)c1cc(O)cs1	846656069	WWPFRUZSWPECSH-UHFFFAOYSA-N	313.419	3.084	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N[C@H]3C=CCC3)cc2)CC1	852080891	HQNPFIUVWPPLBN-KRWDZBQOSA-N	313.445	3.441	10	20	DGCD	
CCOc1cccc(CNC[C@H]2CCCN(CC3CC3)C2)c1O	853093189	DMTUNGDMHHJGOZ-MRXNPFEDSA-N	318.461	3.003	10	20	DGCD	
C[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1	858199309	IGWZOCZWLNTYJT-AWEZNQCLSA-N	300.402	3.498	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1C[C@]1(C)c1ccccc1)c1ccccc1O	868308895	CTNBHDVQZNFSLK-XVGQJIODSA-N	310.397	3.483	10	20	DGCD	
CC(C)C[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)CCO1	868479848	LKCUIUHFTXQGDW-RBSFLKMASA-N	320.433	3.346	10	20	DGCD	
CCCOc1ccc(CNCC2(OC)CCOCC2)cc1C	873093110	MQZAYRSDSVSMJX-UHFFFAOYSA-N	307.434	3.069	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)cc1	902030027	RWXZXVQOKXQKBL-JQHSSLGASA-N	316.445	3.218	10	20	DGCD	
C[C@@H](OCC1CC1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	920772076	MSDBZGBGVKVQDH-CQSZACIVSA-N	316.445	3.059	10	20	DGCD	
Cc1cc(O)c(C(C)C)cc1C(=O)NCc1cccc(O)c1O	1548791641	VCAOPCYWOSJNNP-UHFFFAOYSA-N	315.369	3.165	10	20	DGCD	
COc1ccc(N[C@@H](C)c2cc(C(=O)O)ccc2O)cc1OC	1599599147	HUCMFNKTQATXKC-JTQLQIEISA-N	317.341	3.281	10	20	DGCD	
CCC[C@@H](C)C[C@H](NCc1ccc2c(c1)CCN2CC)C(=O)O	1776752151	BIFULVPSZBAEDX-PBHICJAKSA-N	318.461	3.438	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CC[C@](F)(C(=O)O)C2)cc1C	1776821557	IKMRIVLPEARNIV-RHSMWYFYSA-N	309.381	3.219	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(-c2cccs2)n[nH]1	77258415	NMHYTVMKSGBUOO-UHFFFAOYSA-N	313.382	3.116	10	20	DGCD	
CN(C)C1(CNCc2cc(Cl)cc(Cl)c2O)CCC1	97928998	PNEHCRNYRYGMAS-UHFFFAOYSA-N	303.233	3.273	10	20	DGCD	
C[C@H](c1ccc(F)cc1)N(C)Cc1cc2c(cc1O)OCO2	122189051	CILOFOQQKJJCII-LLVKDONJSA-N	303.333	3.453	10	20	DGCD	
COc1ccc(N2CCN(c3nc(Cl)cs3)CC2)cc1	127605711	XRGJSYPNYOISSW-UHFFFAOYSA-N	309.822	3.132	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)C[C@H]1C	130414222	SQVXDMYGPLFQAJ-CZUORRHYSA-N	303.402	3.136	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1cc(F)cc(F)c1	131737046	ASJCIZBZAPQQSE-UHFFFAOYSA-N	318.323	3.054	10	20	DGCD	
CC[C@@H](Nc1ccc(OCC(=O)NC)cc1)c1ccccc1O	157757420	ZTFKPLSLOGTINP-MRXNPFEDSA-N	314.385	3.080	10	20	DGCD	
CC(C)=CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	158079475	BDSCAHXYDSHPPT-OAHLLOKOSA-N	322.836	3.092	10	20	DGCD	
CCS[C@H]1CCCCN(C(=O)c2ccc(C)c(O)c2O)C1	177685494	HOTXOXVLYYYSML-LBPRGKRZSA-N	309.431	3.154	10	20	DGCD	
Cc1noc(C2CCN(Cc3cccc(Cl)c3O)CC2)n1	179756263	RDYYCEZDAQJLOP-UHFFFAOYSA-N	307.781	3.117	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2ncccc2c1	180662696	RLJVQUHPRILFOW-XBXARRHUSA-N	306.321	3.298	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1cccc(F)c1	183452713	DOKRJZCVCKJPQA-RYUDHWBXSA-N	317.360	3.088	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1ccccc1O	184566228	GZRJKJKJPJPILI-PBHICJAKSA-N	305.418	3.336	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2COC3(CCCCC3)O2)c1	186230521	XEXBUMUVUQKTHV-UKRRQHHQSA-N	321.417	3.127	10	20	DGCD	
C[C@@H](N[C@H](C)c1nnnn1C1CC1)c1ccc2ccccc2c1O	189146835	OVLFKEPSQDVXGK-VXGBXAGGSA-N	323.400	3.279	10	20	DGCD	
CC[C@H](C)[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1	268812366	FCMKMZHQBRVWNK-HOTGVXAUSA-N	304.478	3.420	10	20	DGCD	
Cc1ccccc1C1(C(=O)Nc2ccc(N)cc2)CCOCC1	269115829	HJRSSDKRLAVDSV-UHFFFAOYSA-N	310.397	3.264	10	20	DGCD	
CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1O	287643184	KYHFFAYWNOVYQD-SMDDNHRTSA-N	320.824	3.001	10	20	DGCD	
Cc1nnc(CCNCc2ccc(N3CCCCC3)cc2)s1	289807425	LKIZXWWZENFBCT-UHFFFAOYSA-N	316.474	3.169	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1ccc(N3CCCC3)nc1)CC2	296147117	WOOLTXPRJMZWNM-MRXNPFEDSA-N	309.413	3.165	10	20	DGCD	
Cc1cc(C(=O)NCCCCN(C)C)c(C)n1-c1ccccc1	299301492	BKYKOUXSYIKGLJ-UHFFFAOYSA-N	313.445	3.166	10	20	DGCD	
Cc1c(CNC(=O)N(C)[C@H]2CCSC2)n(C)c2ccccc12	350079996	NVWNXBDRSWLGKY-ZDUSSCGKSA-N	317.458	3.134	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC([C@@H]3CCOC3)C2)cc1	366846215	OCBWULQRYDWKOD-QGZVFWFLSA-N	324.424	3.203	10	20	DGCD	
CN1CCC([C@H]2CCN(Cc3cc(Cl)ccc3O)C2)CC1	367687037	NBMQULYEDZCNLH-AWEZNQCLSA-N	308.853	3.209	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnc3n2CCCC3)cc1	376729129	OHDLMZHPSVDEJC-UHFFFAOYSA-N	312.461	3.355	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@H]1CCN1Cc1ccccc1	716239816	UKBWLDPGKQTOIK-QGZVFWFLSA-N	316.832	3.410	10	20	DGCD	
COCCCOC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	729075204	IRGMXUQCBKCJQJ-UHFFFAOYSA-N	305.349	3.427	10	20	DGCD	
C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc(O)cs1	732278280	GGLMIWGIRLFEIV-VIFPVBQESA-N	318.423	3.424	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1	740423839	UETVIPFQBJDFLA-GASCZTMLSA-N	304.434	3.311	10	20	DGCD	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1	747864257	MIIIUCXFRZRWLJ-HALDLXJZSA-N	303.450	3.377	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nc(Cl)ccc1F	759112830	BPQJXHHBXURUCK-UHFFFAOYSA-N	321.783	3.179	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c(F)cccc2OC)c1	761541836	OIWIIZVMZUKYMC-JTQLQIEISA-N	319.332	3.040	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@H]2CC3(CC3)C(=O)O2)cc1	763651604	KOKGEZBYRMEHRG-QGZVFWFLSA-N	316.445	3.060	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(F)n1	764020988	WNPUINUPTKYLKP-UHFFFAOYSA-N	313.376	3.141	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1	765765017	BWDSYVXHLVHPFM-GOEBONIOSA-N	305.441	3.171	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@H](C)S1	769140203	DNVCAWIFGXNUTC-IUCAKERBSA-N	316.810	3.280	10	20	DGCD	
C[C@@H](NC(=O)c1c(O)cccc1F)c1ccc(N(C)C)cc1	772997666	VFZOZLVOYMWGSL-LLVKDONJSA-N	302.349	3.088	10	20	DGCD	
C[C@@H](NC(=O)NOCc1ccccc1)c1ccc(N(C)C)cc1	773136885	BPZAZXVIKRAJAB-CQSZACIVSA-N	313.401	3.245	10	20	DGCD	
C[C@H](NC(=O)N1CCS[C@H](C)[C@@H]1C)c1ccc(N(C)C)cc1	773614957	VHKKQDSWSOYRPP-MELADBBJSA-N	321.490	3.349	10	20	DGCD	
CC[C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)C1	775023797	MDIXZIKHQBMSCJ-YPMHNXCESA-N	308.378	3.367	10	20	DGCD	
CC[C@H](NCCOC[C@@H]1CCCO1)c1cc(Cl)ccc1O	775507395	MCIYJUZOTLDZIB-ZFWWWQNUSA-N	313.825	3.282	10	20	DGCD	
COc1ccnc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1OC	789385704	DYYHUESWYXVMAD-ZDUSSCGKSA-N	315.417	3.016	10	20	DGCD	
C[C@H](NC(=O)N1CCSCC[C@H]1C)c1ccc(N(C)C)cc1	790503801	XRQPSWXAZSEPPJ-KGLIPLIRSA-N	321.490	3.351	10	20	DGCD	
CN(C)c1ccc(CNCCc2cccnc2)c(C(F)(F)F)c1	792903281	HAWCOLHNKVBPLM-UHFFFAOYSA-N	323.362	3.499	10	20	DGCD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O1	807839304	KQNQEJLHQSYSIY-RBDZCENOSA-N	318.200	3.129	10	20	DGCD	
CC[C@H](CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)OC	812367939	MXDWZQDGKKNFIM-MRXNPFEDSA-N	318.392	3.388	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@H](C)COC)cc1	812477474	PJCUNCLJGJCKCP-HUUCEWRRSA-N	306.450	3.068	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](C2CCCC2)C1	817636842	TZYPLKDCBOFVJW-DDJMYBDESA-N	301.386	3.150	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2C[C@H]2C2CCC2)c1	823769945	KJCRWKNKLJATFG-FFSVYQOJSA-N	318.417	3.197	10	20	DGCD	
CCOCc1cc(CNCc2coc(CC)n2)ccc1OC	825050754	RBFBOJYVUQLDHY-UHFFFAOYSA-N	304.390	3.072	10	20	DGCD	
COc1cc(O)c(CNC[C@H](OC)C2CCCCC2)cc1OC	827673874	HXXNELYPBUIOQB-SFHVURJKSA-N	323.433	3.094	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1cc(Cl)ccc1O	827750342	DZVACLNHLBGYIV-GOEBONIOSA-N	311.809	3.257	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)c1ccccc1O	827946779	RLPZBEAXXSCIAQ-MLGOLLRUSA-N	309.365	3.330	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C2(C)CCCCCC2)cc1	832286176	WVGQQWHEZHCKSO-KRWDZBQOSA-N	317.477	3.229	10	20	DGCD	
COC1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCC1	836405927	ONPBUOPBJUWHMX-AWEZNQCLSA-N	319.449	3.072	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C2CCC2)C2CC2)c1	836687675	WLGNASRKAMTLHZ-DIFFPNOSSA-N	318.417	3.340	10	20	DGCD	
Oc1ccc2oc3c(c2c1CN1[C@H]2CC[C@H]1COC2)CCCC3	840165464	VTOMGBHBNIAQTK-STQMWFEESA-N	313.397	3.380	10	20	DGCD	
COc1ccc(CNCCc2ccc(N)cc2)c(OC(F)F)c1	841035796	OKLBMWCPACPHNF-UHFFFAOYSA-N	322.355	3.211	10	20	DGCD	
CC[C@@H]1COC(C)(C)CN1Cc1c(O)ccc2ccncc12	844723320	SRRPAKCIIBFWKR-CQSZACIVSA-N	300.402	3.330	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](F)C2)cc1	844899506	WTQRNPZRCYVWKO-HNNXBMFYSA-N	307.413	3.176	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](c2ccsc2)N(C)C)c1O	846138224	ZLRBYJOXGCXMBS-WFASDCNBSA-N	320.458	3.416	10	20	DGCD	
C[C@@H](NC/C=C\CO)c1cc(Br)cc(Cl)c1O	850508691	NDDBJKPLYNZLIF-YAJNLLPGSA-N	320.614	3.007	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC([C@H]3CCCCO3)CC2)cc1	850750777	OQESRWNMSKLGGO-MRXNPFEDSA-N	303.406	3.082	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)C(F)(F)[C@H](C)C2)c1O	859411806	NHERVUJFKZDDMG-AOOOYVTPSA-N	315.335	3.457	10	20	DGCD	
COc1cc(OC)c2c(c1)N(C(=O)c1cc(O)cs1)CCC2	862775603	KZSUFMMZXSZJAR-UHFFFAOYSA-N	319.382	3.064	10	20	DGCD	
C[C@@H](N[C@H]1C[C@@H](CO)C1)c1ccc(N2CCCCCC2)cc1	866414290	CJQWZLNEODACKC-NUJGCVRESA-N	302.462	3.489	10	20	DGCD	
Cc1ccc(CNC[C@]2(C)OCCc3sccc32)c(O)c1	877539459	NMMKTCWDQPEJAS-KRWDZBQOSA-N	303.427	3.340	10	20	DGCD	
CN(C)Cc1ccc(CN(C)Cc2cc(F)cc(F)c2O)cc1	894766322	PWBJHYGQBAHHNT-UHFFFAOYSA-N	320.383	3.364	10	20	DGCD	
Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)n1	906454340	OICZVZFSOQWLLW-UHFFFAOYSA-N	315.392	3.142	10	20	DGCD	
C[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1	916590774	NVMFZHRILGMIHG-LBPRGKRZSA-N	314.337	3.018	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc3c(c2)cc(C)c(=O)n3C)c1	1117723365	WKZBJLXFHGXGMQ-UHFFFAOYSA-N	308.381	3.473	10	20	DGCD	
COc1cc(O)c(CN(C)[C@@H]2CC[C@@H](SC)C2)cc1OC	1319798292	GYOZZKCQPPTATP-CHWSQXEVSA-N	311.447	3.125	10	20	DGCD	
CCN(Cc1ccccc1F)C(=O)/C=C/c1ccc(O)c(O)c1	1320754261	PRZBMJHHESWQFB-CSKARUKUSA-N	315.344	3.299	10	20	DGCD	
CC(C)CN(Cc1ccccn1)C(=O)NCc1ccc(N)cc1	1353532192	VNHXNMZRAHPVJE-UHFFFAOYSA-N	312.417	3.032	10	20	DGCD	
C[C@H](NCC[C@H]1CCC2(CCC2)O1)c1cc(C(=O)O)ccc1O	1593265844	YIVYMZUOOYFPOY-GXTWGEPZSA-N	319.401	3.233	10	20	DGCD	
C[C@H](Sc1ncc(C(=O)O)s1)C(=O)c1ccc(F)cc1	1593678528	QKFPJHVEQRPCLO-ZETCQYMHSA-N	311.359	3.344	10	20	DGCD	
O=C(O)CC[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1601976816	YFWVQUWBHUFLDR-MRXNPFEDSA-N	316.445	3.364	10	20	DGCD	
C[C@@H]1CC2(CCC2)CN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1604685401	MYTQWXXUEXNMEO-TXNVCOODSA-N	316.357	3.462	10	20	DGCD	
Cc1cc(CN[C@@]2(C)CCCC[C@H]2C(=O)O)ccc1N(C)C	1610460791	FQDIAFJPBJYHKT-YJBOKZPZSA-N	304.434	3.184	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCN(CC)C(C)C	66702956	BFMFTIWOLVZOEN-UHFFFAOYSA-N	321.465	3.044	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@H](O)c1ccccc1F	75829150	SWNGDNBYOJXVDO-SFHVURJKSA-N	303.377	3.477	10	20	DGCD	
COCCOCCN(Cc1cccs1)c1ccc(OC)cc1	79411206	CBUUMBSSXRXGCO-UHFFFAOYSA-N	321.442	3.426	10	20	DGCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cccc(Cl)c1	85204587	OCKHJHQVXBQBER-UHFFFAOYSA-N	318.181	3.500	10	20	DGCD	
CCOCCO[C@H]1CCN(Cc2ccc(N(CC)CC)cc2)C1	92067586	PIWCZGWRSOFNTQ-IBGZPJMESA-N	320.477	3.160	10	20	DGCD	
CCOc1cccc(CN(C)[C@@H](CCO)c2ccccc2)c1O	93442518	HCWSARMTORMMDV-KRWDZBQOSA-N	315.413	3.346	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)CCCC(C)C)c1	114582036	XABANVUTGRJREM-ZDUSSCGKSA-N	308.422	3.415	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@@H](C)[C@@H]1C	118581815	QUOVEJMMOPHHDO-KBPBESRZSA-N	321.490	3.096	10	20	DGCD	
Cc1cc(F)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1	136983176	ITJUIYBLKLNLRF-UHFFFAOYSA-N	300.377	3.472	10	20	DGCD	
Nc1ccc(CC(=O)NCC2(c3ccc(F)cc3)CCC2)cc1	154140401	JWNJGCPIWJUVNK-UHFFFAOYSA-N	312.388	3.189	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cnc(C2CC2)s1	154909006	APFBENJIEQLCAI-UHFFFAOYSA-N	315.442	3.486	10	20	DGCD	
CC[C@@H]1CCC[C@H](NC(=O)NCc2cc(OC)ccc2O)C1	155126227	HUANMHULUQJYAR-OCCSQVGLSA-N	306.406	3.169	10	20	DGCD	
CCn1cnnc1CN[C@@H](C)c1ccc(N2CCCCC2)cc1	158471167	IVGDNVGNDUUTAE-HNNXBMFYSA-N	313.449	3.139	10	20	DGCD	
CC[C@H](NC1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1	161771376	CCAGNMLCGXPNHB-SFHVURJKSA-N	318.461	3.479	10	20	DGCD	
CN(Cc1cncc(Br)c1)Cc1ccccc1O	171937744	OKYPRGUGUVTONU-UHFFFAOYSA-N	307.191	3.182	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCN(C)[C@H](C)C2)cc1F	174515380	DWQDAIPIKVNASQ-ZBFHGGJFSA-N	307.457	3.244	10	20	DGCD	
COc1cc(O)c(CN(C)[C@H](C)c2cccc(O)c2)cc1OC	180178874	PUGQCSGMZPFMGI-GFCCVEGCSA-N	317.385	3.308	10	20	DGCD	
Cc1cncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1	181827777	XHUUFXCZXHKAEO-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
COc1cccc2c1OC[C@H](N[C@H](C)c1cc(F)ccc1O)C2	185334922	LRPKKCKUJSHTPG-BXUZGUMPSA-N	317.360	3.194	10	20	DGCD	
CC(C)Oc1ccc(N(C)C[C@H](O)COCc2ccco2)cc1	191591795	BQIIFQQIWWBRQE-INIZCTEOSA-N	319.401	3.081	10	20	DGCD	
C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1c1ccccc1	237612264	DAAXGGGORCDQOE-HNAYVOBHSA-N	308.425	3.464	10	20	DGCD	
Nc1ccc(CC(=O)N(Cc2ccccc2)CC(F)F)cc1	238109594	LXOGSKHTSRRIKY-UHFFFAOYSA-N	304.340	3.105	10	20	DGCD	
COCCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	247862002	WGLAYHPPXVQERS-OAHLLOKOSA-N	318.442	3.468	10	20	DGCD	
CCC[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	248271598	QGEBKGVEJRGEGO-GDBMZVCRSA-N	305.418	3.336	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c(O)c1	271210117	UEOLBHNXZRYZMN-LPHOPBHVSA-N	319.445	3.308	10	20	DGCD	
C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1O	273432600	WCXGFSSMJLHHQC-SVGQVSJJSA-N	318.122	3.273	10	20	DGCD	
COc1cccc([C@H](O)CN[C@H](C)c2ccc(C)c(C)c2O)c1	273617229	XRINLYZMHAMTPS-RDTXWAMCSA-N	315.413	3.402	10	20	DGCD	
C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc2ccccc2c1O	282315475	NHNANVXMGUJPJN-XUSGNXJCSA-N	303.427	3.107	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NOC/C=C/Cl)C2CC2)cc1	291035413	HLKISBUXTYNYFV-XCVCLJGOSA-N	323.824	3.111	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H](c1ccco1)N1CCCC1)CC2	296199993	YWDVIJUBWJBULJ-HZPDHXFCSA-N	312.413	3.399	10	20	DGCD	
CCc1ccc(NC(=S)NCc2cccc(N(C)C)n2)cc1	754692173	NCHMOULWBPWSCH-UHFFFAOYSA-N	314.458	3.197	10	20	DGCD	
CC(C)n1cc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cn1	756575913	RFCAOSBVUTYNAW-NEPJUHHUSA-N	318.377	3.490	10	20	DGCD	
COC(C)(C)CN[C@H](C)c1cc(Br)cc(F)c1O	756648138	YWMWCFKUHDICNS-MRVPVSSYSA-N	320.202	3.369	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1	756661226	ZHISBLNFKOWEHD-HOCLYGCPSA-N	316.445	3.142	10	20	DGCD	
C[C@H](NC[C@@H](O)CCc1ccccc1)c1cc(F)cc(F)c1O	757666398	SOWPLMMIBLGXDD-WFASDCNBSA-N	321.367	3.315	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCCn2ccnc2)cc1	765257083	HZBILNKMZOLRJJ-INIZCTEOSA-N	300.450	3.470	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)Cc2cc(OC)c(C)cc2O)C12CCC2	768461923	HQVFRXNYLMAXRV-MSOLQXFVSA-N	319.445	3.489	10	20	DGCD	
C[C@H](NC(=O)NC[C@@]1(C)CCCS1)c1ccc(N(C)C)cc1	773388004	BMOLORYSAZQODN-SUMWQHHRSA-N	321.490	3.399	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H](N3CCCC3)C2)cc1	773731301	TVMOXSPDFFTSEE-IBGZPJMESA-N	301.478	3.203	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccc3cnccc3c2)SC1=S	779220847	JHBGOLPTXLFCGA-JYRVWZFOSA-N	300.408	3.456	10	20	DGCD	
Cc1ccc(C(F)(F)C(=O)NCc2ccc(N(C)C)cc2)cc1	779747051	PAIAGITUAFDJEJ-UHFFFAOYSA-N	318.367	3.469	10	20	DGCD	
CCOC1(C(=O)NCc2ccc3c(c2)CCCN3C)CCCC1	790374650	AWPUUCXJSYZCQB-UHFFFAOYSA-N	316.445	3.035	10	20	DGCD	
COC(=O)[C@@H](C)N(Cc1c(O)ccc(Cl)c1F)C1CCC1	792188320	VPXSZLYINSJXNJ-SECBINFHSA-N	315.772	3.101	10	20	DGCD	
CC1(CCNC(=O)NCc2c(O)ccc3c2CCCC3)CC1	792197342	UOYOHHPIQVHHJW-UHFFFAOYSA-N	302.418	3.260	10	20	DGCD	
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(O)c1O	794279794	KIIJSFBJMXFVPZ-TZMCWYRMSA-N	315.344	3.303	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(F)c(SC)c2)c(O)c1	794374758	YLGMUNWCVJPWBI-UHFFFAOYSA-N	321.373	3.192	10	20	DGCD	
O=C(Nc1ncc(-c2ccccn2)s1)c1cc(O)cs1	807669740	QNTOHNBEJLUTHR-UHFFFAOYSA-N	303.368	3.225	10	20	DGCD	
CNC(=O)Oc1cccc(NCc2ccc(N(C)C)c(F)c2)c1	813791308	FTTFHGALJDCTTN-UHFFFAOYSA-N	317.364	3.222	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](OC)C1	815797296	KJJFUFHNCHCZQW-ZBFHGGJFSA-N	305.418	3.336	10	20	DGCD	
CCc1cccnc1[C@@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817942494	OYBROFNUUJBTON-RDTXWAMCSA-N	312.461	3.061	10	20	DGCD	
CC(C)[C@@H](Cn1cccn1)NCCCSc1nccs1	834594958	UGWOJKMDTARVOB-CYBMUJFWSA-N	310.492	3.136	10	20	DGCD	
Cc1cnc(CCN[C@H](C)c2cc(Cl)cc(C)c2O)cn1	834910700	YDOIJTMHFJPLIN-GFCCVEGCSA-N	305.809	3.346	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)C[C@@H](O)c1ccco1	840937664	VSTACABXLUCFPK-WMLDXEAASA-N	302.418	3.256	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1C[C@@H](O)C[C@@H]1c1ccccc1	840958376	QEHOVOQHHRAPAK-SWLSCSKDSA-N	321.779	3.493	10	20	DGCD	
Nc1ccc(CCNCc2ccc(OC(F)(F)F)cc2)cc1	841037134	SQEINRPKVKOUOC-UHFFFAOYSA-N	310.319	3.500	10	20	DGCD	
CCOc1ccc(CNCc2cccc3c2CCCN3)c(O)c1	841083449	PNXSUPXYEHXBNC-UHFFFAOYSA-N	312.413	3.439	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1c(F)cccc1[N+](=O)[O-]	843350646	RXAYVJSARGPLAT-UHFFFAOYSA-N	315.348	3.145	10	20	DGCD	
CO[C@@H]1CCCC[C@H]1NCc1cc(Cl)cc(C(C)=O)c1O	844404776	HCKBTFHJOOGHJR-HUUCEWRRSA-N	311.809	3.295	10	20	DGCD	
CC[C@H]1CN(Cc2c(O)ccc3ccncc23)[C@@H](CC)CO1	844724980	GFUOBCNYTUXLTL-GJZGRUSLSA-N	300.402	3.330	10	20	DGCD	
CO[C@H]1C[C@H](N[C@H](C)c2cc(Br)c(F)cc2O)C1	858584104	MFVVBBJIJWFBHV-IWSPIJDZSA-N	318.186	3.122	10	20	DGCD	
CCCOc1ccc(CNCc2cccnc2OC)cc1C	873012827	NZJGODSFVXNMGX-UHFFFAOYSA-N	300.402	3.477	10	20	DGCD	
C[C@@H](NC[C@H]1C[C@H](N)C1)c1ccc(N2CCCCC2)c(F)c1	873258786	UTXUJTDITMFRRX-IIAWOOMASA-N	305.441	3.204	10	20	DGCD	
CCCN(Cc1cnc(CCOC)s1)Cc1ccccc1O	876654592	KARITCYOPTUQRA-UHFFFAOYSA-N	320.458	3.450	10	20	DGCD	
COc1cc(O)c(CN[C@@H](c2ccccn2)C2CC2)cc1OC	896613444	XAXFNWITCPNIDO-GOSISDBHSA-N	314.385	3.045	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](C)c2ccc(F)cc2F)c(O)c1	1116872259	ZNZIPHYOTXRWKM-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
CCC[C@@H](CC)C(=O)NCCCNCc1ccc(OC)c(C)c1	1169435177	RRGIJXVGWSAAMV-QGZVFWFLSA-N	320.477	3.426	10	20	DGCD	
CCOc1ccc(N2CCN(CCCOC(C)C)CC2)cc1	1319848402	WMHRYWYKZGNMAL-UHFFFAOYSA-N	306.450	3.022	10	20	DGCD	
CN[C@H](C)CCN[C@@H](C)c1cc(Br)cc(C)c1O	1326035742	MEMAXTPTTKJAEH-MNOVXSKESA-N	315.255	3.112	10	20	DGCD	
CC1(C)CN(C(=O)NCCc2ccc(N)cc2)[C@@H]2CCC[C@@H]21	1336125561	UMVQJKKDARXJOP-JKSUJKDBSA-N	301.434	3.031	10	20	DGCD	
COCc1cc(NCc2cc(F)cc(F)c2O)cc(C(=O)O)c1	1599290004	WMGDFZRFIBLAGC-UHFFFAOYSA-N	323.295	3.127	10	20	DGCD	
CCN(Cc1c(O)c(C(=O)O)cc2ccccc12)C[C@@H](C)OC	1605454447	PSEPRPSLKMEVHL-GFCCVEGCSA-N	317.385	3.100	10	20	DGCD	
CCn1ncc(C)c1NC(=O)c1ccc(C2=S=CC=C2)s1	1616970120	DZNNZEXJYRYAJU-UHFFFAOYSA-N	317.439	3.151	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)c(C)c1	1776856611	OGYAJUZFVIVKJH-CIRFHOKZSA-N	316.445	3.040	10	20	DGCD	
CC[C@@H]1CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CCO1	30852169	BINRYUNFIRNANS-GOSISDBHSA-N	312.413	3.345	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccn2c1	74190152	DADUAGNEOKNRCI-UHFFFAOYSA-N	307.397	3.278	10	20	DGCD	
COc1cccc(CNc2cccc(NC(=O)C3CC3)c2)c1O	74334325	IFCCDVSUMMKMCZ-UHFFFAOYSA-N	312.369	3.361	10	20	DGCD	
CSCC[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	77802819	AEWZFKYJPAJPPL-CYBMUJFWSA-N	309.479	3.036	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](CCC(N)=O)C2)cc1	92660670	RERXDPLOZYSJAS-INIZCTEOSA-N	317.477	3.010	10	20	DGCD	
COCc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1	115281898	BHMPAAIWYWIWJT-UHFFFAOYSA-N	312.413	3.137	10	20	DGCD	
CC(C)CONC(=O)NCc1ccc(N2CCC(C)CC2)cc1	119571663	BTKLRAUYLLNCII-UHFFFAOYSA-N	319.449	3.310	10	20	DGCD	
C[C@@H](NCc1cccc(Br)c1O)C1CCOCC1	134478122	XUUAHLHNQVNITD-SNVBAGLBSA-N	314.223	3.059	10	20	DGCD	
C[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1O	154037320	UHEWHIVUINEKDD-HNNXBMFYSA-N	307.397	3.488	10	20	DGCD	
CC(C)(C)NC(=O)N(Cc1ccco1)Cc1ccccc1O	157171263	PMNXNAWZMDOVBO-UHFFFAOYSA-N	302.374	3.496	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(C)C)nc2)c1	157605966	AMTWRYXRMQJTMF-GFCCVEGCSA-N	314.385	3.410	10	20	DGCD	
Oc1c(Cl)cccc1CNc1ccc(-n2nccn2)cc1	158061334	PUUBIHQGYUPYBG-UHFFFAOYSA-N	300.749	3.238	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(O)c(O)c1	158896683	UDUKLBDNOAUPJU-XBXARRHUSA-N	303.745	3.081	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2ccccc2C)cc1OC	159482703	CDLJUHUSMBKUMJ-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
Cc1cccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)c1	173203970	FMYAOYLKGNMZFZ-UHFFFAOYSA-N	324.424	3.419	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)ccc1O	176985526	UKYKRGHVAJBDEW-MNOVXSKESA-N	320.330	3.066	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)cc1F	181919320	ZHKCFUWSQJUKEM-UHFFFAOYSA-N	316.376	3.260	10	20	DGCD	
C[C@H](NCCn1ccnc1)c1ccc(Cl)c(Cl)c1O	184868872	SSMQDKUGRFAPSW-VIFPVBQESA-N	300.189	3.246	10	20	DGCD	
C[C@H]1CCCCN(C(=O)NCCCSc2nccs2)C1	185648775	QKEPRYQXDNZYIV-LBPRGKRZSA-N	313.492	3.457	10	20	DGCD	
COc1cccc(CN[C@H]2CCOc3c(F)cccc32)c1O	191121818	QHOLTQAWAMAEQM-AWEZNQCLSA-N	303.333	3.153	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H](O)c1cccc(F)c1	267145611	AXCYPGGOHCDNSV-FZKQIMNGSA-N	302.393	3.103	10	20	DGCD	
CCOCc1cc(CN[C@]2(C)CCO[C@@H]2C2CC2)ccc1OC	273167535	VFRKSPMSIJHTHJ-RTBURBONSA-N	319.445	3.279	10	20	DGCD	
COc1cc(Cl)cc(CN2CCOC3(CCCC3)C2)c1O	273786609	UOMFGWLRSHUHJW-UHFFFAOYSA-N	311.809	3.199	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](N(C)C)CC2)c1O	277315836	UWOHZAQQGNGKRN-HNNXBMFYSA-N	324.852	3.164	10	20	DGCD	
Cc1ccc2c(c1)CC[C@H](C(=O)N(C)Cc1ccccc1O)O2	280003695	SGOCOWBAJXWROD-GOSISDBHSA-N	311.381	3.053	10	20	DGCD	
CC(C)n1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nn1	289084010	KPNOGWBSQORCDJ-UHFFFAOYSA-N	313.449	3.090	10	20	DGCD	
Cc1cccc(CN(C)CCc2nc(-c3ccccc3)no2)c1O	289266564	FZOLNAFKNMFBKN-UHFFFAOYSA-N	323.396	3.425	10	20	DGCD	
Cc1c(CNC(=O)C[C@@H]2CCCCO2)n(C)c2ccccc12	348633974	HCEPAWIENKNGEB-AWEZNQCLSA-N	300.402	3.062	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1Cc2cccc(Cl)c2C1	366218916	RMFJCDZAVHAXQO-FNORWQNLSA-N	315.756	3.307	10	20	DGCD	
COc1cccc(CN[C@H]2COc3c(Cl)cccc32)c1O	378088620	HTSGAVQHYUPTSV-ZDUSSCGKSA-N	305.761	3.278	10	20	DGCD	
COCCOCCCCN[C@H]1C[C@H](C)c2c(C)ccc(O)c21	387568053	IZMNAKUUUFKBRN-GJZGRUSLSA-N	307.434	3.282	10	20	DGCD	
Cc1cccc([C@H](C)CNC(=O)/C=C\c2ccc(O)c(O)c2)c1	588407323	WNGGNDWYJLGINM-IUCKJTJTSA-N	311.381	3.339	10	20	DGCD	
CC(C)O[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	701730233	VDKVQYOYXMMPTD-CYBMUJFWSA-N	314.223	3.154	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)NCCC(C)C)CC2)cc1	726700664	HRWZCMYIBPCORP-UHFFFAOYSA-N	319.449	3.009	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C1CCCCC1	729269333	ZJRVGLHIAFWFPS-UHFFFAOYSA-N	324.490	3.237	10	20	DGCD	
CCCCS[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	729277627	FTQUKJLYDYTAIO-RYUDHWBXSA-N	311.447	3.500	10	20	DGCD	
C[C@H]1CCC[C@H](OCC(=O)NCc2ccc(N(C)C)c(F)c2)C1	732936196	SJZBVADWGKKVQU-ZFWWWQNUSA-N	322.424	3.103	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2[C@H](C)CCC[C@H]2C)cc1	740423841	UETVIPFQBJDFLA-HUUCEWRRSA-N	304.434	3.311	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc2cc(F)ccc2o1	741843681	MQMKDYGIPOVUHW-XNTDXEJSSA-N	322.295	3.033	10	20	DGCD	
Cc1ccc(C(=O)NCCc2cccc(Cl)c2)c(O)c1O	751531081	ZKARZOJDQNMERQ-UHFFFAOYSA-N	305.761	3.032	10	20	DGCD	
CCC(CC)[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	761386580	ZMVALRXICSZMRI-OAHLLOKOSA-N	318.461	3.212	10	20	DGCD	
C[C@@H](CCC1CC1)NC(=O)NCc1ccc(N2CC=CC2)cc1	768940557	KLWXGZJEMTWWBS-HNNXBMFYSA-N	313.445	3.441	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@H]1COc2ccccc2C1	770430149	QNMDDKWQUYCVRM-LBPRGKRZSA-N	303.789	3.387	10	20	DGCD	
Cc1noc2ncc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc12	773021006	QGDQDLMKKSOKRL-LLVKDONJSA-N	324.384	3.088	10	20	DGCD	
C[C@@H](NC(=O)NCCOC1CCCC1)c1ccc(N(C)C)cc1	773276591	LQNHBTOBDCRQCR-CQSZACIVSA-N	319.449	3.072	10	20	DGCD	
CCCC(=O)NC1CCN(Cc2ccc(N(C)CC)cc2)CC1	773729272	HVNZYMJPGODQPR-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
CCOC(=O)CN(Cc1cc(Cl)cc(F)c1O)CC(C)C	775656824	NQSZDQGPHOIDLV-UHFFFAOYSA-N	317.788	3.206	10	20	DGCD	
Cc1ccc(C(F)(F)C(=O)N(C)Cc2ccccc2O)cc1	780380220	RASMCKXWPQYAOG-UHFFFAOYSA-N	305.324	3.451	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCCCC1CCOCC1	798636969	BSYPLXJZZNPPAX-ALCCZGGFSA-N	320.385	3.251	10	20	DGCD	
CCSCCCNC(=O)NCc1ccc(N(C)C)cc1C	800000669	HLUWPBNAMPTDOL-UHFFFAOYSA-N	309.479	3.003	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ncnn2C(C)(C)C)c2c(O)ccc(F)c21	800500073	PPHKPLPTQWVXOE-ZYHUDNBSSA-N	318.396	3.216	10	20	DGCD	
CSc1cccc(F)c1CNC(=O)NCc1ccccc1O	805759709	ZUHXWYIPKMIIOI-UHFFFAOYSA-N	320.389	3.253	10	20	DGCD	
CC[C@H](NCc1cccn(CC)c1=O)c1cccc(Cl)c1O	806163421	QLOPDEOEBZYEGA-HNNXBMFYSA-N	320.820	3.468	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H]1COc2ccccc21	809790366	CIJGOPGYWBGNTK-LLVKDONJSA-N	307.752	3.451	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1	815566736	DBMPKOBPLIOJMK-CVEARBPZSA-N	324.424	3.465	10	20	DGCD	
COCc1nc(CNCc2ccc3ccccc3c2O)cs1	816615409	VTRPVDSONHTRLG-UHFFFAOYSA-N	314.410	3.438	10	20	DGCD	
CC[C@H](NC[C@@H](N)C1CC1)c1ccc(C(F)(F)F)cc1O	817965379	PVDCGRABTMDXCS-OLZOCXBDSA-N	302.340	3.189	10	20	DGCD	
CC[C@H](C)[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819586333	NNUNKWPLLSIKLY-XHSDSOJGSA-N	318.461	3.320	10	20	DGCD	
CCOc1ccc(CNC[C@@H](Cc2ccccc2)OC)c(O)c1	824589164	BRGDPIQNMNRZQV-GOSISDBHSA-N	315.413	3.138	10	20	DGCD	
COc1ccc2c(c1)CCCCN2C(=O)/C=C(\C)c1cnccn1	828118150	ZIYKTXXFAITREK-SDNWHVSQSA-N	323.396	3.258	10	20	DGCD	
Cc1cccn2cc(CCN[C@@H]3CCc4cccc(O)c43)nc12	834612491	UJHZBYXJKOAZQB-MRXNPFEDSA-N	307.397	3.168	10	20	DGCD	
Cc1ccc(C(=O)NC2(Cc3ccc(F)cc3)CC2)c(O)c1O	836954761	LAGOSZOVHZHVPT-UHFFFAOYSA-N	315.344	3.050	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](Oc2ccncc2)C1	840941133	SSKUGTSSOSHXCU-LJQANCHMSA-N	311.429	3.109	10	20	DGCD	
C[C@H](c1ccccc1)N1CC[C@H](NCCc2ccc(N)cc2)C1	841035409	NJLRZCJROLLYIZ-UZLBHIALSA-N	309.457	3.236	10	20	DGCD	
C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(Cl)cc1O	841761809	GWEFPGBJMPDOST-DGIBIBHMSA-N	303.855	3.243	10	20	DGCD	
CC(C)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1	846477291	RRLSMBWQFWPFSL-UHFFFAOYSA-N	304.777	3.494	10	20	DGCD	
C[C@H](N[C@H]1COc2cc(F)ccc2C1)c1ccc(F)cc1O	850537478	QSWGTAZXLZJTME-IINYFYTJSA-N	305.324	3.325	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CC[C@@H]3C3CCC3)cc2)CC1	850568471	YGSULQQUESMBKE-WOJBJXKFSA-N	314.473	3.316	10	20	DGCD	
C[C@@H](NCC1(N)CCCC1)c1cccc(C(F)(F)F)c1O	854222665	JRMGZJQRBDPZRN-SNVBAGLBSA-N	302.340	3.333	10	20	DGCD	
CCOc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1	857547895	ZEYPSHQVJYHVBU-UHFFFAOYSA-N	305.761	3.374	10	20	DGCD	
CCN(CC)c1ccc(CNc2cnn(CCF)c2)cc1F	858246333	CYUSVYXRVWMQRD-UHFFFAOYSA-N	308.376	3.450	10	20	DGCD	
CCC[C@@H](CN[C@@H](C)c1cc(C(=O)OC)ccc1O)OCC	858450691	HOISJGDTOXDDGY-JSGCOSHPSA-N	309.406	3.035	10	20	DGCD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cc(C)ccc1O	862758212	SREVYZHUNJLFKX-GOSISDBHSA-N	313.397	3.483	10	20	DGCD	
COc1ccc(CNC(C2CC2)C2CC2)cc1Cn1cccn1	873024687	YWEUAAUCDJPMQQ-UHFFFAOYSA-N	311.429	3.218	10	20	DGCD	
Cc1cccc(O)c1CN1CCN([C@H](C)c2nccs2)CC1	877380381	IPNPTWBYAFTCRU-CQSZACIVSA-N	317.458	3.036	10	20	DGCD	
OC1CCN(c2ccc(CNc3cccc4c3OCC4)cc2)CC1	877650391	AXJSZCXPOOCBPT-UHFFFAOYSA-N	324.424	3.195	10	20	DGCD	
C[C@@H](NC[C@H]1COc2ccccc2C1)c1c(O)cccc1F	886513088	SZKVYMZGBJYEDG-OLZOCXBDSA-N	301.361	3.433	10	20	DGCD	
CCc1onc(C)c1CN(C)c1ccc(OCCN(C)C)cc1	893572721	SSHPQFIAFSCBNR-UHFFFAOYSA-N	317.433	3.122	10	20	DGCD	
COc1cc(C)cc(CNc2cc3c(cc2C)OCO3)c1O	894434140	OREIXNMQSMAQEF-UHFFFAOYSA-N	301.342	3.358	10	20	DGCD	
COc1ccc(CN2CCC[C@@]3(CCSC3)C2)c(O)c1OC	894772689	MLSWHJRMNVRPEX-QGZVFWFLSA-N	323.458	3.129	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cn(C3CC3)nn2)cc1	906253656	ULTVRHBXYZTBFX-UHFFFAOYSA-N	313.449	3.091	10	20	DGCD	
COCCN(C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	918672276	MMDBZUMIFONRMN-UHFFFAOYSA-N	320.820	3.466	10	20	DGCD	
CC(=O)Nc1cccc(NC(=S)NNc2cccc(F)c2)c1	920079374	FBSOKDQKQBSRMD-UHFFFAOYSA-N	318.377	3.098	10	20	DGCD	
CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc3c(c2)CCCO3)C1	921815217	IXNLSGWHWMRWIQ-HOIFWPIMSA-N	321.486	3.181	10	20	DGCD	
CN(C[C@H](O)Cc1ccccc1C(F)(F)F)c1ccc(N)cc1	923401863	YPNCDKITALUVPN-OAHLLOKOSA-N	324.346	3.327	10	20	DGCD	
COc1ccc(CNC[C@H]2CCCCN2C(=O)C(C)C)cc1C	1024872990	CKHLNAXWEKZQIM-QGZVFWFLSA-N	318.461	3.130	10	20	DGCD	
O=C(NCCCSc1nccs1)N[C@H]1CCC[C@H](F)C1	1329253957	QDKIZMKPASCYHK-QWRGUYRKSA-N	317.455	3.205	10	20	DGCD	
Cc1nc(CC(=O)Nc2c(Cl)ccc3nonc23)c(C)s1	1342949888	DIMYBHYCVGKWQJ-UHFFFAOYSA-N	322.777	3.131	10	20	DGCD	
Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(N)cc2)c1	1343474322	VJZCYQQMBOEKCY-UHFFFAOYSA-N	309.413	3.107	10	20	DGCD	
C[C@H](NC[C@@H]1CC12CCSCC2)c1cc(C(=O)O)ccc1O	1593252041	MNLSEOIZVSQRDQ-AAEUAGOBSA-N	321.442	3.274	10	20	DGCD	
O=C(O)c1ccc(CNCc2ccc(C(F)F)cc2)c(O)c1	1777675988	FWWGKGIMHWXOHD-UHFFFAOYSA-N	307.296	3.318	10	20	DGCD	
C[C@@H](Nc1cncc(Cl)n1)c1ccc(N2CCOCC2)cc1	68463414	LCRZZMVMYUSRKV-GFCCVEGCSA-N	318.808	3.140	10	20	DGCD	
O=C1CCCN1[C@@H]1CCCN(Cc2c(O)ccc3ccccc23)C1	111171234	IIAXNYBOEXDOKY-MRXNPFEDSA-N	324.424	3.132	10	20	DGCD	
CCN(C(=O)[C@@H](C)N(C)Cc1ccccc1O)c1ccccc1	111236473	LQJMEKKHOCLYFE-OAHLLOKOSA-N	312.413	3.266	10	20	DGCD	
COc1cc(F)cc(NC(=O)N(C)Cc2ccccc2O)c1	124778705	UQZCGVLLHFUXSY-UHFFFAOYSA-N	304.321	3.204	10	20	DGCD	
Cc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)n1	127194933	BCCIOUOJVDQUNJ-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)Cn2cccn2)cc1F	152059464	WQTWBAZQSHRHSL-AWEZNQCLSA-N	304.413	3.047	10	20	DGCD	
OCc1ccc(CN(Cc2ccco2)Cc2ccccc2O)o1	154726283	WNKRACHUCJTMIX-UHFFFAOYSA-N	313.353	3.273	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCOC2(CCCC2)C1	157164853	ZCFLMBVRCSXOSF-HNNXBMFYSA-N	318.417	3.025	10	20	DGCD	
COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)s1	177894385	WUTWWCXDGVZXOS-LUAWRHEFSA-N	308.428	3.213	10	20	DGCD	
CCOc1cccc(CN2CCCN(C3CCCC3)CC2)c1O	179770068	PSTKXXZCOLFMMV-UHFFFAOYSA-N	318.461	3.241	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2nc3ccccc3n2C)c1	182355930	NAKNMTSTHSCZPN-GFCCVEGCSA-N	311.385	3.138	10	20	DGCD	
CC[C@H]1CCCC[C@H]1OCC(=O)N(C)Cc1ccccc1O	184566279	GZRJKJKJPJPILI-WMLDXEAASA-N	305.418	3.336	10	20	DGCD	
COC(=O)[C@H](NCc1cc(C)ccc1O)c1ccc(F)c(C)c1	189605930	JUDYQXZUJYLOPE-QGZVFWFLSA-N	317.360	3.152	10	20	DGCD	
CC[C@@H](NC[C@H]1CCCN(C(C)=O)C1)c1ccc(N(C)C)cc1	280838541	AJGRLDYCHIVZMJ-VQIMIIECSA-N	317.477	3.052	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCOC1	283823007	ZSZRKUAOSOTTKJ-OAHLLOKOSA-N	320.433	3.131	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)c2ccccc21	285429354	XOXAEFDMCDBFSF-MRXNPFEDSA-N	309.365	3.111	10	20	DGCD	
CC[C@@H](NCC1CCN(C2CC2)CC1)c1ccc(F)cc1O	287355512	GYURUVMMVAZGFK-QGZVFWFLSA-N	306.425	3.446	10	20	DGCD	
COc1ccc(N(C)Cc2cnc([C@@H](C)O)s2)cc1Cl	290206717	DLPWPPDTKVNSNA-SECBINFHSA-N	312.822	3.495	10	20	DGCD	
CC1=CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CC1	293830432	DUNYTKKEDPZFPV-INIZCTEOSA-N	304.409	3.251	10	20	DGCD	
Cc1c(CNC(=O)COc2ccccc2)n(C)c2ccccc12	348707143	QLIIYGQZVFZTOE-UHFFFAOYSA-N	308.381	3.182	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CO[C@H]2CCC[C@H](C)C2)c1	733000017	LVTMTIHLZPFTNM-YDHLFZDLSA-N	321.417	3.173	10	20	DGCD	
C[C@H](NCCCC(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1O	756629304	PBYAUKYENGZZJD-NSHDSACASA-N	324.377	3.073	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CC(=O)N(C(C)(C)C)C2)c2c(O)ccc(F)c21	756736450	NWIMQEAFIMBAJS-WZRBSPASSA-N	320.408	3.069	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCOC3(CCOCC3)C2)c(O)c1	756765779	RBPUWQBWIMVGIV-CABCVRRESA-N	305.418	3.079	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1C	756984103	CRLSMFBXLKCURB-PBHICJAKSA-N	303.450	3.439	10	20	DGCD	
COc1cc(N2CC[C@@H](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC	758956772	YMMIJROEKMPOIT-LLVKDONJSA-N	308.378	3.484	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2NC(C)=O)cc1OC	761220670	IUUHOVVJUJHEQJ-UHFFFAOYSA-N	314.385	3.299	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)[C@H](C)C1	764083590	CZHFACQQPKKUMS-ZIAGYGMSSA-N	303.402	3.136	10	20	DGCD	
C[C@H](NC[C@@H](O)c1ccc(F)cc1F)c1ccc(N(C)C)cc1	764770788	OKLBNEWGKKQGAO-KPZWWZAWSA-N	320.383	3.415	10	20	DGCD	
CCOc1ccc(CN(C)[C@H]2CCN(CC)[C@H](C)C2)c(O)c1	769470749	OTNBYTGUMINLNU-ZBFHGGJFSA-N	306.450	3.096	10	20	DGCD	
CC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1	773413235	GLMYPWLZZDWQQZ-COXVUDFISA-N	319.449	3.070	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774484878	SXAWVHWDDSXCFS-SOUVJXGZSA-N	305.466	3.097	10	20	DGCD	
CCO[C@H](C)c1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1	775832772	BOZMGXXTDFMTIV-CHWSQXEVSA-N	318.421	3.084	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1N(C)C	776163451	BKMZXOQMMFEQAI-JQHSSLGASA-N	300.446	3.108	10	20	DGCD	
Cc1cc(CC(=O)OC[C@@H](C)O)c(C)n1-c1ccc(Cl)cc1	791626601	IPAIOOFAZXMRNZ-GFCCVEGCSA-N	321.804	3.214	10	20	DGCD	
CN(C)CCN(CCc1ccccc1)Cc1cc(F)ccc1O	809730769	DQJBWTUTQCEFSK-UHFFFAOYSA-N	316.420	3.138	10	20	DGCD	
CN(C)C1CCC(NCc2cc(Cl)c(F)cc2O)CC1	817414143	SZSSDOPDEFJAHO-UHFFFAOYSA-N	300.805	3.147	10	20	DGCD	
CC[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1	822226780	HPULQLCZXVZRGK-LBPRGKRZSA-N	302.340	3.347	10	20	DGCD	
CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cc(O)cs1	823273276	OZMWPENOOIWOCU-UHFFFAOYSA-N	318.398	3.234	10	20	DGCD	
CCOc1cccc(CN(C)[C@@H]2C[C@@H](OC)C23CCC3)c1O	825104257	SCXGJLZVQBKGLU-HZPDHXFCSA-N	305.418	3.180	10	20	DGCD	
O=C([C@H]1CC1(F)F)N(Cc1ccco1)Cc1ccccc1O	825904625	DBWAPRXEWXEFMX-CYBMUJFWSA-N	307.296	3.169	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H](C(C)(C)C(=O)O)C2)c1	833662665	JQQXWEIIDKEWRS-CQSZACIVSA-N	321.417	3.114	10	20	DGCD	
C[C@H](NC(=O)[C@H](C)C1CCC1)c1ccc(N2CCOCC2)cc1	837367901	LFGSPXLYKIYNQB-CABCVRRESA-N	316.445	3.137	10	20	DGCD	
COC[C@]1(C)CCN(Cc2c(O)ccc3ccc(OC)cc23)C1	840105955	HAKLUFXLEMRKKR-LJQANCHMSA-N	315.413	3.412	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1O	840398248	WRXHMEXIDNGIMC-UKRRQHHQSA-N	318.417	3.026	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](Cn1ccnc1)C(C)(C)C	840929924	QOZNPPSKSIQWKB-GOSISDBHSA-N	314.477	3.462	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC(CC(F)(F)F)CC2)cc1	841300597	WXGXJQJUJOKJAB-UHFFFAOYSA-N	301.312	3.465	10	20	DGCD	
Nc1ccc(CCNC(=O)NC[C@@H](c2ccccc2)C2CC2)cc1	841908514	WFJGGGDCSNBYSO-IBGZPJMESA-N	323.440	3.304	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@@H](N)C2)cc1	843044494	DQIFJWXOEHPRFB-LJQANCHMSA-N	309.457	3.246	10	20	DGCD	
Cc1cccc2nc(CN3CCCc4cc(CN)ccc43)cn12	844219610	MOMRPMSGIKFOOR-UHFFFAOYSA-N	306.413	3.054	10	20	DGCD	
C[C@@H](N[C@@H](CO)CCF)c1ccc(N2CCCCC2)c(F)c1	846209569	SINZHQYXOHHPES-UKRRQHHQSA-N	312.404	3.187	10	20	DGCD	
C[C@@H]1CCCN(C(=N)NCc2cc(Cl)cc(Cl)c2O)C1	849078400	ZGKQXEZJENLDAL-SECBINFHSA-N	316.232	3.455	10	20	DGCD	
OC1CCN(c2ccc(CNc3nccc4occc34)cc2)CC1	853955532	FTCHLKSXLFATSK-UHFFFAOYSA-N	323.396	3.401	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)c1O	859411807	NHERVUJFKZDDMG-NXEZZACHSA-N	315.335	3.457	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2CCCOC2)c(C)n1-c1ccccc1	863164785	AUXNGIIKUGJACR-INIZCTEOSA-N	312.413	3.137	10	20	DGCD	
CC[C@H](N[C@H](C)[C@H](O)C(F)(F)F)c1cc(Cl)ccc1O	866463918	QGKVOQONCOGANG-VHRDEZTHSA-N	311.731	3.398	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H](C)c1ccccc1O	868432841	GABDYALFNGPBRN-WDEREUQCSA-N	317.389	3.161	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H](O)Cc1cccc(Cl)c1)CC2	872129182	VWBJZZHCAPSVRS-JKSUJKDBSA-N	317.816	3.226	10	20	DGCD	
COc1ccc(CN(C)C)cc1NCc1c(C)cccc1O	876845313	QSVNTOSTFQZUMX-UHFFFAOYSA-N	300.402	3.383	10	20	DGCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CC1(C)C	877643127	ADRUNLPGENJQON-MRXNPFEDSA-N	302.462	3.126	10	20	DGCD	
CCOc1cc(CNCc2cc(F)cc(F)c2O)ccc1OC	883000250	TWYWLCWGYOGRGJ-UHFFFAOYSA-N	323.339	3.368	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	883049258	IKERWPSSUAAMEJ-INMHGKMJSA-N	301.336	3.346	10	20	DGCD	
C[C@]1(c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)COC(=O)N1	883329664	PHAKZUOGDPBBTG-DNVCBOLYSA-N	324.380	3.447	10	20	DGCD	
Cc1ccccc1C[C@H](CO)N[C@H](C)c1c(O)cccc1F	886597192	YSLBJUXLKUNKGM-UKRRQHHQSA-N	303.377	3.094	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2cc(F)ccc2OC)c1	886724192	ZJLLCKGTHZEJAZ-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
CC(C)c1noc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	888388273	VGZIUQTUKSRATM-LLVKDONJSA-N	317.393	3.142	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)nc1F	906713659	DEHVEYFFZVOBHJ-UHFFFAOYSA-N	321.783	3.179	10	20	DGCD	
CCCCCNC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1	917074124	PXEVADIGVPBDAL-UHFFFAOYSA-N	317.477	3.023	10	20	DGCD	
COc1ccc(CN[C@@H]2CCN(C(=O)c3ccccc3)C2)cc1C	966411999	CLDHFNDWJNRTFH-GOSISDBHSA-N	324.424	3.008	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCN3CC=CC3)c2C)c1	1116127829	PJHWMRODXBPQPK-UHFFFAOYSA-N	323.440	3.004	10	20	DGCD	
C[C@H](Nc1ccc(CCC(N)=O)cc1)c1ccc(F)cc1O	1116589423	WMBUTUINXSJBGK-NSHDSACASA-N	302.349	3.122	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCN(C)CC(F)(F)F	1321022755	ICOYIDNJZZXWDJ-NWDGAFQWSA-N	316.367	3.333	10	20	DGCD	
CN1CCCC[C@H](CNCc2ccc(N3CCCC3)cc2)C1	1328783369	LLNQUIRFHFEFSB-GOSISDBHSA-N	301.478	3.108	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(C)(C)CC(=O)O)cc1F	1334794075	PFGYPENIVVATIF-UHFFFAOYSA-N	310.413	3.357	10	20	DGCD	
CO[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	1335890320	XANLVTMOMXTNGZ-MSOLQXFVSA-N	316.445	3.108	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CC=CCC1	1344502605	QCKHSQJQAYXUIL-UHFFFAOYSA-N	304.419	3.135	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccc(N(C)C)cc1	1354908227	AQUKXALTURXZOW-JEBQAFNWSA-N	309.413	3.129	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CC=C(C(C)(C)C)CC1	1355343851	FCTMPIHKVKRVRW-UHFFFAOYSA-N	318.446	3.432	10	20	DGCD	
Nc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1	1356083536	RNMOPNQNOYLXJG-KRWDZBQOSA-N	310.397	3.377	10	20	DGCD	
C[C@H](Sc1nccs1)C(=O)N[C@@H]1CCOc2ccccc21	52914369	PXWNBJAOZXASSZ-CMPLNLGQSA-N	320.439	3.264	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCc1cc(F)ccc1F	65072767	UHKDORWPZSBUPB-UHFFFAOYSA-N	305.324	3.262	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)c2ccc(C)cc2)c1O	73781650	PHKQWNFLDPKHFQ-ZDUSSCGKSA-N	314.385	3.270	10	20	DGCD	
CN(CCc1cccs1)Cc1ccc(N2CCOCC2)cc1	104944820	VZYDKZHXUDBGHA-UHFFFAOYSA-N	316.470	3.259	10	20	DGCD	
Cc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)nc1	121044819	MPTHIIFUJGKZRW-SFHVURJKSA-N	312.413	3.277	10	20	DGCD	
Cc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1	145466590	SRWKUENCURXQCN-INIZCTEOSA-N	324.424	3.323	10	20	DGCD	
Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1C(C)C	179784009	PCXGUWMVSHDPDS-UHFFFAOYSA-N	314.433	3.111	10	20	DGCD	
C[C@@H](NCC1CCN(c2ccncc2)CC1)c1ccccc1O	183591045	AKVKYNWCZCZSPW-OAHLLOKOSA-N	311.429	3.354	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(-n3cncn3)cc2)c(O)c1	185353883	LVYOHRIPLRLYPF-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(F)c(F)c1O	187806207	GNOBSLMEPCDPTE-SNVBAGLBSA-N	323.387	3.380	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCCCC[C@@H]1c1ccncc1	188192668	IKLUVTZKNNDFIS-OAHLLOKOSA-N	312.369	3.250	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1cccc(F)c1F	209916714	ICCSBFQUMXTJFV-FMIVXFBMSA-N	308.353	3.421	10	20	DGCD	
Cc1cc([C@](C)(O)CNCc2cccc(Cl)c2O)c(C)o1	271871313	XTDPQQIUSRKMOY-MRXNPFEDSA-N	309.793	3.253	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)c(O)c1	273481195	MBKJQBDLDFIWMX-CRAIPNDOSA-N	324.424	3.152	10	20	DGCD	
COc1ccc2c(c1)[C@@H](NCc1ccc(N(C)C)cc1)CCO2	274230795	FCDWXTAVKXBJLX-SFHVURJKSA-N	312.413	3.375	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@H](C)c1c(C)cc(C)cc1O	284297112	YKELALAXAUHOJN-HZPDHXFCSA-N	308.466	3.016	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@@H](CC)c1ccc(F)cc1O	286055483	LFOIFFZMWKGMAU-AWEZNQCLSA-N	321.396	3.077	10	20	DGCD	
CC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1O	287643177	KYHFFAYWNOVYQD-FZMZJTMJSA-N	320.824	3.001	10	20	DGCD	
Cn1ccnc1[C@H]1N(Cc2c(O)cccc2Cl)CC1(C)C	294700759	CZQGWBPRVHVOLN-CQSZACIVSA-N	305.809	3.362	10	20	DGCD	
CCOc1cccc(CNCc2cnc(OC)c(Cl)c2)c1O	295130177	YKBLRPLAEQKECR-UHFFFAOYSA-N	322.792	3.138	10	20	DGCD	
CC[C@H](COCC(F)(F)F)NCc1ccc(N(C)C)cc1	295205976	ZIFAVSSISWLICQ-CYBMUJFWSA-N	304.356	3.200	10	20	DGCD	
C[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1	301061133	CGAJGMRROUJERM-ZDUSSCGKSA-N	318.442	3.329	10	20	DGCD	
CSCCNCc1cc(Cl)cc(Br)c1O	708158292	QPBIHSMMYNRRPZ-UHFFFAOYSA-N	310.644	3.261	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCCc3cc(Cl)cc(F)c32)cn1	731585656	JUJUFJWXJKVNRS-PLNGDYQASA-N	319.767	3.205	10	20	DGCD	
O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(O)cs1	732266603	GQRQWRCGIUZATJ-UHFFFAOYSA-N	317.395	3.148	10	20	DGCD	
CCc1cccc(NC(=S)NCc2cc(OC)ccc2O)c1	733907122	TUKXGDFNGXMYBS-UHFFFAOYSA-N	316.426	3.450	10	20	DGCD	
CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccc2O)cc1	751150325	BTRHLEMJJGTNKV-UHFFFAOYSA-N	319.426	3.168	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccccc2F)c1	756354386	AAAFUPAPIWEXSP-LLVKDONJSA-N	303.333	3.169	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)Cc2ccco2)c1	756381168	XTRSYBXELXKYOX-RYUDHWBXSA-N	303.358	3.054	10	20	DGCD	
C[C@H](N[C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O	756605840	VAHKIWAANGZFDE-MEDUHNTESA-N	307.340	3.445	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@@H](C)c1ccc(F)cc1O	757658159	WQDBAWLFGGJICN-GXTWGEPZSA-N	307.365	3.423	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C)[C@@H](C)C1	766800486	MWLVYQXKTLVQTG-ZFWWWQNUSA-N	303.450	3.249	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CN1[C@H](C)CC[C@H]1C	769290818	JRSMPSZQIMYAMA-HUUCEWRRSA-N	304.434	3.004	10	20	DGCD	
Cc1cccc2c1CCCN2C(=O)/C=C\c1ccc(O)c(O)c1	779522094	RBZDIPKSNRSRED-NTMALXAHSA-N	309.365	3.399	10	20	DGCD	
CC[C@H](CO)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	779616155	QDRGWDKQTXHXGN-MRXNPFEDSA-N	318.461	3.090	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2CCO)c(C(F)(F)F)c1	793093605	PUERVQUZYZELOU-CYBMUJFWSA-N	316.367	3.118	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCC[C@@H]1C	798416745	PTJUFQWUQSJKSH-DZGCQCFKSA-N	303.450	3.296	10	20	DGCD	
CCCN(CC)C[C@@H](C)NCc1c(O)ccc(Cl)c1F	810180363	VXFADYVACJCVNO-LLVKDONJSA-N	302.821	3.395	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCOC[C@@H](C2CCC2)C1	814178491	RUMYWJKGADEFSU-LBPRGKRZSA-N	313.800	3.433	10	20	DGCD	
C[C@@H]1CCN(CCN[C@H](C)c2cccc(C(F)(F)F)c2O)C1	815585989	WTXZRCBLMLRZMD-VXGBXAGGSA-N	316.367	3.403	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN1)c1ccc(N2CCCCCC2)cc1	817951228	CBMNVYOILCSFQR-AEFFLSMTSA-N	301.478	3.470	10	20	DGCD	
C[C@H](NCCc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1	817957251	KEGYKEIEVKDNGW-PXNSSMCTSA-N	323.484	3.312	10	20	DGCD	
O[C@H](CNCCCSc1nccs1)c1cccc(F)c1	819062760	JJYFUIJHSTUJRK-CYBMUJFWSA-N	312.435	3.088	10	20	DGCD	
CCCCCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819579773	CSTLOYBCGKOLBA-HNNXBMFYSA-N	304.434	3.218	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3cccnc32)cc1	819844232	YQRYKRFLFZFVQE-SFHVURJKSA-N	323.440	3.274	10	20	DGCD	
Cc1cc(O)c(CN2CCCc3c(cnn3C)C2)cc1Cl	826120403	CYEFYKITBISFTP-UHFFFAOYSA-N	305.809	3.036	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CCC2CCCCC2)cc1	832292110	AAJSYXGYGZDHOE-SFHVURJKSA-N	317.477	3.229	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)c1ccc(N(C)C)cc1	832435733	DJLVLLJBAAGCKM-APHBMKBZSA-N	304.434	3.133	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccc(C(=O)O)o2)c1	833733812	RIDQRZUBHPJOPE-UWVGGRQHSA-N	305.330	3.104	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC2(CCOCC2)[C@@H]1C1CC1	840948624	HCKCYUSHNDXKHO-IBGZPJMESA-N	314.473	3.452	10	20	DGCD	
COc1cccc([C@@H](C)NCCCCn2ccnc2C)c1O	846144566	HWUFHXPEMQYZHT-CYBMUJFWSA-N	303.406	3.037	10	20	DGCD	
C[C@H](CC(=O)NCc1cc(Cl)ccc1O)c1ccncc1	846476812	QSUFGUHRZNFGNT-LLVKDONJSA-N	304.777	3.251	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](C)C(=O)OC(C)(C)C)c1O	848563496	SZJMYBKLIRMTAB-NWDGAFQWSA-N	309.406	3.029	10	20	DGCD	
O=C(NCCSc1ncc(Cl)s1)OCC(F)(F)F	849999568	UJPRDFIOLCLCCI-UHFFFAOYSA-N	320.745	3.177	10	20	DGCD	
COc1cc(CNCCC2(O)CCC2)c(O)c(C(C)(C)C)c1	850289712	NKQWPNXQMMUXKC-UHFFFAOYSA-N	307.434	3.093	10	20	DGCD	
CC1(C)C[C@@]1(CNC(=O)Cc1ccc(N)cc1)c1ccccc1	852931038	RDGBTJNJWGRDBC-HXUWFJFHSA-N	308.425	3.295	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)Cc2cnc[nH]2)c1C	855134620	UOIGPRUJDPQLQO-UHFFFAOYSA-N	322.412	3.398	10	20	DGCD	
CCOc1ccc(CC(=O)NCc2cc(Cl)ccc2O)cc1	857547348	ZTRYBBWIOQUTCT-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2CCC2)cc1	859267402	XSURDHGARWHNRE-UHFFFAOYSA-N	310.397	3.118	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2CCCCO2)c(C)n1-c1ccccc1	863165692	LCGYTAHERSTJBE-GOSISDBHSA-N	312.413	3.279	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C=O)s1	865027641	YKKWZNPQWNWCLK-UHFFFAOYSA-N	316.426	3.289	10	20	DGCD	
CCCOc1ccc(CN[C@H](C)Cc2cnn(C)c2)cc1C	873129014	DRDXRWNENOPMFR-OAHLLOKOSA-N	301.434	3.238	10	20	DGCD	
OC1CCN(c2ccc(CNCC34CCC(CC3)C4)cc2)CC1	877125193	ZTKRQUWLDGIIIT-UHFFFAOYSA-N	314.473	3.318	10	20	DGCD	
COc1ccc(CNC23CC4CC(CC(C4)C2)C3)c(O)c1OC	893310411	BIBLQEXTAMRQJL-UHFFFAOYSA-N	317.429	3.468	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C	894044003	HPYDSVDCAQGCFT-GOEBONIOSA-N	306.450	3.014	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)c2c(F)cncc2F)c1O	894756958	OPFIGAOXACROHJ-JTQLQIEISA-N	308.328	3.233	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCc2ncncc2C1	895722818	KXFRNFDWUDXSNA-UHFFFAOYSA-N	310.184	3.047	10	20	DGCD	
O=C(O)c1ccc(CCNCc2ccc3c(c2)CCCO3)cc1	900035661	LZJITAMYGSVZKU-UHFFFAOYSA-N	311.381	3.042	10	20	DGCD	
CC[C@H](NCc1cn(C)cn1)c1cc(Br)ccc1O	903351346	JWAMWQCBMJPNMI-ZDUSSCGKSA-N	324.222	3.129	10	20	DGCD	
Cc1oc(C(C)(C)C)cc1C(=O)NCCc1ccc(N)cc1	911782773	MXJVFFMLPJZEHS-UHFFFAOYSA-N	300.402	3.440	10	20	DGCD	
CCO[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	916114588	GUQQSLRRMQKWFK-ROUUACIJSA-N	316.445	3.060	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@@H](C)N(C(=O)CC(C)C)C2)cc1C	987836346	SLSRECVWMCMZSR-NVXWUHKLSA-N	318.461	3.129	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@@H]2CCCC[C@H]2C)cc1C	1133058314	WNCLVRSSLNKRFD-RHSMWYFYSA-N	318.461	3.036	10	20	DGCD	
CCOCc1cc(CNCCC2CCOCC2)ccc1OC	1321831547	GHRSJSIEDPZBSM-UHFFFAOYSA-N	307.434	3.138	10	20	DGCD	
CCc1noc(-c2ccc(CCNCc3ccc(N)cc3)cc2)n1	1334753245	BLVIBRDUNSMXDH-UHFFFAOYSA-N	322.412	3.214	10	20	DGCD	
C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(N3CCCC3)cc2)C1	1346845635	BJKOJDDYILSWLK-NRJQMVOHSA-N	320.502	3.066	10	20	DGCD	
CN(Cc1cccc(F)c1F)c1ccc(OCC(=O)O)cc1	1598525987	BJJDPCOZSFZURU-UHFFFAOYSA-N	307.296	3.065	10	20	DGCD	
Cc1ccc(O)c(CN(C)[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1	1605875566	JIWKHEPMXGGZRI-ZDUSSCGKSA-N	323.400	3.074	10	20	DGCD	
Cc1cc([C@@H](NCc2cccc(Cl)c2O)C(=O)O)ccc1F	1610449551	CKUYPEGTDOLCRK-CQSZACIVSA-N	323.751	3.409	10	20	DGCD	
CCCCC(=O)N1CC[C@H](CNCc2ccc(OC)c(C)c2)C1	1752929879	QFTRLODMZLYAMZ-QGZVFWFLSA-N	318.461	3.132	10	20	DGCD	
CCN(CC)c1ccc(CNC2(C(=O)O)CCCCC2)cc1	1776861254	YQBJMEKYFTVQKJ-UHFFFAOYSA-N	304.434	3.410	10	20	DGCD	
C[C@@H]1CCCN(C(=O)NCCCSc2nccs2)[C@@H]1C	177853136	FNMRQOJWFADWLZ-VXGBXAGGSA-N	313.492	3.455	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1cc(F)cc(C(F)(F)F)c1	178722430	LRYLMMRKCWTHGL-BAQGIRSFSA-N	307.293	3.333	10	20	DGCD	
CC[C@@](C)(NCc1cc([N+](=O)[O-])ccc1O)c1nc(C)cs1	174499428	ZXNDCUQSKDZDDJ-OAHLLOKOSA-N	321.402	3.480	10	20	DGCD	
C[C@H]1CN(c2ccc(CNCc3ccco3)cc2F)C[C@H](C)O1	69751726	ZPHQINLGFLRWQS-KBPBESRZSA-N	318.392	3.322	10	20	DGCD	
CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)C(C)C	170929067	JCCNVLSRSQCLGF-MRXNPFEDSA-N	319.493	3.077	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@H](N4CC=CC4)C3)c2c1	172932094	CWBYJFDMEBYNOI-INIZCTEOSA-N	324.424	3.000	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)[C@H](O)Cc2ccccc2)c1	186147605	QHJRZWMKNJTLHB-IQUTYRLHSA-N	315.413	3.044	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccccc1)C1CC1	180620996	KDYPQNQLUYBDQT-YRNVUSSQSA-N	309.365	3.302	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c(O)c1O	184783226	FPRJCETZCQSQOH-XHDPSFHLSA-N	312.369	3.025	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccccc2o1	183428944	PRWOVICNKWQDJK-NSHDSACASA-N	311.337	3.205	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(F)c(C#N)c2)c1	182348881	QHMRQBVDVWCUCI-LLVKDONJSA-N	300.333	3.262	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1	77615025	SBKQZEJJFOFCJN-DLBZAZTESA-N	311.381	3.129	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)C[C@@H](C)c2nccs2)c1O	184001439	QHHAIGHLRCBVDC-SNVBAGLBSA-N	322.405	3.426	10	20	DGCD	
Clc1ccc(NCc2ccc(N3CCOCC3)cc2)cn1	149461006	MMYFIADIYWXZBA-UHFFFAOYSA-N	303.793	3.184	10	20	DGCD	
COC(=O)CN(Cc1ccc(N2CCCCC2)cc1)C(C)C	93286935	IGANVUXYEMJWDC-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)Cc1ccc(N)cc1	236642250	FWGPUJGUJXZXRF-GOSISDBHSA-N	324.424	3.190	10	20	DGCD	
O=C(CC1CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	266369638	INAXKVKGXXIPQM-CYBMUJFWSA-N	324.371	3.173	10	20	DGCD	
CO[C@@H]1CCC[C@H](C(=O)NCc2c(C)c3ccccc3n2C)C1	352078692	ALWODGLLDGIXFY-LSDHHAIUSA-N	314.429	3.308	10	20	DGCD	
COC[C@@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	266008144	OOSQLIYCHJNPSF-CQSZACIVSA-N	318.442	3.264	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)c(OC)c1	273302355	BSPMFZVYDQLAKT-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
CC[C@@H](NCc1ccc(-n2ccnc2)nc1)c1ccccc1O	373212837	VHUSGOPJWGSXIW-MRXNPFEDSA-N	308.385	3.214	10	20	DGCD	
C[C@H](CCCO)NCc1ccc(N(C)C)cc1C(F)(F)F	280287164	NGANXQUWRXCLCU-LLVKDONJSA-N	304.356	3.022	10	20	DGCD	
COc1ccc(N2CCC(NCC3(C4CC4)CC3)CC2)cc1	378404802	PUKKMRAKVDXKER-UHFFFAOYSA-N	300.446	3.444	10	20	DGCD	
CN(C)c1ccc(CNCc2cnc(C(C)(C)C)nc2)cc1F	284404448	PZYTWWBVIMHGHG-UHFFFAOYSA-N	316.424	3.269	10	20	DGCD	
COC1(CCNCc2cc(Cl)cc([N+](=O)[O-])c2O)CCC1	293022559	QUAANGZKMAVFNZ-UHFFFAOYSA-N	314.769	3.003	10	20	DGCD	
CCc1nc(C)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)o1	291822816	DOFLGFLTIYNITR-SECBINFHSA-N	305.334	3.010	10	20	DGCD	
COC(=O)c1cccc(CNCc2c(O)ccc(Cl)c2F)c1	809729862	QASGTORIYKPPOU-UHFFFAOYSA-N	323.751	3.261	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](C)c2cc(Cl)c(Cl)cc2O)CCN1	817971803	QDQJFYTXGFMRHY-BBBLOLIVSA-N	303.233	3.490	10	20	DGCD	
Cc1cc([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)oc1C	817941875	LHYQUQDMFGWJEB-DYVFJYSZSA-N	301.434	3.313	10	20	DGCD	
COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(O)c1O	727005144	IADHZYVQJYQXPD-UHFFFAOYSA-N	322.744	3.425	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H]3CN(C)CC[C@@H]32)cc1Cl	825935506	WIDBZDOGJUHZRH-BBRMVZONSA-N	308.853	3.270	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(Br)cc2O)CCS1	825691800	BVXWEPFTECBERK-SNVBAGLBSA-N	316.264	3.482	10	20	DGCD	
CCc1ccc(NC(=S)NCc2cc(OC)ccc2O)cc1	733905666	CRRFPRUFJMQMPM-UHFFFAOYSA-N	316.426	3.450	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCOC(C)(C)C2)c1	834913048	YXQVEDUPUMRXLJ-CHWSQXEVSA-N	321.417	3.035	10	20	DGCD	
CC[C@@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(C)cc1O	903063415	FCGWCXGCYAMJEH-GDBMZVCRSA-N	302.422	3.267	10	20	DGCD	
C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)[C@@H]1CCN	844902100	NKKKRONGSYQLHW-IINYFYTJSA-N	300.805	3.134	10	20	DGCD	
COc1cccc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)n1	840975226	DXURTAPQOVVFTF-OAHLLOKOSA-N	313.445	3.185	10	20	DGCD	
O[C@H](CNCc1ccc2c(c1)CCO2)c1cccc(Cl)c1	918197492	IBCGEMGQXXTYMB-MRXNPFEDSA-N	303.789	3.098	10	20	DGCD	
Nc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1	841296139	PCYDKNVWQSAMJJ-DLBZAZTESA-N	311.385	3.311	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCC3(CCOCC3)C2)c1	743406682	YOJVONDXJNVEMV-UHFFFAOYSA-N	319.445	3.398	10	20	DGCD	
COc1cccc([C@@H](C)Nc2cccc(C(=O)N(C)C)c2)c1O	846160428	SYXZZANNPZUMED-GFCCVEGCSA-N	314.385	3.276	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc(Cl)cc2F)cc1	841045732	OZKRINLRUXVLSN-QGZVFWFLSA-N	321.827	3.335	10	20	DGCD	
CCOC(=O)CC1CCN(Cc2ccc(N(C)C)cc2C)CC1	840910478	NRBIRQFUTKCUSZ-UHFFFAOYSA-N	318.461	3.226	10	20	DGCD	
Cc1sc(N[C@H](C)c2ccc(N(C)C)cc2)nc1C(=O)O	844211631	DXIXXMGRSXMRTI-SECBINFHSA-N	305.403	3.389	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](O)c2ccc(C)cc2)c1O	846145295	PFQPSRGKCQSQSY-XJKSGUPXSA-N	301.386	3.093	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCC[C@@H](N)C2)c(C(F)(F)F)c1	841057302	IYDSSUUDBAEDGS-OLZOCXBDSA-N	315.383	3.131	10	20	DGCD	
C[C@]1(c2ccccc2)CN(C(=O)Nc2ccc(N)cc2)CCO1	841300866	UZFHUNZKVVRTPQ-GOSISDBHSA-N	311.385	3.048	10	20	DGCD	
COC(=O)CC1(NCc2cc(C)c(C)cc2O)CCCCC1	756131103	HWXZECZBLALWLZ-UHFFFAOYSA-N	305.418	3.365	10	20	DGCD	
C[C@@H](NC(=O)NCCCc1ccco1)c1ccc(N(C)C)cc1	852261732	USBSVVJIMCQGCX-CQSZACIVSA-N	315.417	3.339	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cc(Cl)ccc1O	850503042	TVPLUIFYQZEBLE-YBQGDOTASA-N	315.866	3.386	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H]2CN2CCCCC2)c1O	754731432	BTVRALNRFQSFFI-KRWDZBQOSA-N	318.461	3.160	10	20	DGCD	
Cc1ccccc1[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F	858134886	JKRZULCLNQIARL-SFHVURJKSA-N	320.383	3.162	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H]2CCCCN(C)C2)cc1	858244131	ACXLBXDTXNRLCL-GOSISDBHSA-N	303.494	3.354	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)o1	756603426	BPDNXAOWSRYLME-DUFXMDAXSA-N	305.349	3.304	10	20	DGCD	
COCc1cccc(CNC(=O)N[C@H](C)c2ccccc2O)c1	868094552	LNNNULSMSKYBDC-CYBMUJFWSA-N	314.385	3.099	10	20	DGCD	
C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H](C2CC2)O1	862352107	ZFGVUZYHTNJTKQ-APPDUMDISA-N	310.388	3.030	10	20	DGCD	
COc1ccc([C@H]2CCN(Cc3c(O)cccc3OC)C2)cc1	769246268	ZBNAAKMOZWNBQD-HNNXBMFYSA-N	313.397	3.399	10	20	DGCD	
C[C@@H](NCc1ccccc1OCCCCO)c1ccccc1O	877755885	QTVJOROLDRKODN-OAHLLOKOSA-N	315.413	3.394	10	20	DGCD	
Cc1nonc1CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	872136272	LBTSCDDGUNVQEF-GFCCVEGCSA-N	318.396	3.358	10	20	DGCD	
CC(C)CNC(=O)C1CCN(Cc2cccc(Cl)c2O)CC1	775647920	HSCSFNHTLMIXPL-UHFFFAOYSA-N	324.852	3.030	10	20	DGCD	
Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	773086648	FIYDMALYOUZIJM-AWEZNQCLSA-N	318.442	3.101	10	20	DGCD	
CO[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(C)C	771330097	CHIQDECELXEIHY-SFHVURJKSA-N	318.461	3.210	10	20	DGCD	
C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CO1	784312012	HYHIZAHAUVXPPJ-WBVHZDCISA-N	316.445	3.060	10	20	DGCD	
CCn1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c(C)n1	891596119	LSIMXARZGNENFM-UHFFFAOYSA-N	312.461	3.442	10	20	DGCD	
CCCc1nc(C)c(C(=O)NCc2ccc(OC)cc2O)s1	794377800	WKJFPZAUNUMYEZ-UHFFFAOYSA-N	320.414	3.048	10	20	DGCD	
CC[C@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N(C)C)cc1C	793517954	YLBUCLWAVRSDPW-KBXCAEBGSA-N	320.477	3.255	10	20	DGCD	
CC[C@H](C)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	790512445	AGVQKYFSVFMZFD-GJZGRUSLSA-N	304.434	3.137	10	20	DGCD	
CCOC(=O)/C(=C\c1ccc2c(c1)CCN2C)c1ncccc1C	794955379	XKUVICRSRPZGJA-LGMDPLHJSA-N	322.408	3.486	10	20	DGCD	
CCC(C)(CC)C(=O)NCCCNCc1ccc(OC)c(C)c1	1176537927	HBLSENDAVORBEY-UHFFFAOYSA-N	320.477	3.426	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ncc(Cl)s2)c1	1324954357	NPJYUVYHFQQMGR-SSDOTTSWSA-N	312.778	3.002	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](N)C2CCCCC2)cc1	1326371975	UQJYTLHIEJJDNP-SFHVURJKSA-N	317.477	3.057	10	20	DGCD	
Nc1ccc(CN2CCO[C@H](c3cccc(Cl)c3)C2)cc1	1334774788	OCPLWFMMERIERK-KRWDZBQOSA-N	302.805	3.496	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(CC(=O)O)CC2)cc1F	1349374685	BVZKVLZRQONKHC-UHFFFAOYSA-N	308.397	3.016	10	20	DGCD	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(N)cc1	1346738264	FSZDHQRVCSNAEQ-RDTXWAMCSA-N	309.413	3.356	10	20	DGCD	
CCN1CCCc2cc(CNC3CC(CCC(=O)O)C3)ccc21	1776876068	QLWKMYHXHVTQOK-UHFFFAOYSA-N	316.445	3.192	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@](C(=O)O)(C3CCC3)C2)cc1	1776855608	QWWUDWQGXIKQFO-LJQANCHMSA-N	316.445	3.220	10	20	DGCD	
Oc1ccccc1CN(Cc1cncs1)C[C@H]1CCCO1	160174024	MXDMLBOYRGMWKD-CQSZACIVSA-N	304.415	3.030	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)c2ccccc2S(C)(=O)=O)c1	164802312	MNNSPCPGYMZMHW-UHFFFAOYSA-N	319.426	3.049	10	20	DGCD	
C[C@@H](NCCn1ccnc1)c1ccc(N2CCCCC2)c(F)c1	155647071	RIMIJVPHAMWWCC-OAHLLOKOSA-N	316.424	3.363	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(CO)o1	155247884	HXIGNNVRFXEEPI-UHFFFAOYSA-N	314.429	3.394	10	20	DGCD	
Cc1cc(C(=O)N[C@@]2(C)CCOC2)c(C)n1-c1ccc(F)cc1	157700480	QRQUGSBXAMJHDQ-SFHVURJKSA-N	316.376	3.142	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cn1cnc(-c2ccccc2)n1	117861771	BXCNEKXBUKAPBF-UHFFFAOYSA-N	321.428	3.101	10	20	DGCD	
C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N(C)C)cc1	128989464	AZKMHGBGBONELI-HNAYVOBHSA-N	323.440	3.209	10	20	DGCD	
Cc1ccccc1[C@H](C)CC(=O)NCCc1ccc(O)c(O)c1	156663206	JRBBDOYCTMMTTJ-CQSZACIVSA-N	313.397	3.259	10	20	DGCD	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Cc1ccc(N)cc1	159800257	WMLROQMBRVZIOU-XJKSGUPXSA-N	312.388	3.355	10	20	DGCD	
COc1cc(O)c(CN2CCc3ccsc3C2)cc1OC	160509254	TVYSUPJGYDBZKS-UHFFFAOYSA-N	305.399	3.029	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c(O)c1O	179515010	YCMCCLNWXSSRHF-OAHLLOKOSA-N	311.381	3.111	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](Cc2ccccc2)C1	180809231	UIXYAKOEGXBMDE-LKUPDRCFSA-N	323.392	3.202	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)C[C@H](C)c2nccs2)c1O	184001426	QHHAIGHLRCBVDC-JTQLQIEISA-N	322.405	3.426	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(C(=O)NC3CC3)cc2)cc1	192745795	QTERZLRGSYRALV-UHFFFAOYSA-N	309.413	3.257	10	20	DGCD	
C[C@H](O)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	273379225	HUJWQENDLBJLKT-NEPJUHHUSA-N	316.357	3.205	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)c2ccn(C)n2)c1	274827588	UGEQEDHKGUXUBF-UHFFFAOYSA-N	322.412	3.413	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(Cl)c(Cl)cc1O)c1ncn(C)n1	278793774	QNPZHNXNXJXAGZ-SFYZADRCSA-N	315.204	3.239	10	20	DGCD	
CC[C@@H](NCc1csc(COC)n1)c1ccc(F)cc1O	289901892	TYIVYGYMKLJCCO-CYBMUJFWSA-N	310.394	3.375	10	20	DGCD	
CCOCc1cc(CN[C@H](CCO)C(C)(C)C)ccc1OC	290960176	WCQCELMZIKHDPZ-QGZVFWFLSA-N	309.450	3.118	10	20	DGCD	
C[C@H](C(=O)NCc1cccc(Br)c1O)C(C)(F)F	295232200	CYDOUJJDNNAOPC-SSDOTTSWSA-N	322.149	3.062	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@H](O)Cc2cccc(F)c2)c(O)c1	297216071	GZVCBKSSCUFABA-RHSMWYFYSA-N	317.404	3.402	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1cccc2c1CCNC2	326049456	ZTOLTALSHHYMLA-UHFFFAOYSA-N	321.424	3.185	10	20	DGCD	
CN(C)CCCC(C)(C)NCc1ccc(N2CCCC2)cc1	387221745	SRSZJAFDYBECDG-UHFFFAOYSA-N	303.494	3.497	10	20	DGCD	
C[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)CN1Cc1ccccc1	398187758	YPNLTPUOXPBHOJ-KBXCAEBGSA-N	324.428	3.053	10	20	DGCD	
O=C(COc1cccc2ccccc12)NCc1ccccc1O	748354166	GFNOMHHUHDQOHG-UHFFFAOYSA-N	307.349	3.241	10	20	DGCD	
CCOCc1cc(CN[C@H]2C[C@H](OC)C2(C)C)ccc1OC	753374171	QGJZEXFVNDQAIJ-IRXDYDNUSA-N	307.434	3.135	10	20	DGCD	
CC(C)(C)[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	756338491	LSCPETRNBRWUKZ-MRXNPFEDSA-N	304.434	3.266	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(OC)ccc1O	756634593	AZUIFRGJPKRFOL-GOEBONIOSA-N	315.413	3.309	10	20	DGCD	
OC[C@@H](CC(F)(F)F)NCc1ccc(N2CCCCC2)cc1	756994737	YXQGPFUBRKWANL-CQSZACIVSA-N	316.367	3.080	10	20	DGCD	
COc1ccc(N(C)Cc2cn(-c3ccccc3)nn2)cc1F	757852775	QYRDMRQYQPUBKW-UHFFFAOYSA-N	312.348	3.051	10	20	DGCD	
Cc1sc(Cl)nc1C(=O)NCc1ccc(N(C)C)cc1	762836312	AWROTJQRVCRIJY-UHFFFAOYSA-N	309.822	3.101	10	20	DGCD	
CC(=O)CCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C	762852372	JMHOCJXDGCOKJM-UHFFFAOYSA-N	314.385	3.405	10	20	DGCD	
Oc1c(Br)cccc1CN=c1cc[nH]cc1Cl	764935438	UEQYWCRGILEIBC-UHFFFAOYSA-N	313.582	3.237	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCN(C)CC(F)(F)F)cc1	765928024	KDEMCIZYOMNANZ-CYBMUJFWSA-N	317.399	3.287	10	20	DGCD	
COc1ccc2c(c1)CCCN2CN1C(=O)C[C@H]1c1ccccc1	766341923	USLZAPDZZLTVSW-IBGZPJMESA-N	322.408	3.379	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cc(C)n(C)n2)cc1	767887229	HYZWWZMJXKRLAC-UHFFFAOYSA-N	300.450	3.207	10	20	DGCD	
CCC(C)(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774480467	CCYIKESFWSLIGM-ZIAGYGMSSA-N	305.466	3.097	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1	775363931	NTNRGURXZZPPGR-CQSZACIVSA-N	308.429	3.490	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1ccccc1O	779020830	TZOSVQYUXDSHTM-SJORKVTESA-N	310.441	3.487	10	20	DGCD	
CC[C@@H](N[C@H]1CCn2ccnc2C1)c1cc(Cl)ccc1O	779067354	VZBNVDPYQWIEHB-GXTWGEPZSA-N	305.809	3.298	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c(O)c1O	780904094	YADITMJOZXWMPZ-ZWNOBZJWSA-N	301.342	3.053	10	20	DGCD	
CC(C)[C@@](C)(O)CN[C@H](C)c1cccc(C(F)(F)F)c1O	788591886	JHRBZVMKKYTZGJ-YGRLFVJLSA-N	305.340	3.469	10	20	DGCD	
CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1	790778686	KETNZPHJFBSSDJ-HNNXBMFYSA-N	303.333	3.364	10	20	DGCD	
COc1c(NCc2cccc(C)c2O)cc(Cl)cc1C(N)=O	793627508	GWXFOMUSESJZSL-UHFFFAOYSA-N	320.776	3.074	10	20	DGCD	
c1cnc2c(c1)CCC[C@H]2NCc1ccc(N2CCOCC2)cc1	798926079	HTANADOMWCEZPE-LJQANCHMSA-N	323.440	3.085	10	20	DGCD	
C[C@H](NC(=O)Nc1cc2ccccn2n1)c1ccc(N(C)C)cc1	806650048	QKPATNMVPQDNNP-ZDUSSCGKSA-N	323.400	3.283	10	20	DGCD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(Cc2c(O)ccc(Cl)c2F)[C@H]31	809696974	BDTDPWLFGRLDII-DJEXJWGGSA-N	311.784	3.040	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H](O)c1ccsc1	816552174	CRMUKARMCDEPDN-CYBMUJFWSA-N	301.770	3.069	10	20	DGCD	
CN(Cc1cccc(Cl)c1O)C[C@@](C)(O)c1ccccc1	822516952	RLOFKANCJDYURL-QGZVFWFLSA-N	305.805	3.385	10	20	DGCD	
Cc1cnccc1CNCc1ccc(N2CCSCC2)cc1	823667088	YTTMIPDGUURIKH-UHFFFAOYSA-N	313.470	3.233	10	20	DGCD	
CCOc1ccc(CN2CC(C)(C)[C@@H]2c2nccn2C)c(O)c1	824620410	NLNHZNDLFUELPB-INIZCTEOSA-N	315.417	3.108	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CCO)c2ccccc2F)cc1	830355045	CLJNWQJQFNHASM-GOSISDBHSA-N	302.393	3.105	10	20	DGCD	
CCCCO[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839920038	ZXYDQBRBUAEGDT-HZPDHXFCSA-N	320.477	3.313	10	20	DGCD	
CC[C@](O)(CC(=O)N(C)Cc1ccccc1O)c1ccccc1	840394527	HCKBVXGMSIUDRV-IBGZPJMESA-N	313.397	3.039	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(C)C[C@H](O)Cc1ccccc1	840951068	XZSINFLFPXVLMJ-HXUWFJFHSA-N	312.457	3.096	10	20	DGCD	
CCOCc1cc(CNC[C@@H]2C[C@H](C)O[C@H]2C)ccc1OC	840962481	DKKBTNRMXMUINI-DZKIICNBSA-N	307.434	3.135	10	20	DGCD	
CCc1nn(C)cc1CN[C@@H](C)Cc1ccc(N(C)C)cc1C	840975057	CDFNBBIOYUXBPA-HNNXBMFYSA-N	314.477	3.078	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@H]2c2ccccc2)cc1	841961611	FZMHOWIMXKYSBN-SFHVURJKSA-N	309.413	3.358	10	20	DGCD	
C[C@H](CO)C1CCN(Cc2cc(Cl)c(F)cc2O)CC1	846058096	LDGHDVOVGYRXJH-SNVBAGLBSA-N	301.789	3.025	10	20	DGCD	
COc1cccc([C@@H](C)NC2CCN(C3CCCC3)CC2)c1O	846150550	RHOMSUINENZHIZ-CQSZACIVSA-N	318.461	3.458	10	20	DGCD	
CCc1cccc(CNCc2c(CC)nn(C)c2CC)c1O	848898831	HSMLNNPCYDDMDB-UHFFFAOYSA-N	301.434	3.103	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CC[C@H]2CC2(Cl)Cl)cc1	854271398	FOZAXDUGVRMUAY-LBPRGKRZSA-N	315.244	3.343	10	20	DGCD	
CN(C)c1ccc(CN2CCc3n[nH]cc3C2)c(C(F)(F)F)c1	857878660	QAKJDYPRYNAUFQ-UHFFFAOYSA-N	324.350	3.053	10	20	DGCD	
CC[C@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(C)cc1O	858479362	PQYWSQBNPANRNB-ZFWWWQNUSA-N	312.404	3.471	10	20	DGCD	
COCCC1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1	862436479	GDCCGLJVIGGLBR-UHFFFAOYSA-N	312.404	3.279	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccc(C(F)(F)F)[nH]2)SC1=S	864087067	OSHIFFHGLYKHIH-ALCCZGGFSA-N	306.334	3.255	10	20	DGCD	
COc1ccc(CNCc2ccc([C@H]3C[C@@H]3C)o2)c(O)c1OC	892621139	HRWBNYROJWMISK-FZMZJTMJSA-N	317.385	3.416	10	20	DGCD	
COc1ccc(CN[C@@H]2CCc3ccc(C)cc32)c(O)c1OC	892920778	KMOAMQFWMNMXQE-MRXNPFEDSA-N	313.397	3.495	10	20	DGCD	
CCC1(CC)[C@@H](NCc2ccc(OC)c(OC)c2O)C[C@H]1OC	893172119	MCIOFWQFCOACOD-LSDHHAIUSA-N	323.433	3.093	10	20	DGCD	
CN(C)c1ccc(/C=C/CN2CCCCC[C@H]2C(=O)O)cc1	902039144	LZIMDSFVXSBGSC-LXXRFIIISA-N	302.418	3.095	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CC[C@H]1C2	914689451	CXQLUEOCSBRKIF-OWIUFQIYSA-N	315.461	3.377	10	20	DGCD	
COc1ccc(CNCCCNC(=O)CC2CCCC2)cc1C	1154277532	ABZLUEUANICUQD-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
CCC[C@@H](C)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1320490057	JRABPPVGIUCUOS-OAHLLOKOSA-N	307.457	3.198	10	20	DGCD	
Cc1cc(C(=O)N2C[C@H](F)[C@H](F)C2)c(C)n1-c1ccc(F)cc1	1324677923	ATNQQEHRWJZLPC-IYBDPMFKSA-N	322.330	3.365	10	20	DGCD	
O=C(O)[C@H](CNCc1ccc(Cl)cc1O)C1CCCCC1	1601653961	UXBKSGVMYZYDFY-CQSZACIVSA-N	311.809	3.416	10	20	DGCD	
CCCCCC[C@@](C)(NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776780019	GCZHLNVJIXRAGI-MRXNPFEDSA-N	324.377	3.204	10	20	DGCD	
CCCC[C@H](COC)NC(=O)N(C)Cc1ccc(N(C)C)cc1	77795583	MQGBLHQNYZRRPX-MRXNPFEDSA-N	321.465	3.099	10	20	DGCD	
CC[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1	90178141	BHBJBERRFMVIRM-RDJZCZTQSA-N	317.477	3.193	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3ccncc3)cc2)CC1	108295695	RYTWMAHBAHGJGF-UHFFFAOYSA-N	309.413	3.248	10	20	DGCD	
CN(CCOCC1CC1)Cc1cc(C(C)(C)C)cc(O)c1O	120435421	SHQGNCOEJFDHHE-UHFFFAOYSA-N	307.434	3.254	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1F	156921006	CLGDDHSDFKVEND-HOCLYGCPSA-N	319.424	3.366	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C)C(=O)OC(C)(C)C)c(O)c1	158031527	HGOUOFYYMWMVAV-LBPRGKRZSA-N	309.406	3.001	10	20	DGCD	
NC(=O)CSc1ccccc1NCc1cccc(Cl)c1O	158055811	QQBNOYGQYJIGEQ-UHFFFAOYSA-N	322.817	3.235	10	20	DGCD	
Cc1cc(NC(=O)CSc2ncc(C(C)(C)C)s2)on1	164180122	IZGLZXZWERDAPC-UHFFFAOYSA-N	311.432	3.468	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2C[C@H](C)Oc3cc(F)ccc32)s1	173514812	TZLSYPDHNCXAKY-RWCYGVJQSA-N	318.373	3.418	10	20	DGCD	
Cc1cc(C(=O)N(C)C[C@@H](C)O)c(C)n1-c1cccc(Cl)c1	177431568	KKZXNJWPELHZOU-GFCCVEGCSA-N	320.820	3.200	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)CCO)cc1	177752202	VYJLEMPJDCFRJX-UHFFFAOYSA-N	314.429	3.233	10	20	DGCD	
Cc1cccc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1O	179672676	SMBISOHDYMEWCB-UHFFFAOYSA-N	320.433	3.143	10	20	DGCD	
CCCc1csc(NC(=O)NCc2cc(OC)ccc2O)n1	180631236	JWMLXENLLJSDCP-UHFFFAOYSA-N	321.402	3.132	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1c(F)cc([N+](=O)[O-])cc1F	184148014	ITXKUIQUFLCKBQ-QMMMGPOBSA-N	324.283	3.327	10	20	DGCD	
Oc1ccc(F)cc1CNCCc1ccccc1OC(F)F	188989526	YJTYRYDPEITLJU-UHFFFAOYSA-N	311.303	3.465	10	20	DGCD	
Cc1cccc(C[C@@H](CO)NCc2cccc(Cl)c2O)c1	191683802	OLYXUPPLRAWTGK-HNNXBMFYSA-N	305.805	3.047	10	20	DGCD	
CCCNC(=O)c1cccc(NCc2cc(OC)ccc2O)c1	236890012	HGNIAKVMZIDAJI-UHFFFAOYSA-N	314.385	3.153	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C	268821793	HVNMKAAFBPTHST-KRWDZBQOSA-N	308.441	3.311	10	20	DGCD	
CC1CCN(c2ccc(CNc3ncc(F)cn3)cc2)CC1	269502840	QNFVQAMHGJNXLN-UHFFFAOYSA-N	300.381	3.464	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NOC1CCCC1	271735563	OFSZAXIJNRVQBM-UHFFFAOYSA-N	305.422	3.158	10	20	DGCD	
CC(C)OCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	272920133	ILJUKZPBQVKDCI-UHFFFAOYSA-N	318.461	3.449	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H](CO)Cc2ccc(F)cc2)c(O)c1C	273355760	CNMDATWAIXVIRY-RHSMWYFYSA-N	317.404	3.402	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc2nccn2c1	282596636	XPAOGYVHLNGZIU-UHFFFAOYSA-N	323.396	3.482	10	20	DGCD	
CN(C)c1ccc(CNCC2=CCCOC2)c(C(F)(F)F)c1	288547728	XKLXOCKOZYMEFB-UHFFFAOYSA-N	314.351	3.208	10	20	DGCD	
CC[C@H](C)n1ncc(C(=O)NCc2ccc(N)cc2)c1C1CC1	296818492	AKJHEGUROZQILN-LBPRGKRZSA-N	312.417	3.244	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCc2ccsc2)cc1F	299327312	KUNMZUIPWIGPJI-UHFFFAOYSA-N	306.406	3.202	10	20	DGCD	
CN(Cc1cccs1)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	314385625	UZTZMXUVBSCVCJ-ALCCZGGFSA-N	318.354	3.391	10	20	DGCD	
CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1	588404315	JKSDBQLPTQDXRI-LUAWRHEFSA-N	311.381	3.205	10	20	DGCD	
COc1ccc(N(CCOC[C@H]2CCCO2)CC(C)C)cc1	741244563	GUOMNFSSYAENPJ-GOSISDBHSA-N	307.434	3.353	10	20	DGCD	
CC(C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	744451758	VTPYGEGZYOPXNQ-INIZCTEOSA-N	303.450	3.330	10	20	DGCD	
c1cc2ncnc(NCCCSc3nccs3)c2cn1	752634792	JKXPPZCACDOETI-UHFFFAOYSA-N	303.416	3.076	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCN2CCc3ccccc32)c1	756482937	LJEUHNRUZMEHBN-CQSZACIVSA-N	312.413	3.114	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1ccccc1)c1cc(F)cc(F)c1O	756571685	IYGPHZSLOPCROJ-PIGZYNQJSA-N	307.340	3.229	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccc2c(c1)CCO2	765657511	LNYIFYZMJZPHHC-UHFFFAOYSA-N	310.397	3.087	10	20	DGCD	
CN1CCN(c2ccc(CN[C@@H]3CCC(C)(C)C3)cc2)CC1	771866840	BVLHVLVGBKYIMO-QGZVFWFLSA-N	301.478	3.107	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2n[nH]cc2c1	775412430	XZOVVNBQMCJECH-CYBMUJFWSA-N	322.412	3.428	10	20	DGCD	
CCC1=C(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCO1	790230591	KNPGOILLOLBWCU-UHFFFAOYSA-N	302.418	3.186	10	20	DGCD	
COC(=O)CCC(C)(C)NCc1c(O)ccc(Cl)c1F	792175410	TWSXVZLSWUMQMO-UHFFFAOYSA-N	303.761	3.006	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cccc(F)c2C)c(O)c1	797632854	OPLIWEHOQLBVSQ-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](OCCOC)C2)cc1	802651838	DCZVXUIRTBZHIH-IBGZPJMESA-N	320.477	3.160	10	20	DGCD	
Cc1cnn(C)c1CN1CCCc2cc(OC(F)F)ccc21	809640105	UBWBZMRTXRWLAC-UHFFFAOYSA-N	307.344	3.283	10	20	DGCD	
COc1ccc(N2CCC(NC[C@](C)(OC)C3CC3)CC2)cc1	812735059	VKYNVLFKUMXWPV-IBGZPJMESA-N	318.461	3.069	10	20	DGCD	
CCOc1ccc(CNC[C@H](CO)C2CCCCC2)c(O)c1	815150784	OKYCLVPDJNEJGM-MRXNPFEDSA-N	307.434	3.069	10	20	DGCD	
Cc1cnn([C@@H]2CCN(Cc3ccc4ccccc4c3O)C2)c1	816616156	POBUUBFAAPWSIJ-QGZVFWFLSA-N	307.397	3.497	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(C(C)(F)F)cc2)c(O)c1O	817467679	UDUNYDKGODRYQF-UHFFFAOYSA-N	321.323	3.448	10	20	DGCD	
C[C@H](N[C@@H]1CCN[C@H](C)C1)c1ccc(N2CCCCC2)cc1	817970853	GFQRNIGTUZQDSL-SOLBZPMBSA-N	301.478	3.468	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC23CCSCC3)c1	825736913	NCEFORWLWJFYQC-FZMZJTMJSA-N	321.442	3.111	10	20	DGCD	
COC(=O)c1cnc(Sc2nc(C(C)C)ns2)s1	828429471	WQEYCGGRTRODAQ-UHFFFAOYSA-N	301.418	3.056	10	20	DGCD	
Cc1cc(CN2CC[C@H]([C@H](C)O)C2)ccc1N1CCCCC1	828755379	MTLCKXBVQHLDIB-WMZOPIPTSA-N	302.462	3.188	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(CCCN[C@H]2CCc3cccc(O)c32)C1	834514393	VNTAHDLHLWMFMZ-INMHGKMJSA-N	302.462	3.337	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCO[C@H](c3ccnn3C)C2)c1	834898145	JKOUUZXRRGCFBT-IYOUNJFTSA-N	315.417	3.005	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1	835071389	YBRYMYKGXNVIGO-GOSISDBHSA-N	305.418	3.254	10	20	DGCD	
CC[C@@H](SC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839920083	KKOUUYJOKDPTEQ-XJKSGUPXSA-N	308.491	3.250	10	20	DGCD	
CO[C@](C)(C1CC1)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	840859947	QKKRFYJZESWWOB-MMPTUQATSA-N	308.378	3.155	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCCC12CCN(C)CC2	840940417	YTAMFHUOSDRMJB-UHFFFAOYSA-N	301.478	3.121	10	20	DGCD	
CC[C@H]1COC(C)(C)CN1Cc1c(O)ccc2ccncc12	844723318	SRRPAKCIIBFWKR-AWEZNQCLSA-N	300.402	3.330	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)CO1	844734870	ZYWGZEJXQRMJJA-IUODEOHRSA-N	307.434	3.395	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](C)COCC(F)(F)F)c1O	846142432	TWARYYXRBYMPFK-VHSXEESVSA-N	307.312	3.019	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([S@](C)=O)C2)c(O)c1C	850501897	QYVZXGHXCUMUHX-ZLOLFTAESA-N	309.475	3.349	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)CN2CCC(C)CC2)c1O	850543562	MHCVOBAGGMERJY-CABCVRRESA-N	306.450	3.172	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)C1CCCC1	850561054	HNZOKGAMBSUWAN-BZNIZROVSA-N	308.378	3.156	10	20	DGCD	
CC(C)(C)OCCCNC(=O)NCc1cc(Cl)ccc1O	852551098	LKSZLLMANAACEN-UHFFFAOYSA-N	314.813	3.050	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNc3cc(=O)n(C)cn3)c2C)c1	858800465	LCBROOXOCNVQNX-UHFFFAOYSA-N	322.412	3.108	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c1	862756905	AEGIGFLDISBZMS-PBHICJAKSA-N	305.418	3.158	10	20	DGCD	
Cc1ccc(N2CCCC2)c(C(=O)N(C)c2ccc(N)cc2)c1	877077310	CGDODBDJCBUKKZ-UHFFFAOYSA-N	309.413	3.454	10	20	DGCD	
COc1ccc(CNC2(C)Cc3ccccc3C2)c(O)c1OC	893222055	PNNXKCNOPWDFMI-UHFFFAOYSA-N	313.397	3.057	10	20	DGCD	
CCn1cnc2c1CCN(Cc1ccc(N3CCCCC3)cc1)C2	897336683	LCYXJFWMRXHEAB-UHFFFAOYSA-N	324.472	3.452	10	20	DGCD	
C[C@@H](NCc1ccc(CCO)cc1)c1ccc(Cl)cc1O	903402667	FMNNCKURXHDZQM-GFCCVEGCSA-N	305.805	3.431	10	20	DGCD	
CC[C@@H](NC(=O)c1cc(O)cs1)c1cc(F)ccc1OC	928779240	HMLFPEXCKBGTQH-GFCCVEGCSA-N	309.362	3.483	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(C)C	934706123	DNSHQHHOPTXHBO-MRXNPFEDSA-N	304.434	3.004	10	20	DGCD	
C/C=C(\C)C(=O)N1CCC[C@H](NCc2ccc(OC)c(C)c2)C1	998880476	IBLIMPBJNMTIHV-ANQFXYINSA-N	316.445	3.050	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H]1CC(=O)N(C(C)(C)C)C1	1116588404	FEAUNRQCHOJMJY-HZSPNIEDSA-N	316.445	3.238	10	20	DGCD	
Cn1cc(C[C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)cn1	1254019991	ZYAUFZWHLRXDGO-SFHVURJKSA-N	324.472	3.085	10	20	DGCD	
C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1ccc(N)cc1	1576036525	KFKDWBJMUGGDER-KRWDZBQOSA-N	304.821	3.006	10	20	DGCD	
Nc1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1	1580446809	HNKOQTFEZCZMTO-UHFFFAOYSA-N	312.251	3.203	10	20	DGCD	
C[C@H](N[C@@H]1C[C@H]1Cc1ccccc1)c1cc(C(=O)O)ccc1O	1593218482	GKFHVWOFOPTABV-XGWLTEMNSA-N	311.381	3.372	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C(=O)O)c1cccnc1	1605278290	XUARASYENLSNAL-KRWDZBQOSA-N	314.385	3.215	10	20	DGCD	
CC[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1	127535206	LXDZFXLLBAJKEL-CQSZACIVSA-N	303.333	3.047	10	20	DGCD	
Nc1ccc(CCNC(=O)C2(c3ccc(F)cc3)CCC2)cc1	152566364	VZWUIMZFLFAZOG-UHFFFAOYSA-N	312.388	3.189	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@H](c3nc(C)no3)C2)c1	164210105	FJBQXXDZWGXVNE-AWEZNQCLSA-N	301.390	3.080	10	20	DGCD	
Cc1cc(C(=O)OC[C@@H]2CCCCO2)c(C)n1-c1ccccn1	171374784	WUGHMRHQHQQFOR-HNNXBMFYSA-N	314.385	3.215	10	20	DGCD	
CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)c(O)c1O	179437676	GBKODMUZYDCLBA-UHFFFAOYSA-N	315.369	3.077	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2csc([C@@H](C)OC)n2)c1	182393063	XVPMLCAXGDENGD-WDEREUQCSA-N	322.430	3.416	10	20	DGCD	
C[C@H](NCCCNC(=O)c1cccc(F)c1)c1ccccc1O	183599595	CRVKZKAYJQVECV-ZDUSSCGKSA-N	316.376	3.002	10	20	DGCD	
O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(O)c1O	184772895	JVGJRBALDBMFHT-UHFFFAOYSA-N	311.259	3.047	10	20	DGCD	
Cc1ccc([C@H](C)NCCN2CCc3ccccc3C2)c(O)c1	184923862	WUIQHOAHGDSOBL-INIZCTEOSA-N	310.441	3.410	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@@H](C)c2cc(C)ccc2O)c1	185177242	NNPMCMSCINWFKU-AWEZNQCLSA-N	312.413	3.301	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCCCN(C)C)c1O	186913389	ZRSDTFJRLLLZSD-LLVKDONJSA-N	315.255	3.065	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCCCC[C@H]1c1ccncc1	188192691	IKLUVTZKNNDFIS-HNNXBMFYSA-N	312.369	3.250	10	20	DGCD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCCc1ccc(N)cc1	262573449	GRPYEHLLYMGRRW-WBAXXEDZSA-N	318.461	3.301	10	20	DGCD	
COc1cccc(CNC2(c3noc(C)n3)CCCCC2)c1O	263682288	MZJQEFPTRFMRGX-UHFFFAOYSA-N	317.389	3.041	10	20	DGCD	
COc1cccc(CNC(=O)C2(c3cccc(C)c3)CC2)c1O	264260411	JEEAMWBGLVQZKH-UHFFFAOYSA-N	311.381	3.057	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCOC1	280748947	COHXQKIXPNGEDD-DGCLKSJQSA-N	316.367	3.286	10	20	DGCD	
OC[C@@]1(NCc2cccc(Cl)c2O)CCCc2ccccc21	282119364	AQPHAUNQUDQVRU-SFHVURJKSA-N	317.816	3.359	10	20	DGCD	
COCC(C)(C)N(C)Cc1cc(Br)cc(C)c1O	311120119	UGLHPWNZUICFIT-UHFFFAOYSA-N	316.239	3.320	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@H]2CCC[C@H](C1)C2	369732048	MICTXJPHTLRYIE-RDBSUJKOSA-N	317.429	3.361	10	20	DGCD	
CCOc1ccc(O)c(CN2CCOC[C@@H]2c2ccccc2)c1	378344317	ZPLBVHKCNHQCNV-GOSISDBHSA-N	313.397	3.364	10	20	DGCD	
Cc1c(CNC(=O)N2CCSC[C@@H]2C)n(C)c2ccccc12	472236887	CEDBEDDSNVFXOP-LBPRGKRZSA-N	317.458	3.134	10	20	DGCD	
COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(Cl)c1	730959873	ZBPFDFORVUKCNY-UHFFFAOYSA-N	318.804	3.345	10	20	DGCD	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(O)cs2)c(F)c1	732353499	RLKBYVJLRFFNLI-SECBINFHSA-N	323.345	3.085	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CC=CCC1	745780284	GYZJFOKJGXVLKN-AWEZNQCLSA-N	314.429	3.427	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1occc1C(=O)OC	750874711	INIYNHBHFMPCHS-UHFFFAOYSA-N	303.358	3.184	10	20	DGCD	
CC1CCN(CCN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)CC1	756412944	WMNGUPHMIWKGCM-DZGCQCFKSA-N	306.425	3.401	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756415884	LTNUOLDRJOCPGU-OCCSQVGLSA-N	322.424	3.318	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	756415885	LTNUOLDRJOCPGU-TZMCWYRMSA-N	322.424	3.318	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC2(O)CCC2)cc1	760075974	MCYACTPGZQLLTH-UHFFFAOYSA-N	312.413	3.081	10	20	DGCD	
COc1ccc(CNC(=S)Nc2cc(C)cc(C)c2)nc1	766512633	QTALSTCSAAXZMZ-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
CC/C=C/CCN(CC(=O)OC)Cc1cc(Cl)ccc1O	767325765	XIDSYUDKDUAZNR-SNAWJCMRSA-N	311.809	3.377	10	20	DGCD	
Oc1cc2c(cc1CN1CCC(C3CCCC3)CC1)[C@@H](O)CO2	768466693	UUQYZIKDJNUJIV-SFHVURJKSA-N	317.429	3.220	10	20	DGCD	
COc1ccc(N(C)Cc2ccc3c(c2)nnn3C)cc1Cl	768530699	PICZOTILKFVCCG-UHFFFAOYSA-N	316.792	3.267	10	20	DGCD	
CO[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1	772992774	AOTKCCPVLZAKKV-RDTXWAMCSA-N	312.413	3.318	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1C1CC1	773747625	CEHDOTKSBFVNIE-SNVBAGLBSA-N	317.410	3.398	10	20	DGCD	
CC(C)C[C@H](C)N(C)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775837457	SRCBKJJVHOJDGK-JKSUJKDBSA-N	319.493	3.296	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCc2cc[nH]n2)c1O	779025698	YUCRZGMXNJFURJ-SECBINFHSA-N	310.195	3.037	10	20	DGCD	
C[C@H](NCC(C)(C)CN1CCCC1)c1cc(F)cc(F)c1O	790749128	CUOZHEIQSXJFHJ-LBPRGKRZSA-N	312.404	3.443	10	20	DGCD	
Cc1ccn2cc(CNCc3c(O)ccc(Cl)c3F)nc2c1	790959995	QZQYTSLOGNOAJV-UHFFFAOYSA-N	319.767	3.431	10	20	DGCD	
COc1ccc(CNC(=O)CCCc2ccsc2)c(O)c1	794379506	OAJGZYBFIXKVDX-UHFFFAOYSA-N	305.399	3.101	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)c2c(F)cncc2F)c(O)c1	796527664	WPYOKEWNVXCAAH-JTQLQIEISA-N	308.328	3.315	10	20	DGCD	
C[C@@H](NC[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1O	805747637	DPHJJQONTOSEJB-DOMZBBRYSA-N	305.805	3.300	10	20	DGCD	
CCCN(CCN1CCCCC1)Cc1cccc(OCC)c1O	809704942	JGKZDLMKHUVNAE-UHFFFAOYSA-N	320.477	3.489	10	20	DGCD	
CN1CC[C@H]2[C@H](CCCN2Cc2cc(Cl)cc(F)c2O)C1	809767722	SBDLNVKUHMTCTE-ABAIWWIYSA-N	312.816	3.101	10	20	DGCD	
CC[C@@]1(CNCc2cc(F)ccc2O)OCCc2ccccc21	811509935	MQDYSFMITJQNOG-IBGZPJMESA-N	315.388	3.499	10	20	DGCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NC1CCNCC1	817937537	XLXOFIIFIBFESK-LJQANCHMSA-N	310.441	3.408	10	20	DGCD	
C[C@@H](N)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	817994002	VVGBFOKPGTXBRZ-CQSZACIVSA-N	311.429	3.045	10	20	DGCD	
Cc1ccccc1C1(C(=O)NCCc2ccc(N)cc2)CCC1	818545024	BFDYZNUXVNWTMD-UHFFFAOYSA-N	308.425	3.358	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)NCc1cccc(Cl)c1O	824555600	VNMADCYCXDCQSM-JTQLQIEISA-N	311.731	3.493	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(C)c3c2CCC3)c1	825839760	OICPSDJATXMCFP-UHFFFAOYSA-N	311.381	3.128	10	20	DGCD	
COCc1nc(CNCc2cc(Cl)c(C)cc2O)cs1	825949227	REEYPXNDVIQHEN-UHFFFAOYSA-N	312.822	3.247	10	20	DGCD	
CC[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(C)cc1O	834828373	SINYZIFLFYPPSS-WMZOPIPTSA-N	317.404	3.484	10	20	DGCD	
C[C@H]1C[C@H](NCc2nn(C)cc2Cl)c2c(O)ccc(F)c21	834882140	GAQLLRLDYPISOK-KWQFWETISA-N	309.772	3.256	10	20	DGCD	
COC[C@@]1(C)CCN(Cc2c(O)ccc3ccc(OC)cc23)C1	840105953	HAKLUFXLEMRKKR-IBGZPJMESA-N	315.413	3.412	10	20	DGCD	
CC[C@H](CNC(=O)NCc1ccccc1O)CC(F)(F)F	840277053	QIVRWQLYUQLISA-JTQLQIEISA-N	304.312	3.170	10	20	DGCD	
CC1(CNCc2ccc(N3CCCCC3)cc2)CCNCC1	841054877	PKRNOMJNMSYUKM-UHFFFAOYSA-N	301.478	3.156	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](CC(C)C)OC)cc1	841065915	UYYJYPXFXUQEIF-KRWDZBQOSA-N	306.450	3.210	10	20	DGCD	
C[C@@H](CCc1ccccc1)NC(=O)NCCc1ccc(N)cc1	841613369	ZRYYASVSUFGRBO-HNNXBMFYSA-N	311.429	3.132	10	20	DGCD	
CCc1onc(C)c1NC(=O)NCc1cc(Cl)ccc1O	844585520	BZDXFTRMJDKUBZ-UHFFFAOYSA-N	309.753	3.226	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccccc2N(C)C)c1O	846154374	LHBOPAHBQDCAIJ-ZDUSSCGKSA-N	300.402	3.318	10	20	DGCD	
CCc1cccc2c(CC(=O)NCCc3ccc(N)cc3)c[nH]c12	846664748	BWEWFRZVNYTGIB-UHFFFAOYSA-N	321.424	3.214	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CCC[C@H]([S@@](C)=O)C2)c(O)c1	850501068	JPOJFMUOBOFHGD-TYTKBFJVSA-N	309.475	3.349	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC(C)(c3ccccc3)C2)cc1	856832962	WENYHICVKYUQNL-UHFFFAOYSA-N	323.440	3.236	10	20	DGCD	
C[C@H](NCc1cccnc1O)c1cccc(C(F)(F)F)c1O	858562603	FMUASCMVMRNBML-VIFPVBQESA-N	312.291	3.362	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1	860978524	MXWZHZITVHLSND-LBPRGKRZSA-N	314.389	3.190	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN[C@H]2C[C@@H](CO)C2)cc1	865663768	YQHGVOYCWJKSRP-IYBDPMFKSA-N	316.470	3.245	10	20	DGCD	
Cc1ccc([C@@H](C)NCCn2ccc(C(F)(F)F)n2)c(O)c1	872108807	DTDPDGJTASNEPG-LLVKDONJSA-N	313.323	3.267	10	20	DGCD	
Cc1cc(N(C)C)ccc1[C@@H]1NC(C)(C)C(=O)N1CC(C)(C)C	877856513	DFUZHXMGCJSRMC-MRXNPFEDSA-N	317.477	3.316	10	20	DGCD	
C=C/C=C/CCNCc1cc(Br)cc(OC)c1O	883261316	YGGJXTPXRCAYIM-SNAWJCMRSA-N	312.207	3.385	10	20	DGCD	
CCC[C@H](CC)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	886749372	RDVPTILMVFZGJX-KRWDZBQOSA-N	317.477	3.057	10	20	DGCD	
COc1ccc(CN2CC[C@@H](C)C3(CCC3)C2)c(O)c1OC	893438329	ZLFXYBUVCJSZGI-CYBMUJFWSA-N	305.418	3.422	10	20	DGCD	
COc1cc(N(C)Cc2ccc(O)c(F)c2)cc(OC)c1OC	893461692	PHUIAWUBLWRTDG-UHFFFAOYSA-N	321.348	3.194	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1cnccn1	908045753	SIKCCUJFGKUTAO-AWEZNQCLSA-N	313.401	3.115	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(-n2cnnc2)c1	924899469	GFYQOZQBPNQUNA-AWEZNQCLSA-N	320.396	3.053	10	20	DGCD	
Nc1ccc(CCNC(=O)CCCCc2cccc(O)c2)cc1	1121810218	GIEZMBIEVTUFAP-UHFFFAOYSA-N	312.413	3.046	10	20	DGCD	
C[C@H](CC(=O)OC(C)(C)C)NCc1c(O)ccc(Cl)c1F	1326255658	DZSKPXXGUGWJET-SECBINFHSA-N	317.788	3.395	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1c(Cl)ccc2nonc12	1329517143	AJGMMOFCSPYVAX-SKDRFNHKSA-N	323.780	3.410	10	20	DGCD	
Cc1cccc(CN(C)c2nnc(-c3sccc3O)n2C)c1	1339574179	RQCIHALXDJHLFA-UHFFFAOYSA-N	314.414	3.194	10	20	DGCD	
O=C(O)[C@H](CNCc1ccc2c(c1)CCCO2)C1CCCCC1	1601653640	QLURAYJBZUXADH-QGZVFWFLSA-N	317.429	3.382	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc2c(c1)OC(=O)C[C@H]2C	1608039236	PQBVCBDCDXXUCD-SECBINFHSA-N	316.309	3.278	10	20	DGCD	
CC[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C	104316178	WVOASFAJPJJNEF-KRWDZBQOSA-N	318.461	3.212	10	20	DGCD	
CN(CC1CCC1)C(=O)NCc1ccc2c(c1)CCCN2C	111845462	JMZNHWPXQHHPII-UHFFFAOYSA-N	301.434	3.011	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc2nc(S)oc2c1	118775208	OFFLOHLLOQNUBO-UHFFFAOYSA-N	314.366	3.094	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@H]2CC[C@H](C)O2)cc1	175529111	AIOXMBSMLLRUGN-MAUKXSAKSA-N	318.461	3.497	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1ccsc1)c1ccc(F)c(F)c1O	187732086	PCCUHWDRGKKCFL-VFZGTOFNSA-N	313.369	3.290	10	20	DGCD	
CC(C)(C)OC(=O)N1CCC[C@H](CNCc2ccccc2O)C1	227444807	ZLSNWUXERQZLIN-CQSZACIVSA-N	320.433	3.129	10	20	DGCD	
CC[C@@H](CNCc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C	227713276	XOFWIHNKINANSY-HNNXBMFYSA-N	320.433	3.014	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)cc(Cl)c1O)Cn1ccnc1	237355897	DKAKBZKBGUAUEN-JTQLQIEISA-N	314.216	3.321	10	20	DGCD	
C[C@@H](c1cccnc1)N1CCN(Cc2ccc(N(C)C)cc2)CC1	93413076	VJQVJWPHKKCARB-KRWDZBQOSA-N	324.472	3.026	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1	90795444	WGTBAGIQGSFAES-FOIQADDNSA-N	310.441	3.237	10	20	DGCD	
O[C@]1(C2CC2)CCN(Cc2ccc(N3CCCCC3)cc2)C1	369682064	BVGNQGLGCOIALQ-LJQANCHMSA-N	300.446	3.024	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CN(C)Cc3ccccc32)c1O	361171393	UHPWUVRWJLPEMY-QGZVFWFLSA-N	312.413	3.067	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccccc2Cn2cncn2)c(O)c1	273376119	HIXWYZRBSDWBMR-HNNXBMFYSA-N	322.412	3.191	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)Cc2ncon2)c1	272234107	MITCFKJSXQJNJC-UHFFFAOYSA-N	324.384	3.058	10	20	DGCD	
C[C@H](NCc1cn2c(n1)CCCC2)c1ccc(F)c(F)c1O	276957873	RLDNQDPPNULZJJ-JTQLQIEISA-N	307.344	3.054	10	20	DGCD	
C[C@H](NCc1nccn1C)c1ccc(Cl)c(Cl)c1O	273577876	MBKCIQGEDYOVHM-QMMMGPOBSA-N	300.189	3.283	10	20	DGCD	
Cc1n[nH]cc1C1CCN(Cc2cc(Cl)ccc2O)CC1	375265798	CLCDTULGRRZHCK-UHFFFAOYSA-N	305.809	3.457	10	20	DGCD	
CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2ccccc2O)C1	802654632	LINYREBCODODSX-SFHVURJKSA-N	320.433	3.129	10	20	DGCD	
COc1cccc(CN2CCCN3c4ccccc4C[C@@H]3C2)c1O	291655997	UYOPLLQODPTOEU-QGZVFWFLSA-N	324.424	3.038	10	20	DGCD	
COC(=O)c1cc(C)nc(Sc2ncc(C(C)(C)C)s2)n1	804551668	OQWXTZATYFIUFD-UHFFFAOYSA-N	323.443	3.477	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](O)CNCc1ccc(N2CC=CC2)cc1	819096173	YIPJIADGTKYOGS-UWJYYQICSA-N	322.452	3.317	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])nc1	827783737	PILVIWMOSCDRJW-UHFFFAOYSA-N	300.362	3.082	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1C	839192155	LPJDZQAIUCTEMF-ZWKOTPCHSA-N	303.446	3.382	10	20	DGCD	
CC[C@H](NC[C@@H]1CCOC[C@@H]1OC)c1cc(Cl)ccc1O	834880523	IZQFNRMSBGQLOM-PJODQICGSA-N	313.825	3.138	10	20	DGCD	
C[C@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1O	841755557	JDQMVZJCEWUJBE-XHDPSFHLSA-N	323.795	3.439	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1[C@@H]1CCCOC1	843417992	YJFYDSZGKYXYKD-IEBWSBKVSA-N	302.462	3.452	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2CCCCN2)c(C(F)(F)F)c1	841033167	NZQAYIFWXNFMIX-ZDUSSCGKSA-N	315.383	3.003	10	20	DGCD	
C/C(=C/C(=O)NCc1ccc(N2CCOCC2)cc1)C(C)(C)C	742575205	ZTBXIXHWTRSPLS-SQFISAMPSA-N	316.445	3.132	10	20	DGCD	
CC(C)[C@H](CC(=O)O)NCc1ccc(N2CCCCC2)cc1	756363064	QAGYFLJOWZOEQZ-KRWDZBQOSA-N	304.434	3.266	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCC1(C)C	750298000	VGVVGZUXJCLMSO-INIZCTEOSA-N	303.450	3.439	10	20	DGCD	
CCOc1ccc(CNCc2c(OC)cccc2OC)c(O)c1	850355902	MSJRBSUMNDBCAM-UHFFFAOYSA-N	317.385	3.098	10	20	DGCD	
O=C(COC(=O)c1cccc(O)c1O)c1ccc2ccccc2c1	758557567	BRVRIYHMGOCMOM-UHFFFAOYSA-N	322.316	3.291	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCc2cccnc2Cl)cc1	854271486	JAOOBMQSEMWQOY-UHFFFAOYSA-N	317.820	3.050	10	20	DGCD	
CCC[C@@H](O)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	750097312	USWYQCLPYIBUPQ-GOSISDBHSA-N	318.461	3.186	10	20	DGCD	
COC[C@H](N[C@H]1CCc2cccc(O)c21)c1cccc(OC)c1	850512785	BACIKKPNOQVUCH-IRXDYDNUSA-N	313.397	3.365	10	20	DGCD	
CC[C@H](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1	852138472	OTYWIFITWICZLG-HNNXBMFYSA-N	301.434	3.298	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cccc(OCCF)c1	760076009	HOKSKSXVFIDWIG-UHFFFAOYSA-N	304.321	3.062	10	20	DGCD	
C[C@@H](NC(=O)c1cc(Cl)ncc1F)c1ccc(N(C)C)cc1	935463371	IOFXGNSCADXTGZ-SNVBAGLBSA-N	321.783	3.431	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC(=O)OC(C)(C)C)cc1	764821168	XSJRDIUSDMJKOT-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H]2C[C@@H]2C1	862220762	ZUKJRNLJRISYER-JKSUJKDBSA-N	322.408	3.389	10	20	DGCD	
Cc1cccc(O)c1CNCc1cc(Cl)c2c(c1)OCCO2	876903242	UIQDQHFAAYLXAE-UHFFFAOYSA-N	319.788	3.415	10	20	DGCD	
COCCCOc1ccc(CNCc2ccc(C)cc2O)cc1	877514333	KCKWZFDSESQFAR-UHFFFAOYSA-N	315.413	3.406	10	20	DGCD	
CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2ccccc2O)C[C@@H]1C	877755517	CZOWFVNGMCHQJQ-LJISPDSOSA-N	305.418	3.411	10	20	DGCD	
CCO[C@@H](C)c1noc(CN[C@H](C)c2ccc(N(C)C)cc2)n1	775832773	BOZMGXXTDFMTIV-OLZOCXBDSA-N	318.421	3.084	10	20	DGCD	
CCc1cnccc1[C@@H](C)NCc1cc(OC)c(OC)cc1O	776257605	YYYOYEGNWDDDAG-GFCCVEGCSA-N	316.401	3.218	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H]3[C@H](CCCN3C)C2)cc1	773766312	RPJPIWSXUTVAEO-IEBWSBKVSA-N	301.478	3.059	10	20	DGCD	
Cc1cc([C@H](C)NCc2ccc(N3CCSCC3)cc2)no1	788543342	UKLIUCCJMQEIQQ-AWEZNQCLSA-N	317.458	3.387	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2cccn(CC)c2=O)cc1	788606123	WGUFHSBRWNTWHJ-OAHLLOKOSA-N	313.445	3.175	10	20	DGCD	
Cc1nc(C(C)C)ncc1C(=O)NCc1cc(Cl)ccc1O	880539730	FHKMPCSMMHPSJO-UHFFFAOYSA-N	319.792	3.197	10	20	DGCD	
COC(=O)[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccsc1	788400637	MGKCEINKKODTQA-WBMJQRKESA-N	318.442	3.379	10	20	DGCD	
COCCOc1ccc(CN(C)Cc2ccc(N(C)C)cc2)o1	891400598	WXITZAQVJFUCTN-UHFFFAOYSA-N	318.417	3.003	10	20	DGCD	
CC(C)N(C)CCNCc1ccc(N(C)C)cc1C(F)(F)F	792951910	LHPSVBCMHGJIOY-UHFFFAOYSA-N	317.399	3.201	10	20	DGCD	
COc1ccc(CNCc2c[nH]nc2-c2cccc(C)c2)c(O)c1	793388588	GGJZIEUMWUTGKV-UHFFFAOYSA-N	323.396	3.389	10	20	DGCD	
COc1ccc(CNCCCC[C@@H](C)NC(=O)C(C)C)cc1C	1169236956	NMGHXLWMPZTWPN-MRXNPFEDSA-N	320.477	3.424	10	20	DGCD	
CC1CCC(OCC(=O)Nc2c(Cl)ccc3nonc23)CC1	1323484670	ZMWPTFBHEOROOP-UHFFFAOYSA-N	323.780	3.410	10	20	DGCD	
Nc1ccc(CNC(=O)N(CCc2ccccc2)C2CC2)cc1	1335724111	GUNMWYMYXZTAGH-UHFFFAOYSA-N	309.413	3.186	10	20	DGCD	
Nc1ccc(CNC(=O)N2CC[C@@H](C3CCCCC3)C2)cc1	1357792484	ZAMJUDGEWLWUNB-MRXNPFEDSA-N	301.434	3.381	10	20	DGCD	
Nc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)cc1	1356083538	RREHKXDSTPVBEY-UHFFFAOYSA-N	310.445	3.181	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1600808646	WTFRGMPSDHZFEH-DTWKUNHWSA-N	304.346	3.107	10	20	DGCD	
CCCN(Cc1cc(C(=O)O)oc1C)c1ccc(CN)cc1	1605317196	GUSIQLCBAAPNMT-UHFFFAOYSA-N	302.374	3.162	10	20	DGCD	
C[C@@H]1CCCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	1604730113	ICVXBFLDRHIULC-WAFBPQNNSA-N	304.346	3.319	10	20	DGCD	
C[C@@H](C(=O)O)N(C/C=C/c1ccc(N(C)C)cc1)C1CCC1	1589485671	BJZDHHDQLDTBPS-GJBLVYBDSA-N	302.418	3.093	10	20	DGCD	
CCN(C)c1ccc(CN[C@H]2CCC[C@@H](C(=O)O)C2)c(C)c1	1776856578	BCSVNEXIQXHCSS-ZBFHGGJFSA-N	304.434	3.184	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)c3cn[nH]c3C)CC2)cc1	154146588	LKXOGVGNDSYQDP-CYBMUJFWSA-N	314.433	3.046	10	20	DGCD	
CC[C@@H](C)N(C)Cc1cc(Br)cc(OC)c1O	154555512	RLCSJBAFRYONOW-SECBINFHSA-N	302.212	3.394	10	20	DGCD	
C[C@@H](N)[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	63191305	JOHDIZRBJDHLHW-RNCFNFMXSA-N	303.233	3.401	10	20	DGCD	
CCC[C@]1(NCc2ccc(Br)cc2O)CCOC1	691468395	MFQMJFWPVMOMRD-AWEZNQCLSA-N	314.223	3.204	10	20	DGCD	
O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1cccnc1	16441134	QMICZQHBCZSATN-JYRVWZFOSA-N	314.391	3.193	10	20	DGCD	
CCN(CC)c1ccc(CNCCOCC(F)(F)F)cc1	70167121	HLYRWKSIFBWVPU-UHFFFAOYSA-N	304.356	3.201	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H](Cc1ccccc1)C1CC1	76987826	DCEZDGJIKJTLLM-KRWDZBQOSA-N	310.397	3.213	10	20	DGCD	
Cc1ccc(CN(CCCO)c2ccc3c(c2)OCCO3)s1	103481468	XTODRSDESWQVGZ-UHFFFAOYSA-N	319.426	3.217	10	20	DGCD	
CSCCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	132595713	XGOVOPCCCAORNP-ZDUSSCGKSA-N	312.454	3.066	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1CCCC[C@H]1C(F)(F)F	133939243	FCYPPRPGBPHTRK-VXGBXAGGSA-N	301.308	3.377	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](O)c2ccc(Cl)c(F)c2)cc1	136156417	PXGULZWLZRBAFY-QGZVFWFLSA-N	322.811	3.368	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc2occc2[nH]1	154001974	JEHORYVCEMAHIK-UHFFFAOYSA-N	310.353	3.275	10	20	DGCD	
CC[C@H](NCCCNC(=O)c1occc1C)c1ccccc1O	156644252	NUVDVXIONGPLKO-HNNXBMFYSA-N	316.401	3.154	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc(C)cc(Cl)c2)c1	159764772	DTKXSJHVNGGBDK-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
CCO[C@@H](C)c1noc(COc2ccc(N3CCCC3)cc2)n1	178195217	QTWKMBSBPBIKDP-ZDUSSCGKSA-N	317.389	3.346	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](C)N2CCC(C)CC2)c1	185227466	CZFALPPDSJLXRN-HUUCEWRRSA-N	306.450	3.172	10	20	DGCD	
COc1cccc(CN2CCSC[C@@H]2c2nccs2)c1O	186645136	WBSAOZXLKGOWME-GFCCVEGCSA-N	322.455	3.147	10	20	DGCD	
CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1	189405260	UNHKTURJVCAMSN-HOTGVXAUSA-N	317.477	3.194	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCO[C@H]1C1CC1	230314936	OXYKFUXTDMGHRP-OCCSQVGLSA-N	302.201	3.356	10	20	DGCD	
CCOc1cc(NCc2cc(OC)ccc2O)ccc1OC	237063592	MWGABYICRBEJSI-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1nnc2n1CCCCC2	263905194	FQRUULGYAQPAMB-UHFFFAOYSA-N	314.433	3.122	10	20	DGCD	
Cc1cc([C@](C)(O)CNCc2cc(C)c(C)cc2O)c(C)o1	266137663	GEMKCHPUFVLXCZ-GOSISDBHSA-N	303.402	3.216	10	20	DGCD	
CCC1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCOCC1	273563879	IYOYMNBDQKWZFV-LBPRGKRZSA-N	308.378	3.158	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1c[nH]nc1C1CC1	282550069	SHMSQHUINYSOQB-UHFFFAOYSA-N	313.401	3.435	10	20	DGCD	
CCc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)s1	588403441	IZMQMPWSMCMXSJ-YWEYNIOJSA-N	303.383	3.051	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc2ncccc12	588403500	MFPJPPATALURHM-CLFYSBASSA-N	306.321	3.298	10	20	DGCD	
C[C@H](Cc1ccccn1)NCc1cccc(Br)c1O	694083187	WFVWSWDALLLSOM-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)sn1	749236101	PKDXFEPBIMTWIA-UHFFFAOYSA-N	316.430	3.156	10	20	DGCD	
C[C@H](NCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O	756463809	DJVCZBDLQJQTGT-NSHDSACASA-N	320.320	3.169	10	20	DGCD	
Cc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O	756638662	VQOUDIIREAYHGU-MEDUHNTESA-N	307.340	3.363	10	20	DGCD	
C[C@H](NCc1cnn(CC(F)(F)F)c1)c1cc(F)ccc1O	756661156	YSAVYESOIZPDKF-VIFPVBQESA-N	317.286	3.141	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2CCCc3c[nH]nc32)c2c(O)ccc(F)c21	756761906	NBMPYOQBMSOOOJ-OASPWFOLSA-N	301.365	3.470	10	20	DGCD	
CCc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)s1	758454432	LPZROGJLDOJAPO-UHFFFAOYSA-N	316.474	3.069	10	20	DGCD	
COc1ccc(N2CCC(NCCc3ccc(C)o3)CC2)cc1	764918817	FNWXPDZJKRJJAF-UHFFFAOYSA-N	314.429	3.398	10	20	DGCD	
Cc1cccc(CN2CCN(Cc3ccsc3)CC2)c1O	775647433	VKVYIISPURNSAT-UHFFFAOYSA-N	302.443	3.080	10	20	DGCD	
Cc1cccc(CN2CCN(C)[C@@H](Cc3ccccc3)C2)c1O	793619604	IHSBLLBHGXEQGJ-IBGZPJMESA-N	310.441	3.059	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)c1	800519786	VNNNTAZDOCPPBC-QWRGUYRKSA-N	313.344	3.404	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(C)C1)c1ccc(C(F)(F)F)cc1O	810215632	ISIHBVNEWHNGDW-WCQYABFASA-N	302.340	3.156	10	20	DGCD	
COCc1nc(CNCc2cc(Cl)cc(F)c2O)cs1	811513400	HPFMRNOTCCQAMZ-UHFFFAOYSA-N	316.785	3.077	10	20	DGCD	
COc1ccc2c(c1)CCCN2CN1C(=O)C(C)(C)[C@H]1C1CC1	811757292	CNNYLRNENJCSDS-QGZVFWFLSA-N	314.429	3.052	10	20	DGCD	
COc1cc(CN(C)Cc2ccc(N(C)C)c(C)c2)ccc1O	815036540	XSXGZNDMKLNUDI-UHFFFAOYSA-N	314.429	3.407	10	20	DGCD	
CC(=O)Nc1ccc(CNCc2cc(Cl)c(F)cc2O)cc1	816530994	CNXKCVGNXYWRCK-UHFFFAOYSA-N	322.767	3.433	10	20	DGCD	
CCSc1cccc(CNC(=O)c2cccc(O)c2O)c1	816983480	ZSPWGRUBDJUHKL-UHFFFAOYSA-N	303.383	3.140	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CC(CC)CC	819697004	LEBXJAJRWBZPHF-UHFFFAOYSA-N	321.417	3.110	10	20	DGCD	
CCc1c(C(F)(F)F)noc1NC(=O)Cc1ccc(N)cc1	831988108	LSWIARBQCMHWKB-UHFFFAOYSA-N	313.279	3.019	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@H](C)O1	838743660	YBEJLOLXAGUABM-GOEBONIOSA-N	320.433	3.271	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CN(C2CC2)C[C@@H]1C	840893872	NNWVPLKOMUJRQN-FTRWYGJKSA-N	315.505	3.064	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CO)[C@H](C)c1ccccc1	840934004	LTXDJMJKWIKGSL-UZLBHIALSA-N	312.457	3.315	10	20	DGCD	
CCN(CC)c1ccc(CNCCC[C@@H]2CCCN2)cc1F	841072316	ILFMEIMWCLYCQO-MRXNPFEDSA-N	307.457	3.294	10	20	DGCD	
CCC[C@H](CC)S(=O)(=O)Nc1ccc(O)cc1OCC	844665808	SCRKAHGJCLAEMC-LBPRGKRZSA-N	301.408	3.111	10	20	DGCD	
COc1ccc(N(C)CCc2ccccc2C(=O)O)c(OC)c1	846251753	OJMIOAYCUAYWLM-UHFFFAOYSA-N	315.369	3.081	10	20	DGCD	
CCc1cccc(CN2CCC(OC)(C(F)(F)F)CC2)c1O	848917200	CRYNNVBYVAUBJY-UHFFFAOYSA-N	317.351	3.498	10	20	DGCD	
COc1cc(CN[C@@]2(C)CCCOC2)c(O)c(C(C)(C)C)c1	850235650	AUWWLHGADURESS-SFHVURJKSA-N	307.434	3.357	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](OC)C2CCCC2)c1	850563607	ZIRCBTFFHKTVNL-SJKOYZFVSA-N	321.417	3.035	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H]3C=CCC3)cc2)CC1	852080892	HQNPFIUVWPPLBN-QGZVFWFLSA-N	313.445	3.441	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2CCCN3CCCC[C@H]23)cc1F	858185928	KGQFVGNTADDWDV-IAGOWNOFSA-N	323.431	3.137	10	20	DGCD	
COc1cc(OC)c(CNCc2cc(C)ccc2O)cc1F	858239776	TUAANRIGWRNYDS-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCOc2ccccc2C)c1	862759612	IOJWESXPIBKRJX-UHFFFAOYSA-N	313.397	3.484	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CCc2c(O)cccc21)c1ccccc1O	875314164	IYJSHOXRVKNHCE-ABAIWWIYSA-N	312.369	3.146	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(O)nc1	876511718	SZTRYCPNBYWNOD-UHFFFAOYSA-N	311.429	3.410	10	20	DGCD	
COCCOc1cc(NCc2c(C)cccc2O)ccc1OC	876822610	CWTQDKAVRRKQRL-UHFFFAOYSA-N	317.385	3.347	10	20	DGCD	
COc1cc(OC)c(OC)cc1NCc1ccc(C)cc1O	876869067	PDOYVMJUUACQHZ-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc2cncn12	1116660846	AEABWNDLWCMSSR-ZDUSSCGKSA-N	322.412	3.200	10	20	DGCD	
C[C@H](Cc1ccncc1)NCc1cc(F)c(N(C)C)cc1F	1118801329	OCSHNAKHKYIFCW-GFCCVEGCSA-N	305.372	3.147	10	20	DGCD	
CCCC(=O)NCCC1(CNCc2ccc(OC)c(C)c2)CC1	1163162383	REZDMEPPIBLGCJ-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
Cc1cc(CN2CCCC[C@]23CCCNC3)ccc1N(C)C	1235167491	JVNHCSGBNOLVBP-LJQANCHMSA-N	301.478	3.169	10	20	DGCD	
CN1Cc2c(NCc3ccc(N4CCCC4)cc3)cccc2C1=O	1327391795	AAOXXUXJTQFCRU-UHFFFAOYSA-N	321.424	3.485	10	20	DGCD	
Cc1ccc(CCCNC(=O)NCc2ccc(N)cc2)c(C)c1	1335677832	RYCMWWYYWVINJF-UHFFFAOYSA-N	311.429	3.318	10	20	DGCD	
C/C(=C/C(=O)O)CN(Cc1ccco1)Cc1ccccc1O	1588946567	TVUIKZXCMGMAGD-LCYFTJDESA-N	301.342	3.018	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccoc1C(=O)O	1591596401	AOVGLBFYYUNOBZ-UHFFFAOYSA-N	316.401	3.454	10	20	DGCD	
O=C(O)[C@H]1C[C@@H](NCc2ccc3c(c2)CCCO3)c2ccccc21	1594903415	UJSDNGIRLJVTSE-ZWKOTPCHSA-N	323.392	3.414	10	20	DGCD	
CCN(C)c1ccc(CN2CC3(CCC3)C[C@@H]2CC(=O)O)cc1	1776855495	BTMUNAIAORTOQS-KRWDZBQOSA-N	316.445	3.362	10	20	DGCD	
CCN1CCc2cc(CNC(C)(C)C[C@H](C)C(=O)O)ccc21	1776884761	RJXWIDMDWHBHLW-ZDUSSCGKSA-N	304.434	3.048	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(SC)cc2)c1	114544193	OXNSRZDLRHXNDK-UHFFFAOYSA-N	303.383	3.053	10	20	DGCD	
Cc1nc(COC(=O)c2ccc(-n3c(C)ccc3C)cc2)no1	302850223	MGIUNQLQFYFVIT-UHFFFAOYSA-N	311.341	3.143	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CC[C@@H](C)O1	175866909	KIDLWXXCYUKGCD-ZBFHGGJFSA-N	305.418	3.479	10	20	DGCD	
Cc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	65560698	IIMYUWQKYBVIKG-INIZCTEOSA-N	324.424	3.323	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(F)cc1F	183418019	UJPCFPZACJTXFG-JTQLQIEISA-N	321.323	3.045	10	20	DGCD	
COc1ccc(C(=O)NCc2ccc(O)c(O)c2)c2ccccc12	182521589	JXZLROVPHWQRJQ-UHFFFAOYSA-N	323.348	3.190	10	20	DGCD	
CC(C)[C@H]1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	317336484	FQALECBWGJGRKY-BPJJOFIESA-N	304.346	3.175	10	20	DGCD	
CCOC1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	193711370	OGGPWKPUQNCFGB-UHFFFAOYSA-N	307.434	3.396	10	20	DGCD	
C[C@H](CCc1ccco1)NC(=O)NCc1ccc(N(C)C)cc1	46072187	NJKLTHIIPQKWEO-CQSZACIVSA-N	315.417	3.166	10	20	DGCD	
Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1F	190918176	BDUNRUOAQILURJ-NSHDSACASA-N	318.348	3.298	10	20	DGCD	
COc1cc(Cl)cc(CN2CCSC[C@@H](C)C2)c1O	190845474	AOCDMXKRUGGYEM-JTQLQIEISA-N	301.839	3.239	10	20	DGCD	
COC1(CCNCc2cc(Br)ccc2O)CCC1	293041899	SKNIROGHPSMJFD-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
CCCNc1ccc(C#N)cc1NC(=O)c1cccc(O)c1O	193090664	QFGXQBSOLNHYMI-UHFFFAOYSA-N	311.341	3.044	10	20	DGCD	
C[C@H](NCc1cc(Br)ccc1O)c1ccccn1	227434244	QKXPRENHFVVHNL-JTQLQIEISA-N	307.191	3.401	10	20	DGCD	
Cc1cc(O)c(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)cc1C	93360166	POOBFNDAAOURME-CQSZACIVSA-N	322.449	3.354	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCCC[C@H]1Cc1ccccc1	279397081	WDLOBGRLJXSTDC-HNNXBMFYSA-N	311.381	3.335	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CSC[C@@H]3C)CC2)cc1	367705422	HAHDVBYEUZEGEY-SUMWQHHRSA-N	306.475	3.005	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H](CO)Cc2ccc(F)cc2)c(O)c1C	273355764	CNMDATWAIXVIRY-YOEHRIQHSA-N	317.404	3.402	10	20	DGCD	
CCN(C)C(=O)[C@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1O	278369207	BYUNYPIBLQJQHP-BDAKNGLRSA-N	319.232	3.216	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1	289946484	UPUBXWLFXFXOPS-LBPRGKRZSA-N	306.303	3.049	10	20	DGCD	
CCCCN(CC(=O)NC1CCCC1)Cc1ccccc1O	801597988	SCYYJWPAPVCCOM-UHFFFAOYSA-N	304.434	3.053	10	20	DGCD	
C[C@H](CCO)CCN[C@H](C)c1ccc(Br)cc1O	296631630	BKGKROMZOPLFJZ-WDEREUQCSA-N	316.239	3.214	10	20	DGCD	
CCOc1cccc(CNCC(C)(C)c2ccccn2)c1O	294736361	GSQQVKKJMIGMFM-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1F	817940446	GIRSGXAIQINSEX-SJCJKPOMSA-N	319.399	3.381	10	20	DGCD	
C[C@@H](NCC1CCNCC1)c1cc(Cl)c(Cl)cc1O	817942429	YMIWRRWAPKQARV-SECBINFHSA-N	303.233	3.349	10	20	DGCD	
COCCOC[C@@H]1CCN(Cc2ccc3ccccc3c2O)C1	816516380	CXNGSOKNJQPNPK-OAHLLOKOSA-N	315.413	3.030	10	20	DGCD	
CC[C@H](Cc1cccs1)NC[C@@H](N)c1ccc(N(C)C)cc1	817941118	JCZHDNYUFDHOLB-CRAIPNDOSA-N	317.502	3.425	10	20	DGCD	
O[C@H](CNCCCSc1nccs1)c1ccccc1F	819064269	VLXDELROSFBWGB-CYBMUJFWSA-N	312.435	3.088	10	20	DGCD	
CCc1nnc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)s1	810259061	AJHLZOZAJJUFKQ-WCBMZHEXSA-N	307.394	3.283	10	20	DGCD	
CCOCc1cc(CN[C@@H]2C[C@H](C)n3ccnc32)ccc1OC	825016716	GOADLZWJXKLTIU-XJKSGUPXSA-N	315.417	3.224	10	20	DGCD	
C[C@@H](O)CN(Cc1cc(Cl)cc(Cl)c1O)CC(F)F	825098783	OKFBPVWNHBDXBC-SSDOTTSWSA-N	314.159	3.147	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C\c2ccc(C)nc2)cn1	823430669	RJMFAHFEVKXOEU-HJWRWDBZSA-N	312.417	3.309	10	20	DGCD	
Cc1cc(Br)c(O)c(CNCc2ccnc(C)c2)c1	824596796	LLPHQMPMGPQMNN-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
CCC(C)(C)OCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	834916354	WJTSOLBXWPOSCZ-LBPRGKRZSA-N	309.406	3.035	10	20	DGCD	
CC(C)(C)C[C@@H](CC(=O)O)NCc1cc(F)cc(F)c1O	904010623	KOAXVTUCMOOXKT-LLVKDONJSA-N	301.333	3.040	10	20	DGCD	
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccccc1O	733360287	GWSMJDXKZCYKMN-JTQLQIEISA-N	323.751	3.268	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)C(C)(F)F	839920668	COTBCDQIYVUGMH-QWHCGFSZSA-N	312.404	3.400	10	20	DGCD	
O=C(NCc1csc(Br)c1)c1cc(O)cs1	732271407	WCLSDJFXGJPSBI-UHFFFAOYSA-N	318.217	3.208	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COC1CCCC1	916046799	FNRHYKLXHIJOQW-UHFFFAOYSA-N	318.461	3.449	10	20	DGCD	
COc1ccc(N2CCC(Nc3ccc(F)cn3)CC2)cc1	741751081	QFESNDLXDAWCQD-UHFFFAOYSA-N	301.365	3.310	10	20	DGCD	
Cc1ncc(CN[C@H](C)c2cc(Br)ccc2O)o1	840794895	RMJIGGMBBDZWDD-MRVPVSSYSA-N	311.179	3.302	10	20	DGCD	
C[C@@H](CCNC(=O)c1cc(O)cs1)N(C)Cc1ccccc1	746693130	BPJPYJWYFSFJIT-ZDUSSCGKSA-N	318.442	3.094	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)s2)c(OC)c1	846251637	MFSYMTDJRNLKTM-UHFFFAOYSA-N	307.371	3.100	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(C(=O)O)s1	911324108	SWGMYJBAOLMWEH-UHFFFAOYSA-N	319.382	3.204	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(OCCCO)cc1	840945866	DCRIBXKPLNJCPF-UHFFFAOYSA-N	314.429	3.434	10	20	DGCD	
COC(C)(C)C[C@H](C)NC(=O)NCc1cc(Cl)ccc1O	845012426	CZNVHJJHAFOOKI-JTQLQIEISA-N	314.813	3.048	10	20	DGCD	
Nc1ccc(Cc2nc(-c3cc(OC4CCC4)ccn3)no2)cc1	843194899	XQUHRJFMQUDBEQ-UHFFFAOYSA-N	322.368	3.236	10	20	DGCD	
C[C@H](Cc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O	921076529	ZHQYXJUBJCWAOD-CYBMUJFWSA-N	301.361	3.369	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1N1CCC(NCCc2ccc(N)cc2)CC1	841033881	CSEZILQTKKIYCD-UZLBHIALSA-N	315.505	3.444	10	20	DGCD	
CC1(C)OCC(NCc2cc(-c3ccccc3)ccc2O)CO1	758012232	NDVNDBYZYRFTQG-UHFFFAOYSA-N	313.397	3.300	10	20	DGCD	
CCn1nccc1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	856479763	SQINGMLBKZSSMW-UHFFFAOYSA-N	322.412	3.241	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1cnc(F)cn1	853096244	UIRHGJLYYFEZRY-UHFFFAOYSA-N	300.381	3.242	10	20	DGCD	
CCC(CC)[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)N(C)C	756398395	DPECSNKTHWFWJP-LRDDRELGSA-N	323.437	3.317	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[C@H](N)C1	852883568	ZPKIFIXDNUUTCP-ZTFGCOKTSA-N	324.424	3.219	10	20	DGCD	
CC(C)CO[C@H]1CCN(Cc2c(O)ccc3ccncc23)C1	759143296	FRQFZPGOZCFDKH-HNNXBMFYSA-N	300.402	3.187	10	20	DGCD	
O=S(=O)(/C=C/c1ccccc1Cl)NCc1ccccc1O	751151686	UKRHHVFZIVFNLU-MDZDMXLPSA-N	323.801	3.136	10	20	DGCD	
CCCC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	760384147	LCAMKDZCQFNXBD-UHFFFAOYSA-N	318.486	3.436	10	20	DGCD	
C[C@H](NC[C@H]1COCCO1)c1ccc(N2CCCCCC2)cc1	765248649	AIKSKBNOPUSBRS-LPHOPBHVSA-N	318.461	3.133	10	20	DGCD	
C[C@@H](NC(=O)Cc1c[nH]c2cnccc12)c1ccc(N(C)C)cc1	1117718646	WDJPGWQRDYUKLG-CYBMUJFWSA-N	322.412	3.049	10	20	DGCD	
COC(=O)CN(Cc1cc(Cl)cc(F)c1O)C1CCCC1	775726847	YPNHSONBZVDYFX-UHFFFAOYSA-N	315.772	3.102	10	20	DGCD	
C[C@H]1CCC[C@@H](C)N1C(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775829944	BEMNUBYAXSGBMQ-OWCLPIDISA-N	317.477	3.193	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1occ2c1CCC2	795754252	VWOBDWLGTDUWOI-UHFFFAOYSA-N	312.413	3.497	10	20	DGCD	
COc1ccc(N(Cc2nc(C(C)C)n[nH]2)C(C)C)cc1F	794413438	MFQPKDMHKGFJIO-UHFFFAOYSA-N	306.385	3.491	10	20	DGCD	
CCCCCC(=O)NCCC1=CCN(c2cc(C)ncn2)CC1	1089803331	JPHRKBGEHVADOX-UHFFFAOYSA-N	316.449	3.008	10	20	DGCD	
C[C@@H](Cc1ccncc1)NCc1cc(Br)ccc1O	749293680	CSEOLGZKGCWINN-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cc(Br)cc(F)c2O)CS1	715768167	CACVMFSXYQUIKQ-OIBJUYFYSA-N	320.227	3.277	10	20	DGCD	
CC[C@H](NCc1c(Br)cnn1C)c1ccccc1O	693430661	IOFXISSBYRUJKG-LBPRGKRZSA-N	324.222	3.129	10	20	DGCD	
C[C@H](NCc1cnn2ccccc12)c1cc(F)cc(F)c1O	1257442854	BKORBMIMISBTTQ-JTQLQIEISA-N	303.312	3.169	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cnc(C)s2)c(O)c1OC	1335549881	HCZJGPDWEFTCDB-SECBINFHSA-N	308.403	3.025	10	20	DGCD	
CC(C)[C@H](C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1	1548791609	GWVLMBFZNMCHCQ-INIZCTEOSA-N	317.360	3.293	10	20	DGCD	
CN(C[C@@]1(C)CC1(Cl)Cl)c1ccc(OCC(=O)O)cc1	1598443054	ZTQYSFYTJHVJQQ-CYBMUJFWSA-N	318.200	3.170	10	20	DGCD	
COc1ccc(N(CC(=O)NCC2CC2)Cc2ccccc2)cc1	28244136	PUBWKDAGEUARHR-UHFFFAOYSA-N	324.424	3.228	10	20	DGCD	
CC[C@@H](NC[C@@H](C)N(C)C)c1cc(Br)ccc1O	38088594	PITVOJDKQATGSC-ZWNOBZJWSA-N	315.255	3.146	10	20	DGCD	
CN1CCCc2cc(CNc3nccc(C(F)(F)F)n3)ccc21	58555568	QZPQKSQTFZUZKV-UHFFFAOYSA-N	322.334	3.490	10	20	DGCD	
C[C@@H](N)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	70171692	GFXMCEMVCDTXPZ-NXEZZACHSA-N	303.233	3.258	10	20	DGCD	
COc1ccc(N2CCN(c3cccc(Cl)n3)CC2)cc1	110546966	UVPFZRXPNXFJFF-UHFFFAOYSA-N	303.793	3.070	10	20	DGCD	
C[C@@H](c1ccc(F)cc1)N(C)Cc1cc2c(cc1O)OCO2	122188798	CILOFOQQKJJCII-NSHDSACASA-N	303.333	3.453	10	20	DGCD	
Cc1ocnc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	128345977	OOJGHNDNXRTDCD-UHFFFAOYSA-N	313.401	3.246	10	20	DGCD	
C[C@H](Cc1cccc(F)c1)C(=O)NCc1ccc(N(C)C)cc1	147042266	GNJAIQYLVUQYEH-CQSZACIVSA-N	314.404	3.387	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)C2CCN(C)CC2)cc1F	158719352	KCLUTGICVSMSSI-OAHLLOKOSA-N	321.484	3.492	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2cccc(OC)c2O)C1(CC)CC	236892242	XKQAPYKVJUGZID-JKSUJKDBSA-N	307.434	3.474	10	20	DGCD	
CCOc1cccc(CN(C)Cc2cccc(OC)c2)c1O	271032083	ZKNBQRWUHBMRHX-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cn3ccc(C)cc3n2)c1	273621843	ZISATVHTDMMFSZ-ZDUSSCGKSA-N	311.385	3.208	10	20	DGCD	
Cc1ccc(O)c(CNC[C@]2(C)OCCc3sccc32)c1	289853020	PTTSDQHRWBJSNS-KRWDZBQOSA-N	303.427	3.340	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1	320779530	VCTQKJCPVUZLTA-LLVKDONJSA-N	318.348	3.289	10	20	DGCD	
CCNC(=O)c1cccc(N[C@H](C)c2cc(F)ccc2O)c1	388242267	ZWOVJYXNVHLVFH-LLVKDONJSA-N	302.349	3.454	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccnc(C3CC3)n2)cc1	732634935	RHZMMDJUSVPVKU-UHFFFAOYSA-N	324.428	3.130	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)CC1(C)C	746767695	ZLXHMGGZBAWYIY-CYBMUJFWSA-N	303.450	3.391	10	20	DGCD	
C[C@@H](NCCNc1cnccn1)c1ccc2ccccc2c1O	756647380	TZHYBGOYPUKKFN-CYBMUJFWSA-N	308.385	3.098	10	20	DGCD	
C[C@H](O)C[C@H](C)N[C@H](C)c1cc(Br)c(F)cc1O	757655916	LORGIXKDKYDVAI-XHNCKOQMSA-N	320.202	3.104	10	20	DGCD	
Oc1ccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)cn1	771186419	GZKZNRCHOFGPJB-UHFFFAOYSA-N	304.309	3.295	10	20	DGCD	
C[C@H](NC(=O)c1cc2ccccn2c1)c1ccc(N(C)C)cc1	775412215	VDQHORIUFXOQRD-AWEZNQCLSA-N	307.397	3.496	10	20	DGCD	
CC(C)[C@H]1C[C@@H](NCc2cc(Cl)cc(F)c2O)CCO1	776254680	KIPMYBUXMAKXIP-GXTWGEPZSA-N	301.789	3.478	10	20	DGCD	
CCOc1ccc(CNCC[C@](C)(O)c2ccccc2)c(O)c1	778212929	HATRDQCUIHDHAX-IBGZPJMESA-N	315.413	3.178	10	20	DGCD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1	779499611	NPUHDFFYRGQPBQ-UFNQUYMESA-N	309.365	3.223	10	20	DGCD	
CCC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccn1	779513959	ZFZIZDRYJLEEFK-WKTRQSJXSA-N	312.369	3.164	10	20	DGCD	
COC1(CN(Cc2ccccc2O)C[C@@H]2CCCO2)CCCC1	792156759	MHFWFXAEOFMRBS-KRWDZBQOSA-N	319.445	3.332	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCCN(C(C)=O)C1)c1cc(Cl)ccc1O	794834334	MVACMOMYRXPQNQ-XJKSGUPXSA-N	324.852	3.345	10	20	DGCD	
CC[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(F)cc1O	796926048	NGGROQITNJEKBL-INIZCTEOSA-N	314.360	3.380	10	20	DGCD	
CC[C@H]1CC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1	806132964	DNEYRTOWOXCZOP-PKOBYXMFSA-N	302.462	3.174	10	20	DGCD	
CCCN(Cc1ncc(CN(C)C)s1)Cc1ccccc1O	809556186	DFLOLSFDOZUCLX-UHFFFAOYSA-N	319.474	3.323	10	20	DGCD	
Cc1cc(O)c(CNC[C@]2(CO)C[C@H]2c2ccccc2)cc1C	810165432	RYGBXNXYHQYKGH-ICSRJNTNSA-N	311.425	3.265	10	20	DGCD	
CC(C)Cn1c(CC2CC2)nnc1N(C)Cc1ccccc1O	812219743	NVNPDHXKJUJVMT-UHFFFAOYSA-N	314.433	3.229	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)C1CC(c2ccc(F)cc2)C1	815836277	XHGPTDUIHXKUCV-UHFFFAOYSA-N	315.344	3.047	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[S@@](=O)C(C)(C)CC2)cc1	825025187	ZIIKSJBSXCYEJP-JOCHJYFZSA-N	322.518	3.266	10	20	DGCD	
Cc1cc(CN[C@@H](CCO)c2ccccc2F)ccc1N(C)C	830356060	URFRAZJZFCKKQW-SFHVURJKSA-N	316.420	3.413	10	20	DGCD	
Cc1cncc(/C=C\C(=O)N2C[C@H](CC(=O)O)c3ccccc32)c1	832985916	CPFGYCXCJHJAHJ-XHPSBEMXSA-N	322.364	3.008	10	20	DGCD	
CON1CCC(N(C)Cc2ccc3ccccc3c2O)CC1	835075899	FUYZTUULBXJQTG-UHFFFAOYSA-N	300.402	3.003	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2Cc3ccccc3[C@@H]2OC)c1	840846512	IBOZGKJAUOAINC-WILYLXEWSA-N	313.397	3.364	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(N2CCCC2=O)cn1	840879659	SDZRVPPINGQIHV-UHFFFAOYSA-N	324.428	3.195	10	20	DGCD	
C[C@H](CC(=O)O)NCc1ccc(N(C)Cc2cccs2)cc1	840995534	SWUNKTRXNVHKRP-CYBMUJFWSA-N	318.442	3.337	10	20	DGCD	
C[C@@H](NCCc1ccc(CO)cc1)c1ccc(Cl)cc1O	841751915	OLVBGVNBQNBDBM-GFCCVEGCSA-N	305.805	3.431	10	20	DGCD	
CCC(C)(C)[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	843303594	BJAXQSVWUFFHGU-GFCCVEGCSA-N	303.761	3.164	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1	843979931	CDZFRYICMYCFLO-MJGOQNOKSA-N	324.424	3.345	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@H](C)CCO)c2C)c1	846600043	KSDBVUZPIKDUSD-CQSZACIVSA-N	314.429	3.245	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H]1CCCn2ccnc21	848554340	YROQALIMEGJDPL-QAPCUYQASA-N	312.461	3.313	10	20	DGCD	
O=C(O)CN(Cc1cc(Cl)cc(Cl)c1O)C1CCC1	848640985	XSXFEGDRMWGUEX-UHFFFAOYSA-N	304.173	3.138	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cc(Cl)ccc1O	850502944	TVPLUIFYQZEBLE-MNIFOHHSSA-N	315.866	3.386	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](OC)C2CCCC2)c1	850563605	ZIRCBTFFHKTVNL-SJCJKPOMSA-N	321.417	3.035	10	20	DGCD	
COC[C@](C)(NCc1ccc(N(C)C)c(C)c1)C(F)(F)F	852717783	JPOYOCRYGXCYQG-AWEZNQCLSA-N	304.356	3.118	10	20	DGCD	
C[C@H](CN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21)CC1(C)OCCO1	866426270	XIUMRJLXNNQFQZ-SCRDCRAPSA-N	323.408	3.458	10	20	DGCD	
COc1cccc(C(C)(C)C(=O)NCc2cc(C)ccc2O)c1	869409899	FUWHPTWKYIMKLJ-UHFFFAOYSA-N	313.397	3.303	10	20	DGCD	
COc1cc(CNCc2ccc3c(c2)CCO3)c(Cl)cc1O	876996159	NSYKVMXQHRWZQJ-UHFFFAOYSA-N	319.788	3.279	10	20	DGCD	
COc1cc(Cl)cc([C@@H]2NC(=O)c3cc(C)ccc3N2)c1O	877861799	CINWOZKZMRZBOT-HNNXBMFYSA-N	318.760	3.217	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NC1(C(F)(F)F)CCC1	879380901	AYJOSWVFDBOQMQ-UHFFFAOYSA-N	322.714	3.330	10	20	DGCD	
C[C@@H](NCC(=O)NC1CCCCCCC1)c1ccccc1O	879647908	QHSUAEWJWZWPLB-CQSZACIVSA-N	304.434	3.272	10	20	DGCD	
C[C@H](NC[C@H](CCO)c1ccccc1)c1c(O)cccc1F	886530521	LWLCOXQIUXBYTG-ZFWWWQNUSA-N	303.377	3.348	10	20	DGCD	
COc1ccc(CN2CCC(C(F)(F)F)CC2)c(O)c1OC	891574106	KGHXAUNKXPBXMV-UHFFFAOYSA-N	319.323	3.184	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cc(C)cc(OC)c2O)c1	894780990	BUEVVBPUUIICQI-GFCCVEGCSA-N	317.385	3.274	10	20	DGCD	
C[C@@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1c(O)cccc1F	903238108	DWJRNXIRLKEGAJ-LLVKDONJSA-N	324.396	3.239	10	20	DGCD	
COc1ccc(CN[C@H]2CCN(C(=O)C=C(C)C)[C@H]2C)cc1C	985919225	CLRMCYOZBIXQLH-RDJZCZTQSA-N	316.445	3.049	10	20	DGCD	
CN[C@@H](C)CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C	1261461489	NGAPKLWSOZHJPH-AWEZNQCLSA-N	313.445	3.130	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@]2(C)CCO[C@@H]2C2CC2)cc1F	1328688198	HCYYAZGYSLFSSI-SJORKVTESA-N	310.388	3.078	10	20	DGCD	
CC(C)(C)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1	1330415554	ZYYVAWFQKUJMNY-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
COC(=O)[C@@](C)(NCc1ccc(OC)c(C)c1)c1ccccc1	1331743163	KPVCCORIZOBSOJ-IBGZPJMESA-N	313.397	3.182	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1CCC[C@H](F)C1)c1ccc(N(C)C)cc1	1332095096	YOPYUIMBIGBENM-AEGPPILISA-N	307.413	3.394	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21	1337785086	JMAYVYPTIRABPG-BZUAXINKSA-N	320.477	3.195	10	20	DGCD	
Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N)cc1)CCC2	1346440045	GGJNUJNRSYWZDA-GOSISDBHSA-N	309.413	3.454	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CCc3cccc(O)c3)ccc21	1351101144	NMSDJBMRQUGVJH-UHFFFAOYSA-N	324.424	3.024	10	20	DGCD	
COc1ccc(CN[C@@H](C(=O)O)c2ccc(F)cc2)cc1C	1574214623	ZXNRMZBVMYAPHH-MRXNPFEDSA-N	303.333	3.058	10	20	DGCD	
CN(C)c1ccc(OCC[C@@H]2CC2(Cl)Cl)cc1C(=O)O	1606058861	RDOIFSFDCLMKHU-SECBINFHSA-N	318.200	3.414	10	20	DGCD	
O=C(O)[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccccc1	1608801700	NQAQETKOKVGRDW-AWEZNQCLSA-N	309.724	3.100	10	20	DGCD	
CCN1CCc2cc(CNc3cccc(CC(=O)O)c3)ccc21	1776878000	ISFWBDREVRVYDF-UHFFFAOYSA-N	310.397	3.308	10	20	DGCD	
CCOc1ccccc1CNC(=O)N(C)Cc1ccccc1O	54604792	SHWLTQQANGOSGA-UHFFFAOYSA-N	314.385	3.133	10	20	DGCD	
COc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1	75159945	QNVWMRXGJLUOPU-UHFFFAOYSA-N	311.381	3.210	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](COCCOC)C2)cc1	93755619	NUJGZAXMRDVCRT-GOSISDBHSA-N	320.477	3.018	10	20	DGCD	
CCOCCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1	108294593	PKKPFDZEABUTON-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(C)cc2C)c1	114589968	JKYAXTUYJJLDQI-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
COc1ccc(CN(C)Cc2cccc(OC)c2O)cc1F	119618976	IUZHEWORIBIQAD-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)NCCCF)cc2)CC1	119856894	OZZZZRJODBHFDG-UHFFFAOYSA-N	307.413	3.082	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H]2CSCCS2)cc1	125189782	OGUCUYMLASRHQJ-INIZCTEOSA-N	310.532	3.471	10	20	DGCD	
COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2)c(OC)c1	131955625	LYGWICISDBRNGH-UHFFFAOYSA-N	302.330	3.248	10	20	DGCD	
CCCC[C@@H](COC)N[C@H](C)c1ccc(N2CCOCC2)cc1	155328994	LDCHIDWKEYUXAS-AEFFLSMTSA-N	320.477	3.379	10	20	DGCD	
CC(C)C[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1	157872687	BEOKUPLYQOXXBZ-HNNXBMFYSA-N	301.434	3.297	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c(O)c1O	182337078	VKMBILMYNWOKMQ-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1	185164425	YFHVFKAGILHVRG-CABCVRRESA-N	310.397	3.157	10	20	DGCD	
CCOC1CC(CC(=O)NCc2ccc(N3CCCC3)cc2)C1	189789234	XCHAPJRIDBAFFD-UHFFFAOYSA-N	316.445	3.108	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc(F)ccc2O)c(OC)c1	273364894	DXHDYYRLDXGVDY-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
O=C(Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1cccc(O)c1O	277352323	AHBAKBYDPZNPLS-WFASDCNBSA-N	324.380	3.339	10	20	DGCD	
COc1cccc(CNCc2ccc3c(c2)CC(C)(C)O3)c1O	289456617	NVBANUBFRDEBAI-UHFFFAOYSA-N	313.397	3.404	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@](CO)(c3ccccc3)C2)cc1C	291185429	FZTFUMBZENSKMN-HXUWFJFHSA-N	311.425	3.145	10	20	DGCD	
COc1cc(NCc2cccc(OC)c2O)cc(OC)c1C	292859409	ZXKXZELARUDCIW-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)c2ccccc2)cc1	320301016	SPWJNUPAJQZKSI-GOSISDBHSA-N	312.413	3.448	10	20	DGCD	
Cc1c(CNC(=O)[C@H]2CCCSC2)n(C)c2ccccc12	355305324	ZDQXUOJWOJPKAQ-ZDUSSCGKSA-N	302.443	3.246	10	20	DGCD	
C[C@H]1CCN(C(=O)/C=C\c2cncc(F)c2)c2c(O)cccc21	492613105	CEMQBGOWOXHRQK-FJOGCWAESA-N	312.344	3.480	10	20	DGCD	
Oc1c(Br)cccc1CN1CCC[C@@H](CF)C1	711479131	XFQALZYRQANLNN-JTQLQIEISA-N	302.187	3.336	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1C[C@]12CCCc1ccccc12	743326684	GRZNAFCRFJMDDT-XLIONFOSSA-N	307.393	3.303	10	20	DGCD	
CCN(C[C@H](O)COc1ccc(F)cc1)c1ccc(OC)cc1	746108751	ANQRWTILXYILTG-INIZCTEOSA-N	319.376	3.101	10	20	DGCD	
CCc1ccc(CN(C)c2ccc(OCC(=O)OC)cc2)s1	753592100	QPCMRVOIRSBUSM-UHFFFAOYSA-N	319.426	3.499	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1coc(C2CC2)n1	763250421	FSPSAXLWEBAODW-UHFFFAOYSA-N	300.358	3.310	10	20	DGCD	
CC(F)(F)CCC(=O)NCc1cccc(Br)c1O	765750570	IBJIMYPJMZSAIX-UHFFFAOYSA-N	322.149	3.206	10	20	DGCD	
COc1cccc(O)c1CN(C)Cc1ccc(N(C)C)cc1	771935401	REKPQJUSPJEWKX-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
CC(C)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n(C)n1	773015985	RSDLHWHPCHMXON-CYBMUJFWSA-N	314.433	3.101	10	20	DGCD	
CCCCOCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773215298	PFNOZQXPSYUOCR-HNNXBMFYSA-N	321.465	3.320	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774484880	SXAWVHWDDSXCFS-ZNMIVQPWSA-N	305.466	3.097	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCO[C@@H](c2ccco2)C1	775734419	OWMCBBBRDVZHRK-CQSZACIVSA-N	311.740	3.351	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C	776154577	AQWAGEYOGKGVHZ-KZNAEPCWSA-N	302.462	3.354	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCC2CC(C)(C)C2)cc1F	780358715	FCIBNFKOVXCZAS-UHFFFAOYSA-N	307.413	3.127	10	20	DGCD	
CCOc1ccc(CNC[C@H](c2ccnn2C)C(C)C)c(O)c1	788074865	FLUOGBFKLGFHQW-INIZCTEOSA-N	317.433	3.054	10	20	DGCD	
CC[C@@]1(NCc2cc(Br)cc(C)c2O)CCOC1	792193344	SYMRGLKVQZIXBK-CQSZACIVSA-N	314.223	3.122	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1nc(C(C)C)n[nH]1	794453603	OWRRRGKEQJEDEV-UHFFFAOYSA-N	300.406	3.280	10	20	DGCD	
CN(Cc1ccccc1O)C(=S)NCCCCC(F)(F)F	794971294	KMFXPJHBZNTNRD-UHFFFAOYSA-N	320.380	3.431	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC3(CCC3)CC2)cc1	796623485	JZGGVOLLNTTYLL-UHFFFAOYSA-N	301.434	3.228	10	20	DGCD	
C[C@@H](NCCc1cncn1C)c1cccc(C(F)(F)F)c1O	798183956	XCOTYYAQZIOYKI-SNVBAGLBSA-N	313.323	3.038	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC2(CCCC2)O1	801524953	BZZDJYNUAWWGJX-MRXNPFEDSA-N	316.445	3.443	10	20	DGCD	
CC[C@@H](NCC1(OC)CCOCC1)c1cccc(Cl)c1O	806149463	SYPMAVCOYBFGJX-CQSZACIVSA-N	313.825	3.282	10	20	DGCD	
Cc1ccc(O)c(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c1	814176392	QHSJXKGLVDFQPI-CYBMUJFWSA-N	303.324	3.242	10	20	DGCD	
Oc1c(CNCc2nccn2C(F)F)ccc2ccccc12	816541502	OCISZFYENDMGNW-UHFFFAOYSA-N	303.312	3.427	10	20	DGCD	
CCCN1C[C@H](CN[C@@H](CC)c2cccc(Cl)c2O)CC1=O	817588999	KQIBZEQHIDCJEZ-WFASDCNBSA-N	324.852	3.345	10	20	DGCD	
C[C@H](NCCc1ccc(N)cc1)c1nc2c(s1)CCCC2	817956799	DDEHDEXFCHOBAD-LBPRGKRZSA-N	301.459	3.497	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)c3cscn3)C2)cc1	818342524	SCNKEFKIHPKGSP-UONOGXRCSA-N	317.458	3.329	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3ccc(Cl)nn3)C2)cc1	819934966	JDFHAZXIDKVRRR-LBPRGKRZSA-N	318.808	3.077	10	20	DGCD	
COc1cc(CN2CCC[C@H](CCO)C2)c(O)c(C(C)(C)C)c1	824719165	CKWJMBGAWXZHQJ-CQSZACIVSA-N	321.461	3.293	10	20	DGCD	
CC(C)N1CC[C@H](N(C)Cc2c(O)ccc(Cl)c2F)C1	825337240	FESDDSAJZKQMAB-NSHDSACASA-N	300.805	3.099	10	20	DGCD	
COc1cc(Br)cc(CN2CC[C@H]3C[C@H]3C2)c1O	827507092	UIJBBGPRNZTWAF-UWVGGRQHSA-N	312.207	3.005	10	20	DGCD	
CC1=CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CC1	827661577	BGSKNLWZRFXDEI-KRWDZBQOSA-N	300.446	3.236	10	20	DGCD	
Cc1nc(CN(C)Cc2cc(Cl)cc(Cl)c2O)no1	827891749	MUVPPDBKFFVSHJ-UHFFFAOYSA-N	302.161	3.022	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)C1CCN(C)CC1	840894432	RLOWDUFFPRRYIV-IRXDYDNUSA-N	317.521	3.312	10	20	DGCD	
C[C@H](NC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C)c1ccc(N(C)C)cc1	841581954	LUBOWNMUEAOWDO-AJNGGQMLSA-N	303.450	3.500	10	20	DGCD	
CCOc1ccc(CN[C@H](CO)CC2CCCCC2)c(O)c1	841893082	DSELCACQYFMVHE-INIZCTEOSA-N	307.434	3.212	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]([C@H]3CCCNC3)C2)c(O)c1	843127919	UPWILJXLWVHZHM-HOTGVXAUSA-N	318.461	3.003	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](OC)c2ccccc2)c1O	846147009	UQOCEBSUVPPUFG-GUYCJALGSA-N	301.386	3.439	10	20	DGCD	
COc1cccc([C@H](C)Nc2ccc(COCCO)cc2)c1O	846170683	CGPMNWDSPGNRCT-ZDUSSCGKSA-N	317.385	3.083	10	20	DGCD	
FC(F)(F)COc1ccc(CSc2nccs2)nn1	848432064	YNUQQCWSPVGWPF-UHFFFAOYSA-N	307.322	3.167	10	20	DGCD	
CCc1cccc(CN2CCCN(c3nccs3)CC2)c1O	848883893	UFHRBCLJCUXYGZ-UHFFFAOYSA-N	317.458	3.123	10	20	DGCD	
CCc1cccc(CN2CCC(CCC(=O)OC)CC2)c1O	848886252	YWXWJAOLKAQDOZ-UHFFFAOYSA-N	305.418	3.120	10	20	DGCD	
CCn1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)nn1	850522268	KUWNKNWWZHCJHN-MRVPVSSYSA-N	315.204	3.161	10	20	DGCD	
C[C@H]1CCCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1	850565100	ACJHVXVBYBKRGH-HNAYVOBHSA-N	302.462	3.316	10	20	DGCD	
CNC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	852920533	CQRIJLUFEYGKFL-LLVKDONJSA-N	319.836	3.085	10	20	DGCD	
Cc1cccc(OCCNC(=O)N[C@H](C)c2ccccc2O)c1	866161784	WTKKAVNTCFAEMF-CQSZACIVSA-N	314.385	3.140	10	20	DGCD	
Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c(O)c1	876809183	XEOYFNXIRGUXIR-DOTOQJQBSA-N	301.386	3.382	10	20	DGCD	
Cc1cccc(O)c1CNCc1cc(COC(C)(C)C)on1	877425098	YWJAFMVDODKBDN-UHFFFAOYSA-N	304.390	3.294	10	20	DGCD	
CCS[C@@H](C)c1noc(CN[C@H](C)c2ccccc2O)n1	879648611	WGIXGMFBBCWMIG-MNOVXSKESA-N	307.419	3.440	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCC1([C@@H](O)c2ccccc2)CC1	883074700	GMZAGFZVIYEIGY-KRWDZBQOSA-N	319.351	3.274	10	20	DGCD	
COc1ccc(OC)c(CN[C@@H](C)c2c(O)cccc2F)c1	886494974	COVFTBHXODYKJZ-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
COc1ccc(CNCCO[C@H]2CCCC[C@@H]2C)c(O)c1OC	892580037	YVVYQTFNSWATRS-ZFWWWQNUSA-N	323.433	3.094	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3nccnc3Cl)C2)cc1	894269910	XGLFYCJUMBHDSP-GFCCVEGCSA-N	318.808	3.077	10	20	DGCD	
COc1ccc(N(CC(C)C)C(=O)/C=C/c2cn(C)cn2)cc1	931106672	PKBSLPHXNRSYEM-BJMVGYQFSA-N	313.401	3.131	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCCC1(F)F	935945926	PXMPQPLWOUAUSG-NSHDSACASA-N	318.360	3.320	10	20	DGCD	
CC1(CC(=O)NCCC2=CCN(c3cccc(F)n3)CC2)CC1	1089851462	ROCHOHUAZSIMCD-UHFFFAOYSA-N	317.408	3.054	10	20	DGCD	
CSc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)o1	1117547831	MNNWVHVHJMRBMI-UHFFFAOYSA-N	309.734	3.443	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCc2nc(C(C)C)no2)c(O)c1	1326282594	GRXZEBKKVJHDAX-CYBMUJFWSA-N	303.406	3.409	10	20	DGCD	
Cc1cccnc1[C@H](NC(=O)NCc1ccc(N)cc1)C(C)C	1335502005	XATAXOPNIRXMBR-MRXNPFEDSA-N	312.417	3.169	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(N)cc1)[C@@H](C)c1ccccc1	1336286245	PVKTUJXORYBXMR-HNNXBMFYSA-N	312.413	3.395	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCc2cc(C)on2)cc1	1336669269	WBXRRCQTBCEBIE-UHFFFAOYSA-N	315.417	3.078	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](OC)c2ccc(F)cc2)c1O	1338250653	RYEYPHDNWGWIBK-QGZVFWFLSA-N	319.376	3.326	10	20	DGCD	
C[C@@H](Cc1ccc(NCc2cccc(F)c2O)cc1)C(=O)O	1592877380	LANPVKAXTWTYPI-NSHDSACASA-N	303.333	3.407	10	20	DGCD	
Cc1cncc(/C=C/C(=O)N2CCCc3cc(C(=O)O)ccc32)c1	1594432129	LXZRJLKJKWXENE-QPJJXVBHSA-N	322.364	3.081	10	20	DGCD	
O=C(O)c1c[nH]c(CNCc2cccc(Cl)c2O)c1C1CC1	1608831376	UJVPZXJWZIEDJW-UHFFFAOYSA-N	320.776	3.239	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1csc2ccc(C(=O)O)cc12	1777698967	VBCSWRGMYNLIHZ-ONNFQVAWSA-N	321.404	3.088	10	20	DGCD	
COc1ccc2ccc(O)c(CN3C[C@@H](C)OC[C@H]3C)c2c1	43751590	BRBIVJKQPFIOQF-CHWSQXEVSA-N	301.386	3.163	10	20	DGCD	
COCCCCNC(=O)c1cc(C)n(-c2ccccc2)c1C	47020200	RWOYQUTUZXPPIP-UHFFFAOYSA-N	300.402	3.251	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)c3cccs3)C2)cc1	62574855	NWYWSINFPIHMQL-ZDUSSCGKSA-N	316.426	3.013	10	20	DGCD	
CC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	69638164	HWBDFXJRHXWVGQ-CRAIPNDOSA-N	318.461	3.306	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1	75499354	YQMLAWXGSZZGBB-RDJZCZTQSA-N	301.434	3.227	10	20	DGCD	
Cc1ccc([C@@H](O)CNCc2ccc(N(C)C)c(F)c2)cc1	113326191	ICCJATXAFWVVCK-SFHVURJKSA-N	302.393	3.023	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cccc3[nH]ccc23)c1	114576062	PLLFOZGDRLSKFK-UHFFFAOYSA-N	311.341	3.204	10	20	DGCD	
CCCOc1ccc(CN[C@H](CCO)c2ccccc2)c(O)c1	124440060	APDAMFITJAOUME-GOSISDBHSA-N	315.413	3.394	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCC2CCN(C(C)=O)CC2)cc1	151041562	FJYHDHBCMMJGCF-OAHLLOKOSA-N	317.477	3.052	10	20	DGCD	
COCCOCCN[C@H](C)c1ccc(N2CCCCCC2)cc1	154011628	WSDCERBCWFBMGI-QGZVFWFLSA-N	320.477	3.381	10	20	DGCD	
Cc1ncccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1	160200981	ASXJYHAZSNUDJY-SFHVURJKSA-N	312.413	3.277	10	20	DGCD	
CCN(CC)C(=O)C[C@H](C)NCc1ccc(N2CCCC2)cc1	177975411	ZTNCISLYCLBCNU-INIZCTEOSA-N	317.477	3.023	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3ncccc3F)C2)c1	185686627	LDKLFHWNESRZHN-KGLIPLIRSA-N	315.392	3.164	10	20	DGCD	
COc1cc(Cl)cc(CN2CCS[C@@H](C)CC2)c1O	190694435	OZERORJMUSUODX-JTQLQIEISA-N	301.839	3.382	10	20	DGCD	
CCOC(=O)[C@H](NCc1cc(Cl)ccc1O)c1ccccc1	194749201	VIMPUXGJEOHPRN-MRXNPFEDSA-N	319.788	3.440	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCN3CCCC[C@@H]23)cc1	236977054	HRRIENRDMWBKFM-OALUTQOASA-N	301.478	3.249	10	20	DGCD	
Cc1ncccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1	237352668	DAFZLZYGPWYKPV-OAHLLOKOSA-N	311.429	3.077	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCC[C@@H]1O	280949119	MDIHWWQIIYKFQQ-AEFFLSMTSA-N	318.461	3.042	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnn(CCF)c1	287859223	MNYPRMJLJLXCJU-UHFFFAOYSA-N	319.380	3.001	10	20	DGCD	
CCCOc1ccc(CNCC[C@@H](O)c2ccccc2)c(O)c1	289406913	HFRCQZXUJWWCFL-GOSISDBHSA-N	315.413	3.394	10	20	DGCD	
CCOCc1cc(CNC[C@](C)(OC)C2CC2)ccc1OC	291067015	QNHJCOKRKMWDBQ-SFHVURJKSA-N	307.434	3.136	10	20	DGCD	
CN(C)C[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccc(F)cc1	297470457	YPFINBHKLJVGAA-DLBZAZTESA-N	314.404	3.411	10	20	DGCD	
Cc1c(CNC(=O)NCCCOC(C)C)n(C)c2ccccc12	349141432	YTONTTKXCLVFKT-UHFFFAOYSA-N	317.433	3.101	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(Br)cc2O)CS1	691408578	YVHRTESXWBTDJH-LDYMZIIASA-N	302.237	3.138	10	20	DGCD	
CCCOC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1	741774397	BGGMHAUFKKXMMN-INIZCTEOSA-N	318.461	3.450	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc2ncccc2c1	743259503	BECASQZHDUOJIK-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)CCO2	743718653	IPBKIYPWOWALSA-UHFFFAOYSA-N	323.392	3.136	10	20	DGCD	
CCOc1ccc(CN[C@H](C)[C@@H](O)c2cccc(F)c2)c(O)c1	749114599	FTKZPNAQOYUZHN-KZULUSFZSA-N	319.376	3.142	10	20	DGCD	
Cc1ncsc1CN(C)c1ccc(OCCN(C)C)cc1	761223827	RURNIEPVKSRGOL-UHFFFAOYSA-N	305.447	3.028	10	20	DGCD	
CCN(CC)C(=O)CN[C@@H](C)c1ccc(N2CCCCC2)cc1	765331561	FFBBSDAMEOPKST-INIZCTEOSA-N	317.477	3.196	10	20	DGCD	
Cc1cnc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1	770614074	CQQDUFFUKMEVPE-CABCVRRESA-N	315.417	3.231	10	20	DGCD	
Cc1nc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1	773210218	KBFCHZMNRMCAMD-LLVKDONJSA-N	318.446	3.078	10	20	DGCD	
CO[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)C	773348679	XTTDWAGQIYCROX-XJKSGUPXSA-N	321.465	3.174	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1ccco1)c1ccc(N(C)C)cc1	773621466	ACQBHQVFEDIYDY-CYBMUJFWSA-N	301.390	3.248	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774484873	SXAWVHWDDSXCFS-KKUMJFAQSA-N	305.466	3.097	10	20	DGCD	
CN1CCN(c2ccc(CN(C)Cc3ccsc3)cc2)CC1	775644536	NNVGPJOCZSISOL-UHFFFAOYSA-N	315.486	3.132	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1OC	776174548	FKFMGALWHBEZLI-GZBFAFLISA-N	305.418	3.468	10	20	DGCD	
CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccccc1Cl	776304317	UBTJGVBRISTESH-HJWRWDBZSA-N	317.776	3.205	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2c(C)ccn2C)cc1	784313435	ZAVGQJAAMIAQSH-UHFFFAOYSA-N	313.445	3.452	10	20	DGCD	
COC(=O)COc1ccc(N(C)C/C=C/c2ccccc2)cc1	784561822	TWTOXLLVEXHMOK-RMKNXTFCSA-N	311.381	3.388	10	20	DGCD	
CCOC1CC(CC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1	788708935	DVSVOMTWGSJXCG-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
c1cncc(-c2nnc(Sc3nccs3)n2C2CC2)c1	798189811	PSIVRJCBMIIWQV-UHFFFAOYSA-N	301.400	3.283	10	20	DGCD	
COc1ccc(CN(Cc2ccccc2O)C2CCCC2)nn1	801517882	WJVULVOHUHLDKK-UHFFFAOYSA-N	313.401	3.136	10	20	DGCD	
Cc1cc(=O)oc2cc(N(C)C(=O)/C=C\c3cccnc3)ccc12	805349858	GDVAOIYGVMYOQM-YVMONPNESA-N	320.348	3.173	10	20	DGCD	
C[C@@H](NC(=O)N[C@H](C)C(F)(F)F)c1ccc(N(C)C)cc1	807139262	AVONNNLMCMUHRE-NXEZZACHSA-N	303.328	3.064	10	20	DGCD	
COc1ccc(O)c(CNc2cnn(C)c2-c2ccccc2)c1	809726742	VGIAWBYKMQDOPZ-UHFFFAOYSA-N	309.369	3.413	10	20	DGCD	
COc1ccc(CNC(=O)Cc2cccc(Cl)c2F)c(O)c1	811485018	SVYXZPMCVHJXPW-UHFFFAOYSA-N	323.751	3.052	10	20	DGCD	
COCc1ccccc1/C=C(C)/C=C1\SC(=S)NC1=O	814187094	ZENAKCQFFHKOAB-SAJCGKLUSA-N	305.424	3.268	10	20	DGCD	
CCN(C)c1ccc(CN(C)C2C[C@@H]3CC[C@H](C2)N3C)cc1	815118357	VGFVMNMMPLGDPL-DFNIBXOVSA-N	301.478	3.200	10	20	DGCD	
CC[C@@](C)(CC(=O)OC)NCc1cc(Cl)c(F)cc1O	816568637	MEEUGIJRLVQDPI-AWEZNQCLSA-N	303.761	3.006	10	20	DGCD	
COC1([C@H](C)N[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CCOCC1	817587696	HISIRIFOKMWFQI-DYEKYZERSA-N	323.408	3.253	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H]1CCCNC1)c1cc2c(cc1O)CCCC2	817947190	MKBZCNHCTBEGND-GRDNDAEWSA-N	302.462	3.310	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CC[C@H]3CNC[C@@H]3C2)cc1	817984835	ASAYBCAGRJAFQQ-LEUOFYLZSA-N	301.478	3.181	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC[C@@H]1CC1(Cl)Cl	820450608	LCJAJQJMDMNQQV-XCRNYIDWSA-N	317.168	3.238	10	20	DGCD	
O=C(NCCCSc1nccs1)C1(C(F)(F)F)CCC1	823297304	BKWMWGQGGABTKS-UHFFFAOYSA-N	324.393	3.474	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C/c2cnccc2C)cn1	823431158	WJJVTSHAAMIKLL-VOTSOKGWSA-N	312.417	3.309	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ncccc2OC)cc1F	825250074	SZJRAORQCZBVOD-UHFFFAOYSA-N	317.408	3.365	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2nc(-c3ccccn3)n[nH]2)c(O)c1C	834904329	OWIYCYUTMJBUEY-CYBMUJFWSA-N	323.400	3.040	10	20	DGCD	
Cc1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1CN(C)C	839190261	YRSOPJJVQBEGOM-UHFFFAOYSA-N	315.373	3.283	10	20	DGCD	
CCN(CC)C[C@H]1CCN(Cc2ccc(N(C)C)cc2C)C1	840917968	XMBSRJGEJGQVJK-QGZVFWFLSA-N	303.494	3.225	10	20	DGCD	
CC(C)OCC(C)(C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	840973731	ODZXMISEBRWFCG-UHFFFAOYSA-N	316.785	3.247	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2coc3ccccc23)cc1	841045681	ODXFQXLGTRRPHH-SFHVURJKSA-N	309.413	3.288	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](O)c2ccc(C)cc2)c1O	846145285	PFQPSRGKCQSQSY-BBRMVZONSA-N	301.386	3.093	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC([C@H]2CCCNC2)CC1	849350503	OQDIMGZSTFRRFT-AWEZNQCLSA-N	308.853	3.257	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccnn2CC2CC2)cc1	850035189	XOZYVZXENXYNQI-UHFFFAOYSA-N	312.461	3.429	10	20	DGCD	
C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1O)C1(CO)CC1	850515423	KUIIDNMLKAZXLM-ZJUUUORDSA-N	303.324	3.223	10	20	DGCD	
COC(=O)N(C)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1O	850548001	MFXLVPASEUNERJ-QMMMGPOBSA-N	321.204	3.048	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)cc1	850750980	RPLFLBMNLHDINC-XJKSGUPXSA-N	303.406	3.082	10	20	DGCD	
CO[C@@]1(C)CCCN(Cc2cc(F)c(N(C)C)cc2F)CC1	862351970	XJSIEBZFUUVNLU-KRWDZBQOSA-N	312.404	3.422	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C	876657803	RRKYMOUGSWJMOR-JKSUJKDBSA-N	302.462	3.268	10	20	DGCD	
CC(=O)Nc1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1)CC2	877816296	AYRMFGPDPPDSFI-UHFFFAOYSA-N	323.440	3.269	10	20	DGCD	
C[C@@H]1OCC[C@H]1CN(Cc1ccco1)Cc1ccccc1O	878240774	KUELRRIMHBBOSV-GJZGRUSLSA-N	301.386	3.412	10	20	DGCD	
CC(C)n1cc(Cl)c(NC(=O)NCc2ccccc2O)n1	889541897	XWQGVADJBYWBMR-UHFFFAOYSA-N	308.769	3.145	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)[C@H](O)c2cccc(F)c2)c1O	894325513	JGPWIGUISQQZJC-PXAZEXFGSA-N	319.376	3.060	10	20	DGCD	
Cc1noc(C[C@@H]2CCCN(Cc3cc(C)c(C)cc3O)C2)n1	897579139	PETJEAWBQZXQIR-HNNXBMFYSA-N	315.417	3.155	10	20	DGCD	
COC(=O)CC1CCN(Cc2c(O)ccc3ccccc23)CC1	918734072	UEZDVSLYSHHRDM-UHFFFAOYSA-N	313.397	3.321	10	20	DGCD	
CCC/C(C)=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1	920216004	JDXQCLLMNZYKLR-CCEZHUSRSA-N	302.418	3.090	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCCCO2)cc1	920349604	SOKBYHHQDYZRNC-GOSISDBHSA-N	312.413	3.393	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@@H](NC(=O)c3ccccc3)C2)cc1C	1021784495	HNFSHNHOTCATCH-HDICACEKSA-N	324.424	3.054	10	20	DGCD	
COc1cc(C)cc(CNCCCN2CCCC[C@@H]2C)c1O	1331527701	CMJWNOHOJJNLNP-HNNXBMFYSA-N	306.450	3.063	10	20	DGCD	
COc1ccc(CNCCCN(C(C)C)C(C)C)c(O)c1OC	1336737240	VPJYEZBHWFAZTA-UHFFFAOYSA-N	324.465	3.008	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccns1	1357374136	LXSHIAMAHKEIHT-UHFFFAOYSA-N	315.442	3.406	10	20	DGCD	
CC(C)c1ccc(O)c(CN2CCC[C@@H](c3cnn[nH]3)C2)c1	1575455618	ZOJGIJAQHDOXOD-CQSZACIVSA-N	300.406	3.013	10	20	DGCD	
C[C@@H](C(=O)O)N(Cc1c(O)ccc(Cl)c1F)C1CCC1	1603198973	RIFKECUCFSSRRJ-QMMMGPOBSA-N	301.745	3.012	10	20	DGCD	
Cc1cc(C)cc([C@@H](O)CSc2ncc(C(=O)O)s2)c1	1607624593	CBMGEYGNGNFAQX-NSHDSACASA-N	309.412	3.284	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(F)c1	52851300	FYCMAZNCESHPII-UHFFFAOYSA-N	314.404	3.483	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccs1	78091896	UDDJHGKAKIAKAD-LLVKDONJSA-N	306.406	3.373	10	20	DGCD	
CCN(C)C[C@@H]1CCN(Cc2ccc(N(CC)CC)c(F)c2)C1	93770229	QRJBIIWFDQHJRT-KRWDZBQOSA-N	321.484	3.446	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(CSC)cc2)c1	114540776	FDZPWDOQGYVYJU-UHFFFAOYSA-N	317.410	3.194	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1	121676336	MHSZMYTVOAPRLA-ZDUSSCGKSA-N	300.377	3.312	10	20	DGCD	
COc1cc(N(C)Cc2ccc(F)cc2)cc(OC)c1OC	125693080	OKWNJDKBYCBIOY-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
CC[C@@H](NCc1nncn1-c1ccccc1)c1ccccc1O	155102994	JLCXVPQHMWCGAZ-MRXNPFEDSA-N	308.385	3.214	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C/Sc2ccccc2)c1	178284177	UHOKPYCGPWNDIE-MDZDMXLPSA-N	315.394	3.323	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2nccn2C)cc1F	182918774	KGVZPBBRMUZPGS-ZDUSSCGKSA-N	304.413	3.256	10	20	DGCD	
Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(O)c2O)cc1	185651188	KOOYJTJDQBAIED-HNNXBMFYSA-N	311.381	3.254	10	20	DGCD	
Cc1csc([C@@H](C)CNC(=O)N(C)Cc2ccccc2O)n1	186816032	WNEQOBYIUBTTBB-NSHDSACASA-N	319.430	3.102	10	20	DGCD	
CC(C)(C)OC(=O)N1CC=C(CNCc2ccccc2O)CC1	189483323	GQHFNASOWFFEBH-UHFFFAOYSA-N	318.417	3.049	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@@H](C)c2ccc(F)cc2O)cc1	191593588	DRFZDYJUZUYPES-XJKSGUPXSA-N	303.377	3.094	10	20	DGCD	
COC[C@@H](C)CNC(=O)c1sccc1-n1c(C)ccc1C	195698863	XIBAHLLKUDPYFK-NSHDSACASA-N	306.431	3.168	10	20	DGCD	
CCN(CC)[C@@H](C(=O)NCc1ccccc1O)c1ccccc1	264189067	BLCCMGUGFQECPO-GOSISDBHSA-N	312.413	3.092	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC2CCN(C3CCC3)CC2)c1	273607979	UWYFWZQTJJMDPG-ZDUSSCGKSA-N	304.434	3.068	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H](C1CCCC1)C(F)(F)F	274880976	NGOUSGBOCDFOHV-CYBMUJFWSA-N	316.323	3.313	10	20	DGCD	
CC[C@@H](C)c1nc([C@H](C)NCc2cc(C)c(C)cc2O)n[nH]1	277469720	RJIOPGFPZOLFKN-MFKMUULPSA-N	302.422	3.491	10	20	DGCD	
COC(C)(C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1	278679387	DFISNFYPQNNRJP-UHFFFAOYSA-N	318.461	3.354	10	20	DGCD	
CC[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1O	287559375	GEJPOJXNICYJRW-MFKMUULPSA-N	312.841	3.390	10	20	DGCD	
C[C@H](NCCC(C)(F)F)c1ccc(N2CCOCC2)c(F)c1	296639317	BYYLNYVYLYZGND-LBPRGKRZSA-N	316.367	3.358	10	20	DGCD	
CSC[C@@H]1CCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	400067867	FGSZVSXSBRHCJJ-HWPRWLFBSA-N	322.386	3.024	10	20	DGCD	
CC[C@H](CCO)NCc1cc(Cl)cc(Br)c1O	708098545	JQHQCXCJNUPZFW-SNVBAGLBSA-N	322.630	3.059	10	20	DGCD	
O=C(CNCc1ccccc1O)Nc1cccc2ccccc12	732230792	AHLHYFVKUMPKFO-UHFFFAOYSA-N	306.365	3.274	10	20	DGCD	
CO[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1	752476185	OIIGUTGOTRYLKR-KRWDZBQOSA-N	312.413	3.263	10	20	DGCD	
CC[C@@](C)(O)CN[C@@H](C)c1cc(Br)c(F)cc1O	756555076	RRFQNFOIGMUYPM-ISVAXAHUSA-N	320.202	3.105	10	20	DGCD	
CN(C)c1ccc(CNc2ccccc2C[S@](C)=O)cc1F	762556391	QGXUAMSSWCTWGH-QFIPXVFZSA-N	320.433	3.382	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CN(C3CC3)C[C@H]2C)cc1	766583956	LTTCTHFPCFIHFI-VCBZYWHSSA-N	301.478	3.276	10	20	DGCD	
CC(C)CC[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768462485	LXBGOYKFDNJPAH-WMLDXEAASA-N	305.418	3.219	10	20	DGCD	
C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(N(C)C)cc1	772995650	QJDSMOMUROBSJF-ZDUSSCGKSA-N	316.376	3.148	10	20	DGCD	
CCN(C)c1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1	773838552	ILXYKCCOEXCRCR-GOSISDBHSA-N	302.462	3.391	10	20	DGCD	
CCC(C)(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774480464	CCYIKESFWSLIGM-KGLIPLIRSA-N	305.466	3.097	10	20	DGCD	
C[C@@H](NC(=O)c1csc(C=O)c1)c1ccc(N(C)C)cc1	775406881	PRUHAPIAEIILBU-LLVKDONJSA-N	302.399	3.118	10	20	DGCD	
COc1cc(O)c(CNCc2ccc(C)c(F)c2)cc1OC	775829221	WZCPCJQBAVLMRP-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
COc1cccc(CN2C[C@H](C)Oc3c(F)cccc32)c1O	776008081	RCYHGGFTINDHOA-NSHDSACASA-N	303.333	3.327	10	20	DGCD	
Cc1ccc(C(=O)NCc2c(F)cccc2Cl)c(O)c1O	780880813	ZCYPWLASTUJXAX-UHFFFAOYSA-N	309.724	3.129	10	20	DGCD	
Cc1nc(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)co1	790525898	QZVZKJREQKLAIA-UHFFFAOYSA-N	310.309	3.314	10	20	DGCD	
CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)cc1	793107710	PVOPVKJLTLAIAP-WMLDXEAASA-N	306.450	3.210	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cccc3cccnc23)c(O)c1	794762285	RDZRNLHOYSMUBH-UHFFFAOYSA-N	323.352	3.271	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@H]1C(=O)NC)c1cccc(Cl)c1O	806150155	MHIZBAIZENNQKA-XBFCOCLRSA-N	310.825	3.001	10	20	DGCD	
COc1nnccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1	809375908	GWSCGUFMSNEPMV-UHFFFAOYSA-N	322.368	3.145	10	20	DGCD	
Oc1c(CNC[C@@H]2COC3(CCCC3)O2)ccc2ccccc12	816560253	JLBNYMUHGQCOSL-MRXNPFEDSA-N	313.397	3.321	10	20	DGCD	
C[C@@H](NCCc1ccc(N)cc1)c1ccc2c(c1)OCCCO2	817956045	OLXJZYXNDAPZBS-CQSZACIVSA-N	312.413	3.323	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3occc3C)C2)cc1	818222965	ZFWUBHOJXHGARP-OAHLLOKOSA-N	300.402	3.213	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](O)CNCc1ccc(N2CC=CC2)cc1	819096170	YIPJIADGTKYOGS-DYESRHJHSA-N	322.452	3.317	10	20	DGCD	
COc1cc(CN(CCO)C2CCCC2)c(O)c(C(C)(C)C)c1	824484253	AAXYPBWKAJIHIO-UHFFFAOYSA-N	321.461	3.435	10	20	DGCD	
CN(C)c1ccc(CN(Cc2cnc3n2CCC3)C2CC2)cc1	824555291	DKYQHUBDKXQVBT-UHFFFAOYSA-N	310.445	3.060	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@H](C)CCCCO)c1	824653841	INFBNRJMUMAZKY-LLVKDONJSA-N	316.239	3.104	10	20	DGCD	
CN(CCOCC1CC1)Cc1ccc(Br)cc1O	824901758	MWBUMANOAHVSCQ-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@@H](C)[S@@]1=O	825886826	QQVPFVHTYVVBCR-YZRASEIHSA-N	315.866	3.085	10	20	DGCD	
O=C(OC1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	830599631	UKNKMQZBJBQLIO-INIZCTEOSA-N	319.401	3.452	10	20	DGCD	
CC[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(C)cc1O	834828372	SINYZIFLFYPPSS-SJLPKXTDSA-N	317.404	3.484	10	20	DGCD	
COc1cccnc1CN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	834907235	ZEGVESPXNOMAIY-PWSUYJOCSA-N	302.349	3.273	10	20	DGCD	
C[C@H](N[C@@H]1CS[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1	840854618	FEZYYYNIMIGWMM-IPYPFGDCSA-N	324.465	3.207	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)[C@H]1C	841889346	BZEUDNMZZFGTIV-ILXRZTDVSA-N	306.425	3.139	10	20	DGCD	
CCCCOCCCNC(=O)NCc1cc(Cl)ccc1O	844849719	YJWQEKYJCPFFHM-UHFFFAOYSA-N	314.813	3.052	10	20	DGCD	
CCCc1nc(C)c(CN(C)c2ccc(OCC(=O)O)cc2)o1	846280459	WVRHTWWCVWCDOM-UHFFFAOYSA-N	318.373	3.035	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1	850356327	OMJZXKNEODVQTF-NRJQMVOHSA-N	322.518	3.312	10	20	DGCD	
CN(C)c1cc(F)c(CNCCNc2ccccc2)cc1F	858148957	RUQNMNUUXPQDAX-UHFFFAOYSA-N	305.372	3.233	10	20	DGCD	
CCOCc1cc(CNC[C@H]2CCCCN(C)C2)ccc1OC	858245691	WADLSFKJHSNTQD-QGZVFWFLSA-N	320.477	3.053	10	20	DGCD	
CN(C)c1cc(F)c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1F	862381116	VELJHXJDPMPFLK-QZTJIDSGSA-N	322.399	3.174	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2SCCc3ccccc32)c1	862759611	HDYDULJAFMZORL-KRWDZBQOSA-N	313.422	3.347	10	20	DGCD	
C[C@@H](NCCn1ccc(C(F)(F)F)n1)c1ccc(F)cc1O	872110573	ZMUCNABYWFTIQT-SECBINFHSA-N	317.286	3.097	10	20	DGCD	
Cc1ccc(CNC[C@@H](O)c2ccc(Cl)c(F)c2)c(O)c1	877128177	DXGFTOVBCLNHPM-MRXNPFEDSA-N	309.768	3.316	10	20	DGCD	
C[C@@H](NCc1cc(F)cc2c1OCOC2)c1ccccc1O	879647767	KRYJZIQRRJYUSX-LLVKDONJSA-N	303.333	3.249	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCCc1nc2c(s1)CCCC2	882997110	XOKFLYOLRSVQQZ-UHFFFAOYSA-N	324.396	3.338	10	20	DGCD	
C[C@@H](NC(=O)N1CCC[C@H](CF)C1)c1ccc(N(C)C)cc1	883582036	LFRFGZRPPAWBCW-ZIAGYGMSSA-N	307.413	3.205	10	20	DGCD	
C[C@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F	886558621	OSOWFXOSGXAFOA-NSHDSACASA-N	324.396	3.049	10	20	DGCD	
Cc1n[nH]cc1C1CCN(Cc2cc(F)cc(F)c2O)CC1	894689810	JNUNAQLGXGOMFA-UHFFFAOYSA-N	307.344	3.082	10	20	DGCD	
COc1ccc(CN(CCO)Cc2cc(C)c(C)cc2O)cc1	895709688	BKBNNXDTFMLDPX-UHFFFAOYSA-N	315.413	3.012	10	20	DGCD	
Cc1cc(Cn2ccnc2[N+](=O)[O-])ccc1N1CCCCC1	918387317	OCFFPFPWFFFWMY-UHFFFAOYSA-N	300.362	3.138	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@@H](C)C2CCCC2)cc1C	1147351044	VMRCPEAHUUEGTJ-HNNXBMFYSA-N	318.461	3.036	10	20	DGCD	
C[C@H]1CCCN(C(=O)CCN[C@@H](C)c2cc(Cl)ccc2O)C1	1325355584	CWMBVLBAEFBAFV-STQMWFEESA-N	324.852	3.345	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc([C@H]2C[C@H]2C(C)(C)C)n1C	1339571735	PKORYGTUOCNCSF-UONOGXRCSA-N	314.433	3.307	10	20	DGCD	
Nc1ccc(CNC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1	1346738602	IIQLNWSWAMZKAS-KRWDZBQOSA-N	309.413	3.043	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC1(Cl)Cl	28333303	SZBLRPLPZKIOJN-ZDUSSCGKSA-N	313.228	3.097	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1F	67821834	UYPSBUNSVCAQDM-UHFFFAOYSA-N	320.795	3.404	10	20	DGCD	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)Cc1ccccc1O	68429696	ZWNHAKJPIQWOBP-NSHDSACASA-N	321.323	3.096	10	20	DGCD	
CCCOc1ccc(CN2CCC(CC)(CO)CC2)c(O)c1	93592281	LUYXLXWURHAULJ-UHFFFAOYSA-N	307.434	3.166	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc(C)c(C)c2)c1O	104969831	OEZUJKXPHNDBAY-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
COC[C@@H]1CCCN(Cc2c(O)ccc3ccc(OC)cc23)C1	112962181	AUANQZSQICSSDV-CQSZACIVSA-N	315.413	3.412	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cccc3c(C)c(C)[nH]c23)c1	114541083	XNWIAVNMCXMIOL-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
Cc1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)ccn1	119605637	IIZOKAJXPNNDAT-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
CN1CCC[C@H]1CCN(Cc1ccco1)Cc1ccccc1O	128379510	IYRJCENYOGDHKR-KRWDZBQOSA-N	314.429	3.472	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1	152520975	MICSEMYFWPJJEC-UONOGXRCSA-N	316.351	3.009	10	20	DGCD	
CC[C@@H](NCCCCN1C[C@H](C)O[C@H](C)C1)c1ccccc1O	155412072	NFJQXTGOQOCQQT-SOLBZPMBSA-N	320.477	3.322	10	20	DGCD	
C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	155673216	UJZGQICQQIJPII-HOTGVXAUSA-N	313.445	3.250	10	20	DGCD	
CCC(CC)[C@H](O)CNC1CCN(c2ccc(OC)cc2)CC1	162217600	FNOBRIIMNFODNP-LJQANCHMSA-N	320.477	3.051	10	20	DGCD	
COC(=O)CCC1CCN(Cc2cc(C)cc(C)c2O)CC1	164474989	KOMFPYOWIARIJG-UHFFFAOYSA-N	305.418	3.174	10	20	DGCD	
C[C@@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O	170789515	ACJQWNXEHUPMRA-GHMZBOCLSA-N	320.330	3.066	10	20	DGCD	
Cc1cccc(CNC[C@@](C)(O)c2cccc(Cl)c2)c1O	184961266	ZZGJNJAJRKYPBN-QGZVFWFLSA-N	305.805	3.351	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc([S@@](C)=O)cc2)c(O)c1	186095046	QYQJSNFNMIVIEY-LRTDBIEQSA-N	303.427	3.289	10	20	DGCD	
CC[C@H](C)CC(=O)N1CCCN(c2ccc(OC)cc2)CC1	189147525	CTVDHAPBEVSIKE-HNNXBMFYSA-N	304.434	3.170	10	20	DGCD	
C[C@H]1C[C@H](C)CC[C@H]1NCc1ccc(N2CCOCC2)cc1	237537713	WZMCUYNALXMHEC-JTDSTZFVSA-N	302.462	3.438	10	20	DGCD	
CN(C)C(=O)CCCNCc1cc(-c2ccccc2)ccc1O	263655736	FVQFRNVQRCIEQG-UHFFFAOYSA-N	312.413	3.017	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc(C)cc2O)cc1[N+](=O)[O-]	273571556	KRSHVEJAXNFBFL-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
CC[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(C)cc1O	280113112	NSKRAFFMCPHDML-GOEBONIOSA-N	305.418	3.427	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCC(F)(F)C2)cc1F	282124734	KSNUFCIAGAIAJY-GFCCVEGCSA-N	314.351	3.333	10	20	DGCD	
C[C@@H](CN(C)C)NCc1ccc(OCc2ccccc2)cc1O	289932493	WNJLBLYILZYCJL-HNNXBMFYSA-N	314.429	3.011	10	20	DGCD	
C[C@@H](NC[C@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1O	290251023	JWVQVIFKPIKEJD-NEPJUHHUSA-N	314.341	3.127	10	20	DGCD	
C[C@@H](C(=O)NCc1ccccc1O)[C@@H]1OCCc2sccc21	293675145	KJUXENIBWBQVPY-BZNIZROVSA-N	317.410	3.020	10	20	DGCD	
CCSCCCNC1CCN(c2ccc(OC)cc2)CC1	360013210	FMPRXRAMGZFBRT-UHFFFAOYSA-N	308.491	3.397	10	20	DGCD	
Oc1ccc(Br)cc1CN1CCC[C@H]1c1ncc[nH]1	375355815	XQKPAJSBXYMPIX-LBPRGKRZSA-N	322.206	3.215	10	20	DGCD	
Cc1c(CNC(=O)N[C@H](C)C(C)(F)F)n(C)c2ccccc12	454878519	SWCONEXIRMJDQC-LLVKDONJSA-N	309.360	3.330	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccccc1OC(F)F	588403594	PKCYOCYWQOXJLO-VURMDHGXSA-N	321.279	3.351	10	20	DGCD	
CC1(C)CN(Cc2ccc(Br)cc2O)CCCO1	691678553	PDCQVLZLBIBZPP-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
CCN(Cc1c(O)cccc1Br)C[C@H]1CCCO1	707145017	FFGKDESYSFTOPB-LLVKDONJSA-N	314.223	3.156	10	20	DGCD	
CC(C)(C)OC(=O)NC1(CNCc2ccccc2O)CCCC1	711053578	VIXMJOQGHWMNHK-UHFFFAOYSA-N	320.433	3.319	10	20	DGCD	
COc1cccc(NNC(=S)Nc2ccc(OC)c(F)c2)c1	726447228	SUSNLIGKXNPLJW-UHFFFAOYSA-N	321.377	3.156	10	20	DGCD	
O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(O)cs1	731866623	XGPUKJHHAIFPPH-UHFFFAOYSA-N	301.289	3.403	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ncoc2C(C)C)c1	732286595	HQKJPHOLNKPUDM-SNVBAGLBSA-N	304.346	3.003	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1	733000012	LVTMTIHLZPFTNM-KCQAQPDRSA-N	321.417	3.173	10	20	DGCD	
CCc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)ncn1	733188486	GLRNWHBSOLPWDO-AWEZNQCLSA-N	312.417	3.049	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1nc(-c2ccccn2)no1	734146446	BOOBCYDAHUIKNM-UHFFFAOYSA-N	322.368	3.093	10	20	DGCD	
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(O)cs1	740129351	WWORTFUKFVUROK-UHFFFAOYSA-N	320.370	3.115	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CC[C@@H](C)O1	743293415	YSNWNTFJLZCCAH-QAPCUYQASA-N	318.461	3.449	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1	745858156	ORSFIYONMKHBJP-HKUYNNGSSA-N	310.397	3.264	10	20	DGCD	
CN1CCCc2cc(CNC(=O)/C=C\c3ccsc3)ccc21	746809321	VIXMBKYZUOQXNP-ALCCZGGFSA-N	312.438	3.460	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC12CCC(CC1)C2	757054190	UYDSZQSEIHSJQJ-UHFFFAOYSA-N	315.461	3.474	10	20	DGCD	
Cc1ccc(OCCOC(=O)/C=C/c2ccc(O)c(O)c2)cc1	759591471	IDGHWJUZXNVBKH-WEVVVXLNSA-N	314.337	3.042	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2ccnn2CC)cc1	768208125	NQUOMYRUWCPCDJ-UHFFFAOYSA-N	300.450	3.381	10	20	DGCD	
COC(=O)[C@H](C)CN(Cc1cc2c(cc1O)CCCC2)C1CC1	768451285	MIYZCPRBSDCXNL-CYBMUJFWSA-N	317.429	3.045	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CCCC(F)(F)F)ccc21	770715099	AZHSLZMLQYCPFZ-UHFFFAOYSA-N	314.351	3.418	10	20	DGCD	
CC(C)Cn1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1	773000855	QCHYWSPLDQHYBR-AWEZNQCLSA-N	314.433	3.096	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCC(C)(C)C2)c1O	775109413	WJODAKQQDSOCMV-GFCCVEGCSA-N	308.378	3.367	10	20	DGCD	
CC[C@@H](NCC1(OC)CCOCC1)c1cc(Cl)ccc1O	775523251	GUANKWZSXSGYOF-CQSZACIVSA-N	313.825	3.282	10	20	DGCD	
CC[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O	775526085	IXJXSBXHNBXLSR-OCCSQVGLSA-N	324.852	3.486	10	20	DGCD	
Cc1cccc2c1CC[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1	779514865	NKVMEUVQWOQSMX-DHINHOHASA-N	309.365	3.223	10	20	DGCD	
COc1ccc(CNC(=O)C[C@H](C)c2cccc(F)c2)c(O)c1	794382231	ZYSUYRCQMSFGIN-LBPRGKRZSA-N	317.360	3.350	10	20	DGCD	
Cc1ccc([C@H](O)[C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1	796480080	CAUCIFYFDBPWRW-IFXJQAMLSA-N	316.420	3.412	10	20	DGCD	
CC(C)(C)OC(=O)NC[C@H](NCc1ccccc1O)C(C)(C)C	798508467	ZWWSXEMLBCDJKM-HNNXBMFYSA-N	322.449	3.421	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccsc1	800907642	LPSTZYNLELLIDP-GFCCVEGCSA-N	303.431	3.375	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCOC[C@@H]2CCCO2)c1O	808695048	DTJVQXRVVWZUDU-JSGCOSHPSA-N	313.825	3.200	10	20	DGCD	
C[C@H]1C[C@@H](N2CCCC2)CN1Cc1cc(Cl)cc(F)c1O	809703955	SEIPMMOIBRPFRA-SMDDNHRTSA-N	312.816	3.243	10	20	DGCD	
C[C@@H](CCN(C)C)N[C@H](C)c1cccc(C(F)(F)F)c1O	815570992	QSBNUAPMOIPHDY-WDEREUQCSA-N	304.356	3.402	10	20	DGCD	
COCCOc1ccc([C@@H](C)NCCc2ccc(N)cc2)cc1	817956241	UQVDXXSGECYRDN-OAHLLOKOSA-N	314.429	3.187	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3cnccc3C)C2)cc1	818221948	PRDQYPDLUCWLKF-INIZCTEOSA-N	311.429	3.015	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN2CCC[C@H]2CO)cc1	823419300	XTNTVWMKSFKABE-KRWDZBQOSA-N	316.470	3.341	10	20	DGCD	
COc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	824162341	YAFOROADXGAYSG-LBPRGKRZSA-N	314.389	3.039	10	20	DGCD	
COC[C@@H](NCc1cccc(C)c1O)c1cccc(OC)c1	827011676	LIIIJNINRBXCGT-QGZVFWFLSA-N	301.386	3.187	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccnc1F	832089145	VJYHWDBQSKXCKJ-UHFFFAOYSA-N	315.348	3.127	10	20	DGCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1ccc(N2CCCCCC2)cc1	834898859	HHYOTVMNZSBJMQ-HZPDHXFCSA-N	317.477	3.242	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CCCCC1(F)F	837586925	HLLGGHHFQBFQCP-PZBABLGHSA-N	312.312	3.480	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NOC1CCCC1	840344047	WYBFGZOVJFVNOH-CQSZACIVSA-N	319.449	3.165	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCc2ccccc2[C@H]1CO	840915164	LSZBFWFFKSZUPW-HXUWFJFHSA-N	310.441	3.153	10	20	DGCD	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCc1ccc(N)cc1	841957329	HTLSPSKLVLYYOS-KXBFYZLASA-N	323.440	3.399	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)cc1	843494292	ZWNOGTDTKRSKAW-RDJZCZTQSA-N	321.424	3.439	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1	850750978	RPLFLBMNLHDINC-CJNGLKHVSA-N	303.406	3.082	10	20	DGCD	
CC[C@H](C)[C@](C)(O)CNCc1c(O)cccc1Br	858135610	ZVJXWMLTVYGMCC-IINYFYTJSA-N	316.239	3.041	10	20	DGCD	
CC(=O)c1cc(F)cc(Cn2cc(/C=C/C(C)C)nn2)c1O	880996031	MHYIYGVETAYCRJ-SNAWJCMRSA-N	303.337	3.043	10	20	DGCD	
CCc1ccc([C@H](O)CNCc2cc(F)cc(F)c2O)cc1	883116844	HTAJBYUIZPEMBT-MRXNPFEDSA-N	307.340	3.056	10	20	DGCD	
C[C@H](NCCN1Cc2ccccc2C1)c1c(O)cccc1F	886515472	HWENFRSWIGUMAW-ZDUSSCGKSA-N	300.377	3.198	10	20	DGCD	
CC[C@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1ccccc1O	897423764	PMLXVKUBCWGXEK-AWEZNQCLSA-N	320.433	3.490	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)Cc2cccnc2)ccc1OC	897970666	UDWNTKHDIGRTTP-HNNXBMFYSA-N	314.429	3.348	10	20	DGCD	
Cc1ccc(NC(=S)NCc2cc(N(C)C)ccn2)c(C)c1	905618454	OLMCNQKZLIUMDB-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
CCC/C(C)=C/C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	920882527	RRIOTQOUASBWGW-IYOXOMEYSA-N	316.445	3.447	10	20	DGCD	
Nc1ccc(CNC(=O)NC[C@H]2CCCc3ccccc32)cc1	1120569904	LWXIZDNMDWMPCP-MRXNPFEDSA-N	309.413	3.188	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OC[C@@H](C)O)c1	1327717580	XGBIYNDRGBWAGO-GFCCVEGCSA-N	307.777	3.285	10	20	DGCD	
COc1ccc(N(C)CCC2CN(C(=O)OC(C)(C)C)C2)cc1	1329841731	SONUAALCQZXHOC-UHFFFAOYSA-N	320.433	3.388	10	20	DGCD	
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C12CCC2	1336448341	ARIMIEZGUOLXTC-DAXOMENPSA-N	318.417	3.100	10	20	DGCD	
Cc1cc(NCc2c(O)cccc2Cl)cc(-c2nn[nH]n2)c1	1592052453	MKLIGSHEJHJANF-UHFFFAOYSA-N	315.764	3.146	10	20	DGCD	
O=C(O)[C@@H](NCc1cc(Cl)cc(F)c1O)c1ccccc1	1595160965	AQJOGLIYTHNUFV-ZDUSSCGKSA-N	309.724	3.100	10	20	DGCD	
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nccs2)c1C	52913867	RJJWBOKEDJQSFI-UHFFFAOYSA-N	324.427	3.240	10	20	DGCD	
CC[C@@H](C(=O)NCc1cc(OC)ccc1O)c1ccc(F)cc1	127524488	OBAMWRYTXYQUOY-MRXNPFEDSA-N	317.360	3.350	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC(OC[C@H]3CCCO3)CC2)c1	164469133	FXDWDEGNEHZKLD-GOSISDBHSA-N	319.445	3.169	10	20	DGCD	
CSCCCCC(=O)N1CCOc2cc(N(C)C)ccc21	173194230	ADVYFGYBKNRQEJ-UHFFFAOYSA-N	308.447	3.011	10	20	DGCD	
CCc1ccsc1C(=O)N1CCOc2cc(N(C)C)ccc21	173208273	KRZYDJJAWHAGHD-UHFFFAOYSA-N	316.426	3.416	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(F)c1	176268120	IADMJCKINSDYQC-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@H]1CCOC1	177348948	GUPJOQKICFKLTE-CQSZACIVSA-N	318.442	3.264	10	20	DGCD	
COc1ccc(O)c(CN(C)CCOc2cccc(C)c2)c1	179620802	QWLIXRJPWSYIBX-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
C[C@@H](N[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1O	186789421	GWUJUYTWSHUPNN-OASPWFOLSA-N	314.223	3.109	10	20	DGCD	
Nc1ccc(CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	216270923	GBUKIRWXQUSKHH-RYUDHWBXSA-N	300.324	3.254	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCNC(=O)OC(C)(C)C	230660221	LKXOVHJNZNNSKR-QWHCGFSZSA-N	320.433	3.363	10	20	DGCD	
CC[C@@H](NC(=O)NCc1cccc(OC)c1O)c1ccccc1	266669611	AFNFMABBYVWYNE-OAHLLOKOSA-N	314.385	3.351	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H](C)CCCO)c1C	268690319	RGQJVCFSWDGVAF-AWEZNQCLSA-N	314.429	3.293	10	20	DGCD	
C[C@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1	279643043	JMPHQVVWWQVAFK-AWEZNQCLSA-N	304.217	3.436	10	20	DGCD	
CC(C)c1scnc1NC(=O)NCCc1ccc(O)c(O)c1	290075059	ZBMSCWIFQUJBDS-UHFFFAOYSA-N	321.402	3.042	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@@H]3CN(C)CC[C@H]32)c(O)c1	290400439	JJUAJSPHJCFYOK-CRAIPNDOSA-N	318.461	3.097	10	20	DGCD	
Cc1ccc(O)c(CN(Cc2ccco2)C2CCN(C)CC2)c1	290567070	STWPYXJTQAXQEB-UHFFFAOYSA-N	314.429	3.390	10	20	DGCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccc([S@](C)=O)cc1	296687924	HABPPUIKYWXPSW-OLZZKDKNSA-N	315.438	3.468	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H](CO)c2ccccc21	354044465	ITZXIKWVMZGVOB-PKYBCLHXSA-N	310.353	3.204	10	20	DGCD	
Cc1c(CNc2cncc(-n3cccn3)n2)n(C)c2ccccc12	359794689	BZDCSRPTDXSUOL-UHFFFAOYSA-N	318.384	3.075	10	20	DGCD	
Cc1cc(C)c(CNCc2cccc(Br)c2O)cn1	396963469	DPVSBQPBYSBMNE-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
CCN(C(=O)c1ccoc1CC(N)=O)c1cccc2ccccc12	560470049	QHRCSFYLRBGRSY-UHFFFAOYSA-N	322.364	3.127	10	20	DGCD	
C[C@H](CN(C)C(=O)OC(C)(C)C)N[C@@H]1CCc2cccc(O)c21	701914417	FPVZLLLBCOQPSA-TZMCWYRMSA-N	320.433	3.225	10	20	DGCD	
CCC(CC)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726610489	KAUODXDAWHGSEM-UHFFFAOYSA-N	319.449	3.152	10	20	DGCD	
CC(C)OCc1ccccc1CNC(=O)c1cc(O)cs1	732267775	VNDWTYDOWWGYMB-UHFFFAOYSA-N	305.399	3.309	10	20	DGCD	
CN(C)c1ccc(CN(CCN2CCCCC2)C2CC2)cc1	736946331	ZKLAAQXDVAFQQT-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)c2ccc(C)o2)c1	743335924	DCGMBSFWGKEMRO-VXGBXAGGSA-N	303.358	3.283	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCN2C[C@@H](C)C[C@@H](C)C2)c1	756415903	MDOQGGONRNWQJM-QLFBSQMISA-N	306.450	3.029	10	20	DGCD	
C[C@@H](Nc1cnn(CC(F)F)c1)c1cc(F)cc(F)c1O	756843405	DXLKBMCIXRQXSQ-SSDOTTSWSA-N	303.259	3.305	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)c1cccnc1	778283510	IAISDDMLHZZLDO-UHFFFAOYSA-N	311.429	3.050	10	20	DGCD	
CCOc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1C	779514269	NEFRBIVCXXURRX-RMKNXTFCSA-N	313.353	3.457	10	20	DGCD	
C[C@@H]1CCCN(CCNCc2c(O)ccc(Cl)c2F)C1	790950325	VWFFTJPEFTYLKL-LLVKDONJSA-N	300.805	3.006	10	20	DGCD	
CN(C)c1ccc(CNCCOCC2CC2)c(C(F)(F)F)c1	792974728	OVGPBIQUTXAISV-UHFFFAOYSA-N	316.367	3.288	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc3c2CCO3)c1	794832554	ACUXMTSXTUYGOD-LLVKDONJSA-N	313.353	3.287	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc(C[S@@](C)=O)cc2)cc1C	796526643	OYBPNWYAHTTXSK-JOCHJYFZSA-N	317.454	3.177	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc2nc(O)oc2c1	796739060	PCWXKRXDMHJVKI-LLVKDONJSA-N	310.353	3.319	10	20	DGCD	
CC[C@@H](N[C@@H](CO)CCOC)c1ccc(Cl)c(Cl)c1O	798940879	OKAKTJJJZUMNOT-BXKDBHETSA-N	322.232	3.137	10	20	DGCD	
CCOc1ccc(O)c(CNCC[C@H]2C[C@H](C)O[C@H](C)C2)c1	801732835	YTOIESKLKOLEHW-QDMKHBRRSA-N	307.434	3.474	10	20	DGCD	
C[C@@H](Nc1cc(N2CCCC2)ncn1)c1ccc(N(C)C)cc1	804622139	UHMGLFFDQGEGEN-CQSZACIVSA-N	311.433	3.316	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CSC[C@H]2C)cc1	804967333	OJFLDSKOCWHQIS-CJNGLKHVSA-N	321.490	3.084	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c(O)c1	809768625	QTPVDXRMUXWRNT-MRXNPFEDSA-N	315.417	3.468	10	20	DGCD	
CC[C@H](NCc1ccn(C)n1)c1ccc(C(F)(F)F)cc1O	810228244	DKEHMJFZLYLCSP-ZDUSSCGKSA-N	313.323	3.385	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H](F)C(F)(F)F	811529663	PDRDXAAGMLVTPL-QMMMGPOBSA-N	320.069	3.216	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc([C@H](C)N)cc1	817929935	VVDWPOFZWWCWQC-AWEZNQCLSA-N	312.413	3.464	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCC3(OC)CCCC3)C2)cc1	818221088	LFGRDQBTSSHLNQ-INIZCTEOSA-N	318.461	3.070	10	20	DGCD	
CC[C@H]1CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1	819169168	XSNRUQAZCLSYIF-ZFWWWQNUSA-N	316.401	3.125	10	20	DGCD	
Cc1ccc(O)c(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c1	822530373	ZAPVLGYGRUJVHP-SFHVURJKSA-N	301.430	3.482	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@]1(C)CO	827700878	YPRWVDPRDQMREG-QFBILLFUSA-N	302.462	3.127	10	20	DGCD	
c1csc(SCCCNCc2cnc(C3CC3)nc2)n1	838963480	VQURWBHMCXEIRF-UHFFFAOYSA-N	306.460	3.083	10	20	DGCD	
CCN(CC)C[C@@H]1CCN(Cc2ccc(N(C)C)cc2C)C1	840917967	XMBSRJGEJGQVJK-KRWDZBQOSA-N	303.494	3.225	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1OCCc2sccc21	841299295	IUNDGNQFWVRFSY-BMIGLBTASA-N	317.414	3.154	10	20	DGCD	
Cc1cc(N(C)C)ccc1/C=C1/SC(=S)N(C2CC2)C1=O	841497391	WPBGLSOSKXZRSL-NTEUORMPSA-N	318.467	3.425	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@H](c2ccccc2)C2CC2)cc1	841668782	CVYBXTOUMPBUAL-GOSISDBHSA-N	309.413	3.262	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CCN(CC(F)F)C2)c1O	841761733	KLNYNFXAJKXEAT-CMPLNLGQSA-N	318.795	3.344	10	20	DGCD	
NCc1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1	843127311	DVYPPXWZPDAMKE-UHFFFAOYSA-N	309.457	3.425	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](CCN(C)C)C(C)(C)C)c1O	846142712	CCCWKOMFITVRIE-CZUORRHYSA-N	308.466	3.418	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)[C@@H](O)c2ccc(C)cc2)c1O	846169348	CYMSWYSGYKEOFS-PMUMKWKESA-N	315.413	3.482	10	20	DGCD	
COc1cccc([C@@H](C)NCC2CCN(CC3CC3)CC2)c1O	850585340	WHZZAVJOZMDHEO-CQSZACIVSA-N	318.461	3.173	10	20	DGCD	
Cc1cc(CNCc2cc(F)c(N(C)C)cc2F)cc(C)n1	858178846	BIUSMALOXBRJRQ-UHFFFAOYSA-N	305.372	3.332	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	876506903	QHHOEUKIHYBZOQ-ZTFGCOKTSA-N	317.477	3.085	10	20	DGCD	
COc1ccc([C@H](CN(C)C)NCc2ccc(C)cc2O)cc1	877508672	BSWLISYRYSZFJN-SFHVURJKSA-N	314.429	3.102	10	20	DGCD	
Cc1cc(O)c([C@H]2NC(=O)c3ccccc3N2C)cc1Cl	877842528	ICMDFGALOVNOQJ-HNNXBMFYSA-N	302.761	3.232	10	20	DGCD	
CC1(C)N[C@@H](c2cccc(F)c2O)N(CC2CCCCC2)C1=O	877857007	JYQOHAVOLBTDDM-MRXNPFEDSA-N	320.408	3.321	10	20	DGCD	
CSc1ccc(CNCc2ccc(N3CCOCC3)cc2)o1	882915322	MZPVSASRKSMTDD-UHFFFAOYSA-N	318.442	3.128	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H](CCO)C(F)(F)F)c1O	886804169	SYISSZRDXYLSGF-LDYMZIIASA-N	311.731	3.318	10	20	DGCD	
COc1ccc(CN[C@@H]2CCc3cc(F)ccc32)c(O)c1OC	892680656	QXDSRLYCBRCZFD-OAHLLOKOSA-N	317.360	3.326	10	20	DGCD	
COCC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccc(C)o1	894420695	QJRGZNDIMOIFGO-OAHLLOKOSA-N	319.401	3.478	10	20	DGCD	
CC[C@@H](C)c1nc([C@H](C)NCc2cc(C)cc(OC)c2O)n[nH]1	894554915	BPFVCVRBZZSHNF-NEPJUHHUSA-N	318.421	3.192	10	20	DGCD	
CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(N)cc1	1335730135	JPBHRPWEGDHPNM-UHFFFAOYSA-N	313.401	3.009	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCCC[C@H]2N(C)C)cc1	1338889953	YKYOIVNPXBLVJN-RBUKOAKNSA-N	303.494	3.495	10	20	DGCD	
CC1=CCC[C@H](C)[C@H]1CNC[C@@H](N)c1ccc(N(C)C)cc1	1576556146	NZHUESLFRHZUJD-ZYSHUDEJSA-N	301.478	3.334	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C(=O)O)C1(OC)CCC1	1595747668	IKHOXPXDCFFCLI-INIZCTEOSA-N	321.417	3.017	10	20	DGCD	
COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@H](C)C(C)C)cc1C	1755606524	LGCDCHNQAJZFMU-JKSUJKDBSA-N	320.477	3.232	10	20	DGCD	
CCCOc1ccc(CN[C@]2(C(=O)O)CC[C@@H]3C[C@H]32)cc1C	1776819743	CRAJHUGUQBQLOK-IIDMSEBBSA-N	303.402	3.127	10	20	DGCD	
CN(C)c1ccc2c(c1)CN(Cc1cccc(C(=O)O)c1)CCC2	1777041208	NFQCDWDRKFNBFV-UHFFFAOYSA-N	324.424	3.399	10	20	DGCD	
COc1ccccc1/C(C)=C/C(=O)N(C)Cc1ccccc1O	67154243	JZSALVPHSFNKJW-WYMLVPIESA-N	311.381	3.463	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cc1O	72748035	CIWAQZLRJKGSHV-UHFFFAOYSA-N	318.804	3.384	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(F)cc1F	96733752	OZOYFDAMNITBOS-UHFFFAOYSA-N	318.323	3.054	10	20	DGCD	
CC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	128544576	JDRKKCOWIRCDFM-CYBMUJFWSA-N	312.413	3.500	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c(O)c1O	177667042	ZDBSOZGLJQAJKZ-OAHLLOKOSA-N	311.381	3.254	10	20	DGCD	
Cc1ccc(O)c(CNC[C@H]2COC3(CCCCCC3)O2)c1	181100193	MOJYNGSAQLCCID-INIZCTEOSA-N	305.418	3.256	10	20	DGCD	
C[C@H](NCC[S@@](=O)C(C)(C)C)c1cc(Cl)ccc1O	185474726	HZMNNZPUTYDUSD-APBUJDDRSA-N	303.855	3.243	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCCOCC2CCOCC2)c1	185520107	RFROXIVJDAWXLY-HNNXBMFYSA-N	307.434	3.185	10	20	DGCD	
O=[N+]([O-])c1cnc(Sc2nnc(-c3cccs3)o2)s1	190305141	RNCPWAOFNAMOEY-UHFFFAOYSA-N	312.357	3.314	10	20	DGCD	
Cc1ccc(O)c(CNC[C@](C)(Cc2ccccc2)[C@@H](C)O)c1	191713134	CDHRLTUVOSIRGO-UZLBHIALSA-N	313.441	3.420	10	20	DGCD	
CN1C(=O)/C(=C/c2cc(Br)cs2)SC1=S	192839425	GMYCFKFAFPEQDD-CLTKARDFSA-N	320.258	3.342	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)C1(CC)CC	236883020	NMHLFMAKSYVNIQ-DLBZAZTESA-N	318.461	3.254	10	20	DGCD	
COc1cc(O)c(CN(C)C2Cc3ccccc3C2)cc1OC	271096921	NCJHIAYJCNSXKD-UHFFFAOYSA-N	313.397	3.009	10	20	DGCD	
CCCOc1ccc(CNCC2([C@@H](C)CCO)CCC2)c(O)c1	271805893	JWGZKRFTACSRRF-HNNXBMFYSA-N	321.461	3.459	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)NCc2ccc(N(C)C)cc2)n[nH]1	276761894	AJBJELKEGXWRSW-STQMWFEESA-N	301.438	3.235	10	20	DGCD	
OC[C@@]1(CNCc2c(O)cccc2Cl)C[C@H]1c1ccccc1	289957982	VFSJBWPNBOHPRS-YJBOKZPZSA-N	317.816	3.301	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H]1CCN(C2CC2)C1	314767420	WHKOEUFBJFFAMA-IJEWVQPXSA-N	300.446	3.323	10	20	DGCD	
Cc1c(CNC(=O)Nc2ccc(F)cn2)n(C)c2ccccc12	346880547	DBHNVUUUOXVIID-UHFFFAOYSA-N	312.348	3.343	10	20	DGCD	
C[C@H]1C[C@H](NCc2cc(Br)ccc2O)CS1	397924540	JIRFADWGGOSVKI-KWQFWETISA-N	302.237	3.138	10	20	DGCD	
Cc1cccc(CCNCc2cccc(Br)c2O)n1	689445505	PRSDYAKHJYAYSQ-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
Cc1noc(OCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1	730730932	BQEWWWDZPUUNFF-UHFFFAOYSA-N	311.341	3.047	10	20	DGCD	
O=C(OCc1ccccc1OC(F)F)c1cc(O)cs1	732352959	ISVMFSNATYPMGT-UHFFFAOYSA-N	300.282	3.412	10	20	DGCD	
O=C(O)c1ccc2c(c1)CN(Cc1c(O)ccc3ccncc13)C2	740202003	GWEIYMZFXXOGQU-UHFFFAOYSA-N	320.348	3.154	10	20	DGCD	
Cc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ncn1	741956176	JZMZDKXOZUPYEN-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
CC(C)OC(=O)CCN(Cc1ccc(N(C)C)cc1)C(C)C	743841131	FWASFJYEPLCRLD-UHFFFAOYSA-N	306.450	3.305	10	20	DGCD	
CC(C)c1noc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1	749271439	FWSGVJLTCVLPCR-UHFFFAOYSA-N	300.406	3.428	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2cccc3cc[nH]c23)cc1	753590897	FDMYDETYNHMIAI-UHFFFAOYSA-N	324.380	3.356	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](CO)Cc2ccco2)c(O)c1C	756660723	ORAUSAWRCQRFOA-HUUCEWRRSA-N	303.402	3.104	10	20	DGCD	
C[C@@H](N[C@H](CO)CC(F)(F)F)c1cc2c(cc1O)CCCC2	756774384	CKSOZRDQFXFGEC-MFKMUULPSA-N	317.351	3.235	10	20	DGCD	
CCC[C@H](CC)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761185727	QLOINVPTQJQTEX-ZDUSSCGKSA-N	324.808	3.389	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC(F)(F)C1	763587634	DQDXKIFYDKSEAE-CQSZACIVSA-N	323.387	3.274	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCN(C2CCC2)CC1	769410828	FHDPYINJMJKFJR-UHFFFAOYSA-N	313.489	3.347	10	20	DGCD	
CCCCn1cc(CNCc2cccc(OCC)c2O)c(C)n1	773411262	XOHGXOBCNORMQT-UHFFFAOYSA-N	317.433	3.386	10	20	DGCD	
C[C@H](NC(=O)NC[C@H]1Cc2ccccc21)c1ccc(N(C)C)cc1	773614265	SUQRUIGSCUVFQD-WMLDXEAASA-N	323.440	3.453	10	20	DGCD	
CC[C@@H](N[C@H]1COc2cc(OC)ccc2C1)c1ccccc1O	775525835	ODVWRKWAOUPCAZ-RHSMWYFYSA-N	313.397	3.445	10	20	DGCD	
COc1cccc(CCNCc2c(O)cccc2Cl)c1OC	776024817	XITJRIOHBUPQMH-UHFFFAOYSA-N	321.804	3.395	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCC2(O)CCC2)c1O	779024488	NTQGDFDZJNXJGC-JTQLQIEISA-N	314.223	3.029	10	20	DGCD	
CC/C(C)=C(\C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	780966307	ZFFUWPKPYARPES-BUHFOSPRSA-N	320.408	3.229	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCCOC2)cc1F	781335842	JWISSEDDCRPQAM-GOSISDBHSA-N	322.424	3.105	10	20	DGCD	
CC(=O)Nc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)cc1	781895919	YWWIQCGKXXFBGE-ZDUSSCGKSA-N	310.397	3.431	10	20	DGCD	
CCOC(=O)[C@@H](CC)N(Cc1ccc(OCC)cc1O)C1CC1	787441733	YXJHDKYPNYMIEL-MRXNPFEDSA-N	321.417	3.097	10	20	DGCD	
Cc1ccc(-n2c(C)cc(C(=O)Cn3ccnn3)c2C)cc1C	806573286	HPPOTZNMAODDNI-UHFFFAOYSA-N	308.385	3.185	10	20	DGCD	
COc1cc(NCc2cc(Cl)cc(Cl)c2O)ncn1	808089899	MLKRAEGRXYHGGV-UHFFFAOYSA-N	300.145	3.110	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)CO[C@@H]2CCOC2)c1O	808702516	YAOCAYZNDPDZHY-SGMGOOAPSA-N	313.825	3.199	10	20	DGCD	
CN(C)CCN(Cc1cccc(F)c1)Cc1cc(F)ccc1O	809738267	VSHFRBURCMKKGF-UHFFFAOYSA-N	320.383	3.234	10	20	DGCD	
CC[C@H]1CC[C@@H](C)N1Cc1ccc(N2CCOCC2)c(F)c1	809768069	BJICKYNCINSRST-ZBFHGGJFSA-N	306.425	3.425	10	20	DGCD	
O=C1OCc2ccc(NCc3cc(Cl)cc(F)c3O)cc21	809788360	IZGOINUTLMDQNJ-UHFFFAOYSA-N	307.708	3.467	10	20	DGCD	
Cn1cnc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1	812824110	SJNLUGOSKWFMGC-UHFFFAOYSA-N	306.329	3.483	10	20	DGCD	
CC(C)C[C@H](CNCc1cc(Cl)c(F)cc1O)C(=O)O	818629925	CWZALSLXQNEVPG-SNVBAGLBSA-N	303.761	3.021	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@H]1CCCN(CC2CC2)C1	827951072	VLJRXFPOQNLYHO-CQSZACIVSA-N	308.853	3.257	10	20	DGCD	
CCN(Cc1ccc(N2CCOCC2)cc1)Cc1occc1C	840969308	BPSQVHJDMQCOLG-UHFFFAOYSA-N	314.429	3.447	10	20	DGCD	
C[C@@H](CCc1ccccc1)NC[C@H](N)c1ccc(N(C)C)cc1	841044572	DIJWMNZSZNUVFA-JXFKEZNVSA-N	311.473	3.363	10	20	DGCD	
COCCCCN(C)Cc1ccc(N2CCC(OC)CC2)cc1	842171001	GXUMKBONGKYAQH-UHFFFAOYSA-N	320.477	3.160	10	20	DGCD	
COc1cc(CN[C@@H]2CCCC[C@H]2O)c(O)c(C(C)(C)C)c1	850135911	SIJORGXGLNNFNP-HZPDHXFCSA-N	307.434	3.091	10	20	DGCD	
C[C@@H](NCc1cccnc1N1CCCC1)c1ccc(F)cc1O	850502016	RGTFWAXVMWIJSB-CYBMUJFWSA-N	315.392	3.377	10	20	DGCD	
Cc1cc(O)nc(C(C)(C)NCc2cc(Cl)c(C)cc2O)n1	862432813	OEPLDJTVXZJDPM-UHFFFAOYSA-N	321.808	3.183	10	20	DGCD	
C[C@@H](NC(=O)NCCCc1cccs1)c1ccccc1O	868467976	RTQKJFBOKPKQLO-GFCCVEGCSA-N	304.415	3.447	10	20	DGCD	
CC[C@@H](NCc1ccc(OC)c(OC)c1O)c1ccncc1	893031961	GHTSDEMMESWCAV-CQSZACIVSA-N	302.374	3.045	10	20	DGCD	
Oc1cc2c(cc1CNCCC1CCC(F)(F)CC1)OCO2	898031833	PFQDTJNWWNDCRN-UHFFFAOYSA-N	313.344	3.426	10	20	DGCD	
CC(C)[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)c1nncn1C	903064067	KIXROOCIXSEZSF-IINYFYTJSA-N	308.813	3.222	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3ccnc(C)c3)CC2)cc1	1137417891	AOZLNCFXZHNRJT-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(C)nc2C)c1	1321036626	BIBRQJYIWMHZBT-LLVKDONJSA-N	300.358	3.364	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2noc(C)n2)cc1F	1324454675	FXKXCOUHQRSBPH-NSHDSACASA-N	306.385	3.214	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@H]1CC[C@H](C2CCC2)CC1	1528771343	NYDHZJLECZYVEN-HDJSIYSDSA-N	303.402	3.321	10	20	DGCD	
Cc1ccccc1[C@H](C(=O)O)N1CCCc2cc(CN)ccc21	1600570447	XFVYTSHDFUKHLR-GOSISDBHSA-N	310.397	3.032	10	20	DGCD	
CCC1CCC(NCc2ccc3c(c2)CCO3)(C(=O)O)CC1	1776736462	FTYANOHHYRWPFQ-UHFFFAOYSA-N	303.402	3.135	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)[C@H]2CC=CCC2)c(C)c1	1776856151	WAFUYZCCUCWPAX-YJBOKZPZSA-N	316.445	3.350	10	20	DGCD	
Cc1ccc(C(=O)CCC(=O)NCc2ccc(N(C)C)cc2)cc1	15134667	YWZGMNGQBPALNZ-UHFFFAOYSA-N	324.424	3.340	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccccc1F	60678768	UPYJVJXGJJSYNI-UHFFFAOYSA-N	300.377	3.093	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1	67731827	LTDJXKRQGQMDIB-CVEARBPZSA-N	314.360	3.229	10	20	DGCD	
C[C@@H](CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1	68513645	QICPPHGUFZENJQ-LSDHHAIUSA-N	316.445	3.137	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1O	74209168	PQQAQMGJMLASFU-YRGRVCCFSA-N	306.406	3.025	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCSC	77621171	CMHAVYZRYJDFDV-UHFFFAOYSA-N	309.479	3.037	10	20	DGCD	
Fc1cccnc1NCc1ccc(N2CCSCC2)cc1	84484380	KYOVMWPMNIWBDN-UHFFFAOYSA-N	303.406	3.386	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C(F)(F)c1ccc(F)cc1	139781847	FDXDMSAJBMTGKP-UHFFFAOYSA-N	309.287	3.282	10	20	DGCD	
C[C@H](N[C@@H](C)c1nccs1)c1ccc(N2CCOCC2)cc1	153301252	ZJEWSIXKBZEAAJ-KBPBESRZSA-N	317.458	3.392	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1	157714600	XFGLFFUEDXRNIC-MJGOQNOKSA-N	301.478	3.278	10	20	DGCD	
C[C@H](NCCc1ccc2c(c1)OCCO2)c1ccc(F)cc1O	170788792	CEAGYDRWXWTVPX-LBPRGKRZSA-N	317.360	3.196	10	20	DGCD	
CCCN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1	171425562	RMYNBDNMAYXSDH-UHFFFAOYSA-N	301.434	3.371	10	20	DGCD	
CC(C)S(=O)(=O)CCSc1ncc(-c2ccccc2)n1C	178555205	DENJBUYHRRINTR-UHFFFAOYSA-N	324.471	3.002	10	20	DGCD	
COc1ccc(O)c(CN2CC=C(c3ccc(O)cc3)CC2)c1	179631151	NJYTUCCTQBXYQW-UHFFFAOYSA-N	311.381	3.396	10	20	DGCD	
CCN(Cc1cc(F)ccc1O)C[C@H](O)c1ccc(C)cc1	180195795	PHZKVPWULMVWKX-SFHVURJKSA-N	303.377	3.395	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2csc([C@H](C)OC)n2)c1	182393125	XVPMLCAXGDENGD-MNOVXSKESA-N	322.430	3.416	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@H](C)c2cc(F)ccc2O)cc1	184916570	PURKTUOSKWWVEK-LLVKDONJSA-N	302.349	3.341	10	20	DGCD	
CC[C@@H](COC)N[C@H](C)c1cc(Br)ccc1O	185503780	NQUAIERDFWLYAS-KOLCDFICSA-N	302.212	3.230	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cccc(Cl)c2C)c1	194775649	WOTYMSOAKYFFIE-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCCO1)c1ccc(Br)cc1O	273429333	VFVOQBJKTAEHBN-PWSUYJOCSA-N	314.223	3.374	10	20	DGCD	
C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1O	276972999	ULSZQIZZWAPDOX-WDEREUQCSA-N	313.344	3.007	10	20	DGCD	
C[C@@H](NC1CCN(c2nccs2)CC1)c1cc(F)ccc1O	281683000	RNEQZYRWJHVVRI-LLVKDONJSA-N	321.421	3.307	10	20	DGCD	
CC[C@@H](NCCNC(=O)c1ccco1)c1cccc(Cl)c1O	287604910	ITTWWSOIRODCBM-CYBMUJFWSA-N	322.792	3.109	10	20	DGCD	
CC[C@@H](NCCCc1nc(C)no1)c1cccc(Cl)c1O	287745044	PVXYSLCFBXXNMP-CYBMUJFWSA-N	309.797	3.411	10	20	DGCD	
Cc1noc([C@H]2CCCCN2Cc2ccc(N(C)C)c(C)c2)n1	293551210	LDPRHDGGZZGOQV-QGZVFWFLSA-N	314.433	3.480	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCc1ccn(-c3ccccc3)n1)CC2	297570771	GPCWUIJYSOXZGA-SFHVURJKSA-N	319.408	3.398	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1cccc(C(N)=O)c1	390293177	IMFLVYZADIMMAV-SWLSCSKDSA-N	310.397	3.138	10	20	DGCD	
CCOCCCCNC(=O)NCc1c(C)c2ccccc2n1C	471679965	NXNLITOMJDDECP-UHFFFAOYSA-N	317.433	3.103	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1nn(C)c2ccccc12	528823028	DYQACJZGCJXWEK-UHFFFAOYSA-N	323.396	3.331	10	20	DGCD	
C/C=C(/CC)C(=O)NCc1ccc(N2CCSCC2)cc1	588574550	PWFVMKOACHYYKP-CQPUUCJISA-N	304.459	3.212	10	20	DGCD	
C[C@@H](NC[C@H]1CCN1Cc1ccccc1)c1ccc(F)cc1O	716177299	MYURXIFNKRWCPQ-RHSMWYFYSA-N	314.404	3.456	10	20	DGCD	
CC(C)[C@@H](NC(=O)c1cc(O)cs1)c1nc2ccccc2[nH]1	732266394	ATXIHAMSFQAHEN-CQSZACIVSA-N	315.398	3.457	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C2CC2)CCC1	752213813	QCWRTWDGLFDNCY-UHFFFAOYSA-N	315.461	3.441	10	20	DGCD	
C[C@@H](NC1CCC2(CC1)OCCO2)c1cc(F)cc(F)c1O	756420060	VSFWWQIMQDKBRE-SNVBAGLBSA-N	313.344	3.007	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cc(F)ccc2F)c1	756549380	NJCCWNFCHHICJC-JTQLQIEISA-N	321.323	3.308	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2CCN(CC3CC3)C2)c2c(O)ccc(F)c21	756554293	ORSBCTBJVGACRU-UXIGCNINSA-N	304.409	3.154	10	20	DGCD	
CC(C)CC1(CNC(=O)NCc2ccc(N(C)C)cc2)CC1	756808907	LYFLDQRQBWGNJK-UHFFFAOYSA-N	303.450	3.378	10	20	DGCD	
COc1cccc(CNC(=O)NCC2CCC(C)(C)CC2)c1O	759684183	RINMTLOAMIULJW-UHFFFAOYSA-N	320.433	3.416	10	20	DGCD	
CS/C=C/C(=O)Nc1c(-c2ccccn2)nc2ccccn12	764270971	CNULKUMKYIQNPX-DHZHZOJOSA-N	310.382	3.212	10	20	DGCD	
CCN(C)c1ccc(CN(C)[C@H]2CCN(CC)[C@@H](C)C2)cc1	773757067	YIFRJURBCFGZNN-LPHOPBHVSA-N	303.494	3.447	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCc3c(F)cccc32)c1O	775070139	WQYSPYKMTODQKA-UHFFFAOYSA-N	318.304	3.011	10	20	DGCD	
Cn1ccnc1[C@H]1CCCN(Cc2c(O)cccc2Cl)C1	775190235	OIBOWUHREBIUSD-LBPRGKRZSA-N	305.809	3.159	10	20	DGCD	
C[C@@H](NCC(=O)OCc1ccccc1)c1ccc(N(C)C)cc1	775833799	MQQCKUJHWWTIAB-OAHLLOKOSA-N	312.413	3.147	10	20	DGCD	
Cc1nn(C)c2ncc(CN[C@H](C)c3ccc(N(C)C)cc3)cc12	776942878	XKALWBVVUJYVSZ-CYBMUJFWSA-N	323.444	3.194	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]1c1cccc(F)c1	779526684	XFUSJHFMMNFRNN-PKYBCLHXSA-N	313.328	3.224	10	20	DGCD	
C[C@@H](NCC1=CCN(C)CC1)c1cccc(C(F)(F)F)c1O	788692751	PURYQPKLMQOKQM-LLVKDONJSA-N	314.351	3.324	10	20	DGCD	
Cc1nc(CN(C)c2ccc(OCc3ccccc3)cc2)n[nH]1	794513274	LJDRJEDKTQSOJJ-UHFFFAOYSA-N	308.385	3.329	10	20	DGCD	
CSC[C@@H](CCO)N[C@@H](C)c1cccc(C(F)(F)F)c1O	815582816	PRTPLFXOPVXKEZ-VHSXEESVSA-N	323.380	3.176	10	20	DGCD	
O=C1NCCc2ccc(NCc3cc(Cl)c(F)cc3O)cc21	816563815	KQPACKCUPZTCPN-UHFFFAOYSA-N	320.751	3.083	10	20	DGCD	
C[C@@H]1COCCN1c1ccc(NCc2cc(F)ccc2O)cc1	817406506	UKPOGXJGQQDKOD-CYBMUJFWSA-N	316.376	3.369	10	20	DGCD	
C[C@@H](NC[C@H]1CCCCN1)c1ccc(N2CCCCC2)cc1	817945853	NINLLWDPKPRFBX-SJLPKXTDSA-N	301.478	3.470	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3CCC34CCC4)C2)cc1	818342102	LOUYAKKCLVVXTL-QAPCUYQASA-N	300.446	3.444	10	20	DGCD	
CC(C)[C@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCO1	823986248	IQDXLJVQAKNHQA-IAQYHMDHSA-N	311.809	3.113	10	20	DGCD	
Cc1cc(O)c(CNCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cc1Cl	825959500	OELSDTCFGFVZLK-RVSPLBMKSA-N	309.837	3.385	10	20	DGCD	
C[C@@H](NC(=O)C1(c2ccc(N(C)C)cc2)CC1)c1ccccc1O	827952636	ZHHXAFQHAYGBJQ-CQSZACIVSA-N	324.424	3.367	10	20	DGCD	
COC(=O)c1cnc(SC[C@H](O)[C@H](C)c2ccccc2)s1	834382645	OJLDZTUCCGAZNY-PWSUYJOCSA-N	323.439	3.186	10	20	DGCD	
CC[C@H](NCc1nc(C2CC2)n[nH]1)c1cc(Cl)ccc1O	834872515	YFRMFNAFYFLPKI-LBPRGKRZSA-N	306.797	3.282	10	20	DGCD	
C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCC1	837490743	KPAAOELBQMCWOS-YOEHRIQHSA-N	317.429	3.336	10	20	DGCD	
CCOc1cc(CNCc2ccc(N(C)C)cc2C)ccc1O	838948125	DCKGWQIISGPSTJ-UHFFFAOYSA-N	314.429	3.455	10	20	DGCD	
CN1CCCc2cc(CNc3ncc([N+](=O)[O-])cc3F)ccc21	840251268	IJRFBVSPYKPLIQ-UHFFFAOYSA-N	316.336	3.123	10	20	DGCD	
CCOCc1cc(CN[C@@H](CC)[C@H](O)C(C)C)ccc1OC	840966492	GNSVIJDSUHPCMM-FUHWJXTLSA-N	309.450	3.117	10	20	DGCD	
CCNCc1cccc(NC(=O)N(C)Cc2ccccc2O)c1	841310677	SPTPVOWSCXZPDL-UHFFFAOYSA-N	313.401	3.166	10	20	DGCD	
COCC1(CN[C@H](C)c2ccc(Cl)cc2O)CCOCC1	841757841	QHJBCJMCYSHYLH-GFCCVEGCSA-N	313.825	3.139	10	20	DGCD	
C[C@H](N[C@@H]1CO[C@H](C)C1)c1cc(Br)c(F)cc1O	842928293	JAIDBDXORDAAFM-VGMNWLOBSA-N	318.186	3.122	10	20	DGCD	
CC(C)c1cc(CNC(=O)NCc2cc(Cl)ccc2O)on1	844973625	LECRNHJHMWMABA-UHFFFAOYSA-N	323.780	3.156	10	20	DGCD	
Cc1cc(Br)c(O)c(CN2C[C@@H]3[C@@H](C2)C3(F)F)c1	846111840	NXQJMMWEXWHUEX-NXEZZACHSA-N	318.161	3.160	10	20	DGCD	
COc1cc(CN[C@@H]2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1	850234562	IHESYCOWPCWSQV-GXTWGEPZSA-N	307.434	3.355	10	20	DGCD	
C[C@@H](N[C@H]1COc2cc(F)ccc2C1)c1ccc(F)cc1O	850537479	QSWGTAZXLZJTME-QMTHXVAHSA-N	305.324	3.325	10	20	DGCD	
C[C@H](NC[C@H](O)[C@H](C)c1ccccc1)c1cc(F)ccc1O	850572133	BLNMGQLIYQCCLZ-VBHSOAQHSA-N	303.377	3.347	10	20	DGCD	
CN(C[C@@H]1CC1(C)C)C(=O)NCCCSc1nccs1	853858102	KUUOFLGEMAXWPS-NSHDSACASA-N	313.492	3.313	10	20	DGCD	
CC(C)CC[C@@H](CO)NCc1ccc(Br)cc1O	862481143	TUDSORXROKPZJP-ZDUSSCGKSA-N	316.239	3.041	10	20	DGCD	
C[C@H]1CN(Cc2cc(F)ccc2O)CC[C@H]1C(=O)OC(C)(C)C	862485140	HSBDAWPSZCKOBZ-SWLSCSKDSA-N	323.408	3.331	10	20	DGCD	
CC[C@H](NC[C@@H](C)CC1(C)OCCO1)c1ccc(F)cc1O	866427308	KAQTZHVDIZMTEK-WFASDCNBSA-N	311.397	3.361	10	20	DGCD	
CC(C)Nc1ccccc1NCc1nnnn1Cc1ccccc1	871846031	OVWWMQQYRNHZMS-UHFFFAOYSA-N	322.416	3.154	10	20	DGCD	
Cc1cccc(O)c1CNCc1cccc(N2CCCC2=O)c1	876928893	QGRNPBBZDOLHNA-UHFFFAOYSA-N	310.397	3.117	10	20	DGCD	
CC(C)(C)c1nnc(CNCc2cc(F)cc(F)c2O)s1	883039762	AONYYOOLESPABY-UHFFFAOYSA-N	313.373	3.109	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc(OC)c(OC)c2O)c1	892633169	AGCNIQCARNHNNI-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
C[C@@H](Cc1cccnc1)NCc1ccc(Br)cc1O	897967254	MAHTWOYGVHUKND-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
Cc1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C2CC2)n1	1116897704	PTLUNLKYQXSCKW-LBPRGKRZSA-N	324.428	3.219	10	20	DGCD	
CNC(=O)Cc1ccccc1NCc1ccc2ccccc2c1O	1117721314	NIFNTKOLLAKHBD-UHFFFAOYSA-N	320.392	3.446	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCCNCc1ccc(OC)c(C)c1	1155875828	SZXJINWMSSEGNR-CQSZACIVSA-N	306.450	3.036	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cnn(CC3CC3)c2)cc1F	1329965110	FSJHNRKWSAVBKU-UHFFFAOYSA-N	306.360	3.249	10	20	DGCD	
Cc1cccc(CN(C)[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1O	1592230124	LYVZEULRRYLRGJ-ZDUSSCGKSA-N	323.400	3.074	10	20	DGCD	
CCCCN1CCC(N[C@@H](C)c2cc(C(=O)O)ccc2O)CC1	1595749691	UAFLKLJTRQRVNX-ZDUSSCGKSA-N	320.433	3.006	10	20	DGCD	
COc1cc(N[C@H](C)c2cc(C(=O)O)ccc2O)cc(OC)c1	1599442475	COGUWIQRMZHRPY-SNVBAGLBSA-N	317.341	3.281	10	20	DGCD	
Cc1nc2ccc(CSc3ncc(C(=O)O)s3)cc2[nH]1	1607970695	VGRGVPJYSQNJBI-UHFFFAOYSA-N	305.384	3.318	10	20	DGCD	
CN(Cc1ccc(CF)cc1)c1ccc(OCC(=O)O)cc1	1610121126	PPBHTWXCKITYQZ-UHFFFAOYSA-N	303.333	3.256	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(Cl)ccc2O)cc1O	92404976	XMERWZLBZGDDFB-UHFFFAOYSA-N	307.777	3.392	10	20	DGCD	
COCCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C	103333849	BPVJGRLBSGUOBE-UHFFFAOYSA-N	302.374	3.073	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCOc1ccccc1	115280405	SANNRPPTYGGIHG-UHFFFAOYSA-N	312.413	3.146	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3ccccc3N)cc2)CC1	120264595	BJLLVINBMROMOD-UHFFFAOYSA-N	323.440	3.435	10	20	DGCD	
CN1CCCN(C(=O)/C=C/c2cccnc2)c2cc(F)ccc21	122902104	OLTOCAVQCSIHPR-VMPITWQZSA-N	311.360	3.107	10	20	DGCD	
CCOCCCCNC1CCN(c2ccc(OC)cc2)CC1	165114812	BMYRCZFABOLUFF-UHFFFAOYSA-N	306.450	3.070	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2nccn2c1	171679252	QXDGHSZQJCCRFW-UHFFFAOYSA-N	322.412	3.063	10	20	DGCD	
CN1[C@H]2CC[C@H]1CN(Cc1cc(C(C)(C)C)cc(O)c1O)CC2	174086556	JLLHCCYRSUXRIS-HOTGVXAUSA-N	318.461	3.064	10	20	DGCD	
Cc1cc(C(=O)N(C)C[C@H](C)O)c(C)n1-c1cccc(Cl)c1	177431584	KKZXNJWPELHZOU-LBPRGKRZSA-N	320.820	3.200	10	20	DGCD	
CCOCc1nnc(NCc2cc(Cl)cc(Cl)c2O)o1	181843058	MOCXPPYQYDLDBQ-UHFFFAOYSA-N	318.160	3.231	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cccc3c2OCCO3)c1	182412020	IHHLZPWEPCKXQW-GFCCVEGCSA-N	315.369	3.023	10	20	DGCD	
COCCCN(C)Cc1ccc(OCc2ccccc2)cc1O	183019320	UNBCMQUSUTWSNS-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
COc1cc(OC)cc(OCCN[C@@H](C)c2ccccc2O)c1	183618598	UDHDQOBUOSEPKT-ZDUSSCGKSA-N	317.385	3.139	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O	185442789	SYNYKVOKXCHIJW-YPMHNXCESA-N	324.396	3.191	10	20	DGCD	
CCCCN1CCC(N[C@H](C)c2cc(OC)ccc2O)CC1	192844589	QYDXLUMOFNZFCD-CQSZACIVSA-N	306.450	3.316	10	20	DGCD	
C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	264340013	WEZXDMDZPWSXMW-WMLDXEAASA-N	301.434	3.275	10	20	DGCD	
Cc1nc(C(C)(C)NCc2cc(Cl)cc(Cl)c2O)no1	264417240	RQOHTGJVBUVLAS-UHFFFAOYSA-N	316.188	3.415	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccc(C)cc2C)c1O	278106795	AIIZVNVHAGGFSV-UHFFFAOYSA-N	316.357	3.216	10	20	DGCD	
CN(C)c1ccc(CNC2(C)CCOCC2)c(C(F)(F)F)c1	280379468	UBZWWUUFQYNZQK-UHFFFAOYSA-N	316.367	3.430	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2cc(C)n(C)n2)cc1	282062857	GVAZUODFIFRAIH-OAHLLOKOSA-N	300.450	3.426	10	20	DGCD	
C[S@](=O)C1(CNCc2cc(-c3ccccc3)ccc2O)CC1	282188352	BUNVIJJERHBYGF-QFIPXVFZSA-N	315.438	3.060	10	20	DGCD	
C[C@H](NC[C@@H]1COc2ccccc21)c1ccc(F)c(F)c1O	290165766	DMYMPRKNLQDJCW-WDEREUQCSA-N	305.324	3.497	10	20	DGCD	
CCn1cc([C@@H](C)NCc2cc(Cl)cc(C(C)=O)c2O)cn1	296159554	SRZQVCGGZZXHAU-SNVBAGLBSA-N	321.808	3.315	10	20	DGCD	
Cc1cccc(N2CCN(Cc3cc(F)ccc3O)CC2)c1	319105540	WWJOVNXFSYPGFV-UHFFFAOYSA-N	300.377	3.162	10	20	DGCD	
COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2sccc2C)c(O)c1	366543037	ZDVXPFIYWUWFCK-KBPBESRZSA-N	317.410	3.191	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(OC(F)F)cc1	588403494	LXVXRXNPONTKJT-WAPJZHGLSA-N	321.279	3.351	10	20	DGCD	
COc1c(F)cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F	588403907	HDPOLICNSSZVER-HYXAFXHYSA-N	321.279	3.037	10	20	DGCD	
C[C@@H]1C[C@H]1c1ccc(CNCc2cc([N+](=O)[O-])ccc2O)o1	725847309	ZQHVJGXOARJMGG-QMTHXVAHSA-N	302.330	3.307	10	20	DGCD	
O=C(N[C@H](c1ccccc1)c1nccs1)c1cc(O)cs1	732287172	OCQXAEFECNRWIG-CYBMUJFWSA-N	316.407	3.430	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2cccc(F)c2)cc1	732410903	MHVSEUKDLJCAQD-UHFFFAOYSA-N	302.393	3.403	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)C(=O)OC(C)(C)C)cc1	733334677	PRRHQMXEWKXQJL-CQSZACIVSA-N	306.450	3.353	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1Cl	740700788	IHXPRQKVUDQQTC-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
CC[C@H](CNC(=O)c1cc(O)cs1)Oc1cccc(C)c1	752815253	DVJVOWVXWLUOFL-CYBMUJFWSA-N	305.399	3.350	10	20	DGCD	
COc1ccc(O)c(CN[C@@H]2CCc3cc(OC)ccc3C2)c1	753574966	GUXVVBSTOQUIAT-MRXNPFEDSA-N	313.397	3.057	10	20	DGCD	
C[C@H](NC[C@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1O	756342806	LDMAQFXVIHADTD-YOEHRIQHSA-N	316.420	3.355	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccc(N(C)C)nc2)C2CC2)cc1	768256313	BTTNLXRKNKQFNC-UHFFFAOYSA-N	324.472	3.378	10	20	DGCD	
CCN(Cc1ncn(-c2ccccc2)n1)c1ccc(OC)cc1	771449533	ZSVRFIRJYCRGNI-UHFFFAOYSA-N	308.385	3.302	10	20	DGCD	
CC[C@@H](N[C@H](CCO)COC)c1ccc(Cl)c(Cl)c1O	775510296	ZWPJNKAMTVIWJL-BXKDBHETSA-N	322.232	3.137	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC=CO2)cc1	780310430	HOVYHURQGIXFAO-QGZVFWFLSA-N	317.433	3.025	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1O	788777023	RVBSYBJTGSJRGF-MNOVXSKESA-N	303.324	3.488	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@H](NCc2ccc(N(C)C)cc2C)[C@H]1C	792977617	MMRXBNAEWWNXAE-MPGHIAIKSA-N	318.461	3.128	10	20	DGCD	
COc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)c(O)c1	794381341	LADWHLKFZRZXJD-UHFFFAOYSA-N	315.413	3.233	10	20	DGCD	
COc1ccc(CNC(=O)c2scc(C)c2Cl)c(O)c1	794382213	ZNIMPHWBKPVXDR-UHFFFAOYSA-N	311.790	3.354	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cccc([N+](=O)[O-])c1Cl	809913161	XDECNZAFNXMSMS-UHFFFAOYSA-N	321.720	3.276	10	20	DGCD	
COc1cc(Cl)c(NC(=O)c2cccc(O)c2O)cc1C	813874733	IYDFHHJIPYHVTP-UHFFFAOYSA-N	307.733	3.321	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@H](CO)Cc2ccco2)c(O)c1	815589294	OGVBZJYNMGSILV-GJZGRUSLSA-N	303.402	3.104	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC3CCC2CC3)c1	815835206	NBTWCMVEAVYRIT-ITDKRANNSA-N	303.402	3.404	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNc1ccc(-n2nccn2)cc1	816525278	MRUBLTQVWBNJRD-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1C[C@H](O)Cc2ccccc21	816594270	WJTVEIWDIKARSN-GFCCVEGCSA-N	307.752	3.108	10	20	DGCD	
COc1ncc([C@@H](C)NCCc2ccc(N)cc2)cc1Cl	817958503	WMPAMLOMWZSPHZ-LLVKDONJSA-N	305.809	3.219	10	20	DGCD	
CC1(C)C[C@H](O)CCN(Cc2cc(Cl)cc(F)c2O)C1	825090881	MATJQWRKARLOBI-GFCCVEGCSA-N	301.789	3.168	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(C)c3c2CCC3)c1O	825702866	GMFTVNUIDAOKAD-UHFFFAOYSA-N	311.381	3.128	10	20	DGCD	
COC(=O)c1cnc(SCCN2CCc3ccccc32)s1	829677954	SOOALKQDTYWAOU-UHFFFAOYSA-N	320.439	3.085	10	20	DGCD	
CC(C(=O)NCc1cccc(Br)c1O)=C1CCC1	831158063	DAKVDFKCPIKZNG-UHFFFAOYSA-N	310.191	3.271	10	20	DGCD	
CC[C@@H](N[C@H](C)Cc1cnn(C)c1)c1cc(Cl)ccc1O	834895946	FROBXCYKNKOHQS-IAQYHMDHSA-N	307.825	3.451	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCCC2(C)C)c1	838473725	BHUOHPKVJXLBFO-CYBMUJFWSA-N	306.406	3.026	10	20	DGCD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NCCCSc1nccs1	838515496	WWJGLZNYEOICON-SMDDNHRTSA-N	313.492	3.359	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c(C)[nH]1	839914606	AILTVVCBKPUUFE-CYBMUJFWSA-N	313.445	3.367	10	20	DGCD	
CC[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Br)cc1O	840822454	UVWKCZLGDHUKMW-BHYNMZESSA-N	314.223	3.373	10	20	DGCD	
CCCN1CC(=O)N[C@@H]1c1cc(Cl)c2ccccc2c1O	840824433	MDFYACDFLJSJKJ-INIZCTEOSA-N	304.777	3.039	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNCCCC(=O)O)cc1	840995490	SANUNJIFMCSRFZ-UHFFFAOYSA-N	318.442	3.339	10	20	DGCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCCc3ccccc32)cc1	841708289	JNFYXDOGTCTXLZ-QGZVFWFLSA-N	323.440	3.231	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1	841836440	OZVXQYBLRLJHRJ-DLBZAZTESA-N	301.434	3.079	10	20	DGCD	
CCCN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCNC1	843053503	ZJFAEEDCPXPPQO-IBGZPJMESA-N	301.478	3.251	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2nc3ccccc3[nH]2)cc1	844400301	ZSWPNEVTKAYMLN-UHFFFAOYSA-N	324.428	3.140	10	20	DGCD	
CN(C)c1ccc(CN(C)c2nnc(C(F)(F)F)s2)cc1	845459096	LYFSBKYNULFHRQ-UHFFFAOYSA-N	316.352	3.259	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CCCC[C@H]2SC)cc1OC	846011244	WLPBPUUPUTYJQX-MLGOLLRUSA-N	311.447	3.173	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCO[C@@H](c3ccccn3)C2)c1O	848915297	VGPNPDQRHVJUCN-SJLPKXTDSA-N	312.413	3.360	10	20	DGCD	
COc1cc(CNCCOCC2CC2)c(O)c(C(C)(C)C)c1	850130311	PWTYOIQVGRERJO-UHFFFAOYSA-N	307.434	3.215	10	20	DGCD	
CCC[C@](C)(O)CNCc1cc(OC)cc(C(C)(C)C)c1O	850133927	OAYBMHWKOGQGIQ-SFHVURJKSA-N	309.450	3.339	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cccc(N(C)C)c2C)c1	860882390	BTZPXJWRQFOOJY-UHFFFAOYSA-N	313.401	3.397	10	20	DGCD	
C[C@@H](NC[C@@H](O)CCc1ccccc1)c1c(O)cccc1F	886588705	XSCIHDKLIHXGKH-HIFRSBDPSA-N	303.377	3.176	10	20	DGCD	
C[C@H](NC[C@H]1CCCN(CC2CC2)C1)c1c(O)cccc1F	886639839	MRBKWGMSHOAFDY-DZGCQCFKSA-N	306.425	3.304	10	20	DGCD	
COc1ccc(CNc2ccc(OC(C)C)nc2)c(O)c1OC	893199240	UCPOQCLFFNUTNO-UHFFFAOYSA-N	318.373	3.204	10	20	DGCD	
COc1ccc(CNc2cnn([C@@H](C)C3CC3)c2)c(O)c1OC	893701353	YCNCBVSJPZHACB-NSHDSACASA-N	317.389	3.189	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	935465430	QURHKTZAWHSNHH-ZVZYQTTQSA-N	318.461	3.381	10	20	DGCD	
CCCC(=O)N1CC[C@H]([C@H](C)NCc2ccc(OC)c(C)c2)C1	1047680957	NZWCYMMKJXMVSN-RDJZCZTQSA-N	318.461	3.130	10	20	DGCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc2cncn12	1116660845	AEABWNDLWCMSSR-CYBMUJFWSA-N	322.412	3.200	10	20	DGCD	
O=C1N[C@@H](c2cc(O)ccc2O)Nc2c1sc1ccccc21	1318850791	OYDGLZAAJOQHCI-HNNXBMFYSA-N	312.350	3.167	10	20	DGCD	
O=C(O)CCC1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1350441558	GBXRRWJVHOWBHA-UHFFFAOYSA-N	316.445	3.364	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1cc(F)c(Cl)cc1C=O	1600831580	FABWIIULIQGYIF-UHFFFAOYSA-N	312.680	3.470	10	20	DGCD	
Cc1cc(Cl)cc(CNCc2ccc(CC(=O)O)cc2)c1O	1607655760	ILVZHWBWVQVLNK-UHFFFAOYSA-N	319.788	3.271	10	20	DGCD	
COCCOc1ccc(NCc2cc(Cl)ccc2O)cn1	36978410	FWLJPUGYTKVSGZ-UHFFFAOYSA-N	308.765	3.078	10	20	DGCD	
CC[C@@H](C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	55530355	AGNQUATXRHXYGX-MCIONIFRSA-N	322.424	3.102	10	20	DGCD	
O=C(CCC(F)(F)F)NCc1c(O)ccc2c1CCCC2	75159552	ONKBYRFOZLEDCK-UHFFFAOYSA-N	301.308	3.230	10	20	DGCD	
CCCCNC(=O)[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1	124927604	IBBWIIHDVJCZLC-CYBMUJFWSA-N	324.852	3.174	10	20	DGCD	
CSCC[C@H](C)NCc1cccc(Br)c1O	125023945	XTJSYTTXSFQAOU-VIFPVBQESA-N	304.253	3.386	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](C)C1	154287913	ZATHBYWULPBKBS-CHWSQXEVSA-N	307.413	3.222	10	20	DGCD	
COc1cc(O)c(CN(C)CCc2ccccc2)cc1OC	159880221	DQPSEFYBUFTOMQ-UHFFFAOYSA-N	301.386	3.084	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@H]2CCCC[C@H]2C)c1O	174339578	ZLNOZVLTFNCGSP-CHWSQXEVSA-N	306.406	3.026	10	20	DGCD	
CC1CCN(c2ccc(CNCc3ccc(CO)o3)cc2)CC1	174372000	WONIREIQXXXBDI-UHFFFAOYSA-N	314.429	3.298	10	20	DGCD	
Cc1ccc([C@H](C)NCCNC(=O)CC2CCCCC2)c(O)c1	186033230	ULQCDTKAOUTWJA-HNNXBMFYSA-N	318.461	3.438	10	20	DGCD	
C[C@H]1CCN(C(=O)/C=C/c2cncc(F)c2)c2c(O)cccc21	186306296	CEMQBGOWOXHRQK-FYJFLYSWSA-N	312.344	3.480	10	20	DGCD	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(O)c1O	186844957	ICXOJPATYVUKMQ-VIFPVBQESA-N	307.296	3.209	10	20	DGCD	
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Cc1ccc(N)cc1	237392925	SISMIKNDQSUXRA-BLVKFPJESA-N	312.388	3.390	10	20	DGCD	
Nc1ccc(CC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1	237903290	VPCJXLBTOSMEKU-FXAWDEMLSA-N	324.424	3.095	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C\Sc2ccccc2)c1	255268329	UHOKPYCGPWNDIE-KTKRTIGZSA-N	315.394	3.323	10	20	DGCD	
CCC(C)(C)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	265524029	NQHJJVZFBNVCLQ-DHZHZOJOSA-N	316.445	3.183	10	20	DGCD	
CC[C@H](NCCCN(C)CCOC)c1cccc(Cl)c1O	287899363	ZMPVTFBDSGDCPZ-HNNXBMFYSA-N	314.857	3.055	10	20	DGCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCC[C@@H]21	294874459	UBWJWWZCJDOVHR-LUIPGBGBSA-N	301.386	3.148	10	20	DGCD	
COC(=O)c1cnc(SC[C@@H](Cc2ccccc2)OC)s1	295385863	UOXWYMWIBQQRQK-GFCCVEGCSA-N	323.439	3.280	10	20	DGCD	
CC(C)(C)c1ncc(/C=C/C(=O)NCc2ccc(N)cc2)s1	297193626	MDNZZJLJFVNXJH-CMDGGOBGSA-N	315.442	3.352	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1F	298375808	GGMLSMJTUXIMAY-UHFFFAOYSA-N	316.351	3.495	10	20	DGCD	
CCN(Cc1ncc(Cl)n1C)c1ccc(OC)c(OC)c1	299303682	ZKVOOKCCIRYJHX-UHFFFAOYSA-N	309.797	3.117	10	20	DGCD	
CSCCN[C@@H](C)c1cc(Br)cc(C)c1O	309837038	BOMLBHMVBIZSCP-VIFPVBQESA-N	304.253	3.477	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1	319788011	MQYJQLLRGOQPQC-VXGBXAGGSA-N	311.385	3.282	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	383586751	BCYHOFXFRMFCGL-VAFIWLDWSA-N	304.346	3.317	10	20	DGCD	
CO[C@H](C1CC1)[C@H](C)NCc1cc(Br)ccc1O	388233761	NMQCMXJIQZAHKB-XPTSAGLGSA-N	314.223	3.058	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccccc2C)c1	528863744	PRVXIXFREFQEEW-CQSZACIVSA-N	313.397	3.204	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=S)NCC(C)C)cc1	730595927	CQHBWXXJIRYTTO-UHFFFAOYSA-N	307.507	3.495	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccnc1	731969166	QYNFHMDGAYEFKL-UHFFFAOYSA-N	311.429	3.127	10	20	DGCD	
O=C1N[C@@H](c2cccc(O)c2O)Nc2c1sc1ccccc21	742442723	YNSTYBLVGFZFBW-HNNXBMFYSA-N	312.350	3.167	10	20	DGCD	
C[C@H](CNC(=O)c1cc(O)cs1)Oc1ccccc1Cl	743717341	AVEODYRHGXIGHI-SECBINFHSA-N	311.790	3.304	10	20	DGCD	
CN1CCCc2cc(CNC(=O)Cc3ccc(F)cc3)ccc21	746809266	QIOMTXUGADCEAK-UHFFFAOYSA-N	312.388	3.067	10	20	DGCD	
Cc1cc(OCC(=O)NCc2ccccc2O)ccc1Cl	748354302	YYBPFLIWHLNOEN-UHFFFAOYSA-N	305.761	3.049	10	20	DGCD	
Cc1ccc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c(O)c1	756707568	JJZPXMCZXNIMHJ-CYBMUJFWSA-N	316.357	3.338	10	20	DGCD	
C[C@H](NCCOC1CCC1)c1ccc(Br)cc1O	756837266	GBGXAJJYQCQRBF-JTQLQIEISA-N	314.223	3.374	10	20	DGCD	
CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CCF	759349292	YQCOQGVBRBRIOB-UHFFFAOYSA-N	308.397	3.433	10	20	DGCD	
CCOCc1cc(CNC[C@H]2CCO[C@H](C)C2)ccc1OC	770738330	HBJWYSYFFCXQCU-ZBFHGGJFSA-N	307.434	3.136	10	20	DGCD	
CC[C@@]1(C)CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	774883698	ISBFWLGXDPMZRM-INIZCTEOSA-N	308.378	3.321	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(C)c(F)c2)c1O	774916704	WKDKLKYVCSEWGO-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCCCC2CCCC2)c1O	774941001	GLQPKQRDIINHGT-UHFFFAOYSA-N	308.378	3.369	10	20	DGCD	
CC[C@@H](NC[C@@H](O)COCC(C)C)c1cc(Cl)ccc1O	775487815	DXJDXVGEWQRERF-UKRRQHHQSA-N	315.841	3.120	10	20	DGCD	
CC[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O	775526081	IXJXSBXHNBXLSR-GXTWGEPZSA-N	324.852	3.486	10	20	DGCD	
O=[N+]([O-])c1c(F)cccc1NNC(=S)Nc1ccccc1F	790606457	DDYGKHLWBJIALM-UHFFFAOYSA-N	324.312	3.187	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCOC1	793134591	UOPSMDWJCNLRBN-KRWDZBQOSA-N	318.461	3.306	10	20	DGCD	
COc1cc(NC(=O)c2ccc(C)c(O)c2O)c(C)cc1C	794366650	QYMVGCGMHHXIMM-UHFFFAOYSA-N	301.342	3.284	10	20	DGCD	
C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1cc2c(cc1O)CCCC2	795697246	CAJNXWKHSXNFNK-DNVCBOLYSA-N	314.473	3.330	10	20	DGCD	
COc1cc(O)c(CNCC2CCC(F)(F)CC2)cc1OC	800536271	QDTYKWQTXGLEGS-UHFFFAOYSA-N	315.360	3.325	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCOC1	801545329	NKBMJBIGQYIKCM-HNNXBMFYSA-N	305.418	3.338	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1ncnn1CCC	801595435	BFPHQOVNSQFMDG-UHFFFAOYSA-N	302.422	3.196	10	20	DGCD	
CN(C)c1ccc(CN(C)c2nc(C(F)(F)F)ns2)cc1	804329351	HIZMGCYSARQWEG-UHFFFAOYSA-N	316.352	3.259	10	20	DGCD	
CCN(C[C@@H](O)Cc1ccc(F)cc1)c1ccc(OC)cc1	815066436	PAJYZTLHFUHJFQ-KRWDZBQOSA-N	303.377	3.264	10	20	DGCD	
COC(=O)[C@H]1CCCCCN1Cc1cc(Cl)c(F)cc1O	816565805	BXLVIPGYLBKNOA-CYBMUJFWSA-N	315.772	3.102	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cc(F)ccc1F	817938709	QRYXASOMJKFDNM-SGTLLEGYSA-N	319.399	3.381	10	20	DGCD	
CCN[C@H](C)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	817972074	JOAFMCDLEPTMFD-HUUCEWRRSA-N	307.457	3.465	10	20	DGCD	
Cc1n[nH]cc1CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1	824046089	IFSZRVBPMCMQNA-UHFFFAOYSA-N	322.412	3.398	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(F)c(N)c2)cc1	827340472	BNCOCOJMELELCG-UHFFFAOYSA-N	315.392	3.184	10	20	DGCD	
CCCC[C@H](CC)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832272527	GLYNJLLAEIZMKY-MAUKXSAKSA-N	319.493	3.475	10	20	DGCD	
Cc1cncc(/C=C/C(=O)N2CCCc3c(C(=O)O)cccc32)c1	832985934	CVOKVQOUBZCPRJ-BQYQJAHWSA-N	322.364	3.081	10	20	DGCD	
CC[C@@H](NCc1nc(C(C)C)n[nH]1)c1ccc(N(C)C)cc1	834869745	FWPZKCMYPYGDCS-OAHLLOKOSA-N	301.438	3.235	10	20	DGCD	
C[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc2ccccc2c1O	834913673	IRIMGHWCWWWQDH-DHSIGJKJSA-N	324.424	3.349	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)c1	837483556	BXLYLLFJWLFKPE-SGTLLEGYSA-N	305.418	3.479	10	20	DGCD	
Cc1cc(CCNCc2cnccn2)c(C)n1-c1ccccc1	838894683	IRCCXUHQAYBYNQ-UHFFFAOYSA-N	306.413	3.216	10	20	DGCD	
C[C@H](NCc1nccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1	840868198	VXGGYBUTHJXWNP-NSHDSACASA-N	324.350	3.412	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H]1c1cn(C)nc1C	840919819	OTLWDYKFCDKHCD-IBGZPJMESA-N	312.461	3.440	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@]1(C)CCO[C@H]1C1CC1	840937133	HWEZEORQJVZLKC-RBUKOAKNSA-N	302.462	3.356	10	20	DGCD	
Cc1ccc([C@@H](CNC(=O)Nc2ccc(N)cc2)N(C)C)cc1	841301363	MMUTXXIVLZBUAW-QGZVFWFLSA-N	312.417	3.002	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C2=C(C)CCC2)cc1	844854439	KVBBCDLCFGQARR-UHFFFAOYSA-N	302.418	3.090	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2nnc(C(F)(F)F)s2)c1	845486503	QHBBVGPXPOUJRY-ZCFIWIBFSA-N	319.308	3.444	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](CO)C2CCCCC2)c1O	846171730	VXGPXIZRQJQSBK-UKRRQHHQSA-N	307.434	3.240	10	20	DGCD	
COc1ccc(CNc2cnn(CC(C)C)c2C)c(O)c1OC	893294716	JJKNENXFUSPIDU-UHFFFAOYSA-N	319.405	3.182	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCCC[C@@H]2C(=O)O)cc1	902039303	SLDQPZHGPZXZRK-QGZVFWFLSA-N	304.434	3.362	10	20	DGCD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(O)cc1O	910946963	XGWVBZISZVTDCH-DLBZAZTESA-N	311.381	3.080	10	20	DGCD	
CC(C)SCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	914469881	JIFJGLPCUJMDEM-UHFFFAOYSA-N	306.475	3.385	10	20	DGCD	
COc1ccc(CNC[C@@](C)(O)c2cccc(F)c2)cc1C	922567793	VRLFPADMFDMMGR-GOSISDBHSA-N	303.377	3.140	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cnn(C)n2)c(C)n1-c1ccccc1	926763541	AYHPBQZYBPVUTP-CQSZACIVSA-N	309.417	3.073	10	20	DGCD	
Cc1cc(CN[C@H]2C[C@@H](C)n3ncnc32)c(C)n1-c1ccccc1	926765516	WXCBZVQBQDFYBW-KDOFPFPSSA-N	321.428	3.481	10	20	DGCD	
CCOC(=O)C[C@@H]1CCCN1Cc1ccc2ccccc2c1O	1324337613	SVUXVCJNZLPUDM-INIZCTEOSA-N	313.397	3.463	10	20	DGCD	
NC(=O)CCc1ccc(NCc2c(O)cccc2Cl)cc1	1333981251	JUJHVLOUIDZJOY-UHFFFAOYSA-N	304.777	3.076	10	20	DGCD	
CCc1cccc(CN2CCC([C@H]3CCCNC3)CC2)c1O	1578266229	FQDVBZPBCNCKJL-KRWDZBQOSA-N	302.462	3.166	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(CC)C2CC2)cc1F	66979156	CWQZDJFACVVDFD-UHFFFAOYSA-N	307.413	3.366	10	20	DGCD	
Cc1cc(C(=O)NCCCO)c(C)n1-c1ccc(C(C)C)cc1	97176142	PMNQMQRRQQEZFV-UHFFFAOYSA-N	314.429	3.330	10	20	DGCD	
CC[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(N(C)C)cc1	126059726	SAOYEQVDTKLEGC-MSOLQXFVSA-N	311.429	3.020	10	20	DGCD	
CCOc1cccc(CN(C)CCOc2ccccc2)c1O	154738937	COABTBGXMLYTPA-UHFFFAOYSA-N	301.386	3.302	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(F)cc1O	170788861	KITUQPOQTODPKT-LLVKDONJSA-N	303.333	3.153	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc3[nH]ccc23)c1	176152278	LEDBYJCZXRAGDL-NSHDSACASA-N	310.353	3.373	10	20	DGCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1F	181298122	FMOFEPYSTJUMPC-QEHWCHDUSA-N	319.307	3.267	10	20	DGCD	
C[C@@H](NC1CCC2(CC1)OCCO2)c1cc(Cl)ccc1O	185052219	BOSURPVZOCCYJR-LLVKDONJSA-N	311.809	3.382	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@H](C)c2ccc(F)c(F)c2O)cc1	191213105	GFJLRZHTXGULPW-IAQYHMDHSA-N	307.340	3.363	10	20	DGCD	
COc1ccc([C@H](O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1	268755260	LJWAEULXUFJHBM-IFXJQAMLSA-N	314.429	3.145	10	20	DGCD	
CCCOc1ccc(CNCCC(OCC)OCC)c(O)c1	276090710	HRFUYLIJVHWPSX-UHFFFAOYSA-N	311.422	3.060	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1	277442275	OKIIOJJHGFIRRG-NWDGAFQWSA-N	318.421	3.273	10	20	DGCD	
Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(O)c3O)C2)cc1	278916140	JYXHWADYQHVJAZ-ZFWWWQNUSA-N	311.381	3.424	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)CSC	282081102	HQHOOQCYWBDKDK-UHFFFAOYSA-N	308.491	3.490	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](CC)COC	283626535	HTGDWSKRYNKUMM-OAHLLOKOSA-N	308.422	3.129	10	20	DGCD	
CC[C@H](CN[C@H](C)c1cc(Br)ccc1O)OC	290184484	NTZHRQCVXZWCEX-MWLCHTKSSA-N	302.212	3.230	10	20	DGCD	
CCCc1nsc(NCc2ccc(N3CC=CC3)cc2)n1	292562950	JSJHMRHEQOFCNK-UHFFFAOYSA-N	300.431	3.479	10	20	DGCD	
Oc1cccc2c1[C@@H](N[C@H]1CCN(Cc3ccccc3)C1)CC2	295867348	GYAXHPNXZIROKE-ROUUACIJSA-N	308.425	3.244	10	20	DGCD	
COC1(C)CCN(Cc2cccc(Br)c2O)CC1	311166642	QWVBDHXNDRPJJA-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccccc2O)[C@]12CCCO2	364338593	BDAVBMJSUJENQV-DZJNRPSUSA-N	305.418	3.160	10	20	DGCD	
CC[C@@H](N[C@H]1CCc2nc(C)ncc2C1)c1ccc(F)cc1O	367599892	ILCJFBRUNRWKKN-GOEBONIOSA-N	315.392	3.228	10	20	DGCD	
O=C(O)[C@H](NCc1cc(Cl)cc(Cl)c1O)C1CCC1	399210886	PXYKFRRDZRRRJF-LLVKDONJSA-N	304.173	3.042	10	20	DGCD	
Cc1c(CNC(=O)NCCC(F)(F)F)n(C)c2ccccc12	471976824	GEOGDEFTWATQBM-UHFFFAOYSA-N	313.323	3.238	10	20	DGCD	
C[C@@H]1O[C@H](C)C[C@@H]1CNCc1cccc(Br)c1O	686514134	XMLMVTDIUWWHNG-JFGNBEQYSA-N	314.223	3.058	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)c(C)c2)c1	728979497	WTUMOGHJWIXCRX-NSHDSACASA-N	303.333	3.339	10	20	DGCD	
CSCCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C	749563953	OJJVCRPDGXRJPR-UHFFFAOYSA-N	302.443	3.495	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C	750826904	UBWXMYMEQWXKHN-CVEARBPZSA-N	323.408	3.369	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CN(C3CC3)C[C@H]2C)c2c(O)ccc(F)c21	756644442	AGGLJAWMJFRHEW-HKCMKHECSA-N	304.409	3.152	10	20	DGCD	
COc1ccc2c(c1)OC[C@@H](N[C@H](C)c1ccc(C)cc1O)C2	756776233	XISLTPULYXWZOF-HIFRSBDPSA-N	313.397	3.364	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCCCC(F)(F)F	759598981	ZZNPZIOLCCHARS-GQCTYLIASA-N	304.264	3.387	10	20	DGCD	
COc1cccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773013557	GWZDSPCHPPLDMY-AWEZNQCLSA-N	312.413	3.181	10	20	DGCD	
CCC[C@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773087194	GYEGWNPEGCMEGA-KBPBESRZSA-N	312.479	3.169	10	20	DGCD	
C[C@H](NC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccc(N(C)C)cc1	773610015	BTAFVGSSTJOWIX-KGLIPLIRSA-N	319.449	3.023	10	20	DGCD	
CC[C@H](N[C@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1O	775522394	OIQKZZAUSSJHST-JSGCOSHPSA-N	305.809	3.367	10	20	DGCD	
CC(C)(C)OCC(=O)NCc1ccc(N2CCCCC2)cc1	778249774	CGSHLKVCIYMXNG-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2Cl)c(O)c1O	780891852	AKGSSTQJXVSJGS-NSHDSACASA-N	319.788	3.421	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)C[C@H](C)O)c1C	783628245	APEKNOVFTJWZKR-HIFRSBDPSA-N	314.429	3.292	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC([C@@H]2CCOC2)CC1	784005282	KHRJPOOXYKZUKK-MRXNPFEDSA-N	312.413	3.189	10	20	DGCD	
Cc1cccc(NC(=S)NNc2cccc(F)c2[N+](=O)[O-])c1	790610210	XQXUSQFEFCXURI-UHFFFAOYSA-N	320.349	3.356	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@@H](NCc2ccc(N(C)C)cc2C)[C@H]1C	792977618	MMRXBNAEWWNXAE-RLFYNMQTSA-N	318.461	3.128	10	20	DGCD	
C[C@@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(O)c(O)c1	802784932	USILAMRCXAOFRG-ZDUSSCGKSA-N	324.380	3.005	10	20	DGCD	
C[C@@H](NC[C@@H]1NCCc2ccccc21)c1ccc(F)cc1O	817975864	YZGWWVNJTBGFNT-PXAZEXFGSA-N	300.377	3.069	10	20	DGCD	
CCN(Cc1ccc(Br)cc1O)C[C@@H]1CCOC1	824575656	LRWRAFDIDVHMQD-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F	824715102	HQNLEOBRZORQCM-YXJHDRRASA-N	306.425	3.017	10	20	DGCD	
COc1cc(CN(C)CCCN(C)C)c(O)c(C(C)(C)C)c1	825903825	SWGRNGSUDXMXQI-UHFFFAOYSA-N	308.466	3.082	10	20	DGCD	
Cc1nnc(CN(C)Cc2cc(Cl)cc(Cl)c2O)s1	827798044	FNAAVVQYBXSRLL-UHFFFAOYSA-N	318.229	3.491	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1	827908672	QAYGRCLDVFUUGM-UHFFFAOYSA-N	316.376	3.004	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(O)cs1	839920032	ZURLCBNVGUCKFY-GFCCVEGCSA-N	318.442	3.189	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1CN	841100275	AQYPQJARHGPTTP-WMZOPIPTSA-N	301.478	3.094	10	20	DGCD	
COc1ccc(CNC[C@H](Cc2ccccc2)C(=O)O)cc1C	841795254	PHRNPBVRWIXTAQ-KRWDZBQOSA-N	313.397	3.037	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)C4CCOCC4)ccc31)CCCC2	843019444	ROYZARUSFRRWKV-UHFFFAOYSA-N	313.397	3.389	10	20	DGCD	
CS[C@H]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1	845011607	DWCOECUOSWYSIA-RYUDHWBXSA-N	314.838	3.129	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2ccc3c[nH]nc3c2)c1O	846167395	JHYVZIBLZRDYIX-GFCCVEGCSA-N	311.385	3.170	10	20	DGCD	
Cc1ccc(O)c(CNC[C@H](O)Cc2cccc(Cl)c2)c1	873179514	KWZFBBRAMRHKLM-MRXNPFEDSA-N	305.805	3.047	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCCCCCCN(C)C)c1	875158952	VCKGTFOOGJHWMI-UHFFFAOYSA-N	321.465	3.012	10	20	DGCD	
Cc1ccc(CN2CCC[C@H](OCC(F)(F)F)C2)c(O)c1	876611799	RYOYCFPVECWLCJ-ZDUSSCGKSA-N	303.324	3.244	10	20	DGCD	
CN(C(=O)c1cn(C)nc1C1CCCCC1)c1ccc(N)cc1	877078614	WTZSYMZHJIYRGX-UHFFFAOYSA-N	312.417	3.327	10	20	DGCD	
CCc1cccnc1NCc1ccc(N2CCC(O)CC2)cc1	877162375	ZFNVLEUCNMQFJD-UHFFFAOYSA-N	311.429	3.217	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1	894092803	BYQSZQFJSDSPRI-SJKOYZFVSA-N	322.399	3.119	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCC[C@@H](C(F)(F)F)C1	910951643	JZWNERZHMZUYCY-GXSJLCMTSA-N	317.307	3.083	10	20	DGCD	
Oc1cc2c(cc1CN1CCc3ccc(Cl)cc3C1)OCO2	1319657746	YJWVYVDQTSNDHI-UHFFFAOYSA-N	317.772	3.333	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cnn(C)c2C2CC2)cc1F	1351767308	JOKVIBAACQSEFS-UHFFFAOYSA-N	306.360	3.254	10	20	DGCD	
C[C@]1(NCc2c(O)ccc(Cl)c2F)CCCC[C@H]1C(=O)O	1594059982	IUQZAIGSKXSYIL-BONVTDFDSA-N	315.772	3.308	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cc(C(=O)O)n(C)c1	1599628214	HUNQIMTZHAFYLS-UHFFFAOYSA-N	314.385	3.075	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cccc(C(C)=O)c1F	1605881088	FZBTTYZPSGQMMR-UHFFFAOYSA-N	306.289	3.461	10	20	DGCD	
CCN1CCc2cc(CN[C@@H]3CCC[C@H](C(=O)O)CC3)ccc21	1776877510	PANPZQQHDFIUKP-DOTOQJQBSA-N	316.445	3.192	10	20	DGCD	
CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)cc1O	99469	OPECAIAUVAIHJJ-QGZVFWFLSA-N	312.369	3.377	10	20	DGCD	
Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F	18150698	LYKZDLNEKNZYNQ-UHFFFAOYSA-N	300.377	3.472	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc(Br)c1	37846067	XSAAKRLVKZMRFD-UHFFFAOYSA-N	320.186	3.427	10	20	DGCD	
CCc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1	128549725	UAIUDPQNKPXDGW-UHFFFAOYSA-N	300.358	3.024	10	20	DGCD	
C[C@@H](C[C@H](O)c1ccco1)NCc1ccc(N(C)C)c(F)c1	130601592	BGOLDTSIJUFFEU-LRDDRELGSA-N	306.381	3.087	10	20	DGCD	
CCCN(CC(F)F)C(=O)NCc1ccc(N(C)C)c(F)c1	155140509	GBAJCJPDYWXLGH-UHFFFAOYSA-N	317.355	3.078	10	20	DGCD	
CCn1nccc1CN(Cc1ccco1)Cc1ccccc1O	156412036	HZJQNDIBSRXDPD-UHFFFAOYSA-N	311.385	3.404	10	20	DGCD	
CC[C@@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O	156781184	NNRFVIFKOUESMJ-YSVLISHTSA-N	307.459	3.488	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC(N2CCCCC2)CC1	158025489	UPMQTVUQKKXRFZ-UHFFFAOYSA-N	308.853	3.496	10	20	DGCD	
CN(Cc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2	178879308	AOBAGZRRHMNTKM-UHFFFAOYSA-N	309.325	3.102	10	20	DGCD	
Cc1cccc(C(C)(C)NC(=O)/C=C/c2ccc(O)c(O)c2)c1	180796663	NBXSBUGCFLEBCS-CSKARUKUSA-N	311.381	3.471	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)c2ccc(C)cc2)c1	182324653	VUIBCCZHEGMWLE-ACJLOTCBSA-N	301.386	3.093	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCCCn2cc(C)cn2)c1	182369009	QMLRHCSSNKTSBL-HNNXBMFYSA-N	317.433	3.427	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](OC)c2ccccc2)c1	185101909	JBWVEXFXVSRCKB-FZKQIMNGSA-N	301.386	3.439	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](C)N2CCC(C)CC2)c1	185227411	CZFALPPDSJLXRN-GJZGRUSLSA-N	306.450	3.172	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ncc(C(C)C)s2)c1	192394169	KMRHTWPRZRTOOB-UHFFFAOYSA-N	321.402	3.302	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC2CCN(C(C)(C)C)CC2)c1	193929057	YHJNNTJOKWAEEC-CYBMUJFWSA-N	306.450	3.314	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](C)CN2CCCCC2)c1	194190358	ACCLFSRANQPSLA-GJZGRUSLSA-N	306.450	3.173	10	20	DGCD	
O=C1Nc2ccc(F)cc2/C1=C/c1ccc(N2CCOCC2)cc1	255108512	SQNFVEJULQSIHN-BOPFTXTBSA-N	324.355	3.155	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(CCCC2)CC1	272366378	CRYXTNWOTLKUPF-GQCTYLIASA-N	301.386	3.294	10	20	DGCD	
C[C@@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccccc1O	272872662	PALOAFCBKDSXPS-CYBMUJFWSA-N	310.397	3.135	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@H](CO)Cc2ccc(F)cc2)c1	273437593	XNPCJOZMIJQNEX-GDBMZVCRSA-N	317.404	3.342	10	20	DGCD	
CCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1	278941399	XUARQRFBHXDCRT-UHFFFAOYSA-N	302.330	3.484	10	20	DGCD	
C[C@H](NCC[C@@H](C)CCO)c1cc(Br)ccc1O	297401197	SMNNYAPLLKLNTC-MNOVXSKESA-N	316.239	3.214	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3CC(C)C3)ccc21	352295467	RGKJWMVXTNLLHN-UHFFFAOYSA-N	314.429	3.433	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N)cc2)CCN1Cc1ccccc1	382664935	LNFLCYNSIPQIFT-KRWDZBQOSA-N	309.457	3.365	10	20	DGCD	
C[C@H]1SCC[C@@H]1NCc1cc(Br)cc(F)c1O	715790714	CPEDUIZJLADCJG-HQJQHLMTSA-N	320.227	3.277	10	20	DGCD	
O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(O)cs1	731863785	DZGCLPPOXTYCJL-CYBMUJFWSA-N	320.414	3.004	10	20	DGCD	
CC(C)(C)C[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	756367898	WZQYEHDPBXVYHM-JTQLQIEISA-N	303.761	3.164	10	20	DGCD	
C[C@@H](NCC1(O)CCCC1)c1cc(Br)ccc1O	756575936	RJKADMDBHUQCJL-SNVBAGLBSA-N	314.223	3.110	10	20	DGCD	
CO[C@]1(C)C[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1(C)C	756627231	SOEQTHSPLQIKAB-DRZCJDIDSA-N	308.378	3.155	10	20	DGCD	
C[C@H](NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccccc1O	760040453	KHYRGGQCVNAZLB-IRWQIABSSA-N	315.388	3.348	10	20	DGCD	
CC1(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	760476166	OYBQRJYSNGKUCY-HNNXBMFYSA-N	303.402	3.090	10	20	DGCD	
C[C@H](c1ccsc1)N1CCN(C(=O)c2cc(O)cs2)CC1	765865933	OHKYGEJZJYQXLL-LLVKDONJSA-N	322.455	3.034	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)C(C)C	775663386	AELYGXVGXQWWSI-KRWDZBQOSA-N	303.494	3.305	10	20	DGCD	
CO[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	776240410	VNXCJMHPXKSCNV-RHSMWYFYSA-N	319.449	3.024	10	20	DGCD	
CCC1(CC)CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	776771656	LPHLURXJYXLNTM-MRXNPFEDSA-N	305.418	3.220	10	20	DGCD	
COc1cc(CN2CCC[C@@H](OCC3CC3)C2)c(O)cc1C	777550180	FXZCPMKEWAZZIQ-MRXNPFEDSA-N	305.418	3.100	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)CCN2C	778327515	XRHIVSRYIBHGNR-UHFFFAOYSA-N	323.440	3.017	10	20	DGCD	
C[C@@H](N[C@H]1CCn2ccnc2C1)c1ccc2ccccc2c1O	779061702	MKQKFBRFEWURGK-HIFRSBDPSA-N	307.397	3.408	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](O)C1CCCCC1	783666094	GQXPMBWNYXIDJT-KRWDZBQOSA-N	305.418	3.072	10	20	DGCD	
Cc1cc(/C=C2\SC(=S)N(C)C2=O)cc2cccnc12	783699304	VMFJIUFBQHZXLA-WQLSENKSSA-N	300.408	3.374	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCCc1ccc(O)c(F)c1	787121874	QQXHXYPEKQDNLV-UHFFFAOYSA-N	317.360	3.218	10	20	DGCD	
Oc1ccccc1CN(CCOCC(F)F)Cc1ccco1	787261231	RVKYMPYPYHXXTJ-UHFFFAOYSA-N	311.328	3.269	10	20	DGCD	
CN(C)Cc1cc(NC(=O)c2cc(O)cs2)ccc1Cl	799186826	HLIVZIFRVSDEIN-UHFFFAOYSA-N	310.806	3.421	10	20	DGCD	
COc1cccc(O)c1CNc1ccc(C(=O)NC(C)C)cc1	809635219	DQNHJFJCSFMRAD-UHFFFAOYSA-N	314.385	3.151	10	20	DGCD	
COc1cccc(O)c1CNC[C@]1(C)OCCc2sccc21	810170326	IQEGDNANKHMLDL-KRWDZBQOSA-N	319.426	3.040	10	20	DGCD	
Cc1cc(NCCc2ccc(O)c(O)c2)ncc1Br	811811594	YHBUPJAXVCGBBZ-UHFFFAOYSA-N	323.190	3.218	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CCNCC[C@H]3C)cc2)CC1	817902384	PAXUKAJZPJKRNC-XLIONFOSSA-N	315.505	3.401	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1	817938794	SLMGXSZXBPVSCA-UGSOOPFHSA-N	301.409	3.242	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(CC)cc1	819761690	ZLMHYHFJGBKSDN-UHFFFAOYSA-N	318.413	3.299	10	20	DGCD	
CCC[C@@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1	822819685	YBBMXWKGFLBZGJ-QGZVFWFLSA-N	304.434	3.108	10	20	DGCD	
Cc1cnn([C@H]2CCN(Cc3cc(Cl)c(C)cc3O)C2)c1	825955726	PVIBZEQVOUHBIO-AWEZNQCLSA-N	305.809	3.306	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)cc1	836417324	GWSSOHXRZMKYQJ-CGTJXYLNSA-N	316.445	3.107	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CCC1CC1	840478679	AYWVSTRVMHAAHA-OAHLLOKOSA-N	317.477	3.434	10	20	DGCD	
CC(C)c1cnc(NC(=O)NCCc2ccc(N)cc2)s1	841216902	MMRIGFQEIGNIHP-UHFFFAOYSA-N	304.419	3.213	10	20	DGCD	
CC[C@H](C)[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841953949	GNLCUBVGAVXSMD-YOEHRIQHSA-N	303.450	3.422	10	20	DGCD	
CCCC[C@@H](CC)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	843299832	XGBHRFMGYAOBLP-PBHICJAKSA-N	305.466	3.085	10	20	DGCD	
CC[C@H](C(=O)NCCc1ccc(N)cc1)c1ccc(OC)cc1	844164389	FGDBTCUNINMIDK-SFHVURJKSA-N	312.413	3.130	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)[C@@H](O)c2cccc(F)c2)c1O	846153203	FXWQDKCAQBSRMO-XWCIJXRUSA-N	319.376	3.313	10	20	DGCD	
CCS(=O)(=O)CCCCCSc1ncc(Cl)s1	850000567	ZMDXKKXQCHNPCE-UHFFFAOYSA-N	313.897	3.494	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCCOCCF)c1O	853238323	GHCKVAWIWSZJCN-JTQLQIEISA-N	320.202	3.100	10	20	DGCD	
COC[C@@H](C)Oc1ccc(CNCc2cc(C)ccc2O)cc1	858238952	FRVUVDDLBOCKIF-OAHLLOKOSA-N	315.413	3.404	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1O	860241262	QCOUFHDYOSAUPP-JKSUJKDBSA-N	311.381	3.129	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2nc(C3CC3)cs2)c1	860330637	VVHVPYZHKVINDW-UHFFFAOYSA-N	303.387	3.356	10	20	DGCD	
CC(C)c1nocc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	860950933	VVCKAVMSJAFIGC-GFCCVEGCSA-N	301.390	3.355	10	20	DGCD	
C[C@@H](NC(=O)NCCCCCN1CCCC1)c1ccccc1O	868650880	CVIQKKZIQAATHE-OAHLLOKOSA-N	319.449	3.019	10	20	DGCD	
C[C@@H](N(C)Cc1ccc(N2CCC(O)CC2)cc1)C1(C)CC1	876806538	PZICCFUKODSHSQ-OAHLLOKOSA-N	302.462	3.268	10	20	DGCD	
CCN(CCNCc1ccc(C)cc1O)CCC(F)(F)F	877475633	KNHFMGXTVOVANL-UHFFFAOYSA-N	304.356	3.065	10	20	DGCD	
C[C@@H](NCCCN(C)CC(F)(F)F)c1c(O)cccc1F	886504240	XSNJIUZIQLUOKT-SNVBAGLBSA-N	308.319	3.066	10	20	DGCD	
CO[C@@H]1CCOC[C@H]1N[C@H](C)c1cc(Cl)c(Cl)cc1O	903296803	NNBHDDNLINBNJC-IHPUGEDLSA-N	320.216	3.154	10	20	DGCD	
C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc(O)cc1O	910950123	CPFPTTXEVNLYHC-LBPRGKRZSA-N	317.360	3.122	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1noc2c1COCC2	930352814	XUHFBVWXPRUGGY-UHFFFAOYSA-N	316.401	3.255	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCCCC[C@H]2c2ccncc2)cc1	1262603334	FNJLKBJYYMYAFG-SFHVURJKSA-N	324.428	3.491	10	20	DGCD	
CCCN(C)C[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1323322673	MMNMTTXORSQUFL-LJQANCHMSA-N	315.505	3.451	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H](F)Cc1ccccc1	1325346074	RLXQQLMPKOIWBL-NSHDSACASA-N	319.723	3.396	10	20	DGCD	
CC1CCN(C[C@@H]2CCCN(Cc3ccc(N)cc3)C2)CC1	1337834382	RFICMHOWIHJYNA-SFHVURJKSA-N	301.478	3.213	10	20	DGCD	
C[C@H](NCCCNc1ccccc1)c1cc(C(=O)O)ccc1O	1593267130	LJLAUIYTZBKOMC-ZDUSSCGKSA-N	314.385	3.243	10	20	DGCD	
C[C@H]1CC[C@@](NCc2ccc(N3CCCCC3)cc2)(C(=O)O)C1	1776628177	BUBUUWMVWMPEEH-KXBFYZLASA-N	316.445	3.410	10	20	DGCD	
Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(N(C)C)cc1	15832850	OUNYZHWDQFFJGY-UHFFFAOYSA-N	307.397	3.472	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CCN(C2CC2)C1	37649130	CHCWYTLDXHTHGT-SNVBAGLBSA-N	315.244	3.273	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@@H]2CCOC2)c1C	42726940	NHWQUJUHZOZBKK-INIZCTEOSA-N	312.413	3.169	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc3cc[nH]c3c2)cc1F	58731680	XJWBHXGMGZBUSR-UHFFFAOYSA-N	311.360	3.303	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@]2(CCOC2)C1	93820373	QVRLNLPNSGWLDN-AWEZNQCLSA-N	302.201	3.311	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@H](C)[C@@H]1C	118581813	QUOVEJMMOPHHDO-UONOGXRCSA-N	321.490	3.096	10	20	DGCD	
C[C@@H](NCC1(CO)CC1)c1ccc(N2CCCCCC2)cc1	157359503	YVUVLTYFEOKRKG-MRXNPFEDSA-N	302.462	3.490	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@H](c2cccc(F)c2)C1	180060194	KAVSDPDXIYSZPH-KRWDZBQOSA-N	305.324	3.244	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(F)cc2O)cc1	184916111	JJEBZQJZMHSZQJ-NSHDSACASA-N	302.349	3.341	10	20	DGCD	
CC(C)(CNCc1cc([N+](=O)[O-])ccc1O)c1ccccc1	236733136	DZESYULMTVRNEU-UHFFFAOYSA-N	300.358	3.368	10	20	DGCD	
CCCCNC(=O)c1ccc(CNCc2ccccc2O)cc1	236799836	XRGHOBKRTFXXCJ-UHFFFAOYSA-N	312.413	3.212	10	20	DGCD	
CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	236994255	RAFXTGJTBSUHOB-YJBOKZPZSA-N	317.477	3.009	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CCOC1	267519390	FREZVXZRGNQCPE-KRWDZBQOSA-N	318.461	3.306	10	20	DGCD	
CCc1noc(CC)c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273604014	SODYCJPMUAYXSF-SNVBAGLBSA-N	319.361	3.264	10	20	DGCD	
CCCN(Cc1ccccc1O)c1c([N+](=O)[O-])nc(C)n1CC	288783009	FIAHPXNZFIGCCI-UHFFFAOYSA-N	318.377	3.242	10	20	DGCD	
CCN(Cc1nccn1C(F)F)c1ccc(OC)c(OC)c1	299279202	NOJJJHGLYIWWRQ-UHFFFAOYSA-N	311.332	3.322	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1OC(F)F	319629208	PDQXKNKOHXBFMO-LLVKDONJSA-N	320.339	3.290	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](CO)Cc1ccccc1	320934968	RZZMOPOJTCGOSW-PVAVHDDUSA-N	311.425	3.442	10	20	DGCD	
CCC1(NCc2cc(Br)ccc2O)CCOCC1	389433425	VTOHDDXZIIKWHJ-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
Cc1cccc(CN[C@H](C)CN(C)C(=O)OC(C)(C)C)c1O	701862763	ZFRNNBADUXSWJU-CYBMUJFWSA-N	308.422	3.046	10	20	DGCD	
CC(=O)Nc1ccc(CNCc2cc(Cl)ccc2O)cc1	725844276	QWZRZZRRUBNMIW-UHFFFAOYSA-N	304.777	3.294	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@H]3C3CC3)ccc21	728748727	ZBVONAWYEJFRNQ-SFHVURJKSA-N	313.445	3.153	10	20	DGCD	
C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C	729506948	ANKMYEAFTSOXDH-CJNGLKHVSA-N	301.434	3.057	10	20	DGCD	
CC[C@H](C)CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	733312857	IJTVTEMGXWMTQZ-AWEZNQCLSA-N	324.490	3.093	10	20	DGCD	
C[C@@H](NC[C@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1O	756340345	DWWUSEKJJQTFQI-PBHICJAKSA-N	316.420	3.355	10	20	DGCD	
CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc2ccccc2c1O	756775749	SLNVGFYXALSTJA-JLZZUVOBSA-N	312.413	3.111	10	20	DGCD	
C[C@@H](NCCOC1CCC1)c1cc(Br)ccc1O	756838064	LAFAHZVYZWSWHN-SNVBAGLBSA-N	314.223	3.374	10	20	DGCD	
C[C@H]1CC(C)(C)C[C@@H]1NCc1ccc(N2CCOCC2)cc1	766215438	ZYTGEGYGXGMUCE-YJBOKZPZSA-N	302.462	3.438	10	20	DGCD	
CC(C)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768449280	ZABGVBPIQVSICB-GUYCJALGSA-N	305.418	3.076	10	20	DGCD	
CSCCCCCNC(=O)NCc1ccc(N(C)C)cc1C	773646727	YISFKYFLUDJRFQ-UHFFFAOYSA-N	323.506	3.394	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCCC[C@@H]2C)c1O	774982973	HHJHRSUXMNYVDV-NWDGAFQWSA-N	308.378	3.225	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(F)c(F)c2)c1O	775037796	CKXDIVHYDAYKJM-UHFFFAOYSA-N	310.256	3.199	10	20	DGCD	
COc1ccc(N(C)CCCNC(=O)OC(C)(C)C)cc1F	775054994	FEXUMHXPVKGQED-UHFFFAOYSA-N	312.385	3.185	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cccc3nsnc23)c1	775370416	VCXUJNFBLBTRCC-SNVBAGLBSA-N	315.398	3.256	10	20	DGCD	
CC[C@H](NCc1cc(Cl)cc(F)c1O)C1CCOCC1	776231906	KPAQICLTCKFCBY-AWEZNQCLSA-N	301.789	3.480	10	20	DGCD	
CCN(CC)c1ccc(CNC2(CC(=O)OC)CCC2)cc1	777441228	QOODFRMFEWOTQD-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
Cc1ccc2c(c1)SCCCN2C(=O)/C=C\c1cnn(C)c1	778279655	GTEUIMHAGCSFDN-ALCCZGGFSA-N	313.426	3.271	10	20	DGCD	
CCOc1cccc(CNC[C@@H](c2ccnn2C)C(C)C)c1O	788077080	SDQQNUYSBYDKCM-OAHLLOKOSA-N	317.433	3.054	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1c(C)cccc1F	790416435	ZAFYDIINOAEQQM-UHFFFAOYSA-N	309.362	3.203	10	20	DGCD	
COc1cc(Cl)cc(CN2CCO[C@@H](C(C)(C)C)C2)c1O	790930509	DEMZBFYJMZODTP-CQSZACIVSA-N	313.825	3.301	10	20	DGCD	
OC[C@H](NCc1c(O)ccc(Cl)c1F)C1CCCCC1	790970504	JXKSUFFABZWKOA-ZDUSSCGKSA-N	301.789	3.216	10	20	DGCD	
COc1ccc(CNCc2nc3ccc(F)cc3s2)c(O)c1	793391508	YPVVFQWGAZBKIL-UHFFFAOYSA-N	318.373	3.439	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(OC(C)C)cc2)c(O)c1	794389271	KBEJRXFSGKIDNY-UHFFFAOYSA-N	315.369	3.118	10	20	DGCD	
CCOC1CC(C(=O)NCc2ccc(N3CCCCC3)cc2)C1	805172266	USPOHFYHRLJEGA-UHFFFAOYSA-N	316.445	3.108	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C1=CCCCO1	807839831	MIDYQSIDZRCASA-UHFFFAOYSA-N	302.157	3.010	10	20	DGCD	
CN(C)c1ccc(OCc2nc(Cc3ccccc3)no2)cc1	810001683	JUBHCNIHPANZNR-UHFFFAOYSA-N	309.369	3.305	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2ncccc2N(C)C)cc1	810246592	FBRZYFINVALROQ-HNNXBMFYSA-N	312.461	3.455	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCSC1	811528751	GIMFFXIODOSEDX-MRVPVSSYSA-N	320.241	3.458	10	20	DGCD	
CCCCN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817905202	KLNXJZCUCCHEBA-UHFFFAOYSA-N	303.431	3.188	10	20	DGCD	
CC[C@@H](NCC[C@@H]1CCNC1)c1ccc(C(F)(F)F)cc1O	817955504	XPOFPIHWZMRAGO-SMDDNHRTSA-N	316.367	3.451	10	20	DGCD	
CC[C@H](NC[C@H](N)C(C)C)c1ccc(C(F)(F)F)cc1O	817957528	CNMDXVMRPLRFFN-STQMWFEESA-N	304.356	3.435	10	20	DGCD	
CC[C@@H](NCC(F)(F)CN)c1ccc(Cl)c(Cl)c1O	817967162	DKENYNINIGUVCB-SECBINFHSA-N	313.175	3.334	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCCC2(F)F)c1	825737328	ZHTSZDMAJWGZSP-ZWNOBZJWSA-N	313.344	3.404	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCS[C@@H]1C	828524394	CALIUBLDZFDEOK-CJNGLKHVSA-N	321.490	3.178	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)[C@@H]1CCCOC1	840892666	BWXKOLOGXKHLFU-LZLYRXPVSA-N	304.478	3.397	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1OCCc2ccccc21	840933407	FDHUMYOWLPJBFT-FQEVSTJZSA-N	310.441	3.465	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](C)[C@@](C)(OC)C2CC2)c1O	840960911	NUFOFFIVFBKRLX-MGPLVRAMSA-N	313.825	3.347	10	20	DGCD	
C[C@@H](CC(=O)O)NCc1ccc(N(C)Cc2cccs2)cc1	840995535	SWUNKTRXNVHKRP-ZDUSSCGKSA-N	318.442	3.337	10	20	DGCD	
C[C@@H](c1ccccc1)N1CC[C@@H](NCCc2ccc(N)cc2)C1	841035401	NJLRZCJROLLYIZ-OXJNMPFZSA-N	309.457	3.236	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2coc3ccccc23)cc1	841045680	ODXFQXLGTRRPHH-GOSISDBHSA-N	309.413	3.288	10	20	DGCD	
CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)Nc1ccc(N)cc1	841295579	BVCYYYKCXICKHD-GLQYFDAESA-N	305.422	3.230	10	20	DGCD	
Cc1nc2ccccn2c1CN1CCCc2cc(CN)ccc21	843058031	LRWGRSDWUUHMCF-UHFFFAOYSA-N	306.413	3.054	10	20	DGCD	
COc1ccccc1C1(c2nc(Cc3ccc(N)cc3)no2)CC1	843160090	VLLJFPJZTVFLTB-UHFFFAOYSA-N	321.380	3.331	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H]1[C@@H]1CCCOC1	843417993	YJFYDSZGKYXYKD-MJGOQNOKSA-N	302.462	3.452	10	20	DGCD	
CCN1CCC(CCN[C@@H](C)c2cccc(OC)c2O)CC1	846144481	GUGKEIJKTWEOMA-AWEZNQCLSA-N	306.450	3.173	10	20	DGCD	
COC[C@@H](NCc1cc(C)ccc1O)c1cccc(OC)c1	850362963	WQELEAFEBGJNHR-QGZVFWFLSA-N	301.386	3.187	10	20	DGCD	
COc1ccc(N2CCN(Cc3cncc(Cl)c3)CC2)cc1	856716978	BODHMSGKDTUWKD-UHFFFAOYSA-N	317.820	3.066	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](OCC)C1CC1	861561500	HRWCLJFZJIZZFZ-QGZVFWFLSA-N	305.418	3.336	10	20	DGCD	
COC(=O)c1csc(CNCc2ccc(N(C)C)c(F)c2)c1	876988468	HJLOMSFNLIGGKM-UHFFFAOYSA-N	322.405	3.030	10	20	DGCD	
CC(C)C[C@@H]1C[C@H]1NCc1ccc(N2CCC(O)CC2)cc1	877583568	RXGWBMGDRDSROV-VQIMIIECSA-N	302.462	3.172	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)Cc2cccc(O)c2)c1O	894238977	WWYOIILOTCLENA-ZDUSSCGKSA-N	301.386	3.136	10	20	DGCD	
COc1cc(O)c(CNc2ccc3c(c2)C[C@@H](C)O3)cc1OC	897114657	QXEZREHJKMBTMS-LLVKDONJSA-N	315.369	3.345	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1cccc(F)c1)c1ccc(F)cc1O	903307758	FANQGEYSOALKET-PIGZYNQJSA-N	307.340	3.229	10	20	DGCD	
CCOC(=O)COC(=O)c1cc(C)n(-c2ccccc2C)c1C	916584206	FOFBNRZUKJAALW-UHFFFAOYSA-N	315.369	3.122	10	20	DGCD	
O=C(CN1CC[C@H]1CO)Nc1ccc(N=Nc2ccccc2)cc1	934028470	VCEFCNUDGLZQSH-KRWDZBQOSA-N	324.384	3.107	10	20	DGCD	
CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2sccc2O)n1CC	1121668415	AUJLZRJYSDRHGI-GHMZBOCLSA-N	306.435	3.357	10	20	DGCD	
CC(C)c1noc(CCN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)n1	1320253435	WAJYLXOYYAKOMV-PWSUYJOCSA-N	319.380	3.418	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2ccc(N(C)C)cc2)c1O	1326532507	BJGQHUDSVJVQIW-CQSZACIVSA-N	314.429	3.360	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NOC1CCC1	1330067576	RTDKYGZHYMBIIH-UHFFFAOYSA-N	312.369	3.121	10	20	DGCD	
Cn1nc(C2CC2)cc1CNCc1ccc(N2CCCC2)cc1	1334329388	FMFAQCJQYXVCFM-UHFFFAOYSA-N	310.445	3.188	10	20	DGCD	
C[C@](CNCc1cccc(Cl)c1O)(C(=O)O)c1ccccc1	1589066993	VJKADQMKLORZNQ-QGZVFWFLSA-N	319.788	3.178	10	20	DGCD	
C[C@@H](Cc1ccsc1)N[C@H](C)c1cc(C(=O)O)ccc1O	1609750104	MCYZRWMVPGJAFK-WDEREUQCSA-N	305.399	3.434	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)c1ccc(OCC(=O)O)cc1	1610117874	FGZMKZGKELCRHC-UHFFFAOYSA-N	321.760	3.145	10	20	DGCD	
COCCOC1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1	116869045	FMXWCYMSUUWHBI-UHFFFAOYSA-N	321.461	3.451	10	20	DGCD	
Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c(C)c1	109772980	QABBIGRPQUTFIX-HNNXBMFYSA-N	312.413	3.468	10	20	DGCD	
CCOc1cccc(NC(=O)NCc2cc(OC)ccc2O)c1	114572512	QFHNPKSNLMDQPO-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
C[C@H](NCCc1ccc2c(c1)OCCO2)c1cc(F)ccc1O	176980616	XZXDLEGXZSFYGM-LBPRGKRZSA-N	317.360	3.196	10	20	DGCD	
O=C(CSc1nccs1)N1CCSc2ccccc21	127244661	IICGTTUPXGMRHG-UHFFFAOYSA-N	308.453	3.374	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(-c3cnco3)cc2)c(O)c1O	179438643	JZJDHBCXTIIFQT-UHFFFAOYSA-N	310.309	3.314	10	20	DGCD	
CCOC(=O)CN(Cc1cc(C(C)C)c(C)cc1O)C1CC1	216630721	CIUSWRBDPMHASL-UHFFFAOYSA-N	305.418	3.352	10	20	DGCD	
CCOC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N(C)CC)cc2)C1	186460696	KTVUUBHJJVDKQJ-GDBMZVCRSA-N	319.449	3.024	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@H]1C[C@H](C)c2c(C)ccc(O)c21	314705426	JZZURUNKHNMUHH-IHRRRGAJSA-N	304.434	3.143	10	20	DGCD	
COc1cc(O)c(CN[C@H]2CCCO[C@H]2CC(C)C)cc1OC	187679567	XEKDZUYPUSPJIM-HOCLYGCPSA-N	323.433	3.093	10	20	DGCD	
CCN1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1	320628090	BCSMDBIJVMSHIL-LBPRGKRZSA-N	324.852	3.164	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)c2ccsc2)c1	131084550	CKDPXXBOJTZJHY-QWRGUYRKSA-N	305.399	3.443	10	20	DGCD	
CC[C@H]1CN(Cc2cccc(Br)c2O)CCS1	93502252	YRWPDMZLNQJYFD-NSHDSACASA-N	316.264	3.482	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc(CN2CCCC2)cc1	269154159	PTHQRNSJABBMIX-UHFFFAOYSA-N	324.424	3.260	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2[C@H]2CCCO2)c1O	375334000	AYWFQAOLQHAIGB-JKSUJKDBSA-N	323.820	3.392	10	20	DGCD	
O=C(c1ccc(NCc2cc(F)ccc2O)cc1)N1CCCC1	280626127	GJWLXXNSNPNFDT-UHFFFAOYSA-N	314.360	3.379	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1O	287314467	DAZQVOGYGKCYFH-ZIAGYGMSSA-N	310.825	3.096	10	20	DGCD	
CSc1cccc(F)c1CNCc1cc2c(cc1O)OCO2	285460424	GVMCRQAPBYRDBA-UHFFFAOYSA-N	321.373	3.272	10	20	DGCD	
CCn1cnc2c(NCc3ccc(N4CCCC4)cc3)ncnc21	299634391	RLYBPSBORWLWPF-UHFFFAOYSA-N	322.416	3.059	10	20	DGCD	
Cc1cc(C)nc(C(=O)NCc2c(O)ccc3c2CCCC3)c1	801174263	LVSXJPSYOGLFKK-UHFFFAOYSA-N	310.397	3.213	10	20	DGCD	
Cc1cc(O)nc2cc(C(=O)N(C)Cc3ccccc3O)ccc12	809613195	NNDGQKPHCXOHRJ-UHFFFAOYSA-N	322.364	3.227	10	20	DGCD	
Cc1ccoc1CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1	291889256	OZOYDHBKHFKLJI-UHFFFAOYSA-N	319.380	3.135	10	20	DGCD	
CC[C@H](c1ccccc1OC)N(C)C(=O)c1cccc(O)c1O	807860652	CSMFNPHKNDAKKU-CQSZACIVSA-N	315.369	3.330	10	20	DGCD	
Cc1cccc(CN(CCN(C)C)Cc2cc(F)ccc2O)c1	809741817	XKWNOFGHRKRZBB-UHFFFAOYSA-N	316.420	3.404	10	20	DGCD	
CN(C)[C@@H](CN[C@H]1CCc2cccc(O)c21)c1ccc(F)cc1	296161092	XEQDPWJKYRYJGP-IRXDYDNUSA-N	314.404	3.411	10	20	DGCD	
CCOc1cccc(CNc2ccc(F)c(NC(N)=O)c2)c1O	814300063	GKACLYKUZBFFCJ-UHFFFAOYSA-N	319.336	3.033	10	20	DGCD	
CC(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2C)cs1	815630031	VFBPAUYPIPUZMW-UHFFFAOYSA-N	316.426	3.255	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCOC[C@@H](C2CCC2)C1	816616887	IQMUPPGCPWAPBY-ZDUSSCGKSA-N	313.800	3.433	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3cccnc3C)C2)cc1	818221360	RELBGDPMGHQFFG-MRXNPFEDSA-N	311.429	3.015	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c(C)n1	817941144	JDWNRLQWZKQWGG-KUHUBIRLSA-N	312.461	3.115	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(C(=O)O)cc1	820321063	BIVDQOOVXQTBHJ-UHFFFAOYSA-N	313.353	3.143	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCC(=O)C(C)(C)C	825873223	IDJOFNLAQNEVGP-UHFFFAOYSA-N	318.461	3.463	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H]3CCC[C@@]3(C(=O)O)C2)cc1	901526577	WYIRIFIJQYNGAT-VQIMIIECSA-N	316.445	3.220	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2c(C)cc(C)nc2C)c1	836629637	PVVQVLFZYKZDQE-UHFFFAOYSA-N	315.373	3.043	10	20	DGCD	
C[C@@H](NS(=O)(=O)CCC1CCCC1)c1ccc(N(C)C)cc1	831141045	QWYCOEFCDXUBGC-CQSZACIVSA-N	324.490	3.313	10	20	DGCD	
Cc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1N1CCNC1=O	834787525	OULHRBOCNYYANJ-OAHLLOKOSA-N	323.396	3.330	10	20	DGCD	
COc1ccc(N(CCOC[C@@H]2CCCO2)CC(C)C)cc1	741244565	GUOMNFSSYAENPJ-SFHVURJKSA-N	307.434	3.353	10	20	DGCD	
C[C@H](NC[C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1	840883413	ZMZKWIIFEPGODK-WMLDXEAASA-N	316.420	3.318	10	20	DGCD	
COc1ccc(O)c(CN2C[C@@H](C)NCc3ccc(F)cc32)c1	841047333	NGMSJHSLYGUULX-GFCCVEGCSA-N	316.376	3.038	10	20	DGCD	
CN(Cc1ccco1)C(=O)CSc1ncc(Cl)s1	849998316	MSKWMVVTWPUIQC-UHFFFAOYSA-N	302.808	3.140	10	20	DGCD	
Nc1ccc(CCNC(=O)NCC[C@@H]2CCc3ccccc32)cc1	841907936	UFWBTZMZPGROKR-KRWDZBQOSA-N	323.440	3.231	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2C)SC1=S	840713643	TZKPYDKJMZHXIT-UKTHLTGXSA-N	306.456	3.282	10	20	DGCD	
Cc1cc(CN(C)C[C@@H](C)C(=O)O)ccc1N1CCCCC1	846224887	BZAIIZHVUZPXKP-OAHLLOKOSA-N	304.434	3.138	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)C3(Cl)CC3)C2)cc1	926610912	GZCLWLVDHITRJH-KBPBESRZSA-N	308.853	3.271	10	20	DGCD	
CCc1cccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O	848913249	SKYMMUGNWYXYJY-AEFFLSMTSA-N	301.430	3.488	10	20	DGCD	
CC(C)Oc1cccc(CNC(=O)NCc2ccccc2O)c1	748459243	DNISHFKRFKAVDS-UHFFFAOYSA-N	314.385	3.179	10	20	DGCD	
CC[C@H](NC[C@@H]1CCCN1CC(F)(F)F)c1ccccc1O	926923793	YUQHUTXIHLUGKP-JSGCOSHPSA-N	316.367	3.460	10	20	DGCD	
C[C@H](N[C@H]1CCN(C)[C@@H](C)C1)c1cc2c(cc1O)CCCC2	756611150	KEPOWSMPXSUDHX-ZQIUZPCESA-N	302.462	3.404	10	20	DGCD	
CCOc1cccc(CNC[C@@H](O)[C@H](C)c2ccccc2)c1O	850412265	VICIHGLBJAZJGX-RHSMWYFYSA-N	315.413	3.045	10	20	DGCD	
CC(C)c1nc([C@@H](C)N[C@H](C)c2cc(F)cc(F)c2O)n[nH]1	756777652	KFFGFZZOLVJOFM-RKDXNWHRSA-N	310.348	3.324	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CCCCO2)cc1	755085309	ROOQTOZTUFCPGG-GOSISDBHSA-N	318.461	3.450	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccn(CC(F)F)n2)cc1F	858150517	YROSDGXRRHNRGJ-UHFFFAOYSA-N	316.302	3.105	10	20	DGCD	
Oc1c(Br)cccc1CNCCCc1ccco1	850408076	XNNLBGVSQPQSJG-UHFFFAOYSA-N	310.191	3.470	10	20	DGCD	
CC[C@@H](NCc1c(C2CC2)cnn1C)c1ccc(F)cc1O	850534086	GFGYWXQRNITAKY-OAHLLOKOSA-N	303.381	3.383	10	20	DGCD	
CCC(CC)c1nnc(NC(=O)c2ccc(C)c(O)c2O)s1	751533308	MILODAZGTYDCJD-UHFFFAOYSA-N	321.402	3.414	10	20	DGCD	
CCN(CCC1CC1)C(=O)NCc1ccc(N(C)C)cc1C	760994783	OINICZNRNXUAQE-UHFFFAOYSA-N	303.450	3.393	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCSC1	762013730	LBGXZNUDQTYFQM-HNNXBMFYSA-N	306.475	3.243	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1O	868460966	IBVBZADYOCRQAH-XJKCOSOUSA-N	320.433	3.346	10	20	DGCD	
CC1(C)N[C@H](c2cc(Cl)ccc2O)N(CC2CCCC2)C1=O	877856575	FCUXHYMERJZPEW-HNNXBMFYSA-N	322.836	3.445	10	20	DGCD	
CC[C@H](C)[C@H](CN(C)c1cc(OC)c(OC)c(OC)c1)OC	877179990	MILMPWWKOVJASG-LRDDRELGSA-N	311.422	3.210	10	20	DGCD	
CCCN(CC(C)(C)O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776238304	ISZUJTURXWJWGG-AWEZNQCLSA-N	321.465	3.006	10	20	DGCD	
COc1cccc2cc(CNC(=O)c3cc(O)cs3)oc12	1118555800	ORDMVHUWMCSWIJ-UHFFFAOYSA-N	303.339	3.139	10	20	DGCD	
C[C@H](N[C@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1	773103841	LTIIGNWMGMEGLJ-YJBOKZPZSA-N	302.462	3.489	10	20	DGCD	
COc1ccc(CN[C@H]2CCC[C@@H]3C[C@H]23)cc1Cn1cccn1	873130788	KWDXZNDEMUQSIP-NJAFHUGGSA-N	311.429	3.218	10	20	DGCD	
Cc1cc(C(=O)NOC2CCCCC2)c(C)n1-c1ccccn1	779323477	PZAKRJHBKBDSQZ-UHFFFAOYSA-N	313.401	3.483	10	20	DGCD	
CCc1cnccc1[C@@H](C)NC(=O)N(C)Cc1ccccc1O	774328070	GUUDSVSIMMNQRF-CYBMUJFWSA-N	313.401	3.252	10	20	DGCD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)o1	778926721	FNODIFLCHMZMQY-BXUZGUMPSA-N	315.369	3.063	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1cccs1)C[C@H]1CCCO1	770955795	PMTZLDBWIHUIDV-GFCCVEGCSA-N	323.439	3.337	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1	773426796	HEVRFEQRKGLJLL-SFHVURJKSA-N	318.461	3.308	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cccc3cc[nH]c23)c(O)c1	797647673	LUAGURVIRUTVIW-UHFFFAOYSA-N	311.341	3.204	10	20	DGCD	
Oc1c(Br)cccc1CN1CCC[C@H](CF)C1	711479134	XFQALZYRQANLNN-SNVBAGLBSA-N	302.187	3.336	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccc(C(N)=O)cc1	1337786143	VDEVLGNCGBMLCT-IUODEOHRSA-N	310.397	3.138	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNC1CCN(C2CCC2)CC1	1251730425	NPCGAJLUBKDLBN-UHFFFAOYSA-N	313.489	3.393	10	20	DGCD	
CO[C@H]1CCC[C@@H]1CNCc1c(O)cccc1Br	1351329758	HYIVTWYRPYSCET-YGRLFVJLSA-N	314.223	3.059	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCC(SC)CC1	1520738414	LDNWOUGTEHPBGQ-UHFFFAOYSA-N	324.475	3.064	10	20	DGCD	
Cc1cc(CN(CC(=O)O)CC2CC2)ccc1N1CCCCC1	1574326817	YCKPYULMPQMTCB-UHFFFAOYSA-N	316.445	3.282	10	20	DGCD	
CN(C(=O)c1c[nH]nc1-c1ccccc1F)c1ccc(N)cc1	1578387760	YNWLVMZFCDOWMN-UHFFFAOYSA-N	310.332	3.075	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CNC2(C(=O)O)CC2)cc1	1776869565	UHVKURDBXDSYTO-UHFFFAOYSA-N	324.424	3.420	10	20	DGCD	
CNC(=O)c1ccc(C)c(NCc2cccc(Cl)c2O)c1	158059310	BNPCBYWDOXFVDY-UHFFFAOYSA-N	304.777	3.326	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1C(C)C	158937223	HIWBWCVFZHJCSS-UHFFFAOYSA-N	302.374	3.027	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@@H]1CCO[C@]2(CCSC2)C1	151423056	QCQWZRCUAGRHDU-UKRRQHHQSA-N	313.850	3.190	10	20	DGCD	
Oc1cc2c(cc1CNC1(c3cccc(F)c3)CC1)OCO2	152868772	GBONHQPIKNBGQW-UHFFFAOYSA-N	301.317	3.039	10	20	DGCD	
Oc1cccc(Br)c1CNCC1CCSCC1	706830334	QMSLVRPMRZYXBY-UHFFFAOYSA-N	316.264	3.388	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCc1cccc2cccnc12	68885676	OBCJYABIZMAAIZ-UHFFFAOYSA-N	321.380	3.282	10	20	DGCD	
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	70270450	TVTGFORTWAFDAX-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
CCCN(Cc1nc([C@@H](C)OCC)no1)Cc1ccccc1O	76724899	RMGXAWCLOSYCTO-CYBMUJFWSA-N	319.405	3.285	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2cnn(CC)c2)cc1	79719651	ZHGBRRMBWGOYPJ-UHFFFAOYSA-N	315.421	3.071	10	20	DGCD	
COCCCOc1cccc(CN(C)Cc2ccccc2O)c1	91974730	AFOCWNQHTBXCOR-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(F)cc2Cl)c1	114543244	MQUYDYAFIKFCDE-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
Cn1c(-c2ccc(N3CCOCC3)cc2)nc2c(F)cccc21	123943360	PPEIDUUEAGIXQJ-UHFFFAOYSA-N	311.360	3.216	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)cc(C)n2)c1	126750213	HPZPCJIYINXPEN-LBPRGKRZSA-N	315.373	3.295	10	20	DGCD	
CCCNC(=O)[C@H](C)N(C)Cc1ccc(N2CCCCC2)cc1	131704634	UMQQAMLCTDDCBK-INIZCTEOSA-N	317.477	3.023	10	20	DGCD	
Oc1cccc(Cl)c1CN[C@H]1CCO[C@]2(CCSC2)C1	151389746	CTQOBBZTVCKXQU-XHDPSFHLSA-N	313.850	3.190	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1C	175842324	JOSFSOIDAKIMDN-BXKDBHETSA-N	312.207	3.159	10	20	DGCD	
C[C@H](NCc1cccc(CN(C)C)c1)c1ccc(F)cc1O	184936760	BWWGQLSKXPMMFP-ZDUSSCGKSA-N	302.393	3.444	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@@H](C)c1cc(Cl)ccc1O	185030036	VVXDRSYCOVVPHY-LBPRGKRZSA-N	312.841	3.345	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(C)cc1O	186177065	OPNCBCOHCJCRHS-ZDUSSCGKSA-N	301.434	3.410	10	20	DGCD	
CC(C)[C@@H](O)C(C)(C)CN[C@@H](C)c1ccc(F)c(F)c1O	187805568	RYFVRBFAIPIMIO-ZUZCIYMTSA-N	301.377	3.364	10	20	DGCD	
CCSc1cc(CNCc2ccc3c(c2)CCO3)ccn1	189605249	ZUKFSKNOHCYVRE-UHFFFAOYSA-N	300.427	3.418	10	20	DGCD	
C[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C[C@@H]1n1ccnc1	191442923	SJPKRNAHUGEQES-FZMZJTMJSA-N	323.799	3.464	10	20	DGCD	
C[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(N(C)C)cc1	271545072	ZAFUPCLDCVDECW-YVEFUNNKSA-N	320.383	3.415	10	20	DGCD	
CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)cc2)CCO1	273030693	YAVDGLALBGTPFQ-AEFFLSMTSA-N	318.461	3.210	10	20	DGCD	
CC(C)CN1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	273376985	HJNCPAMRDOKUCU-CYBMUJFWSA-N	321.421	3.071	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2cccc(C(=O)N(C)C)c2)c1	273419872	JEWULGJLCMTMDU-LBPRGKRZSA-N	314.385	3.276	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2ccc(OCC(N)=O)cc2)c(O)c1C	273484317	MWPJKKRFWMEZQO-CYBMUJFWSA-N	314.385	3.046	10	20	DGCD	
CC[C@@H](NC1CCN(CCCOC)CC1)c1ccc(C)cc1O	280282106	YOWBVCIGUYRXBX-GOSISDBHSA-N	320.477	3.242	10	20	DGCD	
CC[C@H](N[C@H](COC)[C@@H]1CCCO1)c1cccc(Cl)c1O	286972016	IMJVGBIAAUGUTI-ZNMIVQPWSA-N	313.825	3.280	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCc2cccc(C)n2)c1	287502886	NUMKIVZCNRBOAC-CQSZACIVSA-N	300.402	3.388	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1O	296402564	UUSDDFDLEDMGQK-MAZHCROVSA-N	323.820	3.151	10	20	DGCD	
CSCC[C@H](C)NCc1c(O)cccc1Br	706880620	ATIBHJJIVFGSHH-VIFPVBQESA-N	304.253	3.386	10	20	DGCD	
Cn1cc(/C=C\C(=O)N(Cc2ccsc2)c2cccnc2)cn1	726369550	XPNOZGQHRIBSEP-PLNGDYQASA-N	324.409	3.123	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cocn2)c1	730804206	YIYXKVRQYRSQHT-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
CC(C)C(=O)Nc1cccc(NC(=O)c2cc(O)cs2)c1	731868838	ZIPXQOCBEAKHHM-UHFFFAOYSA-N	304.371	3.301	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCC(F)(F)F)c1	743708774	JJHQKKQXPABSFR-SECBINFHSA-N	320.311	3.104	10	20	DGCD	
COc1cccc(CCCOC(=O)c2ccc(C)c(O)c2O)c1	744909594	JNXUZDMBHYAMDD-UHFFFAOYSA-N	316.353	3.204	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCc3nc(C)ncc32)c1	756585976	OJQHYSQHIVQALT-MEDUHNTESA-N	313.401	3.227	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC2(C3CC3)CC2)cc1F	761683791	SRXISLIOAJIYEY-UHFFFAOYSA-N	319.424	3.414	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C)C1)c1ccc(N2CCCCCC2)cc1	765769480	KUJGFBGWBMYCOX-AEFFLSMTSA-N	301.478	3.422	10	20	DGCD	
C[C@H](CN(C)Cc1cc2c(cc1O)OC[C@H]2O)c1ccccc1	768449042	DARQYBBEQLIJHF-FZKQIMNGSA-N	313.397	3.054	10	20	DGCD	
C[C@H](NC(=O)Cc1c[nH]c2ncccc12)c1ccc(N(C)C)cc1	773012332	BDRCRPCIMJLBGY-ZDUSSCGKSA-N	322.412	3.049	10	20	DGCD	
Cc1cc(Cl)cc(NC(=O)c2ccc(C)c(O)c2O)c1O	780992580	CDJZHEKSIXKVRX-UHFFFAOYSA-N	307.733	3.326	10	20	DGCD	
C[C@H](NC[C@H]1CCC=CO1)c1cc(Br)ccc1O	783308448	DXDABDVOBMRCAY-CMPLNLGQSA-N	312.207	3.498	10	20	DGCD	
Cc1ccnc(OC2CCN(Cc3cc(C)ccc3O)CC2)c1	783594051	TZXKVUANJNLGIR-UHFFFAOYSA-N	312.413	3.447	10	20	DGCD	
CCN(CC)c1ccc(CNC(=S)NC2(C)CC2)cc1F	789235815	ZAOKQANFQOERHQ-UHFFFAOYSA-N	309.454	3.189	10	20	DGCD	
COCCN(Cc1cc(OC)c(OC)cc1O)[C@@H]1CC[C@H](C)C1	790478758	LTIURTFCUZYHMG-DZGCQCFKSA-N	323.433	3.046	10	20	DGCD	
O=C1NCc2ccc(NCc3c(O)ccc(Cl)c3F)cc21	790984176	SDVBKLLBWVJIFQ-UHFFFAOYSA-N	306.724	3.040	10	20	DGCD	
CC[C@@H]1CCC[C@H](NC(=O)NCc2ccc(OC)cc2O)C1	792957062	OPYKFKFGHROAOD-OCCSQVGLSA-N	306.406	3.169	10	20	DGCD	
COc1ccc(CNC(=O)c2cccc3c(C)c(C)[nH]c23)c(O)c1	794381827	OVMKUHOBMDQEJR-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1cn(C(C)C)nc1C	798493029	JQDFBFWTWGTPLT-UHFFFAOYSA-N	300.450	3.437	10	20	DGCD	
COc1cc(O)c(CNCC[C@H]2C[C@H](C)O[C@H](C)C2)cc1OC	802659980	TZDMSOCCBHQAKI-BTTYYORXSA-N	323.433	3.093	10	20	DGCD	
O=C(Nc1csc(-c2ccccc2)n1)c1cccc(O)c1O	804823188	QNJJVJANMLGHKE-UHFFFAOYSA-N	312.350	3.474	10	20	DGCD	
COc1cnc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	806513693	ITKJRBPINYFGHG-JTQLQIEISA-N	320.418	3.100	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CCCSC2)C2CC2)cc1	810064322	BLGCQNNGWRLEIP-OAHLLOKOSA-N	318.486	3.387	10	20	DGCD	
CO[C@@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)C1CC1	815153833	ZBWFEQYLKAIXAR-HNNXBMFYSA-N	316.367	3.286	10	20	DGCD	
CC(C)c1ncsc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	828885038	RTCYJCFBOPYIEG-SNVBAGLBSA-N	320.414	3.039	10	20	DGCD	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NCc1cccc(Br)c1O	830529106	DBCSLFHCVLMVOZ-NHCYSSNCSA-N	324.218	3.207	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C1CCC1)C1CC1	836687463	TXVYEBJARKQUTL-GOSISDBHSA-N	315.461	3.473	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H](C)c1cnn(C)c1	839622786	VATGMAQRWNKMDN-AWEZNQCLSA-N	315.417	3.058	10	20	DGCD	
C[C@H](C(=O)O)C1(NCc2cc(Cl)cc(Cl)c2O)CC1	844294224	SHYQDNQLEXYVPU-SSDOTTSWSA-N	304.173	3.042	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2sc(C)nc2C)cc1	844401480	OCQWLBOPOFOYRB-UHFFFAOYSA-N	319.474	3.337	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](CCO)C2CCCCC2)c1O	846143945	BHUMHSUQSKNHBI-BBRMVZONSA-N	307.434	3.383	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)Cc2ccc(O)cc2)c1O	846147228	UWOSZLRVQXSGGL-OLZOCXBDSA-N	301.386	3.388	10	20	DGCD	
CC(C)COC[C@@H](O)CN(C)c1ccc(-c2nccs2)cc1	846995262	ZGDIFNBUMNCCEX-INIZCTEOSA-N	320.458	3.280	10	20	DGCD	
CCC1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1	876626318	VMWKEBTWCOMSOF-UHFFFAOYSA-N	302.462	3.270	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@H]1CCOc2c(F)cccc21	883099204	MQKUBTICYUZEFS-AWEZNQCLSA-N	309.287	3.423	10	20	DGCD	
Cc1ccc(O)c([C@H](C)Nc2cccc3c2N(C)C(=O)CO3)c1	883397580	PZQNECWXIATGRL-LBPRGKRZSA-N	312.369	3.229	10	20	DGCD	
C[C@H](N[C@@H](CO)[C@H](C)c1ccccc1)c1c(O)cccc1F	886547545	NBKJJMXDPSHKNI-WWGRRREGSA-N	303.377	3.347	10	20	DGCD	
C[C@@H](NCCc1nn(C)c2ccccc12)c1c(O)cccc1F	886594656	REHCHZNFCMXBCX-GFCCVEGCSA-N	313.376	3.311	10	20	DGCD	
Cc1ccn(C)c(=O)c1NCc1ccc(N2CCCCC2)cc1	902256049	PXGIUPAAMCFCKO-UHFFFAOYSA-N	311.429	3.296	10	20	DGCD	
COc1ccc(CN[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cc1C	920182839	ZOCPVMZPGRCLAU-UXLLHSPISA-N	304.478	3.460	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)[C@@H](O)c1cccc(F)c1	921818119	XQVGUZBRAIRZLR-BFUOFWGJSA-N	315.388	3.362	10	20	DGCD	
C[C@H](Nc1ccc(CCC(N)=O)cc1)c1ccc(N(C)C)cc1	1341874246	CRHAKASPWCQSAY-AWEZNQCLSA-N	311.429	3.344	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC2(CC1)OCCCO2	1343973320	UNSVZCBPSRZWNG-UHFFFAOYSA-N	316.445	3.016	10	20	DGCD	
Nc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1	1580449281	GKEOIQJNSWGUPH-UHFFFAOYSA-N	323.317	3.117	10	20	DGCD	
C[C@@H](Nc1ccc(N(C)C)cc1)c1cc(C(=O)O)ccc1O	1604361619	FGXVHYFOHCEBHV-LLVKDONJSA-N	300.358	3.330	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C2(c3ccccc3)CCC2)cc1	26081757	ZSZLYYYUEXQYFI-UHFFFAOYSA-N	308.425	3.491	10	20	DGCD	
COCc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1	41364995	JOJQQHHXACIZBY-UHFFFAOYSA-N	324.424	3.363	10	20	DGCD	
CC(C)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	53517487	GQQBJJPEKNITOX-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)C[C@@H](C)O)cc1	77118201	LYFPPNSYINJGGI-XJKSGUPXSA-N	314.429	3.231	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3ccccn3)cc2)CC1	108296423	UZUAKWMRHDFXIQ-UHFFFAOYSA-N	309.413	3.248	10	20	DGCD	
CCC(CC)CNC(=O)NCc1ccc(N2CC=CC2)cc1	126741553	ISBKOFTUFFSROK-UHFFFAOYSA-N	301.434	3.298	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(F)c(SC)c2)c1O	127989739	YOEGPXSTKKWUMA-UHFFFAOYSA-N	321.373	3.192	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)c1ccccc1	180839881	NTXSPAHZFBFRGY-CACDNMLQSA-N	311.381	3.419	10	20	DGCD	
CC[C@H](CSC)NC(=O)NCc1c(O)ccc2c1CCCC2	181451330	DQPVQLRATWNHDM-CYBMUJFWSA-N	322.474	3.212	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)c2nc(C(C)C)no2)c1	182431972	LEOVLLKSAJRRHR-WDEREUQCSA-N	305.378	3.319	10	20	DGCD	
O=C(/C=C/c1ccc(O)cc1)NCc1ccc(N2CCCC2)cc1	184023257	OIDGWSNXSAXKEM-KPKJPENVSA-N	322.408	3.322	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2	185511667	UCYNBXSPWZZTNT-XWCIJXRUSA-N	309.475	3.034	10	20	DGCD	
C[C@@H](NCC[C@](C)(O)c1ccccc1)c1ccc(F)cc1O	187927172	BNFNMBDRVCYIMU-ACJLOTCBSA-N	303.377	3.480	10	20	DGCD	
C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(O)c2O)C1	193104477	IYSHBOGNHBHEHA-XHDPSFHLSA-N	315.344	3.460	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c1	245726362	SCOHCOOEKUDALI-ZDUSSCGKSA-N	316.367	3.077	10	20	DGCD	
CN(C)C[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)C1	271177724	KSSSFMUQZYDWEB-MRXNPFEDSA-N	310.441	3.443	10	20	DGCD	
C[C@H]1C[C@@H](CNCc2cc(Br)ccc2O)CCO1	271461864	JXFYGUGXIGMMHU-QWRGUYRKSA-N	314.223	3.059	10	20	DGCD	
CC(C)N(CCCn1ccnc1)Cc1ccc(N(C)C)cc1	272026114	VUUHOKOQKFVQKS-UHFFFAOYSA-N	300.450	3.250	10	20	DGCD	
CC(C)(O)COc1ccc(NCc2cc(F)ccc2O)cc1	272504517	WBWIZINZFQUTKH-UHFFFAOYSA-N	305.349	3.293	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](C)c2cc(Br)ccc2O)CCO1	273463313	INCQBXMISURDSZ-CKYFFXLPSA-N	314.223	3.373	10	20	DGCD	
COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)CC2	277147031	AKPHSFHIWNYAPQ-SFHVURJKSA-N	324.424	3.107	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1conc1C1CC1	280822573	RVLIDLRWGFHYBR-UHFFFAOYSA-N	312.369	3.066	10	20	DGCD	
Oc1ccc(F)cc1CNc1cc(F)cc(N2CCOCC2)c1	282795729	MPHNWNCWBIKSEM-UHFFFAOYSA-N	320.339	3.119	10	20	DGCD	
Cc1c(CNC(=O)N[C@H](C)c2cccnc2)n(C)c2ccccc12	349213153	JIRQGACXLXTGSF-CQSZACIVSA-N	322.412	3.442	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@@H]1CCC12CCOCC2	367088491	WRRATYLXTQGUDR-GOSISDBHSA-N	300.446	3.336	10	20	DGCD	
CCOc1cccc(CN2CCC([C@H]3CCOC3)CC2)c1O	368236711	VRZQSTGWHLWBTI-INIZCTEOSA-N	305.418	3.039	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1C(=O)O	380164204	ZYRZKXKSDMGCRH-KWQFWETISA-N	318.200	3.242	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)c1O	385018924	UWBBFLJZHXRONP-CABCVRRESA-N	323.820	3.105	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1	728792376	KRIUSBBPXJKZGX-ASHKBJFXSA-N	320.458	3.115	10	20	DGCD	
CC[C@@H](C)NC(=O)CN(Cc1ccccc1O)C1CCCC1	732205010	XFZXACCCHHWHHW-CQSZACIVSA-N	304.434	3.052	10	20	DGCD	
Cc1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1	733288117	ZYUMUZHWCKKBKF-UHFFFAOYSA-N	308.385	3.056	10	20	DGCD	
C[C@H]1C[C@H](C)CC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1	733332517	CYKNXJOXUGIAGV-JKIFEVAISA-N	303.450	3.377	10	20	DGCD	
Cc1cc(O)c(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1C(C)C	736599211	PJQSLLAWTGTZQY-RXSFTSLZSA-N	309.475	3.165	10	20	DGCD	
CC(C)n1c(CNC(=O)c2cc(O)cs2)nc2ccccc21	748321362	KVBQWSWVNLHSPH-UHFFFAOYSA-N	315.398	3.314	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc2c(c1)OC(F)(F)O2	748443434	OUNWBRBOVROQBS-UHFFFAOYSA-N	322.267	3.035	10	20	DGCD	
COC[C@@H](N[C@H](C)c1ccc(Br)cc1O)C(C)C	756599079	WSVJRCYYNPFKJE-ZWNOBZJWSA-N	316.239	3.476	10	20	DGCD	
C[C@H](O)CCCN[C@H](C)c1cc(Br)c(F)cc1O	788603774	DRZCYNAUPRZOPQ-DTWKUNHWSA-N	320.202	3.105	10	20	DGCD	
COc1ccc(N(Cc2ccccc2)Cc2n[nH]c(C)n2)cc1	794402869	AZRJUUMJQWWQHA-UHFFFAOYSA-N	308.385	3.329	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c(O)c1	796629710	IUBKJIYPCPSNPU-MJBXVCDLSA-N	320.433	3.272	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ccc(C[S@@](C)=O)cc2)c1	797134491	SQCXCIOQAGSUQW-RCDICMHDSA-N	317.454	3.430	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CCN(C(C)C)C2=O)c1O	808707574	SMDFLTISALHWKH-BXUZGUMPSA-N	310.825	3.014	10	20	DGCD	
Cc1cc(O)c(CN(C)C2CN(C(=O)OC(C)(C)C)C2)cc1C	811515072	MCNUQQLLQDKVET-UHFFFAOYSA-N	320.433	3.060	10	20	DGCD	
CN(Cc1ccnc(Br)c1)Cc1ccccc1O	815069658	DWKOEFSNKJIXDC-UHFFFAOYSA-N	307.191	3.182	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C(=O)O)C[C@@H](C)C2)cc1	817881741	NWQJVHQESOYSDF-ZBFHGGJFSA-N	304.434	3.075	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CCNCC[C@@H]3C)cc2)CC1	817902382	PAXUKAJZPJKRNC-FXAWDEMLSA-N	315.505	3.401	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1F	817938908	VJRQUPQGMVRSTA-FZKQIMNGSA-N	301.409	3.242	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@H](C)c2cc(F)ccc2O)s1	818355512	HAPRGKHNKXLEII-BDAKNGLRSA-N	324.377	3.186	10	20	DGCD	
O[C@@H](CNc1ccccc1OCCF)COc1ccccc1F	819487006	CHAWKRXOPUHVDU-ZDUSSCGKSA-N	323.339	3.026	10	20	DGCD	
OCCC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1	825338397	QCPSJLVGZGAQIX-SNVBAGLBSA-N	304.217	3.293	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@]1(C)CO	827699459	HQHNBKZJAYBOKB-XPTSAGLGSA-N	304.217	3.149	10	20	DGCD	
Cn1nc(CCN[C@H]2CCc3cccc(O)c32)c2ccccc21	834770024	RTRIAZUJUFOJQU-INIZCTEOSA-N	307.397	3.099	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(C)(C)C1	840481175	BYZIVAFNLNPIKT-AWEZNQCLSA-N	303.450	3.043	10	20	DGCD	
CC[C@@H](NCc1cc(Br)ccc1O)[C@@H](O)C(C)C	840967387	MDVPIHLDKGKQGV-OCCSQVGLSA-N	316.239	3.040	10	20	DGCD	
Cc1cccc2c1NC(=O)/C2=C/c1ccc(N2CCOCC2)cc1	841488262	KWSLLHXGSHUZBZ-QGOAFFKASA-N	320.392	3.324	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc(Cl)cc1O	841752801	CDCBEWZKTVXNPV-NEPJUHHUSA-N	312.841	3.249	10	20	DGCD	
COc1cccc(CN2CCCc3cc(CN)ccc32)c1OC	843057419	LKFQIZXCVQJNTL-UHFFFAOYSA-N	312.413	3.115	10	20	DGCD	
O=C(O)[C@@H]1CCC[C@H](NCc2ccc(N3CCCCC3)cc2)C1	843304032	RNAREHSOLMALJU-SJORKVTESA-N	316.445	3.410	10	20	DGCD	
COc1cccc([C@H](C)Nc2cccc(CCCO)c2)c1O	846162384	GSNFUWWRNIZEMD-ZDUSSCGKSA-N	301.386	3.499	10	20	DGCD	
CCCCNC(=O)C1CCN(Cc2cccc(CC)c2O)CC1	848882322	YUXISSONSAWYCX-UHFFFAOYSA-N	318.461	3.083	10	20	DGCD	
Cc1cccc(CCCNCc2cc(F)c(N(C)C)cc2F)n1	858162523	DQKOFAKPUIBBJM-UHFFFAOYSA-N	319.399	3.457	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(Cl)nn2)cc1F	877027035	IVXYXKCFOHXCKM-UHFFFAOYSA-N	322.815	3.405	10	20	DGCD	
O=C1N[C@H](c2ccc(Br)cc2O)Nc2ccccc21	877842195	ASMQCRLILOEVOL-CYBMUJFWSA-N	319.158	3.009	10	20	DGCD	
C[C@@H](NC(=O)Nc1nnc(C(F)F)s1)c1ccccc1O	878451145	HWOHCDOYPVXEHB-ZCFIWIBFSA-N	314.317	3.064	10	20	DGCD	
COc1ccc(CNCCc2cc(C)cc(C)c2)c(O)c1OC	892997926	KERYMLQKQKNEGE-UHFFFAOYSA-N	315.413	3.359	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CCc2cccnc2)C2CC2)cc1	914439442	YJKLGWLQDNNXTD-UHFFFAOYSA-N	323.440	3.271	10	20	DGCD	
CC(C)COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1	914845721	LIPCEDDFUFQFRF-UHFFFAOYSA-N	321.398	3.228	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2C[C@@H]2C)cc1	916639644	OFANGZWBEQCSRR-HOCLYGCPSA-N	303.450	3.330	10	20	DGCD	
CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccc(OC)c(C)c1	1004662357	ZDNNDAKPBJQVRZ-NVXWUHKLSA-N	318.461	3.273	10	20	DGCD	
COc1ccc(CNCCCNC(=O)CCC(C)(C)C)cc1C	1168796147	VQMJPTAEEXTEMK-UHFFFAOYSA-N	320.477	3.426	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCOC(C)(C)C1	1182025808	PSVCVOZZNMMXMN-INIZCTEOSA-N	318.461	3.306	10	20	DGCD	
COc1ccccc1CC(=O)Nc1c(Cl)ccc2nonc12	1339438540	QBPHZPDVWDBUDX-UHFFFAOYSA-N	317.732	3.066	10	20	DGCD	
Cc1ncc(/C=C\C(=O)Nc2c(Cl)ccc3nonc23)s1	1352345012	MUGSOMACFFCZFZ-DJWKRKHSSA-N	320.761	3.293	10	20	DGCD	
COc1cc(NCc2ccc(N(C)C)c(F)c2)ccc1C(=O)O	1599443542	HIZOMNAKHSXBNU-UHFFFAOYSA-N	318.348	3.211	10	20	DGCD	
CC1(C)CC[C@@](NCc2ccc3c(c2)CCCO3)(C(=O)O)C1	1776547020	NDRREOYEGJUOLI-SFHVURJKSA-N	303.402	3.135	10	20	DGCD	
CC(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	75282751	UAJCGRJUBAKQRC-UHFFFAOYSA-N	307.349	3.447	10	20	DGCD	
COCCOc1ccc(CN(C)Cc2ccccc2O)cc1	91974630	JZIVATSIADSVJI-UHFFFAOYSA-N	301.386	3.049	10	20	DGCD	
COc1cccc(CNCc2ccc(N(C)C)cc2C)c1O	115629356	KWGNRJCOQCUBMH-UHFFFAOYSA-N	300.402	3.065	10	20	DGCD	
COc1ccc(C[C@H](C)C(=O)N(C)Cc2ccccc2O)cc1	129611197	AZGHWHPNUIPGRD-AWEZNQCLSA-N	313.397	3.238	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(F)cc1Br	133773085	WNRODFBWCDSUMF-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
CCCc1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1	172910565	URJZKXRETJFTBD-UHFFFAOYSA-N	321.421	3.231	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2[nH]ccc12	176489084	ZJDRPYBZVRZXRY-UHFFFAOYSA-N	321.380	3.273	10	20	DGCD	
CCOc1cccc(CN(C)Cc2ccccc2[N+](=O)[O-])c1O	179315625	XDSPPJIQRKPCOP-UHFFFAOYSA-N	316.357	3.331	10	20	DGCD	
COc1ccc(O)c(CN2CCO[C@@H](c3ccccc3F)C2)c1	180024378	COPBMBARORTQFO-GOSISDBHSA-N	317.360	3.113	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2ccccc2F)c1	182458725	XBRNLMFEFUUOIG-GFCCVEGCSA-N	305.349	3.270	10	20	DGCD	
CC[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccccc1O	183316686	NZTQYPITDRMZCS-WMLDXEAASA-N	312.413	3.138	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccncc1F	184142282	IXHDQIQCJNEMMN-UHFFFAOYSA-N	314.364	3.143	10	20	DGCD	
C[C@@H](C[S@](C)=O)N[C@@H](C)c1ccc(N2CCCCCC2)cc1	184305446	XEGFMPQYYNKISI-WCJKSRRJSA-N	322.518	3.485	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC(C)(C)N2CCCCC2)c1	184847663	DKLLEJZDTMRGMA-AWEZNQCLSA-N	306.450	3.316	10	20	DGCD	
COc1ccc(O)c(CNCCCN(C)c2ccccc2)c1	237204158	AGRRONNCUXNTKZ-UHFFFAOYSA-N	300.402	3.017	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3cc4c(cc3O)CCCC4)CC[C@H]21	245547881	WSYMHDFXUPCKEP-IEBWSBKVSA-N	314.473	3.187	10	20	DGCD	
O=C1/C(=C/c2cccnc2)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2	255509171	NIWLMFXDLWALFU-ZOPRNOQISA-N	316.451	3.471	10	20	DGCD	
CC[C@@H](NC[C@@H](O)c1cccc(OC)c1)c1ccccc1O	271689737	KAPLHWMKPCLYFM-SJLPKXTDSA-N	301.386	3.175	10	20	DGCD	
CCC(CC)n1nc(C)cc1C(=O)NCc1ccccc1O	271807053	ISVOFQPDRQGKJQ-UHFFFAOYSA-N	301.390	3.188	10	20	DGCD	
CC[C@H](NCC(C)(C)C(N)=O)c1cc(Cl)cc(Cl)c1O	287792455	SVPAMVLCXGYHKU-NSHDSACASA-N	319.232	3.251	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC3(CCCCC3)C2)c1O	297421110	MKAKJTNZQKTYIZ-UHFFFAOYSA-N	306.362	3.075	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NCc2ccncc2)C2CC2)cc1	298881869	PUKDQOMMKCBZBG-UHFFFAOYSA-N	324.428	3.022	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1	360039884	ZNXGKPKSHDSFOD-OIISXLGYSA-N	305.418	3.084	10	20	DGCD	
Cc1ccnc(CNC(=O)NCc2c(C)c3ccccc3n2C)c1	454875597	NWGJLEAEYAGSMK-UHFFFAOYSA-N	322.412	3.190	10	20	DGCD	
CN(c1ccc(CNC(=O)C2=COCC2)cc1)C1CCCCC1	734126441	XJLYELCWNACION-UHFFFAOYSA-N	314.429	3.376	10	20	DGCD	
COC(=O)c1sc(C)cc1OCc1cc(C(=O)O)oc1C	737717843	OSPVRJSUVCZZMZ-UHFFFAOYSA-N	310.327	3.022	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc(C(=O)O)c(Cl)c1	739447569	IOWNFYHLOKCLJH-UHFFFAOYSA-N	320.732	3.066	10	20	DGCD	
COc1ccc(NC(=S)NCc2cccn2C)cc1Cl	743061275	HFFQYWOODPYAQL-UHFFFAOYSA-N	309.822	3.174	10	20	DGCD	
Cc1cc(O)c(CN(C)c2ccc(S(C)(=O)=O)cc2)cc1C	754747795	CPDMTIIAVNDMNQ-UHFFFAOYSA-N	319.426	3.049	10	20	DGCD	
C[C@H](NC[C@@H](C)CN1CCCCC1)c1cc([N+](=O)[O-])ccc1O	756434029	HTJUVRBXVIIDHA-KGLIPLIRSA-N	321.421	3.073	10	20	DGCD	
C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cc([N+](=O)[O-])ccc1O	756613916	RSKDWKNPVDKZID-XOPPTJLZSA-N	320.389	3.155	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](O)c2c(F)cccc2F)c(O)c1	756742133	ZJMHBJHTSLYUFN-MEDUHNTESA-N	307.340	3.363	10	20	DGCD	
CC[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1	762268009	ZEIQLXXIESZPBE-INIZCTEOSA-N	313.397	3.025	10	20	DGCD	
C[C@H](NC(=O)N1CC[C@@H](C2CC2)C1)c1ccc(N(C)C)cc1	773615376	WLPPVQAHXLSCGE-XJKSGUPXSA-N	301.434	3.255	10	20	DGCD	
CCN(CC)c1ccc(CNCC2CCN(C3CC3)CC2)cc1	775023486	KYIYWYKFTGZUOF-UHFFFAOYSA-N	315.505	3.497	10	20	DGCD	
CC[C@H](N[C@H](C)C(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	775527610	RTDBAAXGDQWLRQ-KCJUWKMLSA-N	319.232	3.216	10	20	DGCD	
CC[C@H](NC(=O)c1cccc(O)c1O)c1cc(F)ccc1F	776661506	QLWAKTBYMPVHSC-ZDUSSCGKSA-N	307.296	3.257	10	20	DGCD	
COCC[C@@H](Cc1ccco1)NCc1ccc(OC)c(C)c1	784625768	NZVBCRJRYZDTKL-INIZCTEOSA-N	303.402	3.334	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](c2ccnn2C)C(C)C)cc1C	788074016	BIINATGQVJYPPZ-INIZCTEOSA-N	301.434	3.272	10	20	DGCD	
COc1ccc(CNC(=O)C2(c3ccccc3C)CC2)c(O)c1	794388171	RJTOOHRBUJSXGQ-UHFFFAOYSA-N	311.381	3.057	10	20	DGCD	
CC[C@H](N[C@@H](CO)c1ccccc1OC)c1ccc(F)cc1O	796818462	UTHJHTZNBBGNRD-HOTGVXAUSA-N	319.376	3.314	10	20	DGCD	
CC[C@H](NCCc1ccc(CO)cc1)c1ccc(F)cc1O	796855890	RPJFTIRPXMUOJA-KRWDZBQOSA-N	303.377	3.307	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H]1CCCN(C(C)C)C1=O	801599501	QNGLFWQLDNOWJP-KRWDZBQOSA-N	318.461	3.394	10	20	DGCD	
CCOC1CC(N(C)Cc2cc(Cl)cc(C(C)=O)c2O)C1	805820570	QWAVFXHPOVIWLW-UHFFFAOYSA-N	311.809	3.248	10	20	DGCD	
Cn1ncc2ccc(CNCc3cc(Cl)cc(F)c3O)cc21	812771491	WBRTZQJRAWDOKA-UHFFFAOYSA-N	319.767	3.361	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCNCC[C@@H]2C)cc1F	817903191	JOEXHFAMTHSZCH-YOEHRIQHSA-N	307.457	3.150	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cccc(F)c1F	817940444	GIRSGXAIQINSEX-PXAZEXFGSA-N	319.399	3.381	10	20	DGCD	
C[C@H](NCC1=CCNCC1)c1cc(Cl)c(Cl)cc1O	817967170	DLZXFTVPNUESFY-VIFPVBQESA-N	301.217	3.269	10	20	DGCD	
CCN[C@H](C)CN[C@@H](CC)c1ccc(C(F)(F)F)cc1O	817973788	WPFMSKLOTJDCQP-MFKMUULPSA-N	304.356	3.450	10	20	DGCD	
O[C@@H](CCc1ccccc1)CNCCCSc1nccs1	819062167	BXKODBUKMJRCKR-HNNXBMFYSA-N	322.499	3.209	10	20	DGCD	
COc1cccc([C@H]2C[C@H](NCc3cccc(OC)c3O)C2)c1	825091020	RNTIEQWJILVCKC-WKILWMFISA-N	313.397	3.445	10	20	DGCD	
CC(C)[C@@H](N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	827821025	LJZSXIYFGRNCMD-GOSISDBHSA-N	317.477	3.055	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O	831322632	XJMSASLOJFWCBS-KBRIMQKVSA-N	321.392	3.027	10	20	DGCD	
CCCn1c(C)nnc1CN(CC1CC1)c1ccc(OC)cc1	831588369	YBSVRJSNHZKZKI-UHFFFAOYSA-N	314.433	3.422	10	20	DGCD	
COc1cccc(O)c1CN1CC(Cc2ccc(F)c(F)c2)C1	839145601	UPWYQSTXZJRPOH-UHFFFAOYSA-N	319.351	3.354	10	20	DGCD	
CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)c1ccc(F)cc1O	840845601	BZUCFLCHYGCKEV-LSKLOWJMSA-N	301.361	3.494	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](CN2CCCCC2)C1	840917893	UZBVNRYOTIMIJH-GOSISDBHSA-N	315.505	3.369	10	20	DGCD	
CCOc1ccc(CN[C@@H](CCCN)c2ccccc2)c(O)c1	841087839	VTHGNVLWEUUAQX-SFHVURJKSA-N	314.429	3.361	10	20	DGCD	
CCOCc1cc(CNCc2ccc(CO)cc2)ccc1OC	842732558	RJHSVDNZYKVZPF-UHFFFAOYSA-N	315.413	3.014	10	20	DGCD	
CC[C@H]1C[C@@H](CC(=O)NCc2cc(Cl)ccc2O)CCO1	846473056	IBBCKTJQPNIDFW-FZMZJTMJSA-N	311.809	3.257	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](CO)CCC(C)C)CC2)cc1	858240612	BOMUAYVXFUICAM-QGZVFWFLSA-N	320.477	3.051	10	20	DGCD	
CCOc1ccc(CCC(=O)NCc2cc(C)ccc2O)cc1	862758835	NIOIFLYDLNXQPT-UHFFFAOYSA-N	313.397	3.348	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2CCC=CO2)c(C)n1-c1ccccc1	863165774	NRDNPEKMDSKKIY-GOSISDBHSA-N	310.397	3.403	10	20	DGCD	
Cc1cccc(O)c1CNc1cccc(N2CCCNC2=O)c1	876869869	WDEGTLGFUIFJSK-UHFFFAOYSA-N	311.385	3.232	10	20	DGCD	
COc1cc(OC)c(OC)cc1CNCc1ccc(C)cc1O	876885500	YDSSEGZDRGHVDW-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cnc2Cl)c1	878730342	HEZCFHTUMGATHQ-SNVBAGLBSA-N	320.776	3.249	10	20	DGCD	
COc1ccc(CN[C@H]2CCO[C@@H](CC(C)C)C2)c(O)c1OC	893320646	SDENPDXBEBWFDC-GJZGRUSLSA-N	323.433	3.093	10	20	DGCD	
O=C(O)c1cnc(NCc2c(O)ccc3c2CCCC3)s1	910362038	HVVLMLOSMITQLG-UHFFFAOYSA-N	304.371	3.038	10	20	DGCD	
CC(C)[C@@H](N[C@H](C)c1cc(F)cc(F)c1O)c1cnn(C)c1	927069170	LKKLJLGBNNQOSW-MEBBXXQBSA-N	309.360	3.452	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1coc(C=O)c1	935856083	VEDIWXLNWCPEPD-UHFFFAOYSA-N	301.342	3.240	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1c2ccccc2nn1C	1320379996	IQCGSPPYIZIGRO-UHFFFAOYSA-N	323.396	3.331	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](C)[C@H](O)C(F)(F)F	1335523348	VPJWBUUIGDQMFX-RBQUTUCGSA-N	303.324	3.150	10	20	DGCD	
Cc1nc(CN2CCOc3cc(N(C)C)ccc32)c(C)s1	1337207316	ZNTCPMHYVHDVSM-UHFFFAOYSA-N	303.431	3.225	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@H](C(=O)O)c2ccccc2)cc1F	1598317378	FKLOLODDGQRIOV-KRWDZBQOSA-N	316.376	3.149	10	20	DGCD	
Cc1csc([C@H](C)N[C@H](C)c2cc(C(=O)O)ccc2O)n1	1600654042	DAGFMZSXJYAIJA-ZJUUUORDSA-N	306.387	3.267	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(=O)O)cs2)c(OC)c1	1607267663	AAJVQFYKCIJPPY-UHFFFAOYSA-N	307.371	3.100	10	20	DGCD	
Cc1cc2c(cc1N[C@H](C)c1cc(C(=O)O)ccc1O)OCO2	1607712113	ZQQGCNOBGNFGNI-SNVBAGLBSA-N	315.325	3.301	10	20	DGCD	
CN(C)c1ccc2c(c1)CN([C@H]1CC[C@@H](CC(=O)O)C1)CCC2	1777041164	CVHCCELARMFHIX-KDOFPFPSSA-N	316.445	3.144	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1Cl	41374095	VIPAKYHNVQTGAD-UHFFFAOYSA-N	316.788	3.429	10	20	DGCD	
C[C@@H]1CN(c2ccc(CNCc3ccco3)cc2F)C[C@@H](C)O1	69751729	ZPHQINLGFLRWQS-ZIAGYGMSSA-N	318.392	3.322	10	20	DGCD	
Oc1ccc(Br)cc1CNC[C@@H]1CCCS1	152601477	SJQVVKPJNSQPNY-NSHDSACASA-N	302.237	3.140	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c1O	175847769	LWBMTVWFUMPVIM-GXTWGEPZSA-N	320.433	3.415	10	20	DGCD	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccccc1O	179585137	PISXLGGYPIOIFG-ZSEKCTLFSA-N	303.427	3.323	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]2CCCC[C@H]12	180507609	LQUBEQVKKWFFSM-XKMBLQBNSA-N	301.386	3.148	10	20	DGCD	
COC(=O)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)s1	182436214	VRIDIGAFHMUUSZ-JTQLQIEISA-N	321.398	3.100	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@@H](C)c2cc(Cl)ccc2O)cc1	184948110	IOQGGPVYOUMVAS-GTNSWQLSSA-N	321.804	3.438	10	20	DGCD	
C[C@H](NC[C@@H](CCO)c1ccccc1)c1cc(F)ccc1O	185526338	PRBKLIVASOGXTL-DZGCQCFKSA-N	303.377	3.348	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCc2ccccc21)c1cc(F)ccc1O	186166153	FLUYDYBYOUISHH-XIKOKIGWSA-N	301.361	3.016	10	20	DGCD	
CSC[C@@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21	187953410	OCHJLVOZAQBLNZ-NSHDSACASA-N	321.364	3.062	10	20	DGCD	
CO[C@@H](C)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	195446223	OLVQNLSOFVBFDP-HNNXBMFYSA-N	318.461	3.497	10	20	DGCD	
CCOc1ccc(CNCc2cccc(OC)c2O)cc1OC	236959987	QPHYYJMYGRLAEM-UHFFFAOYSA-N	317.385	3.098	10	20	DGCD	
Cc1ccoc1CN[C@H](C)c1ccc(N2CCOCC2)cc1	266209811	NUIMVJDMAIPHJR-OAHLLOKOSA-N	300.402	3.275	10	20	DGCD	
COc1ccc(OC)c(CN[C@H](C)c2cc(OC)ccc2O)c1	271711974	ONFIVJMPDRMSSO-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2ccc(F)cn2)C2CC2)cc1	272907917	FTEZTLANMIADAF-UHFFFAOYSA-N	313.376	3.092	10	20	DGCD	
CC[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(F)cc1O	286013617	JJTKDRYUHSQHNP-CYBMUJFWSA-N	312.385	3.097	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC=C(c2ccco2)C1	367651677	VFRRSBXDHXRMPM-SOFGYWHQSA-N	311.337	3.020	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCCCCN	386254848	WRICIPVWFYFZKU-UHFFFAOYSA-N	305.466	3.010	10	20	DGCD	
CCOc1ccccc1NC[C@@H](O)COc1cccc(C)c1	386896166	HWQXRRYWTQQEME-OAHLLOKOSA-N	301.386	3.246	10	20	DGCD	
COc1ccc(CNCc2ccccc2O)c(Br)c1	388037872	YDISGPZCTUDCJY-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
COCC(C)(C)N(C)Cc1cc(Br)cc(F)c1O	715726556	UTEIMSUIOZZQPG-UHFFFAOYSA-N	320.202	3.151	10	20	DGCD	
C[C@H]1CSC[C@H]1NCc1cc(Br)cc(F)c1O	715768163	BWRKFSWABCGALW-WRWORJQWSA-N	320.227	3.135	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCSC2)cc1	742778659	RAEGRBSKPIHENL-OAHLLOKOSA-N	300.427	3.329	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3scnc3Cl)ccc21	746814222	HNLCBFKPZQCSON-UHFFFAOYSA-N	321.833	3.109	10	20	DGCD	
O=C(NCc1ccccc1O)c1[nH]c2ccccc2c1Cl	748842121	XLYYKBVKUMBGGG-UHFFFAOYSA-N	300.745	3.457	10	20	DGCD	
C[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O	756775696	RGPVJCJTWNIDQQ-IAQYHMDHSA-N	323.795	3.439	10	20	DGCD	
CC(C)c1nc([C@H](C)N[C@@H](C)c2cc(F)cc(F)c2O)n[nH]1	756777650	KFFGFZZOLVJOFM-IUCAKERBSA-N	310.348	3.324	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC=C(F)C2)cc1F	764727045	XGRGSXKIBKBRQX-UHFFFAOYSA-N	323.387	3.441	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@H]2C(C)C)c1O	774885998	UNKWFFDMZBNGBN-ZDUSSCGKSA-N	308.378	3.320	10	20	DGCD	
CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(Cl)c1O	775513985	PXZOSMLCYNSRIJ-GMSGAONNSA-N	305.205	3.004	10	20	DGCD	
C[C@](O)(CCNCc1c(O)cccc1Cl)c1ccccc1	778213193	CXZVWHZMDXKAJI-KRWDZBQOSA-N	305.805	3.433	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(N(C)C)c(F)c1	779432629	XXRQHRLMGXKJBB-KBXCAEBGSA-N	322.424	3.103	10	20	DGCD	
CC1(C)CCC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1	784365319	JYCFAEZTOFHFPD-GFCCVEGCSA-N	306.358	3.040	10	20	DGCD	
Cc1ccc(C(=O)OCCCCC(=O)OC(C)(C)C)c(O)c1O	785271781	GOCQEBLTJAVSTR-UHFFFAOYSA-N	324.373	3.075	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)C2)c(O)c1	792903719	KWMYDKYGPLIPLQ-CHWSQXEVSA-N	306.406	3.026	10	20	DGCD	
Cc1ccccc1-n1nccc1/C=C1\SC(=S)N(C)C1=O	794859117	JLTDVIFGRWZFGG-LCYFTJDESA-N	315.423	3.012	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1	795063295	BYENFSUDGKSDNM-CQSZACIVSA-N	316.367	3.294	10	20	DGCD	
CCOc1cccc(CNC[C@@H](CO)CC2CCCC2)c1O	798504269	ZHPGLPPWGTVKPN-HNNXBMFYSA-N	307.434	3.069	10	20	DGCD	
CC[C@@H](NC(=O)c1cc(O)cs1)c1ccc(OC)c(OC)c1	807683380	YRNWDWBQPWPDDF-GFCCVEGCSA-N	321.398	3.352	10	20	DGCD	
Cc1cccc(CN(CC(=O)N2CCCCCC2)C(C)C)c1O	809714664	NTBNANNTXUTLNH-UHFFFAOYSA-N	318.461	3.314	10	20	DGCD	
C[C@@H](N[C@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1O	815620212	KKVCTNYBXVFGKK-SFYZADRCSA-N	313.266	3.078	10	20	DGCD	
Cc1cccc([C@H](O)CNCc2cc(Cl)c(F)cc2O)c1	816556609	OMRNXLOWWZUPHS-MRXNPFEDSA-N	309.768	3.316	10	20	DGCD	
CCCC[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC	816569734	VDWXJDVMFBJWDI-GFCCVEGCSA-N	303.761	3.006	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c1	817940791	HSXVBHSSCKEOEE-KSSFIOAISA-N	313.445	3.117	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC[C@H]3C[C@H]4C=C[C@H]3C4)C2)cc1	818219412	FIUHEMAIYRXHNL-XLAORIBOSA-N	312.457	3.323	10	20	DGCD	
CCCC[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819591494	SNSCOLOOUXAYCL-HOTGVXAUSA-N	318.461	3.464	10	20	DGCD	
C[C@@H]1C(=O)CC[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1(C)C	827940477	DPGVMFGVVPHELE-BZPMIXESSA-N	303.402	3.211	10	20	DGCD	
CC[C@@](C)(CC(=O)O)NCc1ccc(N2CCCCC2)cc1	828664612	CXKRBZZBNWSICC-SFHVURJKSA-N	304.434	3.410	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccc(N(CC)CC)cc1)C(F)F	836243062	TWAJFHPFMHYEJK-AWEZNQCLSA-N	313.392	3.376	10	20	DGCD	
Cc1cc(Br)c(O)c(CN2[C@H]3CC[C@H]2CC(=O)C3)c1	839131361	IZXQRNPSCMDQET-RYUDHWBXSA-N	324.218	3.159	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCCC(F)(F)[C@H]2O)c2c(O)ccc(F)c21	840886656	KQHXSBSUPMVGRN-APKCBFJXSA-N	315.335	3.218	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ncc(Cl)n1C	840975162	DFQWMXVJESZAKW-CYBMUJFWSA-N	320.868	3.169	10	20	DGCD	
C[C@@H]1CCCC[C@H]1N1CCC(NCCc2ccc(N)cc2)CC1	841033880	CSEZILQTKKIYCD-OXQOHEQNSA-N	315.505	3.444	10	20	DGCD	
C[C@H]1C[C@@H](NCCc2ccc(N)cc2)CCN1Cc1ccccc1	841037183	YYBGEDFZLWCHNS-UWJYYQICSA-N	323.484	3.454	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](CCCN)c2ccccc2)c1	841086754	KZXAOOBNPVDJOF-SFHVURJKSA-N	314.429	3.361	10	20	DGCD	
CCC[C@H](NC(=O)NCCc1ccc(N)cc1)c1ccccn1	841788259	FVXSKLXBUWPTKU-KRWDZBQOSA-N	312.417	3.047	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2ccccc2F)cc1	844853568	ZNCFRNLWHRNGCO-UHFFFAOYSA-N	316.376	3.043	10	20	DGCD	
CCCNC(=O)c1ccc(NCc2cc(OC)ccc2O)cc1	845991481	TZZWZBJBPQAWGQ-UHFFFAOYSA-N	314.385	3.153	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](O)c2ccccc2C)c1O	846146994	UBSLOJPYVSKLDM-XJKSGUPXSA-N	301.386	3.093	10	20	DGCD	
C[C@@H](N[C@@H](CO)CCF)c1ccc(N2CCCCCC2)cc1	846207982	DIJNNGDRLVECFA-NVXWUHKLSA-N	308.441	3.438	10	20	DGCD	
COC1CCN(c2ccc(CN3CC[C@H]4C[C@@H]4C3)cc2)CC1	852634127	KQBNJTHCRKNLIO-DLBZAZTESA-N	300.446	3.144	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@@H]2CCCN(CC3CC3)C2)c1	853093531	MJKDPFCXKUAYNK-INIZCTEOSA-N	318.461	3.003	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1occc1C	854948257	MTTMMUGIGUGPCC-HNNXBMFYSA-N	314.429	3.252	10	20	DGCD	
CCOc1ncccc1CNCc1cc(F)c(N(C)C)cc1F	858093853	AFIYRGJKYMBDJR-UHFFFAOYSA-N	321.371	3.114	10	20	DGCD	
CC(C)[C@H](NCc1c(O)cccc1Br)C(C)(C)O	858160176	PPGWTZXNDZUIDG-ZDUSSCGKSA-N	316.239	3.040	10	20	DGCD	
COC(=O)CC1CCC(N[C@H](C)c2cc(OC)ccc2O)CC1	862369042	SDIVFRNIZLKLQX-IYXRBSQSSA-N	321.417	3.173	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)c1	863336993	XGFCHVGEDZRQMI-AWEZNQCLSA-N	322.449	3.354	10	20	DGCD	
C[C@H](NC[C@H](C)CC1(C)OCCO1)c1cc(Cl)ccc1O	866424018	CPDOCTRQZGGKIU-NEPJUHHUSA-N	313.825	3.485	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1C[C@H]1c1cccc(F)c1)c1ccccc1O	868165221	ZYEJTECMRHLWQG-RLCCDNCMSA-N	314.360	3.448	10	20	DGCD	
COc1ccc(CNCc2ccoc2C)cc1Cn1cccn1	873020136	GUKPSOJSXPEAQM-UHFFFAOYSA-N	311.385	3.131	10	20	DGCD	
CSC(C)(C)CCN(C)Cc1ccc(N2CCOCC2)cc1	876551087	JUYBDWIUALSREG-UHFFFAOYSA-N	322.518	3.487	10	20	DGCD	
CCCCN(Cc1ccccc1O)c1ccnc(COC)n1	893716791	JDCCUWFLDKASAR-UHFFFAOYSA-N	301.390	3.135	10	20	DGCD	
COc1cc(C)cc(CNCCC2C[C@@H](C)O[C@H](C)C2)c1O	894683619	BYAMKTWKZMBQEW-ZIAGYGMSSA-N	307.434	3.393	10	20	DGCD	
COc1ccc(CN2CCC[C@]3(CCSC3)C2)c(O)c1OC	894772688	MLSWHJRMNVRPEX-KRWDZBQOSA-N	323.458	3.129	10	20	DGCD	
COc1cc(C)cc(CN2C[C@H](O)C[C@H]2c2ccccc2)c1O	894993315	JCBQXVKQFMAFCO-SJORKVTESA-N	313.397	3.017	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)c2ccccc2F)cc1	905375028	GGMCPVXUHSNSHR-KRWDZBQOSA-N	316.376	3.197	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	910946370	NHZJORZRPPNYEQ-VBNZEHGJSA-N	303.402	3.321	10	20	DGCD	
CSc1ccc(CCC(=O)NCCc2ccc(N)cc2)cc1	911782416	ILSNCUDFSBENFY-UHFFFAOYSA-N	314.454	3.282	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2cn(C)c3ccccc23)cc1	920758182	DZKXHMPHRMNPGB-UHFFFAOYSA-N	321.424	3.103	10	20	DGCD	
CC(C)[C@H](N[C@@H](C)c1cc(F)cc(F)c1O)c1cnn(C)c1	927069169	LKKLJLGBNNQOSW-BONVTDFDSA-N	309.360	3.452	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@H]2CC[C@H](C)C2)cc1C	1167597128	QIFAMTSPKRACIX-YOEHRIQHSA-N	318.461	3.036	10	20	DGCD	
CC[C@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	1262605539	CXJWTAQNCQVXOS-IRXDYDNUSA-N	322.424	3.008	10	20	DGCD	
COC(=O)N1CCCN(Cc2cc(C(C)C)c(C)cc2O)CC1	1318183294	VCOWNBGEKZEFSG-UHFFFAOYSA-N	320.433	3.098	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C3CC(C)(C)C3)CC2)cc1	1322457786	HUOFSHHLLWNCJC-UHFFFAOYSA-N	316.445	3.170	10	20	DGCD	
Cc1cc(C(=O)Nc2c(Cl)ccc3nonc23)nn1C(C)C	1325786614	IWWPDGYFGFYNBF-UHFFFAOYSA-N	319.752	3.214	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc([N+](=O)[O-])s1	1327160752	QTNCHHOBNAIVKQ-UHFFFAOYSA-N	324.705	3.098	10	20	DGCD	
CC(C)(O)[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1330652177	KFWAZGONLZOJLF-KRWDZBQOSA-N	302.462	3.270	10	20	DGCD	
O[C@@H]1CCCC[C@@H]1CCNCc1ccc(N2CCCC2)cc1	1335132036	JITVSNHPFGWAOO-IEBWSBKVSA-N	302.462	3.318	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc(C)n1	1336994266	YAMLFHMGNDEIMX-UHFFFAOYSA-N	309.413	3.229	10	20	DGCD	
CO[C@@H]1CCC[C@H](CC(=O)Nc2c(Cl)ccc3nonc23)C1	1342953725	ZITHKAWSDVIPQV-VHSXEESVSA-N	323.780	3.410	10	20	DGCD	
Cc1c[nH]c(-c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)n1	1579819179	JUWMMUPACIYMOV-UHFFFAOYSA-N	306.369	3.149	10	20	DGCD	
CCN(C)c1ccc(CN(C)Cc2ccc(C(=O)O)o2)cc1	1776855639	HLXAGBTUKSOUPJ-UHFFFAOYSA-N	302.374	3.066	10	20	DGCD	
C[C@@H]1COCCN1Cc1c(O)ccc2oc3c(c12)CCCC3	54462367	BCCFUNYCZCLSLV-GFCCVEGCSA-N	301.386	3.238	10	20	DGCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(C)=O	60721167	VZVUZJDEYVORCM-UHFFFAOYSA-N	318.398	3.022	10	20	DGCD	
C[C@H](Cc1ccccc1F)C(=O)NCc1ccc(N(C)C)cc1	78041053	CUXUXXRYKFZFTC-CQSZACIVSA-N	314.404	3.387	10	20	DGCD	
C[C@H]1CN(c2ccc(CNCc3cc[nH]c3)cc2F)C[C@H](C)O1	86251275	XCNGSGVAIVFWEP-KBPBESRZSA-N	317.408	3.057	10	20	DGCD	
COC[C@H]1CCCN(Cc2cc(Br)ccc2O)C1	93337316	BZTOVPMINLCGCR-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
Fc1cc(CN(CC2CC2)CC2CC2)ccc1N1CCOCC1	93480105	JQMDUMGKQHXFEE-UHFFFAOYSA-N	318.436	3.284	10	20	DGCD	
O=C1N[C@H](c2ccc(O)c(O)c2)Nc2c1sc1ccccc21	172860837	MYDFKNHMPUGVAY-OAHLLOKOSA-N	312.350	3.167	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1Cc2ccccc2O1	175867487	CVZJHFVRFAOOJA-SFHVURJKSA-N	311.381	3.135	10	20	DGCD	
CNCCCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	178740966	QUMHWDQHRQRLOT-UHFFFAOYSA-N	317.477	3.071	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(NC(C)=O)cc2)c1	184916151	SWKUQKUKYGGNPG-LBPRGKRZSA-N	314.385	3.210	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1CCN(C2CC2)c2ccccc21	186812474	OXKGWIAJDZNKIG-JXMROGBWSA-N	305.381	3.110	10	20	DGCD	
COC[C@@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@H](C)O1	190219193	MQJZEDXUZGUWAE-HOCLYGCPSA-N	307.434	3.060	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1	207724839	OMOZWGGWASKVCC-VURMDHGXSA-N	324.336	3.255	10	20	DGCD	
CC[C@@H](C)Oc1ccc(C(=O)NCCc2ccc(N)cc2)cc1	236921973	ATFQYPAVINRRQO-CQSZACIVSA-N	312.413	3.419	10	20	DGCD	
COc1ccc(CN[C@H]2CCO[C@@]3(CCSC3)C2)cc1C	269114345	DANXIMKEZQPJTG-RDJZCZTQSA-N	307.459	3.148	10	20	DGCD	
COc1ccc([C@H](O)CN[C@H](C)c2ccc(C)c(C)c2O)cc1	273415886	QXEPICARAHCEKL-RDTXWAMCSA-N	315.413	3.402	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@@H](N(C)C)CC2)c(O)c1	277625337	XIPOIFMBVCJDFH-MRXNPFEDSA-N	306.450	3.097	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N1CCSCC1	285285958	SPHQSTHHLNWFOU-UHFFFAOYSA-N	321.490	3.132	10	20	DGCD	
CC[C@H](NC[C@@H](O)c1ccc(OC)cc1)c1ccc(F)cc1O	285811586	VVSITTMKXJSASW-FUHWJXTLSA-N	319.376	3.314	10	20	DGCD	
CC[C@@H](c1ccncc1)N(C)Cc1cc2c(cc1O)OCO2	290536016	QZMIPLYYEQYYDQ-AWEZNQCLSA-N	300.358	3.099	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H](O)c1cc(F)cc(Cl)c1)CC2	296247269	BCEYGGXIDIWEES-GOEBONIOSA-N	321.779	3.495	10	20	DGCD	
Cc1nc(NCCCSc2nccs2)ccc1[N+](=O)[O-]	301625399	AOZKJIMNXIMXBD-UHFFFAOYSA-N	310.404	3.349	10	20	DGCD	
CCCN(Cc1ccccc1O)c1ccc([N+](=O)[O-])c(C)n1	301778957	RXTFCMKQGAXYRC-UHFFFAOYSA-N	301.346	3.420	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1	377836163	ZGRTZDRQUNOPCC-CABCVRRESA-N	305.418	3.039	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)c2ccco2)c1	528859020	FUEOKLSJDFVDRD-VXGBXAGGSA-N	303.358	3.365	10	20	DGCD	
CC[C@@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccc(O)c(O)c1	588479720	AAIGUJGACKAVFZ-SECOEOQKSA-N	323.392	3.475	10	20	DGCD	
CC[C@H](NCc1cc(Cl)cc(Br)c1O)[C@H](C)O	708173082	VCBRGYZCAXHVKV-CPCISQLKSA-N	322.630	3.057	10	20	DGCD	
CC(C)[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)N1CCCC1	756397927	ANYLJJXAMUZNDC-CZUORRHYSA-N	321.421	3.071	10	20	DGCD	
Cc1ccc([C@H](C)NC2CCN(CC(F)F)CC2)c(O)c1C	756504802	YWTFKOQHWZGDOO-ZDUSSCGKSA-N	312.404	3.389	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C)[C@H](C)C1)c1cc2c(cc1O)CCCC2	756611145	KEPOWSMPXSUDHX-JKIFEVAISA-N	302.462	3.404	10	20	DGCD	
COc1cccc(CNC(=O)NCC2(C)CCCCC2)c1O	757742506	QAWCRSINTBREEF-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
CC[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(N(C)C)cc1	766587401	XMKDKEHRJQJBNA-MDASCCDHSA-N	301.478	3.276	10	20	DGCD	
CC[C@H]1C[C@H](C)CN1Cc1ccc(N2CCOCC2)c(F)c1	769447614	HYJWUQNHMLUSJU-HOCLYGCPSA-N	306.425	3.283	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1CCCc2ccc(F)c(F)c21	770382370	FCIRLOFFKITYAF-VMPITWQZSA-N	300.308	3.352	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)Cc1ccco1)c1ccc(N(C)C)cc1	773193787	YJGXXVQUWNEWQQ-KGLIPLIRSA-N	315.417	3.337	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCCCCC1	774486733	XMDRHKHZNRUSFV-HZPDHXFCSA-N	317.477	3.194	10	20	DGCD	
CC[C@@H](N[C@H](CO)c1ccccc1OC)c1ccccc1O	775523096	GFSWFPHYXZYEDK-HZPDHXFCSA-N	301.386	3.175	10	20	DGCD	
CN(C)[C@H](CNCc1c(O)cccc1Cl)c1ccsc1	775879513	PYRMAUVDHHRNDH-CQSZACIVSA-N	310.850	3.500	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCc2ccon2)c1O	779028146	ZGXFTMBJWDVSSM-SECBINFHSA-N	311.179	3.302	10	20	DGCD	
C[C@H]1CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1	780784143	JRXHNJYXHWQNKT-JSGCOSHPSA-N	302.418	3.259	10	20	DGCD	
O=C1C[C@@H](NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CN1	789833873	NWKRFJDTOUZMIO-OAHLLOKOSA-N	323.356	3.112	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)N(CC)CC	801599309	JWCCXNSTWKPEIW-HNNXBMFYSA-N	306.450	3.251	10	20	DGCD	
CN1C(=O)CCN(Cc2cc(Cl)ccc2O)c2ccccc21	809786324	XWBVFENUDNRJFJ-UHFFFAOYSA-N	316.788	3.419	10	20	DGCD	
CC[C@@H](CN[C@@H](C)c1cc(Br)cc(F)c1O)OC	810260051	CKHMHTCIEKPIBF-WPRPVWTQSA-N	320.202	3.369	10	20	DGCD	
CC[C@@H](N[C@@H](CN)C1CC1)c1ccc(Cl)c(Cl)c1O	817961223	VOKZYOFCBJWJSA-NEPJUHHUSA-N	303.233	3.477	10	20	DGCD	
CN(Cc1cc(Cl)ccc1O)C[C@@](C)(O)c1ccccc1	822515953	FYSUKPQQLANRIY-QGZVFWFLSA-N	305.805	3.385	10	20	DGCD	
CC[C@@H]1C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1	823730360	VHYUNNCTZFGDRD-KVSKMBFKSA-N	318.461	3.131	10	20	DGCD	
Cc1cc(O)c(CN2CCCC[C@@H]2C2OCCO2)cc1Cl	824682569	IBAYVYUGUZFVOL-CQSZACIVSA-N	311.809	3.081	10	20	DGCD	
COc1cc(F)cc(C[C@H](C)NCc2cccc(OC)c2O)c1	825325498	CZFPZUWIVXSRHT-LBPRGKRZSA-N	319.376	3.269	10	20	DGCD	
Cc1cc(O)c(CNCC(=O)N(C)C2CCCCC2)cc1Cl	825327639	ZGBKZLUZCGUQAV-UHFFFAOYSA-N	324.852	3.235	10	20	DGCD	
COc1ccc(N(Cc2ncc(Cl)n2C)CC2CC2)cc1	831582659	BIUVKLZTSSINJC-UHFFFAOYSA-N	305.809	3.499	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2ccc3c(c2)CCCN3C)[C@@H]1SC	838918638	UAMPLBXTFFWAAM-JQHSSLGASA-N	320.502	3.068	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CCCc3ccc(Cl)c(F)c32)cn1	839436914	BAHSEXLVELAJAU-QPJJXVBHSA-N	319.767	3.205	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1C[C@@H](O)C[C@H]1c1ccccc1	840959647	ZFBSDZUIIRGGOB-BBRMVZONSA-N	321.779	3.493	10	20	DGCD	
CO[C@](C)(C1CC1)[C@H](C)NCc1cc(Cl)cc(F)c1O	840961029	PKBJIANFXWJULI-VFZGTOFNSA-N	301.789	3.478	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cnc2ccccn12	840977726	XIZJCOOQGCBALI-MRXNPFEDSA-N	322.456	3.430	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CCN)C(F)(F)F)cc1F	841090073	DULXELCPPPYOOD-AWEZNQCLSA-N	321.362	3.041	10	20	DGCD	
COc1ccc(CC[C@H](C)NC(=O)Nc2ccc(N)cc2)cc1	841301189	FIXAFACIEAMAMD-ZDUSSCGKSA-N	313.401	3.420	10	20	DGCD	
COc1ccc(CCCN(C)C(=O)Nc2ccc(N)cc2)cc1	841301208	FVDBQZNUOSLQAE-UHFFFAOYSA-N	313.401	3.374	10	20	DGCD	
C[C@@H](N[C@H](CO)Cc1ccccc1)c1ccc(Cl)cc1O	841751539	HVQFRIAKDYVIPD-DOMZBBRYSA-N	305.805	3.300	10	20	DGCD	
CC[C@H](C)C[C@@H](CO)NCc1cccc(Br)c1O	842755367	XYCGRGUXAPGZRF-JQWIXIFHSA-N	316.239	3.041	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)n1ccnc1	846096578	XJRQUCMLNTTXMQ-OAHLLOKOSA-N	315.417	3.369	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N[C@@H](C)c1cccc(OC)c1O	846145062	JXJMEHGQDQNRDK-GOEBONIOSA-N	315.413	3.309	10	20	DGCD	
C[C@](Cc1ccccc1)(NC(=O)Cc1ccc(N)cc1)C1CC1	852914359	UISPJLXCEGTGFI-HXUWFJFHSA-N	308.425	3.339	10	20	DGCD	
Cc1ccc(C(=O)N2CC(F)C2)cc1-n1c(C)cc(C=O)c1C	860754878	RUEGNPYDNHEQRS-UHFFFAOYSA-N	314.360	3.009	10	20	DGCD	
CCOc1ccc(C(=O)NCc2cc(C)ccc2O)cc1OC	862761014	AJVJYPOOQJTJMC-UHFFFAOYSA-N	315.369	3.038	10	20	DGCD	
Cc1ncc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)s1	866454458	CQLUGAMZZWRUOP-BDAKNGLRSA-N	307.375	3.477	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1Cc1ccc(N2CCC(O)CC2)cc1	877413925	UANNOJGDJOUDET-HNAYVOBHSA-N	302.462	3.268	10	20	DGCD	
C[C@@H](NC[C@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1	883246853	UBVAQEIQVJUHOM-CABCVRRESA-N	304.409	3.279	10	20	DGCD	
COc1cc(C)cc(CN2CCCC[C@H]2c2ncc[nH]2)c1O	893987264	QDMQSDDZKSMAEQ-AWEZNQCLSA-N	301.390	3.160	10	20	DGCD	
CCOc1cccc(CNCc2cnn(CC3CCC3)c2)c1O	897433212	SBPAOVSYOZKKKK-UHFFFAOYSA-N	315.417	3.077	10	20	DGCD	
CC(C)(CCNCc1cc(F)cc(F)c1O)CCC(=O)O	903993839	NAYLNVQPJKJSFO-UHFFFAOYSA-N	301.333	3.041	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnoc1C1CC1	1116330826	KRBCPWYVEPKIQY-UHFFFAOYSA-N	313.401	3.280	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCC[C@@H](F)C2)c1O	1118201994	NFFPSHDVMHLUOF-GHMZBOCLSA-N	302.733	3.324	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCOC2)c1	1335452626	XVNLACQRZONIHW-CYBMUJFWSA-N	318.804	3.266	10	20	DGCD	
O[C@H](CNCc1ccc(N2CCCCC2)cc1)CC(F)(F)F	1335893913	WVIQGERAPLVECN-HNNXBMFYSA-N	316.367	3.080	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1	1680281301	YHAZRISTAVLPAM-CJQITXGSSA-N	301.434	3.157	10	20	DGCD	
C[C@@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(N(C)C)cc1	90541855	XVWIDHYURJXJHZ-QGPMSJSTSA-N	320.502	3.458	10	20	DGCD	
CCC(=O)N1CCCN(Cc2cc(C(C)C)c(C)cc2O)CC1	128728700	JASIHCCGXSJMBC-UHFFFAOYSA-N	318.461	3.268	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H]2CCCc3sccc32)c(O)c1O	137412568	UNNBDEPVYKEXLV-GFCCVEGCSA-N	303.383	3.275	10	20	DGCD	
CC[C@H](Nc1ccc(N2CCOCC2)cn1)c1ccccc1O	157132335	BWCUMFJKYXLBMI-INIZCTEOSA-N	313.401	3.187	10	20	DGCD	
Cc1cccc([C@@H]2CCCN2Cc2cc3c(cc2O)OCO3)n1	164825135	VRURDKLAPOYJPV-HNNXBMFYSA-N	312.369	3.161	10	20	DGCD	
COc1c(C)cnc(CN(C)Cc2ccc(N(C)C)cc2)c1C	171233922	NXVUVEQJAIDIHC-UHFFFAOYSA-N	313.445	3.405	10	20	DGCD	
CC(=O)c1ccccc1C(=O)NCc1ccc(N(C)C)c(F)c1	172720965	JUGLYWOAZXIKTQ-UHFFFAOYSA-N	314.360	3.024	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@H](CCO)c2ccco2)c1O	185125903	FVVNGOGHSBKQEP-CQSZACIVSA-N	323.776	3.055	10	20	DGCD	
C[C@@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O	228792495	MTXOBJCILKRUEW-CYBMUJFWSA-N	320.433	3.442	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1	248517235	PGFJTRQWEVZCGE-JYJNAYRXSA-N	320.477	3.239	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCCc2cccc(F)c21	255309723	QVPVSWKAMFCPIT-SREVYHEPSA-N	300.308	3.352	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)c1O	267203725	PEKBVCDNJZYAGG-YVEFUNNKSA-N	319.376	3.142	10	20	DGCD	
C/C=C(\C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	267514615	LILADKPFSCNVEN-LUFMRPCYSA-N	316.445	3.226	10	20	DGCD	
OCCCN(Cc1cccc(Cl)c1)Cc1ccccc1O	271472585	ZMSIWQFIMDZIQQ-UHFFFAOYSA-N	305.805	3.430	10	20	DGCD	
CSCC(C)(C)C(=O)NCc1ccc2c(c1)CCCN2C	281762838	CJQGWBUBYJHTHO-UHFFFAOYSA-N	306.475	3.074	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](O)c2ccc(Cl)cc2)cc1C	292490590	BOFWVGDUWGNZDS-KRWDZBQOSA-N	305.805	3.486	10	20	DGCD	
CC(C)CC(=O)N1CCC(N[C@@H]2CCc3cccc(O)c32)CC1	297613707	IPOACQGZUGFTJN-MRXNPFEDSA-N	316.445	3.006	10	20	DGCD	
CC(C)OCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	298294419	AKLMMHVPZVWBIL-UHFFFAOYSA-N	306.450	3.305	10	20	DGCD	
CSC1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1	319401075	FPUPUKGHTLWYAA-HWKANZROSA-N	322.386	3.024	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCN1CC=CCC1	392240692	NBGFUTPFNSCJDU-UHFFFAOYSA-N	301.217	3.051	10	20	DGCD	
CC(C)COCCCNCc1ccc(Br)cc1O	691487332	DQPARKWXRJIITR-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)OCCC(C)C)c1	728981829	FLWWOTSJYGFYBE-CHWSQXEVSA-N	309.406	3.029	10	20	DGCD	
Cc1cc(C)n(CCN(Cc2ccc(N(C)C)cc2)C(C)C)n1	731751856	GKAXVWFAYMQOAB-UHFFFAOYSA-N	314.477	3.477	10	20	DGCD	
Cc1ccc([C@H](C)C(=O)NCc2ccc3c(c2)CCCN3C)o1	742597392	XMJMUKKUXRABNM-AWEZNQCLSA-N	312.413	3.390	10	20	DGCD	
CC(C)(C)[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	756353630	LSCPETRNBRWUKZ-INIZCTEOSA-N	304.434	3.266	10	20	DGCD	
CC(C)(C)C[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	756367899	WZQYEHDPBXVYHM-SNVBAGLBSA-N	303.761	3.164	10	20	DGCD	
COC[C@H](C)CN[C@@H](C)c1cc(Br)c(F)cc1O	756464860	IATSZCWWORVZES-BDAKNGLRSA-N	320.202	3.227	10	20	DGCD	
CC(=O)NCc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1	757606146	YQPUKEUIOGVBMW-LLVKDONJSA-N	302.349	3.341	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CC(=O)N1CCC[C@@H](C)C1	766270927	WZGJCAXLEWATLO-OAHLLOKOSA-N	316.445	3.096	10	20	DGCD	
CCN(CCC(=O)OC)Cc1ccc(N(CC)CC)c(F)c1	768992819	PDAIEIYAARLGKX-UHFFFAOYSA-N	310.413	3.057	10	20	DGCD	
C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccccc1O	770504549	IZLISEHPMQFEJR-UONOGXRCSA-N	320.433	3.127	10	20	DGCD	
C[C@H]1CCCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775998996	UFJFFVLXGRDFAG-KRWDZBQOSA-N	301.478	3.060	10	20	DGCD	
C[C@](CO)(NCc1cc(Cl)cc(F)c1O)c1ccccc1	776175188	JDTFHZBEBSZPRW-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)NCc1ccc(N(C)C)cc1C	784005264	KBXLZPUDEDCXEZ-SOFGYWHQSA-N	309.413	3.094	10	20	DGCD	
CCC(CC)(NCc1cc(Cl)cc(Cl)c1O)C(=O)O	789903161	VJZVXXBXXKMDRN-UHFFFAOYSA-N	306.189	3.432	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@H]1Cc2ccccc2O1	790948616	CCAHGVRWYYXLCR-LLVKDONJSA-N	307.752	3.278	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H](O)CCc1ccccc1	790986886	YUBOVJFROHFIGD-ZDUSSCGKSA-N	323.795	3.268	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCOC[C@H](C2CCC2)C1	793744006	PDNPIWUBWYXWHQ-MRXNPFEDSA-N	312.413	3.189	10	20	DGCD	
Cc1cc(C(=O)OCC(=O)C2(C)CC2)c(C)n1-c1ccccn1	795426911	VPOSYRCPPPHIMK-UHFFFAOYSA-N	312.369	3.015	10	20	DGCD	
CC[C@H](N[C@H](CCO)CSC)c1cccc(Cl)c1O	806139442	AOHCBJOULBEIHJ-MFKMUULPSA-N	303.855	3.200	10	20	DGCD	
Cc1ccn(C)c1C(=O)NCc1cc(Cl)cc(Cl)c1O	807836178	QLDIHNXOEKUDMA-UHFFFAOYSA-N	313.184	3.276	10	20	DGCD	
COc1ccccc1CN(Cc1ccc(N(C)C)cc1)OC	810107900	AGIXVNRWQIKRKQ-UHFFFAOYSA-N	300.402	3.325	10	20	DGCD	
COc1cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(O)cc1C	811777274	IGVCSWNYWUGYPI-WBVHZDCISA-N	305.418	3.099	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCN(C2CCCC2)CC1	816483933	KUSNAHQPCHEEAD-UHFFFAOYSA-N	312.816	3.245	10	20	DGCD	
CN(CC[C@H]1CCCCN1C)Cc1cc(Cl)c(F)cc1O	816514709	FTKPBAINXSRUMO-CYBMUJFWSA-N	314.832	3.491	10	20	DGCD	
O=C1COc2ccc(NCc3ccc4ccccc4c3O)cc2N1	816536639	FLXOINCGSKKTNB-UHFFFAOYSA-N	320.348	3.488	10	20	DGCD	
Cn1ncc(CNCc2cc(Cl)cc(Cl)c2O)c1Cl	816612166	IHJXOCQKHCCUCW-UHFFFAOYSA-N	320.607	3.376	10	20	DGCD	
CC[C@@H](NC[C@@H](N)C1CC1)c1cc(Cl)cc(Cl)c1O	817964574	CPUDPJMRFJKJSI-CHWSQXEVSA-N	303.233	3.477	10	20	DGCD	
COCCN(C)Cc1ccc(N(C)Cc2cccs2)cc1	823395285	RUWGVECLIFSYPQ-UHFFFAOYSA-N	304.459	3.463	10	20	DGCD	
CCC1(CNCc2ccc(N(C)C)cc2C(F)(F)F)COC1	825078903	FDXYILUAUPBIJG-UHFFFAOYSA-N	316.367	3.288	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(CF)cc1	829239925	VUFUNNGMEUXNHR-UHFFFAOYSA-N	314.360	3.261	10	20	DGCD	
Cc1ccc(N[C@H]2CCc3cccc(O)c32)cc1N1CCNC1=O	834787524	OULHRBOCNYYANJ-HNNXBMFYSA-N	323.396	3.330	10	20	DGCD	
C[C@@H](CCCO)CN[C@H](C)c1cccc(C(F)(F)F)c1O	834870813	KNWHJIDBWLSEEQ-WDEREUQCSA-N	305.340	3.470	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)CCC=C(C)C)c1	838474259	HYVQMWOVAJYVKH-CYBMUJFWSA-N	306.406	3.335	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)C1CC1	840243893	QGBPMJXENKBUET-KGLIPLIRSA-N	303.450	3.090	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc(Br)cc1O)c1ccn(C)n1	840817466	TXABJUNBEIZNFE-UWVGGRQHSA-N	324.222	3.300	10	20	DGCD	
CCOc1cccc(CN[C@@H](CCCN)c2ccccc2)c1O	841086833	MZDIRGYCMBZXQQ-KRWDZBQOSA-N	314.429	3.361	10	20	DGCD	
C[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccc(Cl)cc1O	841756714	ZQJRATKHCXBNKR-GFCCVEGCSA-N	324.852	3.487	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CC2CCC2)C(=O)O)cc1	841817008	GZVIRRBJOMKYBP-KRWDZBQOSA-N	304.434	3.266	10	20	DGCD	
C[C@H](N)C[C@H](C)NCc1ccc(OCc2ccccc2)cc1O	843129969	VUJTWOPRHYYCRJ-GJZGRUSLSA-N	314.429	3.187	10	20	DGCD	
COC/C(C)=C\C(=O)NCc1ccc(N2CCC(C)CC2)cc1	845461157	ZWAOFICVZODJHK-VBKFSLOCSA-N	316.445	3.132	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cccc(N(C)C)c2)c1O	846146053	PMDGQDTUJOKRML-CYBMUJFWSA-N	300.402	3.318	10	20	DGCD	
COC(=O)CCCCN1CCCc2cc(OC(F)F)ccc21	859174231	WXYQOKBLSNEGAW-UHFFFAOYSA-N	313.344	3.384	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)Cc2ccnc(OC)c2)c1	877533382	NUYUBUJZRBDJFH-STQMWFEESA-N	316.401	3.086	10	20	DGCD	
COc1cc(C)cc(CNCc2cccc(CN(C)C)c2)c1O	894384326	JNFZSUVZNBWFOC-UHFFFAOYSA-N	314.429	3.061	10	20	DGCD	
CN(C)c1ccc(CN(Cc2cnc[nH]2)Cc2ccco2)cc1	894764072	RYKVBJSWSVIZJW-UHFFFAOYSA-N	310.401	3.271	10	20	DGCD	
COc1ccc(CNc2ccc3c(c2)C[C@@H](C)O3)c(O)c1OC	897110285	RJPIEZZQLWTZNX-LLVKDONJSA-N	315.369	3.345	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@H](C)N(C(=O)C=C(C)C)C2)cc1C	987918979	PFZNQPLFSIKPDW-DOTOQJQBSA-N	316.445	3.049	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3c(C)noc3C)CC2)cc1	1207139794	ILCLYJRFMOEQHK-UHFFFAOYSA-N	315.417	3.012	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3cncc(C)c3)CC2)cc1	1207160803	DRMQRAKPHXAVSO-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
CC(C)c1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](N)C2)c1	1575858869	SSLCGYIBCFGZDE-ZIAGYGMSSA-N	316.367	3.227	10	20	DGCD	
O=C(O)CC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	1601976599	MXSFSIFCWUTRBK-JTQLQIEISA-N	315.772	3.262	10	20	DGCD	
CCOc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1	104969949	IKZSLOAESUEDGA-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
COC(=O)c1ccoc1CN1CCCc2cc(OC)ccc21	27960004	HBAWUGKTQYTWDP-UHFFFAOYSA-N	301.342	3.028	10	20	DGCD	
CCOc1ccc2c(c1)CN(Cc1cc(OC)ccc1O)CC2	179911805	FDYLXNAJVOQODS-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)n1-c1ccc(F)cc1	39538327	ZVYYMMJBENATIK-ZDUSSCGKSA-N	316.376	3.094	10	20	DGCD	
COc1ccc([C@H](C)CCNC(=O)c2cccc(O)c2O)cc1	185731631	ILKMLCOVSZWTER-GFCCVEGCSA-N	315.369	3.030	10	20	DGCD	
Cn1c(=O)oc2cc(NCc3c(O)cccc3Cl)ccc21	127869687	SPQIPTINWALIQQ-UHFFFAOYSA-N	304.733	3.103	10	20	DGCD	
CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)c(F)c1O	187754925	DDANUTCSZLZXBW-SKDRFNHKSA-N	322.359	3.010	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1cccs1)c1ccc(F)c(F)c1O	187730380	UVGPZCGVVMTWKU-VFZGTOFNSA-N	313.369	3.290	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H](CO)Cc2c[nH]c3ccccc23)c(O)c1	185464579	JCKJCBHTNUODRR-GOEBONIOSA-N	324.424	3.436	10	20	DGCD	
CN(CC(=O)N1CCCC1)c1ccc(OCc2ccccc2)cc1	189644984	KWMDLKJPIYTXMW-UHFFFAOYSA-N	324.424	3.324	10	20	DGCD	
C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cc(F)ccc1O	321873087	OSSKALKSIJNVHT-LLVKDONJSA-N	315.348	3.234	10	20	DGCD	
C[C@H](CN1CCCC1=O)N[C@H](C)c1ccc2ccccc2c1O	193918270	QTZYUANMHPZPBF-ZIAGYGMSSA-N	312.413	3.207	10	20	DGCD	
COC[C@H](C)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	195698574	YRBFJYGWXHZMPQ-CYBMUJFWSA-N	300.402	3.106	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C[C@@H]1CCCO1	97989737	FDSNHXARGUSYDT-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
Fc1cc(CN2CCC3(CCC3)C2)ccc1N1CCOCC1	93455886	FAYJUNBZBYWQQE-UHFFFAOYSA-N	304.409	3.038	10	20	DGCD	
C[C@@H](NC(=O)CC(C)(C)C)c1ccc(N2CCOCC2)cc1	145465018	ASPBUFQXNNOYTO-CQSZACIVSA-N	304.434	3.137	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2ccc(OC)cc2O)C1(CC)CC	236988201	SQAQWNGWIIWHPU-IRXDYDNUSA-N	307.434	3.474	10	20	DGCD	
COc1cccc(CNC(=O)/C=C\c2ccc(Cl)cc2)c1O	255512752	RCRWLDJEJFFHCU-YFHOEESVSA-N	317.772	3.384	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC1CCSCC1	265006616	KAJBPRYOZZZKNU-UHFFFAOYSA-N	322.474	3.457	10	20	DGCD	
Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(N(C)C)c(F)c1	362333920	FOGNDMXTRPGMQG-KRWDZBQOSA-N	316.424	3.271	10	20	DGCD	
O=C(O)CCCCCNCc1ccc(N2CCCCC2)cc1	277038152	QPLDSDXGAOBJRI-UHFFFAOYSA-N	304.434	3.412	10	20	DGCD	
COc1cc(OC)c(NC(=O)c2cccc(O)c2O)cc1Cl	388351932	ADJSGDUICQDANG-UHFFFAOYSA-N	323.732	3.021	10	20	DGCD	
CCOC1CC(C(=O)NCc2cc(Cl)cc(Cl)c2O)C1	807841072	QULZKUCPKMEAPP-UHFFFAOYSA-N	318.200	3.130	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1O	296402570	UUSDDFDLEDMGQK-WQVCFCJDSA-N	323.820	3.151	10	20	DGCD	
Cc1cc(CN2CC[C@@H](N3CCCC3)[C@H]2C)ccc1N(C)C	815118668	QYRMEVIPPBEJTF-VQIMIIECSA-N	301.478	3.120	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCCC(=O)C2)c1	813489249	UCNVTBKZULUWMO-CHWSQXEVSA-N	319.401	3.118	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCN1	817894299	LEIRYSHWIKUNEA-IPMKNSEASA-N	301.478	3.071	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(COCCO)cc2)cc1F	818233088	ATFVBXJBXVYRHH-UHFFFAOYSA-N	318.392	3.013	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1CC(=O)O	722630135	BDPSQXNBVVIVRF-RKDXNWHRSA-N	318.200	3.242	10	20	DGCD	
CCn1ccnc1[C@@H](C)NCc1cccc(Br)c1O	825006184	ZILJMXFOEKWCBS-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
CCCCC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O	901724580	BNCZYNCPPOEVAY-IWAYRVGRSA-N	304.434	3.389	10	20	DGCD	
COC1CCN(c2ccc(CNC3(C4CC4)CC3)cc2)CC1	828802851	RFRUBXVBUMSILD-UHFFFAOYSA-N	300.446	3.334	10	20	DGCD	
C[C@@H](NCc1cn(C)cn1)c1ccc(Cl)c(Cl)c1O	903350693	DSFQPPJRGSZDGS-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
COc1cc2c(c(OC)c1)N(CCCc1ccncc1)CCC2	839656674	RDRMOIZUIQLBKD-UHFFFAOYSA-N	312.413	3.484	10	20	DGCD	
CCc1cccc(CNCc2cccc(C(=O)NC3CC3)c2)c1O	848895158	QBWSRSUIWBTBBQ-UHFFFAOYSA-N	324.424	3.137	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCCCN	841994552	JAOFFSFKDPHJNV-HNNXBMFYSA-N	321.465	3.221	10	20	DGCD	
O=C(NCc1nc2ccccc2s1)NCc1ccccc1O	748462237	CPNCLVLLQZHSPT-UHFFFAOYSA-N	313.382	3.001	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSCC(C)(C)C	840206666	HWJZPTBXNUMDQE-UHFFFAOYSA-N	308.491	3.490	10	20	DGCD	
COc1ccc(CN[C@@H]2CNCC[C@@H]2c2ccccc2)cc1C	849350118	QJUFHESRTCACNN-RTBURBONSA-N	310.441	3.239	10	20	DGCD	
CCOc1ccc(CN[C@@H](CC(=O)OC(C)C)C(C)C)c(O)c1	848927449	ZZDGYQCTZXVNDF-INIZCTEOSA-N	323.433	3.247	10	20	DGCD	
Cc1cc(C(=O)NCCN(C)C)c(C)n1-c1ccc(Cl)cc1	920399394	RFRRENGODDNNDK-UHFFFAOYSA-N	319.836	3.039	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@@H](CO)Cc2ccco2)c2c(O)ccc(F)c21	756659293	CQHLPTKZDZUUQW-TYNCELHUSA-N	319.376	3.113	10	20	DGCD	
C[C@H](N[C@@H](CO)CC(F)(F)F)c1cc2c(cc1O)CCCC2	756774380	CKSOZRDQFXFGEC-GXFFZTMASA-N	317.351	3.235	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCOC3(CCOCC3)C2)c(O)c1	756765784	RBPUWQBWIMVGIV-GJZGRUSLSA-N	305.418	3.079	10	20	DGCD	
CO[C@H]1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1	751946634	ZZEISROXNPROOY-LBPRGKRZSA-N	301.386	3.238	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(C)C[C@H]2CC[C@H]1C2	935945181	NTPCVJUCBBVERL-ZJNRKIDTSA-N	308.418	3.320	10	20	DGCD	
Cc1ccnn1-c1ccccc1NC(=O)NCc1ccccc1O	753028379	IHMIYGBWUZTNKC-UHFFFAOYSA-N	322.368	3.208	10	20	DGCD	
C[C@@]1(CNCc2cc(Cl)cc(F)c2O)CCO[C@H]1C1CC1	768540590	JMOJNWIXWOTSSZ-HOTGVXAUSA-N	313.800	3.480	10	20	DGCD	
COc1ccc(CNC2CC(CNC(=O)C(C)(C)C)C2)cc1C	1100903869	ZFFQXNORSRTJQS-UHFFFAOYSA-N	318.461	3.034	10	20	DGCD	
CC[C@H](NC[C@@H](CO)Cc1ccco1)c1ccc(N(C)C)cc1	768840615	GEYFIHMLWAIKQU-KXBFYZLASA-N	316.445	3.238	10	20	DGCD	
Cc1ccc(CN2CCO[C@@H](c3ccccc3F)C2)c(O)c1	876682784	OGYGLXSVHMBTCB-GOSISDBHSA-N	301.361	3.413	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc(OCCN(C)C)c(F)c1	877585908	QERPHAPWMGETRD-UHFFFAOYSA-N	318.392	3.392	10	20	DGCD	
COc1cc(F)cc(OC)c1CN(C)Cc1ccccc1O	876615382	CPPIOZNTYNHDCI-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
C[C@@H](NC(=O)CC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1	773028235	ZJEBGSAXKVDEAT-PBHICJAKSA-N	304.434	3.279	10	20	DGCD	
C[C@@H](NCCCOc1ccc2c(c1)OCO2)c1ccccc1O	879648783	DQLWMFPMGKQPOV-CYBMUJFWSA-N	315.369	3.241	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H](O)Cc1cccc(Cl)c1)CC2	872129180	VWBJZZHCAPSVRS-HOTGVXAUSA-N	317.816	3.226	10	20	DGCD	
C[C@@H](NCc1nc(-c2ccco2)no1)c1ccc(N(C)C)cc1	775830513	LAXACVPRHWZCGI-GFCCVEGCSA-N	312.373	3.246	10	20	DGCD	
Cc1cc(NCc2ccccc2O)ccc1-n1nnnc1C(C)C	784637846	HRSVYLWXAWEQEG-UHFFFAOYSA-N	323.400	3.412	10	20	DGCD	
CC(C)[C@@H](Cn1cccn1)NCc1ccc2c(c1)CCCN2C	788582620	HTGINTQONVLTAO-GOSISDBHSA-N	312.461	3.080	10	20	DGCD	
CN(Cc1cnc2ccc(Cl)cn12)c1ccc2c(c1)OCO2	780778889	WRUZAJBGWIVGDB-UHFFFAOYSA-N	315.760	3.353	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC(NC3CCC3)CC2)c1O	897980942	GJPFZMBPPZYULE-UHFFFAOYSA-N	324.852	3.161	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC(NC2CCC2)CC1	897980522	ADDFXTCKFZQQMI-UHFFFAOYSA-N	301.478	3.168	10	20	DGCD	
CC[C@@H](C)n1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C	791582960	KOLJSAPDPSUTDK-BPOWMSRESA-N	315.373	3.226	10	20	DGCD	
COc1cccc(O)c1CNC[C@H]1CCC2(CCCCC2)O1	790996643	ZKOGFZVMMSYFBW-CQSZACIVSA-N	305.418	3.372	10	20	DGCD	
CN(Cc1oncc1C(=O)O)c1ccc(-c2nccs2)cc1	1606179264	JRCNFUPLRHXOQI-UHFFFAOYSA-N	315.354	3.133	10	20	DGCD	
O=C(O)c1cnc(SCc2ccc(F)cc2[N+](=O)[O-])s1	1602536554	ARSQPAHQFHQUGS-UHFFFAOYSA-N	314.319	3.181	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc([S@@](C)=O)cc1	160548856	XGINOKLIHLBKJL-PEBXRYMYSA-N	316.470	3.341	10	20	DGCD	
CC[C@@H]1C[C@@H](NCc2cccc(Br)c2O)CCO1	824291785	HLDSLNMSYVTDND-NWDGAFQWSA-N	314.223	3.202	10	20	DGCD	
C[C@@H]1N(Cc2cccc(Br)c2O)CCOC1(C)C	707700044	NPAGOGQKEHSDKM-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(Br)cc2O)CCCO1	691675429	IQIJDWZMJGFQTD-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1ccc(N(C)C)cc1	112856707	VTFZSQHCSJCSCQ-QAPCUYQASA-N	318.461	3.306	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC1(Cl)Cl	28333297	SZBLRPLPZKIOJN-CYBMUJFWSA-N	313.228	3.097	10	20	DGCD	
Oc1cccc(Cl)c1CNCCCCNc1ccccn1	119027923	AXFRARYNNIYDRZ-UHFFFAOYSA-N	305.809	3.423	10	20	DGCD	
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)/C=C/c1cncc(F)c1	178228125	YCMDNZMEDUQGCJ-DIECRNLCSA-N	312.344	3.356	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)cccc1F	60678669	AEIQAQRUXTTZNP-UHFFFAOYSA-N	304.340	3.303	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(O)nc2)cc1	303687118	KTCUJAHXMCELNK-UHFFFAOYSA-N	321.380	3.125	10	20	DGCD	
CN(Cc1cc(C(C)(C)C)cc(O)c1O)Cc1cccn1C	128308674	UXZQGJLECCUAGJ-UHFFFAOYSA-N	302.418	3.366	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	121850448	FTVFRFCLOCEVOY-BZSNNMDCSA-N	300.446	3.108	10	20	DGCD	
C[C@H](NCCc1ccc2c(c1)OCO2)c1cc(F)ccc1O	184896975	HHXLFUWSPNBTMZ-NSHDSACASA-N	303.333	3.153	10	20	DGCD	
C[C@@H](NCC1(CO)CCC1)c1ccc(N2CCCCC2)cc1	184526100	QAZSEJGLQPDYDZ-MRXNPFEDSA-N	302.462	3.490	10	20	DGCD	
C[C@@H](NCCCC(=O)N1Cc2ccccc2C1)c1ccccc1O	183601248	CGJXPUAFHCVPPB-OAHLLOKOSA-N	324.424	3.365	10	20	DGCD	
COC(=O)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(C)(C)C	136870168	NGIFGUCEXUHJRL-GFCCVEGCSA-N	320.216	3.376	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)c1cccc(N2CCCC2)c1	237660447	YLPNQIIZRLXYTG-HNNXBMFYSA-N	323.440	3.289	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1	238118261	JNVBLHHTVZHDAH-CQSZACIVSA-N	300.324	3.049	10	20	DGCD	
CC(C)c1nocc1C(=O)NCc1c(O)ccc2c1CCCC2	528863655	OTMMFADGBBDLEF-UHFFFAOYSA-N	314.385	3.312	10	20	DGCD	
CCc1c(C(=O)NCc2c(C)c3ccccc3n2C)ccn1C	356175150	YDSJUJUQWPTKBC-UHFFFAOYSA-N	309.413	3.318	10	20	DGCD	
CO[C@@H](C)c1nc(CNCc2ccc(N(C)C)cc2)cs1	267633534	OQWIXDOCBCQRAW-LBPRGKRZSA-N	305.447	3.206	10	20	DGCD	
CC(C)[C@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	265968116	SXBCLRTUYRYVHE-HNNXBMFYSA-N	301.434	3.249	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cn(C)nc1C(F)F	274468042	IZOXZPMOPHXXDA-UHFFFAOYSA-N	308.376	3.056	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC(Oc2ncccc2F)CC1	278307242	SCPNCGIZWZFUGR-UHFFFAOYSA-N	320.339	3.109	10	20	DGCD	
Cc1ccc([C@H](C)NCCN(C)C(=O)OC(C)(C)C)c(O)c1	185314004	YCNOBGHRYFVWLB-ZDUSSCGKSA-N	308.422	3.218	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](C)c2ccc(Br)cc2O)CCO1	273522849	UQJAPYAGIBGWEF-FOGDFJRCSA-N	314.223	3.373	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N)c(C)c1	389725389	PLIPIKTUSJZRPG-UHFFFAOYSA-N	311.429	3.306	10	20	DGCD	
COc1ccc(O)c(CN2CCCN(C)c3cc(F)ccc32)c1	809785827	DCPMSKQRTJCBTD-UHFFFAOYSA-N	316.376	3.386	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1nn(CC)nc1C	296686947	HEMDZXSGQNQUSN-UHFFFAOYSA-N	302.422	3.114	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](c2ccccc2)C(C)(C)CO)c1	809655726	OYSUMFCBBGTQMY-SFHVURJKSA-N	315.413	3.250	10	20	DGCD	
Cc1nc(CC(C)C)c(C(=O)NCc2ccc(N)cc2)s1	297251735	QQRFBUKPVBYYRZ-UHFFFAOYSA-N	303.431	3.162	10	20	DGCD	
CCCCN(C)C[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1O	810245060	PAXWTPNVXVMLJS-VXGBXAGGSA-N	300.393	3.441	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2csc(C(C)=O)c2)c1	815835309	PEEPIVURLMETRD-VIFPVBQESA-N	319.382	3.156	10	20	DGCD	
C[C@H](NCC[C@H]1CCNC1)c1cccc(C(F)(F)F)c1O	817954828	KVMUXBJIKFOINV-WDEREUQCSA-N	302.340	3.061	10	20	DGCD	
CCN(Cc1ccccc1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1	825439466	CXAQSRVFQKCRHE-CYBMUJFWSA-N	323.400	3.155	10	20	DGCD	
Cc1cc(O)c(CN2CCCC23CCN(C)CC3)cc1Cl	825622059	RZPUFWJWDAQUCF-UHFFFAOYSA-N	308.853	3.414	10	20	DGCD	
CCC[C@@H](CNC1CCN(c2ccc(OC)cc2)CC1)OC	824544338	VJHPZNSCRDGADM-SFHVURJKSA-N	306.450	3.069	10	20	DGCD	
Cc1ccn2ncc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c2c1	828860536	DTSSWSZLVUHEJD-CQSZACIVSA-N	322.412	3.200	10	20	DGCD	
C[C@H]1CCCN(c2ccc(CN[C@H](C)C(=O)O)cc2Cl)C1	904237770	TVMDKBJAZSYSSA-NWDGAFQWSA-N	310.825	3.139	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)[C@H](C)c2ccccc2)cc1F	828040675	LIYYBTKNCNUNFG-DYVFJYSZSA-N	303.377	3.435	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCCCCC(C)(C)C)c1	734070772	LKFYMFXEUCQURW-UHFFFAOYSA-N	308.422	3.416	10	20	DGCD	
COc1ccc2ccc(O)c(CN(CCC(=O)O)C(C)C)c2c1	738079821	TUFZBTNHVSUEAU-UHFFFAOYSA-N	317.385	3.239	10	20	DGCD	
CC(C)c1ncc(NCc2ccc(N3CCOCC3)cc2)cn1	902247416	QCXLJHOHJWKYQM-UHFFFAOYSA-N	312.417	3.049	10	20	DGCD	
Cc1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1N(C)C	839201529	MULMQDOEWJCXNB-AZUAARDMSA-N	316.489	3.434	10	20	DGCD	
CN(Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)N	849350830	XSOHWWWGVOVYEW-UHFFFAOYSA-N	314.429	3.140	10	20	DGCD	
CCn1cc(CN(Cc2cccc(OC)c2O)C(C)C)cn1	846055092	IQFSUWZTSDHNRW-UHFFFAOYSA-N	303.406	3.028	10	20	DGCD	
COCCN(Cc1cccc(C)n1)c1ccc(OC)c(OC)c1	746478299	SAYWADDUWJGPBY-UHFFFAOYSA-N	316.401	3.060	10	20	DGCD	
Cc1cc(CN(C)C[C@H](C)C(=O)O)ccc1N1CCCCC1	846224886	BZAIIZHVUZPXKP-HNNXBMFYSA-N	304.434	3.138	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)c1O	842887586	ZNZPSZVUQUXOHE-SMDDNHRTSA-N	324.852	3.404	10	20	DGCD	
CC[C@@H](NCc1nccc(C(F)(F)F)n1)c1ccccc1O	840870072	UTNGNKANMLEAFL-LLVKDONJSA-N	311.307	3.442	10	20	DGCD	
CC1=C(C)C[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	843851876	SLFIXYFDODRJIP-ZFWWWQNUSA-N	303.402	3.282	10	20	DGCD	
C[C@H](CCc1ccco1)NC(=O)NCc1cc(Cl)ccc1O	844860442	BXLMEKVGSWSMMT-LLVKDONJSA-N	322.792	3.459	10	20	DGCD	
CC(C)CN1CC(=O)N[C@H]1c1cc(-c2ccccc2)ccc1O	749698898	BCXUKZHHSRQQLR-LJQANCHMSA-N	310.397	3.146	10	20	DGCD	
C[C@@H](NC[C@@]1(C)CCOC1)c1cc(Br)ccc1O	756576455	UNZIDDPFJJFTJZ-QMTHXVAHSA-N	314.223	3.232	10	20	DGCD	
CC1=NO[C@@H](CNC(=O)c2sccc2-n2c(C)ccc2C)C1	854792033	PFHZAEVZTTXKFL-CYBMUJFWSA-N	317.414	3.050	10	20	DGCD	
CN(C)c1ccc(/C=C\c2ncc(/C=C\C(=O)O)s2)cc1	751035023	DRJVFHZYRZCWJR-UDRCNDPASA-N	300.383	3.477	10	20	DGCD	
CC(C)n1ccc(CNCc2cc(F)c(N(C)C)cc2F)n1	858141747	SEIXSSQHZGKSKP-UHFFFAOYSA-N	308.376	3.098	10	20	DGCD	
CO[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1	752473924	NYFQBKFOYJBZDB-MRXNPFEDSA-N	316.376	3.094	10	20	DGCD	
CC1(C)OC[C@@H](CN(Cc2ccccc2O)C2CCCC2)O1	851771619	KJGXLNLSNBPEHX-MRXNPFEDSA-N	305.418	3.288	10	20	DGCD	
C[C@H](NC[C@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1O	756787780	RTODRVPFEFIGSK-JQWIXIFHSA-N	313.344	3.007	10	20	DGCD	
COc1ncccc1CN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756394781	YEUODJXHRMOPIF-MFKMUULPSA-N	302.349	3.273	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C)[C@@H](CO)C2)cc1F	857061896	WIQPMBMSOPGPBK-GDBMZVCRSA-N	308.441	3.122	10	20	DGCD	
C[C@@H](NC1COC(C)(C)OC1)c1cc2c(cc1O)CCCC2	757698278	OONNBBUKGYFCBV-GFCCVEGCSA-N	305.418	3.073	10	20	DGCD	
Cc1cccc(NCCN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)n1	756746200	IOEKDYMBGDHKQB-SMDDNHRTSA-N	315.392	3.485	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)c2cccc(O)c2)c1	934941018	VDGQBASLCOBBCW-NWDGAFQWSA-N	315.369	3.087	10	20	DGCD	
CCCCn1ncc(C(=O)NCc2cc(C)ccc2O)c1CC	862757525	XDHWMKIOMDKAFI-UHFFFAOYSA-N	315.417	3.190	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H](CCO)c2ccco2)c2c(O)ccc(F)c21	769412767	ISTBOFFZSXGPHL-KGYLQXTDSA-N	305.349	3.386	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](N(C)C)C2)cc1F	769302215	PQXHCQHCAKNXDB-MRXNPFEDSA-N	307.457	3.198	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC[C@@H]3C3CC3)cc2)CC1	876690457	VTLLIFLSWRWSCS-LJQANCHMSA-N	300.446	3.022	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1ccccc1O	875401562	BXQOJAITHZMJRW-YDISMWLMSA-N	322.408	3.481	10	20	DGCD	
CO[C@](C)(CNCc1ccc(N2CCSCC2)cc1)C1CC1	876942815	GGJSCKCIEBZUIJ-GOSISDBHSA-N	320.502	3.145	10	20	DGCD	
CN1CCN(Cc2cccc(Cl)c2O)Cc2ccccc21	775676305	QDHQNOXZZVIWEP-UHFFFAOYSA-N	302.805	3.498	10	20	DGCD	
CN(C)c1ccc(CNc2ccnc(N3CCCCC3)n2)cc1	779427582	CXGROTYCEJGQFG-UHFFFAOYSA-N	311.433	3.145	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@@H]3Cc4ccccc43)cc2)CC1	877017591	ULEFGQVNXRRHTP-SFHVURJKSA-N	322.452	3.077	10	20	DGCD	
Cc1ccc(CN2CCSC[C@@H]2c2nccs2)c(O)c1	877404350	CIAZEIVQNWKWFX-CYBMUJFWSA-N	306.456	3.447	10	20	DGCD	
C[C@H](NC[C@@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1	883246856	UBVAQEIQVJUHOM-LSDHHAIUSA-N	304.409	3.279	10	20	DGCD	
C[C@@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1c(O)cccc1F	886506203	GWLWJIHJLSOFNY-GHMZBOCLSA-N	320.330	3.066	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccncc1	883290980	OPKFPNCSYMRLOZ-HXUWFJFHSA-N	324.472	3.074	10	20	DGCD	
Cc1noc([C@H]2CCCCN2Cc2cc(F)cc(F)c2O)n1	894756072	FYZLQYFGMYLOSU-CYBMUJFWSA-N	309.316	3.089	10	20	DGCD	
C[C@@H](CCC(C)(C)C)C(=O)OCC(=O)c1ccc(O)c(O)c1	784694283	CXPUWQINADSWLO-NSHDSACASA-N	308.374	3.286	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1scnc1C1CC1	782304467	CDABDBMLIZCWMN-XYOKQWHBSA-N	319.455	3.477	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1cccc2c1OCC2	897206976	UGGZSUYFAWRDDI-UHFFFAOYSA-N	307.752	3.409	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccnn2CC2CC2)cc1F	1328687918	DCOKULKBSYSSRR-UHFFFAOYSA-N	306.360	3.249	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)CCCC3CC3)CC2)cc1	1324318741	BOWKUYIZQBXSBK-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2noc3c2COCC3)cc1	1333029196	KMQPSKZJXRHKEU-UHFFFAOYSA-N	302.374	3.171	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(O[C@H]3CCOC3)cc2)cc1	1330817054	GHQQNWGOTQZOCQ-IBGZPJMESA-N	313.397	3.499	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)C(C)(C)c1ccccc1	1335687280	QERQJZWXAHUJGC-CQSZACIVSA-N	311.429	3.434	10	20	DGCD	
C[C@@H](Nc1nc(Cl)nc2[nH]cnc12)c1ccc(N(C)C)cc1	1343001297	NYCGEFVRHVXYSW-SECBINFHSA-N	316.796	3.245	10	20	DGCD	
Cc1ccc(O)c(CNS(=O)(=O)c2ccc(C3CC3)cc2)c1	1348157386	ROENEGTZMIKSCK-UHFFFAOYSA-N	317.410	3.057	10	20	DGCD	
CCN1CCCc2cc(CN[C@]3(C)CCC[C@@H]3C(=O)O)ccc21	1776876367	JTBBOYHTMAFPJQ-VQIMIIECSA-N	316.445	3.192	10	20	DGCD	
COc1cc(CN(C)CCOCc2ccccc2)c(O)cc1C	160391516	SDAZFPRQVYMWCO-UHFFFAOYSA-N	315.413	3.358	10	20	DGCD	
COc1cc(O)c(CN2CCc3c(F)cccc3C2)cc1OC	160502144	QSSHLALNJKPSOK-UHFFFAOYSA-N	317.360	3.107	10	20	DGCD	
CC(C)OC1CCC(NC(=O)N(C)Cc2ccccc2O)CC1	151956067	CDQHJYGFSLVLTA-UHFFFAOYSA-N	320.433	3.270	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@H](C)O1	708351417	XQCQPQMPBCZSGM-GXFFZTMASA-N	314.223	3.154	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc(N(C)C)cc1	90541856	XVWIDHYURJXJHZ-QILLFSRXSA-N	320.502	3.458	10	20	DGCD	
CCCOc1ccc(CN(C)[C@H]2CCN(CC)C[C@@H]2C)c(O)c1	93639403	JFGBYZKUDBPBRK-YJBOKZPZSA-N	320.477	3.343	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cccc(F)c3F)ccc21	102246861	LFVTWRRIQNYIAT-UHFFFAOYSA-N	316.351	3.277	10	20	DGCD	
CN(C)C(=O)CCCCSc1ncc(-c2ccccc2)n1C	106405076	XKOONRBZFYPZJQ-UHFFFAOYSA-N	317.458	3.438	10	20	DGCD	
Nc1c(Cl)cc(C(=O)NCc2ccccc2O)cc1Cl	161403704	XTXSANDCWQIQAE-UHFFFAOYSA-N	311.168	3.211	10	20	DGCD	
COc1cc(CN2CCC(C)(O)CC2)c(O)c(C(C)(C)C)c1	178900356	MFNFCBUYOSHCSB-UHFFFAOYSA-N	307.434	3.045	10	20	DGCD	
CC(C)c1nc(/C=C/c2ccc3c(c2)CCN3C)ncc1C(=O)O	178900834	BPYHECYIPJRQGX-FNORWQNLSA-N	323.396	3.461	10	20	DGCD	
Cc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c(O)c1O	182541943	SWLVVFNPAQAWHU-UHFFFAOYSA-N	316.332	3.372	10	20	DGCD	
Oc1ccccc1CN(Cc1ccc(F)nc1)C[C@@H]1CCCO1	189281871	KMYWEUQYQQVKKB-INIZCTEOSA-N	316.376	3.108	10	20	DGCD	
CC(C)NC(=O)CCN[C@H](C)c1cc(Cl)c(Cl)cc1O	192649982	QGNVBAZDCJPIIJ-SECBINFHSA-N	319.232	3.264	10	20	DGCD	
COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(O)c1O	193015052	YUXFEZLWPPAHTE-AWEZNQCLSA-N	313.353	3.084	10	20	DGCD	
CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCc1ccccc1O	227440914	QRZMUUVFQMFKII-OAHLLOKOSA-N	320.433	3.271	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1	268949428	VFIMCZSFNPLOGK-UAGQMJEPSA-N	317.477	3.050	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](c2ccsc2)N(C)C)c1	273297302	AKABCRSSKRIWLK-LRDDRELGSA-N	320.458	3.416	10	20	DGCD	
CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1O	276013977	QFNUTGVLLAYGKT-GOSISDBHSA-N	302.462	3.270	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC(C)(C)c2ccccc2)c1O	278939765	XLDOROHSUSJVNW-UHFFFAOYSA-N	316.357	3.334	10	20	DGCD	
CCCOc1ccc(CNCC2C[C@H](C)O[C@@H](C)C2)c(O)c1	282411435	ZCNWNIVPQFDKIZ-KBPBESRZSA-N	307.434	3.474	10	20	DGCD	
Cc1cccc(CCCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)n1	287289633	DDQJAOYDNDMKEX-ZDUSSCGKSA-N	315.373	3.287	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCC2=CCCOC2)cc1	288050151	MOZNCNAMLVLPEW-UHFFFAOYSA-N	310.397	3.171	10	20	DGCD	
COC[C@H](C)OC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	733705992	DEABLRLTULFCCF-ZDUSSCGKSA-N	317.385	3.294	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1O	745876738	UTHIGBHMDPPZMI-UMVBOHGHSA-N	318.417	3.169	10	20	DGCD	
Cc1ccc(-c2nc(C(=O)NCc3ccccc3O)cs2)o1	748346500	YZYXCDDZXHASOF-UHFFFAOYSA-N	314.366	3.347	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccccc1OC(F)F	748437859	APRTYWIRUPHBBT-UHFFFAOYSA-N	308.284	3.315	10	20	DGCD	
C[C@H](N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1	749129645	RZAMYQNJXUJBMZ-LRDDRELGSA-N	308.853	3.398	10	20	DGCD	
CCN(CCN[C@@H](C)c1ccccc1O)CCC(F)(F)F	756049876	LBXRQEMYRHKNQB-LBPRGKRZSA-N	304.356	3.317	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@H](O)c2ccccc2)c2c(O)ccc(F)c21	756355697	VKYNRNFUCVPQQD-XFJVYGCCSA-N	301.361	3.403	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@H](C)S[C@@H](C)C2)c1O	761195882	QIKCJRNHEDFSJU-UWVGGRQHSA-N	301.839	3.380	10	20	DGCD	
COc1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)cc1C	772950895	CYUAPPNFMGVTSC-UHFFFAOYSA-N	306.450	3.034	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@H]2C2CCCCC2)c1O	775049107	SNWNIHATRXKQIL-KBPBESRZSA-N	320.389	3.367	10	20	DGCD	
CC[C@@]1(O)CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	779339930	PVXYBRIGZGQBGF-QGZVFWFLSA-N	318.442	3.143	10	20	DGCD	
C[C@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(O)c(O)c2)C1	779516821	ZJVZLEMHBVUWKR-XOVSCCBYSA-N	309.365	3.336	10	20	DGCD	
CCN(C(=O)c1ccc(C)c(O)c1O)c1ccccc1OC	780917438	IEWWLWRSZNUQTR-UHFFFAOYSA-N	301.342	3.082	10	20	DGCD	
CCOCC1(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1	799622473	MXEZUSRFODPFFQ-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
CC[C@H](NCC(=O)NC1CCCC1)c1cccc(Cl)c1O	806146849	RFDWNDWSCZFLJD-AWEZNQCLSA-N	310.825	3.145	10	20	DGCD	
C[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1cc(F)ccc1O	815631694	NVAWKRXRYQZANF-QMMMGPOBSA-N	307.300	3.334	10	20	DGCD	
CN(CCNCc1cc(Cl)c(F)cc1O)c1ccccc1	816533473	XQWQVTDSCVEKOB-UHFFFAOYSA-N	308.784	3.411	10	20	DGCD	
CC[C@H](NC[C@H]1CCCN1)c1ccc(C(F)(F)F)cc1O	817953814	RSMBPXVOTJZVLA-YPMHNXCESA-N	302.340	3.204	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)[C@]3(C)CCCO3)C2)cc1	818343183	ZBKAGAATRISUCD-MDZRGWNJSA-N	318.461	3.069	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[C@@H](N)C1	818608037	JHGAXWWSMHZYDJ-DLBZAZTESA-N	317.477	3.007	10	20	DGCD	
Oc1c(Br)cccc1CN1CC(CC(F)F)C1	822520531	FEAGYFHLTFTCPF-UHFFFAOYSA-N	306.150	3.242	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCS[C@@H]1C	828541437	IBOJLCDINJTQOZ-OCCSQVGLSA-N	308.447	3.208	10	20	DGCD	
CC(C)(C)C[C@H](NC(=O)Cc1ccc(N)cc1)C(F)(F)F	831529010	ZEDXZTYISUZHDL-LBPRGKRZSA-N	302.340	3.295	10	20	DGCD	
C[C@H]1CCCN(C(C)(C)CN[C@@H]2CCc3cccc(O)c32)C1	834531453	ZMIQSRMYNUBNFZ-GOEBONIOSA-N	302.462	3.480	10	20	DGCD	
Cc1cc(C(=O)O[C@@H]2CCOC[C@@H]2C)c(C)n1-c1ccccn1	835782193	ITRFMEJFZBFISH-BLLLJJGKSA-N	314.385	3.071	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@@H]2CS[C@H](C)C2)c1	840958058	IDCOUISFCWWZPA-KOLCDFICSA-N	316.264	3.447	10	20	DGCD	
CC(C)c1ccc([C@@H](N)CNCc2cccc(F)c2O)cc1	841036780	MKMOKJDKDATFDP-KRWDZBQOSA-N	302.393	3.444	10	20	DGCD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(N)cc2)C1	841788209	DPELOVWKVPZHPZ-WBVHZDCISA-N	303.450	3.325	10	20	DGCD	
Cc1ccc(C[C@H](C)NC(=O)NCCc2ccc(N)cc2)s1	841831565	WKLRHIVEQYJBMT-LBPRGKRZSA-N	317.458	3.112	10	20	DGCD	
CCOc1ccc(CN2C[C@H](C)OC3(CCCC3)C2)c(O)c1	843435918	ZQWYVIHWQJUWJK-AWEZNQCLSA-N	305.418	3.324	10	20	DGCD	
CCc1nc(CN(C)c2ccc(-c3nccs3)cc2)no1	846991328	JKBDVFWVWIZCCE-UHFFFAOYSA-N	300.387	3.392	10	20	DGCD	
Cc1ccc(C(=O)NCC(F)F)cc1-n1c(C)cc(C=O)c1C	859767316	QLFHQCJKSXAQOW-UHFFFAOYSA-N	320.339	3.210	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)c3ccnn3C)c2C)c1	863161420	MXWSVSASBRKQOY-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
CC(C)=CC[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	864528024	JTCYDTOEMFUYMA-LLVKDONJSA-N	301.745	3.084	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)N[C@H]2CCC[C@@H]2O)c1O	866489454	NVVZAMHDIXHAIK-ICCXJUOJSA-N	314.223	3.027	10	20	DGCD	
O=C1C[C@@]2(CCN(Cc3ccccc3O)C2)Oc2ccccc21	877590027	WHGMTVMYCQCOJU-LJQANCHMSA-N	309.365	3.002	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1	882706749	ZGXNAYKRMNYEQW-GDBMZVCRSA-N	321.373	3.138	10	20	DGCD	
CSCC(C)(C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	890876732	MZSVHPDKVCHNDB-UHFFFAOYSA-N	317.458	3.361	10	20	DGCD	
CCc1cnc(CN(C)Cc2ccc(OC)c(OC)c2O)s1	892148618	GYOVLWXYADVDOJ-UHFFFAOYSA-N	322.430	3.060	10	20	DGCD	
COc1cc(C)cc(CNCC(C)(C)N2CCCCC2)c1O	894145884	JMFSSJLALKGHRG-UHFFFAOYSA-N	306.450	3.063	10	20	DGCD	
COc1ccc(CNC2(c3ccccc3C)CC2)c(O)c1OC	895092986	ZUBANJCEKUWOMY-UHFFFAOYSA-N	313.397	3.497	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32	926597588	ZUPXRWKYVHHMCD-KPWCVIRISA-N	314.473	3.005	10	20	DGCD	
O=C(c1cccc2c1CCNC2)N1CCc2cc(Cl)ccc21	1122370074	RHYJYCQOCDCVEU-UHFFFAOYSA-N	312.800	3.189	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCNC(=O)C(C)C	1323828654	CCEXVOFHXGCOSZ-ZIAGYGMSSA-N	304.434	3.001	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21	1323829799	MXEHTCTUKBVMCP-CHWSQXEVSA-N	304.434	3.001	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(o2)CCCC3)c1	1521266967	VLKFRSNDTYEZHI-NSHDSACASA-N	315.369	3.364	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CNc2ccccc21)c1ccc(N(C)C)cc1	1576189791	VCILKPYTXFKCIR-GUYCJALGSA-N	309.413	3.139	10	20	DGCD	
Cc1ccc(/C=C\C(=O)N(CCC(=O)O)c2ccccc2C)cn1	1607768013	FMCUIVJYJZBMOO-KTKRTIGZSA-N	324.380	3.220	10	20	DGCD	
COc1cccc(CNC[C@]2(N(C)C)CCC[C@H](C)C2)c1O	58066194	SAKNMWJWPDWXBE-KSSFIOAISA-N	306.450	3.001	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C)cc1	93614951	QVTYQFQNWDBXFM-MJGOQNOKSA-N	301.478	3.201	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccccc2SC)c1	114565635	OWCJYIOCRPEXKB-UHFFFAOYSA-N	318.398	3.444	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2ccccc2C)cc1F	121799438	UMIRLKYNPPYKSA-UHFFFAOYSA-N	302.349	3.218	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@@H](CCO)c2ccccc2)cc1F	126885422	GIWALDPTQJMAKO-SFHVURJKSA-N	316.420	3.447	10	20	DGCD	
CCc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)o1	130815085	RKCMVFAIDVUBHH-UHFFFAOYSA-N	318.392	3.108	10	20	DGCD	
CCOc1cccc(CN[C@H]2CCOC3(CCCC3)C2)c1O	136681850	PYXJZJOJPGAGBU-HNNXBMFYSA-N	305.418	3.372	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ncn1	161331695	IPOANYKGNHVWHT-UHFFFAOYSA-N	324.428	3.048	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C[C@@H]3CC[C@H](C)C3)CC2)cc1	164248646	OCVOKZANSQNNET-JKSUJKDBSA-N	316.445	3.170	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1	175529132	AIOXMBSMLLRUGN-QAPCUYQASA-N	318.461	3.497	10	20	DGCD	
COc1csc(C(=O)NCc2ccc3c(c2)CCCN3C)c1	176684078	MVDLMQKZQXUVQV-UHFFFAOYSA-N	316.426	3.069	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cc(F)ccc2[N+](=O)[O-])c1	182367042	KBLSPPFRQJDWRQ-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
C[C@H](NCCC(=O)Nc1ccccc1)c1ccc(F)cc1O	185443404	RPAGTPKFFQKRAK-LBPRGKRZSA-N	302.349	3.211	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1O	191193858	TXGCWQURTGLOLX-YMTOWFKASA-N	311.303	3.194	10	20	DGCD	
O=C(Nc1ccc(CC(F)(F)F)cc1)c1cccc(O)c1O	193088991	YWTWEQCWNBCYMC-UHFFFAOYSA-N	311.259	3.455	10	20	DGCD	
Oc1ccc(Br)cc1CNCC1CCSCC1	226651183	BNZSIVGMGQLROG-UHFFFAOYSA-N	316.264	3.388	10	20	DGCD	
C[C@@H](OCCCNC(=O)Cc1ccc(N)cc1)c1ccccc1	237414377	CQLODVCNFFGQMU-OAHLLOKOSA-N	312.413	3.095	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1	237915341	KGMGBBBQOULDPG-HNNXBMFYSA-N	316.401	3.304	10	20	DGCD	
C[C@@H](C(=O)O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1	277245779	JNYMAIGDQKYOEM-RDTXWAMCSA-N	312.413	3.304	10	20	DGCD	
Cc1ccnc(-c2n[nH]c([C@H](C)NCc3cc(C)ccc3O)n2)c1	278827895	URVDIGVQKCSCFP-ZDUSSCGKSA-N	323.400	3.040	10	20	DGCD	
CC[C@@H](NC[C@](C)(O)C(F)(F)F)c1cccc(Cl)c1O	287755858	QOMACJDKSGVESW-PWSUYJOCSA-N	311.731	3.400	10	20	DGCD	
CN(C)c1ccc(CN(CCc2cscn2)C2CC2)cc1	294782360	APRBJWVPGBRBOG-UHFFFAOYSA-N	301.459	3.416	10	20	DGCD	
C[C@H]1Cc2ccccc2N(C(=O)c2cccc3c2CCNC3)C1	391411130	OXSGIJWEAYNWBC-AWEZNQCLSA-N	306.409	3.171	10	20	DGCD	
CC(C)(C)OCCCNCc1c(O)cccc1Br	706854291	YZLNTSHUZVXCNG-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
Oc1cccc(Br)c1CNCC[C@@H]1CCCCO1	706868378	LHWOWRXRZFIQBC-NSHDSACASA-N	314.223	3.204	10	20	DGCD	
CCN(CC)c1ccc(CNCCN2CCC[C@H](C)C2)cc1	727644167	ZAFTXXCDFUSRHD-KRWDZBQOSA-N	303.494	3.354	10	20	DGCD	
COC[C@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	733705399	WPBFKVDYNADISI-LBPRGKRZSA-N	305.349	3.425	10	20	DGCD	
COC[C@H]1CCCN1Cc1c(O)ccc2ccc(OC)cc12	751945628	ALKJDXKTOOCDIX-CQSZACIVSA-N	301.386	3.165	10	20	DGCD	
COC[C@@H](N[C@H](C)c1cc(Br)ccc1O)C(C)C	756596923	ILYJRTJVICHDGC-ZWNOBZJWSA-N	316.239	3.476	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)c(O)c1	756762902	SUGFQHGOPRNYFL-RHSMWYFYSA-N	316.445	3.285	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1SCCS1	761147374	ZWCCTUYZZNAXKC-UHFFFAOYSA-N	324.515	3.296	10	20	DGCD	
C[C@@H](NC[C@H](O)c1ccc(F)cc1F)c1ccc(N(C)C)cc1	764770798	OKLBNEWGKKQGAO-XIKOKIGWSA-N	320.383	3.415	10	20	DGCD	
Oc1cc2c(cc1CN1CCCc3cccc(F)c31)OCO2	766343048	XUAWFDWIZDOAIH-UHFFFAOYSA-N	301.317	3.213	10	20	DGCD	
Cc1csc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	775425907	JGGBHNXPLBQDQC-LLVKDONJSA-N	304.419	3.400	10	20	DGCD	
CC[C@@H](NCCSCCCO)c1cc(Cl)ccc1O	775501287	FUUZIJACTSMLAP-CYBMUJFWSA-N	303.855	3.202	10	20	DGCD	
NC(=O)N1CCc2ccc(NCc3cc(Cl)ccc3O)cc21	785572603	QEPFMHKFUJWEQD-UHFFFAOYSA-N	317.776	3.099	10	20	DGCD	
C[C@@H](NCCN1CCCC1)c1cccc(C(F)(F)F)c1O	788506556	VYKLOIAZFUJDCU-LLVKDONJSA-N	302.340	3.157	10	20	DGCD	
CC[C@@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O	796791792	CNCOKMSXDRZETD-CQSZACIVSA-N	324.396	3.191	10	20	DGCD	
COc1cc(Br)cc(CN2CCC=C(C)C2)c1O	798090454	MBCAZIZCBNIOSP-UHFFFAOYSA-N	312.207	3.315	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCOC(C)(C)C)c1	802782594	YPHRJXCZHHMCAI-GFCCVEGCSA-N	309.406	3.173	10	20	DGCD	
CN(Cc1cnn(C)n1)c1ccc(OCc2ccccc2)cc1	809984843	ACHXLYDWIBFPEQ-UHFFFAOYSA-N	308.385	3.031	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CCC[C@H]1[C@H]1CCCCN1)CCO2	817902545	TWERPXGPEIBYOY-RCCFBDPRSA-N	300.446	3.022	10	20	DGCD	
CC[C@@H](N[C@@H]1CCCNC1)c1ccc(Cl)c(Cl)c1O	817940842	LGBILDZLUCIXJL-BXKDBHETSA-N	303.233	3.492	10	20	DGCD	
CC[C@@H](N[C@@H]1CCNC2(CCC2)C1)c1ccc(N(C)C)cc1	817987218	YHZSZBASKUJOGD-SJLPKXTDSA-N	301.478	3.468	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1ccnn1CC1CC1	824484682	QJTBAYINGCQMER-UHFFFAOYSA-N	312.461	3.381	10	20	DGCD	
CCc1nocc1C(=O)NCc1ccc(N(CC)CC)c(F)c1	826941894	MATIDAGXVMPWEK-UHFFFAOYSA-N	319.380	3.152	10	20	DGCD	
Cc1cc(CN2CCCC[C@H]2CO)ccc1N1CCCCC1	827411222	MYGQADDFRYRTKA-SFHVURJKSA-N	302.462	3.332	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1nccn1C	840894450	RNZAYKYOJDFWHE-HUUCEWRRSA-N	300.450	3.076	10	20	DGCD	
CC(C)(CO)[C@H](NC(=O)Nc1ccc(N)cc1)c1cccs1	841298331	AJIOVTMOKFJUTA-CQSZACIVSA-N	319.430	3.212	10	20	DGCD	
CCC[C@@H](CCCCNCc1ccc2c(c1)CCO2)C(=O)O	841816425	UNAIRAUFFVESFE-HNNXBMFYSA-N	305.418	3.382	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCC2(CCNC2)CC1	843126773	NCYANDFXLRLVGC-UHFFFAOYSA-N	315.244	3.275	10	20	DGCD	
Cc1cc(Br)cc(CN2C[C@@H]3[C@H](C2)C3(F)F)c1O	846111292	LDFVTGDJBIXGOB-PHIMTYICSA-N	318.161	3.160	10	20	DGCD	
CC[C@](C)(CCO)NCc1cc(OC)cc(C(C)(C)C)c1O	850190830	MHYRNYLEIIGFEH-GOSISDBHSA-N	309.450	3.339	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Cn3cc(C)nn3)c2C)c1	853718854	FPHFPRDBBHQDRX-UHFFFAOYSA-N	308.385	3.185	10	20	DGCD	
C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H](C2CC2)O1	862352111	ZFGVUZYHTNJTKQ-PIGZYNQJSA-N	310.388	3.030	10	20	DGCD	
CN=[S@@](C)(=O)c1cccc(NCc2cccc(C)c2O)c1	864014233	NEQYAVXQJBSPHZ-NRFANRHFSA-N	304.415	3.399	10	20	DGCD	
Cc1ccc(CNC[C@@H]2CCN(CCc3ccccc3)C2)c(O)c1	877007438	PYKDXDGWVBEWPU-IBGZPJMESA-N	324.468	3.355	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](C)c2cnc(C)s2)c1O	879251154	GAYWTGCOFZHLMH-MRVPVSSYSA-N	308.378	3.350	10	20	DGCD	
COCC[C@H](NCc1cc(F)cc(F)c1O)c1ccc(C)o1	883083925	CCCFYFDBGFDHBG-AWEZNQCLSA-N	311.328	3.439	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1O	894541328	BUQUVTFBEVVWCH-NSHDSACASA-N	319.405	3.241	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCCCC2(F)F)c(O)c1OC	894664396	UTMNIPFUJSJSOM-LBPRGKRZSA-N	315.360	3.325	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2Cc3ccccc3[C@H]2N)c2c(O)ccc(F)c21	902437013	GHLKTPQPWANSFV-NYGAIPDWSA-N	312.388	3.294	10	20	DGCD	
C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cncs1	903448420	PBCDBRIQPWCAFZ-CZUORRHYSA-N	318.490	3.163	10	20	DGCD	
Cc1cc(C)cc(C(=O)Nc2cccc(N3CCOCC3)c2)c1	918374283	AFGIRSGEFGYWLV-UHFFFAOYSA-N	310.397	3.392	10	20	DGCD	
C[C@@H](NCCO[C@H]1CCOC1)c1ccc2ccccc2c1O	927081675	VFOHQYWAJZINKO-HIFRSBDPSA-N	301.386	3.002	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCC[C@@H]2NC(=O)C(C)C)cc1C	1036950369	UFVIHFCWWAGBRQ-IRXDYDNUSA-N	318.461	3.034	10	20	DGCD	
CC(C)(C)CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089804728	SASQHVLFQDQDLG-UHFFFAOYSA-N	319.424	3.300	10	20	DGCD	
COc1ccc(CNC(=O)C(F)(F)c2ccccc2C)c(O)c1	1321100729	NXTGSHSRKZFQII-UHFFFAOYSA-N	321.323	3.117	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2nc(C3CC3)no2)cc1	1321578427	CJWACSQBTGQVIJ-UHFFFAOYSA-N	314.433	3.425	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCc1nnc(C2CC2)s1	1326050651	JMILUXQKBLLOJP-UHFFFAOYSA-N	314.458	3.306	10	20	DGCD	
CC(C)c1noc(CCN[C@H](C)c2ccc(Cl)cc2O)n1	1328713884	OFSBZJKZTUJFQS-SNVBAGLBSA-N	309.797	3.445	10	20	DGCD	
Cc1cc(C(=O)NCCCc2ccco2)c(C)n1-c1ccccn1	1334575198	BFYPRIPSHGWYIA-UHFFFAOYSA-N	323.396	3.445	10	20	DGCD	
CC(C)(C)C[C@H](NC(=O)NCc1ccc(N)cc1)C(F)(F)F	1335737191	LVTJMKAVLAEAJL-LBPRGKRZSA-N	317.355	3.435	10	20	DGCD	
CN(Cc1cccc2c1CCC2)c1ccc(OCC(=O)O)cc1	1606166700	COWHUJQNEQNENT-UHFFFAOYSA-N	311.381	3.275	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1csc(C2CC2)n1	63277337	KGQWQCALONOLKQ-XYOKQWHBSA-N	319.455	3.477	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2nccs2)cc1F	66906817	QSXMEKGZSATKNC-UHFFFAOYSA-N	322.409	3.450	10	20	DGCD	
Cc1ncsc1CNCc1cccc(Br)c1O	71213079	GQIOUJRHDYKTOU-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C2(c3ccccc3C)CC2)c1	114541831	ICDUNLGCIRXFKG-UHFFFAOYSA-N	311.381	3.057	10	20	DGCD	
O=C(CCC1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1	117974861	DBUPJCAGPRXQHX-MRXNPFEDSA-N	303.402	3.090	10	20	DGCD	
Cc1ccnc(N2CCN(Cc3c(O)cccc3Cl)CC2)c1	120909171	FWCCUCINFVZFPC-UHFFFAOYSA-N	317.820	3.071	10	20	DGCD	
CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3)c2)CC1	122264559	QALNASJPXJUINW-UHFFFAOYSA-N	323.440	3.469	10	20	DGCD	
CCc1ccc([C@H](C)C(=O)NCCc2ccc(O)c(O)c2)cc1	122628087	NOJAFGJCWKCHGX-ZDUSSCGKSA-N	313.397	3.123	10	20	DGCD	
CN(Cc1cc(Cl)cc(Cl)c1O)Cc1nccn1C	134102809	SKYSZUQZGKDSKN-UHFFFAOYSA-N	300.189	3.065	10	20	DGCD	
CCCCSCCC(=O)NCc1ccc(N(C)C)c(F)c1	151038358	WMJSAWLHWPIFLS-UHFFFAOYSA-N	312.454	3.431	10	20	DGCD	
CC[C@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(N)cc1	152562500	JOZRJQLZVWSSAH-SFHVURJKSA-N	312.413	3.094	10	20	DGCD	
CCC(CC)[C@@H](O)CNC1CCN(c2ccc(OC)cc2)CC1	162217738	FNOBRIIMNFODNP-IBGZPJMESA-N	320.477	3.051	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C1CCN(C(C)C)CC1	177137085	QFKXLOACKANUFZ-UHFFFAOYSA-N	318.461	3.251	10	20	DGCD	
CC(C)CCCNC(=O)NCCCSc1nccs1	177757725	FEPOHPUCXVXIEP-UHFFFAOYSA-N	301.481	3.361	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)nc1)c1ccc2c(c1)OCO2	180759735	MKCHIBWODBQKAO-UHFFFAOYSA-N	311.385	3.047	10	20	DGCD	
CCS[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	180843721	NKLLVTWWYUKHRX-LUIPGBGBSA-N	321.442	3.292	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1C)c1ccc(Cl)c(Cl)c1O	185142646	IEGQAVQZGAAXPF-NXEZZACHSA-N	303.233	3.444	10	20	DGCD	
CCCNC(=O)CCN[C@@H](C)c1ccc2ccccc2c1O	194559437	MEWIYJHATMOZKR-ZDUSSCGKSA-N	300.402	3.112	10	20	DGCD	
CC[C@H]1CCCCN1CCN[C@H](C)c1cc(OC)ccc1O	248482316	BZZKCVXWYFOUIL-CABCVRRESA-N	306.450	3.316	10	20	DGCD	
Cc1cc(O)c(CN2CCN(C)C[C@H]2c2ccccc2)cc1C	251081321	UMCKNEGCURXBMK-IBGZPJMESA-N	310.441	3.498	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]2CC[C@H]1O2	265083334	NNEIFUIVXQVVLB-FGTMMUONSA-N	316.445	3.057	10	20	DGCD	
C[C@](O)(CNCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	270478139	IXLABJLYTCXTNO-JTQLQIEISA-N	318.122	3.102	10	20	DGCD	
C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1cc(F)ccc1O	273447761	FKQFEWSWFPLVEN-LLVKDONJSA-N	323.389	3.249	10	20	DGCD	
CCOCCC1(CN[C@H](C)c2cc(C(=O)OC)ccc2O)CC1	273485589	NHFCHKWFYMXGLM-CYBMUJFWSA-N	321.417	3.036	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1	278403383	OPBBWOZGMKOOCK-GWCFXTLKSA-N	323.742	3.181	10	20	DGCD	
CCOC1CC2(CCN(Cc3cc(F)cc(C(C)=O)c3O)C2)C1	285462101	JTUANVLYTJDXQV-UHFFFAOYSA-N	321.392	3.125	10	20	DGCD	
C[C@H](N[C@H](C)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	287360790	OAEGRMVDMICFRB-WDEREUQCSA-N	320.330	3.264	10	20	DGCD	
Cc1c(N[C@H]2CCc3cccc(O)c32)cnn1C1CCOCC1	297188509	FGINZEQHJMNCBN-HNNXBMFYSA-N	313.401	3.348	10	20	DGCD	
CC(C)c1ccc(OCCC(=O)NCc2ccc(N)cc2)cc1	297208996	NGSYCCOTOOGVGW-UHFFFAOYSA-N	312.413	3.478	10	20	DGCD	
C[C@@H](N[C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(F)cc1O	316334603	CEVZFRPJCBYEIY-WBMJQRKESA-N	305.397	3.493	10	20	DGCD	
Cc1ccc(O)c(CNc2cccc(-c3nnc(C)n3C)c2)c1	370850181	OHWONNPJJAHCLO-UHFFFAOYSA-N	308.385	3.417	10	20	DGCD	
CC[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(C)cc1O	377580354	BPLNGMKORGTFRJ-BXWFABGCSA-N	313.397	3.236	10	20	DGCD	
CCn1c(NC(=O)/C=C\c2ccc(O)c(O)c2)nc2ccccc21	588405410	LOWJLFCTNCZEMT-NTMALXAHSA-N	323.352	3.119	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](N3CCCC3)C2)cc1C(C)C	727170236	UZXMADWBCFMBPO-KRWDZBQOSA-N	302.462	3.494	10	20	DGCD	
CCOc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1	728984378	PAAZUVZDAFXXLU-LBPRGKRZSA-N	315.369	3.291	10	20	DGCD	
COc1ccc(CC[C@@H](C)NC(=O)c2cc(O)cs2)cc1	731871127	DPZKYMZUOHAHLI-LLVKDONJSA-N	305.399	3.213	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H](C)c2ccccc2)c1	734065362	VRLMDLSKUWVIJY-CYBMUJFWSA-N	314.385	3.004	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C[C@@H]1OCCc2ccccc21	734636869	CDRMNDFCKVLQFB-FQEVSTJZSA-N	310.441	3.498	10	20	DGCD	
CCOc1ccc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c(O)c1	742376742	FJLRSSBCZRIORU-UAGQMJEPSA-N	305.418	3.084	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@]2(C)c2ccccc2)cc1	743642506	SOIUZORFOIMANP-AZUAARDMSA-N	323.440	3.282	10	20	DGCD	
CCN(CC(=O)Nc1ccc(OC)cc1)c1ccc(OC)cc1	746109796	WLHQPEUCTFVWLS-UHFFFAOYSA-N	314.385	3.169	10	20	DGCD	
CC[C@@H](C)[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	746724442	GCFKIYHHWUAOGV-ZIAGYGMSSA-N	303.450	3.303	10	20	DGCD	
C[C@@H]1C[C@H]1CN[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	754119895	FAJUYNPOXRDSOP-DVOMOZLQSA-N	308.853	3.256	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1cc([N+](=O)[O-])ccc1O	756517147	WBYRNNFQJHRIIO-NSHDSACASA-N	314.341	3.086	10	20	DGCD	
O=C(OCc1cnn(Cc2ccccc2)c1)c1cc(O)cs1	757713280	YBKGSNSXCZOXDV-UHFFFAOYSA-N	314.366	3.056	10	20	DGCD	
C[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N(C)C)c(F)c1	766658397	ZYDNSSXHVDAAFE-SECBINFHSA-N	321.318	3.032	10	20	DGCD	
CC[C@@H](C)[C@H](NC(=O)c1ccc(C)c(O)c1O)C(F)(F)F	769080279	AEKSQKCPFYJEKF-KRTXAFLBSA-N	305.296	3.113	10	20	DGCD	
CCOc1cc(NCc2ccc(N3CCCCC3)cc2)ncn1	772010745	WWEDOFDFIPXSPG-UHFFFAOYSA-N	312.417	3.478	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1	773017640	HYNBYIFNPYZVEU-IFXJQAMLSA-N	324.424	3.244	10	20	DGCD	
C[C@H](NC(=O)N1CCS[C@H](C)[C@H]1C)c1ccc(N(C)C)cc1	773614955	VHKKQDSWSOYRPP-BFHYXJOUSA-N	321.490	3.349	10	20	DGCD	
CO[C@]1(C)C[C@@H](NCc2cc(Cl)cc(F)c2O)C1(C)C	776220060	JTZKJLUIMBELTR-IUODEOHRSA-N	301.789	3.478	10	20	DGCD	
COc1cccc(CNc2cncc(-c3ccccc3)n2)c1O	776804519	CDNHIKOGNJLNLG-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)C1CCSCC1	779014157	WAXNADMQUBUEAT-HNNXBMFYSA-N	320.502	3.145	10	20	DGCD	
C[C@H]1CC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1	780360686	ZWOTWMDSKQATKA-BBRMVZONSA-N	301.434	3.057	10	20	DGCD	
CCOCc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1	789973583	IZJGYDUOHBAUHA-UHFFFAOYSA-N	305.305	3.026	10	20	DGCD	
COc1ccc(CNC(=O)c2cccc(C(F)F)c2)c(O)c1	794379067	JCNLSGMWJYKYIS-UHFFFAOYSA-N	307.296	3.268	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(-c3ccccc3)[nH]2)c(O)c1	794380392	BJGJLQADCZSRKI-UHFFFAOYSA-N	322.364	3.326	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(N2CCOCC2)cc1	800968134	GIEFTOGEIWLNRF-IAAVTCLWSA-N	300.446	3.362	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](COC)C(C)C	802190711	BBBVHNPOHNRMNI-MRXNPFEDSA-N	322.449	3.375	10	20	DGCD	
CCOc1ccc(CN2CCCCC[C@@H]2C[C@@H](C)O)c(O)c1	809700705	MWNAIOJHIWETMY-GDBMZVCRSA-N	307.434	3.306	10	20	DGCD	
O=C1OCc2c(NCc3cc(Cl)cc(F)c3O)cccc21	809791128	VAMXJSYCURZZCA-UHFFFAOYSA-N	307.708	3.467	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H](n3cccn3)C2)c1	812294404	MBIQBQJFVIZVJY-OAHLLOKOSA-N	315.417	3.039	10	20	DGCD	
CNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2O)c1C	816522206	OPLLVRPOIGZLLN-UHFFFAOYSA-N	322.767	3.465	10	20	DGCD	
OCCOCc1ccc(NCc2cc(Cl)ccc2O)cc1	818234337	XPDOONSFKVWEFM-UHFFFAOYSA-N	307.777	3.167	10	20	DGCD	
CO[C@@H](CNC(=O)N(C)Cc1ccccc1O)C1CCCCC1	823678377	IKRGBBGRKSHTKF-KRWDZBQOSA-N	320.433	3.129	10	20	DGCD	
CCCc1nc(C)c(CSc2ncc(C(=O)OC)s2)o1	829677548	CJOVNTCOPMLNBM-UHFFFAOYSA-N	312.416	3.471	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)c1n[nH]c(C(C)C)n1	840936306	JADADXQPZVDUDA-CYBMUJFWSA-N	301.438	3.153	10	20	DGCD	
COc1ccc(N(C)CCOCc2ccccc2)cc1OC	846752777	ADHZUMDVMSIWSW-UHFFFAOYSA-N	301.386	3.357	10	20	DGCD	
C[C@H](N[C@@H]1CCCN2CCCC[C@H]12)c1cc(F)cc(F)c1O	848568306	FFVQIIGRHYWGQT-IUIKQTSFSA-N	310.388	3.338	10	20	DGCD	
CCc1cccc(CNCc2ccc(C3OCCO3)cc2)c1O	848895591	OBXGJSVKJQBRGX-UHFFFAOYSA-N	313.397	3.290	10	20	DGCD	
COc1cc(CNC[C@@]2(C)CCCO2)c(O)c(C(C)(C)C)c1	850182520	IFYPBYNYBDSDGV-GOSISDBHSA-N	307.434	3.357	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CCc4ccccc43)cc2)CC1	850567316	ZHWFAZKVTIOLRU-NRFANRHFSA-N	322.452	3.425	10	20	DGCD	
COc1ccc(N(C)Cc2cc([N+](=O)[O-])ccc2OC)cc1	864031930	WPPYFDARJHPINR-UHFFFAOYSA-N	302.330	3.248	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@H](O)C(F)(F)F	865712211	YADMNMJLJUHEQE-DOMZBBRYSA-N	316.367	3.078	10	20	DGCD	
C[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C	876657802	RRKYMOUGSWJMOR-HZPDHXFCSA-N	302.462	3.268	10	20	DGCD	
Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c(O)c1	876809186	XEOYFNXIRGUXIR-WBVHZDCISA-N	301.386	3.382	10	20	DGCD	
COCC[C@@H](NCc1cc(F)cc(F)c1O)c1ccc(C)o1	883083926	CCCFYFDBGFDHBG-CQSZACIVSA-N	311.328	3.439	10	20	DGCD	
O=C(NCC[C@H]1CNc2ccccc21)N1Cc2cccc(O)c2C1	892361991	GGSDQIXAJJEIKF-ZDUSSCGKSA-N	323.396	3.017	10	20	DGCD	
C[C@H](Cc1cccnc1)NCc1ccc(Br)cc1O	897967253	MAHTWOYGVHUKND-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(CCO)cc2)cc1	898172639	SSVZOGYKWMIJBK-UHFFFAOYSA-N	312.457	3.357	10	20	DGCD	
Cn1cnc(/C=C/C(=O)N2CC3(CCC3)c3c(F)cccc32)c1	931526608	AGOLDEWQKYYOPZ-VOTSOKGWSA-N	311.360	3.041	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H](F)C1	1118127693	MSYGHUBNTNAHBZ-HUUCEWRRSA-N	307.413	3.175	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@H]2CC[C@@H](C)C2)cc1C	1132538875	RPASYBFCRKKZAM-ZBFHGGJFSA-N	318.461	3.036	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](F)C2)c1	1328144023	YOWXWVHFWQWICV-QJPTWQEYSA-N	310.369	3.042	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1	1336866812	NTBHDYJARUYTTO-CZIWCDLHSA-N	313.376	3.153	10	20	DGCD	
CC[C@@H](C)C[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1339509744	MSSAJYJAAOAFCR-CVEARBPZSA-N	321.484	3.492	10	20	DGCD	
C[C@@](CNCc1cc(Cl)ccc1O)(C(=O)O)c1ccccc1	1592710869	YFFYIQUFZVZSTP-KRWDZBQOSA-N	319.788	3.178	10	20	DGCD	
COc1ccc(CNCCCN(C)C(=O)[C@H](C)C(C)C)cc1C	1754401091	QCXVUOGHTNMHTA-MRXNPFEDSA-N	320.477	3.234	10	20	DGCD	
C[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(N2CCOCC2)cc1	119240276	NUOSLGJDEUJCDL-DOTOQJQBSA-N	318.461	3.131	10	20	DGCD	
C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	57646712	IBLPDEJGOPRDCY-STQMWFEESA-N	307.413	3.079	10	20	DGCD	
CCc1c(C(=O)N(C)Cc2ccccc2O)[nH]c(C)c1C(C)=O	53916577	OLCQYZMWRNUVFQ-UHFFFAOYSA-N	314.385	3.066	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3c(F)cccc3F)ccc21	58768566	MZOGIXVYENRUCN-UHFFFAOYSA-N	316.351	3.277	10	20	DGCD	
CCN(Cc1c(O)cccc1Br)C[C@@H]1CCOC1	862224486	XTVBQYPTQOTJBJ-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
C[C@H]1[C@H](C)CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1	73915409	WXEVLDLZPVIOLR-OLZOCXBDSA-N	307.413	3.222	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@@H](C)OC)cc1F	183463743	NFQSRXVRICWOOD-CYBMUJFWSA-N	310.413	3.103	10	20	DGCD	
NCc1ccc2c(c1)CCCN2C[C@@H]1CCC2(CCCC2)O1	318597612	ZGHCSYLTKFSAAK-KRWDZBQOSA-N	300.446	3.390	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@@H](O)c1ccccc1F	75829152	SWNGDNBYOJXVDO-GOSISDBHSA-N	303.377	3.477	10	20	DGCD	
COc1cccc2[nH]cc(CC(=O)N(C)Cc3ccccc3O)c12	182406997	YLTRIWCQHMFNNT-UHFFFAOYSA-N	324.380	3.083	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC2(CC2)C1	185589412	XDNYTXGXUBFVAE-UHFFFAOYSA-N	313.445	3.372	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC[C@@H](O)C1	191364557	WSVYLBAXSLGRHS-UONOGXRCSA-N	318.442	3.046	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2ccncc2)c1O	91986310	CGOOIBJKSMOGRB-NSHDSACASA-N	302.349	3.322	10	20	DGCD	
C[C@H](NCc1nccn1C)c1ccc(N2CCCCC2)c(F)c1	268953391	YEXFULPHUMXESH-AWEZNQCLSA-N	316.424	3.400	10	20	DGCD	
CCOC[C@H]1CN(Cc2cc(C(C)C)c(C)cc2O)CCO1	530107563	ROXLDFWGACFUTJ-MRXNPFEDSA-N	307.434	3.061	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(n3cc(Cl)cn3)CC2)c1	367999344	JJIFTLUVSQNJCH-UHFFFAOYSA-N	305.809	3.388	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)N[C@H](CO)C(C)C)c1O	275368112	UZQXQBGZTLBYDF-ZWNOBZJWSA-N	316.239	3.131	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H]3CCO[C@H](C)C3)CC2)cc1	360059570	PQSWRTAUFULZML-CVEARBPZSA-N	318.461	3.069	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c1	273356815	CTFPLRJFLDQCNE-GFCCVEGCSA-N	311.385	3.064	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1oc(C)nc1C	282478830	LLSHDOOXBYFYCK-UHFFFAOYSA-N	302.374	3.440	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnc([C@H](C)O)s2)cc1	289297617	QKGHAPQNYAYBHE-ZDUSSCGKSA-N	319.474	3.332	10	20	DGCD	
COc1ccc([C@H](CN(C)C)NCc2cccc(C)c2O)cc1	285112293	NMMNAZPASUZRTR-SFHVURJKSA-N	314.429	3.102	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2coc(C)n2)cc1	801599804	DBRKQDOWQCVTGK-UHFFFAOYSA-N	301.390	3.101	10	20	DGCD	
Oc1c(CN2CCC(O)(C(F)F)CC2)ccc2ccccc12	816574219	APCCAMJETSNCNU-UHFFFAOYSA-N	307.340	3.137	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@H](CN)C1)c1ccc(Cl)c(Cl)c1O	817982234	PRISUSHKAPYJHC-LPEHRKFASA-N	303.233	3.477	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H](CCO)CC2)c1O	817418646	AQGAEDGLVCKFIY-LBPRGKRZSA-N	313.825	3.039	10	20	DGCD	
COc1ccc(N2CCC(Nc3ncnc4[nH]ccc34)CC2)cc1	726968503	VQYSREVQMNMTHC-UHFFFAOYSA-N	323.400	3.047	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@@H]1c1ccccc1	827720949	XOQCWTJYFRHRCI-IAGOWNOFSA-N	311.381	3.298	10	20	DGCD	
CC(C)N1CC[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)C1	825337238	FESDDSAJZKQMAB-LLVKDONJSA-N	300.805	3.099	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H](c2nncn2C)C(C)C)c(O)c1C	903066258	UKXRECYOGSGZJX-DZGCQCFKSA-N	302.422	3.185	10	20	DGCD	
COc1ccc(N(CC2CC2)C(=O)/C=C(/C)c2cnccn2)cc1	836840170	IFBGSDSWPFECQH-KAMYIIQDSA-N	323.396	3.332	10	20	DGCD	
CCN1CCC[C@H](N[C@H](C)c2cc(Cl)cc(C)c2O)C1=O	903389781	XFUPDQGOGNNIQX-RISCZKNCSA-N	310.825	3.016	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)CCC2CCCCC2)cc1	832292109	AAJSYXGYGZDHOE-GOSISDBHSA-N	317.477	3.229	10	20	DGCD	
CCCCCC[C@@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832274423	SZFJHDYMBHZLEX-CRAIPNDOSA-N	319.493	3.475	10	20	DGCD	
CCCN(CC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1	746137998	UITUTBAMIHLIJY-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2ccc(F)cc2)cc1	844852131	LNYDDJVDEYUOND-UHFFFAOYSA-N	316.376	3.043	10	20	DGCD	
Nc1ccc(NC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1	911659847	FQHBLCHJZGJCCJ-NWDGAFQWSA-N	302.296	3.097	10	20	DGCD	
CCc1nc(C)c(C(=O)NCc2cc(Cl)ccc2O)s1	846473194	QYEOXCNSOOBVIU-UHFFFAOYSA-N	310.806	3.303	10	20	DGCD	
COC[C@H](C)N[C@@H](C)c1cc(Br)cc(Cl)c1O	756343409	YTFOSITWSBKGNJ-YUMQZZPRSA-N	322.630	3.494	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H](OC(C)C)C2(C)C)c1	858363379	IRDOIHCNGXJQQV-CVEARBPZSA-N	320.433	3.092	10	20	DGCD	
C/C(=C\C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1	920881629	JBLAZTJAUYJEPY-BUYIWHAFSA-N	314.429	3.057	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@H](CO)Cc2ccco2)c2c(O)ccc(F)c21	756659292	CQHLPTKZDZUUQW-LALPHHSUSA-N	319.376	3.113	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(F)c(Cl)c2)cc1	767814197	GXACNWNCZJEJQV-UHFFFAOYSA-N	306.768	3.475	10	20	DGCD	
CC[C@H](N[C@@H]1CCN2CCCC[C@@H]12)c1ccc(N(C)C)cc1	764967363	UFAAJAPZCXMRRW-OTWHNJEPSA-N	301.478	3.420	10	20	DGCD	
CCC(O)(CC)CN(C)Cc1cc(Cl)cc(OC)c1O	862538577	AXRWBQIOPUBZFP-UHFFFAOYSA-N	301.814	3.037	10	20	DGCD	
CCOC(C)(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	865603283	DEOSQFVCAZDOOM-UHFFFAOYSA-N	318.461	3.354	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cnc(C(C)C)[nH]2)cc1	1116124237	AIBBUZWFLLOQPA-UHFFFAOYSA-N	314.433	3.309	10	20	DGCD	
C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(N2CCCC2)cc1	1116719507	HWYDGLSPXFCNAJ-GJYPPUQNSA-N	302.462	3.268	10	20	DGCD	
CCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCCC1	774820524	CHRKMDGLQDZVOM-UHFFFAOYSA-N	308.378	3.464	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)Cc2ccsc2)c1O	774976604	HWIFPKDBUUYJNJ-SNVBAGLBSA-N	322.386	3.091	10	20	DGCD	
CC(C)n1cc(NCc2ccc(N3CCC(O)CC3)cc2)cn1	877148045	FDQUXGPOMIECNL-UHFFFAOYSA-N	314.433	3.037	10	20	DGCD	
CCOC(=O)[C@H]1CCCCN1Cc1ccc(N(C)CC)cc1	773732843	UEYFFPZSJZGFPM-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
C[C@H](NC(=O)[C@H]1COc2ccccc21)c1ccc(N(C)C)cc1	773015008	MXQYWGGQNLKQLO-GUYCJALGSA-N	310.397	3.106	10	20	DGCD	
COc1c(Cl)cccc1NC(=O)/C=C\c1ccc(O)c(O)c1	779500178	PZAQEEUZZTVMBB-VURMDHGXSA-N	319.744	3.412	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]1C(=O)NC)c1cc(Cl)ccc1O	775524710	GVFLPOKBEUGFIE-KWCYVHTRSA-N	310.825	3.001	10	20	DGCD	
C[C@@H](NC[C@H]1CCC=CO1)c1ccc(N2CCOCC2)c(F)c1	783302614	FPJXRZWSQBHEBI-GDBMZVCRSA-N	320.408	3.006	10	20	DGCD	
C[C@H](NC[C@@H]1CCCOC1)c1cccc(C(F)(F)F)c1O	788777025	RVBSYBJTGSJRGF-QWRGUYRKSA-N	303.324	3.488	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(Cl)cn1	785752034	DUVZZBSBHBVFGA-UHFFFAOYSA-N	317.820	3.002	10	20	DGCD	
COc1cc(CN(C)Cc2cc(C)cc(OC)c2O)ccc1O	893920615	UUXKJVAAMGXMNJ-UHFFFAOYSA-N	317.385	3.055	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1O[C@H](C)C[C@H]1C	799881389	LNWAJYMVMQWBOV-RKVPGOIHSA-N	318.461	3.303	10	20	DGCD	
COc1ccc(CNCCC2(CSC)CC2)c(O)c1OC	895339374	MREFWLKDFGUXPB-UHFFFAOYSA-N	311.447	3.032	10	20	DGCD	
CC[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O	796791791	CNCOKMSXDRZETD-AWEZNQCLSA-N	324.396	3.191	10	20	DGCD	
CCN1CCN(c2ccc(CN[C@@H]3CCC3(C)C)cc2F)CC1	793524660	IUZMGPFUHQAISW-GOSISDBHSA-N	319.468	3.246	10	20	DGCD	
OCC[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1O	799350586	AAVNYZYBBKRBRO-MRXNPFEDSA-N	305.805	3.129	10	20	DGCD	
CC(C)CN(CC(=O)O)Cc1cc(Cl)cc(Cl)c1O	86778476	HSMXREUZTSZCDJ-UHFFFAOYSA-N	306.189	3.242	10	20	DGCD	
COc1ccc(CNC(=O)CSCc2cccs2)c(O)c1	1321101321	SUWUWKADYNWBOR-UHFFFAOYSA-N	323.439	3.012	10	20	DGCD	
CC[C@@H](C)[C@@H](CNCc1c(O)cccc1Br)OC	706799905	HZNZZVWDPSGZIR-QMTHXVAHSA-N	316.239	3.305	10	20	DGCD	
C[C@H](NCc1ccccc1O)c1ccc(Br)cn1	695250266	QLYFSLLSQDRPRK-JTQLQIEISA-N	307.191	3.401	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CCC[C@H](F)C3)cc2)CC1	1333368883	NJFGHPBGTNPFPA-JKSUJKDBSA-N	306.425	3.018	10	20	DGCD	
Nc1ccc(CNC(=O)N2CC3(CCC3)c3ccccc32)cc1	1346738035	DBOADBDJZKZKTA-UHFFFAOYSA-N	307.397	3.420	10	20	DGCD	
Cc1ccc(C(=O)NCCc2ccc(N)cc2)c2ncccc12	1579663652	DNPJTVSDFGQOHP-UHFFFAOYSA-N	305.381	3.098	10	20	DGCD	
Nc1ccc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1	1580445474	FXQAVIWCTJMMBF-HNNXBMFYSA-N	310.319	3.111	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2CC[C@H](CC(=O)O)C2)c(C)c1	1776856613	OQRIDHHWYGOKDA-GOEBONIOSA-N	304.434	3.184	10	20	DGCD	
CCN(CC)c1ccc(CNC2(C(=O)O)CC(C)(C)C2)cc1F	1776861184	MMTXUHLRSLCBDV-UHFFFAOYSA-N	322.424	3.405	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)cc(F)c1	152986251	JWYSUKSMDJZMGN-VIFPVBQESA-N	322.311	3.129	10	20	DGCD	
CSCC[C@H](C)NC(=O)NCCCSc1nccs1	153749552	CLOLURZYAYFRGJ-JTQLQIEISA-N	319.521	3.066	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCC[C@H]1C(F)(F)F	159084689	RVJOAYFPQIGRIP-GHMZBOCLSA-N	317.307	3.083	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(Br)cc2O)[C@H](C)CO1	701194742	WJGYQVMVLJUBST-MFKMUULPSA-N	314.223	3.154	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@H]1CCc2cccc(O)c21	389854504	YNSWJNCBMVAJPH-MNEFBYGVSA-N	322.452	3.490	10	20	DGCD	
Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	70333918	FVSIWRQXPXVENM-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(SC)cc2)c1O	105652645	KVLQMKQDOXSLEU-UHFFFAOYSA-N	303.383	3.053	10	20	DGCD	
COc1cccc(CNc2ccc3c(c2)NC(=O)CS3)c1O	122151306	VKAUWEYUVTYQJN-UHFFFAOYSA-N	316.382	3.057	10	20	DGCD	
CN(CCn1cccn1)Cc1cc(Cl)cc(Cl)c1O	125288996	VAVABUIOFGTEBC-UHFFFAOYSA-N	300.189	3.028	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)Nc2ccc(C#N)cc2)cc1	150729265	KPMVOQUSNPVKDR-UHFFFAOYSA-N	309.369	3.032	10	20	DGCD	
Oc1cc2c(cc1CNc1cccc(-c3ncco3)c1)OCO2	160395377	ZJLDCTIPCRWWLX-UHFFFAOYSA-N	310.309	3.388	10	20	DGCD	
COc1cc(O)c(CN2CCc3ccc(F)cc3C2)cc1OC	160455954	AYZINQOSSFFSAQ-UHFFFAOYSA-N	317.360	3.107	10	20	DGCD	
C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(N2CCCC2)cc1	178196483	SWHMMVNUPHVHHQ-CRAIPNDOSA-N	316.445	3.361	10	20	DGCD	
COc1ccc(O)c(CNC[C@](C)(O)c2cccc(Cl)c2)c1	184963796	REOURBNRBCTVHV-KRWDZBQOSA-N	321.804	3.052	10	20	DGCD	
COC[C@@H](N[C@@H](C)c1cc(Br)ccc1O)C1CC1	186153316	FGDLGOBYRIOJIX-TVQRCGJNSA-N	314.223	3.230	10	20	DGCD	
OCCSc1ncc(-c2ccccc2)n1CC(F)(F)F	194575794	VXLCSVUESJYFKI-UHFFFAOYSA-N	302.321	3.197	10	20	DGCD	
C[C@H](CC(=O)NCCc1ccc(N)cc1)Cc1cccc(F)c1	237638674	WOFUGPWTKFBXEN-AWEZNQCLSA-N	314.404	3.336	10	20	DGCD	
CC1(C2CCN(Cc3c(O)cccc3Cl)CC2)OCCO1	271195718	REPUDCVVEDPGNN-UHFFFAOYSA-N	311.809	3.021	10	20	DGCD	
COCCOc1ccccc1CN[C@H](C)c1ccc(F)cc1O	273381777	IHKBMPPIRMZUPU-CYBMUJFWSA-N	319.376	3.407	10	20	DGCD	
C[C@H](NCCN1CCSCC1)c1ccc2ccccc2c1O	273567837	JWOCFKOIFAGQPI-AWEZNQCLSA-N	316.470	3.245	10	20	DGCD	
CCc1nc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cs1	273620529	YUNWEUUMELXAKC-JTQLQIEISA-N	321.402	3.213	10	20	DGCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@H]1CCSC1	278392291	AIXXADAQSIIVRB-ZBFHGGJFSA-N	307.459	3.126	10	20	DGCD	
C[C@@H]1CC=CC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	285192582	AYNOAXULRLYTSY-UKRRQHHQSA-N	300.402	3.080	10	20	DGCD	
CCCOc1ccc(CNCc2cccc(OC)c2O)c(O)c1	289507369	UIUXCIGDNFEBRB-UHFFFAOYSA-N	317.385	3.185	10	20	DGCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@H]1c1cccnc1	291870259	JUWGODHBKYDGMM-KRWDZBQOSA-N	312.369	3.099	10	20	DGCD	
C[C@@H]1Oc2ccc(N[C@H]3CCc4cccc(O)c43)cc2NC1=O	296887196	OKCUOKXALZZQNH-GWCFXTLKSA-N	310.353	3.211	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](O)c2ccco2)cc1F	304488592	CJWQCOJRRCPAND-INIZCTEOSA-N	306.381	3.088	10	20	DGCD	
CCN(CCOc1ccccc1OC)Cc1ccc(N)cc1	315975563	MRBFKXQXRZEYHR-UHFFFAOYSA-N	300.402	3.178	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@H](c3ccccc3OC)C2)c1	371426694	YUUANIZCFRSIBS-AWEZNQCLSA-N	313.397	3.399	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O	724943319	NPUORPFEHXCHDU-OLZOCXBDSA-N	306.406	3.052	10	20	DGCD	
CCN(Cc1ccc(C(=O)O)cc1)Cc1ccc(N(C)C)cc1	737106819	WYAGGTHTKIFSAK-UHFFFAOYSA-N	312.413	3.473	10	20	DGCD	
CCN1CC[C@H](NCc2ccc(N(CC)CC)c(F)c2)[C@@H](C)C1	742385875	ZJQUHXCEACBORD-YJBOKZPZSA-N	321.484	3.492	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C(C)C)on2)c1	743222367	ZFPXLSYDWARPPT-JTQLQIEISA-N	319.361	3.395	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](COC)Cc2ccccc2)c1	747100912	XZYONIWUVCOOTQ-QGZVFWFLSA-N	315.413	3.138	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCn2cccn2)c1C	747214268	WNOPCQOMZVKOFT-UHFFFAOYSA-N	322.412	3.029	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccn(C)c1	747935556	UCHGMCNOLGCXHE-UHFFFAOYSA-N	313.426	3.424	10	20	DGCD	
CCn1c(/C(Cl)=C/c2cnnn2C)nc2c(F)cccc21	751031981	MQAAEBCSPAFLDK-YFHOEESVSA-N	305.744	3.061	10	20	DGCD	
COC(=O)[C@H](CC1CCCCC1)NCc1cccc(OC)c1O	756145622	CFYBSMRCMIXVMF-HNNXBMFYSA-N	321.417	3.002	10	20	DGCD	
O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc(O)cs1	761039713	YXUKVODXVYSWNM-UHFFFAOYSA-N	313.338	3.288	10	20	DGCD	
COc1cc(CN2CCO[C@H](c3ccccc3)C2)c(O)cc1C	768442377	TZBNWBACFBFOGI-IBGZPJMESA-N	313.397	3.283	10	20	DGCD	
COc1cc(CN2CCC(CN(C)C(C)C)CC2)c(O)cc1C	768448616	SWEFUEXTCWPVKI-UHFFFAOYSA-N	320.477	3.261	10	20	DGCD	
CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCS1	769446844	CLCJNYLUNHQPTJ-UHFFFAOYSA-N	316.810	3.281	10	20	DGCD	
CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1	769523394	ANUVLONDPVFYRF-MRXNPFEDSA-N	318.461	3.449	10	20	DGCD	
Cc1cccc(OCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773018675	WPESMYLLXPHPEG-OAHLLOKOSA-N	312.413	3.317	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccsc1	773763334	TUGOXEJVJKZLLP-GFCCVEGCSA-N	319.426	3.229	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC4(CCCC4)C3)cc2)CC1	775690275	OLCHXFMUPQWBHH-UHFFFAOYSA-N	313.489	3.205	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CN1C	775987746	WFESPXFEXNVRAX-IRXDYDNUSA-N	301.478	3.201	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)c(O)c1O	780888610	LTSZZEMSLZUVGS-NJZAAPMLSA-N	303.402	3.447	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1/C=C\c1ccccc1	790922623	RTEXWOOQTXOZMS-QYMJWVLRSA-N	309.365	3.416	10	20	DGCD	
CCN(Cc1ccc(S(C)(=O)=O)cc1)c1ccc(OC)cc1	792869086	AEZGDRFRBQRDCL-UHFFFAOYSA-N	319.426	3.125	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@@]3(CCO[C@@H]3C)C2)cc1C(C)C	794661300	HDJYCBQYZMVQGV-BEFAXECRSA-N	319.445	3.204	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cc2c(cc1Cl)OCCO2	808736127	KNEPOKXZMKXAHJ-UHFFFAOYSA-N	319.788	3.449	10	20	DGCD	
O=C(CCNCc1ccc2ccccc2c1O)Nc1ccccn1	816541385	LJJGPJQSMHMQQA-UHFFFAOYSA-N	321.380	3.059	10	20	DGCD	
COc1nc(C)cc(C)c1CNCc1cc(Cl)c(F)cc1O	816546350	HOBHQMVXSVWONZ-UHFFFAOYSA-N	324.783	3.495	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCC[C@@]1(O)C[C@H]2CC[C@H]1C2	816616607	BAVCWGMXHVUMHK-KNHMANMVSA-N	313.800	3.216	10	20	DGCD	
C[C@@H](NC1CCNCC1)c1ccc(N2CCCCCC2)cc1	817935065	FKNLIOPRXUOHHR-MRXNPFEDSA-N	301.478	3.470	10	20	DGCD	
CC[C@H](N)CN[C@@H](C)c1cc(Br)cc(Cl)c1O	817979321	JMRUBEBPHQOYOJ-CBAPKCEASA-N	321.646	3.196	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC[C@H]3CNC[C@H]3C2)c1O	817985692	GYHNMPYSLSBXPV-RMRHIDDWSA-N	308.853	3.393	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)[C@@H](C(=O)O)C(C)C)ccc1OC	819163512	KINYDQJXTNPAPB-GUYCJALGSA-N	323.433	3.067	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1C	824815769	YZCJLJUBKVVMMN-IINYFYTJSA-N	314.223	3.012	10	20	DGCD	
C[C@@H](NC(=O)[C@@H](C)N1CCc2ccccc2C1)c1ccccc1O	827937300	RBSNOXPBGJAAMH-HUUCEWRRSA-N	324.424	3.016	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H]2[C@H]3CCCCCC[C@H]32)c1O	830541354	WQDOJYTXWGTDGZ-FOLVSLTJSA-N	303.402	3.233	10	20	DGCD	
C[C@H](Nc1cccc(CCO)c1)c1cc([N+](=O)[O-])ccc1O	834910946	GWTFYDDVUORQST-NSHDSACASA-N	302.330	3.008	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3C[C@@H](C)O[C@@H]3C)CC2)cc1	840872324	KNKZXJBVEMUSHJ-OAGGEKHMSA-N	318.461	3.067	10	20	DGCD	
COCC1CCC(NCc2cc(Cl)cc(F)c2O)CC1	840962771	NDFMEFXGAYOLSG-UHFFFAOYSA-N	301.789	3.480	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@]2(C)CCCNC2)cc1F	841057554	PIRWDGUCZSRKAR-GOSISDBHSA-N	307.457	3.151	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC([C@@H]2CCCN2)CC1	843046654	YAUCBILNYDGJSE-AWEZNQCLSA-N	312.816	3.149	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)Cc2cccc(OC)n2)c1	845972502	QZQXSKOGOXFJRD-QWHCGFSZSA-N	316.401	3.086	10	20	DGCD	
CCOc1ncccc1CN[C@H](C)c1cccc(OC)c1O	846139042	OQTQUFDIZZVJKF-GFCCVEGCSA-N	302.374	3.045	10	20	DGCD	
COc1cccc([C@H](C)NCCN(C)Cc2ccccc2)c1O	846142154	CKZRAXYWIBNDHL-HNNXBMFYSA-N	314.429	3.183	10	20	DGCD	
COc1cccc([C@@H](C)NCC(C)(C)C2(O)CCCC2)c1O	846169780	UCQJVTRKZMCVLY-CYBMUJFWSA-N	307.434	3.383	10	20	DGCD	
CC[C@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O	846206269	OYXNBHSREYCYJM-ABAIWWIYSA-N	322.836	3.097	10	20	DGCD	
C/C=C/C[C@@H](CO)NCc1cc(OC)cc(C(C)(C)C)c1O	850249581	DJRJGWFWPYZPBD-UZYOAWRESA-N	307.434	3.115	10	20	DGCD	
CCCn1nccc1CN[C@H](C)Cc1ccc(N(C)C)cc1C	850326617	AIIUGPYSFWVMNM-MRXNPFEDSA-N	314.477	3.388	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2COc3cc(F)ccc3C2)c1O	850537797	URUTYAHVLZHPSE-SMDDNHRTSA-N	317.360	3.194	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2ccc3c(c2)CCO3)cc1F	858120839	NRQSVGIJLWCHCN-UHFFFAOYSA-N	318.367	3.256	10	20	DGCD	
C[C@H](COCC1CC1)NCc1c(O)cccc1Br	858183632	JFXJVSSJZDPUBT-SNVBAGLBSA-N	314.223	3.059	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(F)cc1O	858478971	FYMSDDQVLFTDOQ-GXTWGEPZSA-N	316.367	3.302	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@@H]2OCCc3ccccc32)c1	862759592	GVNFLVNDSUGILG-SFHVURJKSA-N	311.381	3.021	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)c2c(O)ccc(F)c21	873263695	KBPUHFMBMOKQLK-VVSAWPALSA-N	304.409	3.200	10	20	DGCD	
CC(C)c1ncc(Cl)c(C(=O)N(C)c2ccc(N)cc2)n1	877078321	LWODKZGBATXJDW-UHFFFAOYSA-N	304.781	3.112	10	20	DGCD	
C[C@@H](C[C@@H](O)c1ccccc1)NCc1cc(F)cc(F)c1O	883079490	VTHGHLNFPXBRJP-MEDUHNTESA-N	307.340	3.272	10	20	DGCD	
CCCCn1cc(CNCc2cc(F)cc(F)c2O)c(C)n1	883081543	HUWQGDZWJNZARZ-UHFFFAOYSA-N	309.360	3.265	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O	894312649	LXZSZCGUHJFOIW-XKQJLSEDSA-N	305.418	3.002	10	20	DGCD	
COc1cc(C)cc(CNCc2ccc3c(c2)C[C@H](C)O3)c1O	896825424	RYRBRBLXUQVIBR-ZDUSSCGKSA-N	313.397	3.322	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2ccsc2[nH]1	935947547	ZMCCNKJZTAVUEX-UHFFFAOYSA-N	321.398	3.351	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@H]3CC[C@@H](C)C3)CC2)cc1	1116480349	IWFNNCRAWGPREA-CVEARBPZSA-N	316.445	3.170	10	20	DGCD	
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N)cc1	1262570583	ZGIAHFHAKTWLFJ-GOSISDBHSA-N	311.429	3.479	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1cccc(N(C)C)n1	1323830045	PAWIVVOFIHGLMD-ZFWWWQNUSA-N	311.429	3.500	10	20	DGCD	
Cc1ccc(C[C@H](C)NC(=O)NCc2ccc(N)cc2)c(C)c1	1335478850	WSMKQLVIYIDROR-HNNXBMFYSA-N	311.429	3.316	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(C(C)(F)F)n1CC1CC1	1520595805	FDKXQVJTSALTKO-UHFFFAOYSA-N	322.359	3.142	10	20	DGCD	
C[C@H]1[C@@H](NCc2ccc(N3CCCC3)cc2)CC[C@@H]1CC(=O)O	1609839045	HJHAYZBKHAWMCS-KYJSFNMBSA-N	316.445	3.266	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)c2ccccc2)c(C)c1	1776856538	PHNGXPVYYGNUGA-GOSISDBHSA-N	312.413	3.367	10	20	DGCD	
CCCC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	92707682	IUDWHYHMGGAAIS-ZDUSSCGKSA-N	324.852	3.174	10	20	DGCD	
C[C@@H](C(=O)Nc1cc(F)ccc1F)N(C)Cc1ccccc1O	109770788	NAVGWNNHNVRZBY-NSHDSACASA-N	320.339	3.129	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1	123894943	QZRRAOBLIYCMKJ-PBHICJAKSA-N	301.434	3.299	10	20	DGCD	
CC[C@H](O)CCNC(=O)c1sccc1-n1c(C)ccc1C	125137658	IQAZLVWWSRMHJD-ZDUSSCGKSA-N	306.431	3.046	10	20	DGCD	
Cc1cc(Cl)ncc1NC(=O)N(C)Cc1ccccc1O	133214277	ONQQFTYTCBLKGV-UHFFFAOYSA-N	305.765	3.413	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](c2ccccc2)C(C)C)c1O	175930509	BJRVCQJPKGJNIT-QGZVFWFLSA-N	313.397	3.457	10	20	DGCD	
COc1ccc(N(C)Cc2ncc(Cl)n2C)cc1Cl	177072210	SVASPGLGCPXGHH-UHFFFAOYSA-N	300.189	3.372	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2[C@H]3CCC[C@H]23)cc1F	178220727	BWTNHWSAYQFOTI-KBPBESRZSA-N	304.409	3.334	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@@H](C)c2cc(F)ccc2O)cc1	185827233	OAIAEYVYEDYWBO-SJCJKPOMSA-N	319.376	3.314	10	20	DGCD	
C/C=C/C[C@@H](CO)N[C@H](C)c1ccc(Br)cc1O	186510082	VLFYEHOPFGMVLU-YGEYTSGZSA-N	314.223	3.132	10	20	DGCD	
Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)co1	188866189	LUQPDVZEJQFILG-INIZCTEOSA-N	315.369	3.115	10	20	DGCD	
Cc1cccc(OCCCC(=O)NCCc2ccc(N)cc2)c1	237705878	UHOCLJUAWCEETL-UHFFFAOYSA-N	312.413	3.095	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)ccc21	245947224	VVSMCLAXZLIYNQ-QXAKKESOSA-N	314.473	3.362	10	20	DGCD	
CC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C)O1	247671448	PXPXULYQJGJVKB-DOMZBBRYSA-N	307.434	3.395	10	20	DGCD	
C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Cc1ccc(N)cc1	262626939	LKHKAXYQBQOUTG-MAUKXSAKSA-N	308.425	3.291	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@](C)(OC)CC2)c1O	280107041	AUJUIZOHOZSMRD-INIZCTEOSA-N	313.825	3.445	10	20	DGCD	
CSC1(CN(Cc2ccccc2O)C[C@@H]2CCCO2)CC1	289031856	HBEVNIUDOBPDIA-HNNXBMFYSA-N	307.459	3.269	10	20	DGCD	
Cc1ccc([C@H](C)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(O)c1	296621251	WXBJLPMLWOFEGC-HRCADAONSA-N	324.424	3.043	10	20	DGCD	
CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(O)cs2)C1	732293467	KHSROTRPMNLNKJ-LBPRGKRZSA-N	310.463	3.084	10	20	DGCD	
CCOc1ccc(CN[C@H](CCO)c2ccccc2)c(O)c1	740900504	RPDWZLAXKIQZST-QGZVFWFLSA-N	301.386	3.004	10	20	DGCD	
CC[C@@H](C[C@@H](C)CO)NCc1cc(Br)ccc1O	743499931	QFKWBOMXMYDLIJ-MFKMUULPSA-N	316.239	3.041	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@]1(C)c1ccccc1	745858164	ORSFIYONMKHBJP-PKOBYXMFSA-N	310.397	3.264	10	20	DGCD	
O=C(NCCc1nc2ccccc2s1)c1cc(O)cs1	746411888	UENZFELXTMWAIO-UHFFFAOYSA-N	304.396	3.036	10	20	DGCD	
Cc1ccc(/C=C\S(=O)(=O)N(C)Cc2ccccc2O)cc1	751239472	JUXSSTAUSLLMOM-QXMHVHEDSA-N	317.410	3.133	10	20	DGCD	
CC1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCC(F)(F)CC1	752837207	XMBQWADOPDSNCP-HYXAFXHYSA-N	311.328	3.195	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1	756055744	HZBWGTNYJJUUEF-CQSZACIVSA-N	301.434	3.275	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C(F)(F)F)O1	769497556	QZAPBZQQNISMCA-HZMBPMFUSA-N	320.330	3.043	10	20	DGCD	
CN(CC(F)F)C1CCN(Cc2cc(Cl)ccc2O)CC1	769511069	RXAVFRLXXXNILE-UHFFFAOYSA-N	318.795	3.207	10	20	DGCD	
COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1F	774913548	FASZTMHTSISVDQ-UHFFFAOYSA-N	322.292	3.069	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1ccc(O)cc1)c1ccc(N(C)C)cc1	775402567	HFWAMNOHLBZFON-XMRSSTEGSA-N	310.397	3.349	10	20	DGCD	
CC[C@@H](N[C@H](C)COCCOC)c1cc(Cl)ccc1O	775528376	XSNXIMFZBSTHIQ-BXUZGUMPSA-N	301.814	3.138	10	20	DGCD	
CC[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775654240	JKYMZOQIPFGBCC-QGZVFWFLSA-N	301.478	3.060	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(F)c(OC)c2)c1	783306326	HBHTXZXTUJGRMA-SNVBAGLBSA-N	319.332	3.500	10	20	DGCD	
CC[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H](C)O	789949204	FWZUGWDFGNEFGY-CRAIPNDOSA-N	318.461	3.042	10	20	DGCD	
Cc1ccccc1[C@H](CO)NCc1c(O)ccc(Cl)c1F	790970158	BDDMSKLJCGAMBR-AWEZNQCLSA-N	309.768	3.316	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1	790992262	WBJAIFOXLWVIHT-HNNXBMFYSA-N	312.461	3.455	10	20	DGCD	
Cc1nc2c(C(=O)NCc3ccc(N(C)C)cc3)cccc2o1	791480043	XVGYGHBRFQETLF-UHFFFAOYSA-N	309.369	3.132	10	20	DGCD	
C[C@@H]1CC[C@H](CNC(=O)NCCCSc2nccs2)C1	793104376	QYKYSCUZKZWKKV-NEPJUHHUSA-N	313.492	3.361	10	20	DGCD	
COc1ccc(CNC/C=C\c2ccc(F)cc2F)c(O)c1	793387187	AMLAFUMRDQVAHC-IHWYPQMZSA-N	305.324	3.482	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2c(F)cccc2SC)c1	798980872	CHXDMZMTOLXUJF-UHFFFAOYSA-N	321.373	3.192	10	20	DGCD	
COCC[C@@H]1CCC[C@@H]1NCCCSc1nccs1	800479640	HRPAEJANWPSCLE-STQMWFEESA-N	300.493	3.420	10	20	DGCD	
COc1cccc(O)c1CN1CCCN2c3ccccc3C[C@H]2C1	811512616	HEYJKAJGRRSXCB-INIZCTEOSA-N	324.424	3.038	10	20	DGCD	
CC1(C)CN(Cc2c(O)ccc3ccncc23)[C@H]1[C@@H]1CCCO1	811776216	LHYWBKQGNGBFRA-ROUUACIJSA-N	312.413	3.330	10	20	DGCD	
COc1ccc(CNCc2cc3ccccc3n(C)c2=O)cc1C	813789788	CXQMXTCVSNMZMX-UHFFFAOYSA-N	322.408	3.145	10	20	DGCD	
CCOc1cccc(/C=C2/SC(=S)N(C3CCC3)C2=O)n1	814186079	VKVNAOMQYWGFKK-FMIVXFBMSA-N	320.439	3.234	10	20	DGCD	
Cc1cc(CN2C[C@@H](C(F)(F)F)O[C@H](C)C2)ccc1N(C)C	815055753	MIEVLLJEYZSRRZ-DOMZBBRYSA-N	316.367	3.213	10	20	DGCD	
CCCN(C)C[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1	815057583	UWKHDVOAGLHFAI-SFHVURJKSA-N	303.494	3.225	10	20	DGCD	
COc1cccc(CNCCC(C)(C)C(=O)OC(C)(C)C)c1O	818228149	PGAAYLDFFQKAPM-UHFFFAOYSA-N	323.433	3.248	10	20	DGCD	
CCc1cc(=NC2CCN(c3ccc(OC)cc3)CC2)cc[nH]1	827537732	NSDZOIHJBBVDTM-UHFFFAOYSA-N	311.429	3.155	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2ccc(OC3CC3)cc2)ccc1O	829893434	USKIALGBRREQKC-UHFFFAOYSA-N	319.382	3.043	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc([N+](=O)[O-])c(C)c1	830394781	LXUUVBFDEUNSEE-UHFFFAOYSA-N	305.286	3.336	10	20	DGCD	
CCOc1ccc(O)c([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c1	840829071	WPAIVCUXGCVUQI-OAHLLOKOSA-N	320.433	3.046	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)Cc1cnccn1	840894037	OUCXIKUCRYOHJM-CVEARBPZSA-N	312.461	3.003	10	20	DGCD	
COc1cc(CN2CCC[C@H]2[C@@H]2CCCOC2)c(O)cc1C	842613590	CXLUGZLLEHOIGS-ZBFHGGJFSA-N	305.418	3.100	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)CCC(C)(F)F)cc1	844853049	RMOBOQMCRVEKGU-UHFFFAOYSA-N	314.376	3.025	10	20	DGCD	
OC1CCN(c2ccc(CNC/C=C/c3ccccc3)cc2)CC1	850405852	HMLWZNLAJMKEDI-QPJJXVBHSA-N	322.452	3.451	10	20	DGCD	
CC1(C)OC[C@H](CN(Cc2ccccc2O)C2CCCC2)O1	851771618	KJGXLNLSNBPEHX-INIZCTEOSA-N	305.418	3.288	10	20	DGCD	
Cc1ccc(O)c(CNC2CCN(C(=O)CC(C)(C)C)CC2)c1	858237355	KXFUUOISYTYFFC-UHFFFAOYSA-N	318.461	3.217	10	20	DGCD	
C[C@H](Nc1cccc2c1OCC2)c1cc([N+](=O)[O-])ccc1O	858477196	HJHWSNSOVFFZKA-JTQLQIEISA-N	300.314	3.408	10	20	DGCD	
CCSc1cc(C(=O)NCc2cc(C)ccc2O)ccn1	862758465	ALHOEBRYZXPGQC-UHFFFAOYSA-N	302.399	3.138	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1O	894337434	SGHYEEMSEXVIAL-ZHALLVOQSA-N	309.409	3.385	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C(C)C)[C@H](CO)C(C)C)c1O	894902656	KHVCWHWVVQFWAH-NVXWUHKLSA-N	309.450	3.088	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CC2CCCCC2)C(=O)O)cc1F	901771978	NVOJMGLLVDIREE-MRXNPFEDSA-N	322.424	3.405	10	20	DGCD	
CC(C)[C@@H](NCc1c(O)ccc(Cl)c1F)c1cnn(C)c1	922896265	XCHZQRVZAONDGW-OAHLLOKOSA-N	311.788	3.405	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@H]1CN[C@@H](C)c1cc(OC)ccc1O	930216385	GRRCVWFUAJSRLU-KCQAQPDRSA-N	321.417	3.031	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H](C)c2cc(C)oc2C)c(O)c1	1116876867	DUUHGMICADXQJC-NSHDSACASA-N	318.373	3.171	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1	1119319505	BYMNIFFUWLILGL-UHFFFAOYSA-N	323.440	3.436	10	20	DGCD	
Cc1cc(CN2CCCC3(CCNCC3)C2)ccc1N(C)C	1204735164	MLOQMVROOJKJSP-UHFFFAOYSA-N	301.478	3.027	10	20	DGCD	
NC[C@H](Cc1ccccc1)[C@H]1CCCCN1Cc1ccc(N)cc1	1262487927	KFDJZOQTUDSKQA-PZJWPPBQSA-N	323.484	3.441	10	20	DGCD	
C[C@H]1CN(c2nnc(-c3sccc3O)n2C)CC(C)(C)C1	1262854616	QQGFYGDSNHFRCN-SNVBAGLBSA-N	306.435	3.122	10	20	DGCD	
OCC[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccco1	1320583168	FHBXADYGMOBEEV-QGZVFWFLSA-N	300.402	3.093	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1cccc(N(C)C)n1	1323830031	PAWIVVOFIHGLMD-DZGCQCFKSA-N	311.429	3.500	10	20	DGCD	
CCC[C@@H](C)c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1	1329333504	DMDNFJKGJYCFGK-LXSSAFMLSA-N	315.373	3.376	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H](c2cccs2)C2CC2)cc1	1336720308	DXHYNWBMCDXTIZ-OAHLLOKOSA-N	301.415	3.281	10	20	DGCD	
CCOC(=O)N1CC[C@H](N[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)C1	1338185070	CZHZFFRWCOIOFM-MELADBBJSA-N	318.417	3.069	10	20	DGCD	
COc1ccc(N2CCN(c3nc4cccc(C)c4o3)CC2)cc1	1344112645	VYFSKXGMXOBKDK-UHFFFAOYSA-N	323.396	3.471	10	20	DGCD	
CCn1cncc1COC(=O)c1cc(C)n(-c2ccccn2)c1C	1350335816	ZGOGHBLRIFCPKR-UHFFFAOYSA-N	324.384	3.063	10	20	DGCD	
C[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CCN1	1576809471	ZDGJDGPHAVYVEH-QGZVFWFLSA-N	321.468	3.043	10	20	DGCD	
O=C(O)c1ccc2c(c1)CN(Cc1cc3c(cc1O)CCCC3)C2	1608923357	RHODYWRTWQZHDV-UHFFFAOYSA-N	323.392	3.485	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CC2CCC2)C(=O)O)c(C)c1	1776856132	OWEIFHJGHXDHGB-KRWDZBQOSA-N	304.434	3.184	10	20	DGCD	
CCN(C)c1ccc(CNC2(C(=O)O)CCCCC2)c(C)c1	1776856915	WKDWBIBBRYMNKR-UHFFFAOYSA-N	304.434	3.328	10	20	DGCD	
CCN1CCCc2cc(CN[C@]3(C(=O)O)CC[C@@H](C)C3)ccc21	1776875987	HPSPFEDQCSXBKE-AUUYWEPGSA-N	316.445	3.192	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H](C(=O)O)C3(CCCCC3)C2)cc1	1777039368	LQRJPOXPURISTE-QGZVFWFLSA-N	316.445	3.220	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccnc1	43788742	CXHQPFYAGHWXCP-CQSZACIVSA-N	312.417	3.050	10	20	DGCD	
O=[N+]([O-])c1ccc(-c2nnc(CSc3nccs3)o2)cc1	52913880	ONKCGSUSRQMZNO-UHFFFAOYSA-N	320.355	3.394	10	20	DGCD	
Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1C	54285145	YRUNNJGMLSBNKS-UHFFFAOYSA-N	324.424	3.070	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(F)c2)c1	78493390	LKJKDYHSMUOKQY-SNVBAGLBSA-N	304.321	3.423	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@@H](c3cccc(F)c3)C2)cc1	92975472	WJFXPQYKYIQVOE-LJQANCHMSA-N	314.404	3.465	10	20	DGCD	
CN1CCCc2cc(CNc3ncnc4ncccc34)ccc21	119167383	HWFSJIAOVPJSLL-UHFFFAOYSA-N	305.385	3.019	10	20	DGCD	
CCOc1cccc(CNc2cccc(-c3nnco3)c2)c1O	120664292	KZEJJUZSJRTARG-UHFFFAOYSA-N	311.341	3.453	10	20	DGCD	
CC[C@@H](NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)c1ccccc1O	154976219	YKEAGHYJPYNDDQ-HLLBOEOZSA-N	320.477	3.321	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)N3C)cc1C(C)C	174090841	SQHUBUAGKPLPNL-SJORKVTESA-N	302.462	3.493	10	20	DGCD	
CNC(=O)c1ccc(CN(C)Cc2cc(Cl)ccc2O)cc1	179757708	FPPOFBDKJDEEKM-UHFFFAOYSA-N	318.804	3.037	10	20	DGCD	
C[C@H](NCC[C@](C)(O)c1ccccc1)c1ccc(F)cc1O	187927141	BNFNMBDRVCYIMU-UGSOOPFHSA-N	303.377	3.480	10	20	DGCD	
C[C@H](CNCc1cc(Cl)ccc1O)NC(=O)OC(C)(C)C	192685255	AGSLPRGKWNAAQV-SNVBAGLBSA-N	314.813	3.048	10	20	DGCD	
Cc1cc(C(=O)Nc2nnc[nH]2)c(C)n1-c1ccc(Cl)cc1	194660897	XAJGLZNYBUILPR-UHFFFAOYSA-N	315.764	3.118	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)nc1)c1cc(Cl)ccc1O	273412740	PZPHQJVNIZYXNM-LLVKDONJSA-N	305.809	3.357	10	20	DGCD	
C[C@@H](NCc1ccn(C)c1)c1ccc(Br)cc1O	273567899	JYDRPIHFZKZUGY-SNVBAGLBSA-N	309.207	3.344	10	20	DGCD	
C[C@@H](C[S@](C)=O)N(C)Cc1cc(-c2ccccc2)ccc1O	275300869	QLWUCNARZNWHGD-FPTDNZKUSA-N	317.454	3.258	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](CC)c2ccc(F)cc2O)[C@]12CCCO2	286352181	ZFZWKTAPKCEASA-DZJNRPSUSA-N	323.408	3.299	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@](C)(OC)C1CC1	292335629	OMDIXVSXGWCUIT-SFHVURJKSA-N	320.433	3.129	10	20	DGCD	
CCCCc1nc(CN(CC)c2ccc(OC)c(OC)c2)no1	299289577	SKETURYWIFOGKA-UHFFFAOYSA-N	319.405	3.456	10	20	DGCD	
CN(Cc1ccc(N)cc1)C[C@H]1CCN(Cc2ccccc2)C1	382756085	INFSZWOYJGVNKL-LJQANCHMSA-N	309.457	3.223	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@@H](CC)O1	398443521	PVVYLNYPHWBXCQ-HUUCEWRRSA-N	309.381	3.123	10	20	DGCD	
Cc1ccc(CCNCc2ccc(Br)cc2O)nc1	691431414	VXURHTZACUSRLJ-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
COCC[C@@H](C)NCc1cc(Cl)cc(Br)c1O	708099529	QAVCSCPMSPPINJ-MRVPVSSYSA-N	322.630	3.323	10	20	DGCD	
CSc1ccc(COC(=O)c2ccc(C)c(O)c2O)cc1	727004972	ASSBACXRAJNZLH-UHFFFAOYSA-N	304.367	3.485	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCCCC2)cc1F	731362020	LICQFOAXDNDZED-UHFFFAOYSA-N	307.413	3.367	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c1	734070136	CFBDDOPICCKMBJ-DZGCQCFKSA-N	320.433	3.415	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](OC)C(F)(F)F)cc1F	740008200	ZBKTYIIVEZTHBD-CQSZACIVSA-N	322.346	3.339	10	20	DGCD	
CC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	743760536	QFDJOFWJHQDELA-LJQANCHMSA-N	314.429	3.293	10	20	DGCD	
CCCCO[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)C1(C)C	748958728	GRRSOMQLEYHWJQ-HZPDHXFCSA-N	320.433	3.175	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCN2CCCCC2=O)c(O)c1C	756557934	YELYDBKBKGNMGC-OAHLLOKOSA-N	304.434	3.062	10	20	DGCD	
CC(=O)NCc1ccc(N[C@H](C)c2cc(F)cc(F)c2O)cc1	757605188	UNIMBVRGWJJAOT-SNVBAGLBSA-N	320.339	3.480	10	20	DGCD	
CC(=O)c1cc(F)cc(CNC(C)(C)c2ccc(C)nc2)c1O	759910991	KWEMQPQJFAOYOZ-UHFFFAOYSA-N	316.376	3.462	10	20	DGCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](c2ccsc2)O1	760140196	GGHBFDNQLMQQDL-SKDRFNHKSA-N	309.412	3.117	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)[C@H](C)C2)cc1	763926535	SOFHBDLLOCNCTP-ZBFHGGJFSA-N	316.445	3.154	10	20	DGCD	
CC[C@@H](N[C@@H](CCO)CSC)c1cc(Cl)ccc1O	775509693	PCVUEAFJFDQAQZ-WCQYABFASA-N	303.855	3.200	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCO[C@@H](Cc2ccccc2)C1	776693464	UCTGGDVYPTZGLG-HNNXBMFYSA-N	317.816	3.489	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccc2c(c1)COC2	778225434	YESCZAFYVPJGDT-UHFFFAOYSA-N	310.397	3.182	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCc2ccc(F)cc21	779513126	DTJGPTLSYMBETO-SDHLOXDLSA-N	313.328	3.054	10	20	DGCD	
CCN(Cc1nccc(OC)c1OC)c1ccc(OC)cc1	789341390	IBYXECLUKASRKW-UHFFFAOYSA-N	302.374	3.134	10	20	DGCD	
COc1ccc(CNC(=O)CC(C)(C)c2ccccc2)c(O)c1	794387807	MJHPXFPSKFMXJS-UHFFFAOYSA-N	313.397	3.385	10	20	DGCD	
O=C(NCCF)C(=O)Nc1ccc(N=Nc2ccccc2)cc1	798062114	UTKPZWBDNCQSAC-UHFFFAOYSA-N	314.320	3.126	10	20	DGCD	
CC[C@H](NC[C@H](O)COCC(C)C)c1cccc(Cl)c1O	806133460	NOLQMTUPXGJXKK-WFASDCNBSA-N	315.841	3.120	10	20	DGCD	
CO[C@H](C)CCC(=O)NCc1cc(Cl)cc(Cl)c1O	807837927	GGJTZQOFHJSHKO-MRVPVSSYSA-N	306.189	3.130	10	20	DGCD	
Oc1ccc(F)cc1CNCCc1nc2ccccc2s1	809728151	NCOYTSXNQWJUSL-UHFFFAOYSA-N	302.374	3.473	10	20	DGCD	
CCOCc1cc(CNC2CCC(N(C)C)CC2)ccc1OC	817415961	CHNCBPBYMSHIPV-UHFFFAOYSA-N	320.477	3.194	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CCc4n[nH]cc4C3)cc12	817762099	SBUXFNRBYMARTK-ZDUSSCGKSA-N	323.396	3.229	10	20	DGCD	
COc1cccc(O)c1CN1CCOC[C@@H]1c1ccc(F)cc1	825045433	DIXYEOBHSBYVNS-MRXNPFEDSA-N	317.360	3.113	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCc3cccc(O)c32)C(=O)N1c1ccccc1	834674003	ZRYXPKHPKLVGLQ-COXVUDFISA-N	322.408	3.163	10	20	DGCD	
C[C@H](Cc1ccc(F)cc1)NC[C@@H](N)c1ccc(N(C)C)cc1	841045775	PTTBVVGXQIRPRI-AUUYWEPGSA-N	315.436	3.112	10	20	DGCD	
C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1O	841747450	RATUTTALHGDXLG-GXSJLCMTSA-N	322.758	3.333	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc([C@@H](C)O)cc2)c1O	846144363	LWSGMHZQSHVURP-QWHCGFSZSA-N	301.386	3.305	10	20	DGCD	
COc1cccc([C@@H](C)Nc2ccc(OC3COC3)cc2)c1O	846166141	QTXODLOVURWQGB-GFCCVEGCSA-N	315.369	3.352	10	20	DGCD	
COc1cccc([C@H](C)NCC(C)(C)CN2CCCC2)c1O	846167509	ZCMCMRMMYSKBMJ-AWEZNQCLSA-N	306.450	3.173	10	20	DGCD	
Cc1cc(CN(C)Cc2nc(C)no2)c(O)c(C(C)(C)C)c1	848503477	GALSSIYROZWSKK-UHFFFAOYSA-N	303.406	3.322	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cnn(C2CC2)c1	858835955	ONCMQTYFONKDQR-UHFFFAOYSA-N	324.428	3.138	10	20	DGCD	
O=C(CC(C1CCC1)C1CCC1)NCCc1ccc(O)c(O)c1	860236702	KZRKIFIHVSCXEM-UHFFFAOYSA-N	317.429	3.363	10	20	DGCD	
Cc1cc(CNC(=O)CC2(O)CCC2)c(C)n1-c1ccccc1	863163983	VNKJGWZNCPXMBB-UHFFFAOYSA-N	312.413	3.015	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@H](CC(C)(C)C)C(=O)O)cc1F	864507448	NTQSHXKXSXTPCG-CYBMUJFWSA-N	314.376	3.010	10	20	DGCD	
C[C@H](CN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21)CC1(C)OCCO1	866426271	XIUMRJLXNNQFQZ-SGMGOOAPSA-N	323.408	3.458	10	20	DGCD	
CC(=O)N1CCC[C@H]1c1noc(-c2ccc(-n3cccc3)cc2)n1	867075930	PZKAMYDHNRNYNN-INIZCTEOSA-N	322.368	3.211	10	20	DGCD	
C[C@@H](NC(=O)N1CCC(C)(F)CC1)c1ccc(N(C)C)cc1	868514840	FCEWMBLCOOBMDM-CYBMUJFWSA-N	307.413	3.347	10	20	DGCD	
Cc1nonc1CN[C@H](C)c1ccc(N2CCCCC2)cc1	872135705	HWJOKRXAJNLOOC-CYBMUJFWSA-N	300.406	3.219	10	20	DGCD	
COc1ccc(CNCc2ccc(C)o2)cc1Cn1cccn1	873150739	PEDOHORXBGEBHQ-UHFFFAOYSA-N	311.385	3.131	10	20	DGCD	
C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1c(O)cccc1F	886547884	SZDWDYZZULCIBA-NOZJJQNGSA-N	311.303	3.194	10	20	DGCD	
CCOCc1nc(C)cc(N[C@@H](C)c2cc(OC)ccc2O)n1	892331086	RPQLXSOGVUEQSN-LBPRGKRZSA-N	317.389	3.209	10	20	DGCD	
CC(C)C[C@@](C)(CNCc1ccc2c(c1)CCCO2)C(=O)O	900053887	MWOLHDLHDGIGEP-SFHVURJKSA-N	305.418	3.238	10	20	DGCD	
Cn1cnc(/C=C/C(=O)N2CCCc3cccc(Cl)c32)c1	903051931	CDQLWFFEBSGQMM-BQYQJAHWSA-N	301.777	3.066	10	20	DGCD	
Cc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)c(C)n1C(C)C	910370736	KDQCNKGILJDGRN-UHFFFAOYSA-N	316.357	3.342	10	20	DGCD	
C/C=C(\C)C(=O)N1CCC(NCc2ccc(OC)c(C)c2)CC1	990878984	AKYCWHAOWIMXME-LHHJGKSTSA-N	316.445	3.050	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1	1319381922	WAFRYAOZJAPPKZ-INIZCTEOSA-N	314.429	3.090	10	20	DGCD	
CCOc1cccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1O	1341570208	VSXMRHRWPNEUQJ-UHFFFAOYSA-N	314.341	3.215	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(F)c(OC)c2)c1	1346197770	XWKPQARKKRNTHC-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](c1nncn1C)C(C)C	1353932187	GXVYTGFVVAFUKS-XNJGSVPQSA-N	314.433	3.364	10	20	DGCD	
CCOc1ccc(N(CC)Cc2ccccc2-c2nn[nH]n2)cc1	1590837007	GIXFEOCFWBKTJB-UHFFFAOYSA-N	323.400	3.292	10	20	DGCD	
CCCOc1ccc(CNCc2occc2C(=O)O)cc1C	1776821740	POZKTBCXWMODCR-UHFFFAOYSA-N	303.358	3.365	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@]2(C(=O)O)CCC[C@H]2C)cc1	1776861169	JWIQEYORFKKQOR-KDOFPFPSSA-N	304.434	3.266	10	20	DGCD	
CN(C)c1ccc([C@@H](CNC(=O)C2CCCCC2)N(C)C)cc1	11025621	SQRZODWBNJBEQS-GOSISDBHSA-N	317.477	3.052	10	20	DGCD	
COc1ccc(F)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1	28495091	QZLCKIBKDZDPCD-UHFFFAOYSA-N	316.376	3.173	10	20	DGCD	
COc1cccc(CNc2cc3c(cc2Cl)OCO3)c1O	36970078	PVVGXINRDYQEGS-UHFFFAOYSA-N	307.733	3.395	10	20	DGCD	
CC[C@H](NC[C@H](C)COC)c1cc(Br)ccc1O	45656566	CRIDQSKPJSTKRC-GWCFXTLKSA-N	316.239	3.478	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1COc2ccccc21	113157465	UUYVORXXXKFMIQ-SFHVURJKSA-N	324.424	3.277	10	20	DGCD	
Cc1ccc(OCCC(=O)N(C)Cc2ccccc2O)c(C)c1	119986825	UNOGWEINURYHSE-UHFFFAOYSA-N	313.397	3.437	10	20	DGCD	
CN(CCc1ccccn1)Cc1cc(Br)ccc1O	120821763	OZVOUUDJKWKVTN-UHFFFAOYSA-N	321.218	3.224	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)cc1	122709442	FFXVDCNHARXUMP-UHFFFAOYSA-N	317.360	3.375	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)/C=C/c1ccnn1CC	134209131	OAGOGBRFCDWFNO-MDZDMXLPSA-N	313.401	3.061	10	20	DGCD	
COc1ccc(N2CCN(C(=O)CC3CCCC3)CC2)cc1F	177282791	PGHQGJYWRSAEGU-UHFFFAOYSA-N	320.408	3.063	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2ccc(OC)c(C)c2)c1	179960166	HVSXSBDJVMXSFW-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(NC(C)=O)cc2)cc1F	180774254	NHHYUHAUTVGUEL-UHFFFAOYSA-N	302.349	3.429	10	20	DGCD	
Cc1cc(C)c(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c1	180913647	KDAVZUDRXXVUPK-FNORWQNLSA-N	311.381	3.353	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCCOC(C)C)cc1	182212691	SFUUIUGXAQARMN-UHFFFAOYSA-N	306.450	3.354	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2ccccc2OC)c1	182433537	JRJULQKTNXVOCI-ZDUSSCGKSA-N	317.385	3.139	10	20	DGCD	
COC(=O)CC(C)(C)NCc1ccc(N2CCCCC2)cc1	237135221	XSXBQGAZPDJWPV-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
COCCCN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	247821347	DEASEJVVPPGTLG-UHFFFAOYSA-N	318.392	3.342	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2cccc(F)c2)c1	255868056	OYVMKAMKKBGULV-OJIASSBASA-N	315.344	3.431	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H](CO)Cc2ccc(F)cc2)c(O)c1	273513182	SEFOJZSQEYRDAD-CJNGLKHVSA-N	303.377	3.094	10	20	DGCD	
C[C@H](N[C@H](C)Cc1ccc(O)cc1)c1cc([N+](=O)[O-])ccc1O	273552650	GFPUKLYTUZCTDY-NEPJUHHUSA-N	316.357	3.288	10	20	DGCD	
COc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CCO2	274291842	ZCVVZCFDYDBPKF-KRWDZBQOSA-N	311.381	3.244	10	20	DGCD	
CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1ccccc1O	282958158	ZSGNTUQBELDWRP-UHFFFAOYSA-N	323.396	3.154	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCc2cncn2C)c1O	289978365	XUQZXRFHESLYIL-SNVBAGLBSA-N	324.222	3.047	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(Cl)nc(N)n2)cc1F	301214794	XSJBSBVJMQOWDK-UHFFFAOYSA-N	323.803	3.310	10	20	DGCD	
COC(=O)[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1	324470248	ARALYRCMXYZFQU-LJQANCHMSA-N	324.424	3.291	10	20	DGCD	
CCC[C@H](CNCc1ccc(Br)cc1O)OCC	705394686	SWFMFKULSAZDDT-CYBMUJFWSA-N	316.239	3.450	10	20	DGCD	
Oc1cccc(Br)c1CN[C@@H]1CCC(F)(F)C1	706807673	CLHAAVFOBZZBHC-MRVPVSSYSA-N	306.150	3.432	10	20	DGCD	
CCOC(C)(C)CNCc1c(O)cccc1Br	706874950	BLNXPEKFNHJMNM-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
CC(F)(F)CCNCc1cc(Br)cc(F)c1O	715804691	RAKSNQGQMWJWNZ-UHFFFAOYSA-N	312.129	3.429	10	20	DGCD	
O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc(O)cs1	731863744	CKCRSARUWYZDMY-UHFFFAOYSA-N	315.316	3.445	10	20	DGCD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccccc1O	735754725	AFGYNHCHFOLFME-GOEBONIOSA-N	320.433	3.033	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)[C@@H](C)C(=O)OC(C)(C)C	738877043	NZEKHLGLVQWTJJ-AWEZNQCLSA-N	306.450	3.305	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1	739922929	RSVZDVCWKJKEEH-GASCZTMLSA-N	304.434	3.026	10	20	DGCD	
Cc1ccc(C(=O)Nc2cc(C3CCCC3)[nH]n2)c(O)c1O	751537775	ILLXQYPKMBZSNU-UHFFFAOYSA-N	301.346	3.039	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCO1)c1cc(Br)c(F)cc1O	756354388	AAWFCEJQEUXFDM-BDAKNGLRSA-N	318.186	3.123	10	20	DGCD	
Oc1c(Br)cccc1CN[C@H]1CCCc2c[nH]nc21	765283003	YEEQQFNCCGKONQ-LBPRGKRZSA-N	322.206	3.045	10	20	DGCD	
CC[C@@H]1CCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	765287480	QBJFQPUBHUHTRW-CRAIPNDOSA-N	320.452	3.455	10	20	DGCD	
C[C@H](CCC1CC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1	768965435	DTLXHGKQFHDEKQ-CQSZACIVSA-N	303.450	3.473	10	20	DGCD	
COc1cccc(O)c1CNc1ccc(OCC(C)(C)O)cc1	770578615	FASDABQCEAHEQM-UHFFFAOYSA-N	317.385	3.163	10	20	DGCD	
O=C(c1cc(O)cs1)N1Cc2cccc(Br)c2C1	771742943	HWTXRQXLDVZAKV-UHFFFAOYSA-N	324.199	3.372	10	20	DGCD	
CC(C)n1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	772997290	FXWCYTKUWYQXFZ-CYBMUJFWSA-N	300.406	3.021	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(O)cc1)c1ccc(N(C)C)cc1	773627459	XVHDFYIGDDTZNS-ZDUSSCGKSA-N	313.401	3.019	10	20	DGCD	
Oc1c(Br)cccc1CNC[C@@H]1C[C@H]2C=C[C@H]1C2	775147514	UPZKFBHGSZZIES-GVXVVHGQSA-N	308.219	3.457	10	20	DGCD	
CC(C)[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	777968041	KZFIXUPPVSHYDM-INIZCTEOSA-N	307.434	3.252	10	20	DGCD	
CCCCC[C@@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1	783904125	UXYIGGCSWDAFJH-GFCCVEGCSA-N	308.374	3.430	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H](C)CCCC(C)C)c(O)c1	792777872	OAERVVQEQKNXMU-ZDUSSCGKSA-N	308.422	3.415	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC[C@H](C)C1	793023992	IIXYKNCKLWMBBP-ZFWWWQNUSA-N	303.450	3.296	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@](O)(C(F)(F)F)CC2)c1	795715718	DWVILKPXIDRVPU-OAHLLOKOSA-N	317.351	3.288	10	20	DGCD	
c1ccc(CN2CCc3cc(CNC[C@H]4CCOC4)ccc32)cc1	796263368	JHWNKNVVQFYCCB-LJQANCHMSA-N	322.452	3.375	10	20	DGCD	
COc1cc(CN2CCOc3cccc(F)c3C2)c(O)cc1C	800855817	OJQVKCKDKLEIQQ-UHFFFAOYSA-N	317.360	3.243	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cn(C)nc1CC	801548191	PKSKWCYDFRQDFV-UHFFFAOYSA-N	315.417	3.131	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(C)=O)cc1	808094423	NYLQZYDHFHDVOK-UHFFFAOYSA-N	318.369	3.011	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCCCC(=O)C1	813385932	BTLJHSMQQAMOGD-INIZCTEOSA-N	316.445	3.251	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@](C)(O)C2CCC2)cc1	813389059	RPZRGGPYLWYJRP-LJQANCHMSA-N	318.461	3.042	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(F)(F)C(F)F	813684160	LDLWNKZHVZPLAG-UHFFFAOYSA-N	320.069	3.216	10	20	DGCD	
CN(CCNCc1cc(Cl)c(F)cc1O)Cc1ccccc1	816538213	JHXIBRGFMKNEJZ-UHFFFAOYSA-N	322.811	3.406	10	20	DGCD	
Cc1cc(CN2CCOC[C@@H](C)C2)ccc1N1CCCCC1	828487533	IVFHNGZDGHQRRO-INIZCTEOSA-N	302.462	3.454	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCS[C@@H]1C	828541439	IBOJLCDINJTQOZ-TZMCWYRMSA-N	308.447	3.208	10	20	DGCD	
CO[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(Br)cc1O	834886864	PHSAPYMMIZZNMI-MRCXROJRSA-N	314.223	3.373	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1	836237117	WILXXKWPNUWSQE-ZWKOTPCHSA-N	313.445	3.083	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1scnc1C	839915623	IQBCPHRZWKVEAK-LBPRGKRZSA-N	317.458	3.187	10	20	DGCD	
CCC1(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1	840486253	YYHBQRJTUPKXMG-AWEZNQCLSA-N	303.450	3.234	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2[C@H]2CCCOC2)c(O)cc1C	842613588	CXLUGZLLEHOIGS-GOEBONIOSA-N	305.418	3.100	10	20	DGCD	
CCc1ccc([C@@H](O)CN[C@H](C)c2cccc(OC)c2O)cc1	846170961	NPIKYIJHPVXYCA-DYVFJYSZSA-N	315.413	3.347	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](CO)CC2CCCCC2)c1O	846171160	DUPIAPXUEUZNBC-ZFWWWQNUSA-N	307.434	3.383	10	20	DGCD	
CCOc1cccc(CNCc2c(OC)cccc2OC)c1O	850355661	KYSPSXXWGPBBTC-UHFFFAOYSA-N	317.385	3.098	10	20	DGCD	
CO[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)C1CCCC1	850561053	HNZOKGAMBSUWAN-BDJLRTHQSA-N	308.378	3.156	10	20	DGCD	
Cc1ccc([C@H](C)NCC(C)(C)[C@]2(O)CCCOC2)c(O)c1C	850562647	OTAXNBULJGMMGH-KXBFYZLASA-N	321.461	3.227	10	20	DGCD	
CCCOc1ccc(CNCc2nc(C(=O)O)cs2)cc1C	871877856	WNPVHVBAAWIXDY-UHFFFAOYSA-N	320.414	3.228	10	20	DGCD	
Cc1ccc(CN2CCC[C@H](c3nnc4ccccn34)C2)c(O)c1	876552338	RJAHELBWDCBQMD-INIZCTEOSA-N	322.412	3.123	10	20	DGCD	
Nc1ccc(OCc2cn(CC3CCCCCC3)nn2)cc1	881316477	CQHVOOUGKVZTMQ-UHFFFAOYSA-N	300.406	3.410	10	20	DGCD	
CC[C@H](CC(F)F)Cn1cc(COc2ccc(N)cc2)nn1	881384905	HPDHTBHZBJYERL-LLVKDONJSA-N	310.348	3.121	10	20	DGCD	
CC(C)[C@@H](CN[C@H](C)c1c(O)cccc1F)c1ccnn1C	886599313	WDUVWGNIUVACRC-CHWSQXEVSA-N	305.397	3.355	10	20	DGCD	
COc1ccc(CN[C@@H]2CSc3ccccc32)c(O)c1OC	892992831	ZNMFTSHMAGWVSY-CYBMUJFWSA-N	317.410	3.346	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC(Nc2ccccn2)CC1	896194588	DSGGUTLCRUMCOM-UHFFFAOYSA-N	301.365	3.003	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC(F)(F)F)cc1	912905596	WUKLJFAQXJZGAD-UHFFFAOYSA-N	302.340	3.444	10	20	DGCD	
CCN1CCC[C@H](CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)C1	1116565793	XDISXFBNVGBZRE-GUTXKFCHSA-N	306.425	3.401	10	20	DGCD	
COC(=O)CC(C)(C)N(C)Cc1ccc(N2CCCC2)cc1	1320508702	GTXFITOUKWEXJO-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC2)cc1	1323606064	VZVCXHMTRSFBHK-HOTGVXAUSA-N	318.461	3.416	10	20	DGCD	
CCN(CC)c1ccc(CNc2ncc(C(=O)O)s2)cc1F	1776861431	DOFKRGCZVICNGA-UHFFFAOYSA-N	323.393	3.439	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@H](C)C2CC2)cc1	80069747	LLVYBTXGSLEHOF-CQSZACIVSA-N	303.450	3.473	10	20	DGCD	
CCc1ncc(C(=O)NCc2ccc(N(CC)CC)cc2)s1	148117317	ILNXXLHCRXJHLA-UHFFFAOYSA-N	317.458	3.482	10	20	DGCD	
C[C@@H](NCCc1cccs1)c1ccc(N2CCOCC2)cc1	155563268	YVZBKWFBBCUIHM-OAHLLOKOSA-N	316.470	3.478	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@@H]2c2cccn2C)cc1OC	179598497	SBCMQCHAARZWGO-OAHLLOKOSA-N	316.401	3.085	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1ccccc1O	184566246	GZRJKJKJPJPILI-YOEHRIQHSA-N	305.418	3.336	10	20	DGCD	
Cc1ccc(O)c(CN(Cc2ccccc2)[C@@H](CO)C2CC2)c1	184789103	YLTAHMAMOOHOTE-IBGZPJMESA-N	311.425	3.474	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2cccnc2-n2cccn2)c(O)c1	184988850	VHGJXIJJHDAYKI-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
C[C@H](NC[C@H](C)N(C)C1CC1)c1cc2c(cc1O)CCCC2	185369039	RLJCZZGMEDDYOI-KBPBESRZSA-N	302.462	3.404	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)[C@@H](c1ccccc1)N(C)C	185678821	VOVAQOYIVXMHTK-YWZLYKJASA-N	310.441	3.403	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NC[C@@H]2CCCO2)c1O	186919307	NPAOWVWPSMTAEQ-JQWIXIFHSA-N	314.223	3.293	10	20	DGCD	
C[C@H](NC[C@H]1CSCCS1)c1ccc(F)c(F)c1O	187752777	XCRRPUDTBBABCZ-IUCAKERBSA-N	305.415	3.170	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](c2ccccc2)N(C)C)c1	192907324	XXCJFDVYYAQHHO-KDOFPFPSSA-N	314.429	3.354	10	20	DGCD	
COc1ccccc1CN(C)Cc1cc(F)cc(C(C)=O)c1O	194805036	HAJIQRMVNDKJJQ-UHFFFAOYSA-N	317.360	3.375	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](C)CNC(=O)OC(C)(C)C)c1	227686797	JZIKRHSPFKMVSO-QWHCGFSZSA-N	308.422	3.264	10	20	DGCD	
Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H](C)CO1	237706728	VFANOJLCGLOJAE-KXBFYZLASA-N	324.424	3.108	10	20	DGCD	
Nc1ccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)cc1	238116110	BFGIEEHPHNVRRR-UHFFFAOYSA-N	308.303	3.147	10	20	DGCD	
CCn1cc(N2C(=O)/C(=C\c3cccs3)SC2=S)cn1	255306166	JVZVGIPTOUCSAU-IZZDOVSWSA-N	321.452	3.370	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c(O)c1	273481198	MBKJQBDLDFIWMX-YJBOKZPZSA-N	324.424	3.152	10	20	DGCD	
Cc1nccn1CCN[C@@H](C)c1ccc(Br)cc1O	273564543	JBFATDUBZMAUSR-JTQLQIEISA-N	324.222	3.010	10	20	DGCD	
CC(C)[C@@H](CCO)N[C@@H](C)c1ccc(Br)cc1O	273596458	QVLUVGGHOCANBF-GXFFZTMASA-N	316.239	3.212	10	20	DGCD	
CC(C)OC1CC(NCc2cccc(Br)c2O)C1	274411921	DSFHFGZUFWOAPN-UHFFFAOYSA-N	314.223	3.200	10	20	DGCD	
CC[C@@H](NCCCN(C)CCOC)c1cccc(Cl)c1O	287899367	ZMPVTFBDSGDCPZ-OAHLLOKOSA-N	314.857	3.055	10	20	DGCD	
CS[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1	295561760	NUNFXFPSCXCZAK-AWEZNQCLSA-N	315.442	3.067	10	20	DGCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)c1ccc([S@@](C)=O)cc1	296687921	HABPPUIKYWXPSW-KFVPTDEHSA-N	315.438	3.468	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@]2(C)CCO[C@@H]2C2CC2)c1	364068496	SQHBRQOVTNJMOE-MSOLQXFVSA-N	305.418	3.086	10	20	DGCD	
COCCC(C)(C)CNCc1ccc(Br)cc1O	691487700	HTPUUDYIRRIIHF-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
COC[C@@H](NCc1cc(Br)cc(F)c1O)C(C)C	715745216	OZSTXWUOPYQCIY-GFCCVEGCSA-N	320.202	3.054	10	20	DGCD	
COc1cccc(CNC(=O)c2c[nH]cc2-c2ccccc2)c1O	729859215	MMZWUPZDZLDQIN-UHFFFAOYSA-N	322.364	3.326	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CC2(C)C)cc1	732823437	UJIZWQOLOQKCCT-OAHLLOKOSA-N	303.450	3.378	10	20	DGCD	
C[C@H](NC[C@@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1O	756378873	JFSOPXCLUUXPPL-GWCFXTLKSA-N	305.324	3.325	10	20	DGCD	
Cc1ccncc1[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756674935	DOHVXYLZDKJKSN-VXGBXAGGSA-N	301.346	3.416	10	20	DGCD	
C[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C	769556508	MDRBAAVUNHFCPD-MRVPVSSYSA-N	303.761	3.005	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1	773013289	KANPXLUUIUDCHJ-YOEHRIQHSA-N	324.424	3.181	10	20	DGCD	
C[C@@H]1CC[C@H](CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)O1	773019480	MBVQLWBVRSATIY-CKEIUWERSA-N	304.434	3.278	10	20	DGCD	
CC[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)N(CC)CC	775406611	YUIHIYMDNOBKQU-PBHICJAKSA-N	305.466	3.050	10	20	DGCD	
CC[C@@H](N[C@H](C)CN1CCCC1=O)c1cc(Cl)ccc1O	775491290	HQHFFXBCJOBNRS-BXUZGUMPSA-N	310.825	3.097	10	20	DGCD	
CC[C@H](N[C@H]1CCc2c[nH]nc2C1)c1cc(Cl)ccc1O	775513252	OXYMZPRANKHPLS-JSGCOSHPSA-N	305.809	3.367	10	20	DGCD	
c1cc(N2CCSCC2)ccc1CNC[C@H]1CCSC1	785426722	RNACQLMBRRCDDI-OAHLLOKOSA-N	308.516	3.083	10	20	DGCD	
C[C@@H](NCCCCO)c1cc(Br)cc(Cl)c1O	786940957	MAMKKEUNRKFILQ-MRVPVSSYSA-N	322.630	3.231	10	20	DGCD	
C[C@@H](NC[C@@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1O	790495872	CZEMILOMOBHVDA-ABAIWWIYSA-N	312.404	3.441	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC[C@@H](C)C1	793023990	IIXYKNCKLWMBBP-UKRRQHHQSA-N	303.450	3.296	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1C[C@H](c2ccccc2)C1	798023155	HTDVFBIFSBXYBE-RNEQHYDGSA-N	309.365	3.173	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cccnc2)c1O	805746601	CCMNHHIICUMWSU-KRWDZBQOSA-N	314.360	3.466	10	20	DGCD	
CC[C@H](N[C@@H]1CCn2ccnc2C1)c1cccc(Cl)c1O	806159997	DAOMWNQNGNLLSG-RISCZKNCSA-N	305.809	3.298	10	20	DGCD	
CC[C@@H](C)NC(=S)NCc1cc(Cl)cc(Cl)c1O	806598315	HTKRBLSDOOOEGV-SSDOTTSWSA-N	307.246	3.462	10	20	DGCD	
C[C@@H](NC(=O)C(C)(C)C1CC1)c1ccc(N2CCOCC2)cc1	806613999	HCNNBHQLZAZCEP-CQSZACIVSA-N	316.445	3.137	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNCc2c(F)cc(F)cc2F)c1	815152681	YGAHORJXZCTOKI-UHFFFAOYSA-N	312.247	3.008	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3scnc3C)C2)cc1	818221386	LULADVRQGVXUPV-CQSZACIVSA-N	317.458	3.076	10	20	DGCD	
CCN(Cc1cc(Cl)c(C)cc1O)C[C@H](O)C(F)(F)F	825561709	GIKYTVNMMLTFJA-LBPRGKRZSA-N	311.731	3.099	10	20	DGCD	
CC[C@@H]1CN(C(=O)/C=C(/C)c2cnccn2)c2ccccc2O1	826559232	IJFUMAPCYRDXRK-QLKUMGTLSA-N	309.369	3.084	10	20	DGCD	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N[C@H](C)c1ccccc1O	827937219	OYRSUZGSENLSFC-KSMMKXTCSA-N	313.397	3.124	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1O	828554959	INVVUMKCAGJONS-MJGOQNOKSA-N	302.462	3.188	10	20	DGCD	
CC[C@H](NC[C@@H]1CCOC[C@H]1OC)c1cccc(Cl)c1O	834880702	OEARSWVGDCYVLJ-TUKIKUTGSA-N	313.825	3.138	10	20	DGCD	
CC[C@@H](NCCc1cnc(C)cn1)c1cccc(Cl)c1O	834910711	YFIQRZPVHWTESC-OAHLLOKOSA-N	305.809	3.427	10	20	DGCD	
COc1cccc(CN[C@H](C)CCCc2cccnc2)c1O	839150964	PEBSRNOZRBBBHR-CQSZACIVSA-N	300.402	3.297	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@H]1C1CC1	840491141	NWOCFMIQWKMGON-PWIQMMQFSA-N	301.386	3.054	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](C)C(=O)OC(C)(C)C)c1	848563861	XZNACCVYHBULSJ-RYUDHWBXSA-N	309.406	3.029	10	20	DGCD	
CCc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O	848883289	LOXXPPQPLWPGDL-HNNXBMFYSA-N	320.433	3.054	10	20	DGCD	
CCOc1ccc(CN[C@H]2CCN(C3CCCCC3)C2)c(O)c1	850381452	FRENQPSHKAVLLX-INIZCTEOSA-N	318.461	3.288	10	20	DGCD	
CCn1nccc1CN[C@H](C)c1cccc(C(F)(F)F)c1O	853239867	JQEDYMDHZLYXHS-SNVBAGLBSA-N	313.323	3.478	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H](n3ccnc3)C2)cc1F	862238194	PKBKPYPEEFAPRN-CQSZACIVSA-N	320.387	3.064	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1nnc([C@H]2CCCO2)s1	865295880	OHXFZNJUULRYLD-CQSZACIVSA-N	318.446	3.376	10	20	DGCD	
CC[C@H](N[C@H](C)[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1O	866463916	QGKVOQONCOGANG-INNHCVQGSA-N	311.731	3.398	10	20	DGCD	
Cc1ncc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2O)s1	868934935	YOUYOLZXWRANNF-NXEZZACHSA-N	305.403	3.279	10	20	DGCD	
Cc1cc(O)c([C@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1Cl	877861316	YXBFIRSDEUYDFL-CQSZACIVSA-N	324.714	3.486	10	20	DGCD	
c1nc2ccc(NCc3ccc(N4CCCCC4)cc3)cn2n1	883410212	RFCXHIRSHZWBLM-UHFFFAOYSA-N	307.401	3.332	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(=O)CC[C@@H]1C	885095719	SQBVSPAXVVUECS-NSHDSACASA-N	316.426	3.349	10	20	DGCD	
C[C@H](NC[C@H](CO)c1ccc(F)cc1)c1c(O)cccc1F	886626491	CXFKMKUVARQCMG-WCQYABFASA-N	307.340	3.097	10	20	DGCD	
C[C@H](N[C@H](CCO)c1ccccc1F)c1c(O)cccc1F	886630310	ZNLQOIUMQPZPQV-XHDPSFHLSA-N	307.340	3.445	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@H](C)N(C(=O)CC(C)C)C2)cc1C	987836345	SLSRECVWMCMZSR-DOTOQJQBSA-N	318.461	3.129	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCC[C@@H](C)C1)c1ccc(F)cc1O	1117140076	YXLVUPTVDQCHMP-CZUORRHYSA-N	322.424	3.221	10	20	DGCD	
CCn1c([C@H](C)SC)nnc1N(C)Cc1ccccc1O	1121735005	WBBLJNRWVDHIPJ-NSHDSACASA-N	306.435	3.064	10	20	DGCD	
O=C(CCCc1ccccn1)Nc1c(Cl)ccc2nonc12	1261140040	GIKFLXAGKOLQFX-UHFFFAOYSA-N	316.748	3.233	10	20	DGCD	
O=[N+]([O-])c1ccc2c(c1)CN(Cc1c(O)cccc1Cl)C2	1319948724	QUEUGGHLYGJNLP-UHFFFAOYSA-N	304.733	3.470	10	20	DGCD	
CC1(C)CC[C@H](CO)N(Cc2ccc(N3CCCC3)cc2)C1	1333782303	UYXZXJKUEPZFMV-GOSISDBHSA-N	302.462	3.270	10	20	DGCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@]12CCC[C@@H]1C2	1334830071	WUKCEYZZVXLTKX-CRAIPNDOSA-N	316.470	3.046	10	20	DGCD	
O=C(O[C@@H](C(=O)O)c1ccccc1Cl)c1cc(O)cs1	1602601765	BAGDVMMNDVYMMZ-LLVKDONJSA-N	312.730	3.090	10	20	DGCD	
CCN(C)c1ccc(CNC(C)(C)C[C@H](C)C(=O)O)c(C)c1	1776857136	QZVJFIXHROMBII-AWEZNQCLSA-N	306.450	3.430	10	20	DGCD	
CCN1CCCc2cc(CNCc3ccc(C(=O)O)cc3)ccc21	1776875580	HOAQFHZETNTXKA-UHFFFAOYSA-N	324.424	3.447	10	20	DGCD	
Cc1cccc(OCCCNC(=O)CSc2nccs2)c1	55069227	DUGNQZACXHOTBC-UHFFFAOYSA-N	322.455	3.129	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(F)c1	60678849	WCBWKBUMBIDIAM-UHFFFAOYSA-N	300.377	3.093	10	20	DGCD	
CC[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1	90178140	BHBJBERRFMVIRM-NVXWUHKLSA-N	317.477	3.193	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)C[C@H]3CCCOC3)c2c1	107671971	FLOIEFJFLDALKZ-CQSZACIVSA-N	315.413	3.412	10	20	DGCD	
CSCC[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	120562443	PANCWXCUYGVFPE-GFCCVEGCSA-N	317.458	3.361	10	20	DGCD	
CCNC(=O)c1ccc(C)c(NCc2cccc(OC)c2O)c1	122516566	TVJFPCBGLKECIC-UHFFFAOYSA-N	314.385	3.071	10	20	DGCD	
COCCOC[C@@H]1CCN(Cc2c(O)ccc3ccccc23)C1	173390807	ZWKAMWXZHVFJKD-OAHLLOKOSA-N	315.413	3.030	10	20	DGCD	
CN(Cc1cccc(Cl)c1O)[C@H]1CCCc2c1cnn2C	180640963	BRSMTQTYQLGGPA-AWEZNQCLSA-N	305.809	3.289	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](C)c2cccc(O)c2)c1O	181580828	WAKQCEQQTPAMHG-SNVBAGLBSA-N	303.333	3.290	10	20	DGCD	
COc1cc(O)c(CNCCc2ccc(F)c(F)c2)cc1OC	191496297	IRDPRCDTDFOIDL-UHFFFAOYSA-N	323.339	3.020	10	20	DGCD	
C=Cn1cc(CN(Cc2ccco2)Cc2ccccc2O)cn1	193576900	DLVVHFQEMQHAOZ-UHFFFAOYSA-N	309.369	3.485	10	20	DGCD	
COCCS(=O)(=O)Nc1ccc(N=Nc2ccccc2)cc1	255780158	YOCSXAFMHUMKEW-UHFFFAOYSA-N	319.386	3.490	10	20	DGCD	
C/C=C(\C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	267544737	BQEZRPPCMXXLOB-KDHQJITESA-N	320.408	3.022	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)c2nccs2)c1	273395232	FHNIXYAUVATNLF-QWRGUYRKSA-N	320.414	3.090	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CCCC(F)(F)C2)c1	282076342	QXHZESUOEMOUSN-SNVBAGLBSA-N	300.305	3.216	10	20	DGCD	
CCC[C@]1(CO)CCN(Cc2cc(Cl)cc(OC)c2O)C1	290232685	SZWGKXFSAWWXLR-INIZCTEOSA-N	313.825	3.039	10	20	DGCD	
CCn1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1	294610058	VZWVGOHIOMDCDU-UHFFFAOYSA-N	315.465	3.083	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](O)CC2)cc1	294667801	FFMLMSLQTOACOT-SFHVURJKSA-N	312.413	3.081	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CCN(c3ccccc3F)C1)CC2	297388442	RPBTXZFQGYAODD-GDBMZVCRSA-N	312.388	3.387	10	20	DGCD	
CCN(CC)C(=O)CN[C@H](C)c1ccc2ccccc2c1O	318038049	RJOYPYMMTNBHRB-CYBMUJFWSA-N	300.402	3.064	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1	363859961	SVYLAVFDNZMQOT-AADNMHCOSA-N	305.418	3.255	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@@H](N3CCCC3)C[C@H]2C)c1O	368043823	QDXOWTXZNOJXMU-DOMZBBRYSA-N	324.852	3.113	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@@H](N3CCCC3)C[C@@H]2C)c1O	368043826	QDXOWTXZNOJXMU-WFASDCNBSA-N	324.852	3.113	10	20	DGCD	
C[C@H](NC[C@@H]1OCCc2ccccc21)c1cc(F)ccc1O	371869752	KEVJZJSOSWXRIO-SGTLLEGYSA-N	301.361	3.496	10	20	DGCD	
Cc1c(CNC(=O)N[C@H]2CS[C@H](C)C2)n(C)c2ccccc12	413508515	URFUQHKUBASSGL-DGCLKSJQSA-N	317.458	3.180	10	20	DGCD	
CC[C@@]1(C)COCCN1Cc1ccc(Br)cc1O	707691501	QZUWPTHICNYMIQ-AWEZNQCLSA-N	314.223	3.156	10	20	DGCD	
O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(O)cs1	734896769	RRCAPYCEMKCHIB-UHFFFAOYSA-N	313.718	3.372	10	20	DGCD	
C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	746718436	GTLQCNLCAAKVSK-WFASDCNBSA-N	307.413	3.270	10	20	DGCD	
CC[C@H](C)OCC(=O)NCc1ccc(N2CCCCC2)cc1	751753573	FIVOLCIZDRZCSI-HNNXBMFYSA-N	304.434	3.108	10	20	DGCD	
CCc1nc(C(=O)NCc2ccc(N(CC)CC)cc2)co1	753671648	CWECLKYCDCWYCQ-UHFFFAOYSA-N	301.390	3.013	10	20	DGCD	
C[C@@H](NCCc1cn2c(n1)CCCC2)c1cc(F)cc(F)c1O	756401550	ITAYGSSMCHUELV-LLVKDONJSA-N	321.371	3.097	10	20	DGCD	
C[C@H](NCc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1O	756673280	XVSUQYUHQNCMMQ-JTQLQIEISA-N	317.301	3.059	10	20	DGCD	
CO[C@H](CN[C@H](C)c1cc2c(cc1O)CCCC2)C(F)(F)F	756835501	NJMZZDJXSVRUQT-MEBBXXQBSA-N	317.351	3.499	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(CC)nnc1C	759933358	VBYLBHODGPDUSS-UHFFFAOYSA-N	313.401	3.105	10	20	DGCD	
C[C@H](NC(=O)C(C)(C)c1cccnc1)c1ccc(N(C)C)cc1	775411974	SUNQADNRGYMPSG-AWEZNQCLSA-N	311.429	3.303	10	20	DGCD	
Cc1nc2ccc(NC(=O)c3cccc(O)c3O)cc2s1	776326501	INJWCXLDLBZZKU-UHFFFAOYSA-N	300.339	3.268	10	20	DGCD	
C[C@@H]1CCN2[C@@H](c3cc(-c4ccccc4)ccc3O)NC(=O)[C@H]2C1	777901502	YXWDROSLVMXRIN-XVSDVWIESA-N	322.408	3.288	10	20	DGCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](C)c1ccccc1	789991709	ZLQFTAXGJRYLHH-WDEREUQCSA-N	303.333	3.159	10	20	DGCD	
CCSCCCNC(=O)NCc1ccc(N(CC)CC)cc1	799886047	SQTKEGPGSCAMHO-UHFFFAOYSA-N	323.506	3.475	10	20	DGCD	
COc1ccc(CNC(=O)C(C2CCC2)C2CCC2)c(O)c1	803291978	FWOLLLXIAOQMHE-UHFFFAOYSA-N	303.402	3.233	10	20	DGCD	
CC[C@H](NCCOC[C@H]1CCCO1)c1cccc(Cl)c1O	806139910	SHJBMRTVBSBTEF-DOMZBBRYSA-N	313.825	3.282	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCN2CCSCC2)c1O	808695740	PKRYUDQJYDCVEB-LBPRGKRZSA-N	314.882	3.053	10	20	DGCD	
C[C@@H](NC[C@H]1COc2ccccc21)c1cc(F)cc(F)c1O	808727581	JJLNVZNBXKPGBU-MNOVXSKESA-N	305.324	3.497	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1N(C)C	815058783	TXBAZGASHWOQRG-QGZVFWFLSA-N	318.461	3.367	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@@H](c2cc[nH]n2)C1	816492784	CIASSGUAZLRDGS-SNVBAGLBSA-N	309.772	3.287	10	20	DGCD	
CCNCCCN[C@@H](CC)c1ccc(C(F)(F)F)cc1O	817943384	MJBDORJLRXMUNA-ZDUSSCGKSA-N	304.356	3.451	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@@H](C)c2cc(C)ccc2O)s1	818357296	YLMVHZQZPDLTQN-QWRGUYRKSA-N	320.414	3.356	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)C3CCC3)C2)cc1	819586528	ANANYYVWARXLAX-GJZGRUSLSA-N	316.445	3.074	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC(C)(C)c2cccnc2)c1	840892066	NDSVKFUGIMJRTL-ZDUSSCGKSA-N	300.402	3.424	10	20	DGCD	
COc1cccc([C@@H]2C[C@H]2CNCc2cc(OC)ccc2O)c1	840973511	OEBYRUADRYDKJM-KSSFIOAISA-N	313.397	3.303	10	20	DGCD	
CC[C@@H](NCc1ccc(N(C)Cc2cccs2)cc1)C(=O)O	843040657	WYRCLOVSLZQFEM-MRXNPFEDSA-N	318.442	3.337	10	20	DGCD	
CCOc1ccc(CN(CCCN)CC2CCCC2)c(O)c1	843123855	QNRUHYZBWOVERC-UHFFFAOYSA-N	306.450	3.132	10	20	DGCD	
Nc1ccc(Cc2noc(Cc3ccc4c(c3)CCCO4)n2)cc1	843160033	FFMLRIZYFHNVBI-UHFFFAOYSA-N	321.380	3.158	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)/C=C\C2CCCCC2)cc1	843296909	COPOXDPIYWTRIJ-RUEYPURISA-N	315.461	3.005	10	20	DGCD	
CSCC1(CC(=O)NCc2ccc(N3CCCC3)cc2)CC1	845193839	VNUAZAGQXNCWMP-UHFFFAOYSA-N	318.486	3.436	10	20	DGCD	
COc1ccc2c(c1)c1c(n2CC(=O)N2CC3(CC3)C2)CCCC1	846233140	ZBYLCWOXLKIRSJ-UHFFFAOYSA-N	324.424	3.151	10	20	DGCD	
CCc1cccc(CN[C@H]2CCO[C@@H](c3ccncc3)C2)c1O	848916698	WMAVIJQXLWHTBM-ZWKOTPCHSA-N	312.413	3.360	10	20	DGCD	
Cc1ccc(C(=O)N2CCOc3ccccc3[C@H]2C)c(O)c1O	856487082	OIESDIIYAORKRG-GFCCVEGCSA-N	313.353	3.002	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2CCC(=O)C2)c(C)n1-c1ccccc1	863163894	SLSVEIPPRGNESS-OAHLLOKOSA-N	310.397	3.080	10	20	DGCD	
NC(=O)c1ccc(F)c(NCc2c(O)ccc(Cl)c2F)c1	863997727	VRUYZYLPOCWHAE-UHFFFAOYSA-N	312.703	3.035	10	20	DGCD	
CCC[C@@H](CCO)NCc1cc(C)cc(Br)c1O	865663661	VODSEQMMWZXUFW-LBPRGKRZSA-N	316.239	3.104	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc(F)cc(F)c1O)CC1(C)OCCO1	866425263	KQZQORZATNWFNM-WDEREUQCSA-N	315.360	3.110	10	20	DGCD	
CCCOc1ccc(CNC[C@@H]2CCCN(C(C)=O)C2)cc1C	873117181	BYIZAQVEPAVQLN-SFHVURJKSA-N	318.461	3.132	10	20	DGCD	
COc1ccc(CNC2(C3CCC3)CC2)cc1Cn1cccn1	873133046	MVJIFKGNVKIYJE-UHFFFAOYSA-N	311.429	3.362	10	20	DGCD	
CC[C@H](C)n1ncc(NCc2ccc(OC)c(OC)c2O)c1C	893997647	QCMAXFPRXXPVEQ-NSHDSACASA-N	319.405	3.497	10	20	DGCD	
CCCSC[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1	895451536	ORIKAIMSMCGXIM-OAHLLOKOSA-N	322.518	3.269	10	20	DGCD	
COC(=O)C1CCC(NCc2ccc3ccccc3c2O)CC1	898611703	YCUYMZGORVFOPX-UHFFFAOYSA-N	313.397	3.367	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](c2ccncc2)C2CC2)c1	899000627	TWQCJXSTRZYLOP-QGZVFWFLSA-N	311.385	3.046	10	20	DGCD	
CC[C@@H](NCc1c(O)cccc1Br)[C@H]1CCCO1	1118858644	PDYCJPNZVARDMK-TZMCWYRMSA-N	314.223	3.202	10	20	DGCD	
C[C@@H]1[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1(F)F	1123781645	XQWCMNYESQCJSU-ANLVUFKYSA-N	310.127	3.216	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2C=CCCC2)cc1	1252860933	QXJRMHLGCZMISK-INIZCTEOSA-N	301.434	3.441	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1	1319381924	WAFRYAOZJAPPKZ-MRXNPFEDSA-N	314.429	3.090	10	20	DGCD	
Cc1ccc([C@@H](C)NCCC(=O)N2CCC[C@H](C)C2)c(O)c1C	1320132239	IYIXZYATUNYZMZ-XJKSGUPXSA-N	318.461	3.308	10	20	DGCD	
Cc1ccc([C@H](NCc2cc(F)c(F)cc2O)C(=O)O)cc1C	1607757086	OSLNWDLKVKMDEP-INIZCTEOSA-N	321.323	3.203	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccc(F)c(C(=O)O)c2)cc1F	1777038296	YAQHLOIOFOCXRI-UHFFFAOYSA-N	324.302	3.480	10	20	DGCD	
CS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1	117508150	KJWYQQBESOLTLN-ZIAGYGMSSA-N	308.447	3.208	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N[C@@H]1CCCC[C@@H]1C	27579245	LCAXKPWWBAKAFE-WMLDXEAASA-N	316.445	3.143	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(F)c(C)c2)c1	114577634	WNYSOCWDUODZSU-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccco2)cc1F	66906964	OZUPXPGEBSFKQV-UHFFFAOYSA-N	319.380	3.264	10	20	DGCD	
COc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1O	125939430	KLURMKOBJZXCFL-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2cnn(Cc3ccccn3)c2)c1	186390356	QARRPICVBNGYEX-CYBMUJFWSA-N	324.384	3.214	10	20	DGCD	
Cc1ccc([C@H](CNCc2cc(F)ccc2O)N2CCCC2)o1	180917979	NMDVSFAAQZCRCD-INIZCTEOSA-N	318.392	3.359	10	20	DGCD	
Cn1c(CCCNCc2cc(F)ccc2O)nc2ccccc21	180924046	VPHDDHOQVPVRLN-UHFFFAOYSA-N	313.376	3.140	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)cc2)cc1OC	32185807	UTNZGYRKLZJILR-UHFFFAOYSA-N	301.342	3.038	10	20	DGCD	
Cc1cccc(C)c1CCNC(=O)/C=C/c1ccc(O)c(O)c1	181218385	XNAZMQLMKBXLDU-VQHVLOKHSA-N	311.381	3.087	10	20	DGCD	
CC(C)N(C)C[C@H](C)NCc1ccc(N2CCCCC2)cc1	319650221	LCUOSBJYKRTWMF-KRWDZBQOSA-N	303.494	3.495	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCN2CCc3ccccc3C2)c1	184923655	VJSDDBJNYVZOMM-INIZCTEOSA-N	310.441	3.410	10	20	DGCD	
C[C@H](NCc1cccc(Br)c1O)c1cccnc1	42411779	WYVUQCLNZKUDAS-JTQLQIEISA-N	307.191	3.401	10	20	DGCD	
COCc1cc(N(C)Cc2ccccc2O)nc(C(C)(C)C)n1	89635735	OEVRTXQAYGEFOG-UHFFFAOYSA-N	315.417	3.263	10	20	DGCD	
COc1cc(Cl)cc(CN2CCS[C@H](C)CC2)c1O	190694414	OZERORJMUSUODX-SNVBAGLBSA-N	301.839	3.382	10	20	DGCD	
CN(CCc1cnn(C)c1)Cc1ccc(N2CCCCC2)cc1	265855232	QSINOEWOAWVTAV-UHFFFAOYSA-N	312.461	3.085	10	20	DGCD	
C[C@@H](NCC1CCSCC1)c1ccc(N2CCOCC2)cc1	268880197	LJFHGDSJJSMFLZ-OAHLLOKOSA-N	320.502	3.317	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCN(C)Cc2ccccc2)c1	185111452	FVDSHGSTAWKKTH-OAHLLOKOSA-N	314.429	3.183	10	20	DGCD	
CCOc1ccc(N(CC)Cc2nnc3n2CCCCC3)cc1	264192680	FSZQKXRPOGKGTQ-UHFFFAOYSA-N	314.433	3.430	10	20	DGCD	
Cc1nn(C)cc1CN(Cc1ccc(N(C)C)cc1)C(C)C	271050814	AHPGNLWAKAXERO-UHFFFAOYSA-N	300.450	3.205	10	20	DGCD	
CCc1ccnc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1	271716620	WTAVPBRTSCQEJY-UHFFFAOYSA-N	311.429	3.372	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](CCOC)c2ccco2)c1	272637026	YSGJLTBVKGMSDK-HNNXBMFYSA-N	305.374	3.251	10	20	DGCD	
CC[C@@H](NCCN1CCC1)c1cc(Cl)cc(Cl)c1O	806148201	DOBZXJHAKBFTBV-CYBMUJFWSA-N	303.233	3.445	10	20	DGCD	
COCCCCOC(=O)c1sc2nc(C)cc(C)c2c1N	803260818	URHVIOKLHSGZLB-UHFFFAOYSA-N	308.403	3.079	10	20	DGCD	
Cc1cc(C(=O)OCC[C@H]2CCOC2)c(C)n1-c1ccccn1	816442859	BKDPJMDJGJUSCP-OAHLLOKOSA-N	314.385	3.073	10	20	DGCD	
C[C@@H](NCc1ccc(CCN)cc1)c1cc(F)cc(F)c1O	817948362	IOYFFVKARAHELS-LLVKDONJSA-N	306.356	3.022	10	20	DGCD	
NC(=O)c1ccc(CN(Cc2ccccc2O)C2CCCC2)cc1	731846137	UICOJSGJGPJYGB-UHFFFAOYSA-N	324.424	3.436	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@](C)(C(=O)OC(C)(C)C)C2)c1	835071391	YBRYMYKGXNVIGO-SFHVURJKSA-N	305.418	3.254	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2C[C@H](OC)C23CCC3)c1O	839182840	QILNZRSRYKPBPO-KGLIPLIRSA-N	311.809	3.101	10	20	DGCD	
CN(CCN[C@@H]1CCc2cccc(O)c21)Cc1ccc(F)cc1	834616256	MSTSHDFQAWAIEQ-QGZVFWFLSA-N	314.404	3.240	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H](O)Cc2cccc(F)c2)c1	834828802	ZYDMKXFTEUBGKP-CJNGLKHVSA-N	303.377	3.094	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CC[C@H]1C2	914689449	CXQLUEOCSBRKIF-GRZALLJUSA-N	315.461	3.377	10	20	DGCD	
CO[C@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	749564376	YUQRAZAACDSBDI-OAHLLOKOSA-N	304.434	3.060	10	20	DGCD	
COc1cccc([C@H](C)NCc2cccc(NC(C)=O)c2)c1O	846139946	BWPXKSLTUNWGDL-LBPRGKRZSA-N	314.385	3.210	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CO[C@@H](C)C2)c(C)n1-c1ccc(F)cc1	844105230	IKNNUJSFSRWXNW-WFASDCNBSA-N	316.376	3.140	10	20	DGCD	
CCN(CC)C(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1O	756457989	SOOGGNXGWVCGQA-SECBINFHSA-N	319.232	3.218	10	20	DGCD	
COc1cc(CNCCCOC(F)F)c(O)c(C(C)(C)C)c1	850286855	KYTXGPXYOGNUOZ-UHFFFAOYSA-N	317.376	3.417	10	20	DGCD	
COc1cccc([C@@H](C)NCc2c(OC)cccc2OC)c1O	850505207	PCTOVJJYLHQFDU-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)cc2)o1	850565664	HEVXHHUPQBTFHM-HNNXBMFYSA-N	314.429	3.400	10	20	DGCD	
C[C@H](N[C@H]1CC[C@H](O)CC1)c1ccc(Br)cc1O	756770047	IRCCWEVUYUMXCE-DLOVCJGASA-N	314.223	3.109	10	20	DGCD	
FC(F)Oc1ccc2c(c1)CCCN2Cn1ccnc1S	766349998	CCOTVCXIQIGBHF-UHFFFAOYSA-N	311.357	3.184	10	20	DGCD	
Cc1ccc(-c2cc(C(=O)NCc3ccccc3O)n[nH]2)cc1	767925513	CFADHUGFTWYOPW-UHFFFAOYSA-N	307.353	3.021	10	20	DGCD	
CC[C@@H](NC[C@@H](CO)Cc1ccco1)c1ccc(N(C)C)cc1	768840612	GEYFIHMLWAIKQU-HNAYVOBHSA-N	316.445	3.238	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCC[C@H](C)C1)c1ccc(F)cc1O	1117140077	YXLVUPTVDQCHMP-XJKSGUPXSA-N	322.424	3.221	10	20	DGCD	
OC1CCN(c2ccc(CNc3ccccc3F)cc2)CC1	876831339	YEJJVQLTOSMYSU-UHFFFAOYSA-N	300.377	3.399	10	20	DGCD	
Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc2c(c1)CCO2	873036728	YLDCHXZREUIYRZ-UHFFFAOYSA-N	312.369	3.436	10	20	DGCD	
C[C@H](NC(=O)N(C)CCOC(C)(C)C)c1ccc(N(C)C)cc1	776238052	HWORAWAKEJMMCC-AWEZNQCLSA-N	321.465	3.270	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc3cnccc3c2)SC1=S	779220848	JHBGOLPTXLFCGA-MDWZMJQESA-N	300.408	3.456	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](C)C[C@H]2[C@H](C)O)c1O	785990242	ZXSUXVHEJCUVAE-MJVIPROJSA-N	313.825	3.036	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)C(C)(C)F)cc1C	1133477756	RHJGTOBPXINYIE-UONOGXRCSA-N	324.440	3.125	10	20	DGCD	
CCc1[nH]ccc1C(=O)NCc1ccc(N2CCCCC2)cc1	795768947	PVYSXPHHIWMNKK-UHFFFAOYSA-N	311.429	3.497	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3cnc(C)s3)CC2)cc1	1207062489	CMZLUVLXMJCKSR-UHFFFAOYSA-N	317.458	3.172	10	20	DGCD	
CCOc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1F	790069803	UTOGAAJZVRVLJI-UHFFFAOYSA-N	309.268	3.027	10	20	DGCD	
COc1ccc(O)c(CNC/C=C/c2ccc(F)c(F)c2)c1	796306940	GNSMEUDASCRWSX-NSCUHMNNSA-N	305.324	3.482	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl	793612063	IZIKSCIWSROINQ-KBPBESRZSA-N	316.228	3.417	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H]2CCOC[C@H]2C)cc1F	796497494	LOIWQBXJYDUQRM-ZBFHGGJFSA-N	308.441	3.434	10	20	DGCD	
CC[C@@H]1C[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1324140007	DRKCFNHRKPRTOW-DTWKUNHWSA-N	309.753	3.020	10	20	DGCD	
CCC1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1	1341567846	OQXFBCJHURPDIG-UHFFFAOYSA-N	319.468	3.200	10	20	DGCD	
C[C@@H](N[C@H](C(=O)O)c1ccsc1)c1ccc(N(C)C)cc1	1609778266	YKHCGBQDGBZDPJ-ABAIWWIYSA-N	304.415	3.291	10	20	DGCD	
CN(Cc1ccc2cnccc2c1)c1ccc(OCC(=O)O)cc1	1598524411	FJMVDDORLNPHAE-UHFFFAOYSA-N	322.364	3.335	10	20	DGCD	
CN1CCC(CN(C)Cc2cc3c(cc2O)CCCC3)CC1	160144759	LPANBCFHLFXSLD-UHFFFAOYSA-N	302.462	3.045	10	20	DGCD	
CO[C@H](C1CC1)[C@@H](C)NCc1ccc(Br)cc1O	701119994	WDMNQOLEHOSCBE-OTYXRUKQSA-N	314.223	3.058	10	20	DGCD	
Cc1cc(C(=O)COC(=O)[C@@H]2C[C@H]2C)c(C)n1-c1ccccc1	5405674	PFLWWVWOCULFLL-MLGOLLRUSA-N	311.381	3.476	10	20	DGCD	
COC(=O)c1ccc(CN2CCCc3cc(OC)ccc32)o1	27959746	ZRCIQDWANDIBMP-UHFFFAOYSA-N	301.342	3.028	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cc(F)cc(F)c2)cc1	53984471	JUMFXKMQKVLEMJ-UHFFFAOYSA-N	305.328	3.353	10	20	DGCD	
Cc1ccc(O)c(CNC[C@H](c2ccco2)N2CCCC2)c1	103855004	KCRGDHPHKLFOER-MRXNPFEDSA-N	300.402	3.220	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(CC(C)C)C1CC1	115854016	URMDCMMXLCBQQP-UHFFFAOYSA-N	303.450	3.391	10	20	DGCD	
CN(Cc1cscn1)Cc1cccc(Br)c1O	120238890	FTGPCTVAPIDNIA-UHFFFAOYSA-N	313.220	3.243	10	20	DGCD	
Cc1cnc(NC(=O)NCc2ccc(N3CC=CC3)cc2)s1	172592209	OAJGNVZCZLFOPD-UHFFFAOYSA-N	314.414	3.149	10	20	DGCD	
Cc1cnc([C@H](C)CNC(=O)N(C)Cc2ccccc2O)s1	183200538	JKIXEMWBEQWWMV-LLVKDONJSA-N	319.430	3.102	10	20	DGCD	
Cc1cc(Br)cc(CN(C)Cc2ccncc2)c1O	183737234	HYYINOWWDFDQEM-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCCN2CCCCCC2=O)c1	184867414	SSULEAFOWSBZFU-OAHLLOKOSA-N	304.434	3.144	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(F)c1	189435050	QFRGKENOGXTYDH-UHFFFAOYSA-N	313.325	3.034	10	20	DGCD	
COc1ccc([C@@H](NC(=O)Cc2ccc(N)cc2)C(C)C)cc1	237218104	QSPPTFGYVADLGA-IBGZPJMESA-N	312.413	3.333	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2ccc(N(C)C)nc2)cc1	268742018	DGDIIHNNSBBYHX-HNNXBMFYSA-N	312.461	3.455	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2CCO[C@@H](C(C)C)C2)c1O	273742793	LZNNNLBFGIQPKJ-ZIAGYGMSSA-N	313.825	3.347	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)c3ccn(C)n3)c2C)c1	274760529	IAMLMGJXBSFPRY-UHFFFAOYSA-N	322.412	3.413	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CCOC1	282362288	BMFFFIZVEFHGLD-OAHLLOKOSA-N	305.418	3.338	10	20	DGCD	
COc1cccc(N2CC[C@H](N[C@@H]3CCc4cccc(O)c43)C2)c1	296225457	AHJOOFWKVUMHTQ-MAUKXSAKSA-N	324.424	3.257	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])c1	301302480	VYKGOQQGNQMFKP-UHFFFAOYSA-N	316.313	3.124	10	20	DGCD	
CCN(Cc1cc(OC)ccc1O)C[C@H](O)c1ccc(C)cc1	305779367	NFPJMUAGDLKDTE-IBGZPJMESA-N	315.413	3.265	10	20	DGCD	
CC[C@H](N[C@@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1O	376861889	VKPWYYGIFNNLNK-RISCZKNCSA-N	305.809	3.367	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(C)CCN(C)CC2)cc1	388820053	BJNFMYMJAKKFEQ-UHFFFAOYSA-N	303.494	3.354	10	20	DGCD	
CCC[C@@H](CNCc1c(O)cccc1Br)OCC	706808068	OZZXYIJNUIJMKK-NSHDSACASA-N	316.239	3.450	10	20	DGCD	
CCOCc1cc(CNC[C@](C)(O)[C@H](C)CC)ccc1OC	732820987	RLTNMCKCTWINHT-KDOFPFPSSA-N	309.450	3.118	10	20	DGCD	
CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NCc1ccccc1O	735754727	AFGYNHCHFOLFME-ZBFHGGJFSA-N	320.433	3.033	10	20	DGCD	
CCc1csc(NC(=O)NCc2ccc(N(C)C)c(F)c2)n1	743224180	CCKMRYDHRLWPIH-UHFFFAOYSA-N	322.409	3.232	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)NCc2ccccc2)cc1	746159265	RFKYMDCXBBJNOQ-UHFFFAOYSA-N	312.413	3.228	10	20	DGCD	
C[C@@H]1CCCN(C[C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1	756459361	NUBAJRJCQPNBQC-MGPQQGTHSA-N	321.421	3.071	10	20	DGCD	
C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)c1cc(F)ccc1O	756712036	PDXRXTFFAZHRRL-DCGLDWPTSA-N	303.377	3.347	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1	763533063	YYADCPKSIFBOFW-RHSMWYFYSA-N	307.434	3.474	10	20	DGCD	
CCC(CC)CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773088245	NRVUPHAXQFPJCW-ZDUSSCGKSA-N	312.479	3.169	10	20	DGCD	
CC(C)N(Cc1ccc(N2CCN(C)CC2)cc1)CC1CC1	775656787	MQURUXWNWLQAMI-UHFFFAOYSA-N	301.478	3.059	10	20	DGCD	
COc1ncc(/C=C\C(=O)N2CCC[C@@H](C)c3ccccc32)cn1	775898442	WRKCHLNNWXYAFL-CFYYFVFUSA-N	323.396	3.429	10	20	DGCD	
COc1ccc(CNC(=O)NCc2ccccc2Cl)c(O)c1	792776338	DDDKTXRHEYZDQL-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cc(Cl)ccn2)cc1	794352932	GLUOMCSBPVUMES-UHFFFAOYSA-N	304.781	3.123	10	20	DGCD	
COc1cccc(OC)c1CNCc1ccc(N(C)C)cc1C	796309743	LAJCUFBYQRYRTK-UHFFFAOYSA-N	314.429	3.368	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccsc2)c1	802161883	UBXQNSKWWWGDAL-SNVBAGLBSA-N	306.387	3.023	10	20	DGCD	
CCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O	812040388	UGZRTXLTRBACKS-UHFFFAOYSA-N	300.406	3.298	10	20	DGCD	
C[C@H](N[C@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1O	815594762	XMWNUPAIEKBQCQ-TVQRCGJNSA-N	303.324	3.223	10	20	DGCD	
C[C@H](NC(=O)c1c[nH]nc1C(C)(C)C)c1ccc(N(C)C)cc1	816180415	OJIQELLZLOIAOS-LBPRGKRZSA-N	314.433	3.264	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC[C@@H]1CCOC1=O	817299130	VNKPZOOUJICHIT-GDBMZVCRSA-N	317.429	3.283	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@@H]2CCCC23CCCC3)cc1	817943312	UGXQBZACARFFNA-ZWKOTPCHSA-N	301.478	3.455	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3ccc(C)o3)C2)cc1	818222491	YCVBKTARIMVFQZ-HNNXBMFYSA-N	300.402	3.213	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C\[C@@H]1CCOC1	822653010	WPFMLFJJDBRBTH-CGQZWFTASA-N	316.445	3.082	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN[C@H](CO)C2CC2)cc1	823882896	SSBYILPJJYNBQD-GOSISDBHSA-N	316.470	3.245	10	20	DGCD	
CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC(=O)CC1	824983191	SLPUDIFRCOJZSM-UHFFFAOYSA-N	314.429	3.052	10	20	DGCD	
CCOc1ccc(CN2CCc3cccc(OC)c3C2)c(O)c1	824983300	TURGVFBZYDVFPF-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
COc1cc(CN(CCO)C2CCC2)c(O)c(C(C)(C)C)c1	825634114	IZCQTQVDGMFCEL-UHFFFAOYSA-N	307.434	3.045	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc([S@](C)=O)cc2)cc1Cl	825943544	GZPOFMYJXSLHAV-NRFANRHFSA-N	323.845	3.381	10	20	DGCD	
COCC(COC)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1	834893790	XMLXTBHWYDZWTG-CQSZACIVSA-N	324.440	3.128	10	20	DGCD	
CCO[C@H](CC)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	841141727	IUGNPNJLCUDSRY-CQSZACIVSA-N	324.384	3.150	10	20	DGCD	
C[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1O	841755554	JDQMVZJCEWUJBE-ABAIWWIYSA-N	323.795	3.439	10	20	DGCD	
CN(C)c1ccc(CN(Cc2cc3n(n2)CCCC3)C2CC2)cc1	844277600	DEJJNVVGABQIRG-UHFFFAOYSA-N	324.472	3.450	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](c2ccccc2)N(C)C)c1O	846135121	BJKMDNGNDKUQPH-PBHICJAKSA-N	314.429	3.354	10	20	DGCD	
CCCC[C@@H](C)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	886747190	NJOFUJQKCUDOIZ-OAHLLOKOSA-N	317.477	3.057	10	20	DGCD	
COc1ccc(CN[C@@H]2CCc3cc(C)ccc32)c(O)c1OC	892680650	QUXVXHOIYCPLNE-MRXNPFEDSA-N	313.397	3.495	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1O	894192387	BJWNVCYSUYXSSX-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C)C[C@@H]2C(=O)O)cc1	902015888	JPGRTQXODBQAEB-WMLDXEAASA-N	304.434	3.218	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cccc3[nH]ncc23)cc1	918624754	GOTKSRLYUXQLIM-UHFFFAOYSA-N	322.412	3.339	10	20	DGCD	
C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1	919896657	HODOCISTJIETSR-ZBFHGGJFSA-N	303.450	3.378	10	20	DGCD	
COc1ccc(CNCCCNC(=O)C2CC(C)(C)C2)cc1C	1157448083	IWEYQZWOOAZKMN-UHFFFAOYSA-N	318.461	3.036	10	20	DGCD	
CC(=O)c1ccc(C(=O)Nc2c(Cl)ccc3nonc23)s1	1261140556	WWPSRGHTPJQJOT-UHFFFAOYSA-N	321.745	3.393	10	20	DGCD	
CC[C@@H](c1ccncc1)N(C)Cc1ccc(OC)c(OC)c1O	1333763492	FBKZFZBLVWXWTR-HNNXBMFYSA-N	316.401	3.388	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCCOC1CCOCC1	1342407965	KVBGZHYUFAHFFO-GOEBONIOSA-N	319.445	3.424	10	20	DGCD	
O[C@]1(CCNCc2ccc(N3CCCC3)cc2)C[C@H]2CC[C@H]1C2	1347514557	PBDSZACEEDWFMU-CMKODMSKSA-N	314.473	3.318	10	20	DGCD	
CN(Cc1cc(F)cc(F)c1)c1ccc(OCC(=O)O)cc1	1598508371	DMADYHGMCVQESM-UHFFFAOYSA-N	307.296	3.065	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1F	108958797	XZUYBCPQAJFTLW-CYBMUJFWSA-N	300.377	3.312	10	20	DGCD	
Cc1cccc(C)c1NC(=O)[C@H](C)N(C)Cc1ccccc1O	109770515	ZTEDLBBKZZIQFG-HNNXBMFYSA-N	312.413	3.468	10	20	DGCD	
Cc1ccc(C(=O)OCCCOc2ccccc2)c(O)c1O	110527700	XOEXYDLLQIDNCP-UHFFFAOYSA-N	302.326	3.032	10	20	DGCD	
CN(Cc1cc(Cl)c2c(c1)OCCO2)Cc1ccccc1O	111235149	BXONSPQFEUMICI-UHFFFAOYSA-N	319.788	3.449	10	20	DGCD	
CN(CCNCc1c(O)cccc1Cl)C(=O)OC(C)(C)C	113333457	ZLPAFRMHCBREAC-UHFFFAOYSA-N	314.813	3.002	10	20	DGCD	
CCCN(C)C[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	160315496	KNCFPCYIZHAARW-MRXNPFEDSA-N	316.489	3.435	10	20	DGCD	
CN1C(=O)/C(=C/c2ccc(F)c3cccnc23)SC1=S	164672933	GJEYZZBLVUBWBK-XFFZJAGNSA-N	304.371	3.205	10	20	DGCD	
C[C@H]1[C@H](C)CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1	173290121	FZBAKMPCJMPPML-CVEARBPZSA-N	313.445	3.393	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c(O)c1O	184783246	FPRJCETZCQSQOH-ABAIWWIYSA-N	312.369	3.025	10	20	DGCD	
CN1CCCc2cc(CNCc3cc(O)cc(F)c3)ccc21	185499683	LJWCYIPHOVSFGX-UHFFFAOYSA-N	300.377	3.204	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@@H](C)c1cc(F)ccc1O	186177207	WCOIGHHODUIPQX-NSHDSACASA-N	305.397	3.240	10	20	DGCD	
COc1ccc(O)c(CNc2cccc(N3CCCC3=O)c2)c1	237364245	LIJUDTIXNXRQMB-UHFFFAOYSA-N	312.369	3.140	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1	246463125	PZMFVWRQQKRFOC-FTRWYGJKSA-N	312.457	3.395	10	20	DGCD	
COCCCN1CCC(N[C@H](C)c2ccc(C)c(C)c2O)CC1	273563837	IVZDIBCKGLEEAM-MRXNPFEDSA-N	320.477	3.161	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)CC[S@@]1=O	277779332	WOEOSHZJRSNSEW-AOMKIAJQSA-N	320.502	3.020	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)c1ccccc1	282553658	STETZAKMJJKEAU-UHFFFAOYSA-N	311.381	3.404	10	20	DGCD	
C[C@H](N[C@@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1O	285724451	QIDGRCZPAVYUMX-IUCAKERBSA-N	323.299	3.385	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCO[C@@H](C(F)(F)F)C2)cc1F	287729736	PBFYTKJCQPCQDW-SMDDNHRTSA-N	320.330	3.091	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCOC[C@H]2CCCO2)c(O)c1	293630681	HNORCKDQGKGDFM-JKSUJKDBSA-N	307.434	3.245	10	20	DGCD	
CCOc1ccc(O)c(CN2CC(C)(C)[C@H]2c2nccn2C)c1	294754904	IOUBHJDQFHQVBD-MRXNPFEDSA-N	315.417	3.108	10	20	DGCD	
COc1cccc(CC(=O)NCc2ccc(N3CCCC3)cc2)c1	298398562	NCHQMTSYULXAMZ-UHFFFAOYSA-N	324.424	3.154	10	20	DGCD	
C[C@@H]1SCC[C@@H]1NCc1cc(Br)ccc1O	309833381	ZGELALSJBOGAGG-KWQFWETISA-N	302.237	3.138	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCn3nccc32)c1	375913152	HAVPPMYRAWLRBV-UHFFFAOYSA-N	320.396	3.259	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H]1CCN(Cc3ccccc3)C1)CC2	383936770	CYFVMAOFPWUYRU-IEBWSBKVSA-N	322.452	3.491	10	20	DGCD	
Cc1cc(Br)cc(CN(C)[C@@H]2CCCOC2)c1O	401590407	WKZLWYSNJCYXLC-CYBMUJFWSA-N	314.223	3.074	10	20	DGCD	
COc1ccc(O)c(C(=O)NCc2c(C)c3ccccc3n2C)c1	471236886	XOTUYBQWUSPWTE-UHFFFAOYSA-N	324.380	3.131	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(O)cs2)cc1	732273023	ILUSJQSPPNATHZ-UHFFFAOYSA-N	304.415	3.230	10	20	DGCD	
C[C@@H]1CCC[C@H](OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	732954388	ZGNFMOCXTHNICV-QAPCUYQASA-N	318.461	3.306	10	20	DGCD	
CC[C@@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)c(F)c1	733100293	TYACUPCNUDCPIK-QGZVFWFLSA-N	322.424	3.246	10	20	DGCD	
CCCCOC(=O)CN(Cc1ccccc1O)C1CCCC1	733613192	CMJCQFXIWMWNSC-UHFFFAOYSA-N	305.418	3.480	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)ccc1O	748023672	HTTHVQHANKEQPS-UHFFFAOYSA-N	314.360	3.062	10	20	DGCD	
C[C@H](Cc1ccccc1Cl)NC(=O)NCc1ccccc1O	748461634	MVFCVFHETZKROJ-GFCCVEGCSA-N	318.804	3.476	10	20	DGCD	
CCOc1ccc(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)c(O)c1	752923786	GSQOIAUURAILSG-VXGBXAGGSA-N	318.421	3.273	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CC[C@@H](SC)C2)c1	756610530	PGTTWKVDGNUNSK-CYZMBNFOSA-N	309.431	3.114	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2c3ccccc3C[C@H]2O)c2c(O)ccc(F)c21	756641359	VBKBWIPSKXSEFO-IQGUHLKTSA-N	313.372	3.328	10	20	DGCD	
CCN(Cc1ccc(OC)cc1)Cc1c(O)cccc1OC	768334236	NUHYBGSWOHRVDS-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
CCOc1ccc(O)c(CN(C)CCN(C)c2ccccc2)c1	769381239	NIRKIPLIVIZTID-UHFFFAOYSA-N	314.429	3.359	10	20	DGCD	
Cc1nc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1	773210221	KBFCHZMNRMCAMD-NSHDSACASA-N	318.446	3.078	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(C)cc2F)c1O	774927600	HZICXJKXWKPYQZ-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
COc1cc(Cl)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1	775356162	FSWCRYTWPAHBAV-CLTKARDFSA-N	319.744	3.412	10	20	DGCD	
CCC(=O)N1CC[C@@H](N[C@H](CC)c2cc(Cl)ccc2O)C1	775513119	GGHNFVAXLKWBAY-TZMCWYRMSA-N	310.825	3.097	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)NOC1CCCCC1	777723036	SYUWICUMNHERBL-UHFFFAOYSA-N	318.417	3.335	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccc(Cl)cn3)CC2)cc1	778209743	SNZNPXRZDQNRBK-UHFFFAOYSA-N	317.820	3.066	10	20	DGCD	
Fc1ccc([C@@H](NCc2ccc3c(c2)CCO3)c2ncc[nH]2)cc1	783236868	KGRQGNYTMKFYFQ-GOSISDBHSA-N	323.371	3.363	10	20	DGCD	
CCOC(=O)C1(CNCc2ccc(OCC)cc2O)CCCC1	792194358	BRSOCPOOJHIQTQ-UHFFFAOYSA-N	321.417	3.004	10	20	DGCD	
CN(C)c1ccc(CNCCOC2CCC2)c(C(F)(F)F)c1	793001849	RJKBTRRANDZTDS-UHFFFAOYSA-N	316.367	3.430	10	20	DGCD	
C[C@@H](NC(=O)N(C)CC(F)(F)F)c1ccc(N(C)C)cc1	800113589	GGDIFXISMGNLHY-SNVBAGLBSA-N	303.328	3.017	10	20	DGCD	
CCOc1cccc(CN[C@H]2CCc3ccccc3OC2)c1O	800890604	WYNNMWLKIVFHPT-INIZCTEOSA-N	313.397	3.274	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCSC1	806821421	MFIAJJSWEPJOGD-CQSZACIVSA-N	321.490	3.003	10	20	DGCD	
CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1ccccc1O	808008738	XBCYOVDRTDHSQF-UHFFFAOYSA-N	300.314	3.139	10	20	DGCD	
Cc1cc(CN[C@H](C(C)C)C2(CO)CCC2)ccc1N(C)C	815251392	ZIIVXQAEBNSINQ-GOSISDBHSA-N	304.478	3.338	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC[C@H]3CNC[C@@H]3C2)c1O	817985691	GYHNMPYSLSBXPV-PWNZVWSESA-N	308.853	3.393	10	20	DGCD	
Cc1ccccc1[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819165860	FRBKAECVHWQHBS-CQSZACIVSA-N	324.380	3.226	10	20	DGCD	
CCCCC[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819166374	VPQAIYCCMNNJST-CYBMUJFWSA-N	304.390	3.125	10	20	DGCD	
Cc1cc(O)c(CNc2ccn(CC(F)F)n2)cc1Cl	825338471	ZMFDKNYGKYLMBE-UHFFFAOYSA-N	301.724	3.428	10	20	DGCD	
C[C@@H](NC(=O)[C@](C)(O)[C@H](C)c1ccccc1)c1ccccc1O	827937221	OYRSUZGSENLSFC-PJIJBLCYSA-N	313.397	3.124	10	20	DGCD	
CC1(C)C(c2cc(NC(=O)Cc3ccc(N)cc3)n[nH]2)C1(C)C	832135964	UUWQYMGLFIPBKE-UHFFFAOYSA-N	312.417	3.323	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)CCCN)c2C)c1	832781523	HSCRABOKWDSXBT-UHFFFAOYSA-N	313.445	3.132	10	20	DGCD	
CC1(C)C[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O	840408367	DUHOBHLRPRITAR-JTQLQIEISA-N	303.189	3.297	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1CN1CCCC1	840912369	NXAVJZPETRRCQZ-LJQANCHMSA-N	301.478	3.121	10	20	DGCD	
Cc1cnc([C@H](NC(=O)Nc2ccc(N)cc2)C2CC2)s1	841299541	IPHRXISFVQUGOA-CYBMUJFWSA-N	302.403	3.307	10	20	DGCD	
C[C@H](c1ccccc1F)N(C)C(=O)NCCc1ccc(N)cc1	841963096	WICACJZMHFJVHR-CYBMUJFWSA-N	315.392	3.353	10	20	DGCD	
CCCC[C@@H](COC)NC(=O)NCc1cc(Cl)ccc1O	845005294	JQEIFSHYJDTRCA-ZDUSSCGKSA-N	314.813	3.050	10	20	DGCD	
Cc1csc(CCNCc2cc(F)c(N(C)C)cc2F)n1	858094246	NHWFIMAQKFAVRL-UHFFFAOYSA-N	311.401	3.128	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC3(CC3)C2)cc1	861854710	QFAVODMPMCBLDV-UHFFFAOYSA-N	322.408	3.072	10	20	DGCD	
CCOC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1	865032074	RHUSILOQASOJMT-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2cnc(C)s2)c1	866454867	HKQYJBIYJXJUQC-ZJUUUORDSA-N	320.414	3.356	10	20	DGCD	
CCCc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1	867301801	FEMYLIUSLZXTIY-LLVKDONJSA-N	319.426	3.473	10	20	DGCD	
COc1cc(C)cc(CNCCCN(C(C)C)C(C)C)c1O	894326236	NJHBGVKPZHPELE-UHFFFAOYSA-N	308.466	3.308	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)C[C@H](O)c2cccs2)c1O	894370362	JXOZDPJZQVWZQW-JSGCOSHPSA-N	321.442	3.373	10	20	DGCD	
COc1ccc(CNC2(C(F)F)CCCC2)c(O)c1OC	894527630	ZSVDRWWFVBCXOA-UHFFFAOYSA-N	301.333	3.077	10	20	DGCD	
Nc1ccc(NC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1	911659846	FQHBLCHJZGJCCJ-NEPJUHHUSA-N	302.296	3.097	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2cc(F)cc(F)c2)cc1OC	1116781246	YGAOKMYAKJKBQO-UHFFFAOYSA-N	323.339	3.320	10	20	DGCD	
C/C=C(/CC)C(=O)N1CCN(c2ccc(OCC)cc2)CC1	1321012652	XVNKCKVVGYCKFL-TVPGTPATSA-N	302.418	3.090	10	20	DGCD	
Nc1ccc(CN2CCCC[C@H]2CNC(=O)c2ccccc2)cc1	1336117996	UJVCCYSJIDEEKG-IBGZPJMESA-N	323.440	3.053	10	20	DGCD	
Cc1nnc2c(Sc3ncc(C(C)(C)C)s3)nccn12	1336542593	HZRLXNRTXIAWLX-UHFFFAOYSA-N	305.432	3.338	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(=O)O)ccc2F)cc1OC	1599583884	HYCXAWLLLXCLQY-UHFFFAOYSA-N	319.332	3.178	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCc1ccc(Cl)cc1	42994830	LEVGHDOFPDDIPK-UHFFFAOYSA-N	318.804	3.430	10	20	DGCD	
CC(C)(C)OC(=O)NCCCNCc1cc(Cl)ccc1O	105433442	QNNXRVIVACEWSL-UHFFFAOYSA-N	314.813	3.050	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2ccc(F)cc21	106577203	VTBNNUIIFOJISA-MRXNPFEDSA-N	314.360	3.360	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(F)c(F)c(F)c1F	120257630	QRHMRWFJMMPYCL-UHFFFAOYSA-N	313.250	3.221	10	20	DGCD	
CC[C@@H](NCC(C)(C)CO)c1cc(Br)ccc1O	122009374	YSYDZSABVAPEQI-GFCCVEGCSA-N	316.239	3.214	10	20	DGCD	
Cc1ccc(O)c(CN2CCCN(Cc3ccccc3)CC2)c1	127316959	WEUDAHKDROREHN-UHFFFAOYSA-N	310.441	3.409	10	20	DGCD	
C[C@@H](NC(=O)c1ccsc1)c1ccc(N2CCOCC2)cc1	145564633	FCMQMFSBXLCFQU-CYBMUJFWSA-N	316.426	3.076	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCc2ccc(Cl)cc21	171479925	QZSZSLBMSCPYDP-DAFODLJHSA-N	302.736	3.477	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc[nH]c2C)cc1F	176357919	LBHRIAFPPQFTMT-UHFFFAOYSA-N	303.381	3.238	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H]2COC3(CCCCC3)O2)c(O)c1	186230604	QHAKACTYUQWQKB-LSDHHAIUSA-N	305.418	3.427	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1	189619746	KSPYNZDSWMAHOJ-DZGCQCFKSA-N	317.351	3.274	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1c(F)cccc1F	190916680	RLBUWGQWHMKWIN-VIFPVBQESA-N	322.311	3.129	10	20	DGCD	
C[C@H](NCc1cn2ccsc2n1)c1ccc(N(C)C)cc1	268818318	QTHVSNQRNQVXHM-LBPRGKRZSA-N	300.431	3.313	10	20	DGCD	
C[C@H](N[C@H](C)c1nncn1C)c1ccc(N2CCCCC2)cc1	268824467	AWCBTEOUTUQMLL-LSDHHAIUSA-N	313.449	3.217	10	20	DGCD	
CC[C@@H](NCCCc1nc(C)no1)c1ccc(N(C)C)cc1	271464789	KVSJKJHKCIJJFY-MRXNPFEDSA-N	302.422	3.118	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCCN(C2CCC2)C1	272742558	BFSUCUKWTQXJHO-SJLPKXTDSA-N	315.505	3.495	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)NCc2cc(C)c(C)cc2O)n[nH]1	277469712	RJIOPGFPZOLFKN-GWCFXTLKSA-N	302.422	3.491	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C1=C(C)OCCS1	280737557	JEQJMYBZCYWBKG-UHFFFAOYSA-N	307.415	3.126	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1F	291014714	XEYUAFXLLCAVDY-AWEZNQCLSA-N	322.815	3.189	10	20	DGCD	
CC[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(F)cc1O	297267826	KLXZQGYEZWSZHA-RDJZCZTQSA-N	321.367	3.315	10	20	DGCD	
CC[C@H](C)[C@H](CNCc1cc(Br)ccc1O)OC	381108875	BROLTOHIIKVSPT-HZMBPMFUSA-N	316.239	3.305	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2scnc2C)c1	588522292	JAZALMAKLDZMRS-JYESYGNLSA-N	318.398	3.056	10	20	DGCD	
Cc1cccc(CN[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1O	701862765	ZFRNNBADUXSWJU-ZDUSSCGKSA-N	308.422	3.046	10	20	DGCD	
O=C(NCCSCc1ccccc1F)c1cc(O)cs1	731864298	QFQTZUVJKPGQNP-UHFFFAOYSA-N	311.403	3.256	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn2ccccc12	732282903	BISGTAWFRXIIRD-UHFFFAOYSA-N	309.369	3.092	10	20	DGCD	
COc1ccc2[nH]cc(CCNCc3ccc4c(c3)CCO4)c2c1	733327935	LSIWLJBQHJANLR-UHFFFAOYSA-N	322.408	3.444	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1nc2ccsc2s1	735577729	XDPNVBHACVPMIX-UHFFFAOYSA-N	305.384	3.385	10	20	DGCD	
COc1ccc(N(Cc2ccco2)Cc2cncn2C)cc1F	751481016	FCVQCIOBOLGDGI-UHFFFAOYSA-N	315.348	3.368	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@@H]2C)cc1	752004357	GGCJCDVSXGISNH-GJZGRUSLSA-N	303.450	3.473	10	20	DGCD	
COc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1C	754834069	OBGCPVDONDFZHS-CGTJXYLNSA-N	301.430	3.441	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1O	756374162	YJEHVHQMAXFHCC-SNVBAGLBSA-N	321.323	3.292	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCN2Cc3ccccc3C2)c1	756478207	GPJPVPMUTAXLKK-CQSZACIVSA-N	312.413	3.067	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)Nc1ccccc1	765209551	AIGRSJDYVKMJGP-UHFFFAOYSA-N	321.174	3.476	10	20	DGCD	
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(O)cs1	765863887	BUVUNSUOOIBQBH-GXTWGEPZSA-N	303.383	3.104	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)cc1	769514292	IUHPXLHSQTWUQL-ZWKOTPCHSA-N	302.462	3.391	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)COC2(C)CCC2)C2CC2)cc1	772993760	NXYNPPZVOBKJRM-UHFFFAOYSA-N	316.445	3.203	10	20	DGCD	
COc1cc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c(O)cc1C	773256549	CIZOXLAGUOJLKO-JKSUJKDBSA-N	319.445	3.348	10	20	DGCD	
Cc1cc(C(=O)N2CC(F)(F)C2)c(C)n1-c1ccc(F)cc1	781063904	UBEORGWHDKUBCQ-UHFFFAOYSA-N	308.303	3.324	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC(=O)c2ccccc21	789646668	NGOSSZZFHGBELW-GOSISDBHSA-N	322.408	3.047	10	20	DGCD	
CN(C)c1ccc(CN(CCCO)C2CC2)c(C(F)(F)F)c1	792822324	LZMBTBBEXGRNNT-UHFFFAOYSA-N	316.367	3.118	10	20	DGCD	
FC(F)(F)c1cc(CNCCCSc2nccs2)[nH]n1	799336222	KAUISXOPZRAVRM-UHFFFAOYSA-N	322.381	3.157	10	20	DGCD	
CC[C@@H](N[C@H](CCO)CSC)c1cccc(Cl)c1O	806139443	AOHCBJOULBEIHJ-ZWNOBZJWSA-N	303.855	3.200	10	20	DGCD	
C[C@H](NCc1c(O)ccc(Cl)c1F)[C@H](O)c1ccccc1	808444724	JUOSUVGWJJIVJB-QFYYESIMSA-N	309.768	3.396	10	20	DGCD	
C[C@@H](NCC1=CCCOC1)c1cccc(C(F)(F)F)c1O	815626561	HCENNPTTZUDULJ-SNVBAGLBSA-N	301.308	3.408	10	20	DGCD	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc(O)cs1	823179185	ZZXFCBLBFCXQLN-UHFFFAOYSA-N	318.398	3.153	10	20	DGCD	
COc1cc(O)c(CNC[C@H]2CCCCC2(F)F)cc1OC	824543573	LLVPGNMAJCYFMQ-GFCCVEGCSA-N	315.360	3.325	10	20	DGCD	
CCc1cc(N2CCN(c3ccc(OC)c(F)c3)CC2)ccn1	827740051	VBEUOXMUKPJYAF-UHFFFAOYSA-N	315.392	3.118	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NOC2CCC2)cc1	836566528	GZMWAKMFBGHRKT-UHFFFAOYSA-N	305.422	3.158	10	20	DGCD	
CC(C)N(CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1	839513442	YXEZHYZGRWTQAU-UHFFFAOYSA-N	317.477	3.022	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(Br)cc1O)c1ccn(C)n1	840817468	TXABJUNBEIZNFE-ZJUUUORDSA-N	324.222	3.300	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](C)CN2CCCCC2)c1O	846146987	UFFSPYBKHAEHAW-LSDHHAIUSA-N	306.450	3.173	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)c2c(F)cncc2F)c1O	846173239	QAJRRMLJFGCBBL-UWVGGRQHSA-N	308.328	3.486	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=S)NCC1CC1	849253775	YFUIVFOFHPBIIQ-UHFFFAOYSA-N	317.502	3.393	10	20	DGCD	
CCOc1cncc(/C=C2\SC(=S)N(C3CCC3)C2=O)c1	856718019	IERJHVITBNDLDF-QPEQYQDCSA-N	320.439	3.234	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CC=C(C)C)C(=O)O)cc1	864528012	LBLUIHHUYRTIGT-KRWDZBQOSA-N	304.434	3.432	10	20	DGCD	
Cc1cccc(O)c1CNc1cccc(N2C(=O)CCCC2=O)c1	877490265	WTCSUGPZDULNGK-UHFFFAOYSA-N	324.380	3.356	10	20	DGCD	
C[C@H](NCCc1ccccc1[N+](=O)[O-])c1c(O)cccc1F	886532235	GHLNWSCPQOMCET-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
C[C@@H](NCc1nccc(C(F)(F)F)n1)c1c(O)cccc1F	886625305	NEWHYVQJSKBNFM-MRVPVSSYSA-N	315.270	3.191	10	20	DGCD	
COc1ccc(CN2CC(C)(c3ccccc3)C2)c(O)c1OC	895512788	KFEDDZUSAQMIGP-UHFFFAOYSA-N	313.397	3.183	10	20	DGCD	
CCCOc1ccc(CN[C@H]2C=CC[C@H](C(=O)O)C2)cc1C	904036088	XNFORGXFAAMNOJ-HOTGVXAUSA-N	303.402	3.293	10	20	DGCD	
Cc1cc(CN2CC[C@@H](C3OCCO3)C2)c(O)c(C(C)(C)C)c1	905695318	NLVRCBNRLMUXHF-CQSZACIVSA-N	319.445	3.193	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@@H]2c2cccs2)cc1	1336289854	ATUGOQODMRTSDW-CQSZACIVSA-N	301.415	3.377	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1csc(C2CC2)n1	1346940915	LGRAAJDYCUSNIP-UHFFFAOYSA-N	320.761	3.462	10	20	DGCD	
CCc1ccccc1[C@H](N)CNCc1cc(F)cc(F)c1O	1578275299	HLOXUUDQJADQTK-MRXNPFEDSA-N	306.356	3.022	10	20	DGCD	
Cc1cc(CNCc2c[nH]c(C(=O)O)c2)c(C)n1-c1ccccc1	1600209080	XFQICNKQNDGIGS-UHFFFAOYSA-N	323.396	3.410	10	20	DGCD	
C[C@@H](N[C@H](C)c1ncc(C(=O)O)s1)c1ccc(N(C)C)cc1	1609772956	DHZNDRCTJCEZBC-GHMZBOCLSA-N	319.430	3.319	10	20	DGCD	
C[C@H](NCc1cc(C(=O)O)ccc1F)c1ccc(N(C)C)cc1	1609779538	LMMMZOWNXCZSCR-LBPRGKRZSA-N	316.376	3.441	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@H](CC(=O)O)[C@H]1C	1610466125	DTNDTDHEXVTJMP-CKEIUWERSA-N	304.434	3.040	10	20	DGCD	
CC1(C)CCC(NCc2ccc3c(c2)CCO3)(C(=O)O)CC1	1776546922	GXNJJYYLCQDPQB-UHFFFAOYSA-N	303.402	3.135	10	20	DGCD	
CCC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1	78359834	MUVQQLSHZVDURU-UHFFFAOYSA-N	301.434	3.276	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccc4[nH]ccc4c3)ccc21	107576699	FXDLSSBKGFBQHY-UHFFFAOYSA-N	319.408	3.480	10	20	DGCD	
CC(C)(O)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1	154453826	SPRRNHZMQGUPAL-SFHVURJKSA-N	302.462	3.412	10	20	DGCD	
CC[C@H](N[C@H]1COc2c(cccc2OC)C1)c1ccccc1O	155623306	QLXNUTQRWNHGIR-ZBFHGGJFSA-N	313.397	3.445	10	20	DGCD	
O=C(c1c[nH]nc1-c1cccnc1)N1CCc2c(Cl)cccc21	155659449	YGUPPKQEVCHBDW-UHFFFAOYSA-N	324.771	3.328	10	20	DGCD	
Cc1cc(C)cc(CCC(=O)NCCc2ccc(O)c(O)c2)c1	157817060	IIHUCGVSESOPFL-UHFFFAOYSA-N	313.397	3.006	10	20	DGCD	
Cc1ccc(C(=O)NC2(c3nccs3)CCCC2)c(O)c1O	179503248	VQEYVTDLWUYJJI-UHFFFAOYSA-N	318.398	3.062	10	20	DGCD	
Cc1ccnc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1	184042392	DBRDACREJGTKKY-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
COc1cc(Cl)cc(CNCC2(O)CCCCCC2)c1O	184708907	QJWGWIKCGXOQNN-UHFFFAOYSA-N	313.825	3.229	10	20	DGCD	
C[C@H](NCc1cccc(C(N)=O)c1)c1cc2c(cc1O)CCCC2	184926937	BJMXNCPDEXLUIF-ZDUSSCGKSA-N	324.424	3.221	10	20	DGCD	
CC[C@H](C)CC(=O)NCc1ccc(N2CCSCC2)cc1	188921159	HPSPYHSAWLVJCA-AWEZNQCLSA-N	306.475	3.292	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCOC2)cc1F	193206110	OSWJTPHMTWLHFT-OAHLLOKOSA-N	322.424	3.105	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)NCc1cccc(Cl)c1O	227690959	BTOWXXYJBVEDLM-SNVBAGLBSA-N	314.813	3.048	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1	244258059	WKZFEEOHIMUVBQ-UHFFFAOYSA-N	324.424	3.356	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	246470285	ANBMQKJFSKXNQS-WRFANHODSA-N	314.429	3.358	10	20	DGCD	
CCCCCC(=O)NC1CCN(Cc2cc(F)ccc2O)CC1	272338355	YDBSNOXZDSBAKG-UHFFFAOYSA-N	322.424	3.192	10	20	DGCD	
CCOc1cccc(CNc2ccc(C(=O)N(C)C)cc2)c1O	284368793	NPUHSUBFHNFZMU-UHFFFAOYSA-N	314.385	3.105	10	20	DGCD	
COc1cccc(OC)c1CNCc1ccc(N(C)C)cc1	285568351	WBGCGDHKAPEBTB-UHFFFAOYSA-N	300.402	3.060	10	20	DGCD	
COc1cc(Cl)cc(CN(C)C2CCC(CO)CC2)c1O	290368575	HICXMAREXLJUNA-UHFFFAOYSA-N	313.825	3.037	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1	294604529	DJCIYTIMCGPSBA-KGLIPLIRSA-N	304.434	3.059	10	20	DGCD	
C[C@@H](CCCO)CN[C@@H](C)c1cc(Br)ccc1O	295859859	BKIGBWSWOSTGKW-QWRGUYRKSA-N	316.239	3.214	10	20	DGCD	
CCc1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)no1	299123745	WEAQYTACZJNLLJ-UHFFFAOYSA-N	302.422	3.109	10	20	DGCD	
COC1(CNCc2cc(Br)ccc2O)CCCC1	386436045	BRTXJRFHGQXHEX-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
CN(C)[C@H](CNCc1ccc(N2CCCC2)cc1)c1ccco1	390224100	IQTISWDGVUYYJX-GOSISDBHSA-N	313.445	3.272	10	20	DGCD	
CC[C@](C)(O)CNCc1cc(Cl)cc(Br)c1O	708098246	FWZRNTKTHYSANU-LBPRGKRZSA-N	322.630	3.059	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCCSCC(F)(F)F	708501724	IDHBEWMRSKPHCA-UHFFFAOYSA-N	301.280	3.056	10	20	DGCD	
COC(C)(C)CCNCc1c(O)cccc1Br	711828463	YVIHMZUZVMVCIW-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
COCC[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	750824302	RUMWZFWEPVGMOU-CYBMUJFWSA-N	300.402	3.249	10	20	DGCD	
Cc1ccc([C@H](C)NCCCN2CCCCCC2=O)c(O)c1C	756369944	DYMFPVYYPQPDSM-INIZCTEOSA-N	318.461	3.452	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCO[C@]3(CCOC3)C2)c2c(O)ccc(F)c21	756783442	YWNAAJKEUBBBMM-BKTMZONDSA-N	321.392	3.007	10	20	DGCD	
Cc1ccc([C@H](C)Nc2ccc(N(C)CCO)cn2)c(O)c1C	756844524	JTCJDRMPEAHYKV-AWEZNQCLSA-N	315.417	3.006	10	20	DGCD	
CN(CCC1CCCCC1)Cc1cc2c(cc1O)OC[C@H]2O	768443245	BVDSGYVSECKSHG-QGZVFWFLSA-N	305.418	3.220	10	20	DGCD	
CC(C)[C@@H]1C(=O)NCCN1Cc1cc(-c2ccccc2)ccc1O	769328570	RBHKGHHGZRJYDO-LJQANCHMSA-N	324.424	3.016	10	20	DGCD	
CCOc1ccc(CNc2cc(OC)ccc2OC)c(O)c1	770421952	AKUGDSXJVAGDEV-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
COc1ccc(NC(=O)c2cc(O)cs2)c2ncccc12	771745601	XNCUZBMEUYOPEQ-UHFFFAOYSA-N	300.339	3.263	10	20	DGCD	
CC[C@@H](NC[C@H](O)COc1cccc(F)c1)c1ccccc1O	775491007	XPTPDACUPFMNOM-WMLDXEAASA-N	319.376	3.012	10	20	DGCD	
C[C@H](C1CC1)N(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1	775654279	WLEAJMYQLXQAIW-MRXNPFEDSA-N	313.489	3.201	10	20	DGCD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	779511798	LHHPXHNPPCAYBI-VIGJRRFGSA-N	303.402	3.442	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2COCc3ccccc32)cc1F	788585462	VLGDNMJZNJUTPR-QGZVFWFLSA-N	300.377	3.253	10	20	DGCD	
CC[C@H](C)[C@H](O)CN[C@H](C)c1cccc(C(F)(F)F)c1O	788590849	HBEZBEANPYSSOV-OPQQBVKSSA-N	305.340	3.469	10	20	DGCD	
CCOc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1O	788841227	SXDAXICNUQGUKX-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
C[C@@H](O)C[C@H]1CCCCN1Cc1c(O)ccc(Cl)c1F	790934284	JTQPVNNUOFFOIO-GHMZBOCLSA-N	301.789	3.310	10	20	DGCD	
C[C@@H]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1	798512240	GCEPPNLVRWKPRR-ZBFHGGJFSA-N	303.450	3.330	10	20	DGCD	
CC1(C)CN(C(=O)c2cc(O)cs2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	799852251	TZSKNHZQWMLQDS-PEBVRCNWSA-N	321.442	3.264	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)NC(C)(C)C	801599237	GPQQOWIUVPNLKG-AWEZNQCLSA-N	306.450	3.298	10	20	DGCD	
CS[C@@H](C)CC(=O)NCc1cc(Cl)cc(Cl)c1O	807840633	GYHQASUAWYNVMH-ZETCQYMHSA-N	308.230	3.457	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@H](O)COCC(C)C)c1O	808679832	BPHJZBNVLCGTDL-OCCSQVGLSA-N	315.841	3.038	10	20	DGCD	
Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)c(F)cc1[N+](=O)[O-]	812463057	BWLPMVCDELBDEH-SNVBAGLBSA-N	320.320	3.497	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)CCCC3CC3)CC2)cc1	812477867	FMKFGIDJHSAYSE-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCC[C@@]1(O)C[C@H]2CC[C@H]1C2	814170847	FGDNJUZYGOZNNT-KNHMANMVSA-N	313.800	3.216	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cncs1	814640754	QOJGORUVHJLVAQ-UHFFFAOYSA-N	317.458	3.190	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(C(C)C)nc2C)c1	815835465	UTNCDDCFQBUTET-UHFFFAOYSA-N	314.385	3.158	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCC(F)(F)C1	819756071	QSDALWHQFHLTPT-LLVKDONJSA-N	318.360	3.320	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H]3[C@H](CCCN3C)C2)cc1Cl	824933042	ATLPQPPEKUDHKR-CZUORRHYSA-N	308.853	3.270	10	20	DGCD	
Cc1cc(CN[C@H](C)Cn2cccn2)ccc1N1CCCCC1	827752135	KUJYIGCFXSGXQM-QGZVFWFLSA-N	312.461	3.360	10	20	DGCD	
CO[C@@H]1COCC[C@H]1CN[C@H](C)c1cc(Cl)cc(C)c1O	834880789	QUPWUFYQTCFZAS-TYNCELHUSA-N	313.825	3.056	10	20	DGCD	
Cc1ccncc1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	836406430	RPLPJPJTAHVXQF-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CCC[C@@H]2C[C@H]12)c1ccc(N(C)C)cc1	838559784	QEGVYGRJTDYZOM-IRWJRLHMSA-N	301.434	3.301	10	20	DGCD	
COc1ccc(N(C)Cc2cc(O)nc(C3CC3)n2)cc1Cl	838868924	HFYFDLWTERJYST-UHFFFAOYSA-N	319.792	3.358	10	20	DGCD	
COc1cc(Cl)cc(CNCC[C@H]2C[C@H]3CC[C@H]2O3)c1O	839164610	XTNFFWFCDIXETE-ZLKJLUDKSA-N	311.809	3.101	10	20	DGCD	
CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	840540684	WFUOMFFEKXQOMA-OJYSIEITSA-N	303.402	3.442	10	20	DGCD	
CCCC1CCC(NC(=O)NCCc2ccc(N)cc2)CC1	841734863	USRVYRWFJSHBDR-UHFFFAOYSA-N	303.450	3.469	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCCNC1	843059923	USRHHCHMNYRGSA-GOSISDBHSA-N	301.478	3.108	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@H]3CNC[C@H]3C2)cc1F	843341227	SOVPXAWLERQCBI-GVDBMIGSSA-N	319.468	3.150	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](CO)CC2CCCC2)c1O	846166845	DMPVKISMFKRAMG-HIFRSBDPSA-N	307.434	3.240	10	20	DGCD	
COC[C@H](N[C@@H](C)c1ccccc1O)c1cccc(OC)c1	850515179	UBCCMHJETZWKAD-GUYCJALGSA-N	301.386	3.439	10	20	DGCD	
CCCC[C@H](Sc1ncc(C(=O)OCC)s1)C(=O)OC	853560294	SSRRZMHCTKMNST-VIFPVBQESA-N	317.432	3.144	10	20	DGCD	
CCCOc1ccc(CNCc2ccc(OC)nc2)cc1C	873011209	STQXSVVADKWTQJ-UHFFFAOYSA-N	300.402	3.477	10	20	DGCD	
COc1cc2c(cc1CNCc1ccc(C)cc1O)O[C@@H](C)C2	876924354	PWUXTEKJHCUHQQ-ZDUSSCGKSA-N	313.397	3.322	10	20	DGCD	
CS[C@H]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	877068162	MWZWDUSNWLPKJE-YJBOKZPZSA-N	320.502	3.021	10	20	DGCD	
Cc1sccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	880400042	BXGRDAPVVLEFFH-SECBINFHSA-N	306.387	3.220	10	20	DGCD	
C[C@@H](NCc1cc(F)cc(F)c1O)c1nc(C(C)(C)C)no1	883024760	LUNVGXCBARNKSC-MRVPVSSYSA-N	311.332	3.202	10	20	DGCD	
COc1cc(Br)cc(CNC[C@H]2C=CCC2)c1O	883238613	IATWAPCZEFEGSW-JTQLQIEISA-N	312.207	3.219	10	20	DGCD	
COc1ccc(CNCc2ccc(Cl)cc2)c(O)c1OC	892475461	IFHCVYVAOLLCAP-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
COC[C@@H](Cc1ccccc1)NCc1cc(C)cc(OC)c1O	894320707	OJRJFRGCEVGJFN-QGZVFWFLSA-N	315.413	3.057	10	20	DGCD	
C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1cccnc1	901707348	UXVHXHSYHNDSGZ-KXBFYZLASA-N	312.461	3.101	10	20	DGCD	
C[C@H](NCC1CC2(C1)OCCO2)c1ccc2ccccc2c1O	926999831	DYDQMJURKFTPIQ-ZDUSSCGKSA-N	313.397	3.349	10	20	DGCD	
C[C@@H](NCCO[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1O	927079547	FXMKIFOYCWZAFT-ZJUUUORDSA-N	320.216	3.155	10	20	DGCD	
C/C=C(/C)C(=O)N1C[C@H](NCc2ccc(OC)c(C)c2)C[C@H]1C	988512190	LMVGFRPNUYMBIO-JSQNTXSXSA-N	316.445	3.049	10	20	DGCD	
O=c1[nH]c(/C=C/c2ccc(N3CCCC3)cc2)nc2cnccc12	1116327446	STQYSSFUBRWXNO-VMPITWQZSA-N	318.380	3.089	10	20	DGCD	
CCOC(=O)CCN(Cc1ccc(N2CCCC2)cc1)C1CC1	1319947862	PGLXLFFMQWMMQN-UHFFFAOYSA-N	316.445	3.204	10	20	DGCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)c2ccccc2NC1=O	1324334869	AZUYUCOAHBUJEU-LLVKDONJSA-N	300.333	3.126	10	20	DGCD	
CC[C@@]1(C(=O)O)CCCN(Cc2ccc(N3CCCC3)cc2)C1	1336118122	DKSXUBPXDFQMAC-LJQANCHMSA-N	316.445	3.364	10	20	DGCD	
C[C@@H]1CN(C(=O)c2cccc3c2CCN3)c2ccc(F)cc2O1	1340100485	TUGRTJJWIRLIRJ-LLVKDONJSA-N	312.344	3.221	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(C)n(C3CC3)c2C)c(O)c1	1344406055	MZLUJCTWWXJAMV-UHFFFAOYSA-N	314.385	3.084	10	20	DGCD	
O=C(O)[C@H](CNCc1ccc(N2CCCC2)cc1)c1ccccc1	1574817390	CHJMBZPKBKAYPC-LJQANCHMSA-N	324.424	3.245	10	20	DGCD	
Nc1ccc(CCN[C@@H]2CCC[C@@H](CCCC(=O)O)C2)cc1	1601216365	YEYJHNMHWNHNDR-DOTOQJQBSA-N	304.434	3.215	10	20	DGCD	
CN(C)[C@H](CNCc1cc(Cl)ccc1O)c1ccccc1	21051816	ROGGEYYKTUNMIJ-MRXNPFEDSA-N	304.821	3.438	10	20	DGCD	
C[C@H](N[C@H]1CC=CCC1)c1ccc(N2CCOCC2)c(F)c1	90036400	OZOUYRPVIHVJCB-HOCLYGCPSA-N	304.409	3.422	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)C[C@@H]3CCCOC3)c2c1	107671967	FLOIEFJFLDALKZ-AWEZNQCLSA-N	315.413	3.412	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@@H]2CCCC[C@@H]2C1	122566630	ANKLZPFJQRYAFO-XHSDSOJGSA-N	317.429	3.363	10	20	DGCD	
COc1ccc(N(C)Cc2cc(F)ccc2[N+](=O)[O-])cc1OC	140337480	FPKLFOAXCITXAE-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
C[C@@H]1CC[C@@H](CCC(=O)NCc2ccc3c(c2)CCCN3C)O1	175788020	DQCWRVPVOPNYLQ-PBHICJAKSA-N	316.445	3.033	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C(F)F)c1	186413226	FOSJHIRUVLKFSH-JTQLQIEISA-N	321.323	3.396	10	20	DGCD	
CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc2ccccc2c1O	188491762	UGEHWAKYIITWJS-CHWSQXEVSA-N	300.402	3.063	10	20	DGCD	
CCN1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1C	211380873	XJXMFBHPXMXQQO-JTQLQIEISA-N	303.233	3.225	10	20	DGCD	
CC[C@H](N[C@@H](C)C[C@H](C)O)c1cc(Br)ccc1O	252769300	SJROXWXYSKCPAT-KWBADKCTSA-N	316.239	3.355	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CCCC3)ccc21	264078027	HMFGVTPTSLZHPH-UHFFFAOYSA-N	300.402	3.141	10	20	DGCD	
C[C@@H](CCO)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	268973921	ZVVXALMBPPRVOV-LSDHHAIUSA-N	308.441	3.485	10	20	DGCD	
CCc1ncnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1F	270882498	AUVSJZABVNTGAX-UHFFFAOYSA-N	323.375	3.348	10	20	DGCD	
CO[C@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	272749712	LCLXLVIEUCSOSE-OAHLLOKOSA-N	306.450	3.305	10	20	DGCD	
CC[C@@](C)(OC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	280769241	ROTCXBGWSWJRBI-LJQANCHMSA-N	318.461	3.354	10	20	DGCD	
COc1cccc([C@H](O)CN[C@@H](C)c2c(C)cc(C)cc2O)c1	284162455	PVMDTZDBAOEMAA-KBXCAEBGSA-N	315.413	3.402	10	20	DGCD	
COc1ccc(CNCc2cnc(OC)c(Cl)c2)cc1C	295091677	TXSNCJFQFSBKJK-UHFFFAOYSA-N	306.793	3.350	10	20	DGCD	
Cc1cc(CN[C@H]2CCc3cccc(O)c32)cc(N2CCCC2)n1	297482246	ZJFSIQKVRGSPKY-KRWDZBQOSA-N	323.440	3.473	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2C[C@H]3CCC[C@@H](C3)C2)c([N+](=O)[O-])c1	323403354	KXZFQZGFSYIFTD-MPCGPATOSA-N	316.357	3.319	10	20	DGCD	
CC(C)(C)C(=O)N1CCC(NCc2cccc(Cl)c2O)CC1	378963906	YUNWAKSVUDRGQP-UHFFFAOYSA-N	324.852	3.172	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](F)C3)ccc21	452367893	DZBMTPDIIORJEF-OAHLLOKOSA-N	318.392	3.089	10	20	DGCD	
Cc1c(CNC(=O)c2cncnc2C2CC2)n(C)c2ccccc12	582948418	UFIKGCYQJCKEFZ-UHFFFAOYSA-N	320.396	3.084	10	20	DGCD	
COCC[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C	725722214	QMRTUFLBMBBGAJ-NSHDSACASA-N	306.431	3.310	10	20	DGCD	
Cc1ccc(C(=O)OCc2cccc3cccnc23)c(O)c1O	750620283	XZKBKTAWBFGIPU-UHFFFAOYSA-N	309.321	3.311	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@]2(C)C(=O)O)cc1F	756390287	TZPAZKZSFXQVBE-WMZOPIPTSA-N	322.424	3.405	10	20	DGCD	
C[C@@H]1C[C@H](NCc2csc(N(C)C)n2)c2c(O)ccc(F)c21	756635796	HMQDFHHSVZEJJO-SKDRFNHKSA-N	321.421	3.392	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC(=O)N[C@@H](C)C(C)C)cc1	759643066	KRJIBCSJUICIML-INIZCTEOSA-N	319.493	3.125	10	20	DGCD	
CCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc2ccccc2c1O	760886933	OZHBLXJQCHXTLI-FSPWUOQZSA-N	315.413	3.390	10	20	DGCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H]2CCCCCN2C1=O	761582016	YWVBMRJFYUPOQS-CJNGLKHVSA-N	315.417	3.020	10	20	DGCD	
CCc1cccnc1C(=O)NCc1ccc(N(CC)CC)cc1	766383004	TVZOYCKGERHDGJ-UHFFFAOYSA-N	311.429	3.420	10	20	DGCD	
C[C@H](NC(=O)Cc1c(F)cccc1F)c1ccc(N(C)C)cc1	773024150	ZXJFWTIPGHSXRL-LBPRGKRZSA-N	318.367	3.451	10	20	DGCD	
Cc1cc(NS(=O)(=O)CCc2ccccc2)c(C)c(C)c1O	775291511	KIUYQOQRWLVIIZ-UHFFFAOYSA-N	319.426	3.302	10	20	DGCD	
COc1ccc(O)c(CNCc2ncc(C(C)(C)C)s2)c1	790471982	UMCUFODYFVRJQJ-UHFFFAOYSA-N	306.431	3.445	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCc1ncccn1	791342465	GBVZSXSZAHUZDG-UHFFFAOYSA-N	313.382	3.303	10	20	DGCD	
C[C@H](O)C[C@H](C)CN[C@H](C)c1cccc(C(F)(F)F)c1O	798184621	ZKJSHMNAELDDAY-GARJFASQSA-N	305.340	3.469	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1nccs1	806093735	JQRWQGNCVZKSBP-UHFFFAOYSA-N	318.185	3.477	10	20	DGCD	
CCc1cccc(CC)c1-n1ccnc1SCC(=O)C(C)=O	808021624	UFUKIJYPPKVJMT-UHFFFAOYSA-N	316.426	3.247	10	20	DGCD	
CC(C)NCCCN[C@H](C)c1ccc(Br)cc1O	817954275	WYXAGUGGOUGTHZ-LLVKDONJSA-N	315.255	3.193	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3ccc(C)cn3)C2)cc1	818222418	SIRRPBPGZHDEMP-MRXNPFEDSA-N	311.429	3.015	10	20	DGCD	
Oc1ccccc1CN(Cc1ccncc1F)C[C@H]1CCCO1	823387063	SZOITVAIJJJMCY-MRXNPFEDSA-N	316.376	3.108	10	20	DGCD	
OC[C@H](C1CC1)[C@@H](NCc1c(O)ccc(Cl)c1F)C1CC1	824845090	HNXBHQFEEQAMJC-WBMJQRKESA-N	313.800	3.071	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1	831447635	AVFUNFGQJADSRN-QFBILLFUSA-N	324.424	3.095	10	20	DGCD	
CCN(CC)c1ccc(CNc2nc3n(n2)CCCC3)cc1F	834482909	VCIUQBWGAKQQPH-UHFFFAOYSA-N	317.412	3.212	10	20	DGCD	
Cc1ccccc1C[C@H](C)NC(=O)NCCc1ccc(N)cc1	841718397	QRODIKAFIPQARQ-HNNXBMFYSA-N	311.429	3.050	10	20	DGCD	
CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841953943	GNLCUBVGAVXSMD-PBHICJAKSA-N	303.450	3.422	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]([C@@H]3CCCNC3)C2)c1O	843127252	PBTIIIGFNADPBC-HZPDHXFCSA-N	318.461	3.003	10	20	DGCD	
Cc1cccc(NC(=O)[C@H](C)N2CCCc3cc(CN)ccc32)c1	843350238	QOHYDMNZBBBCQV-HNNXBMFYSA-N	323.440	3.234	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCCC[C@H]2c2ncc[nH]2)cc1F	862237395	NTHDSVQQIJWLJV-HNNXBMFYSA-N	320.387	3.481	10	20	DGCD	
CCc1cccc(CNCc2ccc(N(C)C(C)=O)cc2)c1O	862484867	CEWXISNJAPRBRC-UHFFFAOYSA-N	312.413	3.227	10	20	DGCD	
CCC(O)(CC)CN(C)Cc1cc(F)c(N(C)C)cc1F	862538682	CNCWCDIRAGBPGQ-UHFFFAOYSA-N	300.393	3.014	10	20	DGCD	
CO[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)c1ccccc1	868129887	UMNWMDKKIWFRHB-DYVFJYSZSA-N	314.385	3.140	10	20	DGCD	
C[C@H]1CCC[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1	877501195	MPZGSZZWERLCGF-RDJZCZTQSA-N	302.462	3.174	10	20	DGCD	
Oc1ccc(F)cc1CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	877662923	ZPPKDXGOMUPLBK-WBVHZDCISA-N	323.314	3.429	10	20	DGCD	
Nc1ccc(OCc2cn(CCC3CCCCC3)nn2)cc1	881317008	XEKFTGHSKAPJIB-UHFFFAOYSA-N	300.406	3.410	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](CF)C2)cc1	883157559	CALOBYBCNNMWLQ-HNNXBMFYSA-N	307.413	3.034	10	20	DGCD	
C[C@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1c(O)cccc1F	886504119	SBYWEMFMQQRSND-LBPRGKRZSA-N	322.424	3.219	10	20	DGCD	
C[C@H](NCCCCN1C[C@@H](C)O[C@H](C)C1)c1c(O)cccc1F	886548266	ZTWKNQGPTHKFPL-KFWWJZLASA-N	324.440	3.071	10	20	DGCD	
COc1ccc(CNc2ccc(N(C)C)cc2)c(O)c1OC	892312748	GZYXGAATQSSMJP-UHFFFAOYSA-N	302.374	3.088	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@](C)(O)c2cccc(F)c2)c1O	903310295	PQMODSVJHOHDFS-XIKOKIGWSA-N	319.376	3.098	10	20	DGCD	
CCc1onc(C)c1NCc1ccc(N2CCOCC2)c(F)c1	922134599	IQNDHAYSOMVRNP-UHFFFAOYSA-N	319.380	3.133	10	20	DGCD	
CC(=O)N1CCC(CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)CC1	1116565001	DCHGTPIAVSUVIQ-CZUORRHYSA-N	316.445	3.097	10	20	DGCD	
CC[C@@H](NCc1c(O)nnc(C)c1C)c1ccc(C)cc1O	1326872627	ANHFMOXYEUAQSB-OAHLLOKOSA-N	301.390	3.054	10	20	DGCD	
O=C(O)[C@H](CNCc1cc(F)c(F)cc1O)C1CCCCC1	1608538161	GPDIBICINLBWDH-GFCCVEGCSA-N	313.344	3.041	10	20	DGCD	
COc1cccc(CNC(=O)c2cccc(F)c2Cl)c1O	175928564	SANQWISCIWRLMK-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
Oc1ccccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1	179552797	JNUHOAUEGCVGHM-KRWDZBQOSA-N	313.397	3.279	10	20	DGCD	
CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(O)c(O)c1	67454537	ORDZWVGHMALPNF-HNNXBMFYSA-N	318.760	3.338	10	20	DGCD	
C[C@H](NCCSCCCO)c1ccc2ccccc2c1O	185378847	VRKKPWWTRYWQSL-ZDUSSCGKSA-N	305.443	3.312	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)N[C@H](C)CCCO)c1O	187294810	YGYWWXQXXZPBTI-GHMZBOCLSA-N	316.239	3.275	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)c1O	73439963	IPEAMEICJYAWLN-SCRDCRAPSA-N	306.406	3.025	10	20	DGCD	
COc1ccc(/C=C\C(=O)NCc2ccc(N(C)C)cc2)cc1	212370681	FMGRCEFQSFNYMM-JYRVWZFOSA-N	310.397	3.091	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)CCCOC)cc1F	182733472	FTZWEYWLQIUMLW-AWEZNQCLSA-N	324.440	3.351	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(F)c(F)c1O	187806188	GNOBSLMEPCDPTE-JTQLQIEISA-N	323.387	3.380	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@](O)(C3CC3)C2)cc1	368473015	CMLDMLLOASVBSK-FQEVSTJZSA-N	324.424	3.081	10	20	DGCD	
CCc1nc([C@@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)n[nH]1	273542178	YPKKJHVBSZNZBR-VXGBXAGGSA-N	314.433	3.363	10	20	DGCD	
CN(C)c1ccc(CN[C@@]2(C)CCOC2)c(C(F)(F)F)c1	280391230	VAJZUPYYWGBTQC-AWEZNQCLSA-N	302.340	3.040	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCCCC1)c1cccc(Cl)c1O	287826472	VLZMVLULPCGKFT-HNNXBMFYSA-N	324.852	3.489	10	20	DGCD	
CC(C)S(=O)(=O)CCN[C@H](C)c1ccc2ccccc2c1O	290192153	FZOBUVLYGFIJMM-CYBMUJFWSA-N	321.442	3.019	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C)CC[S@](C)=O)c1O	808706833	VYUVASWAIVIZHU-FDMGOTLNSA-N	303.855	3.162	10	20	DGCD	
C[C@@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])[C@H](C)[C@H]1C	399580811	HQZRKJYFTRWZTA-PWGZABRUSA-N	304.346	3.173	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3cccnc3C)C2)cc1	818221359	RELBGDPMGHQFFG-INIZCTEOSA-N	311.429	3.015	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H](C(=O)O)CC[C@H]2C)cc1F	817881424	RRPAVWBKWIJEAY-UKRRQHHQSA-N	322.424	3.357	10	20	DGCD	
Cc1nnc(CCN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)s1	810243366	NQQPUMQTCQXDJR-GZMMTYOYSA-N	307.394	3.072	10	20	DGCD	
CC[C@H](NCC1(N)CCC1)c1ccc(C(F)(F)F)cc1O	817964605	FOVBLDOXZXQNCL-LBPRGKRZSA-N	302.340	3.333	10	20	DGCD	
Cc1cc(O)c(CNc2nc3cc(Cl)ccn3n2)cc1C	811840223	SQWHAYAXAHRGDX-UHFFFAOYSA-N	302.765	3.317	10	20	DGCD	
Oc1c(CN2CCN(c3ccccn3)CC2)ccc2ccccc12	816481510	YYTGVCVYXVZBDA-UHFFFAOYSA-N	319.408	3.263	10	20	DGCD	
Cc1cc(OCC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)no1	817761009	JJZQERJCOWPRLY-UHFFFAOYSA-N	314.341	3.076	10	20	DGCD	
C[C@H](N[C@@H]1CCCNCC1)c1ccc(N2CCCCC2)cc1	817969086	QZRWJUPJVPJBPP-FUHWJXTLSA-N	301.478	3.470	10	20	DGCD	
CN1CCC[C@H](CSc2ncc(-c3ccccc3)n2C)C1=O	818382387	RYXUQVHNRYQBMD-CQSZACIVSA-N	315.442	3.048	10	20	DGCD	
COc1cc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)c([N+](=O)[O-])cc1OC	814922465	JVSUPGDFSCRDAM-CYDGBPFRSA-N	318.373	3.094	10	20	DGCD	
Cc1ccc(O)c(CN(C)C2CC(NC(=O)OC(C)(C)C)C2)c1	824733047	GUOQSRIURTXYOV-UHFFFAOYSA-N	320.433	3.188	10	20	DGCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@H](CO)c1ccccc1	824696393	MHCNTZVTEBXXHB-CQSZACIVSA-N	309.768	3.350	10	20	DGCD	
COc1cccc(CNC(=O)/C(F)=C/C2CCCCC2)c1O	825703341	QSILJOHKPBTJRO-UVTDQMKNSA-N	307.365	3.451	10	20	DGCD	
COc1ccc(CCC(=O)N[C@H](C)c2ccccc2O)cc1F	827922862	BCJRCAJQVWJZIM-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cc1	901901730	APFCONBUTPNSMF-ZWKOTPCHSA-N	316.445	3.075	10	20	DGCD	
CC[C@@H](N[C@@H](C)CC(=O)NC)c1ccc(Cl)c(Cl)c1O	834898924	CECOXCIRNDDCKH-GZMMTYOYSA-N	319.232	3.264	10	20	DGCD	
C[C@H](NC[C@H]1CCN1C)c1ccc(N2CCCCC2)c(F)c1	903323377	LPVLHZUPVKRZFV-GOEBONIOSA-N	305.441	3.171	10	20	DGCD	
CCOC1CC(CN2CCCc3cc(OC)cc(OC)c32)C1	839656174	IPGVJPUMSYHBRR-UHFFFAOYSA-N	305.418	3.272	10	20	DGCD	
Cc1csc([C@H](NC(=O)c2cc(O)cs2)C(F)(F)F)n1	833141575	DMWUPOAHTHUGHY-QMMMGPOBSA-N	322.333	3.252	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc(C(C)=O)cc1F	830395222	VVNLCDCODBEBAB-UHFFFAOYSA-N	306.289	3.461	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)[C@H](O)Cc2ccccc2)c1O	846157207	SAZTWQUGVAYBPN-JJRVBVJISA-N	315.413	3.044	10	20	DGCD	
CCS(=O)(=O)CC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	917648434	VUOARMYWYMGKBB-UHFFFAOYSA-N	319.426	3.020	10	20	DGCD	
CC(C)(C)c1csc(CCNC(=O)Nc2ccc(N)cc2)n1	841300532	RGYBDGMSWNXDNZ-UHFFFAOYSA-N	318.446	3.387	10	20	DGCD	
C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)c1ccncc1	845024494	CDRDLYYLZBWWJZ-NSHDSACASA-N	319.792	3.044	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1coc(C2CCC2)n1	846473954	OSRMPKDRGXLCPM-UHFFFAOYSA-N	306.749	3.231	10	20	DGCD	
CCc1cccc(CN2CCN(c3nc(C)cs3)CC2)c1O	848882060	WRNZZPGDEFUBGK-UHFFFAOYSA-N	317.458	3.042	10	20	DGCD	
CC(C)n1cc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1	747556086	NCXQYUVGRKAVAM-UHFFFAOYSA-N	315.421	3.194	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@@H]1C1CC1	840394012	LTWWQMYSOVDJBC-GDBMZVCRSA-N	302.418	3.360	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)Cn2ccccc2=O)c1C	917392602	BNWFLZIMADBMCT-UHFFFAOYSA-N	320.392	3.447	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](C2CCOCC2)C1	840915930	DBFXTAHDMHSJNN-SFHVURJKSA-N	302.462	3.310	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2ncc(C)s2)c1	858270984	SLROIBXJSQTKFT-NSHDSACASA-N	305.403	3.026	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cccc(F)c2)c1	756382455	DBNBFRYJTMEMSP-LLVKDONJSA-N	303.333	3.169	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1onc(C)c1[N+](=O)[O-]	852019465	ZJPOZSIGXSHFJX-UHFFFAOYSA-N	319.361	3.399	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	858199932	UWVGSGISPNPMIB-SLFFLAALSA-N	320.436	3.297	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@@H](CCc2ccccc2)C1	757994125	HFMSSXKCAMIMQQ-SFHVURJKSA-N	315.388	3.365	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C)[C@H](O)C(F)(F)F)c1O	866463169	KMENWGFHYRTGSS-SXMVTHIZSA-N	311.731	3.316	10	20	DGCD	
COc1ccc(O)c(CNCCC2CC(OC(C)(C)C)C2)c1	763625189	LHUHXIXTSJJRGA-UHFFFAOYSA-N	307.434	3.474	10	20	DGCD	
CCOc1ccc(CN2CC=C(C(F)(F)F)CC2)c(O)c1	769485244	MBBLZHNSWOOMRU-UHFFFAOYSA-N	301.308	3.485	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3C[C@H](OC)C3(C)C)CC2)cc1	766526916	FLGCZBVSIWQFRQ-MSOLQXFVSA-N	318.461	3.067	10	20	DGCD	
CC[C@@H](NC[C@@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1	766440726	YVBYIWHYBJKHKQ-MSOLQXFVSA-N	321.534	3.231	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3CCOC(C)(C)C3)C2)cc1	872079643	JVOMEQFHABNARE-CVEARBPZSA-N	318.461	3.069	10	20	DGCD	
CC[C@]1(C)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876782625	RABPJNMYGZGPPK-LJQANCHMSA-N	302.462	3.270	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@H](OC)C(F)(F)F)cc1	777007445	MMMQDERJPJWJEO-RISCZKNCSA-N	304.356	3.371	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCCO2)cc1	772029367	KVANPRVKGZYSNZ-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
CCn1cnc2c(N[C@@H](C)c3ccc(N(C)C)cc3)ncnc21	772299994	KBRREXSEQNNQKE-LBPRGKRZSA-N	310.405	3.085	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccn(C(F)F)n2)cc1	775662401	FRMSMGWKFMZOJZ-UHFFFAOYSA-N	322.359	3.054	10	20	DGCD	
c1ccc([C@@H](NCc2ccc3c(c2)CCO3)c2ncc[nH]2)cc1	783238892	UQLJTLXHMNVDMW-GOSISDBHSA-N	305.381	3.224	10	20	DGCD	
COc1ccc(CN(C)C2CC(OC(C)(C)C)C2)c(O)c1OC	894980353	IGYPPNUCMZYBLO-UHFFFAOYSA-N	323.433	3.187	10	20	DGCD	
C[C@H]1C[C@H](NCc2cnc3n2CCCC3)c2c(O)ccc(F)c21	793566234	SPQDRZPCXPHACJ-FZMZJTMJSA-N	315.392	3.402	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c1O	797541623	HMJILZNEKUFLIQ-MCIONIFRSA-N	320.433	3.272	10	20	DGCD	
CC(C)N(C)c1ccc(CN(C)c2ccc3c(c2)OCO3)cn1	792173331	AKENESFLOMBKRA-UHFFFAOYSA-N	313.401	3.291	10	20	DGCD	
Cc1ccc2nc(CNCc3ccc(N(C)C)cc3C)cn2c1	790545930	XZNQLCRTPDCPAF-UHFFFAOYSA-N	308.429	3.307	10	20	DGCD	
O=[N+]([O-])c1ccccc1CCNCc1c(O)ccc(Cl)c1F	790972845	KKSBVNMVBBFBBP-UHFFFAOYSA-N	324.739	3.425	10	20	DGCD	
C[C@H](CNCc1cc(F)c(N(C)C)cc1F)c1ccncc1	1348384042	QYEFJFRACFONNT-GFCCVEGCSA-N	305.372	3.319	10	20	DGCD	
O=C(O)[C@@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O	1608624560	JTWKUJRQIKGXST-MWLCHTKSSA-N	304.173	3.042	10	20	DGCD	
CCN1CCCc2cc(CNC[C@H](CC(C)C)C(=O)O)ccc21	1776875991	HWDUOPHNGVZTSA-KRWDZBQOSA-N	318.461	3.296	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2C[C@@H](C(=O)O)CC[C@H]2C)c(C)c1	1776856786	LIENOJQSXZKJDT-QIIPPGSGSA-N	318.461	3.430	10	20	DGCD	
C[C@H](N[C@H](C)c1nccs1)c1ccc(N2CCOCC2)cc1	153301469	ZJEWSIXKBZEAAJ-UONOGXRCSA-N	317.458	3.392	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(OC(F)F)cc2)cc1	15134686	TZPJKZKXXWZPCK-UHFFFAOYSA-N	320.339	3.284	10	20	DGCD	
Cc1ccccc1NC1=NC(=O)/C(=C\c2c(C)n[nH]c2C)S1	40114078	OQZAUHJYPMKHGK-RIYZIHGNSA-N	312.398	3.417	10	20	DGCD	
CNC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	40592906	CCNNGUHTDXAKQR-SNVBAGLBSA-N	303.233	3.130	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)Cc2cccnc2)c1O	50134342	MARLPKHBRYGRGX-UHFFFAOYSA-N	304.777	3.275	10	20	DGCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCC2)cc1	57512333	CQIUBRDRDFLRBI-GOSISDBHSA-N	316.445	3.060	10	20	DGCD	
COc1ccc(N2CCCN(Cc3nc(C)c(C)o3)CC2)cc1	66422923	NXVSMPYUDOOTPR-UHFFFAOYSA-N	315.417	3.012	10	20	DGCD	
CCOc1cccc(CNC[C@H](c2ccccc2)N(C)C)c1O	74334549	CRLPXBLWUJNVAY-QGZVFWFLSA-N	314.429	3.183	10	20	DGCD	
COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(Cl)ccc1O)N2	102418313	AIACIUAWQDZXCH-OAHLLOKOSA-N	318.760	3.251	10	20	DGCD	
C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)Cc1ccccc1O	111235924	OUVNTVASHQBXAA-HUUCEWRRSA-N	324.424	3.190	10	20	DGCD	
Cc1nnc(-c2ccccc2C(=O)N(C)Cc2ccccc2O)o1	126437131	VRXNKZZYNGKNCY-UHFFFAOYSA-N	323.352	3.023	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(C(F)F)c1	179091485	ILMPIJQZBYUPTF-UHFFFAOYSA-N	307.296	3.008	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2cnn(-c3ccccc3)c2)c1	179617970	SSPAUTVIHZDRAL-UHFFFAOYSA-N	323.396	3.219	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cn(C)nc1C(C)(C)C	183376282	VWSKKUJPVYFRAO-UHFFFAOYSA-N	314.477	3.416	10	20	DGCD	
O=C(Cc1ccoc1)N(Cc1ccco1)Cc1ccccc1O	184297581	BFZLHIDIKVQXML-UHFFFAOYSA-N	311.337	3.350	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](C)N2CCC(C)CC2)c1	185227428	CZFALPPDSJLXRN-CABCVRRESA-N	306.450	3.172	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2ccc(F)c(F)c2)c1	186000861	VRSYIIROIDRUTL-NSHDSACASA-N	323.339	3.409	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@H](C)c2ccc(N(C)C)cc2)cc1	191587803	HEDKTUSMSQFQRF-APWZRJJASA-N	312.457	3.315	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1cc(C)nc(COC)n1	269356907	LMFGNTCFMMEXLM-UHFFFAOYSA-N	314.433	3.024	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCC3(CCOCC3)C2)c1	271178328	KITOWADHMVPBKC-UHFFFAOYSA-N	305.418	3.184	10	20	DGCD	
CCC1(CN[C@H](C)c2cc(C(=O)OC)ccc2O)CCOCC1	273588379	OLPXCJXTVVFSSV-CYBMUJFWSA-N	321.417	3.036	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(C)cc1O	280062207	KMAJECFWZULCLQ-INMHGKMJSA-N	318.461	3.388	10	20	DGCD	
COC(C)(C)C(=O)CSc1ncc(-c2ccccc2)n1C	281058780	TZCBHCPGGFOQNS-UHFFFAOYSA-N	304.415	3.173	10	20	DGCD	
C[C@H]1COCC[C@H]1CNCc1cc(Cl)cc(Cl)c1O	285660380	ZAZCSHQZJIAJPC-UWVGGRQHSA-N	304.217	3.461	10	20	DGCD	
Nc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1	309942390	XTVAXSAFSBCBLN-SFHVURJKSA-N	324.428	3.055	10	20	DGCD	
C[C@@H]1CCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])[C@@H]1C	314964990	BAIFWHKRGMKPRW-WAIVJAFWSA-N	304.346	3.317	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCn3nccc32)c1C	367515191	YRPJWVVXLTWCDI-UHFFFAOYSA-N	320.396	3.259	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	528829551	YBWVVNVXOZKWGW-FHIRATQRSA-N	305.418	3.190	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)s1)NCc1ccc(O)c(O)c1	588401192	VWIBXIBDHKIYOT-UTCJRWHESA-N	309.774	3.142	10	20	DGCD	
CCOCCCCNCc1cc(Br)cc(F)c1O	715810398	APBJCKDYNBGXGH-UHFFFAOYSA-N	320.202	3.200	10	20	DGCD	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(O)cs2)cc1F	731910251	QGNNVPFGKUOYPM-VIFPVBQESA-N	323.345	3.085	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC[C@@H]2CCCC[C@H]2C)c1	734067053	GGEJIVQOSKRNOJ-KGLIPLIRSA-N	320.433	3.416	10	20	DGCD	
CCc1ncc(C(=O)NCc2ccc(N(C)C)cc2C)s1	734404473	GQDAEZOJZJQIHP-UHFFFAOYSA-N	303.431	3.010	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)NC2CCC(C)CC2)cc1	739924737	WGJSAMSPPGHXHL-UHFFFAOYSA-N	304.434	3.216	10	20	DGCD	
CC(C)CO[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1	742468582	MEWRONHMPIPDCM-INIZCTEOSA-N	318.461	3.354	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC1(CO)CCC1	752424353	DQQVHMAEXFWYAF-UHFFFAOYSA-N	318.442	3.048	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756639785	FAIHJBLLEOFNCT-NFAWXSAZSA-N	324.440	3.026	10	20	DGCD	
COc1ccc2c(c1)OC[C@@H](N[C@H](C)c1cc(F)ccc1O)C2	756774910	MHQHJKDBRNNKEE-RISCZKNCSA-N	317.360	3.194	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCCCS2)c1	757659775	ZJGGVUCOAFGFFP-YPMHNXCESA-N	309.431	3.115	10	20	DGCD	
COc1ccc(N2CCN([C@@H](C)c3ncc(C)o3)CC2)cc1F	771447907	OUDGWIGETHMFLM-ZDUSSCGKSA-N	319.380	3.014	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(CO)CCc3ccccc32)cc1	773810631	VMHZHQCAZUCQEZ-FQEVSTJZSA-N	310.441	3.066	10	20	DGCD	
CCCc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1	774138665	LRBUXBYBGCIDIH-LGMDPLHJSA-N	306.365	3.101	10	20	DGCD	
C[C@H](NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1	774252598	VLZPGRHKKQAGOK-HPZZRFSDSA-N	317.502	3.466	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](C(C)(C)C)C2)c1O	775061635	ZRSLEHGCHKJTTG-LBPRGKRZSA-N	308.378	3.177	10	20	DGCD	
COc1ccc(OC(C)C)c(NC(=O)c2cccc(O)c2O)c1	776652536	NPSRCQPJOLCVKF-UHFFFAOYSA-N	317.341	3.146	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cc(Br)cc(C)c2O)n[nH]1	779023026	BAZBBCPXAACPQE-SNVBAGLBSA-N	324.222	3.345	10	20	DGCD	
CC(C)C[C@H](NCc1cc(F)ccc1O)C(=O)OC(C)(C)C	779156389	NJLJXHAPUIXAKI-AWEZNQCLSA-N	311.397	3.377	10	20	DGCD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)o1	779500351	PAFGNXBVDBALKZ-UMCUBORVSA-N	313.353	3.144	10	20	DGCD	
CC(C)N(C)c1ccc(CNCc2ccc3c(c2)CCO3)cn1	790955797	ZSWKZEYNYOJIBC-UHFFFAOYSA-N	311.429	3.151	10	20	DGCD	
COC(=O)c1cccc(Cl)c1CN(C)Cc1ccccc1O	795957592	TWQRUETXHKBUAK-UHFFFAOYSA-N	319.788	3.464	10	20	DGCD	
C[C@H](O)CCNCc1ccc2c(c1)CCN2Cc1ccccc1	796308381	QFUYPCBLHCUELR-INIZCTEOSA-N	310.441	3.110	10	20	DGCD	
CC[C@H](NC[C@@H](O)COc1ccccc1)c1ccc(F)cc1O	796680634	XJZHWQYZCNCHJB-PBHICJAKSA-N	319.376	3.012	10	20	DGCD	
COC(=O)c1cc(CN2CCCCc3cc(OC)ccc32)c[nH]1	811508158	CZGYPLVANKFLFF-UHFFFAOYSA-N	314.385	3.153	10	20	DGCD	
CO[C@@H](C)[C@@H](C)NC(=O)c1sccc1-n1c(C)ccc1C	812347304	JVYLYUMSTRRNPU-OLZOCXBDSA-N	306.431	3.309	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCCCC(=O)C1	813454895	DIHUOWPTTYFOSP-HNNXBMFYSA-N	316.445	3.217	10	20	DGCD	
Cc1cc(CN2CCc3ccccc3[C@H]2CO)ccc1N(C)C	815073119	GIILUWXNKZIQBZ-HXUWFJFHSA-N	310.441	3.153	10	20	DGCD	
N[C@H](CN[C@@H](CCc1ccccc1)c1ccccc1O)C1CC1	817965334	OQWWYBPTDNICTF-MOPGFXCFSA-N	310.441	3.393	10	20	DGCD	
CC[C@H](NC[C@H](N)C1CC1)c1ccc(C(F)(F)F)cc1O	817965383	PVDCGRABTMDXCS-STQMWFEESA-N	302.340	3.189	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@@H]2CNC[C@@H]2C1)c1cc(Cl)ccc1O	817985295	BYIGQUJTXMWZDJ-FIRUKDTASA-N	308.853	3.474	10	20	DGCD	
CSc1cc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)o1	824670207	WFEMPGHRSNMPQV-UHFFFAOYSA-N	322.405	3.445	10	20	DGCD	
CO[C@@H]1CCN(Cc2cccc(Br)c2O)C[C@H]1C	824814619	BVYWRTIMJRFLGC-ZWNOBZJWSA-N	314.223	3.012	10	20	DGCD	
CCOCc1cc(CN[C@H](C)[C@H](OC)C2CC2)ccc1OC	825098205	CVASZTPKWONYPU-ACJLOTCBSA-N	307.434	3.135	10	20	DGCD	
O=[N+]([O-])c1cc(CN2CC[C@H]3C[C@@H]3C2)ccc1N1CCCCC1	827507013	RBJFPPPUDLILIG-JKSUJKDBSA-N	315.417	3.427	10	20	DGCD	
CN(C)c1ccc(/C=C/CN[C@@H](Cc2ccccc2)C(=O)O)cc1	840995942	XCMWEVWULYJASG-AIADIJKESA-N	324.424	3.051	10	20	DGCD	
C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1O	841747460	RATUTTALHGDXLG-ONGXEEELSA-N	322.758	3.333	10	20	DGCD	
CCc1noc(CC)c1CN[C@H](C)c1cccc(OC)c1O	846151325	WEHILGKLNBYAAX-LLVKDONJSA-N	304.390	3.364	10	20	DGCD	
C[C@@H](CC(=O)NCc1cc(Cl)ccc1O)c1ccncc1	846476816	QSUFGUHRZNFGNT-NSHDSACASA-N	304.777	3.251	10	20	DGCD	
COC(=O)Cc1ccccc1CN[C@@H](C)c1cc(F)ccc1O	848572169	GYOXYNAEKAJJRL-LBPRGKRZSA-N	317.360	3.098	10	20	DGCD	
CCc1cccc(CN2CCC([C@H](O)C(F)(F)F)CC2)c1O	848891041	WIOSBJVQWHKTKX-HNNXBMFYSA-N	317.351	3.090	10	20	DGCD	
CCOc1ccc(O)c(CNCC2CCN(CC3CC3)CC2)c1	850419962	IZKDOPJKKSYKRH-UHFFFAOYSA-N	318.461	3.003	10	20	DGCD	
CCc1nn(CN(C)Cc2ccc(N(C)C)cc2)c(=S)s1	853489054	YSOXMOVNJLLIRY-UHFFFAOYSA-N	322.503	3.392	10	20	DGCD	
CC[C@H](NC[C@H](C)CC1(C)OCCO1)c1ccc(F)cc1O	866427303	KAQTZHVDIZMTEK-DOMZBBRYSA-N	311.397	3.361	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC1CCN(c2ccccc2)CC1	882914332	OXIXABYMWRTXBX-UHFFFAOYSA-N	318.367	3.429	10	20	DGCD	
COc1ccc(CN2C[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)c(O)c1OC	894691994	MTUGRRABKULKAD-WMHQRMGPSA-N	315.413	3.053	10	20	DGCD	
O=C(O)CC[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1O	903697555	KCPDZJSLUJVBAC-LLVKDONJSA-N	315.772	3.404	10	20	DGCD	
CC(C)[C@H]1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	929531660	HTDWHYWEGMFINF-SJLPKXTDSA-N	318.461	3.162	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[C@H](F)C1	1118124132	VJYYFVZEQHLGPE-JKSUJKDBSA-N	317.408	3.143	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)N[C@@H]3C=CCCC3)cs2)cc1	1118283663	DLNNKAUMLHURIM-CQSZACIVSA-N	313.426	3.155	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21	1323875984	DKNWHUZCPQABSS-HLPPOEQASA-N	305.418	3.033	10	20	DGCD	
Cc1ccc(C(=O)N(CCc2ccccc2)C(C)C)c(O)c1O	1325076019	FNTXPSNGCVPTTC-UHFFFAOYSA-N	313.397	3.500	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N[C@H](c1ccc(N3CCCC3)cc1)N2	1349372877	ORVQCHYIOQURHT-GOSISDBHSA-N	307.397	3.449	10	20	DGCD	
CN(C[C@H]1CC(C)(C)OC1(C)C)c1ccc(OCC(=O)O)cc1	1606096834	QBZXFVXGEZRXFM-CYBMUJFWSA-N	321.417	3.180	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@H](C(=O)O)c2cccs2)c1O	1610462637	PKLDEWSPAUAAGR-LBPRGKRZSA-N	311.790	3.331	10	20	DGCD	
CC(C)C[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1	67911076	WQSITUMTHAQVLL-INIZCTEOSA-N	318.461	3.212	10	20	DGCD	
CCOc1cccc(CN2CCC(CCCN(C)C)CC2)c1O	93688498	LMYZKOVZJPTYBB-UHFFFAOYSA-N	320.477	3.345	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)c1O	105650995	QNSUQRHDOPBLHI-LBPRGKRZSA-N	317.360	3.035	10	20	DGCD	
CCC1(CC)[C@H](NC(=O)N(C)Cc2ccccc2O)C[C@H]1OC	123734057	DMMBXMOJXWXWKO-HZPDHXFCSA-N	320.433	3.127	10	20	DGCD	
COC(=O)CCC1CCN(Cc2c(O)cccc2Cl)CC1	124924963	KBSZHUYNQUOTIG-UHFFFAOYSA-N	311.809	3.211	10	20	DGCD	
Cc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2C)n1	126338576	RJTDXGXXMLAHJY-UHFFFAOYSA-N	300.362	3.285	10	20	DGCD	
CCC(CC)CNC(=O)NCCCSc1nccs1	153762119	IQJNBJRQRJSUMW-UHFFFAOYSA-N	301.481	3.361	10	20	DGCD	
c1cc2occc2c(NCc2ccc(N3CCOCC3)cc2)n1	156798974	XTOYKNPHPKMAOJ-UHFFFAOYSA-N	309.369	3.277	10	20	DGCD	
Cc1ncsc1CN(Cc1ccccc1O)C[C@@H]1CCCO1	160201565	AKAIBKJJJYGGQY-HNNXBMFYSA-N	318.442	3.338	10	20	DGCD	
C[C@@](O)(CNCc1cc(Cl)cc(Cl)c1O)c1ccco1	174532379	KRPCTVAKKFCLOQ-CQSZACIVSA-N	316.184	3.289	10	20	DGCD	
CC(C)C(=O)NCCN[C@H](C)c1ccc(N2CCCCC2)cc1	178226078	WFQOFRHPDQVIKB-MRXNPFEDSA-N	317.477	3.100	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)Cc1nncn1C	179641986	YKYDUVVGCGVGJR-HNNXBMFYSA-N	322.412	3.284	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cccc([N+](=O)[O-])c2C)c1	182432923	WBTAHSYGLHBVNC-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
Cc1csc([C@H](C)CNC(=O)N(C)Cc2ccccc2O)n1	186816053	WNEQOBYIUBTTBB-LLVKDONJSA-N	319.430	3.102	10	20	DGCD	
C[C@@H](NCC[C@](C)(O)c1ccccc1)c1cc(F)ccc1O	187904711	KZCGWMMDDDTUOU-ACJLOTCBSA-N	303.377	3.480	10	20	DGCD	
COC(=O)Nc1cccc(NCc2cc(OC)ccc2O)c1	237057135	PNHSLQOFQAQGSI-UHFFFAOYSA-N	302.330	3.191	10	20	DGCD	
CCC(=O)N1CC[C@H](NCc2cc(-c3ccccc3)ccc2O)C1	268569374	PZPUEAUVMUKOMM-SFHVURJKSA-N	324.424	3.160	10	20	DGCD	
CCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCOCC1	272289839	PHJYSLXIHLBJCI-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
Cc1nc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)sc1C	273609597	VIBVOGCRIBGFKA-SNVBAGLBSA-N	321.402	3.267	10	20	DGCD	
CC[C@H](NC[C@@]1(N(C)C)CCSC1)c1ccc(C)cc1O	280073922	LDXBCKSDMBKQJT-RDJZCZTQSA-N	308.491	3.179	10	20	DGCD	
Cc1noc(C(C)(C)NCc2ccc(N3CCCCC3)cc2)n1	284167619	WVVAGZHQGYDCGI-UHFFFAOYSA-N	314.433	3.393	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H]2[C@H]2CCCO2)c1O	284927539	GTQSVGNZBHWHMR-ZIAGYGMSSA-N	311.809	3.198	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)c2ccccc21	285429352	XOXAEFDMCDBFSF-INIZCTEOSA-N	309.365	3.111	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1O	286080791	LNOVCNOFXXNVIF-ZBFHGGJFSA-N	315.392	3.246	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O	289721565	JRAFFRCNDZSJDC-DOTOQJQBSA-N	321.392	3.123	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1ccc(F)c(F)c1O	290157010	DARSAOLTIPTFHH-MMPTUQATSA-N	307.340	3.443	10	20	DGCD	
Cc1ccoc1CNC(=O)NCc1c(O)ccc2c1CCCC2	291687433	DDKJQSWEWRIUFO-UHFFFAOYSA-N	314.385	3.172	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@](CO)(C(C)C)C2)c1	294147409	VFFPZHXLXJMTDE-GOSISDBHSA-N	307.434	3.021	10	20	DGCD	
CC[C@@H](NCc1nc(C2CC2)n[nH]1)c1cccc(Cl)c1O	296241640	CNINCCYERADRSD-GFCCVEGCSA-N	306.797	3.282	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ncc(C(F)(F)F)cn2)c(O)c1	296602412	VSTDMPHZEQURNO-JTQLQIEISA-N	311.307	3.360	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ncc[nH]2)c1O	376495652	PSFIDRXKPTUCCK-CQSZACIVSA-N	319.792	3.308	10	20	DGCD	
C[C@@H]1SCC[C@H]1NCc1c(O)cccc1Br	706871991	BAZPFESCJROXGZ-GZMMTYOYSA-N	302.237	3.138	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=S)Nc2ccccc2)c1	728793351	QXAMDJZEUHPTLE-LLVKDONJSA-N	302.399	3.448	10	20	DGCD	
Cc1ccc2oc(C(=O)NCc3ccc(N(C)C)cc3)cc2n1	729172521	YDTYFJUXGYRKDB-UHFFFAOYSA-N	309.369	3.132	10	20	DGCD	
CCCOc1ccc(CNC(=O)c2cc(O)cs2)cc1OC	732271754	RAEVFWUJUXVSSM-UHFFFAOYSA-N	321.398	3.181	10	20	DGCD	
C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(O)cs2)C1	732275822	CJCQNSZZZFFSDW-GXTWGEPZSA-N	316.426	3.019	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NC(C)(C)C)cc1	741678529	SWPLAYJLXIKOBL-OAHLLOKOSA-N	319.493	3.268	10	20	DGCD	
C[C@@H](CNC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1	745771180	HWVZNCRKAGHZID-LBPRGKRZSA-N	302.418	3.116	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(N(C)C)nc2)c2c(O)ccc(F)c21	756401436	PBVXXJQEBYWCRZ-SMDDNHRTSA-N	315.392	3.330	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2C[C@](C)(OC)C2(C)C)c1	756625384	KAAFRRRCVLKHEO-GYOIFBIXSA-N	321.417	3.033	10	20	DGCD	
C[C@H](N[C@@H](CO)CC1CC1)c1ccc(N2CCCCC2)cc1	773103837	LTIIGNWMGMEGLJ-MAUKXSAKSA-N	302.462	3.489	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCCC[C@H]2C)c1O	774982977	HHJHRSUXMNYVDV-VXGBXAGGSA-N	308.378	3.225	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1	775143839	CDRXSVDZGRJDNT-RNCFNFMXSA-N	323.742	3.181	10	20	DGCD	
CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1O	775499348	BWKLQXIHKAWVCX-OCCSQVGLSA-N	320.824	3.001	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(F)nc1)c1ccc(N(C)C)cc1	775680772	GGTVYIAWPDPUQS-NSHDSACASA-N	302.353	3.169	10	20	DGCD	
CC[C@@H]1CCCCN1C(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775834184	LFXOAGOETXMLMT-NVXWUHKLSA-N	317.477	3.194	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1cnc2c(c1)CCCC2	782658721	MXXFFVQASQSMOZ-UHFFFAOYSA-N	311.385	3.330	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnc2c(c1)CCCC2	782839308	KEQYVNNSWRPUNN-VURMDHGXSA-N	310.353	3.024	10	20	DGCD	
CC(C)N(C)CCN[C@@H](C)c1cccc(C(F)(F)F)c1O	788590233	UYTVXVUKIQYAHO-NSHDSACASA-N	304.356	3.402	10	20	DGCD	
CCn1cccc(CN[C@@H](C)c2cc(Cl)ccc2O)c1=O	788605931	TXUDDCNTYCYPOX-NSHDSACASA-N	306.793	3.078	10	20	DGCD	
Cc1ccc2c(c1)CCN(C(=O)NCc1ccc(N(C)C)cc1)C2	790120211	NSCSPEDMTGYBTF-UHFFFAOYSA-N	323.440	3.329	10	20	DGCD	
CCCCCn1nc(C)cc1NC(=O)c1cccc(O)c1O	790861241	LJJOSLISYGAJFT-UHFFFAOYSA-N	303.362	3.045	10	20	DGCD	
COc1ccc(CNC(=S)Nc2cc(C)ccc2F)c(O)c1	795030387	AJGSDSANYRCOID-UHFFFAOYSA-N	320.389	3.335	10	20	DGCD	
CC(C)CC[C@H](O)CN(Cc1ccccc1O)C[C@H]1CCCO1	796448951	KVEONPYLSXVPHK-ZWKOTPCHSA-N	321.461	3.170	10	20	DGCD	
CC(C)(CO)[C@H](NCc1cc(Cl)cc(F)c1O)C1CC1	811519121	UFSQQQHBSJKRDA-CQSZACIVSA-N	301.789	3.071	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@H](C)COC	812455042	VPQPZMLSKQRALA-HUUCEWRRSA-N	306.450	3.020	10	20	DGCD	
CN(C)c1ccc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1F	816665980	BHWGZONPNIWUKC-QZTJIDSGSA-N	304.409	3.035	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccn2cc(C)nc2c1	820880045	WTVARJXDXDENDY-UHFFFAOYSA-N	323.396	3.401	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccsn2)cc1	822269470	QHMOYEXYSLFZSW-UHFFFAOYSA-N	303.431	3.262	10	20	DGCD	
Cc1cccc(CN(C)C2CC(NC(=O)OC(C)(C)C)C2)c1O	824733105	HWVOMWAIIUTYHH-UHFFFAOYSA-N	320.433	3.188	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1cccc(Cl)c1O	827751354	TXMJYQKVVMEWQK-XJKSGUPXSA-N	311.809	3.257	10	20	DGCD	
Oc1ccccc1CN(CCc1cncs1)C[C@H]1CCCO1	839517337	SIHWCBNWYLVYHF-OAHLLOKOSA-N	318.442	3.072	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CO1	842776151	SESBLGMBKGKNAL-ZYHUDNBSSA-N	302.340	3.038	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@]3(CN)C2)cc1	844902458	NABXVOOTPUMDRG-HKUYNNGSSA-N	301.478	3.094	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)CN2CCC[C@H](C)C2)c1O	846143524	JGHAEFMHUYDTMS-KKUMJFAQSA-N	306.450	3.172	10	20	DGCD	
CN(CCCCOC(C)(C)C)c1ccc(OCC(=O)O)cc1	846280232	VTWMPAFOGUTNKA-UHFFFAOYSA-N	309.406	3.182	10	20	DGCD	
Nc1ccc(CCNC(=O)CCCc2c(F)cccc2F)cc1	848395010	PWEOOIHRLMXNGI-UHFFFAOYSA-N	318.367	3.229	10	20	DGCD	
CNC(=O)CC1(CN[C@H](C)c2ccc(F)cc2O)CCCCC1	850556598	ROMICEKUPDMGOQ-CYBMUJFWSA-N	322.424	3.269	10	20	DGCD	
CN(Cc1ccccc1O)Cc1cc(F)c(N(C)C)cc1F	862227447	BQDVMNGFKLREQE-UHFFFAOYSA-N	306.356	3.368	10	20	DGCD	
CN(CC1=CCSC1)Cc1c(O)cccc1Br	862417374	ARKZFOFUWILKOX-UHFFFAOYSA-N	314.248	3.260	10	20	DGCD	
Cc1cc(CNC(=O)[C@]2(C)CCOC2)c(C)n1-c1ccccc1	863165936	QCIRYIAFNOLFCS-LJQANCHMSA-N	312.413	3.137	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)c2ccccc2O)c1C	868792069	YMUFWATUSLRLNA-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1cccs1	876534191	PHJJMILTTKUQGJ-UHFFFAOYSA-N	316.470	3.341	10	20	DGCD	
CCC(CC)C(=O)N1CCC(NCc2c(C)cccc2O)CC1	876949676	VCIBJYLVUYMTNE-UHFFFAOYSA-N	318.461	3.217	10	20	DGCD	
COc1ccc(O)c(CNCCC2CCN(C(C)C)CC2)c1	877697457	NEUPOUYDUYKDBH-UHFFFAOYSA-N	306.450	3.001	10	20	DGCD	
C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1O	879648236	FYEMOLAMTREINZ-ACJLOTCBSA-N	310.397	3.063	10	20	DGCD	
C[C@H](NCc1cc(F)cc(F)c1O)[C@H]1CCCN(C2CCC2)C1	883085169	KGOKKKSHFVCPSP-STQMWFEESA-N	324.415	3.413	10	20	DGCD	
CSC1(CNC(=O)NCCc2ccc(N)cc2)CCCCC1	892039100	PATQIACNGRNRLT-UHFFFAOYSA-N	321.490	3.176	10	20	DGCD	
OCCCN(Cc1ccccc1)Cc1cc(F)cc(F)c1O	894003254	ICNNUDNAGQVDEA-UHFFFAOYSA-N	307.340	3.055	10	20	DGCD	
C[C@H](NCCCCN)c1cc(Br)cc(Cl)c1O	1118121248	CWCFRULZTMAMSI-QMMMGPOBSA-N	321.646	3.198	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@]2(C)CCC[C@@H]2C)cc1C	1133444773	ZKINSGPCLMXTMQ-HNAYVOBHSA-N	318.461	3.036	10	20	DGCD	
C[C@@]1(NCc2ccc(N3CCCC3)cc2)CCO[C@H]1C1CC1	1254572781	CNZWJWOWAJKIFO-RBUKOAKNSA-N	300.446	3.334	10	20	DGCD	
CCCOc1ccc(CNC(=O)NCc2ccc(N)cc2)cc1	1335679254	XERWVFSCIACXKD-UHFFFAOYSA-N	313.401	3.057	10	20	DGCD	
C[C@H](NCCCSc1nccs1)c1cncc(C(=O)O)c1	1593268920	WYULLLWIMFTEOU-JTQLQIEISA-N	323.443	3.069	10	20	DGCD	
CCCCC[C@H](NCc1cc(Cl)cc(OC)c1O)C(=O)O	1595683217	NBYJZKCZXYBUTN-LBPRGKRZSA-N	315.797	3.177	10	20	DGCD	
O=C(O)Cc1ccc(CNCc2cc(Cl)c(F)cc2O)cc1	1602121569	FCDYKOFYXLUPJJ-UHFFFAOYSA-N	323.751	3.102	10	20	DGCD	
CCN1CCCc2cc(CN[C@@]3(C(=O)O)CC[C@H](C)C3)ccc21	1776875990	HPSPFEDQCSXBKE-LIRRHRJNSA-N	316.445	3.192	10	20	DGCD	
COc1cc(OC)c(OC)cc1CN(C)Cc1ccccc1O	91974425	LSXSBPDMPTZKOU-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
CCOc1ccc(OCCN(C)Cc2ccccc2O)cc1	109771343	SBAQBAOMBKHHKE-UHFFFAOYSA-N	301.386	3.302	10	20	DGCD	
CCC(CC)[C@H](O)CNCc1cc(Br)ccc1O	111404438	LRHACHSRRNEGHD-CQSZACIVSA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(CNC(=O)NCCCSc2nccs2)cc1	115633161	JOASVEQMVPHFJU-UHFFFAOYSA-N	321.471	3.433	10	20	DGCD	
Cc1cc(C(=O)NCC[C@H](C)O)c(C)n1-c1ccc(Cl)cc1	118718002	OQYVSRLXBVKWIK-LBPRGKRZSA-N	320.820	3.248	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	121505797	HQXVMYYWOHAXKK-AEFFLSMTSA-N	313.445	3.441	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2CCC(C)CC2)cc1Cl	121917866	QRSPJNFVLPONQX-UHFFFAOYSA-N	310.825	3.043	10	20	DGCD	
CN(C)c1ccc(CNc2ccc3c(c2)NC(=O)CS3)cc1	122145208	MYRJACTUZNZEAF-UHFFFAOYSA-N	313.426	3.409	10	20	DGCD	
CCc1ncc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1	127405596	DJYMTWQPDIIBIP-UHFFFAOYSA-N	321.384	3.094	10	20	DGCD	
C[C@@H](NCCCOCC1CCOCC1)c1ccc(N(C)C)cc1	157455983	XGWCOCDMFNOVLE-MRXNPFEDSA-N	320.477	3.237	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3[nH]ccc23)c1	176152293	LEDBYJCZXRAGDL-LLVKDONJSA-N	310.353	3.373	10	20	DGCD	
C[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1ccccc1O	183434910	XUAJOMBCYFAFTG-HNNXBMFYSA-N	324.424	3.365	10	20	DGCD	
C[C@@H](NCc1cccc(Cn2cccn2)c1)c1ccccc1O	183435519	MIABNFOESBAMJB-OAHLLOKOSA-N	307.397	3.488	10	20	DGCD	
Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C)cc2O)c1	185129793	VXDPZPWAFMSLNX-HOTGVXAUSA-N	315.413	3.100	10	20	DGCD	
CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(O)c1O	185712949	VWJHVXLBIRIOMM-CQSZACIVSA-N	300.358	3.106	10	20	DGCD	
CCN(CC)c1ccc(CN2CC=C(COC)CC2)cc1F	187615875	ZFZPSBGQJVZGQM-UHFFFAOYSA-N	306.425	3.450	10	20	DGCD	
C[C@H]1CCCC[C@@H]1CNCc1ccc(N2CCOCC2)cc1	237537982	GHTUMSXTVDSBBQ-FUHWJXTLSA-N	302.462	3.439	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1csc(C(C)(C)C)n1	263825540	WDYUWGVXFXJQPV-UHFFFAOYSA-N	304.415	3.418	10	20	DGCD	
CCCOc1ccc(CNC[C@@](C)(O)c2cccs2)c(O)c1	265819188	XOQMYDWGKQEIRV-QGZVFWFLSA-N	321.442	3.240	10	20	DGCD	
C[C@H](CCO)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	268973920	ZVVXALMBPPRVOV-HUUCEWRRSA-N	308.441	3.485	10	20	DGCD	
COc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c(OC)c1	273472135	JUXDPFGXHDMKCM-JTQLQIEISA-N	318.329	3.491	10	20	DGCD	
C[C@@H](N[C@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1O	273596411	QTDZKRZUGYDOMD-MLGOLLRUSA-N	316.357	3.075	10	20	DGCD	
Oc1ccc(Br)cc1CNCC1CC(F)(F)C1	291750885	QDAAGDVEYGIVJV-UHFFFAOYSA-N	306.150	3.290	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)CCCN)c(C)n1-c1ccc(F)cc1	295142460	BULWIQWPTNSKAL-GFCCVEGCSA-N	317.408	3.090	10	20	DGCD	
Oc1cccc2c1[C@@H](NC1CCN(Cc3ccncc3)CC1)CC2	296123259	VLIQDSRVMCTMRK-SFHVURJKSA-N	323.440	3.029	10	20	DGCD	
C[C@@H]1CCc2c(sc(NC(=O)CC(C)(C)C(=O)O)c2C#N)C1	316143241	VHAJSPDMBQOFJV-SECBINFHSA-N	320.414	3.184	10	20	DGCD	
C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1O	370373364	JBCBKOOKPVNZDC-PXAZEXFGSA-N	300.377	3.369	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H]2OCCc3ccccc32)c1	371546738	NZKZLFSYQPNCOK-ORAYPTAESA-N	313.397	3.365	10	20	DGCD	
COc1cc(Cl)cc(CN2CCOCC3(CCC3)C2)c1O	371881446	ICLQJLRXXMQTRI-UHFFFAOYSA-N	311.809	3.057	10	20	DGCD	
CN(c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])C1CC(C)(C)C1	395537470	YHWQFLCDBLTLHY-ALCCZGGFSA-N	304.346	3.317	10	20	DGCD	
CCC(CC)[C@H](O)CNCc1ccc(Br)cc1O	691489104	PSSWIIHDMKGBHT-CQSZACIVSA-N	316.239	3.041	10	20	DGCD	
O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(O)cs1	732277524	JQWFQISGTDXCLQ-BBRMVZONSA-N	317.410	3.351	10	20	DGCD	
CC(C)COc1ccc(CCNC(=O)c2cc(O)cs2)cc1	732289908	ZIFCKTMASBAHLA-UHFFFAOYSA-N	319.426	3.461	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](OC)C(F)(F)F)cc1	733329581	VTKKUSMDDDKEEO-CQSZACIVSA-N	304.356	3.200	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC1CCCCC1	742711022	KUNHLILLWLHQHJ-UHFFFAOYSA-N	302.418	3.403	10	20	DGCD	
CN(C(=O)c1cc(O)cs1)[C@@H]1CCCN(c2ccccc2)C1	743415852	BTYZSLRHNVPKAK-CQSZACIVSA-N	316.426	3.195	10	20	DGCD	
COC[C@@H](Cc1ccccc1)NCc1cc(Cl)ccc1O	747100817	VQPJNWQBAZMXIH-MRXNPFEDSA-N	305.805	3.393	10	20	DGCD	
Cc1nnccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	753018697	IYPOWQIAPPTLJO-UHFFFAOYSA-N	324.428	3.048	10	20	DGCD	
CCNC(=O)C1(CN[C@H](CC)c2cc(Cl)ccc2O)CCC1	754106665	SFUPDCYXSFGROW-CQSZACIVSA-N	324.852	3.393	10	20	DGCD	
CC(=O)Nc1cccc(CN[C@H](C)c2cc(F)cc(F)c2O)c1	756412093	SBPJHMLLGHPVLG-SNVBAGLBSA-N	320.339	3.480	10	20	DGCD	
C[C@@H](NC[C@@H](CO)Cc1ccco1)c1cc(Cl)ccc1O	756661336	RANFJMOBFADVSO-NEPJUHHUSA-N	309.793	3.140	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cccnn3)c2C)c1	768020505	OIMDNFIVPSVONW-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
CC(C)C[C@@H]1CCCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768463624	KNAQKBBHTFTBLD-YOEHRIQHSA-N	305.418	3.219	10	20	DGCD	
CCOC1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	773631827	YKGAFXVFUMFWKU-AWEZNQCLSA-N	319.449	3.024	10	20	DGCD	
CO[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	776240412	VNXCJMHPXKSCNV-YOEHRIQHSA-N	319.449	3.024	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2coc(C3CC3)n2)cc1	776788568	PDNNDQITABVNJB-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2CCCOc3ccccc32)s1	779452452	XJXWZADSBYZGHK-FPLPWBNLSA-N	300.383	3.280	10	20	DGCD	
Cc1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1Cl	784363723	IWUPQKLFSMYHBC-UHFFFAOYSA-N	320.728	3.099	10	20	DGCD	
CCOC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C	788834733	YCHKGLAAEASJPN-YOEHRIQHSA-N	321.465	3.174	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCCO1	792805523	IAMSZBZKXOCHQC-LBPRGKRZSA-N	316.367	3.382	10	20	DGCD	
CC[C@@H](N[C@@H](C)CC(N)=O)c1cc(Cl)cc(Cl)c1O	806142819	GBZCKEKJYIQFDQ-WRWORJQWSA-N	305.205	3.004	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1F	811518807	PDRVANVDLKJNCF-ROUUACIJSA-N	318.436	3.425	10	20	DGCD	
C[C@@H](NCc1cc(Br)ccc1O)c1ccnc(O)c1	815148064	KSZIBEMIWFJLEF-SECBINFHSA-N	323.190	3.106	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNc1ccc(-n2ccnn2)cc1	816526035	QVYXYQXFENKKLS-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
OCc1ccc(CCNCc2cc(Cl)c(F)cc2O)cc1	816560007	BPPIKYMXYUXUKA-UHFFFAOYSA-N	309.768	3.009	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)c3nccs3)C2)cc1	818343221	ZRHUJVOSQBDAIY-KBPBESRZSA-N	317.458	3.329	10	20	DGCD	
CN(C)c1ccc(CN(C[C@@H]2C[C@H]3CC[C@H]2O3)C2CC2)cc1	827442710	QOYKJFABKMCGPK-KFKAGJAMSA-N	300.446	3.285	10	20	DGCD	
CCCC[C@@H](CC)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832272525	GLYNJLLAEIZMKY-CRAIPNDOSA-N	319.493	3.475	10	20	DGCD	
CNC(=O)c1cccc(NCc2ccc(N(C)C)cc2C)c1C	840920345	HXRYBVDMONBCDS-UHFFFAOYSA-N	311.429	3.341	10	20	DGCD	
Cc1ccc(N)cc1NC(=O)NCCCSc1nccs1	841315713	LVHRTVYSCNYQEE-UHFFFAOYSA-N	322.459	3.338	10	20	DGCD	
COc1ccccc1NC[C@@H](O)COc1c(C)ccc(C)c1C	844153533	WPFAZNYMGTXYAA-MRXNPFEDSA-N	315.413	3.472	10	20	DGCD	
CCn1cc(CN(Cc2cc(OC)c(C)cc2O)C(C)C)cn1	844737985	VFROHURQZFKLRP-UHFFFAOYSA-N	317.433	3.336	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2ccc(CN)cc2F)c(O)c1	844922942	FIZXOIUEXSVKIM-CYBMUJFWSA-N	302.393	3.458	10	20	DGCD	
C[C@H](NC(=O)NC1CC2(CCC2)C1)c1ccc(N(C)C)cc1	845125917	REVACXGAQHXZJW-ZDUSSCGKSA-N	301.434	3.446	10	20	DGCD	
COc1cccc([C@H](C)Nc2ccc(OC3COC3)cc2)c1O	846166142	QTXODLOVURWQGB-LBPRGKRZSA-N	315.369	3.352	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCCn2ccnc21	848554339	YROQALIMEGJDPL-MAUKXSAKSA-N	312.461	3.313	10	20	DGCD	
CC[C@@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1O	850553884	ALMHKVAQDNCQKW-IUODEOHRSA-N	322.424	3.219	10	20	DGCD	
CCO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	858341667	KCGVUZMTYAYGJG-SFHVURJKSA-N	316.445	3.059	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H]2CCCN2CC(F)F)c(O)c1C	858479541	UUNCDOCMQSHQEC-KGLIPLIRSA-N	312.404	3.389	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCCO3)c1	860566329	VYMBVGIYLMSNGC-UHFFFAOYSA-N	312.369	3.347	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	862130038	ACQFUJGVOCNPCN-BHYGNILZSA-N	313.784	3.248	10	20	DGCD	
Cc1cnn(C)c1C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863163860	RMAXTTQKIPTMJX-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1	877122019	FJKBABNMMXNUMW-ZSEKCTLFSA-N	303.427	3.289	10	20	DGCD	
C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1ccccc1O	879650063	ZIVFGSXTDRHIGW-TZMCWYRMSA-N	321.804	3.136	10	20	DGCD	
COc1ccc(CN(CC(C)C)CC(F)(F)F)c(O)c1OC	891717315	DBISXERRBOICLU-UHFFFAOYSA-N	321.339	3.430	10	20	DGCD	
CCC[C@]1(COC)CCCN1Cc1ccc(OC)c(OC)c1O	894077890	WRJQTYCWKKOHRZ-GOSISDBHSA-N	323.433	3.191	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H]2CCCO2)cc1	914719891	MSNFFTPXRCPGLR-SFHVURJKSA-N	318.461	3.450	10	20	DGCD	
CC(=O)Nc1cccc(CNCc2ccc3c(c2)CCCO3)c1	921532863	NUNXHLIFAKAOCY-UHFFFAOYSA-N	310.397	3.260	10	20	DGCD	
C[C@@H](C[C@H](O)c1ccco1)NCc1ccc2c(c1)CCCO2	921947560	RLFLUIPGXOYHTP-BBRMVZONSA-N	301.386	3.206	10	20	DGCD	
O=C(CSC(F)(F)F)Nc1c(Cl)ccc2nonc12	1321389383	WUXZDXFKUZZJNM-UHFFFAOYSA-N	311.672	3.068	10	20	DGCD	
Cc1nccn1C[C@H](C)CNCc1ccc(N2CCCC2)cc1	1321650994	RUQWAAJLISPWDS-MRXNPFEDSA-N	312.461	3.218	10	20	DGCD	
Cc1c(F)cc(Cl)c2c1CCCN2C(=O)C1=CC[C@H](N)C1	1579537370	PEFVSPDKCAIPNH-NSHDSACASA-N	308.784	3.114	10	20	DGCD	
CC(C)Oc1ccc(NC(=O)c2cc(O)cs2)c(C(=O)O)c1	1591788304	ZUCOIMXEEWTCEX-UHFFFAOYSA-N	321.354	3.191	10	20	DGCD	
CN(C)c1ccc(/C=C/CNCc2ccc(C(=O)O)cc2)cc1	1593709016	PCZGTJBHSBMQFP-ONEGZZNKSA-N	310.397	3.254	10	20	DGCD	
CCN1CCCc2cc(CNC[C@H](CC3CC3)C(=O)O)ccc21	1776876129	XTKNYHHKDHXWSD-KRWDZBQOSA-N	316.445	3.050	10	20	DGCD	
COc1ccsc1C(=O)NCc1ccc(N(C)C)cc1C	115280957	FWSKKTJTRCBADH-UHFFFAOYSA-N	304.415	3.061	10	20	DGCD	
CC(C)CCN(C)C(=O)NCc1ccc2c(c1)CCCN2C	57661336	UKOLARFLGRMDBF-UHFFFAOYSA-N	303.450	3.257	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1ccccc1OC(F)F	118494124	QVZILOJEUIYJTG-UHFFFAOYSA-N	321.323	3.195	10	20	DGCD	
CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc2ccccc2c1O	186030066	IKAQBBSDGANPMQ-QWHCGFSZSA-N	321.442	3.019	10	20	DGCD	
Cc1cc(CCCC(=O)NCc2ccc(O)c(O)c2)c(C)s1	182513537	VCGGQXQBWKLLPV-UHFFFAOYSA-N	319.426	3.415	10	20	DGCD	
CC(C)COc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1	182542452	VIMIATOVDMKHRN-UHFFFAOYSA-N	315.369	3.063	10	20	DGCD	
C[C@@H](NCCN(C)Cc1ccc(F)cc1)c1ccccc1O	183544339	IVKJKFJGOTXFMM-CQSZACIVSA-N	302.393	3.314	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2	185511632	UCYNBXSPWZZTNT-NVGCLXPQSA-N	309.475	3.034	10	20	DGCD	
CCc1onc(C)c1NC(=O)NCc1ccc(N(C)C)c(F)c1	89418476	MSKIZOCDIGDBCB-UHFFFAOYSA-N	320.368	3.072	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CCC2(CCCC2)C1	93336606	NDCRTEVBWYPUBQ-UHFFFAOYSA-N	300.446	3.289	10	20	DGCD	
CCn1nncc1CN[C@H](C)c1ccc(Cl)c(Cl)c1O	527918860	FERLAAWUBVTELD-MRVPVSSYSA-N	315.204	3.161	10	20	DGCD	
COc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2)cc1O	289866179	RXQPPLPRJSMJBY-CYBMUJFWSA-N	300.402	3.318	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1ncnn1CC(C)C	282354125	CVEGMUKCHDNUFF-UHFFFAOYSA-N	316.449	3.442	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCCC2CCOCC2)cc1F	281749517	DWQXQEULKRDYEV-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
Cc1ccoc1CNC(=O)NCc1ccc(N2CCCC2)cc1	291597771	IFYCVHNHIZIQBB-UHFFFAOYSA-N	313.401	3.188	10	20	DGCD	
CCN(C)C(=O)OC[C@H]1CCCCN1Cc1cccc(C)c1O	809722553	BQCWKCHJPGHARQ-MRXNPFEDSA-N	320.433	3.143	10	20	DGCD	
CCCCN(Cc1ccccc1O)c1ncnc2onc(C)c12	800887567	XTKXUGOHRXQDEU-UHFFFAOYSA-N	312.373	3.439	10	20	DGCD	
NC(=O)CC[C@H]1CCCN(Cc2ccc3ccccc3c2O)C1	816498752	KMGXJXXNFSBBIJ-CQSZACIVSA-N	312.413	3.023	10	20	DGCD	
CC[C@H](N[C@@H](C)C1(OC)CCOCC1)c1ccc(F)cc1O	817588847	RSNGNSFJZZAJNV-WFASDCNBSA-N	311.397	3.156	10	20	DGCD	
CC1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1	817904016	OZKDNKMAGVCVTH-UHFFFAOYSA-N	315.442	3.188	10	20	DGCD	
O[C@@H](CNc1ccccc1OCC(F)F)Cc1ccccc1	819460149	FQINYDVOWGTGSV-CQSZACIVSA-N	307.340	3.346	10	20	DGCD	
Cc1cc(CN[C@@H](C)[C@@H]2CCOC2)ccc1N1CCCCC1	828846624	MCLSRYKJBRBYRV-FUHWJXTLSA-N	302.462	3.500	10	20	DGCD	
CCOc1cccc(CN[C@@H](C(C)C)[C@H](CO)C(C)C)c1O	824844856	DVHCTGNKAKXHAK-WBVHZDCISA-N	309.450	3.170	10	20	DGCD	
Oc1cc(Br)ccc1CN1CCC[C@@H]1c1ncc[nH]1	825513248	FIYOBLLDUKRMQK-GFCCVEGCSA-N	322.206	3.215	10	20	DGCD	
CC(C)c1ncsc1C(=O)NCc1ccc(N(C)C)c(F)c1	822863177	MSHDVASXWHCHCU-UHFFFAOYSA-N	321.421	3.402	10	20	DGCD	
OC[C@@H](C1CC1)[C@H](NCc1c(O)ccc(Cl)c1F)C1CC1	824845087	HNXBHQFEEQAMJC-BLLLJJGKSA-N	313.800	3.071	10	20	DGCD	
NCC1(c2ccccc2)CCN(Cc2cccc(F)c2O)CC1	904458175	CCRNRLDEHOJPKN-UHFFFAOYSA-N	314.404	3.024	10	20	DGCD	
COC(=O)CC(C)(C)NCc1ccc(N2CCCCC2)c(C)c1	828384218	FJFCRWTUAYJLGB-UHFFFAOYSA-N	318.461	3.417	10	20	DGCD	
C[C@H](N[C@@H]1Cc2ccccc2[C@H]1N)c1cc(Cl)ccc1O	902435145	AEGGTAZZGJDFKL-UDTVLSCZSA-N	302.805	3.321	10	20	DGCD	
O=C(c1cccc2c1CCNC2)N1CC2(CCC2)c2ccccc21	662809433	HBAYNGVNGAUYDS-UHFFFAOYSA-N	318.420	3.414	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@H]1CCc2cccc(O)c21	834761969	WLKBWKVIZWWGOX-ZBFHGGJFSA-N	301.386	3.210	10	20	DGCD	
C[C@]1(NC(=O)NCCCSc2nccs2)CC=CCC1	838515587	XNVLGINIOOFJOK-AWEZNQCLSA-N	311.476	3.423	10	20	DGCD	
CCN(CCNC(=O)c1cc(O)cs1)c1cccc(C)c1	731861753	MRCZYYAPVNCWKX-UHFFFAOYSA-N	304.415	3.018	10	20	DGCD	
CCCCC[C@@H](C)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832274055	RKOZZOLZTMLQRA-CRAIPNDOSA-N	319.493	3.475	10	20	DGCD	
C[C@H](Oc1ccccc1)C(=O)NCc1ccc2c(c1)CCCN2C	746809349	WFCMNWSXXNWSFR-HNNXBMFYSA-N	324.424	3.153	10	20	DGCD	
CCc1ccccc1NC(=O)CN1CCCc2cc(CN)ccc21	843349877	LIFOSCDJOSEYEQ-UHFFFAOYSA-N	323.440	3.099	10	20	DGCD	
CC(=O)Nc1cccc(NC(=S)NNc2ccc(F)cc2)c1	913141298	MOTBYBUWQZPGGJ-UHFFFAOYSA-N	318.377	3.098	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cccc(OC)c2O)cc1F	846137607	UHFRRWSWYITFDV-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCSC2)c(C)n1-c1ccc(F)cc1	742777831	HGIVMQMDCGSNAZ-AWEZNQCLSA-N	318.417	3.469	10	20	DGCD	
CCOc1ccc(O)c(CN2CC3(CCOCC3)C[C@H]2C)c1	843432150	RFMHRFYTHZTPNB-CQSZACIVSA-N	305.418	3.182	10	20	DGCD	
CC(C)[C@H](CN[C@@H](C)c1cc(F)cc(F)c1O)N1CCCC1	756398183	CUJBYOIOEBKIDN-LRDDRELGSA-N	312.404	3.441	10	20	DGCD	
CCN(C[C@H](O)Cc1ccccc1)c1ccc(OC)c(OC)c1	921061789	LVLOXLOMQZQQRQ-QGZVFWFLSA-N	315.413	3.134	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCc2sccc2C)c1	756788959	ZLBJWKVRYPMKSV-GFCCVEGCSA-N	319.426	3.442	10	20	DGCD	
CCOc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)c(O)c1	922703413	VRLXSIVCQIAUFU-ZDUSSCGKSA-N	313.397	3.404	10	20	DGCD	
C[C@@H]1[C@H](c2ccccc2)CCN1Cc1cc2c(cc1O)OCO2	751605004	NTJJEGMGRFCIRP-CZUORRHYSA-N	311.381	3.499	10	20	DGCD	
CCOC(=O)c1cnc(NCc2ccc(N(C)C)c(F)c2)s1	853241264	QHRDHZIDXKENBF-UHFFFAOYSA-N	323.393	3.137	10	20	DGCD	
O=C(O)Cc1ccccc1CNCc1c(O)ccc(Cl)c1F	756300073	IUTSFVZPADYSED-UHFFFAOYSA-N	323.751	3.102	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C(F)(F)F)O1	769497559	QZAPBZQQNISMCA-IINYFYTJSA-N	320.330	3.043	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCCN(C2CCCC2)CC1	769209707	SUXMSBYMMFSWOH-UHFFFAOYSA-N	308.853	3.496	10	20	DGCD	
CCN(C(=O)[C@@H](C)N[C@H](C)c1ccccc1O)c1ccccc1	879647389	BOTGZJPNQAIDDV-HUUCEWRRSA-N	312.413	3.484	10	20	DGCD	
C[C@@H](NCC(=O)N1c2ccccc2CC[C@H]1C)c1ccccc1O	879647525	COUGPMPODFGINX-HUUCEWRRSA-N	324.424	3.411	10	20	DGCD	
Cc1cn2nc(N[C@H](C)c3ccc(N(C)C)cc3)sc2n1	772302030	ZPRMOGRQGDYVCA-LLVKDONJSA-N	301.419	3.338	10	20	DGCD	
CC[C@@H](NCCCN1CCCCC1=O)c1cc(Cl)ccc1O	775502873	XKJQSRXPBJHFET-OAHLLOKOSA-N	324.852	3.489	10	20	DGCD	
CN1CCCc2cc(CNC(=O)C(C)(C)c3cccnc3)ccc21	770481630	QTDNUQOEKRRARA-UHFFFAOYSA-N	323.440	3.058	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1cccs1)C1CC1	779492070	BJYREFZSGNLDEN-AUNFYEFLSA-N	315.394	3.440	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cncc2ccccc12	779543230	VYSSQMVMDKZXRE-VURMDHGXSA-N	306.321	3.298	10	20	DGCD	
C[C@H](NCCCCCCCO)c1ccc(N2CCOCC2)cc1	775262351	ZYDOTYCHLOCJEX-KRWDZBQOSA-N	320.477	3.117	10	20	DGCD	
CCOC1CC(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	788967185	QJUGANXKCIVTSJ-TUBUQKNSSA-N	304.434	3.135	10	20	DGCD	
CCCn1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C	1120637503	PKLAGEMIFFBMFO-ZDUSSCGKSA-N	314.433	3.159	10	20	DGCD	
CCC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCCC1	784733708	DJELEDKBSMEKGH-UHFFFAOYSA-N	306.358	3.184	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1[C@H]1CCCO1)CCCC2	789500071	BZPDCUJLXWFVAS-PKOBYXMFSA-N	301.430	3.414	10	20	DGCD	
Cc1cc(O)c(CNCc2cc(C3CC3)nn2C)cc1Cl	897224532	RKUOMHIJZBXHCD-UHFFFAOYSA-N	305.809	3.255	10	20	DGCD	
CC[C@@H](NCCc1ccc(CO)cc1)c1ccc(F)cc1O	796855894	RPJFTIRPXMUOJA-QGZVFWFLSA-N	303.377	3.307	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(Cl)c(F)c2)c(O)c1	794377052	FFWWFEHYKHCQLY-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)c2nccn2C)c1	791248772	SGRYXHCBOOQAOL-UHFFFAOYSA-N	322.412	3.413	10	20	DGCD	
Cc1c(CNC(=O)c2cccc(O)c2O)oc2ccc(F)cc12	790580375	ORAIKBUXJJXJJP-UHFFFAOYSA-N	315.300	3.222	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@H](F)C2)c1	1328144025	YOWXWVHFWQWICV-SDDRHHMPSA-N	310.369	3.042	10	20	DGCD	
CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(N)cc1	1337838560	PEUDSJMSHULDTJ-SFHVURJKSA-N	312.413	3.395	10	20	DGCD	
Cc1c([C@H](C)N[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)cnn1C	1254720967	DVZUUCSGHONERI-BFVZDQMLSA-N	303.381	3.472	10	20	DGCD	
COC(=O)[C@](C)(NCc1ccc(OC)c(C)c1)c1ccccc1	1331743164	KPVCCORIZOBSOJ-LJQANCHMSA-N	313.397	3.182	10	20	DGCD	
Nc1ccc(CNC(=O)N(Cc2ccccc2F)C2CC2)cc1	1357792177	UIOUHTODIYYXBK-UHFFFAOYSA-N	313.376	3.282	10	20	DGCD	
CC(C)(CCC(=O)O)NCc1cc(Cl)cc(Cl)c1O	1609674240	AOUWFJTXTRLNTQ-UHFFFAOYSA-N	306.189	3.432	10	20	DGCD	
Cc1ccoc1CN(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1600608386	YUBGCVGVCRIPRZ-XQRVVYSFSA-N	316.313	3.230	10	20	DGCD	
C[C@@](NCc1cc(Cl)cc(F)c1O)(C(=O)O)c1ccccc1	1589129594	VKEFIGATTWGINZ-INIZCTEOSA-N	323.751	3.274	10	20	DGCD	
CO[C@@H](C1CC1)[C@H](C)NCc1ccc(Br)cc1O	701119990	WDMNQOLEHOSCBE-LKFCYVNXSA-N	314.223	3.058	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCC2(NC(=O)OC(C)(C)C)CC2)c1	903239118	INEUUJVHVJAUFR-ZDUSSCGKSA-N	320.433	3.409	10	20	DGCD	
CCc1cccc(OC[C@H](O)CNc2ccccc2OC)c1	32186256	UINPUZUVUGUBTM-OAHLLOKOSA-N	301.386	3.109	10	20	DGCD	
COc1ccc(-c2nc(CSc3nccs3)no2)cc1	52914614	XHLHSEINQQVRSO-UHFFFAOYSA-N	305.384	3.494	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N1CCCCC1	76074234	LIMHURPOIQMMJB-HNNXBMFYSA-N	304.434	3.005	10	20	DGCD	
CCOCc1cc(CN[C@H](COC)c2ccco2)ccc1OC	80239333	XFSXHEVUELIXKX-MRXNPFEDSA-N	319.401	3.302	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCc3ccccc32)cc1	111419577	FBHQCDHTIXODDR-QGZVFWFLSA-N	323.440	3.282	10	20	DGCD	
CCC(C)(C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	120037400	MIRYKZAKEVVMNQ-UHFFFAOYSA-N	319.449	3.152	10	20	DGCD	
C[C@@H](NCCc1cnn(C)c1)c1ccc(N2CCCCC2)cc1	127780476	IUPRTHPXHMWWPO-MRXNPFEDSA-N	312.461	3.304	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1	170870421	YBQBDUNAJQGSBO-UHFFFAOYSA-N	322.412	3.111	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1COc2ccccc21	172013126	DTDKULDJMRARJO-GOSISDBHSA-N	322.408	3.079	10	20	DGCD	
CCNC(=O)COc1ccc(N[C@H](C)c2ccccc2O)cc1	183649034	MJSNAKPJERHECE-CYBMUJFWSA-N	314.385	3.080	10	20	DGCD	
CCCCOCCNC(=O)c1cc(C)n(-c2ccccn2)c1C	195111951	IDFWPOSBTUEGJH-UHFFFAOYSA-N	315.417	3.036	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2ccc(OC)cc2O)C1(CC)CC	236879137	SQAQWNGWIIWHPU-IAGOWNOFSA-N	307.434	3.474	10	20	DGCD	
CCOCc1cc(CN[C@H]2CCCc3cn[nH]c32)ccc1OC	268878668	XEGSVAISUDZUFL-INIZCTEOSA-N	315.417	3.122	10	20	DGCD	
CSc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)nc1	273126855	SIPCVLYHVCTLPY-UHFFFAOYSA-N	316.430	3.191	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1cnc2cnccn12	282842978	CUORSJPVXKAQJU-UHFFFAOYSA-N	310.401	3.237	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)C(F)(F)F)c(C)n1-c1ccccn1	288717455	WHYXJFCNAWFNEJ-LLVKDONJSA-N	311.307	3.170	10	20	DGCD	
CCOc1cccc(CNCC[C@H](O)c2ccccc2)c1O	289467427	PACCNGGHCIFMRQ-INIZCTEOSA-N	301.386	3.004	10	20	DGCD	
CCCn1ccnc1CCCN(C)Cc1cccc(OC)c1O	290471183	NMZHZPDWKPPCRC-UHFFFAOYSA-N	317.433	3.072	10	20	DGCD	
COCC1(CN[C@H](C)c2c(C)cc(C)cc2O)CCOCC1	294400761	SLXKUSADJKTYQC-OAHLLOKOSA-N	307.434	3.103	10	20	DGCD	
CO[C@H](C)c1nc(CN[C@H]2CCc3cccc(O)c32)cs1	297946435	YJSFVOGHRQBIBQ-MFKMUULPSA-N	304.415	3.333	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21	314705423	JZZURUNKHNMUHH-HZSPNIEDSA-N	304.434	3.143	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@@]2(C)CCO[C@@H]2C2CC2)c1	364068497	SQHBRQOVTNJMOE-QZTJIDSGSA-N	305.418	3.086	10	20	DGCD	
CCC1(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCC1	364335264	DTCKITZQVCWXGH-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
Oc1cc(Br)ccc1CN[C@H]1CCCSC1	700992807	IOERQCVDBGDPDG-NSHDSACASA-N	302.237	3.140	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)cc(Cl)c1O)Cn1cccn1	725847435	LRISZCLXVYBOSO-JTQLQIEISA-N	314.216	3.321	10	20	DGCD	
O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(O)cs1	732271522	IQTKEMQLUSDXTR-UHFFFAOYSA-N	316.382	3.223	10	20	DGCD	
CC(=O)Nc1ccc(CNCc2c(O)cccc2Cl)cc1	733322141	ADRAYDJLIKZJQF-UHFFFAOYSA-N	304.777	3.294	10	20	DGCD	
CC[C@H]1COCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1	734415497	OEURCUAXOJAXHT-KRWDZBQOSA-N	312.413	3.345	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1n[nH]c2ccccc12	743718499	DRCFPRQMWCQEFD-UHFFFAOYSA-N	321.380	3.077	10	20	DGCD	
C[C@@H](NCc1cn2ccsc2n1)c1cc(F)cc(F)c1O	756455070	IOBFDBQQSYZHMJ-MRVPVSSYSA-N	309.341	3.230	10	20	DGCD	
C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1O	756503950	RHWZAYAHJMMYFG-GXSJLCMTSA-N	322.758	3.333	10	20	DGCD	
Cc1ccc(N2CCN(C(=O)c3cc(O)cs3)CC2)cc1C	760877559	XNEAYLUYWGRGIN-UHFFFAOYSA-N	316.426	3.033	10	20	DGCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H]2CCCCCN2C1=O	761582018	YWVBMRJFYUPOQS-CZUORRHYSA-N	315.417	3.020	10	20	DGCD	
COc1ccc(CNC(=S)Nc2ccc(C)c(C)c2)nc1	766511916	GLVTYSXLOXMFGW-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
Cc1ccc(F)c(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1	768347747	ZQYLURLMBIMQKZ-YVMONPNESA-N	315.344	3.217	10	20	DGCD	
COc1cccc(O)c1CN1CCO[C@@H](c2ccccc2C)C1	769446018	KPCFKMBHQGBDJD-LJQANCHMSA-N	313.397	3.283	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CCO[C@@H]1CCCCO1	769767368	UNZGIGJWEIPNFO-GOSISDBHSA-N	305.418	3.381	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1O	775014831	QHWLAWUHTXYGAH-YRGRVCCFSA-N	320.389	3.367	10	20	DGCD	
CC[C@@H](N[C@@H]1COc2cc(OC)ccc2C1)c1ccccc1O	775525838	ODVWRKWAOUPCAZ-WMLDXEAASA-N	313.397	3.445	10	20	DGCD	
C[C@H](NCc1nc(-c2ccco2)no1)c1ccc(N(C)C)cc1	775830514	LAXACVPRHWZCGI-LBPRGKRZSA-N	312.373	3.246	10	20	DGCD	
CCCc1nc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)s1	777398551	HQQHAPDDSWBWMY-VURMDHGXSA-N	318.398	3.467	10	20	DGCD	
CN(Cc1cccc(Br)n1)Cc1ccccc1O	779433732	CSBVKZABLHIUSN-UHFFFAOYSA-N	307.191	3.182	10	20	DGCD	
C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1	779499607	NNKDXTOKZJBZIN-KNVNGTOESA-N	315.344	3.170	10	20	DGCD	
Cc1cc(C(=O)OCC(=O)CC2CC2)c(C)n1-c1ccccn1	782699715	CMLVOFOOAVCSBS-UHFFFAOYSA-N	312.369	3.015	10	20	DGCD	
O=C(COC(=O)c1ccc(C(F)F)cc1)c1ccc(O)c(O)c1	783379924	WUINGYLVADHAMM-UHFFFAOYSA-N	322.263	3.075	10	20	DGCD	
CC[C@@]1(C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1	785585955	SQQLQOWJIUELFM-KDOFPFPSSA-N	319.449	3.024	10	20	DGCD	
C[C@@H](N[C@@H](CCO)Cc1ccccc1)c1ccc(N(C)C)cc1	799732525	ZZSVFPKFKOHVBS-APWZRJJASA-N	312.457	3.397	10	20	DGCD	
Cc1cccnc1C(=O)NCc1cc(Cl)cc(Cl)c1O	807837406	OOQOTIMWXDFOMB-UHFFFAOYSA-N	311.168	3.332	10	20	DGCD	
COc1ccc(O)c(CNc2nc(-c3ccc(C)cc3)no2)c1	811805149	KTZNNBMLNFFTCZ-UHFFFAOYSA-N	311.341	3.371	10	20	DGCD	
CCOC(=O)c1csc(CN(C)c2ccc(OCC)cc2)n1	814624314	SJKGLJMIYJSBOJ-UHFFFAOYSA-N	320.414	3.355	10	20	DGCD	
Cc1cc(CN2CCOCC3(CCCC3)C2)ccc1N(C)C	815093376	IVBBWTDMXFUBPQ-UHFFFAOYSA-N	302.462	3.454	10	20	DGCD	
C[C@@H](Cn1ccnc1)N[C@H](C)c1cccc(C(F)(F)F)c1O	815558677	KTIVULZTFOEDJG-WDEREUQCSA-N	313.323	3.347	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1C)c1cccc(C(F)(F)F)c1O	815565883	CLCKPBDKPBIRTR-WDEREUQCSA-N	302.340	3.156	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCCOCC(F)(F)F	816534855	WUUAKBYBDFRRLB-UHFFFAOYSA-N	315.694	3.243	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC([C@@H]2CCOC2)CC1	816567569	FSUSKLATAGPVKT-GFCCVEGCSA-N	313.800	3.433	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)[C@H](C(=O)O)C(C)C)cc1	819164925	XPLUINFUFHZECB-WMLDXEAASA-N	306.450	3.368	10	20	DGCD	
CCC1(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1	819584728	PPDRFMMMBIPGGD-OAHLLOKOSA-N	316.445	3.218	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CCC(C)(C)C	819696132	MUXIIIYKWPDOGD-UHFFFAOYSA-N	321.417	3.110	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCCC2(F)F)cc1F	822863029	LBTNVOHEGSTHER-GFCCVEGCSA-N	314.351	3.333	10	20	DGCD	
CCOc1ccc(CNC[C@H]2CCOC3(CCC3)C2)c(O)c1	824751582	ZWHOMVINWZJJET-AWEZNQCLSA-N	305.418	3.230	10	20	DGCD	
C/C(=C\C(=O)N1C[C@@H](C)Oc2ccc(C)cc21)c1cnccn1	826819961	ZODWJJLMOOGCQC-KADHNRKRSA-N	309.369	3.002	10	20	DGCD	
CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1O)N1CCCCC1	827930619	MVHCLIRBAHRDBD-RHSMWYFYSA-N	304.434	3.080	10	20	DGCD	
Cc1cc(Cn2c([N+](=O)[O-])cnc2C)ccc1N1CCCCC1	829099870	ARTNEQRQRDNDSK-UHFFFAOYSA-N	314.389	3.447	10	20	DGCD	
CCc1oc(C(=O)O)cc1CN(C)c1ccc(OC)c(OC)c1	830362620	FBLJQUDSLTZMJU-UHFFFAOYSA-N	319.357	3.194	10	20	DGCD	
C[C@@H](NC[C@H]1CCOC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1O	834881836	BQCWQSQYYQOYLE-OLZOCXBDSA-N	320.389	3.300	10	20	DGCD	
CO[C@H]1C[C@@H](NCc2cc(Cl)cc(C(C)=O)c2O)C12CCC2	839189652	BHAKAHVSWZGGGG-CABCVRRESA-N	323.820	3.295	10	20	DGCD	
CN(C)c1ccc(CNC2(CO)C3CC4CC(C3)CC2C4)cc1	839650636	XRKHRCJUOZWXCP-UHFFFAOYSA-N	314.473	3.029	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)c1ccc(F)c(F)c1	840927717	APRWJRPOAIEKCV-SFHVURJKSA-N	320.383	3.162	10	20	DGCD	
CCNCC1CCN(Cc2c(O)ccc(Cl)c2F)CC1	843055770	PABASYOTTFZYHQ-UHFFFAOYSA-N	300.805	3.006	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](CCN)C2)cc1F	843112647	KHNWYVMKXDSBNA-HNNXBMFYSA-N	307.457	3.233	10	20	DGCD	
CN1CCC[C@@H]1CN(Cc1ccco1)Cc1ccccc1O	844308232	XBUCTUIGAZKVTM-MRXNPFEDSA-N	300.402	3.082	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](C)c2cc(OC)ccc2O)c1	845972948	RVIVOSZOMOCYJD-LBPRGKRZSA-N	317.385	3.356	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)N[C@H]3CC=CCC3)cs2)cc1	846685123	ZMQATZPBWBPMHJ-AWEZNQCLSA-N	313.426	3.155	10	20	DGCD	
COC[C@@H](C)Oc1ccc(CNCc2ccccc2O)cc1	850113794	VWBMTQZPGSGMQR-CQSZACIVSA-N	301.386	3.096	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)Cc3cscn3)cc12	853130271	WETXUXJYPFQARJ-UHFFFAOYSA-N	300.383	3.400	10	20	DGCD	
COc1ccc(CNCc2cc(C)ccc2O)c(C)c1OC	858239946	WXXVKQLXQZVHEM-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(F)c(N(C)C)cc1F	862351269	IMFUKWUTISDDPL-OCCSQVGLSA-N	312.404	3.156	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC=CC1	875798128	GMVLLRVEQNBRDL-UHFFFAOYSA-N	301.434	3.250	10	20	DGCD	
Cc1ccc(CN(C)Cc2ccc([S@@](C)=O)cc2)c(O)c1	876773498	SKVICCNFPPVZPI-OAQYLSRUSA-N	303.427	3.070	10	20	DGCD	
CCCN(CC)c1ccc(C(=O)N(C)c2ccc(N)cc2)cn1	877077345	DUINUOACAQZPKS-UHFFFAOYSA-N	312.417	3.177	10	20	DGCD	
CCc1cccc(CN2CCC[C@H](CCC(=O)OC)C2)c1O	877818074	DORHLUUHKFRRCK-CQSZACIVSA-N	305.418	3.120	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@](C)(O)C(F)F	885940543	MAZIUVFKHZZODO-KRWDZBQOSA-N	312.404	3.125	10	20	DGCD	
COc1cc(CN(C)Cc2cc(F)cc(F)c2O)ccc1O	893918337	ATINBTMTPJMOIQ-UHFFFAOYSA-N	309.312	3.017	10	20	DGCD	
COc1cc(C)cc(CNc2cccc(CCCO)c2)c1O	894438983	KXHRVCRFQHSXEU-UHFFFAOYSA-N	301.386	3.246	10	20	DGCD	
CN1C(=O)/C(=C/c2csc(Br)c2)SC1=S	913514867	SLYOVKJXTPGBMO-KXFIGUGUSA-N	320.258	3.342	10	20	DGCD	
CC(C)CCC(=O)NCc1ccc(N2CCSCC2)cc1	917386663	RYTJZYUSAQFZEO-UHFFFAOYSA-N	306.475	3.292	10	20	DGCD	
Oc1ccc(Cl)cc1CNCCc1nc2c(s1)CCC2	922714032	CQXUIIPHGPTTKV-UHFFFAOYSA-N	308.834	3.323	10	20	DGCD	
CC(C)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1O)c1cnn(C)c1	927069171	LKKLJLGBNNQOSW-ZUZCIYMTSA-N	309.360	3.452	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2CCCC[C@H]2C1	1320031953	UMVDVDYBMPFVOJ-ODYMAQSMSA-N	301.386	3.150	10	20	DGCD	
CCC1(CNCc2cc(F)c(N(C)C)cc2F)CCOCC1	1348085709	JWCAKNPTBZVGJP-UHFFFAOYSA-N	312.404	3.327	10	20	DGCD	
COc1ccc(NC(=O)NCc2ccc(N)cc2)c2cccnc12	1579228551	RXVCOEWSACZXGC-UHFFFAOYSA-N	322.368	3.147	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)C(C)(C)CN)c2C)c1	1579747179	IYTKDCTTWIXCGM-UHFFFAOYSA-N	313.445	3.004	10	20	DGCD	
C[C@@H](N[C@H](CCN(C)C)C(C)(C)C)c1cc(C(=O)O)ccc1O	1593208878	KIJWOKUZQQQXBR-MLGOLLRUSA-N	322.449	3.107	10	20	DGCD	
C[C@H](NCc1cc(Br)ccc1O)C1CCOCC1	134496076	UYTBPOATMMBDFX-JTQLQIEISA-N	314.223	3.059	10	20	DGCD	
Cc1csc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)n1	29583265	NZDQBLBDXFCUSD-UHFFFAOYSA-N	317.458	3.096	10	20	DGCD	
COC(=O)c1ccc(COc2ccc(N3CCCC3)cc2)o1	178197204	XGDCHHWHXDIOIM-UHFFFAOYSA-N	301.342	3.245	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2scnc2C(C)(C)C)cc1	176438306	PYABMMGSNVFPLB-UHFFFAOYSA-N	317.458	3.437	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1ccc(N2CCCC2)nc1	113320220	NCDZIGLQCOQCSG-UHFFFAOYSA-N	317.820	3.331	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@H](C)C2)c1	114591425	DWILBUURJXOVIT-STQMWFEESA-N	306.406	3.026	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)c(O)c1O	179391161	LAWHYXKSRWYZIT-SECBINFHSA-N	307.296	3.175	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@]3(C2)OCc2ccccc23)c1	186439022	SXEIFDIATZDVOM-LJQANCHMSA-N	311.381	3.032	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H](CC)C1	183580533	VTZORADGTJWKRB-GDBMZVCRSA-N	305.418	3.336	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1	186354998	WZEHTVZGWQUYOY-OLUCIUBSSA-N	317.429	3.399	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@H](C)c2ccc(N(C)C)cc2)cc1	191587817	HEDKTUSMSQFQRF-VQIMIIECSA-N	312.457	3.315	10	20	DGCD	
COc1ccc(N2CCN(CCc3cccs3)CC2)cc1F	84866454	DQPVRQXVZIBKBL-UHFFFAOYSA-N	320.433	3.261	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(Cn3cccn3)cc2)c1	237363296	HHCZYSOMQICQSR-UHFFFAOYSA-N	309.369	3.258	10	20	DGCD	
CC[C@H](CN[C@@H]1CCc2cccc(O)c21)NC(=O)OC(C)(C)C	296571291	SWXIDACTFLHHCO-ZIAGYGMSSA-N	320.433	3.272	10	20	DGCD	
C[C@@H]1CN(C)c2ccccc2N(C(=O)/C=C\c2cccnc2)C1	255290993	ZLIZWKQDPIMNHL-FJVVXJACSA-N	307.397	3.214	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNC[C@@H](O)C(F)(F)F	263642444	AFEBDGTXKQTIKE-OAHLLOKOSA-N	311.303	3.072	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(Oc3ccncc3C)CC2)c1	278787186	WHMKAECFPXUPFM-UHFFFAOYSA-N	312.413	3.447	10	20	DGCD	
Cc1ncc2c(n1)CC[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)C2	363869339	UCAAULTVSJYMAG-IINYFYTJSA-N	317.820	3.352	10	20	DGCD	
O=C1Nc2ccccc2[C@H]1C1CCN(Cc2ccccc2O)CC1	361067901	OLJQGJJNVMGOPF-LJQANCHMSA-N	322.408	3.340	10	20	DGCD	
CCNC(=O)C1(CN[C@@H](C)c2cc(Cl)ccc2O)CCC1	277374977	XGSKFJIGPCTQIE-NSHDSACASA-N	310.825	3.003	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(C)cc1O	280062209	KMAJECFWZULCLQ-VYDXJSESSA-N	318.461	3.388	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCCOCC2)c(C(F)(F)F)c1	280207931	IAZVZKRWQFPXAN-ZDUSSCGKSA-N	316.367	3.430	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2CCCOC2)c(C(F)(F)F)c1	280088124	YXFCQIKWCPXBOB-GFCCVEGCSA-N	316.367	3.288	10	20	DGCD	
CC[C@H](NCCCNC(=O)C(C)C)c1cccc(Cl)c1O	806148997	NJSDAQLJGLLRPY-AWEZNQCLSA-N	312.841	3.249	10	20	DGCD	
Cc1cc(CCNC(=O)C(C)(F)F)c(C)n1-c1ccccc1	808454113	WKUQPMGBTTUSJW-UHFFFAOYSA-N	306.356	3.408	10	20	DGCD	
C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)c(F)cc1O	816587770	VXGKGHUKQBSKSJ-ISTVAULSSA-N	301.789	3.166	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(CN)nc1C	817895707	ZPVCFOCGDWRVQS-AWEZNQCLSA-N	312.461	3.074	10	20	DGCD	
CC[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H](CC)O1	817126384	ZUMOSLXRECOCGF-TXEJJXNPSA-N	324.377	3.006	10	20	DGCD	
C[C@@H](N[C@H]1CC12CCNCC2)c1cc2c(cc1O)CCCC2	817977045	ZRSVSBLIYSGKIP-ACJLOTCBSA-N	300.446	3.064	10	20	DGCD	
COc1ccc2c(c1)CCCN2C[C@H](O)Cc1ccc(F)cc1	815014012	UGBUHKQHTRQATL-QGZVFWFLSA-N	315.388	3.191	10	20	DGCD	
Cc1cccc(CN[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1O	825111375	MWUVMARTYLILNV-LSDHHAIUSA-N	324.424	3.157	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC3CC(OC(C)C)C3)C2)cc1	822494528	QVEYMKWSQFECHQ-LYGPFTKASA-N	318.461	3.067	10	20	DGCD	
CSc1ccc(CN(C)c2ccc(OCC(=O)O)cc2)o1	902016566	MZUCUQRFSLVZIK-UHFFFAOYSA-N	307.371	3.101	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)OCCCCO)c1C	733372007	AAWVHIWHOXCYNL-UHFFFAOYSA-N	301.386	3.332	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@@H](C)C1	734526789	UHRJQHIYZFUYSC-CJNGLKHVSA-N	303.450	3.439	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1nccn1C(F)F)CCC2	839654221	MKQSYKPMUUPESS-UHFFFAOYSA-N	323.343	3.248	10	20	DGCD	
Cc1cc(Br)cc(CNC[C@@H]2CC[C@H](C)O2)c1O	835085969	ADWVOYQVHJAYNT-GWCFXTLKSA-N	314.223	3.120	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2cccc(OC)c2O)C12CCCC2	742390950	WKLBOSWZXKEGGJ-HZPDHXFCSA-N	305.418	3.228	10	20	DGCD	
C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(O)cc1O	910958157	XOPRAACUDXLDFQ-LBPRGKRZSA-N	317.360	3.122	10	20	DGCD	
CC[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1C	745828751	VCCRAYAUWOVVQE-XJKSGUPXSA-N	303.450	3.391	10	20	DGCD	
CCCN(CC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840490295	ZEOSPZMPFILXQW-HNNXBMFYSA-N	305.466	3.434	10	20	DGCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)on1	914505405	DPVULBOXZJAPCB-UHFFFAOYSA-N	301.390	3.100	10	20	DGCD	
COc1ccc(Cl)c(NC(=O)NCc2ccccc2O)c1	748441839	BWOAUMWINWLTCB-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
CCOc1ccc(NC(=S)NCc2ccc(C)cn2)cc1	843282233	XEWKFQLTNAWFEX-UHFFFAOYSA-N	301.415	3.275	10	20	DGCD	
COc1ccc(CNC(=O)C2[C@H]3CCCCCC[C@H]23)c(O)c1	846951538	WRFQOFZLDZGCJE-GJZGRUSLSA-N	303.402	3.233	10	20	DGCD	
CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccc(OC)cc1	751530585	OUXHKOHIVSNJOU-OAHLLOKOSA-N	315.369	3.296	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1cc(O)ccc1Cl	857548839	WTMHLLTUXXLNEF-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
C[C@@H](NC[C@H]1CCCO1)c1cc(Br)c(F)cc1O	756354391	AAWFCEJQEUXFDM-RKDXNWHRSA-N	318.186	3.123	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cnc2ccccc2n1	851882529	ZIIVFXTWHVJMMX-UHFFFAOYSA-N	320.396	3.095	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2cc(CO)on2)cc1F	925014400	QEMHKOVCKUUXLC-LBPRGKRZSA-N	321.396	3.003	10	20	DGCD	
Fc1cnc(Cl)c(CNCc2ccc3c(c2)CCCO3)c1	922151481	LKJJUHPOQQIOSI-UHFFFAOYSA-N	306.768	3.489	10	20	DGCD	
CCOCCOCCN[C@@H](C)c1cccc(C(F)(F)F)c1O	927086118	DACMPHZCTXXVEE-NSHDSACASA-N	321.339	3.115	10	20	DGCD	
COc1cc([C@@H](C)N[C@@H](C)Cc2ccc(N(C)C)cc2C)on1	926595218	HHTMVBXPGSIQKY-UONOGXRCSA-N	317.433	3.339	10	20	DGCD	
COc1ccc(CNC(=O)NCc2cc(C)ccc2O)c(C)c1	858302896	MRVYSSKHHLXMOB-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@]2(C)c2ccccc2)c1	858248187	UADQWZCMCUTUKU-PKOBYXMFSA-N	310.397	3.230	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1cc(F)cc(F)c1O	756586434	RRWDAFSPYDYNGS-BJOHPYRUSA-N	319.355	3.497	10	20	DGCD	
C[C@H](CN[C@@H](C)c1cc(F)cc(F)c1O)CC1(C)OCCO1	866425262	KQZQORZATNWFNM-QWRGUYRKSA-N	315.360	3.110	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F	862384248	SLNUBBDOWQUKMZ-MZMPZRCHSA-N	324.415	3.156	10	20	DGCD	
Cc1ccc2c(c1)nc(-c1ccc(N3CCN(C)CC3)cc1)n2C	771513420	KSRUHLFKYHXPFW-UHFFFAOYSA-N	320.440	3.301	10	20	DGCD	
Cc1ccc2c(c1)N(C(=O)/C=C/c1ccc(O)c(O)c1)CCC2	779515785	BSVPJYBIRGZTSO-RMKNXTFCSA-N	309.365	3.399	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1cscn1)c1ccc(N(C)C)cc1	773622787	IAENCWZQTRKYCF-GFCCVEGCSA-N	318.446	3.112	10	20	DGCD	
C[C@H](NC(=O)NCC1(C2CC2)CC1)c1ccc(N(C)C)cc1	773412638	AYIMGDWIDJPYNO-ZDUSSCGKSA-N	301.434	3.303	10	20	DGCD	
Oc1c(Cl)cccc1CNc1cccc(-n2ccnn2)c1	775749221	FDJQAIYNFZEOAX-UHFFFAOYSA-N	300.749	3.238	10	20	DGCD	
CNC(=O)N(C)c1ccc(N[C@@H]2CCc3cccc(O)c32)cc1	883318079	FHZBGPGKHHLVJN-OAHLLOKOSA-N	311.385	3.267	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1CCCN(C)c2ccccc21	784027058	UHYDADSOUVVGLT-HJWRWDBZSA-N	307.397	3.276	10	20	DGCD	
CC1(C)CC(CNC(=O)NCCCSc2nccs2)C1	780537083	CEPCEGCEEHSLNP-UHFFFAOYSA-N	313.492	3.361	10	20	DGCD	
Cc1nc2cc(C(=O)NCc3ccc(N(C)C)cc3C)ccc2o1	791594633	QNGWMZXNNAUSDE-UHFFFAOYSA-N	323.396	3.441	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)CCC(C)(C)C)c(O)c1	792951254	PZYYJQYCLWXDHV-GFCCVEGCSA-N	308.422	3.415	10	20	DGCD	
CC[C@@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1O	189999032	SHTGTISOAGFANH-TZMCWYRMSA-N	308.422	3.346	10	20	DGCD	
CN(C)c1cc(F)c(CNC2(C3CC3)CCOCC2)cc1F	1335155942	KFNXYYGROJZVIA-UHFFFAOYSA-N	310.388	3.080	10	20	DGCD	
CCC[C@H]1CN(Cc2cccc(Br)c2O)CCO1	93508768	RLTJVNRHYWCSOK-LBPRGKRZSA-N	314.223	3.156	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ccn(C)n2)cc1	1337660158	DZDXSERREYDQDM-UHFFFAOYSA-N	322.412	3.100	10	20	DGCD	
COc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(O)c1OC	1351999209	WWXQYVHDPNVYJG-KCQAQPDRSA-N	305.418	3.468	10	20	DGCD	
C[C@H](NCC[C@]1(C)C[C@]1(F)Cl)c1cc(C(=O)O)ccc1O	1604338635	PRIXQXGXSVQMKK-TZTCFGBESA-N	315.772	3.446	10	20	DGCD	
O=C(O)c1cnc(SCCc2c(F)cccc2F)s1	1608979248	RGEWDYNXCLLYNU-UHFFFAOYSA-N	301.339	3.454	10	20	DGCD	
COc1ccc(CN[C@@H](C)CCNC(=O)[C@H](C)C(C)C)cc1C	1484999559	DIYSXDLHYXMHGG-JKSUJKDBSA-N	320.477	3.280	10	20	DGCD	
CO[C@H]1c2ccccc2C[C@H]1Sc1ncc(C(=O)O)s1	1599327517	OZRHONLSYCJJPJ-PWSUYJOCSA-N	307.396	3.246	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@@H](C(C)(C)C)C1)c1cc(C(=O)O)ccc1O	1593230046	BFEUYJSZAGBQHV-NORZTCDRSA-N	321.417	3.335	10	20	DGCD	
CC[C@H](NCCCNc1ncccn1)c1ccc(N(C)C)cc1	163935895	GUKQDHOLJPYTEW-KRWDZBQOSA-N	313.449	3.086	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2c(C)nn(C)c2C)cc1	151131762	GRHVPOZNCSZIBE-CYBMUJFWSA-N	300.450	3.344	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)s1	802777562	NATKUWNTZFQLAI-UHFFFAOYSA-N	301.289	3.403	10	20	DGCD	
CC[C@H](C)[C@@H](CNCc1ccc(Br)cc1O)OC	691470247	SSMDHSQSOQRZKY-IINYFYTJSA-N	316.239	3.305	10	20	DGCD	
CC[C@H](NC[C@@H](C)COC)c1cc(Br)ccc1O	45656562	CRIDQSKPJSTKRC-MFKMUULPSA-N	316.239	3.478	10	20	DGCD	
C[C@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	103413690	YCGOJFXJJQVXCL-FZMZJTMJSA-N	314.351	3.300	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC=CCC2)c1	103611359	KFNMDKFDFRGFOU-QWHCGFSZSA-N	304.390	3.117	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)C(C1CC1)C1CC1	115854022	NRWNQXDYUWKOJS-UHFFFAOYSA-N	315.461	3.391	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@H](C)c3ccccc3)CC2)cc1	119036333	NLBSNEQBTWFWMX-MRXNPFEDSA-N	324.424	3.148	10	20	DGCD	
CC(C)OC(=O)[C@@H](C)N(C)Cc1c(O)ccc2ccccc12	121606231	YIJUOFWMPQTJRY-CYBMUJFWSA-N	301.386	3.317	10	20	DGCD	
CC[C@H](C)[C@@H](C)NC(=O)NCCCSc1nccs1	152774506	PJDKZUXFOTYZKE-WDEREUQCSA-N	301.481	3.359	10	20	DGCD	
C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(N2CCCC2)cc1	171734394	ZSVHFPHXLTUPRI-HNNXBMFYSA-N	318.461	3.497	10	20	DGCD	
CCN(Cc1ccc(OC)cc1)Cc1cc(OC)ccc1O	179698256	DKLCJZAIMBHHDJ-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cccc(O)c2O)C1	185697298	NEWDXYJUZQZZTK-KBPBESRZSA-N	311.381	3.424	10	20	DGCD	
COC[C@H](Cc1ccccc1)N(C)Cc1cccc(OC)c1O	187995658	OEYGMXKIRCIXNS-KRWDZBQOSA-N	315.413	3.090	10	20	DGCD	
CCOC(=O)[C@H](NCc1ccccc1O)c1cccc(C)c1C	189664179	ZCLSOMVMZOTUJC-GOSISDBHSA-N	313.397	3.403	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CCC[C@@H](C)CC2)c1O	190967336	UZILXRLATBJVHT-OCCSQVGLSA-N	306.406	3.169	10	20	DGCD	
COc1cccc2c1CCCCN2C(=O)/C=C\c1cccnc1	255374512	QLXNTVRUNSKDMF-KHPPLWFESA-N	308.381	3.473	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)[C@H](O)c2cccc(F)c2)cc1C	267251116	ZLEKLLVGRZDITA-ACJLOTCBSA-N	303.377	3.360	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CC(=O)O)c2ccsc2)cc1	276978924	HZSLHGYWKZOYQG-OAHLLOKOSA-N	304.415	3.120	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)CCCCCO)cc1	279477795	HEELUNRRXYVFLQ-UHFFFAOYSA-N	314.429	3.329	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCC2([S@@](C)=O)CCC2)cc1	280907954	CTUYIMVSFZOBPN-LHSJRXKWSA-N	308.491	3.095	10	20	DGCD	
C[C@H](NCc1ncc(C(F)(F)F)cn1)c1cc(F)ccc1O	296333546	HLBMQUATZCFILV-QMMMGPOBSA-N	315.270	3.191	10	20	DGCD	
Cc1cc(C(=O)CCC(=O)NCc2ccc(N)cc2)c(C)s1	297353535	ZKHNOQVSEOCMCP-UHFFFAOYSA-N	316.426	3.226	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C)(C)C1CC1	341364957	NBCOIVGASCFWEJ-UHFFFAOYSA-N	302.418	3.304	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OCC(=O)NC3CCCC3)cc12	421196172	IZMZFNHIIJOLIG-UHFFFAOYSA-N	300.402	3.233	10	20	DGCD	
C[C@H](NCc1ccccc1O)c1ccc(N2CCOC2=O)cc1	725847999	MDYHDFJGQRTMMR-ZDUSSCGKSA-N	312.369	3.200	10	20	DGCD	
O=C(NCCc1c[nH]c2cc(F)ccc12)c1cc(O)cs1	732279341	JQZRLQJWRIBJLT-UHFFFAOYSA-N	304.346	3.047	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(CCCNCc2ccc(N(C)C)c(F)c2)C1	733324568	KVRFSIPJAOFXPR-HZPDHXFCSA-N	321.484	3.349	10	20	DGCD	
COc1ccc(O)c(CNC(=S)N[C@@H](C)c2ccccc2)c1	733905634	BQURKHLZJPMWBA-LBPRGKRZSA-N	316.426	3.126	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1scnc1Cl	743717613	PHVRVLFMVTULBJ-UHFFFAOYSA-N	322.817	3.311	10	20	DGCD	
C[C@H](NC[C@H](C)N1CCCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1O	756412512	UPIZUBFXJXRVMZ-IHRRRGAJSA-N	321.421	3.214	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)c(O)c1	756762904	SUGFQHGOPRNYFL-WMLDXEAASA-N	316.445	3.285	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@H](CCc2ccccc2)C1	757994122	HFMSSXKCAMIMQQ-GOSISDBHSA-N	315.388	3.365	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCc3cc(O)ccc3C2)c(O)c1	767728796	SGSBIBNVAYHVFJ-MRXNPFEDSA-N	313.397	3.144	10	20	DGCD	
O=C(CCOc1ccc(Cl)cc1)NCc1ccccc1O	769362969	BUOSJWILIUPNTJ-UHFFFAOYSA-N	305.761	3.131	10	20	DGCD	
Cc1cnc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)s1	769455474	CWPFOGJBGUCEHL-UHFFFAOYSA-N	317.458	3.096	10	20	DGCD	
COc1ccccc1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773016012	SDJMWUYZPUVZFI-CQSZACIVSA-N	312.413	3.181	10	20	DGCD	
CC[C@@H](NCCOc1ncccc1F)c1ccc(N(C)C)cc1	773083692	NKMDJQLGMOCCAY-QGZVFWFLSA-N	317.408	3.406	10	20	DGCD	
COc1cccc2c1OC[C@H](NCc1cccc(Cl)c1O)C2	776172669	SILRFKXYVJLETG-CYBMUJFWSA-N	319.788	3.148	10	20	DGCD	
CC(C)[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C	776251409	HNXHHJPUPCZVAH-INIZCTEOSA-N	324.440	3.348	10	20	DGCD	
CCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1OC	780854879	IYJWASJZWYVQQE-UHFFFAOYSA-N	317.341	3.066	10	20	DGCD	
COc1ccc(CNC(=O)Cc2c(C)cc(C)cc2C)c(O)c1	794381746	SQKXWSQIMJDQCM-UHFFFAOYSA-N	313.397	3.185	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCCC1	804859337	FLLISQXTRWTSCX-UHFFFAOYSA-N	303.189	3.441	10	20	DGCD	
CCOC1CC(N(C)Cc2cc(Br)ccc2O)C1	809773381	CNGXZLYMGVRCHE-UHFFFAOYSA-N	314.223	3.154	10	20	DGCD	
CCCC[C@@H](C)N(C)Cc1ccc(N2CCN(C)CC2)cc1	811520572	QQMBCKRSUQMSJC-QGZVFWFLSA-N	303.494	3.449	10	20	DGCD	
COc1cc2c(cc1NCc1cnn(C)n1)oc1ccccc12	811726947	PUXBGLIOZGBSIB-UHFFFAOYSA-N	308.341	3.335	10	20	DGCD	
C[C@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCC2)cc1	817977011	ZJPFXPRVAXWCML-XIRDDKMYSA-N	305.441	3.028	10	20	DGCD	
CCN(CC)c1ccc(CNCCC(C)(C)C(=O)O)cc1F	818629149	SXJGQYNVKZREKZ-UHFFFAOYSA-N	310.413	3.262	10	20	DGCD	
CN(c1ccc(CNC(=O)c2ncc[nH]2)cc1)C1CCCCC1	824251522	QZECUJOXRCBGJN-UHFFFAOYSA-N	312.417	3.109	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](O)C2CCC2)c(C(F)(F)F)c1	825240925	RKIZFHBMZXBRGQ-OAHLLOKOSA-N	316.367	3.022	10	20	DGCD	
COc1ccc(C)c2c1N(C(=O)/C=C(\C)c1cnccn1)CCC2	825666290	ZXZCCBVDDVNLJN-SDNWHVSQSA-N	323.396	3.176	10	20	DGCD	
O=C(CCCC(=O)C1CC1)NCc1c(O)ccc2c1CCCC2	826137343	PUJSRGRNIIFNIT-UHFFFAOYSA-N	315.413	3.037	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1	827377149	QRDFGOCOOOXMFI-KBXCAEBGSA-N	305.418	3.182	10	20	DGCD	
Cc1cccnc1C(F)(F)C(=O)N[C@H](C)c1ccccc1O	827946275	CFOFZPBHBRNTBH-LLVKDONJSA-N	306.312	3.065	10	20	DGCD	
C[C@@H](NC(=O)C[C@@H](C)N1CCc2ccccc21)c1ccccc1O	827952333	OILSHOTUOWQUOF-HUUCEWRRSA-N	324.424	3.411	10	20	DGCD	
Cc1cc(CN(CCO)CC(F)F)ccc1N1CCCCC1	829352283	BIXSFMDSXCFERN-UHFFFAOYSA-N	312.404	3.045	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2cc(C)cc(C)c2)c1	830541182	UJQWCULJFLDHPO-AWEZNQCLSA-N	313.397	3.438	10	20	DGCD	
O=C(NCC[C@H]1CCc2ccccc21)c1c(F)ccc(O)c1O	833398751	KKXDJVJJAOTBPN-GFCCVEGCSA-N	315.344	3.087	10	20	DGCD	
CCN(CCN[C@@H]1CCc2cccc(O)c21)CCC(F)(F)F	834783307	FGNFFQUARCSRNA-CYBMUJFWSA-N	316.367	3.243	10	20	DGCD	
C[C@@H]1CCC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	839146529	KVDYOLXEDDGVLC-WBMJQRKESA-N	310.388	3.080	10	20	DGCD	
CC1(CNCc2cc(Cl)cc(Cl)c2O)CCNCC1	841056681	IIKQZAZOHGRBNQ-UHFFFAOYSA-N	303.233	3.178	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](CC2CC2)C(=O)O)cc1F	844295025	YPVFGWGJVYDSHE-HNNXBMFYSA-N	322.424	3.262	10	20	DGCD	
Oc1cc2c(cc1CNCCC[C@@H]1CC1(Cl)Cl)OCO2	846103477	YTSQWEAJQJOCTA-SNVBAGLBSA-N	318.200	3.185	10	20	DGCD	
CC(C)(F)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1	851643857	FRGDGEGMFQOIMS-UHFFFAOYSA-N	321.421	3.184	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1cnc2ccccc2n1	862279050	KVDFXDNIFSXMFJ-UHFFFAOYSA-N	306.413	3.294	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1C(=O)O	863740375	UTBUCKBZCIGREO-MAUKXSAKSA-N	316.445	3.220	10	20	DGCD	
COc1cc(C(F)(F)F)nc(N[C@H](C)c2ccccc2O)n1	866236868	DIUUFEFDQSIYQM-MRVPVSSYSA-N	313.279	3.383	10	20	DGCD	
CCCOc1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1C	873119010	AYRSVWTZYJJQSA-UHFFFAOYSA-N	318.461	3.274	10	20	DGCD	
Cc1ccc(CNC[C@@H](O)c2cccc(OC(C)C)c2)c(O)c1	877034979	AJRXQYHYQFLFRD-LJQANCHMSA-N	315.413	3.311	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CCc4cccnc43)CC2)cc1	886521150	VXDCBJHIRJOKMV-LJQANCHMSA-N	323.440	3.336	10	20	DGCD	
C[C@@H](NCC[C@@H](O)C1CC1)c1cccc(C(F)(F)F)c1O	903408851	URFYHRVUKCIGKJ-NOZJJQNGSA-N	303.324	3.223	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@H]2CCC[C@@H](C)C2)cc1C	1133077256	SGKNSQUMFFUXBA-PBHICJAKSA-N	318.461	3.036	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCOC[C@H]1CCOC1	1254720836	AIXNCQVHKPZDGG-BZUAXINKSA-N	319.445	3.282	10	20	DGCD	
COc1cccc(O)c1CNc1ccc2c(c1)cc(C)c(=O)n2C	1324374720	HPMMICRZJCJZMJ-UHFFFAOYSA-N	324.380	3.173	10	20	DGCD	
C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1cc(F)cc(F)c1O	1325357006	NGSWMWPVZHEFOO-UWVGGRQHSA-N	315.360	3.441	10	20	DGCD	
CC(C)(C(=O)O)[C@H](NCc1cc(F)ccc1O)c1ccccc1	1589601207	ISLBQPSJHRDFOK-MRXNPFEDSA-N	317.360	3.473	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)Oc1ccccc1	1592704998	BZNJGBPRIOZUCO-QWHCGFSZSA-N	315.369	3.209	10	20	DGCD	
C[C@@H](N[C@@H]1CCCC12CCOCC2)c1cc(C(=O)O)ccc1O	1593225808	YJQAKCYUCLTLPA-MLGOLLRUSA-N	319.401	3.090	10	20	DGCD	
O=C(O)CN(Cc1ccccc1)Cc1c(O)ccc(Cl)c1F	1602060229	YTRIXWSBTVQXFH-UHFFFAOYSA-N	323.751	3.272	10	20	DGCD	
CC(C)(C)c1cncc(CNCc2ccc(C(=O)O)cc2O)c1	1776279421	BKVGZWWFPMIZLG-UHFFFAOYSA-N	314.385	3.073	10	20	DGCD	
CCCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	71794244	GOAHDBJQDNDZSY-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
CC(C)N(CCCNC(=O)N(C)Cc1ccccc1O)C(C)C	72518492	SVWVUDUKSXKGOA-UHFFFAOYSA-N	321.465	3.043	10	20	DGCD	
Cc1nc(Cl)cc(NCCCSc2nccs2)n1	74277146	UCCXDKULULFKTC-UHFFFAOYSA-N	300.840	3.489	10	20	DGCD	
CCOc1cccc(CN(C)[C@H](CCO)c2ccccc2)c1O	93442519	HCWSARMTORMMDV-QGZVFWFLSA-N	315.413	3.346	10	20	DGCD	
CS[C@@H]1CCCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	153311619	YPJLEVCNDALMTG-MRXNPFEDSA-N	321.490	3.180	10	20	DGCD	
CCN(CC)C1CCN(Cc2cc(OC)c(C)cc2O)CC1	160232470	FWDGCHLGBXVGLI-UHFFFAOYSA-N	306.450	3.015	10	20	DGCD	
COC[C@H](C)CN[C@H](C)c1ccc(Br)cc1O	185149112	XDZRIMIDHXBUQF-NXEZZACHSA-N	302.212	3.088	10	20	DGCD	
CC(=O)CCCOC(=O)c1cc(C)n(-c2ccccn2)c1C	193010732	BRPOHPFQJXUBHS-UHFFFAOYSA-N	300.358	3.015	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1nc(C)c(C)o1	263651407	CWNROYZRRGUUFM-UHFFFAOYSA-N	303.362	3.441	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1CCOC1	267519392	FREZVXZRGNQCPE-QGZVFWFLSA-N	318.461	3.306	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)c2ccccc2F)c(OC)c1	269847126	WYMFNVWKWPKHLH-INIZCTEOSA-N	305.349	3.013	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)CC(C)(C)OC)c1	273465330	DQNJCAONSXECKN-RYUDHWBXSA-N	309.406	3.033	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@]2(C)CCCS2)c1	273610415	VQWDXPTZMNEXCJ-ZBEGNZNMSA-N	309.431	3.115	10	20	DGCD	
CC[C@@H](NCCOc1ncccc1F)c1ccc(C)cc1O	280146926	PYIQLDLKHHGWND-OAHLLOKOSA-N	304.365	3.354	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCc1nccs1	282947566	KSVSTNIQFSXVPC-UHFFFAOYSA-N	317.458	3.190	10	20	DGCD	
COc1ccc([C@H](CN(C)C)NCc2cc(C)ccc2O)cc1	284202042	ZASZOBZNYLWLMX-SFHVURJKSA-N	314.429	3.102	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]2c2cn(C)nc2C)c1O	362335529	LSGFWKPTMCWCAB-INIZCTEOSA-N	315.417	3.170	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1/C=C/c1ccccc1	366757338	RTEXWOOQTXOZMS-RUMSDORHSA-N	309.365	3.416	10	20	DGCD	
Cc1c(CNC(=O)N(C)Cc2ccco2)n(C)c2ccccc12	472282537	XPRDLDXFZVLTFT-UHFFFAOYSA-N	311.385	3.421	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2cnccc2C)cc1F	492532735	MBJVMBVNJHIBNW-QPJJXVBHSA-N	300.333	3.214	10	20	DGCD	
COC(=O)c1ccc(/C=C\c2ccc(N(C)C)c(F)c2)nc1	727655409	WINKWMAVUGLSLK-DAXSKMNVSA-N	300.333	3.244	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C	728301171	KDIZKRDZIYSUFI-CQSZACIVSA-N	324.424	3.373	10	20	DGCD	
COc1ccc(N(Cc2ccco2)C[C@H]2CCOC2)cc1F	739926057	HKGWDHUNONAPJK-CYBMUJFWSA-N	305.349	3.470	10	20	DGCD	
C[C@@H](CNC(=O)c1cc(O)cs1)Oc1ccc(Cl)cc1	743759600	IPJUKGVAXHCQFI-VIFPVBQESA-N	311.790	3.304	10	20	DGCD	
C[C@H](NC[C@@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1O	756351118	IXGQVMKBMJNTDE-HZMBPMFUSA-N	310.344	3.217	10	20	DGCD	
C[C@H]1C[C@@H](NCCCOC2CCOCC2)c2c(O)ccc(F)c21	756734788	ZNWOCXMHIKFWDK-SWLSCSKDSA-N	323.408	3.255	10	20	DGCD	
CCN(Cc1nc2ccc(OC)nc2[nH]1)c1ccc(OC)cc1	760858736	HFVZBCIJYRALCN-UHFFFAOYSA-N	312.373	3.002	10	20	DGCD	
CCN(Cc1cc(C)ccc1O)C[C@@H]1COc2ccccc2O1	768180585	LVYKULFXWNWNER-MRXNPFEDSA-N	313.397	3.363	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COC1(C)CCC1	772998544	MILMMNOTLDVFBP-UHFFFAOYSA-N	318.461	3.449	10	20	DGCD	
CC(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	775404570	OBFPPIIHDBXDFW-ZDUSSCGKSA-N	310.397	3.446	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCC1Cc2ccccc2C1	779542233	NJWMRXBVMLXVFF-VURMDHGXSA-N	323.392	3.032	10	20	DGCD	
OC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F	809697885	QYTDQXLUGSSBAT-PWSUYJOCSA-N	323.742	3.038	10	20	DGCD	
Cc1cc(CN2CCOC[C@@H]2c2ccco2)ccc1N(C)C	815051702	SVJFPIXARUPLIA-QGZVFWFLSA-N	300.402	3.228	10	20	DGCD	
CC[C@H](NC[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Cl)ccc1O	817586534	PIXGJIJTRATKEB-HUBLWGQQSA-N	324.852	3.378	10	20	DGCD	
C[C@H](N[C@H](C)CCCN)c1cc(Br)c(F)cc1O	817977930	RSJUTCAHTCRBAE-BDAKNGLRSA-N	319.218	3.072	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C\c2cnc(C)s2)cn1	823425919	GQUGONXKBOFCDQ-SREVYHEPSA-N	318.446	3.370	10	20	DGCD	
Cc1cc(Cn2cnc([N+](=O)[O-])c2)ccc1N1CCCCC1	828992280	SEEXQWSMWJHMHF-UHFFFAOYSA-N	300.362	3.138	10	20	DGCD	
CN(C)c1ccc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc1F	830636101	VFPYCYJIEKGUMF-UNEWFSDZSA-N	320.408	3.109	10	20	DGCD	
CC[C@@H](NC(COC)COC)c1cc(Cl)cc(Cl)c1O	834891049	LSQAPOSLLGWACV-CYBMUJFWSA-N	322.232	3.401	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@H]2CCc3cccc(O)c32)cc1C	834910139	FRFVTJLHHOOLIW-ROUUACIJSA-N	311.425	3.190	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2c(n1)CCC2	836753680	PGEIPGRYDPQRSH-UHFFFAOYSA-N	324.428	3.266	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](N2CCCC2)[C@H]1C	840946582	SFHULAKCPOXEOA-APWZRJJASA-N	301.478	3.120	10	20	DGCD	
Nc1ccc(CCNC(=O)Nc2cccc(N3CCCC3)c2)cc1	841084180	IGVHOOLATPLYDA-UHFFFAOYSA-N	324.428	3.233	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCCC3(CC3)C2)c([N+](=O)[O-])c1	844214614	RXFQSNWJTKFRMV-HYXAFXHYSA-N	302.330	3.073	10	20	DGCD	
CC[C@H](COCC(F)(F)F)N[C@@H](C)c1cccc(OC)c1O	846169327	GVBVYNFMRPNJKT-WDEREUQCSA-N	321.339	3.409	10	20	DGCD	
CCc1cccc(CNCCOc2ncccc2Cl)c1O	848897474	JOVKRDZLLHHESK-UHFFFAOYSA-N	306.793	3.172	10	20	DGCD	
CC[C@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O	850555418	IFDJQNHWLGJIII-ZFWWWQNUSA-N	304.434	3.080	10	20	DGCD	
COC[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(C)o1	858148442	XFVYPHUNBBBEFJ-HNNXBMFYSA-N	324.371	3.410	10	20	DGCD	
CCCOc1ccc(CN[C@]2(CCOC)CCOC2)cc1C	873115358	MFKXYGFRZFRISY-GOSISDBHSA-N	307.434	3.069	10	20	DGCD	
COc1ccc(CNCC2CC(F)(F)C2)cc1Cn1cccn1	873126822	DIBACFIGHICEPL-UHFFFAOYSA-N	321.371	3.075	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(CC1CC1)C(C)C	893054194	VULHOYYHXFZUGP-UHFFFAOYSA-N	303.450	3.391	10	20	DGCD	
CN=[S@@](C)(=O)c1cccc(NCc2c(O)cccc2OC)c1	895733567	GJTQWXHTKXYBEI-QFIPXVFZSA-N	320.414	3.099	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H](c2ccccn2)C2CC2)cc1	902937997	PYOFHRFJBRSNRS-GOSISDBHSA-N	324.428	3.098	10	20	DGCD	
CCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccc(OC)c(C)c1	1133508833	PQDLPONMYCZPIO-HUUCEWRRSA-N	306.450	3.177	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(CCC(N)=O)cc1	1331382926	WHGMRXHFXLDAJV-UHFFFAOYSA-N	311.429	3.091	10	20	DGCD	
Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(N)cc1	1579930403	MPJCDBJWRLUCKC-UHFFFAOYSA-N	313.382	3.224	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCCC[C@@H]1CCC(=O)O	1594311219	GDQMLSHQPKRIIV-MRXNPFEDSA-N	304.434	3.280	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccccc2CC(=O)O)c(O)c1C	1600374554	ZYYYRZVJUCVYKL-AWEZNQCLSA-N	313.397	3.487	10	20	DGCD	
O=C(O)CCN(Cc1ccccc1)Cc1ccc(F)c(F)c1O	1602007337	CBRVEXQQLAFZSJ-UHFFFAOYSA-N	321.323	3.147	10	20	DGCD	
O=C(O)c1ccc(CN2CCCc3cc(OC(F)F)ccc32)[nH]1	1602337024	HMUWDUSGVVFWOL-UHFFFAOYSA-N	322.311	3.267	10	20	DGCD	
Cc1cc(C(=O)NC2=NCCS2)c(C)n1-c1ccc(F)cc1	61470248	DZINFTSXPFTPQW-UHFFFAOYSA-N	317.389	3.066	10	20	DGCD	
CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(F)ccc1O	78762659	NTMFBPFYQWYSIR-HNNXBMFYSA-N	306.381	3.075	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CSc1ccc(F)cc1	80130071	OUICIEQVTGCWIX-UHFFFAOYSA-N	305.374	3.282	10	20	DGCD	
COC(=O)[C@]1(C)CCN(Cc2ccc(N3CCCCC3)cc2)C1	93813495	GZFUSLSNYUKHGW-LJQANCHMSA-N	316.445	3.062	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1c[nH]c2ccc(F)cc12	115710048	NIYIZAQYULBRPB-UHFFFAOYSA-N	312.344	3.214	10	20	DGCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccc1Cl	122314369	NWCWZSUBHUEFCO-UHFFFAOYSA-N	305.761	3.032	10	20	DGCD	
CCc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1	153327197	AUJKFCBUNRDNNB-UHFFFAOYSA-N	324.424	3.016	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2O3)c(C)n1-c1ccccc1	155317083	UPPJXDPWSOVNTE-SZMVWBNQSA-N	310.397	3.144	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)F	158236344	CYGPKVNGHPDVKU-UHFFFAOYSA-N	318.186	3.251	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1cc(F)cc(F)c1	179176787	DXRNBAJZEYERQV-JYRVWZFOSA-N	308.353	3.421	10	20	DGCD	
COc1cc(O)c(CN2Cc3ccccc3C[C@@H]2C)cc1OC	179445047	GMMHCVTZOFTGQL-ZDUSSCGKSA-N	313.397	3.356	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccc(F)n2)cc1	183968416	ZQGWSQNMAUZGKX-UHFFFAOYSA-N	316.380	3.389	10	20	DGCD	
CSC[C@H](CCO)N[C@H](C)c1cc2c(cc1O)CCCC2	185530571	TYRKPMCVORRIKX-DOMZBBRYSA-N	309.475	3.036	10	20	DGCD	
COCCC1(CNCc2cc(OC)ccc2O)CCCCC1	187698275	YWMIZGCBPORQFU-UHFFFAOYSA-N	307.434	3.477	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCn3cccn3)c2C)c1	194142735	FVMQQIBPUYIADN-UHFFFAOYSA-N	322.412	3.029	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCOc2cc(F)ccc21	255846075	QJAOZYYKAFUQMJ-KXFIGUGUSA-N	318.735	3.313	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H]1CCOC1)c1ccc(Br)cc1O	273604567	SUQBKEJURMUDLZ-OUAUKWLOSA-N	314.223	3.230	10	20	DGCD	
C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1O	276972981	ULSZQIZZWAPDOX-GHMZBOCLSA-N	313.344	3.007	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1	281575810	CWESIHPTQDEOSA-IINYFYTJSA-N	311.809	3.248	10	20	DGCD	
C[C@@]1(CNCc2ccc3c(c2)CCO3)OCCc2sccc21	289781554	KLTWPWZAXARQKM-SFHVURJKSA-N	315.438	3.261	10	20	DGCD	
COc1ccc(C(C)(C)CNC(=O)c2cc(O)cs2)cc1	732279543	UXOWTHFOAGFBAJ-UHFFFAOYSA-N	305.399	3.170	10	20	DGCD	
COc1ccc(O)c(CNC(=S)Nc2cc(C)ccc2F)c1	733906408	LPLDPTVZBFKOJU-UHFFFAOYSA-N	320.389	3.335	10	20	DGCD	
C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cc2c(cc1O)OCO2	734477168	LWCCUDCUOUJOFF-HIFRSBDPSA-N	311.381	3.499	10	20	DGCD	
COC[C@@H]1CCN(Cc2c(O)ccc3ccc(OC)cc23)C1	739868797	FMHUFPFTOSLMKM-CYBMUJFWSA-N	301.386	3.022	10	20	DGCD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccccc1O	743328383	SRIFVBUWUBWWOZ-UNEWFSDZSA-N	305.418	3.382	10	20	DGCD	
CCOc1ccc(N(CC)C[C@@H](O)COCc2ccco2)cc1	747682461	LGNGIRWVAOZXMZ-MRXNPFEDSA-N	319.401	3.082	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCSC2)cc1	748961403	SCWXZJPZORNJDX-OAHLLOKOSA-N	321.490	3.228	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCN2C[C@H](C)C[C@@H](C)C2)c1	756415901	MDOQGGONRNWQJM-KFWWJZLASA-N	306.450	3.029	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)cc1O	756585331	JNPLAAWIJWQUGM-ZUZCIYMTSA-N	301.365	3.358	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)c1	756762566	PJHJIOGDZBEECP-YOEHRIQHSA-N	316.445	3.285	10	20	DGCD	
CCC(CC)(CC)CNC(=O)NCc1cc(OC)ccc1O	759579881	MQCVOKAJUSCBQL-UHFFFAOYSA-N	308.422	3.416	10	20	DGCD	
C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Cl)c1	762267394	JIBCDWJYLDAORG-LLVKDONJSA-N	319.788	3.214	10	20	DGCD	
CC[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1	774471177	KUPJGKCYAWMLMP-MSOLQXFVSA-N	318.461	3.479	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2ccc(OC)cc2O)C12CCCC2	776224263	RQRHYIKPLUYCCL-IAGOWNOFSA-N	305.418	3.228	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1C[C@H](C)Oc2cc(F)ccc21	784045946	CQGXDNBTMIWETH-RJNRQISESA-N	312.344	3.356	10	20	DGCD	
C[C@H](NC[C@H]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1O	788774370	CREUKYHKKZBQJP-GARJFASQSA-N	303.324	3.223	10	20	DGCD	
Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)no1	806099527	NHHBFVGTJUIPCT-UHFFFAOYSA-N	316.144	3.317	10	20	DGCD	
COc1ccc(CNCc2ccc3c(c2)CCO3)c(C)c1OC	808384998	HPAJHBGOVWVEEJ-UHFFFAOYSA-N	313.397	3.237	10	20	DGCD	
Oc1c(CN2CC[C@H](CN3CCCC3)C2)ccc2ccccc12	816514976	LVUYWXOXJMILHD-MRXNPFEDSA-N	310.441	3.463	10	20	DGCD	
CC[C@@H]1CCC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1	819169164	XSNRUQAZCLSYIF-HIFRSBDPSA-N	316.401	3.125	10	20	DGCD	
CN(CCc1ccncc1)Cc1ccc(Br)cc1O	825500786	HYFMDMMKXFDVEA-UHFFFAOYSA-N	321.218	3.224	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[C@@]2(C)N)cc1	827340464	AWJPREMQPRFPGG-IEBWSBKVSA-N	317.477	3.057	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	837321041	OQVAICVUZGRGGQ-KURKYZTESA-N	316.445	3.059	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC[C@@H]1C[C@@H](O)c1cccs1	839707139	SUBUMQKTIIXNQU-ZYHUDNBSSA-N	323.439	3.244	10	20	DGCD	
COCC[C@@H](C)CN[C@H](C)c1ccc(Br)cc1O	840835873	RLZHMQMKMYXJRG-GHMZBOCLSA-N	316.239	3.478	10	20	DGCD	
COC1([C@@H](C)NCc2cccc(Br)c2O)CCC1	840970143	QMAMDQZEBMEPTA-SNVBAGLBSA-N	314.223	3.202	10	20	DGCD	
C[C@@H]1CCC[C@H](N2CCC(NCCc3ccc(N)cc3)CC2)C1	841034705	JSPJGNAWCJJUHM-UZLBHIALSA-N	315.505	3.444	10	20	DGCD	
C[C@H](NCCc1cn2c(n1)CCCC2)c1ccc(Cl)cc1O	841745660	RYRHLDHVWAXEDB-LBPRGKRZSA-N	319.836	3.472	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(CC(F)F)C1)c1ccc(Cl)cc1O	841763099	URXBLBIFPOZPKF-MWLCHTKSSA-N	304.768	3.036	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC(F)(F)C1	844887751	LRUBFEWNGSBAAR-UHFFFAOYSA-N	323.387	3.228	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H]2CCc3ccccc3OC2)c1O	846169043	XOZIAYPSWAIFCR-HIFRSBDPSA-N	313.397	3.445	10	20	DGCD	
CCc1cccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1O	848912082	AHRKNOWBCNLWCZ-OAHLLOKOSA-N	305.809	3.252	10	20	DGCD	
CCOc1ccc(CN[C@H](CC(=O)OC(C)C)C(C)C)c(O)c1	848927450	ZZDGYQCTZXVNDF-MRXNPFEDSA-N	323.433	3.247	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnc1F	857610339	LWWHZFMEJUIFMK-LBPRGKRZSA-N	301.365	3.086	10	20	DGCD	
COc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1C	862481667	ZWBMFTZNIZMBQC-UHFFFAOYSA-N	318.329	3.238	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1O	868460964	IBVBZADYOCRQAH-WWGRRREGSA-N	320.433	3.346	10	20	DGCD	
C[C@@H](NC(=O)NCCC[C@@H]1CCCCO1)c1ccccc1O	868501259	HDGRTJAYSSAPAU-KGLIPLIRSA-N	306.406	3.102	10	20	DGCD	
N[C@H]1C[C@@H](CN[C@@H](CCc2ccccc2)c2ccccc2O)C1	873251803	OJOUVRNPXAJZSF-SCTDSRPQSA-N	310.441	3.393	10	20	DGCD	
Cc1cccc(O)c1CNc1cnn(C2CCOCC2)c1C	877557834	YDDXAXSYKAULHN-UHFFFAOYSA-N	301.390	3.169	10	20	DGCD	
CN(C)c1ccc([C@H]2NC(C)(C)C(=O)N2c2ccccc2)cc1	877857665	XBGLTMVTPQVAGA-KRWDZBQOSA-N	309.413	3.166	10	20	DGCD	
COC1CCN(c2ccc(CN3CCC[C@@H](CF)C3)cc2)CC1	880238510	TUFLZEVUCWQLLA-KRWDZBQOSA-N	320.452	3.483	10	20	DGCD	
CN1CCN(c2ccc(CNc3nccc4occc34)cc2)CC1	882880255	JYKQBMPBXMOSGV-UHFFFAOYSA-N	322.412	3.192	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1c(F)cccc1F)c1c(O)cccc1F	886550437	ZTVASUZNRBXMMG-YMTOWFKASA-N	311.303	3.194	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)CC(=O)OC(C)(C)C)c1	1116568790	USUJSJIZOSTUGG-VXGBXAGGSA-N	309.406	3.172	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3ccncc3C)CC2)cc1	1205873036	LWHQTVZTIXTXBO-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
O=C1N[C@H](c2cc(O)ccc2O)Nc2c1sc1ccccc21	1318850794	OYDGLZAAJOQHCI-OAHLLOKOSA-N	312.350	3.167	10	20	DGCD	
C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1ccc(N(C)C)cc1	1341874247	CRHAKASPWCQSAY-CQSZACIVSA-N	311.429	3.344	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)c1nccs1	1604186072	VVUCWVQTGNUWKT-VHSXEESVSA-N	306.387	3.001	10	20	DGCD	
CN(Cc1ccc(Cl)cc1O)[C@H](C(=O)O)c1ccccc1	1606157416	OITWNMJYAAVFIP-HNNXBMFYSA-N	305.761	3.303	10	20	DGCD	
COc1ccc(O)c([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1	77430981	JOBQDRBQKIAMTE-OAHLLOKOSA-N	318.760	3.251	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(F)cc1F	87299389	DINQGHLIOGMNLO-UHFFFAOYSA-N	318.367	3.198	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCOC2CCOCC2)cc1	90083874	ICVMBHWEWFHFIR-INIZCTEOSA-N	320.477	3.379	10	20	DGCD	
C[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	103413689	YCGOJFXJJQVXCL-RISCZKNCSA-N	314.351	3.300	10	20	DGCD	
CC[C@@H](CCO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	152101552	DNSNPDYFFCSNKO-HNNXBMFYSA-N	318.392	3.124	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCCCSc2nccs2)[C@H](C)C1	154662062	JQJIBRVQFPXHDJ-VXGBXAGGSA-N	313.492	3.455	10	20	DGCD	
O=C(/C=C/c1cccc(O)c1)NCc1c(O)ccc2c1CCCC2	156412952	ACERSWWLCYOKHW-DHZHZOJOSA-N	323.392	3.306	10	20	DGCD	
CC(C)Cc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1	159123057	ATVBGHCDGQDJCZ-UHFFFAOYSA-N	313.397	3.155	10	20	DGCD	
O=C(Cc1ccsc1)NCc1c(O)ccc2c1CCCC2	174518628	JUWGJFUEILSUKF-UHFFFAOYSA-N	301.411	3.191	10	20	DGCD	
C[C@@H](NCc1ccoc1)c1ccc(N2CCOCC2)c(F)c1	178476870	JBBLDJBADYWQBN-CYBMUJFWSA-N	304.365	3.106	10	20	DGCD	
Cc1cccc(CNC[C@H](NC(=O)OC(C)(C)C)C2CC2)c1O	225931721	PGVFWKAJBGPWAA-HNNXBMFYSA-N	320.433	3.094	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)s1)NCCc1ccc(O)c(O)c1	255778297	ZKVLHKPEDNEBJX-UTCJRWHESA-N	323.801	3.185	10	20	DGCD	
CCCOc1ccc(CNC[C@](C)(O)c2ccsc2)c(O)c1	265877528	NNPCFTXYPBDWAF-KRWDZBQOSA-N	321.442	3.240	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn2ccc(C)cc12	271105706	MKMSBQWMNPGOOJ-UHFFFAOYSA-N	323.396	3.401	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H]2COC3(CCCC3)O2)c(O)c1C	273488127	NRBHQSBHDFAASF-GJZGRUSLSA-N	305.418	3.345	10	20	DGCD	
Cc1ccc([C@H](C)NCc2cccc(-n3cncn3)c2)c(O)c1C	273621549	ZFKHCPDBBUVTBI-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2CCCO2)c(C(F)(F)F)c1	280066688	XHHYMUVVHYTAQQ-CYBMUJFWSA-N	302.340	3.040	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCC[C@@H](C)OC	283554718	FJBTYOUZSUTATB-CQSZACIVSA-N	308.422	3.129	10	20	DGCD	
OCC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1	288385477	GLBFNDCBYYOQLZ-KRWDZBQOSA-N	317.816	3.488	10	20	DGCD	
Cc1cc(C(=O)N2CCC(=O)CC2)c(C)n1-c1ccc(F)cc1	298284408	BWZQLLUTQQLUCO-UHFFFAOYSA-N	314.360	3.038	10	20	DGCD	
CC[C@@](C)(CNCc1cc(Br)ccc1O)OC	322751189	CFKOMGMRXQJRDU-ZDUSSCGKSA-N	302.212	3.059	10	20	DGCD	
C[C@H](N[C@@H]1CCc2c[nH]nc2C1)c1ccc2ccccc2c1O	370399706	VMOXWRMDJRQKEL-SWLSCSKDSA-N	307.397	3.477	10	20	DGCD	
CC[C@@H](N[C@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1O	376861890	VKPWYYGIFNNLNK-SMDDNHRTSA-N	305.809	3.367	10	20	DGCD	
O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(O)cs1	733003153	XJMRDSOSKZERGB-UHFFFAOYSA-N	321.358	3.364	10	20	DGCD	
C[C@@H](NCCOCc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756634609	BFFUETGKZLULTI-CYBMUJFWSA-N	316.357	3.168	10	20	DGCD	
C[C@@H](CCCO)N[C@H](C)c1cc(Br)c(F)cc1O	756647993	VFWMNSJZZUZZMC-DTWKUNHWSA-N	320.202	3.105	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@]2(C)CO)cc1	760093529	DMAPJURXDQPCSN-LJQANCHMSA-N	312.413	3.081	10	20	DGCD	
CC(C)n1cc(CN(C)c2ccc(OCCN(C)C)cc2)cn1	761219752	BYJIQWIGABGZPM-UHFFFAOYSA-N	316.449	3.041	10	20	DGCD	
C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)c1ccc(N(C)C)cc1	773005825	DAMFCYFKZABQOO-CYBMUJFWSA-N	314.433	3.195	10	20	DGCD	
C[C@@H](NC(=O)c1cc(Cl)ccn1)c1ccc(N(C)C)cc1	773015612	QSBYTXRPUSQYMV-LLVKDONJSA-N	303.793	3.292	10	20	DGCD	
COc1cc(Br)cc(CN2CC[C@H]2C(C)C)c1O	775765774	RFPCIXYWHJZALY-LBPRGKRZSA-N	314.223	3.394	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cccc3cc[nH]c23)c1O	776069649	XRRSGHPORSJJOJ-UHFFFAOYSA-N	311.341	3.204	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCc2cocn2)c1O	779039196	AQZUJGYDBIVVJP-VIFPVBQESA-N	311.179	3.302	10	20	DGCD	
C[C@H]1CN(c2ccc(CN[C@@H]3CC[C@@H]3C)cc2F)C[C@@H](C)O1	783220446	DZRQDYINIIXOTA-SZOQZIPDSA-N	306.425	3.327	10	20	DGCD	
CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCCC1	784385912	MEQVNUZYFPVAJJ-UHFFFAOYSA-N	306.358	3.040	10	20	DGCD	
COc1cccc(CNc2ncnc3scc(C)c23)c1O	794784060	SFHLUMIRMHOWPO-UHFFFAOYSA-N	301.371	3.326	10	20	DGCD	
Cc1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1	800502361	AQKNIYYCGVNEIH-GJZGRUSLSA-N	315.417	3.231	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCc3ccccc3OC2)c1	800987148	QUTLMRDAVWQYHE-HIFRSBDPSA-N	313.397	3.445	10	20	DGCD	
CCCCN(CCC(=O)N1CCCCC1)Cc1ccccc1O	801596506	CFFVCBVSGZHJFD-UHFFFAOYSA-N	318.461	3.397	10	20	DGCD	
COc1ccc(N(C)Cc2c(C)cc(C)nc2OC)c(OC)c1	805748014	KWFVRJCMHOGLCH-UHFFFAOYSA-N	316.401	3.361	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cnc([C@H](C)O)s1	809635881	NGUIAWPKZLQHHB-NSHDSACASA-N	304.415	3.158	10	20	DGCD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(Cc1cc(Cl)cc(F)c1O)C[C@@H]3C2	809698246	WRJGPBGQFTXCCA-BUEXFPSZSA-N	311.784	3.040	10	20	DGCD	
CN(C)c1ccc(OCC(=O)N[C@H](c2ccccc2)C2CC2)cc1	810000247	GFWIGNPQWLWEAH-HXUWFJFHSA-N	324.424	3.399	10	20	DGCD	
CC[C@H](NCC1(C)OCCO1)c1ccc(C(F)(F)F)cc1O	810229112	SGTFMBVWXDKWHC-LBPRGKRZSA-N	319.323	3.215	10	20	DGCD	
COC[C@H](C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	812881978	IPUSUDXFZRNCPS-JKSUJKDBSA-N	320.477	3.408	10	20	DGCD	
Cc1cc(CN[C@H](CO)c2ccc(F)cc2)ccc1N(C)C	815087597	WOARGOATNVMUTE-QGZVFWFLSA-N	302.393	3.023	10	20	DGCD	
COc1ccncc1CN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	815629236	XSXQTWKWHNJKTA-MFKMUULPSA-N	302.349	3.273	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCc2nccnc2C)c1O	815651634	YPQITWGEAPEMLD-LLVKDONJSA-N	305.809	3.346	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cc(C)nc(C)c2)c1	817589414	NMTXHDIGKCHGRK-ZDUSSCGKSA-N	314.385	3.041	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCCN2)cc1F	817901172	SVONSIRNCZUOKW-CGTJXYLNSA-N	319.468	3.292	10	20	DGCD	
CCCNC(=O)[C@@H]1CCCN(Cc2cc(Cl)c(C)cc2O)C1	824650473	QJOGJQSJGWVSPV-CYBMUJFWSA-N	324.852	3.092	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C(=O)OC(C)C)C(C)C)c1	824846631	UTEZTZWYKSNWFZ-WBMJQRKESA-N	309.406	3.028	10	20	DGCD	
CCN(Cc1cc(OC)c(OC)cc1O)c1cccc(O)c1	827909731	XGKQDIHIYUOSNA-UHFFFAOYSA-N	303.358	3.142	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC2(C)C)c1	838473727	BHUOHPKVJXLBFO-ZDUSSCGKSA-N	306.406	3.026	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(CN(C)C)c(C)c2)c1	839188196	CWDNHMLAQXBZQI-UHFFFAOYSA-N	300.402	3.383	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCC[C@H]1F	840440730	GQCIMADMJQWGNK-HZPDHXFCSA-N	320.408	3.351	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cnc(C2CC2)nc1	840977116	RLTXBCBKHSCITD-OAHLLOKOSA-N	324.472	3.449	10	20	DGCD	
CCC1(CC)[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H](C)[C@H]1OC	841295580	BVCYYYKCXICKHD-KCPJHIHWSA-N	305.422	3.230	10	20	DGCD	
Oc1c(F)cccc1CN1CCNC[C@@H]1c1ccccc1Cl	843119249	SGWFVHPJWAOQHH-MRXNPFEDSA-N	320.795	3.331	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](C(=O)OC(C)C)C(C)C)c1O	846169193	PZVFUVMQVLWECX-DOMZBBRYSA-N	309.406	3.028	10	20	DGCD	
CCc1cccc(CN2CCCC[C@@H]2c2noc(C)n2)c1O	848884103	XGEYMXRNAFUCLG-OAHLLOKOSA-N	301.390	3.373	10	20	DGCD	
CCc1cccc(CNC[C@H](c2ccsc2)N(C)C)c1O	848893219	TVRFZHKDRFHWLG-MRXNPFEDSA-N	304.459	3.409	10	20	DGCD	
CON(C)CCN[C@H](C)c1ccc(N2CCCCCC2)cc1	850481156	YFDXLYRRLLPYLS-MRXNPFEDSA-N	305.466	3.211	10	20	DGCD	
C[C@@H](NCCN(C)CC(F)F)c1ccc2ccccc2c1O	858596647	IFYDALXAIXCALP-GFCCVEGCSA-N	308.372	3.393	10	20	DGCD	
CO[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C1CC1	863164715	TUWDOMVFHJDWEO-GOSISDBHSA-N	312.413	3.135	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(O)nc2)cc1F	865456073	JPAFJIZUIXTDHK-UHFFFAOYSA-N	303.381	3.062	10	20	DGCD	
Cc1cccc(O)c1CN(C)Cc1c(C)nc2sccn12	876682718	NOKYHOPUVGGCOY-UHFFFAOYSA-N	301.415	3.350	10	20	DGCD	
Cc1ccc(CNc2ccc(N3C(=O)CCCC3=O)cc2)c(O)c1	876847139	WJCVMITWMGOHST-UHFFFAOYSA-N	324.380	3.356	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@H]3CCCCS3)cc2)CC1	877302756	KELLPFPMLZZBKU-GOSISDBHSA-N	320.502	3.023	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)c1ccc(F)cc1)c1c(O)cccc1F	886527919	CKVZNDYHOKNKRC-DINDLPBHSA-N	307.340	3.443	10	20	DGCD	
COc1cc(C)cc(CN2CCCCC[C@@H]2C[C@H](C)O)c1O	894748838	XPNBCCMUQLZRHT-GOEBONIOSA-N	307.434	3.225	10	20	DGCD	
COc1ccc(CN2CC(C3CCCCC3)C2)c(O)c1OC	894825279	KBJWFPCQKTWFDS-UHFFFAOYSA-N	305.418	3.422	10	20	DGCD	
CCc1cccc(CN2CCc3cc(O)c(OC)cc3C2)c1O	895887257	ISDCELUQGGKIKL-UHFFFAOYSA-N	313.397	3.227	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNc1cnn(C2CCC2)c1	897874134	SMKZTUZPSCRXMH-UHFFFAOYSA-N	312.417	3.057	10	20	DGCD	
CC(C)CCC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	900046883	VKLPOICCGZYBMR-INIZCTEOSA-N	305.418	3.381	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1CC(=O)O	902556353	HEHAKQKBLWCJBA-NVXWUHKLSA-N	316.445	3.220	10	20	DGCD	
CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(O)cc2O)cc1	910951237	PTCJTWCQBKFHBK-GFCCVEGCSA-N	315.369	3.205	10	20	DGCD	
C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1	920053410	FWJLMTSNDZBXLP-AWEZNQCLSA-N	301.434	3.132	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@@H]2CCC[C@@H]2C)cc1C	1127929609	UUTLLKMRQBSSAD-YOEHRIQHSA-N	318.461	3.036	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@](CO)(C(C)C)C2)cc1	1325928097	HIQKJTOINWSISJ-IBGZPJMESA-N	304.478	3.373	10	20	DGCD	
Cc1cc(CN2CCCC[C@@H]2CN)ccc1N1CCCCC1	1579598448	WJNNDCONEWFKEP-GOSISDBHSA-N	301.478	3.299	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(C)C2Cc3ccccc3C2)cc1	56514931	UCHSMELDRLJLSM-UHFFFAOYSA-N	323.440	3.061	10	20	DGCD	
CC(C)CN(C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1	57646934	XVAPTHMSMYJGLZ-UHFFFAOYSA-N	307.413	3.222	10	20	DGCD	
COc1ccc(CNCc2ccc(N(C)C)cc2C)c(OC)c1	115629073	WBQXSUJKBFISDY-UHFFFAOYSA-N	314.429	3.368	10	20	DGCD	
CCC(O)(CC)CN[C@H](C)c1ccc(Br)cc1O	185231500	SYSWTHSFSYJDSR-SNVBAGLBSA-N	316.239	3.356	10	20	DGCD	
C[C@H](NCCN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1O	185313807	OPUOZQOBXKWVCI-NSHDSACASA-N	312.385	3.049	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCc2cccnc21	195345895	KQWCERARUIWWEO-GOSISDBHSA-N	323.440	3.226	10	20	DGCD	
C[C@H](CO)CCCN[C@H](C)c1ccc(Br)cc1O	273546728	ZNBIJEBFZBRNFC-WDEREUQCSA-N	316.239	3.214	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@](C)(O)C1CC1	282436486	HVAYXEHOGLGNOE-SFHVURJKSA-N	305.418	3.072	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2cncn2C)c1C	291314100	UDUCWPCSOCRHRD-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
CCC[C@H](CNC(=O)c1cc(C)n(-c2ccccn2)c1C)OC	295461081	PZYJOAKHQWGXGO-OAHLLOKOSA-N	315.417	3.034	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H](O)c1cc(F)cc(Cl)c1)CC2	296247281	BCEYGGXIDIWEES-ZBFHGGJFSA-N	321.779	3.495	10	20	DGCD	
CCCN1CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1	389218093	DNYQMKBKBDAUEE-SFHVURJKSA-N	301.478	3.251	10	20	DGCD	
COc1cccc([C@H](CN[C@H]2CCc3cccc(O)c32)OC)c1	527924356	GUAROTVBRGQKJW-WMZOPIPTSA-N	313.397	3.365	10	20	DGCD	
C[C@H](c1ccccc1F)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	588404383	OZXKCLTYDYBWQV-VPUINMBXSA-N	315.344	3.470	10	20	DGCD	
CCc1cccc(CNCC[C@H](C)NC(=O)OC(C)(C)C)c1O	691506149	BGDGBNDGGAIKOO-ZDUSSCGKSA-N	322.449	3.348	10	20	DGCD	
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccccc1O	733360288	GWSMJDXKZCYKMN-SNVBAGLBSA-N	323.751	3.268	10	20	DGCD	
CCOc1ccc(SCC(=O)N(C)c2ccc(N)cc2)cc1	746477686	RXQIMIGXYLRWSL-UHFFFAOYSA-N	316.426	3.423	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCCn1ccccc1=O	747317833	ACUMOXOFFCOKPN-UHFFFAOYSA-N	311.410	3.041	10	20	DGCD	
CC[C@H](O)CCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1	748551607	PLEBOBHMXOGZPU-SFHVURJKSA-N	314.429	3.375	10	20	DGCD	
CC1CCN([C@@H](C)CN[C@@H](C)c2cc(F)cc(F)c2O)CC1	756504030	OPZGFTBMIGOZHY-STQMWFEESA-N	312.404	3.441	10	20	DGCD	
COC1CCN(C(C)(C)CN[C@H](C)c2ccc(C)cc2O)CC1	756555064	QIPMWDQVYPCMFE-OAHLLOKOSA-N	320.477	3.241	10	20	DGCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)ccc1C	758775426	WSJBHARZXLQVNB-UHFFFAOYSA-N	319.382	3.012	10	20	DGCD	
C[C@H](NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccccc1O	760040455	KHYRGGQCVNAZLB-SOVGHPHASA-N	315.388	3.348	10	20	DGCD	
CCCc1nc(CN2CCCCc3cc(OC)ccc32)no1	766271320	ZJHTUDDVXCPTSY-UHFFFAOYSA-N	301.390	3.374	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2ccsc2)c1	768911748	SYNWVLIXSKJXEZ-GQOHGMTASA-N	303.383	3.353	10	20	DGCD	
COc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1F	772995419	BLMIGDLBQUTGML-GFCCVEGCSA-N	316.376	3.391	10	20	DGCD	
C[C@H](NCC(=O)N1[C@@H](C)CCC[C@H]1C)c1ccc(N(C)C)cc1	775829945	BEMNUBYAXSGBMQ-XHSDSOJGSA-N	317.477	3.193	10	20	DGCD	
C[C@H](NCCCCCn1cccn1)c1ccc(N(C)C)cc1	775834033	JCVJKFJKEMWPSS-INIZCTEOSA-N	300.450	3.470	10	20	DGCD	
Cc1cc(C(=O)NCc2ccccc2O)nn1C1CCCCC1	776472837	DUDALOPFBZNGAC-UHFFFAOYSA-N	313.401	3.332	10	20	DGCD	
COC(=O)CCc1cccc(NCc2c(O)cccc2OC)c1	786580061	XDNZCUOTHIDVFT-UHFFFAOYSA-N	315.369	3.119	10	20	DGCD	
CN(C)c1ccc(CN(CCO)C2CCC2)c(C(F)(F)F)c1	793168064	HYWWCZNGRFWKLR-UHFFFAOYSA-N	316.367	3.118	10	20	DGCD	
CC[C@H](O)CCNCc1ccc2c(c1)CCN2Cc1ccccc1	796320550	PODWBXLGXYIJQN-FQEVSTJZSA-N	324.468	3.500	10	20	DGCD	
CC[C@H](NCC1CCN(C(=O)OC)CC1)c1ccc(F)cc1O	797089316	CBPGYNOJELXQDH-HNNXBMFYSA-N	324.396	3.050	10	20	DGCD	
C[C@@H]1CCC[C@@H]1CNC(=O)NCCCSc1nccs1	798437525	JPLPTNBBEDUNRK-VXGBXAGGSA-N	313.492	3.361	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)F)cc1	808093830	VTSOGPBULZDTCG-UHFFFAOYSA-N	313.325	3.439	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@H]2C[C@@H](OC)C23CCC3)c1	825104224	RINBYMGHYWOTRW-DLBZAZTESA-N	305.418	3.180	10	20	DGCD	
COc1cc(CN2CCC[C@H]2CCO)c(O)c(C(C)(C)C)c1	825566893	BKXIZOOYFJQYBQ-AWEZNQCLSA-N	307.434	3.045	10	20	DGCD	
Cc1cc(CN2CC[C@@H]([C@H](C)O)C2)ccc1N1CCCCC1	828755376	MTLCKXBVQHLDIB-FUHWJXTLSA-N	302.462	3.188	10	20	DGCD	
CC(=O)N1CCc2c(N[C@H]3CCc4cccc(O)c43)cccc21	834768696	DPVVESPETOMGFX-INIZCTEOSA-N	308.381	3.401	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1cc(F)ccc1O)Cc1ccccc1	834857052	YLDBOEYZJBXBFF-BBRMVZONSA-N	303.377	3.440	10	20	DGCD	
COc1cccc([C@H](C)NCCCOCC(F)(F)F)c1O	846139647	QCGKHTDEXTXZBO-JTQLQIEISA-N	307.312	3.020	10	20	DGCD	
CCN(CC)c1ccc(CNC(=N)N2CCC[C@H](C)C2)cc1	849072483	OFNSAXQIOFHATL-HNNXBMFYSA-N	302.466	3.289	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCN(C3CCCCC3)C2)cc1	850381760	JCOOQLDSTKIVFJ-KRWDZBQOSA-N	301.478	3.249	10	20	DGCD	
C[C@@H](NC[C@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2	850544674	IKGAPNINGDSPRT-UKRRQHHQSA-N	303.446	3.330	10	20	DGCD	
CCC(=O)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1	881378619	FTYLSDMXYXIRME-UHFFFAOYSA-N	312.417	3.218	10	20	DGCD	
CC(C)n1cc(Cl)c(NC(=O)N(C)Cc2ccccc2O)n1	889537599	HGALYQZLOFXYLP-UHFFFAOYSA-N	322.796	3.487	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCOc3ccc(F)cc32)c1O	894231149	NZMDUWJCOXHTPV-OAHLLOKOSA-N	317.360	3.462	10	20	DGCD	
CC[C@@H](CNCc1ccc(OC)c(OC)c1O)CC(F)(F)F	894906626	RSBUEUBSKDHBNM-SNVBAGLBSA-N	321.339	3.478	10	20	DGCD	
COc1cc(Cl)cc(CNCCc2cccnc2C)c1O	898253908	YFHSEDSQYIIXKL-UHFFFAOYSA-N	306.793	3.090	10	20	DGCD	
CN(C)c1ccc(/C=C\CN2CCCCC[C@H]2C(=O)O)cc1	902039145	LZIMDSFVXSBGSC-TUYSUELWSA-N	302.418	3.095	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](CCO)C(F)(F)F	1119375996	KOKDQJGUHRCBOM-CKYFFXLPSA-N	303.324	3.152	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@@H]2CC[C@@H](C)C2)cc1C	1132538870	RPASYBFCRKKZAM-GDBMZVCRSA-N	318.461	3.036	10	20	DGCD	
C[C@H](C[C@@H](O)c1ccco1)NCc1ccc(N2CCCC2)cc1	1319831334	VDFKPJOFJJTFEQ-CRAIPNDOSA-N	314.429	3.482	10	20	DGCD	
C[C@@H](NCc1cc(OCC(F)F)ccn1)c1ccccc1O	1320137666	YGHXFWGVKQUKLE-LLVKDONJSA-N	308.328	3.282	10	20	DGCD	
CCOC(=O)C[C@H]1CCCN1Cc1cc(Cl)c(F)cc1O	1343973477	VVGMSMQBTKKLPD-LLVKDONJSA-N	315.772	3.102	10	20	DGCD	
CC(C)c1ccc(O)c(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c1	1588968594	MMUHDBBTJVSCOA-JKSUJKDBSA-N	303.402	3.058	10	20	DGCD	
C[C@H](NCCCCC(=O)O)c1cccc(C(F)(F)F)c1O	1589128108	KGIDAQVEGDPUSK-VIFPVBQESA-N	305.296	3.317	10	20	DGCD	
O=C(O)CC[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1601976815	YFWVQUWBHUFLDR-INIZCTEOSA-N	316.445	3.364	10	20	DGCD	
Cc1ccncc1[C@@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1610537073	WTLFYBHOLYARPJ-VXGBXAGGSA-N	300.358	3.206	10	20	DGCD	
CCCC[C@@](C)(NCc1c(O)ccc(Cl)c1F)C(=O)O	1776768325	FXQXZVFVJOASIY-CQSZACIVSA-N	303.761	3.308	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)[C@@H]2CCc3ccccc32)cc1	1777039633	BSIGSLHNALGMPC-RTBURBONSA-N	324.424	3.025	10	20	DGCD	
CN(C)c1ccc(CNCc2ccccc2CCC(=O)O)cc1	1777040070	DXMQESWVIADZQK-UHFFFAOYSA-N	312.413	3.060	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1O	105653018	BNBQQZJPWDHQSV-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1	107937959	CXTAFYQIGLYEDX-CYBMUJFWSA-N	306.406	3.046	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC(c3nc(C)no3)CC2)c1	178870079	CCIWFKFTUJWGCF-UHFFFAOYSA-N	301.390	3.080	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)noc1C	175968610	MBLQQLXKGJXOES-UHFFFAOYSA-N	301.390	3.020	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C[C@H](C)O)c2ccccc2)c1O	175626531	KCIZKKSQLNYPQS-LBPRGKRZSA-N	317.360	3.121	10	20	DGCD	
COc1ncc(Cl)c(NCc2ccc(N(C)C)cc2C)n1	301721527	MYLHACHMRSUHIC-UHFFFAOYSA-N	306.797	3.125	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1C	178562483	CWYZXHYYTOIFNT-HUUCEWRRSA-N	301.434	3.227	10	20	DGCD	
COc1cc(N(C)Cc2cncc(C)c2)cc(OC)c1OC	189899526	VNDKUBOQNGEZIQ-UHFFFAOYSA-N	302.374	3.052	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc2ccccc2c1O)C(=O)NC(C)(C)C	181234541	NJWFXNYZLJONKR-STQMWFEESA-N	314.429	3.499	10	20	DGCD	
CCN(C)C(=O)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1	186822736	XKFHFWSSKYVCOT-INIZCTEOSA-N	317.477	3.196	10	20	DGCD	
COc1ccc(O)c(CN[C@H]2CCc3c(cccc3OC)C2)c1	192445483	SLTZZKASCBDBLG-HNNXBMFYSA-N	313.397	3.057	10	20	DGCD	
CCN(CC)c1ccc(CNC2C[C@H]3CC[C@H](C2)N3C)cc1	192696851	XJNWSTVQXMXQTI-RTBURBONSA-N	301.478	3.248	10	20	DGCD	
CC[C@H](NCCCOC1CCOCC1)c1ccc(N(C)C)cc1	90083103	DOHNMJRJHORJPK-IBGZPJMESA-N	320.477	3.379	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN[C@@H]1CCN2CCCC[C@@H]12	236676801	LTISOUGZWPHBQU-UXHICEINSA-N	313.489	3.393	10	20	DGCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccco1	237541838	FBVOMMLHYNMZPF-ZDUSSCGKSA-N	304.365	3.106	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@](C)(O)C(F)(F)F)cc1	271491089	KUBCALNAESEEDC-RISCZKNCSA-N	304.356	3.107	10	20	DGCD	
CC[C@@H](NC[C@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1O	287102644	QDNWWZOOCFJJKL-CZUORRHYSA-N	324.852	3.345	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1C	289699188	ONQIFPFUUHOWGF-ZIAGYGMSSA-N	317.351	3.002	10	20	DGCD	
C[C@H](NCC1([S@](C)=O)CCC1)c1ccc2ccccc2c1O	280884235	BAYHGTWHYJYDGC-XMHCIUCPSA-N	317.454	3.497	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)nc1)N1CCc2cc(F)ccc21	801076332	HBIYQNUKBOLSHT-QHHAFSJGSA-N	302.736	3.477	10	20	DGCD	
Cc1cc(C)cc([C@H](O)CNCc2c(O)cccc2Cl)c1	800896451	JYDXBWPDMWWWBY-QGZVFWFLSA-N	305.805	3.486	10	20	DGCD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(Cc1c(O)ccc(Cl)c1F)C[C@@H]3C2	809696981	BDTDPWLFGRLDII-YVYBEKNCSA-N	311.784	3.040	10	20	DGCD	
CCOC1CC(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1	807576204	XSXZKJCNCWBTMV-UHFFFAOYSA-N	318.461	3.305	10	20	DGCD	
CN1CCCc2cc(CNCCC(=O)Nc3ccccc3)ccc21	818984968	JPMYDJSIFMNHMQ-UHFFFAOYSA-N	323.440	3.187	10	20	DGCD	
CC[C@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)OC	812368608	XRQQHXYODKGTSU-QGZVFWFLSA-N	300.402	3.249	10	20	DGCD	
Cc1[nH]ccc1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	820006413	XAEWLZVYMIHPMM-UHFFFAOYSA-N	317.352	3.285	10	20	DGCD	
COc1ccc(COCCNCc2c(O)cccc2Cl)cc1	824073511	KYHYEWYEAVCNAD-UHFFFAOYSA-N	321.804	3.361	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1Cl	824913669	WJNMTBBIVIGFEZ-ZDUSSCGKSA-N	319.836	3.152	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cscn2)cc1	728460456	JIUGPPONIWJAKA-UHFFFAOYSA-N	303.431	3.262	10	20	DGCD	
CC[C@H](COC)NC(=O)N(C)Cc1ccc(N(CC)CC)cc1	738502074	AKKGYOHAAJOPCM-MRXNPFEDSA-N	321.465	3.099	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(C(=O)O)cn2)cc1F	737847943	AGYMSYYTJJBWNI-UHFFFAOYSA-N	317.364	3.377	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(C(=O)O)cc2F)c1	833733892	UZBSATRXUVLHGJ-JTQLQIEISA-N	319.332	3.089	10	20	DGCD	
O=C(NCc1cccc(Br)c1)c1cc(O)cs1	732267155	CHMYSCFNESDARD-UHFFFAOYSA-N	312.188	3.146	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cc(C(C)C)nc2ncnn12	734484130	XXPYHNPBOAXXGI-UHFFFAOYSA-N	324.432	3.234	10	20	DGCD	
CC[C@@H]1C[C@H]1CNC(=O)N(CC)Cc1ccc(N(C)C)cc1	838665002	GRKBGJAAJJCKBR-CVEARBPZSA-N	303.450	3.330	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1F	734404514	IFJOOXYWMHPRJO-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
CO[C@H]1C[C@@H](NCc2ccc(Br)cc2O)C1(C)C	691476965	OYSOHHUTDYVLSX-OLZOCXBDSA-N	314.223	3.058	10	20	DGCD	
O=C(O)CCC1CCN(Cc2c(O)ccc3ccncc23)CC1	833225933	VMAJUGLTDXHTSI-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cncn2CC)cc1	841828898	MQCYGFXUBQQYFQ-UHFFFAOYSA-N	300.450	3.381	10	20	DGCD	
COCc1csc(/C=C2/SC(N3CCCCC3)=NC2=O)c1	849178516	ICNUUNVACXZMOT-MDWZMJQESA-N	322.455	3.351	10	20	DGCD	
CCc1cccc(CNc2ccc(NC(=O)C3CC3)nc2)c1O	848900643	IMIIPURUTOJKSV-UHFFFAOYSA-N	311.385	3.310	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1	841041712	ANLWMJNNMVJILX-ZBMCGTDOSA-N	313.489	3.167	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCN3CCC[C@H]3C2)cc1F	740003947	DTVWEKWOXPOSFW-SJORKVTESA-N	319.468	3.388	10	20	DGCD	
COCCOC[C@@H](C)NCc1cc(-c2ccccc2)ccc1O	742377934	ZSBGYGNMQAZGKD-OAHLLOKOSA-N	315.413	3.200	10	20	DGCD	
CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	840540682	WFUOMFFEKXQOMA-CJDRZLIDSA-N	303.402	3.442	10	20	DGCD	
CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1	841298324	ADTBJRFFWLMIBO-SWLSCSKDSA-N	316.405	3.113	10	20	DGCD	
Cc1nnsc1CN(Cc1ccc(N(C)C)cc1)C(C)C	844277415	CHZJKRHXPVKNIC-UHFFFAOYSA-N	304.463	3.323	10	20	DGCD	
CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841956395	ALVUXXCMVGNPJJ-PBHICJAKSA-N	303.450	3.422	10	20	DGCD	
CCN[C@H](C)CNCc1ccc(OCc2ccccc2)cc1O	841065000	FUAMKXCGTRBSNK-OAHLLOKOSA-N	314.429	3.059	10	20	DGCD	
CCN(CC(=O)N(C)Cc1ccccc1)c1ccc(OC)cc1	746108773	BMFNESGDXLYGPN-UHFFFAOYSA-N	312.413	3.180	10	20	DGCD	
C[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1O	841748028	GPLPMKLLCAMGGS-GXTWGEPZSA-N	317.820	3.370	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccnc(Cl)c3)ccc21	746811847	MLWPCFTYZHLAPT-UHFFFAOYSA-N	315.804	3.047	10	20	DGCD	
CC[C@](C)(O)CN[C@H](C)c1cc(Br)c(F)cc1O	756555078	RRFQNFOIGMUYPM-OQPBUACISA-N	320.202	3.105	10	20	DGCD	
CCC[C@H](C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856210832	SBGGPUFTLUFGGW-HNNXBMFYSA-N	318.461	3.090	10	20	DGCD	
Cc1ccc(SCCNC(=O)c2ccc(C)c(O)c2O)cc1	751532936	HNECJNRALJCFMN-UHFFFAOYSA-N	317.410	3.237	10	20	DGCD	
CC[C@H](CCO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	755989392	JDKNGVHJUZPBGQ-MRXNPFEDSA-N	314.429	3.293	10	20	DGCD	
CCCN(CCc1nc(C)c(C(C)=O)[nH]1)Cc1ccccc1O	851791919	IWBUHTXRNIDZKR-UHFFFAOYSA-N	315.417	3.081	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCC[C@H]2C[C@H](C)O[C@H](C)C2)c1	858432837	NAYWEBWSNOBOSW-QDMKHBRRSA-N	320.433	3.094	10	20	DGCD	
CNC(=O)CC1(CN[C@@H](C)c2ccc(C)cc2O)CCCCC1	850556636	RRRFNUGZUYUUBV-HNNXBMFYSA-N	318.461	3.438	10	20	DGCD	
CN(C)c1ccc(CN(CCO[C@H]2CCCCO2)C2CC2)cc1	769708140	KYONIWGXXSGWQI-IBGZPJMESA-N	318.461	3.260	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@@H](C)S[C@H](C)C2)c1O	761195878	QIKCJRNHEDFSJU-NXEZZACHSA-N	301.839	3.380	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](F)C2)c1	861862366	PDKUCQRMEKGASZ-MRXNPFEDSA-N	314.360	3.091	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCC[C@@H](C)C1)c1ccc(C)cc1O	1116889984	LUYGCSIBOAHMDP-WBVHZDCISA-N	318.461	3.390	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C2CC2)C1	764407637	OWNKLHDNTVPTSQ-INIZCTEOSA-N	301.434	3.003	10	20	DGCD	
C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(N2CCCC2)cc1	1116719509	HWYDGLSPXFCNAJ-JTDSTZFVSA-N	302.462	3.268	10	20	DGCD	
CCOc1ccc(CN2CC[C@H](CN3CCCCC3)C2)c(O)c1	769498107	GGQSIANSDCMKSL-MRXNPFEDSA-N	318.461	3.099	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1F	763217534	DSBRBHGYDFIVRQ-SOFGYWHQSA-N	302.301	3.036	10	20	DGCD	
CCOC(=O)C1CCC(NCc2ccc(N(C)C)c(F)c2)CC1	776113952	TYDKNFCCPLPGDD-UHFFFAOYSA-N	322.424	3.103	10	20	DGCD	
CCCOc1ccc(CNCC[S@@](=O)C(C)(C)C)cc1C	873053333	ISFBMWNBNRJRLD-OAQYLSRUSA-N	311.491	3.421	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCCSC1)c1ccc(N(C)C)cc1	773627571	OZPGDCYQLYBPJD-TZMCWYRMSA-N	307.463	3.008	10	20	DGCD	
CC[C@@H](CSC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773440872	GZXGVGKTNFNZGJ-JSGCOSHPSA-N	309.479	3.254	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc[nH]1)c1ccc(N2CCOCC2)c(F)c1	773115859	AITPMOKSFVZDHK-UONOGXRCSA-N	317.408	3.402	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN(CC(F)(F)F)C1)c1c(O)cccc1F	886506204	GWLWJIHJLSOFNY-MNOVXSKESA-N	320.330	3.066	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(F)cn2)cc1	783803530	AAXIMZFHOMRPPI-UHFFFAOYSA-N	315.392	3.339	10	20	DGCD	
CC[C@@H](C)n1ncc(NCc2cc([N+](=O)[O-])ccc2O)c1C	791005359	VCNXAFQZFDQQCQ-SNVBAGLBSA-N	304.350	3.388	10	20	DGCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCC(F)(F)C3)ccc21	795056549	QPNDAXJRKFFBAK-AWEZNQCLSA-N	308.372	3.121	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@@H](C)O1	245559172	LJWNGPQPPDATNA-ZWNOBZJWSA-N	314.223	3.154	10	20	DGCD	
CCN(Cc1ccccc1F)C(=O)/C=C\c1ccc(O)c(O)c1	1320754262	PRZBMJHHESWQFB-NTMALXAHSA-N	315.344	3.299	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C(C)(C)Oc2ccccc2)cc1	1322094055	XRQHTFMBVDHBLJ-UHFFFAOYSA-N	312.413	3.226	10	20	DGCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4ccc(N5CCCC5)cc4)[C@H]1[C@H]3C2	1343287881	YOYVLWFSEHPQOT-HHUCQEJWSA-N	312.457	3.142	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C(=O)O)c1ccsc1	1605320956	XDBBXFXQOMEZSX-OAHLLOKOSA-N	305.399	3.492	10	20	DGCD	
CC(C)OC1(CNC(=O)Cc2ccc(N)cc2)CCCCC1	1575740393	GZSKLRGFRINGMU-UHFFFAOYSA-N	304.434	3.055	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@@H]1CC[C@@H](CC(=O)O)[C@@H]1C	1595894626	NYOTYPULDRPMDH-JLJPHGGASA-N	304.434	3.251	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CC[C@@H]3C[C@H]32)cc1F	1776861120	AJAFLGYXVZYIHS-HBUWYVDXSA-N	320.408	3.015	10	20	DGCD	
COc1cccc(N2CCN(Cc3cc(C)ccc3O)CC2)c1	155979123	PNUQPBJGXCWHEO-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
CC[C@@H](C)NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	15571553	IAAUUUXFPMFCPE-MRXNPFEDSA-N	317.477	3.023	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cccnc2Cl)cc1F	58514983	SESPTLMZFHKPDM-UHFFFAOYSA-N	322.771	3.262	10	20	DGCD	
CCN(CC)[C@H](CNCc1ccc2c(c1)CCO2)c1ccco1	67506089	QICJEZOPWYBCOT-QGZVFWFLSA-N	314.429	3.387	10	20	DGCD	
CCCN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCNC1	71314543	JYQRUJJGERNLDS-LBPRGKRZSA-N	303.233	3.273	10	20	DGCD	
Nc1ccc(CC(=O)Nc2nnc(C3CCCCC3)s2)cc1	71700239	SHIFCZKQIPQPNT-UHFFFAOYSA-N	316.430	3.349	10	20	DGCD	
CCN(CC)c1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1	91856782	KLOPYCHTQYNVQC-ZWKOTPCHSA-N	320.502	3.239	10	20	DGCD	
COc1ccncc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	132859626	ZIXXFZFLRBIQPH-UHFFFAOYSA-N	322.368	3.145	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1	134239262	WTTSREGMOGXSGS-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
COC(=O)Cc1ccccc1CN(C)c1ccc(OC)c(F)c1	155510370	XAHIXBPWHJIIFH-UHFFFAOYSA-N	317.360	3.186	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(F)nc2)cc1F	172799607	UFVPPEFCPRYMJV-UHFFFAOYSA-N	319.355	3.136	10	20	DGCD	
CCc1ncc(C(=O)NCc2c(O)ccc3c2CCCC3)s1	174523045	MGVVPUPADUWVPM-UHFFFAOYSA-N	316.426	3.220	10	20	DGCD	
CC(Cl)(Cl)C(=O)NCc1ccc(N2CCCC2)cc1	179883775	ALFVMSDVDOFLHX-UHFFFAOYSA-N	301.217	3.097	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(O)cc1	183537077	OJDYRGPJZYIEEG-UHFFFAOYSA-N	312.413	3.049	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC(NC(C)C)CC2)c1O	184686494	MQQCMJMMPGQBGL-UHFFFAOYSA-N	312.841	3.017	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@](C)(O)c2cccs2)c1	185518759	TXMHIYXEHQYBGQ-BDJLRTHQSA-N	307.415	3.021	10	20	DGCD	
C[C@H](O)C[C@@H](C)CN[C@@H](C)c1cc(Br)ccc1O	185520743	CEUCTEXSVRSCHD-VWYCJHECSA-N	316.239	3.212	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@@H](C)c2cc(C)ccc2O)cc1	185825876	VDUHAFWMOPUZTL-KSSFIOAISA-N	315.413	3.484	10	20	DGCD	
COCCO[C@@H]1CCCN(Cc2cc(C(C)C)c(C)cc2O)C1	193415465	GEYGUCONURCPMN-QGZVFWFLSA-N	321.461	3.451	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1	246794300	RVSRLBJDMCPUOF-LMOYCYGVSA-N	318.417	3.025	10	20	DGCD	
CN(CC(C)(C)C)C(=O)NCc1ccc(N2CCCC2)cc1	263793113	RHJQHXYCFGHNHP-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
Cc1noc([C@H]2CCCN(Cc3c(O)cccc3Cl)C2)n1	271105414	VLWOKDVKRYPVFR-NSHDSACASA-N	307.781	3.117	10	20	DGCD	
COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c(C)c1	278629581	GSTYSFDGKHNWBH-UHFFFAOYSA-N	318.329	3.238	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1O	280075811	LKXARXHEJIOJJL-NVXWUHKLSA-N	311.429	3.415	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@@H]2CCCc3nn(C)cc32)c1O	282827853	BLSNGBYBJQDMJF-CQSZACIVSA-N	305.809	3.255	10	20	DGCD	
COc1cc(Cl)cc(CNCc2noc3c2CCCC3)c1O	290124102	JCBUDTVWVMFIRG-UHFFFAOYSA-N	322.792	3.211	10	20	DGCD	
CN(C)c1ccc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1F	290127638	JKAUGNDFNJDOCH-QAQJPARQSA-N	318.436	3.065	10	20	DGCD	
Cc1ccc2c(c1)/C(=C\c1cn(C)nc1C(F)F)C(=O)N2C	291591931	PYSZXLWQMBZQDC-KPKJPENVSA-N	303.312	3.183	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1ccccc1Cn1cccn1)CC2	296001729	OJPRXVDMDHFNQU-GOSISDBHSA-N	319.408	3.414	10	20	DGCD	
Cc1ccc(F)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	385833261	XNYMVMHDXYSFKA-UHFFFAOYSA-N	300.377	3.472	10	20	DGCD	
CC[C@@H]1CN(Cc2cccc(Br)c2O)[C@@H](C)CO1	403745180	AETAPEVMLNNXNQ-CMPLNLGQSA-N	314.223	3.154	10	20	DGCD	
COC[C@H]1CCCN(Cc2ccc(Br)cc2O)C1	691681977	ZVDYURLQWSLYEZ-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2cc(C)ccc2C)c1	728978207	BTHUMKKUVMVYTF-CQSZACIVSA-N	313.397	3.438	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cc(C(=O)O)co2)cc1	737087795	CHHCEEWBRRMFBO-UHFFFAOYSA-N	316.401	3.456	10	20	DGCD	
CC(C)[C@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C	746983156	UEXJBFLOQFYWJS-QGZVFWFLSA-N	315.461	3.399	10	20	DGCD	
COc1ccc2cc(C(=O)NCc3ccccc3O)c(C)nc2c1	748349950	NBKXRIVPPXLSGJ-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H](c1ccccc1)C(F)(F)F	748458665	AHZXKRQQUBSJJD-AWEZNQCLSA-N	324.302	3.495	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ncc(C)s1	765483273	NFMVSSLCIZOJPT-UHFFFAOYSA-N	317.458	3.109	10	20	DGCD	
CCc1ccc(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)cc1	768437965	LOHDTICFSOIXGA-GOSISDBHSA-N	313.397	3.012	10	20	DGCD	
Oc1cc2c(cc1CN(CC1CC1)C1CCCCC1)[C@H](O)CO2	768448557	CVNSNVUDMHBIJF-GOSISDBHSA-N	317.429	3.363	10	20	DGCD	
CC(C)Cn1ncnc1COc1ccc(N2CCCC2)cc1	778598177	RDDCYNQPOBHLQT-UHFFFAOYSA-N	300.406	3.113	10	20	DGCD	
CCC(CC)[C@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)OC	779535974	GHGOJVLBGUQDIK-LKUPDRCFSA-N	321.417	3.069	10	20	DGCD	
Cc1ccc(NC(=S)NNc2ccc3c(=O)[nH]ccc3c2)cc1	789320407	SWPITRQUMSFNFT-UHFFFAOYSA-N	324.409	3.150	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCn1cnc2ccccc21	790958951	UYAATSZJFLRPHZ-UHFFFAOYSA-N	319.767	3.324	10	20	DGCD	
CSCCONC(=O)c1ccc(-n2c(C)ccc2C)cc1	794187689	HGEYURPQQLDYRG-UHFFFAOYSA-N	304.415	3.119	10	20	DGCD	
COc1ccc(CNC(=O)c2ccccc2SC)c(O)c1	794388946	CMRAESGBSFCMMS-UHFFFAOYSA-N	303.383	3.053	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CN1[C@@H](C)CC[C@H]1C	801546206	JPNLMGFHLYBHII-IYBDPMFKSA-N	318.461	3.394	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(F)c[nH]2)cc1F	815539299	GPHOVOFAANTOHP-UHFFFAOYSA-N	307.344	3.069	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)nc1	817944299	ZASUBBGCJZSUED-BLLLJJGKSA-N	318.852	3.152	10	20	DGCD	
C[C@@H](NC[C@H]1CCCNC1)c1ccc(Cl)c(Cl)c1O	817945655	IVJZLNXFFCYUBO-ZJUUUORDSA-N	303.233	3.349	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3CCC[C@@H](OC)C3)C2)cc1	818222431	SQAJBBSEQZVDHL-GPMSIDNRSA-N	318.461	3.069	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)c3ccoc3)C2)cc1	818345789	YCSINUYHZWLZCK-CABCVRRESA-N	300.402	3.465	10	20	DGCD	
CC(C)(CN1CCCC1)NCc1c(O)ccc(Cl)c1F	825326298	MGAFZARMCGZWEG-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H](C)c1ccccc1O	827940855	JKYWWTYSLBYYRR-WDEREUQCSA-N	301.390	3.103	10	20	DGCD	
CCC[C@H](O)CN(CC)Cc1cc(Br)ccc1O	827945191	RCUFKWJMOMLJGA-ZDUSSCGKSA-N	316.239	3.138	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@H](C)c2ccc(F)cc2O)cc1C	834916443	YUAZMYYJKJOXHB-PBHICJAKSA-N	317.404	3.402	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC(C3CCCCC3)C2)c1O	839137020	WVFLVFVFBHBCEP-UHFFFAOYSA-N	320.389	3.321	10	20	DGCD	
CC(C)(CNC(=O)NCCc1ccc(N)cc1)c1ccccc1	841701525	ZOMJUHRSWNFFRA-UHFFFAOYSA-N	311.429	3.088	10	20	DGCD	
CCNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C	843750371	RTINXGYUFDCBNG-UHFFFAOYSA-N	322.206	3.001	10	20	DGCD	
COc1ccc(N(C)C[C@@H]2CCN(C(=O)c3ccccc3)C2)cc1	844355742	SBYGWMPOQZRVGU-INIZCTEOSA-N	324.424	3.294	10	20	DGCD	
CN(C[C@@H]1CC1(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1	852138667	QTYUVXAFBGWJNO-INIZCTEOSA-N	313.445	3.250	10	20	DGCD	
CC[C@@H](NC[C@H]1CCCN1CC(F)F)c1ccc(F)cc1O	858478974	FYMSDDQVLFTDOQ-TZMCWYRMSA-N	316.367	3.302	10	20	DGCD	
CCN(C)[C@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1	862759088	VGJLPWHIWOAKOV-SFHVURJKSA-N	312.413	3.010	10	20	DGCD	
CC(C)Nc1ccccc1NCCN1C(=O)c2ccccc2C1=O	871846793	APAIVRMLSJSXJL-UHFFFAOYSA-N	323.396	3.215	10	20	DGCD	
Cc1ccc(CN2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1	876591317	GLCDBQWPCFGVOU-SFHVURJKSA-N	301.361	3.413	10	20	DGCD	
CC[C@H](Nc1cccnc1Cl)C(=O)N(C)c1ccc(N)cc1	877076737	QGXKHURCDMUXSH-ZDUSSCGKSA-N	318.808	3.171	10	20	DGCD	
COc1cccc2c1O[C@@H](c1cc(Cl)c(C)cc1O)NC2=O	877841890	BLRCPQSUFSRCSB-INIZCTEOSA-N	319.744	3.184	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2c(O)cccc2F)C1	886536705	NNEQOQHOPMIXCE-KDRJOKAESA-N	313.438	3.262	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](C)c2ncc(C)s2)c1O	894460428	OSEBEONHNHREGK-NSHDSACASA-N	306.431	3.367	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(C)c(C(=O)O)o2)cc1	901942892	NDXIHHXBIUJOOJ-UHFFFAOYSA-N	316.401	3.422	10	20	DGCD	
Cc1nc(C2(NCc3ccc4c(c3)CCCO4)CCCC2)no1	921644589	WFVFLTUHZQIZTJ-UHFFFAOYSA-N	313.401	3.262	10	20	DGCD	
Cc1csc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1	1327374391	DMKNHCHGPBUTGJ-GFCCVEGCSA-N	317.458	3.187	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)cc1F	1328739795	DEQNFNLLEQXWLO-ATZDWAIDSA-N	324.399	3.094	10	20	DGCD	
CC(C)(C)CN(CC(=O)O)Cc1ccc(N2CCCC2)cc1	1333779369	PXCRZDYUPZXLMM-UHFFFAOYSA-N	304.434	3.220	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCCNC1	1577457810	GHVYAGPSJUSRMX-MRXNPFEDSA-N	318.461	3.301	10	20	DGCD	
C[C@@H](NCc1ccc(C(=O)O)cc1)c1cc(F)cc(F)c1O	1589128175	AYIOKWZAGQCFLS-SECBINFHSA-N	307.296	3.219	10	20	DGCD	
CN(Cc1cccc2[nH]ccc12)c1ccc(OCC(=O)O)cc1	1598526607	KXXMZSBELUSZDO-UHFFFAOYSA-N	310.353	3.268	10	20	DGCD	
C[C@@H](C(=O)O)c1cccc(NCc2ccc(F)c(F)c2O)c1	1603222130	XVQINTSGZBMHER-SECBINFHSA-N	307.296	3.471	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H]3CCC[C@H](C(=O)O)C3)ccc21	1776876070	QQBZLLBBLXAPKS-DLBZAZTESA-N	316.445	3.192	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](C)CCC[C@H](C)C(=O)O)ccc21	1776884676	HYNWAUSOMIPISV-GJZGRUSLSA-N	318.461	3.438	10	20	DGCD	
CCNCC1CCN(Cc2ccc(N(CC)CC)cc2)CC1	66057128	PHKFAZPBYOBKNM-UHFFFAOYSA-N	303.494	3.354	10	20	DGCD	
COc1cccc(CNC(=O)Cc2ccc3ccccc3c2)c1O	68488743	VOAGDNBLPJLGBE-UHFFFAOYSA-N	321.376	3.413	10	20	DGCD	
CC[C@@H]1CN(Cc2cccc(Br)c2O)C[C@H](C)O1	92487297	MLRFBAJCIZFPNH-CMPLNLGQSA-N	314.223	3.154	10	20	DGCD	
CCCCN(CCOC)Cc1cccc(Br)c1O	93323046	DVSAQUQAJKTLAB-UHFFFAOYSA-N	316.239	3.403	10	20	DGCD	
CN(C)CC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	132791247	PNCGZWSEGZQMNL-UHFFFAOYSA-N	317.260	3.473	10	20	DGCD	
Cc1ccc(CN2CCOCC2)cc1NCc1ccccc1O	151150877	XSJCSXSJEVTYEN-UHFFFAOYSA-N	312.413	3.145	10	20	DGCD	
CCO[C@H]1C[C@H](NCCCSc2nccs2)C1(C)C	181773834	DVLHPUWNNIACEI-RYUDHWBXSA-N	300.493	3.419	10	20	DGCD	
Cc1cccc(CN2CC[C@H](Oc3cccc(F)c3)C2)c1O	183209575	DYOMLPRECVZRFY-KRWDZBQOSA-N	301.361	3.493	10	20	DGCD	
C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1O	185674285	VDCSXADDZVQGKQ-POJUEXTFSA-N	303.789	3.355	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccccc2O)CCN1C(=O)OC(C)(C)C	219453269	VGUDSNVLLNDVRW-DZGCQCFKSA-N	320.433	3.270	10	20	DGCD	
O=C(c1ccsc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	264646951	GBPPYDCJFFRKJQ-HNNXBMFYSA-N	317.410	3.275	10	20	DGCD	
CN(C)c1ccc(CNCc2cccnc2)c(C(F)(F)F)c1	279909666	LUBAGCCFSYWZFD-UHFFFAOYSA-N	309.335	3.456	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@H](CC)c1ccc(C)cc1O	279994436	FOVVDYARUMIVCV-OAHLLOKOSA-N	317.433	3.246	10	20	DGCD	
CCC(CC)(CCO)NCc1cc(Br)ccc1O	283047753	RWUNBZKMZVTNPN-UHFFFAOYSA-N	316.239	3.186	10	20	DGCD	
C[C@@H](O)C[C@H]1CCCN1Cc1cc(C(C)(C)C)cc(O)c1O	305251152	KEMMOOLRUYONFP-IUODEOHRSA-N	307.434	3.131	10	20	DGCD	
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2F)s1	312100313	UFIGNZSXMMAGDV-UHFFFAOYSA-N	301.364	3.010	10	20	DGCD	
CCOC[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1O	313451554	RXNLHDUUQLXBLM-OAHLLOKOSA-N	309.381	3.125	10	20	DGCD	
Cc1c(CNC(=O)c2ccc3c(c2)COC3)n(C)c2ccccc12	348698121	KCYLDRWWNZCJLL-UHFFFAOYSA-N	320.392	3.447	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc(C2CC2)cs1	588405772	USKYFFKSSFKAQJ-KXFIGUGUSA-N	302.355	3.084	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@H](SC)C2)c1	743680301	CHDUJBCNSBSAHM-GVXVVHGQSA-N	324.446	3.045	10	20	DGCD	
CN(C)c1ccc(CN(C)c2c(F)c(F)nc(F)c2F)cc1	756955799	DDIMFPKGDLQACC-UHFFFAOYSA-N	313.298	3.340	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CCO)C1CC1	757085600	BOAYOBNGSGPIFY-CQSZACIVSA-N	318.442	3.046	10	20	DGCD	
CCN(CC)CCOCCN[C@H](C)c1ccc(C)c(C)c1O	757674780	WDXVBQZGLWBUSY-MRXNPFEDSA-N	308.466	3.018	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1(C)C	759209643	OYHHNDJEZMFDTC-AWEZNQCLSA-N	303.450	3.330	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCC[C@H](C)CO)cc1	759888281	BGSSMCKCQAEQAZ-AWEZNQCLSA-N	314.429	3.233	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cc(C(F)(F)F)ccn1	765343531	WSIRPLBLIWIPFO-UHFFFAOYSA-N	311.263	3.128	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C	769452473	SMPJEMMACPHEDV-LSDHHAIUSA-N	306.425	3.140	10	20	DGCD	
CCc1ccc(CN2CCN(c3ccc(OC)c(F)c3)CC2)o1	770301964	OLSXJRRBSKTLKW-UHFFFAOYSA-N	318.392	3.312	10	20	DGCD	
Cc1cccc(CN[C@H](CC(=O)N(C)C)c2ccccc2)c1O	776094609	RAPMXRFZYLHMET-QGZVFWFLSA-N	312.413	3.010	10	20	DGCD	
C[C@H](N[C@@H]1CCn2ccnc2C1)c1ccc2ccccc2c1O	779061701	MKQKFBRFEWURGK-DZGCQCFKSA-N	307.397	3.408	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1c(F)cccc1Cl	779500067	PGVSNRZRUGHFKD-FNORWQNLSA-N	321.735	3.220	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1CCOc2ccc(Cl)cc21	784048934	HLYQVSXUMQVMJH-GORDUTHDSA-N	314.772	3.482	10	20	DGCD	
CCc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c(O)c1	787130931	CSLVMMFQSZHRSE-LLVKDONJSA-N	315.369	3.160	10	20	DGCD	
CC[C@H](NCCCNc1ccccn1)c1ccc(F)cc1O	796794954	ZJIKKHVIKKRHEU-HNNXBMFYSA-N	303.381	3.469	10	20	DGCD	
CCc1ccc2occ(C(=O)NCc3ccc(O)c(O)c3)c2c1	802783631	AEYXUHSPOMFVRM-UHFFFAOYSA-N	311.337	3.336	10	20	DGCD	
COc1cnc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1	806513695	ITKJRBPINYFGHG-SNVBAGLBSA-N	320.418	3.100	10	20	DGCD	
CC(C)Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O	812248217	GYICVXAPHXOOGS-UHFFFAOYSA-N	302.422	3.400	10	20	DGCD	
CCN(CC)C[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1	815054716	KXBDHFSLDUXVSK-SFHVURJKSA-N	303.494	3.225	10	20	DGCD	
Cc1ccc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)c(O)c1O	816789536	QSLOLVGXYYMKEN-LLVKDONJSA-N	313.344	3.352	10	20	DGCD	
CC[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cn1	817942773	QVVXXSMQQGPEQI-IRXDYDNUSA-N	316.424	3.027	10	20	DGCD	
CCN(CC(C)=O)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	820443009	HHLCEMYKANIVJC-UHFFFAOYSA-N	312.413	3.454	10	20	DGCD	
CCn1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	822899190	ZGPBLLCRFVAJMA-UHFFFAOYSA-N	314.433	3.020	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1	823702676	QRJDZAWBOGHXDC-GOSISDBHSA-N	320.452	3.455	10	20	DGCD	
CC[C@@H](NCc1cc(Br)cc(OC)c1O)C(F)F	824510634	YNQKMBIFSJEPDH-SECBINFHSA-N	324.165	3.297	10	20	DGCD	
CN(CCc1ccccc1)[C@@H]1CCN(Cc2ccccc2O)C1	827179045	OZWIRGDGKGPIMI-LJQANCHMSA-N	310.441	3.141	10	20	DGCD	
Cc1cc(CN2CCC[C@H]2[C@H]2CCCOC2)ccc1N(C)C	828910095	CNIIEXLQEQSRCI-HKUYNNGSSA-N	302.462	3.452	10	20	DGCD	
CC[C@H](NC[C@@H]1CCOC[C@H]1OC)c1cc(Cl)ccc1O	834880522	IZQFNRMSBGQLOM-HZUKXOBISA-N	313.825	3.138	10	20	DGCD	
CCn1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)n1	840840680	NMSMBGWRNUBVKW-JTQLQIEISA-N	313.323	3.478	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H](CC(C)C)OC)CC2)cc1	841756262	SFCTWEBJNZUCIK-IBGZPJMESA-N	320.477	3.315	10	20	DGCD	
CC(C)CSCCNC(=O)NCc1cc(Cl)ccc1O	845077404	KJQWVIKHTFKDEJ-UHFFFAOYSA-N	316.854	3.234	10	20	DGCD	
O=C(CSc1ncc(Cl)s1)N1CCc2ccccc2C1	849998048	JLJLZYULIIUJLX-UHFFFAOYSA-N	324.858	3.474	10	20	DGCD	
CN(C)c1ccc(CNCc2cnccc2C(F)(F)F)cc1	853094330	BEXAJJOVUOCDOM-UHFFFAOYSA-N	309.335	3.456	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC2CC(c3ccccc3)C2)c1	858188075	RDPSPAJQWSMQSL-UHFFFAOYSA-N	310.397	3.446	10	20	DGCD	
Cc1cc(CNC(=O)C[C@@H]2CCCO2)c(C)n1-c1ccccc1	863166017	IVWPCCCFPKCHOG-SFHVURJKSA-N	312.413	3.279	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@]1(C)OCCc2sccc21	877538758	DFFCNUZKPWLVOR-QGZVFWFLSA-N	303.427	3.340	10	20	DGCD	
CNC(=O)N(C)c1ccc(NCc2cc(C)c(C)cc2O)cc1	883311482	BDYMDQMEZMRGIR-UHFFFAOYSA-N	313.401	3.397	10	20	DGCD	
COc1cccc(NCc2ccc(OC)c(OC)c2O)c1F	893653716	FTXCJYNXBNDNEE-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1	894793795	IWQQSMGBEFODSE-GDBMZVCRSA-N	309.356	3.204	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1Cc2ccccc2[C@@H]1O	898392753	JGNOHEMPQLIWOX-HOCLYGCPSA-N	324.207	3.447	10	20	DGCD	
C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cccnc1	901707346	UXVHXHSYHNDSGZ-DNVCBOLYSA-N	312.461	3.101	10	20	DGCD	
CCn1nc(C2CC2)cc1-c1nc(Cc2ccc(N)cc2)no1	904077520	CFPBCHYGVDLDKO-UHFFFAOYSA-N	309.373	3.003	10	20	DGCD	
O=C(C=C1CCCC1)NCc1ccc(N2CCSCC2)cc1	918617007	CQCYUZYOVFBISP-UHFFFAOYSA-N	316.470	3.356	10	20	DGCD	
CN(CC1CCC1)C(=O)c1csc(Cc2ccc(N)cc2)n1	1122015344	UKEYISCGNMPQOO-UHFFFAOYSA-N	315.442	3.188	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1	1327999729	HNDROYLGIVZYSM-KURKYZTESA-N	302.462	3.436	10	20	DGCD	
CCC1(CC)CN(C(=O)NCc2ccc(N)cc2)CCS1	1335738111	WGEZBMXNYCZYOF-UHFFFAOYSA-N	307.463	3.086	10	20	DGCD	
COC(=O)c1cnc2nc(-c3ccc(N4CCCC4)cc3)[nH]c2c1	1345247614	SZZAGJOJEPEJHK-UHFFFAOYSA-N	322.368	3.012	10	20	DGCD	
CC(C)(CNC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1	1353492037	FJVYWOUMIXEVDQ-UHFFFAOYSA-N	315.392	3.185	10	20	DGCD	
CC(=O)c1ccc(COc2ccc(N(C)C)c(C(=O)O)c2)cc1	1589284039	XKHOMEYEXUCWOO-UHFFFAOYSA-N	313.353	3.232	10	20	DGCD	
CC[C@@](C)(C(=O)O)N(Cc1ccc(N(C)C)cc1)CC1CC1	1594787424	DFZJOMHKZPYYFO-SFHVURJKSA-N	304.434	3.218	10	20	DGCD	
Cc1ccccc1OCCOc1ccc(N(C)C)c(C(=O)O)c1	1607886171	FXBSLTXMISMNIT-UHFFFAOYSA-N	315.369	3.217	10	20	DGCD	
O=C(O)CN(CC=C(Cl)Cl)Cc1cc(Cl)ccc1O	1608744329	ANHDCJTWTBGOPV-UHFFFAOYSA-N	324.591	3.251	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)cc1F	60678558	OHKSMXRFMFDJHV-UHFFFAOYSA-N	304.340	3.303	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccc4c(c3)COC4)ccc21	64396708	KATFGQKSFLKYDK-UHFFFAOYSA-N	322.408	3.029	10	20	DGCD	
CCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1	70333344	HYDXSNPUADIFRX-UHFFFAOYSA-N	309.362	3.285	10	20	DGCD	
CC1(C(=O)O)CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	86777026	HQRUYBHVASRSNV-UHFFFAOYSA-N	318.200	3.386	10	20	DGCD	
CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(C)ccc2O)C1	92400966	POQYSDVGYWMLRT-CVEARBPZSA-N	318.461	3.217	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc(Cl)c2)c1	103528473	DWIYMRRHKVACNW-NSHDSACASA-N	319.788	3.474	10	20	DGCD	
CC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)O1	111168337	PXPXULYQJGJVKB-WFASDCNBSA-N	307.434	3.395	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(Cl)ccc1O	111493932	BMJMDUJTMNZSSA-KXFIGUGUSA-N	305.717	3.109	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCc3c(O)cccc32)cc1F	113337304	SRNNSKIQTJTFDT-INIZCTEOSA-N	300.377	3.374	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCC(F)(F)F	115854235	RBAANSXTCMYFGQ-UHFFFAOYSA-N	317.355	3.155	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccccc2O)c(OC)c1OC	154069930	IRDKVSOXBKPGQY-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCOc2ccccc2)c1	157885662	AZJOQDMCQSWEET-CYBMUJFWSA-N	315.369	3.047	10	20	DGCD	
COc1cc(CN2CCO[C@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1	164515713	GJXFCEFTUKWARW-CHWSQXEVSA-N	307.434	3.308	10	20	DGCD	
Cc1c(C(=O)N(C)Cc2ccccc2O)c(O)nc2ccccc12	175239398	HIMWDHCWJFEURD-UHFFFAOYSA-N	322.364	3.227	10	20	DGCD	
CC[C@@H](C)[C@@H](O)CN[C@@H](C)c1ccc(Br)cc1O	185439353	DCDALLMHCFBNSC-BFVZDQMLSA-N	316.239	3.212	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@H](C)c1cc(Cl)ccc1O	185670744	ICXQCLCCOJIFPD-TZMCWYRMSA-N	314.857	3.053	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1cc(F)ccc1O	186190291	WNSXCOUTFNGOIM-GTNSWQLSSA-N	307.340	3.229	10	20	DGCD	
Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C)on1	186235882	NIXVCSPLNXUWJX-UHFFFAOYSA-N	313.382	3.359	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@H](c2ccc(F)cc2F)C1	190138288	JJSQGHNVNFJRPL-KRWDZBQOSA-N	323.314	3.383	10	20	DGCD	
CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1ccccc1O	227440927	QRZMUUVFQMFKII-HNNXBMFYSA-N	320.433	3.271	10	20	DGCD	
COc1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)cc1C	274326427	YHUKVOZPQMKJGW-VGSWGCGISA-N	317.454	3.213	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)CCCC(=O)O)cc1F	277177971	FBNAQLQRQRQPLI-ZDUSSCGKSA-N	310.413	3.405	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCC(=O)NC2CCCCC2)c(O)c1	293232581	AXMHRFFDTRRIFL-HNNXBMFYSA-N	318.461	3.499	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@@H](C)c1c(C)cc(C)cc1O	294559019	BIDAOZOMTVRZDZ-ZDUSSCGKSA-N	317.433	3.164	10	20	DGCD	
CN(C)[C@H](CN[C@H]1CCc2cccc(O)c21)c1ccc(F)cc1	296161084	XEQDPWJKYRYJGP-DLBZAZTESA-N	314.404	3.411	10	20	DGCD	
CC(C)[C@H](C)N(C)C(=O)NCc1ccc(N2CCCC2)cc1	298679862	KNSXZLMOQZSQJC-HNNXBMFYSA-N	303.450	3.473	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)c2ccc(F)c(F)c2)c1	305775245	NHEWZKNAFXFIJT-DYZYQPBXSA-N	323.339	3.063	10	20	DGCD	
CC(C)OCC(C)(C)NCc1cc(Br)ccc1O	396389637	RXZFXGMBHOYGMD-UHFFFAOYSA-N	316.239	3.448	10	20	DGCD	
C[C@H]1CSC[C@@H]1NCc1cc(Br)cc(F)c1O	715768157	BWRKFSWABCGALW-CPCISQLKSA-N	320.227	3.135	10	20	DGCD	
CCCCOCCOC(=O)c1cc(C)n(-c2ccccn2)c1C	728763063	NAZWIACEBIXWMS-UHFFFAOYSA-N	316.401	3.463	10	20	DGCD	
COc1ccc([C@H](C)NC(=O)N(C)Cc2ccccc2O)cc1	746963845	WOKNIQJQACXTJO-ZDUSSCGKSA-N	314.385	3.303	10	20	DGCD	
C[C@H](NC[C@@H](Cc1ccccc1)N(C)C)c1cc(F)ccc1O	756342778	LDMAQFXVIHADTD-WMLDXEAASA-N	316.420	3.355	10	20	DGCD	
CC1CCN(CCN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1	756412948	WMNGUPHMIWKGCM-HIFRSBDPSA-N	306.425	3.401	10	20	DGCD	
C[C@@H](NCc1nn(C)c2ccccc12)c1ccc(N(C)C)cc1	760898985	WFAWCDAZTXQCDO-CQSZACIVSA-N	308.429	3.490	10	20	DGCD	
CSc1ccc(N(C)Cc2cc3c(cc2O)OCO3)cc1	761222150	IKDPJGIQSOFJRB-UHFFFAOYSA-N	303.383	3.479	10	20	DGCD	
CC(C)c1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1	762166655	AGIRSZIUNBYOOR-UHFFFAOYSA-N	315.392	3.340	10	20	DGCD	
C[C@H](CCC1CC1)NC(=O)NCc1ccc(N2CC=CC2)cc1	768940558	KLWXGZJEMTWWBS-OAHLLOKOSA-N	313.445	3.441	10	20	DGCD	
COc1cccc(O)c1CN1CCCO[C@@H](c2ccccc2)C1	769316372	OETGOCNKTVTGHP-LJQANCHMSA-N	313.397	3.364	10	20	DGCD	
CCN1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C	769382052	SYTSMGVDMHBYTM-KRWDZBQOSA-N	301.478	3.203	10	20	DGCD	
CCN(C)c1ccc(CN(C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1	773757072	YIFRJURBCFGZNN-QFBILLFUSA-N	303.494	3.447	10	20	DGCD	
CCOC1CC(O)(CN[C@H](CC)c2cc(Cl)ccc2O)C1	774486947	JYYYEJHADINZPE-CXOJTPOUSA-N	313.825	3.016	10	20	DGCD	
CC[C@@H](NCCCN(C)CCOC)c1cc(Cl)ccc1O	775491624	GFWBLTQLPXPSFH-OAHLLOKOSA-N	314.857	3.055	10	20	DGCD	
Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)cc1C=O	793512852	HCRCZIXRLGTAPC-UHFFFAOYSA-N	324.424	3.420	10	20	DGCD	
C[C@H](CCO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796311210	VIKSWCHUANCCSH-MRXNPFEDSA-N	310.441	3.110	10	20	DGCD	
CC[C@H](NCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O	796680469	SPLLMPZQGQFJHB-CPUCHLNUSA-N	324.440	3.071	10	20	DGCD	
Cc1ccc(C)c(NC(=S)NCc2ncccc2N(C)C)c1	811709646	FDDKFRGQOQDWEB-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
CCOC1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCCC1	815644823	MYVGPACDOHOEFS-GFCCVEGCSA-N	308.378	3.300	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1	817938167	GABVGLMDLRQUFL-KPZWWZAWSA-N	319.399	3.381	10	20	DGCD	
COC(C)(C)C[C@H](C)NCc1ccc(Br)cc1O	825316365	RXPATSWIKVLBKA-JTQLQIEISA-N	316.239	3.448	10	20	DGCD	
OCCC[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	825338869	WKMUTYZXXSBYRM-KRWDZBQOSA-N	302.462	3.271	10	20	DGCD	
CC(C)n1ccnc1CNCc1cccc(Br)c1O	825710326	MATYHNPZEPEFLQ-UHFFFAOYSA-N	324.222	3.222	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCC[C@@H]1c1ccccc1	827720951	XOQCWTJYFRHRCI-SJORKVTESA-N	311.381	3.298	10	20	DGCD	
C[C@@H]1CCc2c(C(=O)NCc3ccc(N)cc3)csc2C1	837303479	RRPCANVLWVPJMS-LLVKDONJSA-N	300.427	3.385	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1ccco1	839916286	RECLMCZHVOKZMY-HNNXBMFYSA-N	314.429	3.334	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c(C)ccn1C	839920804	FBOZLWSDTXEEAQ-HNNXBMFYSA-N	313.445	3.069	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3nnn(C)c3C)c2C)c1	839941873	BLWJDWIHCMAVDY-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@H]2CCC[C@H]2C2CC2)c(O)c1	840392911	QQMOMQGBCGOCQQ-CJNGLKHVSA-N	318.417	3.026	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@](CO)(c2ccccc2)C1	840947816	MQEISMXRMCGGPH-OAQYLSRUSA-N	324.468	3.197	10	20	DGCD	
Nc1ccc(CCNCc2c(C3CC3)nc3sccn23)cc1	841035814	ORRVUMUBCBXTQS-UHFFFAOYSA-N	312.442	3.188	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2cc(C)cs2)cc1	844857299	SLYNRXWPLDTTLD-UHFFFAOYSA-N	318.442	3.274	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](C)N2CCCC[C@@H]2C)c1O	846139870	VYEYPRYOEJJXGZ-ZNMIVQPWSA-N	306.450	3.314	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H]2OCCc3ccccc32)c1O	846150982	QYFQLMOCMZLUCR-UGSOOPFHSA-N	313.397	3.365	10	20	DGCD	
CC(C)(C)C(=O)CCCC(=O)NCc1cc(Cl)ccc1O	846475392	DDLIFSRGFIZZGN-UHFFFAOYSA-N	311.809	3.447	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2ccccc2F)c1	858157226	WBTIUHHPCZEQCF-ZDUSSCGKSA-N	316.376	3.270	10	20	DGCD	
CCOC1CC2(CCN(Cc3cc(F)c(N(C)C)cc3F)C2)C1	862364564	DCAJOXJWODDAPU-UHFFFAOYSA-N	324.415	3.422	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCCc2cnn(C)c2)cc1	919769958	AIHYLOIREPQELA-UHFFFAOYSA-N	314.477	3.331	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H]2CCCN2CC(F)(F)F)c(O)c1	926922915	SFDWUDLWGSODCC-STQMWFEESA-N	316.367	3.378	10	20	DGCD	
CC[C@H](C)[C@H](C)C(=O)NCCCNCc1ccc(OC)c(C)c1	1169401279	RSSQEIZTZRSMJJ-HOCLYGCPSA-N	320.477	3.282	10	20	DGCD	
c1cc([C@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)n[nH]1	1253989330	HSKHNYVIIJUJMP-KRWDZBQOSA-N	310.445	3.390	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ncnn1C(C)(C)C	1321374419	ZWUINKOVNVTKRH-QWHCGFSZSA-N	314.433	3.385	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[C@H](F)C2)c1	1328144027	YOWXWVHFWQWICV-SRVKXCTJSA-N	310.369	3.042	10	20	DGCD	
CN(CC[C@@H]1CCCC1(F)F)c1ccc(OCC(=O)O)cc1	1606111404	XRPNPUMQQMXSAH-LBPRGKRZSA-N	313.344	3.412	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCN(c2ccncc2)CC1	23847484	UVZUOTKWUDHEHM-UHFFFAOYSA-N	319.408	3.263	10	20	DGCD	
COc1c(F)cc(NC(=O)N(C)Cc2ccccc2O)cc1F	56715843	BEBHZPPUFIBJCP-UHFFFAOYSA-N	322.311	3.343	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2sc(C)cc2OC)c1	73110665	HZZADRYRGNWSTQ-SNVBAGLBSA-N	321.398	3.270	10	20	DGCD	
CCN(Cc1cccc(Br)c1O)C[C@@H]1CCCO1	132661543	VYCUGBRSUHZQKM-LBPRGKRZSA-N	314.223	3.156	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccc(F)cc1O	170789141	NIGUAWNZCTWVJJ-VHSXEESVSA-N	316.332	3.424	10	20	DGCD	
COc1ccc(N2CCN(C(=O)CC3=CCCCC3)CC2)cc1	171754995	QJEZORLMJFYMAK-UHFFFAOYSA-N	314.429	3.234	10	20	DGCD	
COCc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1	174057492	WAQFOCDXEPVALB-PTNGSMBKSA-N	316.426	3.289	10	20	DGCD	
OCCN(Cc1cc(F)ccc1O)[C@H]1CCCc2ccccc21	180153112	MHLQTQGXNAQOIJ-SFHVURJKSA-N	315.388	3.403	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@H](c1ccco1)N1CCCCC1	180395200	WPVCICPIMYKJKT-MRXNPFEDSA-N	318.392	3.441	10	20	DGCD	
CCOCCCN[C@H](C)c1ccc(Br)cc1O	184831080	STIHBXCBPHPACI-SNVBAGLBSA-N	302.212	3.232	10	20	DGCD	
CC[C@@H](C)[C@@H](O)CN[C@@H](C)c1cc(Br)ccc1O	185438166	YBEPKMUIOWCNDU-BFVZDQMLSA-N	316.239	3.212	10	20	DGCD	
CC[C@H]1CCc2nc(NC(=O)Cc3ccc(N)cc3)sc2C1	237078974	DONPVTKPYPVCBX-NSHDSACASA-N	315.442	3.421	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1	246502214	SPZFODGSSWFYRY-HOCLYGCPSA-N	317.477	3.193	10	20	DGCD	
COc1ccc(CNCc2ncc(C(F)(F)F)cn2)cc1C	294718645	CKPGDWPAWXHYJI-UHFFFAOYSA-N	311.307	3.102	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c1O	320183001	RVXRAXOGAGZZJH-IYVPYFHTSA-N	303.377	3.212	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CNc2ccccc21	325298920	VAXOHPSTPRNANC-SFHVURJKSA-N	323.440	3.310	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1occ2c1CCOC2	367696726	JCYXFRCAOKWSDT-UHFFFAOYSA-N	315.369	3.110	10	20	DGCD	
Cc1c(CNC(=O)N2CCC[C@@H]2C(F)F)n(C)c2ccccc12	574882263	NNYTZBVMRVYXIE-CQSZACIVSA-N	321.371	3.426	10	20	DGCD	
CC1(C)CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCCO1	735298065	OBZWCCJKOMYAMG-UHFFFAOYSA-N	307.434	3.396	10	20	DGCD	
Cc1cc(O)c(CN2CC[S@](=O)[C@H](C)[C@H]2C)cc1C(C)C	736599207	PJQSLLAWTGTZQY-LKBUQDJMSA-N	309.475	3.165	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2CCc3ccccc32)cc1	739926977	QKTQTFMZAMJCAK-UHFFFAOYSA-N	310.397	3.111	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)C[C@H]2C)cc1	740906962	KGGFSQGUGVYODQ-HUUCEWRRSA-N	303.450	3.473	10	20	DGCD	
Cc1ccc(N2CCN(Cc3cc(F)ccc3O)CC2)cc1	753577743	XZLNITILLQAVRV-UHFFFAOYSA-N	300.377	3.162	10	20	DGCD	
COCC(C)(C)CNCc1ccc(N2CCSCC2)cc1	755195637	PHXBLKLQXQUGPY-UHFFFAOYSA-N	308.491	3.002	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCc2ccccc2)c1	756344420	QSRVBMALHUEWRI-CQSZACIVSA-N	313.397	3.462	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)COC2)c1cc([N+](=O)[O-])ccc1O	756757303	CQORKRINFQLMJP-NSHDSACASA-N	314.341	3.181	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](F)c1ccccc1	769000591	CLWLIXRLDJDPMZ-KRWDZBQOSA-N	300.377	3.388	10	20	DGCD	
Oc1ccc([C@H]2CCCN2Cc2cc3c(cc2O)OCO3)cc1	769106877	PZIJXFAHGJRIDZ-OAHLLOKOSA-N	313.353	3.164	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCOC(C)(C)C	769110769	WWEIWCFIERAEMV-UHFFFAOYSA-N	321.465	3.018	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@H]1CC=CCC1)c1ccc(N(C)C)cc1	773622653	HAONAVGMFNJMHW-HUUCEWRRSA-N	301.434	3.469	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCc3cccc(C)c32)c1O	775057775	RUOBURLCFGAUJJ-UHFFFAOYSA-N	314.341	3.180	10	20	DGCD	
CC[C@H](N[C@@H](CCO)CSC)c1cc(Cl)ccc1O	775509691	PCVUEAFJFDQAQZ-AAEUAGOBSA-N	303.855	3.200	10	20	DGCD	
CCc1ccc(N(CC)C(=O)/C=C\c2cnc(OC)nc2)cc1	775783078	MZTUKJCDAJLNEU-FLIBITNWSA-N	311.385	3.114	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2c(Cl)cccc21	778918170	FQYCVMGBRQZVBP-CYBMUJFWSA-N	317.772	3.097	10	20	DGCD	
Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccccc1O	781468094	DQVDORGLDDAJIX-UHFFFAOYSA-N	322.368	3.208	10	20	DGCD	
CC(C)(C)OCCCC(=O)NCc1ccc(N2CCCC2)cc1	795204837	RKVKZHZOIORENW-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
CC(C)CC[C@H](O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	796448949	KVEONPYLSXVPHK-ROUUACIJSA-N	321.461	3.170	10	20	DGCD	
CC[C@H](N[C@@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1O	796959523	RADZUEXAQMRSDG-AEFFLSMTSA-N	317.404	3.484	10	20	DGCD	
COc1cccc(O)c1CNC[C@H]1CCCN1C1CCCCC1	797889768	DUNNITALRWIILL-MRXNPFEDSA-N	318.461	3.288	10	20	DGCD	
Cc1ccc2c(c1)/C(=C\c1cnc3c(c1)c(C)nn3C)C(=O)N2C	811699368	SJCFQWHLGGYPLP-CXUHLZMHSA-N	318.380	3.102	10	20	DGCD	
COc1cccc(OC)c1CN(C)Cc1ccc(N(C)C)cc1	813334789	YNWGFGGXCRBPAB-UHFFFAOYSA-N	314.429	3.402	10	20	DGCD	
C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(Cc2ccccc2O)C1	817415179	TZLHNAHMRMEBQV-ZFWWWQNUSA-N	305.418	3.192	10	20	DGCD	
C[C@H](NCc1ccc(CCN)cc1)c1cc(F)cc(F)c1O	817948364	IOYFFVKARAHELS-NSHDSACASA-N	306.356	3.022	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]4C[C@@H]43)cc2F)CC1	825137481	ASUWBRVGJKRXTE-UWWQBHOKSA-N	318.436	3.065	10	20	DGCD	
Cc1cccc(CN(C)CC(C)(C)NC(=O)OC(C)(C)C)c1O	826810712	WSOZUJXUEPHEHI-UHFFFAOYSA-N	322.449	3.436	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F	834828156	PUZXCIVTKABKLP-SMDDNHRTSA-N	316.367	3.357	10	20	DGCD	
Cc1cnc(CCN[C@@H](C)c2cc3c(cc2O)CCCC3)cn1	834907698	AGINOEBELJRFNW-AWEZNQCLSA-N	311.429	3.263	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@@H](C)c2ccc(F)cc2O)cc1C	834916446	YUAZMYYJKJOXHB-YOEHRIQHSA-N	317.404	3.402	10	20	DGCD	
C[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1	839562908	FMIAGCKEWGVREQ-KUHUBIRLSA-N	323.440	3.357	10	20	DGCD	
COC[C@H](C)[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839921554	KZKKKULYBNUAAV-XHSDSOJGSA-N	320.477	3.027	10	20	DGCD	
CCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)cn1	840878876	KKHCVWXUMYVEEP-UHFFFAOYSA-N	313.401	3.245	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2NCc1ccc(N(C)C)cc1C	840934818	XZVUTCHLDKNCKN-SFHVURJKSA-N	310.445	3.327	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCC[C@@]1(O)C[C@H]2CC[C@H]1C2	840948124	QRSFRZWQFRGCKM-VDZJLULYSA-N	302.462	3.092	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](CCCN)c2ccccc2)c1	841086753	KZXAOOBNPVDJOF-GOSISDBHSA-N	314.429	3.361	10	20	DGCD	
Nc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1	841302325	SXSKOFRKZAERPM-GOSISDBHSA-N	324.428	3.227	10	20	DGCD	
CCC[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCCC1	841914901	AITJPMWMURKQMN-QGZVFWFLSA-N	303.450	3.469	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c(O)cc1C	842613587	CXLUGZLLEHOIGS-GDBMZVCRSA-N	305.418	3.100	10	20	DGCD	
COc1cccc([C@@H](C)NCCN2Cc3ccccc3C2)c1O	846141945	OLAQYPHJBIIXOX-CQSZACIVSA-N	312.413	3.067	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](O)c2ccccc2C)c1O	846146992	UBSLOJPYVSKLDM-CZUORRHYSA-N	301.386	3.093	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2ccc(Cl)nc2)c1O	846151349	WVVBTJRTZOQGQT-LLVKDONJSA-N	306.793	3.343	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H]2N(C)CCCC2(C)C)c1O	846166855	DPFCMSMXYOJRAL-CZUORRHYSA-N	306.450	3.172	10	20	DGCD	
COc1ccc(N(Cc2cc(C(C)=O)no2)C(C)C)cc1F	846822297	MNJJAAQVVVKKAO-UHFFFAOYSA-N	306.337	3.440	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNC/C=C/CO)cc1	850357322	FPYNHLIHUSBWPB-NSCUHMNNSA-N	302.443	3.023	10	20	DGCD	
Cc1ccc([C@@H](C)NCC2CCN(CC3CC3)CC2)c(O)c1	850585391	WRGJKGPRUMNXEM-OAHLLOKOSA-N	302.462	3.473	10	20	DGCD	
COc1ccc(N(C)Cc2onc(C)c2[N+](=O)[O-])cc1Cl	851808193	MAKIVKNLQDWOHZ-UHFFFAOYSA-N	311.725	3.190	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Cn3cnc(C)n3)c2C)c1	853718776	NYUOQPLPWBNBBW-UHFFFAOYSA-N	308.385	3.185	10	20	DGCD	
COc1ccc(CNCC2(OC)CCCCCC2)c(O)c1OC	898259839	SMTWAXZUJCQNBX-UHFFFAOYSA-N	323.433	3.238	10	20	DGCD	
CCN(C(=O)CN[C@@H](C)c1ccc(F)cc1O)c1ccccc1	903197485	PIQMDZHPYQQDCB-ZDUSSCGKSA-N	316.376	3.235	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1CCOC2	929534137	ZYEIBELFSHXFHD-UHFFFAOYSA-N	324.424	3.098	10	20	DGCD	
CCOc1ccc(N(C)Cc2nc(COC(C)C)no2)cc1	929694876	CZSRZNOUIHKFFK-UHFFFAOYSA-N	305.378	3.030	10	20	DGCD	
Cc1cc(O)c(CNCCc2nc(C(C)C)no2)cc1Cl	1328742878	HKFFYDRXVYSRJT-UHFFFAOYSA-N	309.797	3.193	10	20	DGCD	
Cc1cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)ccc1N(C)C	1330326255	CNRSFTTWJRAWSH-UHFFFAOYSA-N	311.385	3.485	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2CCC[C@H]3OCC[C@@H]23)cc1F	1331496875	DAFMVCJAYJGWEA-XGWLTEMNSA-N	310.388	3.078	10	20	DGCD	
CCO[C@@H](CC)c1nnc(N(C)Cc2ccccc2O)n1CC	1339570922	ZTRXMYRYFQTOQE-HNNXBMFYSA-N	318.421	3.128	10	20	DGCD	
CC(C)(C)C[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)O	1603328022	SSAFPCVDLXASQZ-NSHDSACASA-N	303.761	3.164	10	20	DGCD	
O=C(O)c1cnc(SCc2cc(F)ccc2[N+](=O)[O-])s1	1608979052	HIKZZACZBUAKFS-UHFFFAOYSA-N	314.319	3.181	10	20	DGCD	
C[C@H]1CC[C@@](NCc2cc(Cl)cc(Cl)c2O)(C(=O)O)C1	1776628119	SHHSAAYJPSDGLP-RTHLEPHNSA-N	318.200	3.432	10	20	DGCD	
CCCOc1ccc(CN2CCC(n3ccnc3)CC2)c(O)c1	92648830	YLTJFPUSBGNMLQ-UHFFFAOYSA-N	315.417	3.215	10	20	DGCD	
C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1ccccc1O	109770778	DWCRJUDRVVADKT-NSHDSACASA-N	320.339	3.129	10	20	DGCD	
CCn1c(C)cc(C(=O)NCCCSc2nccs2)c1C	114374402	WHGQVTYMWQLVHK-UHFFFAOYSA-N	323.487	3.494	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccn1	125150826	YXTDXJPUEQSBSP-OAHLLOKOSA-N	322.412	3.018	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)C1(c2cccc(Cl)c2)CC1	159089028	YAEWYUCPLJBDMY-UHFFFAOYSA-N	317.772	3.099	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2nocc2C)cc1F	159494648	RTMNVELQKVNSCV-UHFFFAOYSA-N	320.368	3.290	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C	161298500	NBBRNMJAPKMYDA-STQMWFEESA-N	307.413	3.079	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC2(CN(C)C)CCCC2)c1	183950807	NWIPGZUPNYVTDV-AWEZNQCLSA-N	306.450	3.173	10	20	DGCD	
Cn1cc(CN2CCc3c(F)cccc32)c(-c2cccnc2)n1	184428887	YGCANXBESPFNRZ-UHFFFAOYSA-N	308.360	3.184	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCCC2=CCCCCC2)c1	184922803	CAOOKYOHNMSTEQ-UHFFFAOYSA-N	318.417	3.481	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCC2(CC2)C1	185748606	YXQWTHPUSVVOPI-UHFFFAOYSA-N	311.429	3.148	10	20	DGCD	
CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc2ccccc2c1O	186030031	IKAQBBSDGANPMQ-STQMWFEESA-N	321.442	3.019	10	20	DGCD	
COc1cc(C)c(NCc2cc(OC)c(OC)cc2O)cc1F	187483437	JAKTWMJHRMUHLL-UHFFFAOYSA-N	321.348	3.478	10	20	DGCD	
CSc1ccccc1S(=O)(=O)Nc1ccc(O)c(C)c1	188480011	LTNWVGOIKBEIPC-UHFFFAOYSA-N	309.412	3.223	10	20	DGCD	
CC[C@H](Nc1ccc(OCCC(N)=O)cc1)c1ccccc1O	192717837	VTCJDRCYMNIEIN-INIZCTEOSA-N	314.385	3.210	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1	238075904	SHBNDGCMDZFUMZ-UHFFFAOYSA-N	307.353	3.469	10	20	DGCD	
Cc1cc(Br)cc(CN(C)Cc2ccon2)c1O	271817258	MUZUOQOKOIFSOD-UHFFFAOYSA-N	311.179	3.083	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@]2(C)CCO[C@@H]2C2CC2)c1O	273049016	JZDIGYHKSYAKJN-SJORKVTESA-N	323.820	3.295	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1cncs1	282246591	GGAMUIBYIYAYLU-MDZDMXLPSA-N	315.442	3.271	10	20	DGCD	
CCC(=O)N1CC[C@H](N[C@@H](CC)c2cccc(Cl)c2O)C1	287771637	RNLWAGYBGULVSC-FZMZJTMJSA-N	310.825	3.097	10	20	DGCD	
Oc1cccc2c1[C@@H](N[C@@H]1CCN(c3ccccc3F)C1)CC2	297388446	RPBTXZFQGYAODD-ZBFHGGJFSA-N	312.388	3.387	10	20	DGCD	
Cc1c(CNC(=O)N(C)Cc2ccoc2)n(C)c2ccccc12	350060120	OOEAKBKUENDVHM-UHFFFAOYSA-N	311.385	3.421	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CSC[C@@H]3C)CC2)cc1	367705420	HAHDVBYEUZEGEY-GUYCJALGSA-N	306.475	3.005	10	20	DGCD	
CCOc1cccc(CN2CCC([C@@H]3CCOC3)CC2)c1O	368236712	VRZQSTGWHLWBTI-MRXNPFEDSA-N	305.418	3.039	10	20	DGCD	
Cc1c(CNC(=O)N2CC(C3CCC3)C2)n(C)c2ccccc12	503359320	XRDHMUYBNMTDDH-UHFFFAOYSA-N	311.429	3.428	10	20	DGCD	
C[C@H](CCc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1	588403510	MIZUXGAPHCZFJQ-GAJOTYCWSA-N	311.381	3.249	10	20	DGCD	
CC(C)C1(C)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588530007	DQUFDCJIEYNQJO-ALCCZGGFSA-N	303.402	3.396	10	20	DGCD	
COCC(C)(C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	727471569	HFAVKNMFCIIUSO-UHFFFAOYSA-N	321.421	3.100	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CN(CC)CC	731284232	NHVKZMKMWSBSEY-HNNXBMFYSA-N	321.465	3.044	10	20	DGCD	
O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(O)cs1	732277530	JQWFQISGTDXCLQ-XJKSGUPXSA-N	317.410	3.351	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](COC)C(C)C)cc1	743636403	FGUMTAFCHOUWTN-QGZVFWFLSA-N	321.465	3.003	10	20	DGCD	
CCOc1ccc(CN[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c(O)c1	752923784	GSQOIAUURAILSG-NWDGAFQWSA-N	318.421	3.273	10	20	DGCD	
CC(C)C[C@H](CN[C@H](C)c1cc(F)cc(F)c1O)N(C)C	756400003	SMDNPDMJRKSLTI-DGCLKSJQSA-N	300.393	3.297	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2ccco2)cc1	764630620	UEUPBVOXYIGNTO-UHFFFAOYSA-N	300.402	3.327	10	20	DGCD	
COc1ccc(CNCc2ccc(N(C)C)c(F)c2)c(C)c1	765263633	WGILFHOTBKVBBI-UHFFFAOYSA-N	302.393	3.499	10	20	DGCD	
COc1ccc(CN[C@@H]2CCN(C3CCCCC3)C2=O)cc1C	765266960	NFQQKEAIZZBYSN-QGZVFWFLSA-N	316.445	3.027	10	20	DGCD	
COc1cccc(CNC(=O)/C=C/c2ccc3[nH]ccc3c2)c1O	765864629	NTMRVZUNDYZPOM-SOFGYWHQSA-N	322.364	3.212	10	20	DGCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]2CCCC[C@@H]12	768439152	ILEWYCVLSXVEGR-YUFPNPJJSA-N	317.429	3.219	10	20	DGCD	
Oc1ccccc1CN1CCN(c2ccccc2Cl)CC1	770509464	NCGIHMVZZWXHFS-UHFFFAOYSA-N	302.805	3.368	10	20	DGCD	
CO[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C	771105427	UQYZHKYUYVXXBU-GOSISDBHSA-N	318.461	3.306	10	20	DGCD	
C[C@H](NC(=O)NC12CCC(CC1)C2)c1ccc(N(C)C)cc1	776239898	SCSWLNLXGLEFSL-VNSJNIRKSA-N	301.434	3.446	10	20	DGCD	
C[C@H](C[C@H](O)c1ccco1)NCc1cc(Cl)cc(F)c1O	776253328	MFVUBJUKLSMPKG-RNCFNFMXSA-N	313.756	3.380	10	20	DGCD	
COc1ccc([C@@H](NC(=O)c2cccc(O)c2O)C(C)C)cc1	776612502	CVNDUCOKAFZMMY-INIZCTEOSA-N	315.369	3.234	10	20	DGCD	
O=C(NCCCc1ccc(Cl)cc1)c1cccc(O)c1O	776643639	JNUHLBSFYLVLHE-UHFFFAOYSA-N	305.761	3.114	10	20	DGCD	
COC(=O)C[C@H]1CN(Cc2ccc(N(C)C)cc2)c2ccccc21	780774167	JWRXRAVHFYVZCS-INIZCTEOSA-N	324.424	3.420	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)c(O)c1O	781048275	HHLIHKWVVUQLKO-VHSXEESVSA-N	317.307	3.209	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2sccc12	782041077	FUEPFUZXMQEDMJ-SECBINFHSA-N	301.371	3.146	10	20	DGCD	
COC[C@@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1	796255075	PMKVFGMJCCHOBI-MRXNPFEDSA-N	310.441	3.374	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc3nccc(C)c3c2)c(O)c1	803292558	QQNUUIYXBQNELM-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
CC[C@@H](NCCC(=O)NC(C)(C)C)c1cccc(Cl)c1O	806146624	WCLABVWYSNMSRN-CYBMUJFWSA-N	312.841	3.391	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)C(F)(F)F)cc1	806464367	GOSGWFDOKWBLEP-LLVKDONJSA-N	317.355	3.283	10	20	DGCD	
CC[C@H](C)[C@@H](OC)C(=O)NCc1cc(Cl)cc(Cl)c1O	807838914	SZUDWRBCNQGLKR-ISVAXAHUSA-N	320.216	3.376	10	20	DGCD	
CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cc(Br)cc(F)c1O	810258102	ZGLHEKYYMDNXRT-VGMNWLOBSA-N	320.202	3.368	10	20	DGCD	
C[C@H](CSC(C)(C)C)NC[C@@H](N)c1ccc(N(C)C)cc1	817944048	WZPYLNDFRNLWJP-CZUORRHYSA-N	309.523	3.262	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cn1ccnc1C(C)C	820880156	XQHLMLANJVTBHF-UHFFFAOYSA-N	315.417	3.151	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CSc3ccccc32)c1	824484041	YSPBXUOQZAVKJH-LBPRGKRZSA-N	316.382	3.280	10	20	DGCD	
C[C@H](OCCc1ccccc1)C(=O)N[C@H](C)c1ccccc1O	827952009	CNEBXEALUKMAPD-CABCVRRESA-N	313.397	3.217	10	20	DGCD	
C[C@@H](c1ccccc1)N(CC[S@](C)=O)Cc1ccccc1O	828564198	NNOQTXXVHWDKCI-NYHFZMIOSA-N	317.454	3.334	10	20	DGCD	
O=C(O)c1cc2cc(COC(=O)c3cc(O)cs3)ccc2o1	833308370	RLPVBKPYZRRLOJ-UHFFFAOYSA-N	318.306	3.255	10	20	DGCD	
COc1cccnc1CN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	834907233	ZEGVESPXNOMAIY-CMPLNLGQSA-N	302.349	3.273	10	20	DGCD	
CC(C)O[C@H]1C[C@@H](NCc2cccc(Br)c2O)C1	839147134	DSFHFGZUFWOAPN-TXEJJXNPSA-N	314.223	3.200	10	20	DGCD	
C/C(=C/C(=O)N1CCCc2c(F)ccc(C)c21)c1cnccn1	839282565	LPNLLSXDHFMGGP-RAXLEYEMSA-N	311.360	3.307	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)NCc2ccc(OC)c(C)c2)s1	840721736	WJXPCSQDIYGIOJ-LLVKDONJSA-N	320.414	3.098	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O	842885355	NWLQGBUAEZTDAE-ZWNOBZJWSA-N	310.825	3.096	10	20	DGCD	
Nc1ccc(Cc2noc(Cc3ccc4c(c3)CCC4)n2)cc1	843158954	JGQAFKZYURFREF-UHFFFAOYSA-N	305.381	3.322	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1ccc(N)cc1)[C@H]2C	843496126	ZVQGQBIRZJORLN-KGLIPLIRSA-N	324.424	3.354	10	20	DGCD	
CCOc1ccccc1NC(=O)CN(C)c1ccc(OC)cc1	844353076	FVHKQUIVEMBQCS-UHFFFAOYSA-N	314.385	3.169	10	20	DGCD	
COc1ccc(CCN[C@H](C)c2cccc(OC)c2O)cc1F	846146041	PHHILDADLFNOIX-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
CCc1noc(CC)c1CC(=O)NCc1cc(Cl)ccc1O	846477501	ULXVSFDXKTXIRN-UHFFFAOYSA-N	322.792	3.017	10	20	DGCD	
CC(C)C[C@H](CNCc1cc(Cl)c(F)cc1O)CC(=O)O	854244015	LYYATMSJUHLDCG-JTQLQIEISA-N	317.788	3.411	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc3c2OCC3)c1	858478481	ROCUZNIUYAVNIT-LLVKDONJSA-N	313.353	3.287	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1C[C@H]1Cc1ccccc1)c1ccccc1O	868309321	UBJPAHOYOYCGHS-UNEWFSDZSA-N	310.397	3.384	10	20	DGCD	
COc1cc(Cl)cc([C@H]2NC(=O)c3ccc(C)cc3N2)c1O	877865103	VDQNJEUSQOWICJ-OAHLLOKOSA-N	318.760	3.217	10	20	DGCD	
O=[N+]([O-])c1c(NCCCSc2nccs2)ccnc1F	881981721	KYXMBAYRAAAYKA-UHFFFAOYSA-N	314.367	3.180	10	20	DGCD	
C[C@@H](NCc1nc2c(s1)CCC2)c1cc(F)cc(F)c1O	903190574	AVGXLBDNHNSDAG-MRVPVSSYSA-N	310.369	3.466	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(C)C	934706122	DNSHQHHOPTXHBO-INIZCTEOSA-N	304.434	3.004	10	20	DGCD	
CN1CCN(c2ccc(CN[C@H]3CCC(C)(C)C3)cc2F)CC1	1116440409	SSLUUTVZGIVFGN-INIZCTEOSA-N	319.468	3.246	10	20	DGCD	
CC(=O)COC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1317726204	MFMAWROTLVUVOU-UHFFFAOYSA-N	305.761	3.493	10	20	DGCD	
COC(=O)[C@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1O	1320717502	SHNXHOZTSCXZMY-CMPLNLGQSA-N	318.200	3.130	10	20	DGCD	
CCOC(=O)C[C@@H]1CCCN1Cc1ccc(N(C)CC)cc1	1321007470	HVMXNAAWVMQQIS-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
CC(C)[C@H](CNC(=O)Cc1ccc(N)cc1)Nc1ccccc1	1325977979	ZHZSPYJFNUSEAA-SFHVURJKSA-N	311.429	3.064	10	20	DGCD	
C[C@@H](NC(=O)NCC(C)(C)C1=CCOCC1)c1ccccc1O	1343255543	NHRXGWGCGXGAKE-CYBMUJFWSA-N	318.417	3.125	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1cc(C(=O)O)ccc1O	1593299873	XIKLTCRLLZQWJV-GFCCVEGCSA-N	314.385	3.007	10	20	DGCD	
C[C@H](NCC1(N(C)C)CCCCC1)c1cc(C(=O)O)ccc1O	1604336521	GNODKSQWKWMIAO-ZDUSSCGKSA-N	320.433	3.006	10	20	DGCD	
CCC(CC)[C@H](CN[C@@H](C)c1cc(C(=O)O)ccc1O)N(C)C	1609916448	AGAGKIWBMQLYJT-LRDDRELGSA-N	322.449	3.107	10	20	DGCD	
O=C(O)/C=C\c1ccc(NCc2ccccc2O)c([N+](=O)[O-])c1	1610751041	XUXOMBAKLJCICN-VURMDHGXSA-N	314.297	3.010	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCn2ccc3ccccc32)cc1	8171701	HGJQKXULXXARGQ-UHFFFAOYSA-N	321.424	3.414	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3cscn3)cc2)CC1	108295707	XWDPHMZLAOGCHW-UHFFFAOYSA-N	315.442	3.309	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(O)cccc1F	119408102	WVAYXJFRSUJBLU-UHFFFAOYSA-N	316.376	3.260	10	20	DGCD	
COCCC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCCC1	131214194	UBFCCIBKRTWQRS-CYBMUJFWSA-N	321.417	3.175	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@]4(CCOC4)C3)c2c1	151254688	ZJHDPKXXHAXSIT-IBGZPJMESA-N	313.397	3.166	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(C)C)nc2)c1	157605816	AMTWRYXRMQJTMF-LBPRGKRZSA-N	314.385	3.410	10	20	DGCD	
CCN1CCN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21	171892887	YJTDZTMPWOMDNZ-BQYQJAHWSA-N	311.360	3.107	10	20	DGCD	
C[C@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N(C)C)cc1	173217997	WPFGRHHSYURYPW-HNNXBMFYSA-N	323.440	3.409	10	20	DGCD	
COc1ccc(N(C)Cc2cc(OC)c(OC)cc2O)cc1F	180774152	VOYZQWAULSYIBR-UHFFFAOYSA-N	321.348	3.194	10	20	DGCD	
C[C@@H](NCCCNC(=O)c1ccc(F)cc1)c1ccccc1O	183599531	DOAHSWWMIBFGDF-CYBMUJFWSA-N	316.376	3.002	10	20	DGCD	
COc1c(C)cnc(CN(C)Cc2cccc(C)c2O)c1C	183783328	GKIMHEIEDRVKFO-UHFFFAOYSA-N	300.402	3.353	10	20	DGCD	
C[C@H](NCCC1(C)OCCO1)c1ccc2ccccc2c1O	183887391	PVGOVWORCAAMGL-ZDUSSCGKSA-N	301.386	3.349	10	20	DGCD	
COc1ccc([C@H](O)CN[C@H](C)c2cc(Cl)ccc2O)cc1	184948169	IOQGGPVYOUMVAS-PIGZYNQJSA-N	321.804	3.438	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2CC(=O)N(c3ccccc3)C2)c1	185164196	CYCVSHKKYHNJAN-CABCVRRESA-N	310.397	3.157	10	20	DGCD	
COC(=O)CCC(=O)CSc1ncc(C(C)(C)C)s1	195442789	AVNZJGYESHJSOQ-UHFFFAOYSA-N	301.433	3.055	10	20	DGCD	
CCCCO[C@H]1C[C@@H](NCc2ccc(OC)cc2O)C1(C)C	236864242	SXGIUKFTJVRVGH-SJORKVTESA-N	307.434	3.474	10	20	DGCD	
CCN(CC)c1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1	246123119	KLOPYCHTQYNVQC-MSOLQXFVSA-N	320.502	3.239	10	20	DGCD	
COc1ccc(N2CCN(c3ccncc3Cl)CC2)cc1	267419285	UCHDOPDCEXNCJS-UHFFFAOYSA-N	303.793	3.070	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1csnc1C	271294079	GNWDUGCPXBXUJO-UHFFFAOYSA-N	303.431	3.180	10	20	DGCD	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1O	276636175	WZQMPKNMNKRXNC-YPMHNXCESA-N	315.344	3.255	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc(COC)s1	285527992	CJAUTIXQJRQQCY-UHFFFAOYSA-N	320.414	3.048	10	20	DGCD	
Cc1noc([C@H]2CCCCN2Cc2cccc(Cl)c2O)n1	289936488	WVJFAJKCDATSRR-CYBMUJFWSA-N	307.781	3.464	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNc1cnc2c(c1)COCC2	365053864	PWXKHFRMQHQXFQ-UHFFFAOYSA-N	308.740	3.265	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H]2c2ncc[nH]2)c1O	375358932	ZDCQMYRNLVNSIV-LBPRGKRZSA-N	307.781	3.114	10	20	DGCD	
O=C(COC(=O)c1cc(O)cs1)c1ccc2c(c1)CCCC2	731912959	ZXZUUXKLWQZFNY-UHFFFAOYSA-N	316.378	3.372	10	20	DGCD	
CO[C@H](CNCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	733329603	WEHSDGUGMGBBFK-SECBINFHSA-N	318.122	3.366	10	20	DGCD	
CC(C)(C)c1cnc(NC(=O)NCc2ccccc2O)s1	743219809	CSYLEJMWHIWJQJ-UHFFFAOYSA-N	305.403	3.468	10	20	DGCD	
CCN(C[C@H](O)COc1cccc(C)c1)c1ccc(OC)cc1	747681542	AXZSCWCMNGBBTA-KRWDZBQOSA-N	315.413	3.270	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCc2ccncc2)cc1	754624024	CEPOQUCGWHLUEF-UHFFFAOYSA-N	319.408	3.462	10	20	DGCD	
C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1cncc(F)c1	757638771	NKKVNQYWZALQSM-UWVGGRQHSA-N	305.309	3.246	10	20	DGCD	
CCn1ccnc1CNc1ccccc1OC[C@H]1CCCCO1	758414009	OVYKYCMITJANBT-OAHLLOKOSA-N	315.417	3.463	10	20	DGCD	
COc1ccccc1OCCN[C@H](C)c1ccc(N(C)C)cc1	764587814	CDAFBNUZEYZDIE-OAHLLOKOSA-N	314.429	3.491	10	20	DGCD	
C[C@](O)(C1CCN(Cc2cc(F)ccc2O)CC1)C(F)(F)F	768533986	XGJGYOUSUDZSRR-AWEZNQCLSA-N	321.314	3.057	10	20	DGCD	
CC(=O)CCCCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773744198	PGCUXMBDIGILKV-ZDUSSCGKSA-N	321.417	3.075	10	20	DGCD	
Cc1cc2c(N(Cc3ccc(N(C)C)cc3)C3CC3)nccn2n1	775447693	BGCVXALMBCOAHD-UHFFFAOYSA-N	321.428	3.273	10	20	DGCD	
CN1CCN(Cc2cccc(Cl)c2O)C2(CCCCC2)C1	775735813	YJDYCQHUMZWPEA-UHFFFAOYSA-N	308.853	3.496	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@@H](C)C3)CC2)cc1	776308196	HFCCSSWVPQNOBP-CVEARBPZSA-N	316.445	3.170	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]2C(C)(C)O)cc1F	779165244	FOBZKQQIVCBDJM-KRWDZBQOSA-N	308.441	3.407	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(COC)ncn2)cc1	782141923	LEMAHXMYPQTNQU-UHFFFAOYSA-N	300.406	3.081	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1nnc(C2CC2)n1C1CC1	782903815	KJMQHDUHHOBZSD-UHFFFAOYSA-N	324.428	3.452	10	20	DGCD	
CCOC(=O)[C@@H](CC)N(Cc1ccc(N(C)C)cc1)C1CC1	787441750	ZVRPTESEBLIBII-QGZVFWFLSA-N	304.434	3.059	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCCCCCO)cc1	787983414	PCOGUDBLRSAJGR-UHFFFAOYSA-N	301.386	3.414	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C)n2C)cc1	788138157	AHULSIRKVLXGLA-UHFFFAOYSA-N	313.445	3.452	10	20	DGCD	
O=C(Nc1nc2c(s1)CCCCC2)c1cccc(O)c1O	790069098	JDFGSKKFDBTSNS-UHFFFAOYSA-N	304.371	3.076	10	20	DGCD	
Cc1cc(NC(=O)c2cccc(O)c2O)ccc1OC(C)C	790785119	TYNPMZBOMMUZSZ-UHFFFAOYSA-N	301.342	3.446	10	20	DGCD	
CS[C@@H](C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O	805226265	WILPERKNAOPCHY-ZETCQYMHSA-N	323.245	3.250	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NOC1CCCC1	805258921	CKKOWZAGAGZXLL-UHFFFAOYSA-N	319.188	3.372	10	20	DGCD	
CSc1ccc(OCCOC(=O)c2cccc(O)c2O)cc1	805532788	SIVRYBDQWNZZKG-UHFFFAOYSA-N	320.366	3.056	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H]2CCN(C)C[C@@H]2C)cc1F	809766503	ZHYCBLLMVJZXTL-YJBOKZPZSA-N	321.484	3.444	10	20	DGCD	
COc1cccc(CNC[C@H]2CSc3ccccc32)c1O	824482696	CJBXRUIBPLEMDH-ZDUSSCGKSA-N	301.411	3.380	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](N3CCCC3)C2)cc1Cl	824597657	UBLOOAQFWKPONC-HNNXBMFYSA-N	308.853	3.414	10	20	DGCD	
CCO[C@@H]1CCC[C@H]1NCc1ccc(Br)cc1O	826099512	CEGLLHHRAPMEKQ-TZMCWYRMSA-N	314.223	3.202	10	20	DGCD	
COC1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCCC1	839921701	LYIHATWJCJIFLD-HNNXBMFYSA-N	318.461	3.067	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@H]1c1ccco1	840305264	PTMQJEWGEMOFBG-IAGOWNOFSA-N	323.396	3.011	10	20	DGCD	
CCc1cccc(CNC[C@H](CO)c2ccc(Cl)cc2)c1O	848912376	PYAMZUHHGCTXMA-MRXNPFEDSA-N	319.832	3.474	10	20	DGCD	
COc1ccc(CN[C@@H](CO)c2ccc(F)cc2F)cc1C	850410413	MEIYXWBPUHIGOM-INIZCTEOSA-N	307.340	3.105	10	20	DGCD	
Cc1csc([C@@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)n1	854325141	ZNHQBLBGRYRHMS-CYBMUJFWSA-N	317.458	3.280	10	20	DGCD	
CN(C)c1ccc(CN(c2nccc3nccnc23)C2CC2)cc1	856724728	URUVRYRDMIUKNB-UHFFFAOYSA-N	319.412	3.260	10	20	DGCD	
Cc1cccc(O)c1CN1CCO[C@@H](c2cccc(F)c2)C1	876682749	OBDGDFRGXJLKSE-GOSISDBHSA-N	301.361	3.413	10	20	DGCD	
COc1cc(C[C@H](C)NCCCSc2nccs2)ccn1	877061372	FYDYRYCRNXPBFE-LBPRGKRZSA-N	323.487	3.250	10	20	DGCD	
CC[C@@H](NCc1cc(F)cc(F)c1O)[C@@H](O)c1ccccc1	883203705	JJIUJPQTYSDDNW-WBVHZDCISA-N	307.340	3.272	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)Cc2ccc(OC)c(OC)c2O)C1(C)C	892102047	REYOSEVFFMAJKU-CABCVRRESA-N	323.433	3.045	10	20	DGCD	
COc1ccc(CN2CC[C@@H]2c2cccc(F)c2)c(O)c1OC	892133336	NXFBONUMDHYJAL-OAHLLOKOSA-N	317.360	3.496	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCO[C@@H]1CCCCO1	894800298	SVHTXPQSIAIWQM-CYBMUJFWSA-N	320.216	3.332	10	20	DGCD	
CCOc1ccc(CNCC(C)(C)C2CCOCC2)c(O)c1	897451852	RDGCVOXXOSQFHO-UHFFFAOYSA-N	307.434	3.333	10	20	DGCD	
COC(=O)c1cnc(SC[C@@H](O)c2cccc(C)c2)s1	905954389	AZNUAVLKRFLBTF-LLVKDONJSA-N	309.412	3.064	10	20	DGCD	
COC(=O)c1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1	1203937667	KIFHIRFAUAVVJP-UHFFFAOYSA-N	312.413	3.171	10	20	DGCD	
COc1cc(CN2CCC[C@](C)(CO)C2)c(O)c(C(C)(C)C)c1	1327872612	UEARGANVFABYLJ-IBGZPJMESA-N	321.461	3.293	10	20	DGCD	
COc1ccc(CNC[C@H]2CCCC(F)(F)C2)c(O)c1OC	1335051984	TTXFOWNNMDVZJC-NSHDSACASA-N	315.360	3.325	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1	1337019247	PWOSETQXLBUQJY-GOSISDBHSA-N	324.428	3.055	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2nc(C)cs2)cc1F	1339973127	PISVFTUFRTYGSV-UHFFFAOYSA-N	321.421	3.367	10	20	DGCD	
Cn1c([C@@H]2CCCN2Cc2ccc(N)cc2)nc2ccccc21	1345159265	DNYNICKQAYVKBF-SFHVURJKSA-N	306.413	3.493	10	20	DGCD	
O=C(NCc1cccc(O)c1O)C1(C(F)(F)F)CCCCC1	1548791545	ONJSHZIMAABYRS-UHFFFAOYSA-N	317.307	3.227	10	20	DGCD	
CC[C@H](NCc1ccc(C)cc1)c1cccc(-c2nn[nH]n2)c1O	1590465133	GFARKBKYMJNYQD-INIZCTEOSA-N	323.400	3.122	10	20	DGCD	
CCOc1ccc(N(CC)Cc2cccc(-c3nn[nH]n3)c2)cc1	1604459974	IXTSTGHUTHKILJ-UHFFFAOYSA-N	323.400	3.292	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccc3c(c2)C[C@@H](C)O3)SC1=S	40018626	QJLGYRPFJIHXOR-PGEKAQRJSA-N	305.424	3.231	10	20	DGCD	
O=C(c1cccnc1)N(Cc1ccco1)Cc1ccccc1O	71797580	SJCAUMWLQRFDAO-UHFFFAOYSA-N	308.337	3.223	10	20	DGCD	
CC(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	81203364	CHNQLYSUKGAFNY-GFCCVEGCSA-N	312.360	3.029	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1cn2ccccc2n1	102896934	JPHUPPGHYLQUQQ-UHFFFAOYSA-N	323.396	3.021	10	20	DGCD	
CSc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1	112270563	XGIOBCGYALGQDL-UHFFFAOYSA-N	304.415	3.340	10	20	DGCD	
Cc1cc(NC(=O)NCCCSc2nccs2)ccn1	119835625	HICWRTYWZSMABM-UHFFFAOYSA-N	308.432	3.150	10	20	DGCD	
C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	124834340	DXZLOSPUMDRPRB-CRAIPNDOSA-N	313.445	3.441	10	20	DGCD	
CC[C@@H](C)[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	151514845	DVBBGNIFMFYAKM-KGLIPLIRSA-N	308.441	3.311	10	20	DGCD	
O=C(NCCCSc1nccs1)N1CCc2ccccc21	176678982	ALILSBFZCRIAGL-UHFFFAOYSA-N	319.455	3.398	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(C#N)cc2OC)c1	182405429	XMAPEOUKQYIUHT-LBPRGKRZSA-N	312.369	3.132	10	20	DGCD	
Cc1ccc([C@H](C)NCCCN2CCCCCC2=O)c(O)c1	184867782	BPIRSGZBBPKIGM-HNNXBMFYSA-N	304.434	3.144	10	20	DGCD	
CC(C)CC(=O)N1CCC(N[C@H](C)c2cc(F)ccc2O)CC1	185215443	UUPGXOPUTBSEOK-CYBMUJFWSA-N	322.424	3.219	10	20	DGCD	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc3ccccc3c1O)CC2	185317752	DGFQQSVSVKMFHR-IUODEOHRSA-N	322.412	3.111	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1O	185639450	TWYFLIYVLBGTQU-OQPBUACISA-N	322.257	3.218	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)NC(C2CC2)C2CC2)cc1	191580855	FFGZJTBZOFFNHF-UHFFFAOYSA-N	316.445	3.215	10	20	DGCD	
C[C@H](CNCc1cc(Cl)cc(Cl)c1O)Cn1ccnc1	237532679	DKAKBZKBGUAUEN-SNVBAGLBSA-N	314.216	3.321	10	20	DGCD	
CC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(CC)CC	265408212	CSCYGKUHSCSOSU-GOSISDBHSA-N	317.477	3.023	10	20	DGCD	
COc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	273428430	VBGWUDKOCFUYMC-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273496182	PEJVTMLHTUZNDV-VHSXEESVSA-N	319.361	3.360	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](CO)c2c(F)cccc2F)c1	273540896	YFYZTQXERCCUQI-MEBBXXQBSA-N	323.339	3.063	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H](C)CC(C)(C)O)c1O	295067759	OXVWKTDAGZMISB-SNVBAGLBSA-N	316.239	3.102	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ncc(C(F)(F)F)cn2)c1	296417543	LFCLDMQUZABWDQ-JTQLQIEISA-N	311.307	3.360	10	20	DGCD	
C[C@H]1SCC[C@@H]1NCc1cc(Br)ccc1O	309833380	ZGELALSJBOGAGG-KCJUWKMLSA-N	302.237	3.138	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)C(C)(C)C)CC2)cc1	363224199	RZJNYJVOIZSLIV-OAHLLOKOSA-N	318.461	3.416	10	20	DGCD	
CC[C@@H](N[C@@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1O	375647663	FKQXDQAUKITCCJ-NVXWUHKLSA-N	311.429	3.397	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)CCCOC(C)C)c1O	394865245	UFWRASQXPJJZPC-UHFFFAOYSA-N	313.825	3.495	10	20	DGCD	
CCCCO[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C	471233788	LTEYYSMHSMBGAT-CQSZACIVSA-N	302.418	3.308	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)c1ccccc1	588405169	NTXSPAHZFBFRGY-HOMNVKPHSA-N	311.381	3.419	10	20	DGCD	
CC[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1	588405341	BKJMGGLCTQJNSB-KLQCNHIUSA-N	311.381	3.421	10	20	DGCD	
Cc1[nH]c2ccccc2c1CCNC(=O)c1cc(O)cs1	732282216	AOGWACFTPLOCNU-UHFFFAOYSA-N	300.383	3.216	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2ccccc2F)cc1	732410925	NLSFZOPFFFLBLQ-UHFFFAOYSA-N	302.393	3.403	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(OC)ccc1O	734066463	OQKCAFUXCKFRTA-DOMZBBRYSA-N	306.406	3.169	10	20	DGCD	
COc1ccccc1[C@@H]1CCN(C(=O)c2cc(O)cs2)C1	738554718	IOYXPFDMZJDMDZ-LLVKDONJSA-N	303.383	3.092	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2cccc(OC)c2O)C12CCCC2	742390951	WKLBOSWZXKEGGJ-JKSUJKDBSA-N	305.418	3.228	10	20	DGCD	
O=C(CC1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	743339761	YBVOACSFHKDVDH-INIZCTEOSA-N	303.402	3.090	10	20	DGCD	
O=C(CSc1ccc(F)c(F)c1)NCc1ccccc1O	748352244	ARHXVKQLQHMUJT-UHFFFAOYSA-N	309.337	3.079	10	20	DGCD	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1O	760452988	ABUYJRQHJFSASP-NSHDSACASA-N	305.761	3.129	10	20	DGCD	
CN(Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1Cl	768198513	URWCMCRFEKLEEO-UHFFFAOYSA-N	305.761	3.406	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]2CC(=O)OC)cc1	769481487	BERHQZWQBHKWLY-KRWDZBQOSA-N	304.434	3.060	10	20	DGCD	
COCCOC[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1	773024567	IVAIAQLKDYIUIV-SJORKVTESA-N	320.477	3.379	10	20	DGCD	
C[C@H](NC(=O)NC(C1CC1)C1CC1)c1ccc(N(C)C)cc1	773163593	SAKYFJGTKXHXHT-LBPRGKRZSA-N	301.434	3.301	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N1c2ccccc2C[C@@H]1C	775128395	ASEAHWLHCRWWMA-ZNMIVQPWSA-N	324.424	3.409	10	20	DGCD	
O=C(OCc1coc(-c2ccccc2)n1)c1cccc(O)c1O	776280707	WMKAUMPRAJTDTK-UHFFFAOYSA-N	311.293	3.110	10	20	DGCD	
COC(=O)[C@@H](NCc1cccc(Cl)c1O)c1ccccc1F	779178345	NTNZAGQUYUGQMN-AWEZNQCLSA-N	323.751	3.189	10	20	DGCD	
COc1ccc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc2n1	780927195	OVVDPKXAJRCJAF-UHFFFAOYSA-N	324.336	3.215	10	20	DGCD	
CC[C@H]1CC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	806133192	IVNMGARXLRTJGY-YOEHRIQHSA-N	306.425	3.065	10	20	DGCD	
CC[C@@H](NCC[S@@](=O)CC)c1ccc(C(F)(F)F)cc1O	810218175	PEWLDCLXCJBGIF-GTJPDFRWSA-N	323.380	3.220	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCN3)ccc21	817901766	YHSDSKCOXUXYOW-CEXWTWQISA-N	313.489	3.079	10	20	DGCD	
COc1ccc([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)cc1	817938362	JKJVGUQYRRGWMK-LIRRHRJNSA-N	313.445	3.112	10	20	DGCD	
CC[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1O	817942304	NZNYXLPMOJJQBB-ROUUACIJSA-N	313.445	3.199	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)NCCC3CCC3)cs2)cc1	817945098	UFVBAAYZJDNWEO-UHFFFAOYSA-N	315.442	3.236	10	20	DGCD	
CCOc1ccc(O)c(CN(C)C2(C(=O)O)CCCCC2)c1	833663258	SWWNNAMTOPRWFA-UHFFFAOYSA-N	307.390	3.010	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)N[C@@H]1CCc2cccc(O)c21	834845000	XLBRABQVVSWGOR-NWDGAFQWSA-N	303.324	3.327	10	20	DGCD	
CC[C@@H](N[C@@H](C)C(=O)Nc1cccnc1C)c1ccccc1O	834912580	SMCSUQIPPGUYRR-DZGCQCFKSA-N	313.401	3.164	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCc1ccc([N+](=O)[O-])cc1	840931420	GMTLMKOZLWNDNX-UHFFFAOYSA-N	313.401	3.302	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](c1ccnn1C)C(C)C	840941739	KAOGNFJIDBTEQS-GOSISDBHSA-N	314.477	3.324	10	20	DGCD	
CCOc1cccc(CN2CC3(CCOCC3)[C@H]2C(C)C)c1O	840968607	ATEUXVZXDPJICD-GOSISDBHSA-N	319.445	3.428	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@@H]2CCS[C@H]2C)c1	842778896	ONDFGJYDJFBRCC-JOYOIKCWSA-N	316.264	3.447	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cccnc2OC(C)C)c1O	846140370	PMBQBMHMJGUPBJ-CYBMUJFWSA-N	316.401	3.434	10	20	DGCD	
COC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccccc1	846150588	JFJZVCOUUBLYTK-CJNGLKHVSA-N	301.386	3.439	10	20	DGCD	
CCOc1ccc(N[C@H](C)c2cccc(OC)c2O)cc1CO	846158603	BILDHFAYYFIHSS-GFCCVEGCSA-N	317.385	3.465	10	20	DGCD	
CN(CCC1CN(C(=O)OC(C)(C)C)C1)Cc1ccccc1O	859189145	NMIWNSRBUBTUOZ-UHFFFAOYSA-N	320.433	3.081	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1	862760341	QMGXCSJJXDJZBM-HIFRSBDPSA-N	317.335	3.399	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(C)s2)c(O)c1OC	891922582	GBMWGIKYWKNBDS-UHFFFAOYSA-N	307.415	3.411	10	20	DGCD	
CCOC(=O)C1CCC(NCc2ccc3c(c2)CCCO3)CC1	895826492	XAKQLYIMUPQJGK-UHFFFAOYSA-N	317.429	3.223	10	20	DGCD	
COCCN(Cc1ccc(N2CCCC2)cc1)CC(F)(F)F	1116444580	YIFMQUJFCUOFCW-UHFFFAOYSA-N	316.367	3.298	10	20	DGCD	
COC(=O)CN(Cc1c(O)ccc2ccccc12)CC(C)C	1319081831	LHRBEKHVFJSHCK-UHFFFAOYSA-N	301.386	3.176	10	20	DGCD	
COc1ccc(N(Cc2cc(C(=O)O)co2)CC2CC2)cc1	1777366986	GFMLBGBCMXBVHY-UHFFFAOYSA-N	301.342	3.403	10	20	DGCD	
COCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	49612325	MOTRAFMZUGTEKA-UHFFFAOYSA-N	304.434	3.062	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(C)CCCC2)c1	66599643	AVTDILKBCNFRIK-LBPRGKRZSA-N	306.406	3.341	10	20	DGCD	
Cc1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cs1	72952781	FMUPWKWGLSGMPP-MRXNPFEDSA-N	318.442	3.338	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCCOC[C@@H]1CCCO1	123851668	KZAUMQRTZSPATH-HNNXBMFYSA-N	318.442	3.375	10	20	DGCD	
CCCCN(C)CC1CCN(Cc2cccc(OC)c2O)CC1	134165253	BLLBSNAYVKVWHJ-UHFFFAOYSA-N	320.477	3.345	10	20	DGCD	
COc1ccc(CCN[C@@H](C)c2cc(F)ccc2O)cc1OC	176980278	NBDPMYIIWRVZSX-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
CCc1ccc([C@H](COC)NCc2cc(OC)ccc2O)o1	182224106	SXBUOBQDDLTLOR-HNNXBMFYSA-N	305.374	3.034	10	20	DGCD	
C[C@@H](NCCCCNc1ccccn1)c1cc(F)ccc1O	185325989	SPNUXJLRXUXGCH-CYBMUJFWSA-N	303.381	3.469	10	20	DGCD	
O=C(/C=C/c1cccc(O)c1)NCc1ccc(N2CCCC2)cc1	187988784	KTXMHGUXWUBGAY-DHZHZOJOSA-N	322.408	3.322	10	20	DGCD	
CC(C)c1cnc(NC(=O)NCCc2ccc(O)c(O)c2)s1	192391252	XSIQOAHGMQPVAJ-UHFFFAOYSA-N	321.402	3.042	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCO[C@@H](C)C1	271584185	RKXHGEVJINUWCG-LSDHHAIUSA-N	320.433	3.129	10	20	DGCD	
COc1cccc(CN[C@H](C)[C@@H](OC)c2ccccc2F)c1O	271922359	CGDVXMNWKOMSON-KZULUSFZSA-N	319.376	3.406	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1O	277172840	HXDAKGSNNFGYMG-RYUDHWBXSA-N	318.421	3.273	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H]1CCOC1	283549349	DTSJVWSMZZDFMZ-HOCLYGCPSA-N	320.433	3.129	10	20	DGCD	
CC(C)N1CC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1	320265945	SFWDBWHUAWPGOQ-LJQANCHMSA-N	315.505	3.497	10	20	DGCD	
Clc1cncnc1N1CC=C(c2c[nH]c3ncccc23)CC1	344985041	KLYBKZNYKZXEAB-UHFFFAOYSA-N	311.776	3.300	10	20	DGCD	
COc1ccc(N2CCCN(CC3(SC)CC3)CC2)cc1	377623024	ZCOALIRGIWPTLK-UHFFFAOYSA-N	306.475	3.103	10	20	DGCD	
Oc1cc2c(cc1CN1CCCc3sccc3C1)OCO2	730453901	DSTPGPBTXVKGEC-UHFFFAOYSA-N	303.383	3.131	10	20	DGCD	
Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	732353704	LDNFTLQPBYVUNE-SECBINFHSA-N	323.345	3.085	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C[C@H]1OCCc2ccccc21	734636872	CDRMNDFCKVLQFB-HXUWFJFHSA-N	310.441	3.498	10	20	DGCD	
C[C@H](NCc1csc(N(C)C)n1)c1cc(F)cc(F)c1O	756635682	GYZXBXKMCSMTEI-QMMMGPOBSA-N	313.373	3.044	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ncsc1C(F)(F)F	764606948	CBUOQKHRUPWPAN-UHFFFAOYSA-N	316.304	3.140	10	20	DGCD	
CN1CCN(c2ccc(CNC3CCC(F)(F)CC3)cc2)CC1	771864050	IREHFAOMNPJCJB-UHFFFAOYSA-N	323.431	3.106	10	20	DGCD	
COc1ncc(/C=C/C(=O)N2C[C@H](C(C)C)c3ccccc32)cn1	773328999	YDZNADYVFDZHKN-ROJDOSBLSA-N	323.396	3.285	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(Cl)nc1)c1ccc(N(C)C)cc1	773988525	LTJUZMNLNARMBE-LLVKDONJSA-N	303.793	3.292	10	20	DGCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)c2cccc(F)c2O1	776008616	UKALTKVBNFXAMM-JTQLQIEISA-N	317.316	3.048	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N(C)c1ccc(N(C)C)cc1	776828668	LLZNVAWCWJUMON-MDZDMXLPSA-N	301.415	3.194	10	20	DGCD	
Cc1ccc(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])c(O)c1O	783345059	QCPIIHVXFKNKHH-SNVBAGLBSA-N	317.297	3.232	10	20	DGCD	
COc1cc(Cl)cc(CN(C)Cc2ccc(C)cn2)c1O	789593740	AGLGFZBZWZKZJB-UHFFFAOYSA-N	306.793	3.390	10	20	DGCD	
C[C@@H](NCC(C)(C)CN1CCCC1)c1cc(F)cc(F)c1O	790749126	CUOZHEIQSXJFHJ-GFCCVEGCSA-N	312.404	3.443	10	20	DGCD	
Cc1cc(O)c(CN2C[C@@H](C)O[C@]3(CCOC3)C2)cc1C(C)C	794707405	RWIORVCONDVEOQ-DNVCBOLYSA-N	319.445	3.204	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@@H]2CCCOC2)c(C(F)(F)F)c1	809693015	LWUGIBXFNIDULH-CQSZACIVSA-N	316.367	3.382	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)C1C[C@@H]2CC[C@H](C1)N2C	809705022	MCFZWPLHPPIZND-PBWFPOADSA-N	312.816	3.242	10	20	DGCD	
Oc1cc2c(cc1CNC[C@@H](c1ccccc1)C1CC1)OCO2	814299187	QQNVPQQKSVMAGD-INIZCTEOSA-N	311.381	3.404	10	20	DGCD	
CO[C@H](CN[C@H](C)c1cccc(C(F)(F)F)c1O)C1CC1	815651677	ZUHLJBFQFUPDGC-NOZJJQNGSA-N	303.324	3.487	10	20	DGCD	
CCCCN(C)C[C@@H](C)NCc1cc(Cl)c(F)cc1O	816615098	MWSMQZUHBNSBKC-LLVKDONJSA-N	302.821	3.395	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccnc(Cl)c1	817939893	CZZLFMAMADQPMA-MLGOLLRUSA-N	318.852	3.152	10	20	DGCD	
Cc1cc(O)c(CN2CC[S@@](=O)C(C)(C)CC2)cc1Cl	826084133	UTYHQLNPSCLTPJ-HXUWFJFHSA-N	315.866	3.087	10	20	DGCD	
Cc1nsc(NC2CC2)c1C(=O)N[C@H](C)c1ccccc1O	827946217	AOXSKFAFLIWVDW-SECBINFHSA-N	317.414	3.222	10	20	DGCD	
COCCCOC1CCN(Cc2ccc(N(C)C)cc2C)CC1	840918517	UUYCBCRIDHYJAJ-UHFFFAOYSA-N	320.477	3.079	10	20	DGCD	
COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1	841300195	MMJPDXGLCRVCDU-CYBMUJFWSA-N	311.385	3.299	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cc(C(=O)O)c(C)o1	846235180	URQWXNGZVIXHLR-UHFFFAOYSA-N	301.342	3.248	10	20	DGCD	
CN(CCCCC1CCOCC1)c1ccc(OCC(=O)O)cc1	846279565	GDRHCGVTYDNMSI-UHFFFAOYSA-N	321.417	3.183	10	20	DGCD	
CC[C@@]1(NCc2cc(OC)cc(C(C)(C)C)c2O)CCOC1	850275111	QBMJYASROCKMRC-GOSISDBHSA-N	307.434	3.357	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCCN(C(C)C)C(C)C)c1	858286395	ATKGKQWLHTZKPI-UHFFFAOYSA-N	321.465	3.009	10	20	DGCD	
CCOc1ccc(CN[C@H](CC)[C@@H](O)c2ccccc2)c(O)c1	873194992	XJYUTFXHRKYDSB-MJGOQNOKSA-N	315.413	3.393	10	20	DGCD	
C[C@@H]1CC[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1	877491524	LKOKYELJIHHUCE-NVXWUHKLSA-N	302.462	3.174	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccc2oc(O)nc2c1	877808864	XYWAPCXXHZQKKS-UHFFFAOYSA-N	311.385	3.198	10	20	DGCD	
CN(C)c1ccc(/C=C/CN2CCC[C@@H](CCC(=O)O)C2)cc1	901553529	LPVSYZJUXMKJHH-RCFWFJCLSA-N	316.445	3.343	10	20	DGCD	
O=C(O)c1ccc2c(c1)[C@@H](CNCc1ccccc1O)CCC2	901882277	ZIRYRFRGXMTGFA-OAHLLOKOSA-N	311.381	3.300	10	20	DGCD	
O=S(=O)(Nc1cc(F)c(O)cc1Cl)C1=CCCCC1	901962184	BQCZVNMMHJJHTI-UHFFFAOYSA-N	305.758	3.384	10	20	DGCD	
CCN(C(=O)CN[C@@H](C)c1cc(C)ccc1O)c1ccccc1	903196947	ISQXNRVZZHHWMY-HNNXBMFYSA-N	312.413	3.404	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCC2(NC(=O)OC(C)(C)C)CC2)c1	903239117	INEUUJVHVJAUFR-CYBMUJFWSA-N	320.433	3.409	10	20	DGCD	
C[C@@](O)(CNCc1ccc2c(c1)CCCO2)c1ccc(F)cc1	921939775	GZJZQMAQMGEQOV-LJQANCHMSA-N	315.388	3.148	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2c1OCC2	930204539	AEILQUMAYQYDOW-UHFFFAOYSA-N	322.408	3.152	10	20	DGCD	
C[C@H]1CCCN(C(=O)CCN[C@@H](C)c2ccc(Cl)cc2O)C1	1118027235	VPPKZFKUQRDIFK-STQMWFEESA-N	324.852	3.345	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[C@@H](F)C1	1118124131	VJYYFVZEQHLGPE-HZPDHXFCSA-N	317.408	3.143	10	20	DGCD	
COc1ccc(CNCC2(CCNC(=O)C(C)C)CC2)cc1C	1163476343	KOBQFTJBNNLJLM-UHFFFAOYSA-N	318.461	3.036	10	20	DGCD	
COc1cccc(CNC(=O)C(F)(F)c2ccccc2C)c1O	1253824831	GVFNWAQJGGHJEF-UHFFFAOYSA-N	321.323	3.117	10	20	DGCD	
c1cn([C@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)cn1	1320498185	ULCHBOBVGNWRLM-IBGZPJMESA-N	310.445	3.320	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1nc(C(C)C)n[nH]1	1330713007	GOQPARSXOGCLJC-VXGBXAGGSA-N	300.406	3.280	10	20	DGCD	
Nc1ccc(CNC(=O)N(CCC(F)(F)F)CC2CC2)cc1	1353538815	CTWNRWJKAFBWKB-UHFFFAOYSA-N	315.339	3.143	10	20	DGCD	
CC[C@H](CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C(C)(C)C	1577041436	LPVIEINLBMBYLK-WBVHZDCISA-N	319.493	3.331	10	20	DGCD	
Cc1cc(CNC[C@@H]2CC(F)(F)CN2)c(C)n1-c1ccccc1	1579601242	LDCKABLLAJGYJY-INIZCTEOSA-N	319.399	3.181	10	20	DGCD	
COc1cc(COc2ccc(N(C)C)c(C(=O)O)c2)ccc1C	1599416772	HQHIKPZUYYJGDL-UHFFFAOYSA-N	315.369	3.347	10	20	DGCD	
COc1ccc(CN[C@H](C)CNC(=O)C(C)=C2CCC2)cc1C	1752870436	WEPQXPVJVNMESS-CQSZACIVSA-N	316.445	3.098	10	20	DGCD	
Nc1ccc(CC(=O)NC2CCC(C(F)(F)F)CC2)cc1	37044159	BSNZRKJNMMYLCT-UHFFFAOYSA-N	300.324	3.049	10	20	DGCD	
COc1cc2c(c(CN(C)Cc3ccccc3O)c1)O[C@@H](C)C2	91956490	BYWVNSAPUAFCMB-ZDUSSCGKSA-N	313.397	3.356	10	20	DGCD	
CCOc1cccc(CN(CC(=O)OC(C)(C)C)C(C)C)c1O	93692519	UFKMCRGSUAHLHD-UHFFFAOYSA-N	323.433	3.343	10	20	DGCD	
Cc1ccc(C(=O)OCCOc2ccc(Cl)cc2)c(O)c1O	110005012	WOPXLTAXEMIFGE-UHFFFAOYSA-N	322.744	3.295	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2C)c1	114566571	LJWCFLXDACBCAQ-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
Cc1nc([C@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)no1	129059014	MRKCHTPONVGPJJ-ZDUSSCGKSA-N	324.384	3.277	10	20	DGCD	
Oc1ccc(Cl)cc1CNc1cccc(-n2ccnn2)c1	136836323	PONCVTWUNSPTBF-UHFFFAOYSA-N	300.749	3.238	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)c(F)c1	152981861	ANTOGGKWPOUONV-VIFPVBQESA-N	322.311	3.129	10	20	DGCD	
CN(Cc1cc(Br)ccc1O)C[C@@H]1CCCOC1	156030631	QBRSTMNHHNJFJP-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)N1CCC(C)CC1	174373019	OJUVKWYGHIBPDQ-MRXNPFEDSA-N	318.461	3.251	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cc(C)c(F)c(C)c1	174728859	SCZJAXXFFYJABM-UHFFFAOYSA-N	309.362	3.257	10	20	DGCD	
Cc1sc2ncnc(NCc3ccc(O)c(O)c3)c2c1C	178904865	YNKLRWRAFCQMHM-UHFFFAOYSA-N	301.371	3.331	10	20	DGCD	
COC(=O)[C@@H](NCc1cccc(C)c1O)c1ccc(F)c(C)c1	189595442	RFTVTUAEWWWHIP-INIZCTEOSA-N	317.360	3.152	10	20	DGCD	
CC(C)=CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	190567750	SELKXXHDZYPKKH-INIZCTEOSA-N	318.417	3.049	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(Cl)nc2C)c1	194618661	KQGPDLFHDRLLGX-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
CC1(C)C[C@H](NC(=O)Cc2ccc(N)cc2)c2ccccc2O1	236759129	XWHNYCQKGXISBC-INIZCTEOSA-N	310.397	3.230	10	20	DGCD	
CCOCCC1(CNC(=O)NCc2ccccc2O)CCCC1	268520784	BQSPQXCLSONCSG-UHFFFAOYSA-N	320.433	3.178	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@@](C)(O)C(F)(F)F)cc1	271491092	KUBCALNAESEEDC-SMDDNHRTSA-N	304.356	3.107	10	20	DGCD	
C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1O	273449206	FPOYUTGLGAZJPB-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
Cc1nc(CCN[C@@H](C)c2ccc(Cl)c(Cl)c2O)n[nH]1	273480565	ULOPJBUBSSTKGQ-ZETCQYMHSA-N	315.204	3.019	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCO[C@H](C(C)C)C2)c1	273482396	MFKGBYUPMIJIIT-QEORTHHSSA-N	321.417	3.033	10	20	DGCD	
CCCN(c1ccc(CN)cc1)C1CCC(C(=O)OC)CC1	278355370	JBBWPIOSRQCQNL-UHFFFAOYSA-N	304.434	3.094	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2ncnn2C(C)(C)C)cc1	281939553	BKCLCAXVHYKHDA-AWEZNQCLSA-N	315.465	3.340	10	20	DGCD	
CC(C)SCCNC(=O)NCc1ccc(N2CCCC2)cc1	286806495	ZFGWVQDBJNXOFR-UHFFFAOYSA-N	321.490	3.228	10	20	DGCD	
C[C@@H](NCC(C)(C)OCCO)c1ccc(N2CCCCC2)cc1	287415185	RUWUTCYUAIPNMN-MRXNPFEDSA-N	320.477	3.115	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cncs1	288606279	QNXVIVDORCKSJG-UHFFFAOYSA-N	315.442	3.406	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N)ccc1Cl	314944441	RJNJGDOHXQNQBP-UHFFFAOYSA-N	317.820	3.260	10	20	DGCD	
C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1O	370372911	GDHOZIJDSWMHQU-PXAZEXFGSA-N	300.377	3.369	10	20	DGCD	
Cn1ccnc1[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1	373228797	NDMJGQZWMGCKMN-LLVKDONJSA-N	323.799	3.298	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1	377890933	ZFVBOWAFVDHUGH-QGZVFWFLSA-N	312.461	3.256	10	20	DGCD	
C[C@H](CCOCc1ccccc1)NC(=O)Nc1ccc(N)cc1	390116262	CMEKDWRPJFAIPL-CQSZACIVSA-N	313.401	3.386	10	20	DGCD	
COc1cc(OC)cc(N(C)C(=O)/C=C/c2cnccc2C)c1	492030492	JJTGUXJVGFUIIK-AATRIKPKSA-N	312.369	3.083	10	20	DGCD	
O=C1CC[C@@H]2CN(C(=O)/C=C\c3cncc(F)c3)c3cccc1c32	492647049	XAVUPNLKJOZRNV-LLPBQKLSSA-N	322.339	3.341	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1cccc2c1OCCO2	734508629	BGDOMUMJIZCFBO-UHFFFAOYSA-N	312.413	3.122	10	20	DGCD	
Cc1ccc(-c2ocnc2C(=O)NCc2ccccc2O)cc1	743327839	QOFCCXBWDBSLGC-UHFFFAOYSA-N	308.337	3.286	10	20	DGCD	
CN(C)[C@@H](CNC(=O)c1cc(O)cs1)c1ccc(Cl)cc1	746697457	VAGAAJBLIOZUNZ-ZDUSSCGKSA-N	324.833	3.140	10	20	DGCD	
COCCN(C)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	749350167	DJCAFDUEKVHVSR-UHFFFAOYSA-N	314.429	3.429	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CC[C@H](C2CCOCC2)C1	754783662	NUFHBTFNXFTLRU-INIZCTEOSA-N	312.413	3.189	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)CCc2ccco2)c1	756357801	PSFBNMXPKQVUFJ-OLZOCXBDSA-N	317.385	3.444	10	20	DGCD	
C[C@H](N[C@H]1CCCc2c1cnn2C)c1cc(F)cc(F)c1O	756402723	OFJXHUCIQTWUCA-XPTSAGLGSA-N	307.344	3.132	10	20	DGCD	
Cc1cccc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c1O	763453376	RLOGVCJDRKHPLY-PKOBYXMFSA-N	315.388	3.096	10	20	DGCD	
COC[C@H](CC(C)C)N[C@H](C)c1ccc(N2CCOCC2)cc1	765331702	TZGBPCWDUMFFFO-AEFFLSMTSA-N	320.477	3.235	10	20	DGCD	
CN(Cc1ccc2c(c1)OCCO2)Cc1c(O)cccc1Cl	768185505	YRKKQXJAMRRWLE-UHFFFAOYSA-N	319.788	3.449	10	20	DGCD	
Cc1nccn1CCCN(C)Cc1cc2c(cc1O)CCCC2	768461949	IAKRUVJDHQJXTO-UHFFFAOYSA-N	313.445	3.298	10	20	DGCD	
COc1ccc(N2CCC(NCc3cncc(C)c3)CC2)cc1	773125277	ZAWMMVDCOIRCED-UHFFFAOYSA-N	311.429	3.157	10	20	DGCD	
Cc1ccccc1CN1CCN(Cc2cccc(C)c2O)CC1	775646847	PAIMPSZRKBAJGZ-UHFFFAOYSA-N	310.441	3.327	10	20	DGCD	
O=C(CCCc1ccc(Cl)cc1)NCc1ccc(O)c(O)c1	778924761	ZZGMIXVLWBJFKW-UHFFFAOYSA-N	319.788	3.390	10	20	DGCD	
COc1c(N[C@H](C)c2ccc(N(C)C)cc2)cccc1C(N)=O	782785495	YQHTZLUHGQVSJL-GFCCVEGCSA-N	313.401	3.033	10	20	DGCD	
CCOc1ccc(CNCCc2ccc(F)c(F)c2)c(O)c1	786819304	QSDVCTQPTKTCIZ-UHFFFAOYSA-N	307.340	3.401	10	20	DGCD	
CC(C)C[C@@]1(CO)CCCN1Cc1ccc(N(C)C)c(F)c1	789592361	CHJBTWCBGVSAFG-GOSISDBHSA-N	308.441	3.265	10	20	DGCD	
Oc1ccc2c(c1)CN(Cc1c(O)ccc(Cl)c1F)CC2	792167347	OJSUCEJPCYZNJL-UHFFFAOYSA-N	307.752	3.449	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc(Cl)c1	808095314	XTHNIXJBPSZHPW-UHFFFAOYSA-N	324.804	3.390	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1CC(C)(C)CC1=O	808142383	PBRXBBMIMRXQNF-UHFFFAOYSA-N	317.477	3.179	10	20	DGCD	
COCc1nc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)cs1	810253657	ZONXRIMDJFNDKR-JOYOIKCWSA-N	322.405	3.472	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1	815108471	XGBYBSGBMDVEQU-NRFANRHFSA-N	324.468	3.456	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@]3(CCCN(C)C3)C2)cc1	815145337	RUCZZNZJJSYSJX-IBGZPJMESA-N	301.478	3.060	10	20	DGCD	
CC(C)OC[C@H]1CN(Cc2ccc3ccccc3c2O)CCO1	816571832	RRLKLKMPBRGECP-QGZVFWFLSA-N	315.413	3.171	10	20	DGCD	
CC[C@H](C)N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817923460	XUIJYFOUDAWTKO-NSHDSACASA-N	303.431	3.187	10	20	DGCD	
Cc1cccc2c1CC[C@@H]2NC[C@H](N)c1ccc(N(C)C)cc1	817938381	JQZDRKURRBBHRH-PMACEKPBSA-N	309.457	3.338	10	20	DGCD	
CCCOc1ccccc1NC[C@H](O)COc1ccccc1F	819398405	MGRPEUQSLMJGAS-AWEZNQCLSA-N	319.376	3.466	10	20	DGCD	
C[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C	827663156	ZDHGPNGLHUOQAF-OAHLLOKOSA-N	304.478	3.420	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C(=O)O)c2ccc(F)cc2)c1	833733372	FQISFHJADXDBRT-QLJPJBMISA-N	319.332	3.016	10	20	DGCD	
CCN1C(=O)/C(=C\c2c[nH]c(C(F)(F)F)c2)SC1=S	834398505	LXDUVXKTIYBMRD-XVNBXDOJSA-N	306.334	3.255	10	20	DGCD	
C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)c(Cl)cc1O	834907596	XGZDMWWHOFBXDW-HRDYMLBCSA-N	317.216	3.004	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C2CCN(OC)CC2)cc1F	835076697	UNTZKPSCQPZSOR-UHFFFAOYSA-N	323.456	3.130	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1cn(C)nc1C	840895337	XEUKTUVSURVOHA-GJZGRUSLSA-N	314.477	3.385	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(Cl)cc2O)cn1	841752864	QKQZANNTWGLDGV-JTQLQIEISA-N	319.792	3.250	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCCC[C@@H]1[C@H]1CCCN1	843047971	FSQDJFUDZIFOBW-HUUCEWRRSA-N	312.816	3.291	10	20	DGCD	
COCc1ccc(CN[C@@H](C)c2cccc(OC)c2O)cc1	846138270	JFDXCCFVVSZIBY-ZDUSSCGKSA-N	301.386	3.398	10	20	DGCD	
C[C@H](NC[C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O	850545595	QILOCBJKGJJWDP-JQWIXIFHSA-N	317.351	3.470	10	20	DGCD	
COc1ccc(N(Cc2onc(C)c2[N+](=O)[O-])C(C)C)cc1F	851835685	DQZYWNOZTKSGPX-UHFFFAOYSA-N	323.324	3.454	10	20	DGCD	
CC(C)c1nocc1C(=O)N(C)Cc1ccc(N(C)C)cc1	858199342	IXVUDCIIDVTSPG-UHFFFAOYSA-N	301.390	3.136	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3ccc(C)cc32)c1	858201170	IXKFZLSARMHWBJ-QGZVFWFLSA-N	310.397	3.496	10	20	DGCD	
COc1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1O	862367065	UQBKKGBUJXDICR-UHFFFAOYSA-N	322.355	3.035	10	20	DGCD	
COc1cccc(N2CC[C@H](NCc3ccc(C)cc3O)C2)c1	877005264	QJSLGJGAEHKZOD-INIZCTEOSA-N	312.413	3.078	10	20	DGCD	
CCOC(=O)C1CCC(NCc2ccc(OCC)cc2O)CC1	877717322	HUEYMAZWNHYGFY-UHFFFAOYSA-N	321.417	3.002	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3c[nH]cc3C3CC3)ccc21	878535016	OCSAOTAQUIUZEN-UHFFFAOYSA-N	309.413	3.205	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCc2cnoc2)c1C	880796294	APBHKHXWRMAMJF-UHFFFAOYSA-N	323.396	3.363	10	20	DGCD	
Cc1cccc2nc(CCN[C@H](C)c3c(O)cccc3F)cn12	886631279	IWIDIQLHRWCJAC-CYBMUJFWSA-N	313.376	3.381	10	20	DGCD	
Cc1ccc(CNCCn2nc(C(F)(F)F)cc2C)c(O)c1	896269595	ZEKZNTLTSORGPT-UHFFFAOYSA-N	313.323	3.014	10	20	DGCD	
CC(C)(C)CC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	900033911	ZQCTXGNQICBXLK-OAHLLOKOSA-N	305.418	3.381	10	20	DGCD	
Cc1cccc([C@@H](NCc2ccc3c(c2)CCCO3)C(=O)O)c1	904264705	OCDFGTFAXWWOIC-GOSISDBHSA-N	311.381	3.236	10	20	DGCD	
Cc1cccc(N(CC(C)(C)C)C(=O)/C=C\c2cn(C)cn2)n1	905878449	JCEXYCMANFYUML-KTKRTIGZSA-N	312.417	3.216	10	20	DGCD	
COC[C@H](N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21)[C@H]1CCCO1	1116853456	HBOPHCGCIYFFIE-KNCOVGOOSA-N	305.418	3.033	10	20	DGCD	
CC(C)c1cc(C(=O)Nc2c(Cl)ccc3nonc23)no1	1261140570	XEGKLALFTIKVJB-UHFFFAOYSA-N	306.709	3.240	10	20	DGCD	
C[C@H]1CCc2nc(NC(=O)NCc3ccccc3O)sc2C1	1318221945	YEYQETYABRKGNR-JTQLQIEISA-N	317.414	3.295	10	20	DGCD	
CC(=O)N1CCC[C@H](CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)C1	1321074684	SCAGKJCMAGBRHS-IMJJTQAJSA-N	316.445	3.097	10	20	DGCD	
CC[C@H](C)C[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1576972535	VWXBLBPIMJIDKM-KBXCAEBGSA-N	317.477	3.007	10	20	DGCD	
Cc1cc(CNCc2ccc(N(C)C)c(F)c2)ccc1C(=O)O	1600209739	UELIYUGMYQRHAY-UHFFFAOYSA-N	316.376	3.188	10	20	DGCD	
CCN1CCc2cc(CNc3nc(C)ccc3C(=O)O)ccc21	1776877996	IKQVBDSBABAHBK-UHFFFAOYSA-N	311.385	3.083	10	20	DGCD	
Cc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	17069730	OOYYXZGZYKSVSA-UHFFFAOYSA-N	311.429	3.403	10	20	DGCD	
Cc1noc([C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	91832652	NOJCAJMHGVPTBP-NSHDSACASA-N	307.781	3.117	10	20	DGCD	
C[C@@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O	93482718	SLONEWKVEHVKPV-BXKDBHETSA-N	304.217	3.434	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1(C)CCCS1	153259115	OZPRHWUZGXIZHQ-KRWDZBQOSA-N	321.490	3.180	10	20	DGCD	
CC[C@H](C)N(C)Cc1cc(Br)cc(OC)c1O	154555618	RLCSJBAFRYONOW-VIFPVBQESA-N	302.212	3.394	10	20	DGCD	
CCOc1cccc(CN(C)c2ccc3c(c2)OCO3)c1O	180759384	SVBWILLEUWZDLB-UHFFFAOYSA-N	301.342	3.156	10	20	DGCD	
CCS[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	180847489	RMWRRTTUYUTRDN-PMENNHOYSA-N	321.442	3.292	10	20	DGCD	
C[C@H](NCC1CCOCC1)c1ccc(Br)cc1O	185261521	ZOKDUBZSYGSZPC-JTQLQIEISA-N	314.223	3.232	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2scnc2C)c1	189006391	JAZALMAKLDZMRS-FGEFZZPRSA-N	318.398	3.056	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(SC)CC2)cc1F	190333761	PNNQHCMMGKDDAT-UHFFFAOYSA-N	310.438	3.184	10	20	DGCD	
CS[C@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	269818615	ISKOKTHEIZBHOK-CQSZACIVSA-N	323.506	3.424	10	20	DGCD	
CC(C)[C@@H](CNCc1ccc(N2CCCCC2)cc1)C(=O)O	272524741	WDGVJYMTPYAWBO-QGZVFWFLSA-N	304.434	3.123	10	20	DGCD	
Cc1ccc(O)c([C@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c1	273513176	SEAUXRPXSYDSMA-ZDUSSCGKSA-N	319.426	3.418	10	20	DGCD	
CCC[C@@](C)(O)CN[C@H](C)c1ccc(Br)cc1O	273622719	ZLXWWHWYYUSELM-QMTHXVAHSA-N	316.239	3.356	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(C)(F)F	297705308	RLNOPYDWVQGNGC-UHFFFAOYSA-N	313.392	3.329	10	20	DGCD	
CCC[C@H](C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	299524870	PUDLAIDMLLQWIY-INIZCTEOSA-N	318.461	3.308	10	20	DGCD	
CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2C)c1	315230130	GUKJIMQTCHOHNR-UHFFFAOYSA-N	319.382	3.094	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccc(N)cc1	382663018	JGJZGOUOXQMWJW-QGZVFWFLSA-N	309.457	3.365	10	20	DGCD	
CCN(CC)C(=O)C[C@H](C)NCc1c(C)c2ccccc2n1C	475188869	BTEGDDNVQLEJNK-AWEZNQCLSA-N	315.461	3.223	10	20	DGCD	
C[C@H](CN(C)Cc1cc2c(cc1O)OC[C@@H]2O)C1CCCCC1	530109160	WTVOKDWRFHKUPO-ACJLOTCBSA-N	319.445	3.466	10	20	DGCD	
CCc1nnc(C)cc1C(=O)NCc1c(C)c2ccccc2n1C	547772316	BEISUFMKBKXWFM-UHFFFAOYSA-N	322.412	3.078	10	20	DGCD	
CCc1nnc(-c2ccc(NC(=O)c3cc(O)cs3)cc2)o1	743806307	NSSIFKYURVWQLS-UHFFFAOYSA-N	315.354	3.318	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CC=CCC1	745780287	GYZJFOKJGXVLKN-CQSZACIVSA-N	314.429	3.427	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)C(=O)C(C)(C)C)cc2)CC1	746237519	NIXZSHDZWCIDED-UHFFFAOYSA-N	316.445	3.154	10	20	DGCD	
C[C@H](NCCOC[C@H]1CCCO1)c1ccc2ccccc2c1O	756582546	JUYVIBISBRNYOS-GOEBONIOSA-N	315.413	3.392	10	20	DGCD	
C[C@H](NCCOC[C@H]1CCCO1)c1cc2c(cc1O)CCCC2	756585100	XEFSVUYCFQHNFH-WMLDXEAASA-N	319.445	3.117	10	20	DGCD	
CCO[C@H](CC(=O)NCCCSc1nccs1)C(C)C	760586046	SJYNGVPQSQUGCW-GFCCVEGCSA-N	316.492	3.193	10	20	DGCD	
COc1ccc(CNC(=S)Nc2ccc(C)c(F)c2)nc1	766513039	WPSPAZDRZVNWLE-UHFFFAOYSA-N	305.378	3.024	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)Cc2cnn(C)c2)cc1F	768515370	CAMWETQOMIEWQO-AWEZNQCLSA-N	318.440	3.126	10	20	DGCD	
COC(=O)C1(N(C)Cc2cc(C)c(C)cc2O)CCCCC1	769402154	VXAJXRTYXFYSTL-UHFFFAOYSA-N	305.418	3.317	10	20	DGCD	
CCOc1ccc(O)c(CN(CC(=O)OC(C)(C)C)C(C)C)c1	769504321	UABWLEHFCOQJRW-UHFFFAOYSA-N	323.433	3.343	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)c1ccccn1	773886970	XJXJYVFCPDSEJS-HNNXBMFYSA-N	311.429	3.300	10	20	DGCD	
CC(C)[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1	775652576	NFRIEHWVLJZWLI-IBGZPJMESA-N	301.478	3.059	10	20	DGCD	
CCN1CCCN(Cc2cc(C)cc(C(C)(C)C)c2O)CC1=O	787232899	HZJSRFUSTUYJPD-UHFFFAOYSA-N	318.461	3.052	10	20	DGCD	
COCCOC[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1O	788666748	SKVZDPZAYFFOOF-GHMZBOCLSA-N	321.339	3.113	10	20	DGCD	
CN(C)c1ccc(CNCCc2ccc3c[nH]nc3c2)cc1F	790619870	UKZYMPNCIIQGNI-UHFFFAOYSA-N	312.392	3.100	10	20	DGCD	
CO[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(N(C)C)cc2C)C1	793512170	AHNVGFVNRSQUEC-CRAIPNDOSA-N	318.461	3.273	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccc(N(C)C)cc1	793857222	TXCBJVODGULNPB-KPZWWZAWSA-N	312.388	3.409	10	20	DGCD	
CCOc1cc(NCc2ccc(OC)cc2O)ccc1[N+](=O)[O-]	795284943	NXJBRTBHEJLRMS-UHFFFAOYSA-N	318.329	3.320	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)c2ccsc2)c1O	802394835	QKIVDAQYHPJJDX-SNVBAGLBSA-N	306.387	3.023	10	20	DGCD	
C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1	804870720	GUJGERKPGUURRU-ZETCQYMHSA-N	303.189	3.297	10	20	DGCD	
C[C@H]1C[C@H](NCc2ncccc2N(C)C)c2c(O)ccc(F)c21	810248895	IIBLLMRYDCJUGO-AAEUAGOBSA-N	315.392	3.330	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1snc(Cl)c1Cl	816889088	MAQCRFIFSBBOTI-UHFFFAOYSA-N	317.197	3.428	10	20	DGCD	
CC[C@@H](NC[C@H]1CCCNC1)c1ccc(C(F)(F)F)cc1O	817945800	MIFOOHYKRPMRNM-SMDDNHRTSA-N	316.367	3.451	10	20	DGCD	
Cc1cc(Br)cc(CNCCc2ccoc2)c1O	827229442	DPNBVHYKSXFFIF-UHFFFAOYSA-N	310.191	3.388	10	20	DGCD	
Cc1cc(CN2CC[C@H](CN(C)C)C2)ccc1N1CCCCC1	827813533	UDPPZQNGDYGSHO-LJQANCHMSA-N	315.505	3.369	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1c(C)noc1C)CCC2	839653753	DTPVQLDGSSUDSF-UHFFFAOYSA-N	302.374	3.261	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1C[C@@H](C)[C@@H](C)C1=O	839969693	LTGUHWGPDUAFAO-HZPDHXFCSA-N	317.477	3.035	10	20	DGCD	
O=C1CC[C@@H](c2cccc(N[C@H]3CCc4cccc(O)c43)c2)N1	840883055	CVTNVSCQQIWZOT-HOTGVXAUSA-N	308.381	3.443	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)CCn1cccn1	840892674	BYEPPPFKAOFBDT-IAGOWNOFSA-N	314.477	3.257	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@@H](C)c2ccc(Cl)cc2O)c1	841765018	TUMPNTDOZSOLEH-GTNSWQLSSA-N	321.804	3.438	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCCC[C@@H]2C(=O)O)cc1F	843306475	RRJJVFQJYJXUFY-GOEBONIOSA-N	322.424	3.405	10	20	DGCD	
CCCOc1ccc(CN[C@H](C)c2cccc(OC)c2O)cn1	846147067	SGOOWUYEMYWILZ-CYBMUJFWSA-N	316.401	3.435	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)[C@@H](O)Cc2ccccc2)c1O	846157209	SAZTWQUGVAYBPN-VBQJREDUSA-N	315.413	3.044	10	20	DGCD	
Cc1cc(CN2CC[C@@](C)(C(=O)O)C2)ccc1N1CCCCC1	846275084	MQBUSXMAKJLJHV-LJQANCHMSA-N	316.445	3.282	10	20	DGCD	
C/C(=C/c1ccco1)C(=O)NCCCSc1nccs1	847487696	IAJSNSPLWKJVQM-KHPPLWFESA-N	308.428	3.438	10	20	DGCD	
CCN(C(=O)/C=C/c1cnc(C(C)(C)C)s1)c1cnn(C)c1	848342515	NMAIOHIEFIDOSQ-BQYQJAHWSA-N	318.446	3.240	10	20	DGCD	
CCc1cccc(CN2CCCC3(CCN(C)CC3)C2)c1O	848908096	NIKUHWGZOLFBDO-UHFFFAOYSA-N	302.462	3.262	10	20	DGCD	
COc1cc(CNCCc2cscn2)c(O)c(C(C)(C)C)c1	850146257	VHLKVOJNPNQGIX-UHFFFAOYSA-N	320.458	3.487	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)CN2CCC(C)CC2)c(O)c1	850387549	UNUXTYBGJMMMTO-HNNXBMFYSA-N	306.450	3.001	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H]2CCCN(CC3CC3)C2)c1O	853239254	CVWNBAXPMOPASN-ZBFHGGJFSA-N	318.461	3.173	10	20	DGCD	
CC1(C)C[C@@]1(C)NC(=O)NCc1ccc(N2CCCC2)cc1	853412123	UFRCHNTUNGWIGH-GOSISDBHSA-N	301.434	3.275	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CCOC[C@H]2OCC)cc1C	873103543	FVYYUIYYYKLAKU-FUHWJXTLSA-N	307.434	3.067	10	20	DGCD	
COc1ccccc1OCCCNCc1ccc(C)cc1O	877010679	HDSNCKPUNHMJNS-UHFFFAOYSA-N	301.386	3.268	10	20	DGCD	
COC(=O)C(C)(C)[C@H]1CCCN(Cc2c(C)cccc2O)C1	877175043	XFOIXEQUCBVPJL-AWEZNQCLSA-N	305.418	3.112	10	20	DGCD	
Cc1cccc(O)c1CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1	877478509	NHCDHLLDZISZHA-UKRRQHHQSA-N	320.433	3.046	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)Cc2ccnc(OC)c2)c1	877533380	NUYUBUJZRBDJFH-OLZOCXBDSA-N	316.401	3.086	10	20	DGCD	
C[C@@H](NCCn1ccc(C(F)(F)F)n1)c1c(O)cccc1F	886649464	BFVRFUQWVJRQCU-SECBINFHSA-N	317.286	3.097	10	20	DGCD	
COc1ccc(CN2CCc3cccc(F)c32)c(O)c1OC	894497536	ZUUMVKKHQNRNQC-UHFFFAOYSA-N	303.333	3.111	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@@H]1CCCN1CC(F)(F)F	922708331	JABPNFKYVMMSLJ-LBPRGKRZSA-N	322.758	3.162	10	20	DGCD	
COc1ccc(CNCCNC(=O)C(F)=C2CCCC2)cc1C	1125654191	BECNVWANASUAQN-UHFFFAOYSA-N	320.408	3.007	10	20	DGCD	
c1ccc2c(c1)CCN2CCNCc1ccc(N2CCCC2)cc1	1318339954	CXBSGKFPUIURCS-UHFFFAOYSA-N	321.468	3.439	10	20	DGCD	
CCOc1ccc2c(c1)CN(Cc1c(O)cccc1OC)CC2	1341555204	ZSUZOTVYHDUIAQ-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
O=C(NCc1c(O)ccc2ccccc12)c1cccc2c1CCN2	1580708411	PQMOUGIDOBBTRM-UHFFFAOYSA-N	318.376	3.443	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2cccc(OCC(=O)O)c2)c1	1600464779	KERCWVUZZAHDLD-ZDUSSCGKSA-N	315.369	3.015	10	20	DGCD	
CC[C@H](NCc1cc[nH]n1)c1cc(Br)ccc1O	41014217	XSMTVYCILCFKGP-LBPRGKRZSA-N	310.195	3.119	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1	90802144	PMPCZLFWXMCKFL-MJGOQNOKSA-N	324.472	3.467	10	20	DGCD	
CCOc1cccc(CN(C)Cc2ccc(OC)c(O)c2)c1O	92404968	LCWRBJCNRAZFBW-UHFFFAOYSA-N	317.385	3.137	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(SC)o2)c1	112393760	SXPGPKIYWPWMPU-SECBINFHSA-N	307.371	3.207	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)ccc1F	115281117	MSCDURWLROXNPQ-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccs1	115642247	MADLLISCHDCPCY-UHFFFAOYSA-N	303.431	3.122	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@]3(CCOC3)C2)cc1	154573505	JGPAKUUMXHFOGB-FQEVSTJZSA-N	324.424	3.347	10	20	DGCD	
C[C@H]1CCc2sc(C(=O)NCc3ccc(O)c(O)c3)cc2C1	158942867	DVCCVLBWMCIVEM-JTQLQIEISA-N	317.410	3.214	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1CCCC1	177741307	VHIFECKGDZQYKJ-UHFFFAOYSA-N	324.490	3.095	10	20	DGCD	
O=C(CCC1CCCC1)N1CCN(Cc2ccccc2O)CC1	179556889	MGONYDMNCOUBDS-UHFFFAOYSA-N	316.445	3.007	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn(CC(C)C)c1	183259737	SHSUORVYVPAQAM-UHFFFAOYSA-N	315.417	3.297	10	20	DGCD	
C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Br)ccc1O	185459925	KTJMBRDWEDEEGR-FUPATZSFSA-N	312.207	3.125	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c1	185468431	RFLODBQJAXSQFW-PZROIBLQSA-N	319.376	3.313	10	20	DGCD	
CC1(C)CO[C@H](c2ccccc2)CN1C(=O)Cc1ccc(N)cc1	236644771	FWGPUJGUJXZXRF-SFHVURJKSA-N	324.424	3.190	10	20	DGCD	
CCN1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1C	250384746	XJXMFBHPXMXQQO-SNVBAGLBSA-N	303.233	3.225	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H](O)c1cccc(F)c1)c1cc(F)ccc1O	273533279	WUXVQHMWWYFPGO-WVQJBOLRSA-N	307.340	3.443	10	20	DGCD	
CCc1cncc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1	279252692	PNLNEWBMRXOEGI-UHFFFAOYSA-N	311.429	3.372	10	20	DGCD	
COc1ccc([C@H](O)CN[C@@H](C)c2c(C)cc(C)cc2O)cc1	284113302	NLTAPMWYVQCQRN-KBXCAEBGSA-N	315.413	3.402	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCC[C@@H]2c2cc[nH]n2)c1	289567832	SFSUZGSQTBHARX-MRXNPFEDSA-N	301.390	3.241	10	20	DGCD	
COc1ncc(CN[C@H]2CCc3cccc(O)c32)cc1Cl	296589159	UVXDOGPUKJOHIN-ZDUSSCGKSA-N	304.777	3.226	10	20	DGCD	
CNC(=O)c1ccc(NCc2cc(Cl)cc(OC)c2O)cc1	317327490	DJXRURSVNXLMHR-UHFFFAOYSA-N	320.776	3.026	10	20	DGCD	
O=C(O)[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1	321486474	RWRNIAHMUSECMH-GOSISDBHSA-N	310.397	3.202	10	20	DGCD	
Cc1c(CNC(=O)CCC2CCOCC2)n(C)c2ccccc12	348696149	BZJDRUYHWNZACG-UHFFFAOYSA-N	314.429	3.310	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cc(C)on2)c1O	362847823	QPIIZVNIXPASTB-INIZCTEOSA-N	318.348	3.367	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)C[C@H]3CC[C@H]2C3)c1	528863399	WBXVUAGONIUKJW-OXRQTFEDSA-N	303.402	3.404	10	20	DGCD	
Oc1cc(Br)ccc1CNCCC[C@@H]1CCOC1	691405428	UNUXHTVQYFPQAI-LLVKDONJSA-N	314.223	3.061	10	20	DGCD	
COC[C@@H](C)CC(=O)N(Cc1ccco1)Cc1ccccc1O	755811472	YWGMCTCDURZPOC-AWEZNQCLSA-N	317.385	3.187	10	20	DGCD	
CCOc1cc(C)ccc1CNC(=O)NCc1ccccc1O	756968922	DSOQVGGZPAXIPL-UHFFFAOYSA-N	314.385	3.099	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(OC)c(C)c1	757798978	GLTZAKFPLVTACX-MAUKXSAKSA-N	305.418	3.215	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccc(O)cc1	760879178	BVSALAUQJVRTMF-UHFFFAOYSA-N	312.413	3.016	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCSC2)cc1F	762176566	CDLNSYQFRLYWBX-ZDUSSCGKSA-N	310.438	3.041	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCCc2nc(C)no2)cc1	763480765	MDEAYLZOWSQAHO-UHFFFAOYSA-N	316.449	3.289	10	20	DGCD	
CCOc1ccc(CN(C)[C@@H]2CCN(CC)[C@@H](C)C2)c(O)c1	769470747	OTNBYTGUMINLNU-GOEBONIOSA-N	306.450	3.096	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccccc1F)c1ccc(N(C)C)cc1	773019346	KVNAYOUPGZGWFC-CYBMUJFWSA-N	300.377	3.312	10	20	DGCD	
C[C@H](NC(=O)CC[C@@H]1CCCCO1)c1ccc(N(C)C)cc1	773028406	ZJEBGSAXKVDEAT-YOEHRIQHSA-N	304.434	3.279	10	20	DGCD	
CCN(C)c1ccc(CN(C)CCC(=O)OC(C)(C)C)cc1	773767175	YJPIRKJCOKJQOM-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2cc(C)cc(F)c2)c1O	774937272	WYBSOQCWCSRTGD-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
CC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cc(Cl)ccc1O	775496609	KNDDVHKJZNWWDG-GWCFXTLKSA-N	312.841	3.390	10	20	DGCD	
C[C@H](NCc1cn(C)nc1C(F)F)c1ccc(N(C)C)cc1	775833008	FFXBBHYICJEMDF-NSHDSACASA-N	308.376	3.275	10	20	DGCD	
CCC[C@H](C)c1cc(NC(=O)c2c(F)ccc(O)c2O)n[nH]1	790071254	SBGJCHMMKYZQEZ-QMMMGPOBSA-N	307.325	3.116	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCOC1	793134594	UOPSMDWJCNLRBN-QGZVFWFLSA-N	318.461	3.306	10	20	DGCD	
CN(C)c1ccc(CN2CCOc3cccc(F)c3C2)cc1	801584052	YVKPZXNFJWHBPR-UHFFFAOYSA-N	300.377	3.286	10	20	DGCD	
CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1cc(OC)ccc1O	807961728	CBABUHGVOFMNEL-SECBINFHSA-N	320.349	3.007	10	20	DGCD	
c1ccc(CN2CCc3cc(CN4CCCOCC4)ccc32)cc1	809550972	YMXQHBHFDKAQCZ-UHFFFAOYSA-N	322.452	3.472	10	20	DGCD	
CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1O	810318087	OXCZTCIWGYDFNS-UHFFFAOYSA-N	315.329	3.185	10	20	DGCD	
COc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccn1	819998977	LXKUMOMPFKYCCP-UHFFFAOYSA-N	322.368	3.145	10	20	DGCD	
C[C@H]1CSC[C@H]1NCc1ccc(N2CCSCC2)cc1	823665847	AWEJGEHDJQMMDD-XJKSGUPXSA-N	308.516	3.081	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(Br)cc2O)c2nccn21	826084167	WMJUIHHGCBJWQV-CABZTGNLSA-N	322.206	3.147	10	20	DGCD	
C[C@@H](NC(=O)[C@]1(c2ccccc2)CCCO1)c1ccccc1O	828539913	WGFCYMFSIIEQKG-AUUYWEPGSA-N	311.381	3.275	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2=CCCCC2)c1	836521576	YDNWVNPMFGUNJE-LBPRGKRZSA-N	304.390	3.261	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)c1cccc(F)c1	840933788	SUPITOFSDMEFEN-SFHVURJKSA-N	302.393	3.023	10	20	DGCD	
CS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1	844775272	SROLSKCAXVWLTF-HZPDHXFCSA-N	321.490	3.226	10	20	DGCD	
CCOC(=O)N(C)C1CCN(Cc2cccc(CC)c2O)CC1	848886050	QVJZVRMYAZTBCG-UHFFFAOYSA-N	320.433	3.007	10	20	DGCD	
CCc1cccc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c1O	848904016	ITQFWZPTDZSIMJ-HXUWFJFHSA-N	322.408	3.050	10	20	DGCD	
CCc1cccc(CN(CC)CC(=O)N2CCCCCC2)c1O	848910661	MBQPLMPVIUEGNG-UHFFFAOYSA-N	318.461	3.179	10	20	DGCD	
C[C@H](NC[C@@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2	850544676	IKGAPNINGDSPRT-ZFWWWQNUSA-N	303.446	3.330	10	20	DGCD	
Cc1sc(NC(=O)c2c(F)ccc(O)c2O)nc1C(C)C	857302429	QVZOCEHEXXQOIJ-UHFFFAOYSA-N	310.350	3.378	10	20	DGCD	
COc1cc(Cl)c(F)c(C(=O)NCc2ccccc2O)c1	857471485	AJRHVBGLKBCCLA-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	859420461	YDTBFVIMAJNPMU-XUVXKRRUSA-N	320.436	3.263	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)CC(C)(C)O3)c1	862754767	JFXCOEOUQKJNGJ-UHFFFAOYSA-N	311.381	3.344	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H](O)Cc1cccc(Cl)c1)CC2	872129181	VWBJZZHCAPSVRS-HZPDHXFCSA-N	317.816	3.226	10	20	DGCD	
C[C@@H](NC(=O)NCCOC1CCCCC1)c1ccccc1O	875131850	SVOGCJJCAKYDCX-CYBMUJFWSA-N	306.406	3.102	10	20	DGCD	
COc1ccc(CN[C@H]2CCc3cc(C)ccc32)c(O)c1OC	892680649	QUXVXHOIYCPLNE-INIZCTEOSA-N	313.397	3.495	10	20	DGCD	
O=C(O)C[C@@H](NCc1ccc2c(c1)CCCO2)C1CCCC1	900044862	AVAOMDCYUQZINY-MRXNPFEDSA-N	303.402	3.135	10	20	DGCD	
CN(C)c1ccc(/C=C\CN2CCCCC[C@@H]2C(=O)O)cc1	902039143	LZIMDSFVXSBGSC-JTGQJZMRSA-N	302.418	3.095	10	20	DGCD	
Cc1cccc(SCC(=O)NCc2ccc(N(C)C)cc2)c1	921265167	ROCWLZSGSUBMOY-UHFFFAOYSA-N	314.454	3.470	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C2CC2)nn1C	934706208	HMLWREZMLRCRLN-UHFFFAOYSA-N	313.401	3.056	10	20	DGCD	
O=C(O)[C@@H](CC1CC1)NCc1cc(Cl)cc(Cl)c1O	1261889958	PLCWGTWJGZGIEN-LLVKDONJSA-N	304.173	3.042	10	20	DGCD	
C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)n1cccc1	1319829875	GRJMNTYWSHNCQQ-OAHLLOKOSA-N	311.429	3.306	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CN(C2CC2)C[C@@H]1C	1320411751	SZMYEUKPIFDJQU-VRKREXBASA-N	300.446	3.321	10	20	DGCD	
COC1(CN[C@@H](C)c2cc(C(=O)O)ccc2O)CCC(C)CC1	1599091182	LETPRSHPOQLEPO-XYEKJYRLSA-N	321.417	3.336	10	20	DGCD	
CC(C)(C)C[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)O	1603328021	SSAFPCVDLXASQZ-LLVKDONJSA-N	303.761	3.164	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2cccc(-c3nn[nH]n3)c2)cc1	1603363681	GBPISKUOCZCEJA-UHFFFAOYSA-N	323.400	3.290	10	20	DGCD	
COc1ccc(N(CCC2OCCO2)Cc2ccccc2)cc1	124756400	VFCBKUDZECZDCG-UHFFFAOYSA-N	313.397	3.465	10	20	DGCD	
CCOc1ccc(O)c([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c1	153686218	FTOWDQLPNTZLKY-QGZVFWFLSA-N	312.369	3.296	10	20	DGCD	
CC(C)(C(=O)NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1	159005022	UCYXIOAKMKAJBO-UHFFFAOYSA-N	319.788	3.345	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)C[C@@H]2C)cc1	179547640	MMBPZBSXESNPTN-KSSFIOAISA-N	316.445	3.154	10	20	DGCD	
CC[C@H](CSC)NC(=O)NCc1ccc(N2CCCC2)cc1	180803124	BOUWJJQRWYAZRT-OAHLLOKOSA-N	321.490	3.228	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(Cl)ccc1O	185866176	AHXSJIHKBYBVOR-SNVBAGLBSA-N	323.824	3.201	10	20	DGCD	
C[C@@H](Nc1cnn(CC(F)F)c1)c1ccc(F)c(F)c1O	187867815	QXDQAMBZQONAOP-SSDOTTSWSA-N	303.259	3.305	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1c(F)cccc1F	190916695	RLBUWGQWHMKWIN-SECBINFHSA-N	322.311	3.129	10	20	DGCD	
O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(O)cc1	192592337	WVSOBMDCAFPBND-GXDHUFHOSA-N	302.399	3.285	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)ccc1O)NC(=O)OC(C)(C)C	192685243	AGSLPRGKWNAAQV-JTQLQIEISA-N	314.813	3.048	10	20	DGCD	
CC[C@@H](NCCC[C@H](C)O)c1cc(Br)ccc1O	228036710	FHDJGJNZXBPNMF-GXFFZTMASA-N	316.239	3.356	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1O	246550750	YPSFFKJFFRIPSM-OSFYFWSMSA-N	318.417	3.025	10	20	DGCD	
CCC[C@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	265978012	WGQDMBPBTCUCMR-HNNXBMFYSA-N	301.434	3.393	10	20	DGCD	
C[C@H](NCC1([C@H](C)CCO)CCC1)c1cc([N+](=O)[O-])ccc1O	273501949	QFLRMNIPQGJKTF-OLZOCXBDSA-N	322.405	3.140	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1ccncc1C	282388241	DGDDQNPIABGLIV-UHFFFAOYSA-N	312.413	3.467	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1C	284973609	BGVXZOLHVVJXAO-HNNXBMFYSA-N	317.351	3.288	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@H](C)c2c(C)cc(C)cc2O)cn1	285400630	XDRMGQDRQULCHZ-CYBMUJFWSA-N	313.401	3.213	10	20	DGCD	
CCOc1cccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O	290997445	APVCVKMNYHFJHF-RDJZCZTQSA-N	305.418	3.180	10	20	DGCD	
CO[C@H](C)CCNCc1ccc(OCc2ccccc2)cc1O	295068244	QVBYUEBSIANOET-OAHLLOKOSA-N	315.413	3.486	10	20	DGCD	
Oc1ccc(Br)cc1CN[C@@H]1CCC(F)(F)C1	310196866	ZGKDRESCRQYBGI-SNVBAGLBSA-N	306.150	3.432	10	20	DGCD	
CCOC[C@@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O	313461561	OOUDYYFKFZXXTP-AWEZNQCLSA-N	313.825	3.445	10	20	DGCD	
Cc1c(CNC(=O)c2ccc3nc[nH]c3c2)n(C)c2ccccc12	352937877	AUQQIPZNGXAWDL-UHFFFAOYSA-N	318.380	3.293	10	20	DGCD	
CC1(CNCc2c(O)cccc2Br)CCOCC1	706871985	VCGUAFWTGKYTOH-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
COC(=O)C[C@@H]1CCCCN1Cc1c(O)ccc2ccccc12	726588145	LRAIONLPPBXCDF-HNNXBMFYSA-N	313.397	3.463	10	20	DGCD	
C[C@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728196878	PXCRECPCJSIPIV-ZDUSSCGKSA-N	311.381	3.171	10	20	DGCD	
CCCN(CCC)C(=O)CN(CC)c1ccc(OC)c(OC)c1	729473478	GMQBBDZYDOIEHX-UHFFFAOYSA-N	322.449	3.179	10	20	DGCD	
C[C@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N2CCCC2)cc1	740906136	AMGQYMLMQSEYIH-CABCVRRESA-N	301.434	3.227	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C(F)(F)F	742589538	QCTJLXLMYZSCLW-GFCCVEGCSA-N	314.351	3.492	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCC(F)(F)F	743708423	CWVDYTJXUUFECL-UHFFFAOYSA-N	317.355	3.203	10	20	DGCD	
COc1ccc(N(C)CCc2ccc3c(c2)CCO3)c(OC)c1	752124218	YMSMEQQMISUIMK-UHFFFAOYSA-N	313.397	3.318	10	20	DGCD	
COC(=O)c1ccc2c(c1)CN(Cc1cc(C)cc(C)c1O)C2	754727464	XHNJMKSLFNKSPD-UHFFFAOYSA-N	311.381	3.311	10	20	DGCD	
O=C(O)CCCCCCNCc1c(O)ccc(Cl)c1F	756280630	CLBCYWCZHCPDOE-UHFFFAOYSA-N	303.761	3.309	10	20	DGCD	
C[C@@H](CCCO)N[C@@H](C)c1cc(Br)c(F)cc1O	756647994	VFWMNSJZZUZZMC-IUCAKERBSA-N	320.202	3.105	10	20	DGCD	
CO[C@H](CN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21)C(F)(F)F	756835478	MTYWDSQPRBUXOH-POZPLHJXSA-N	307.287	3.247	10	20	DGCD	
CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1	756923026	BJZVCEDHPLZANT-MSOLQXFVSA-N	316.445	3.251	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@H](C)c1ccc(N(C)CC)cc1	764944396	KAXORARBRNYERM-MRXNPFEDSA-N	319.493	3.442	10	20	DGCD	
COc1cccc(CN2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)c1O	768913687	PGUJOTPLZKHFEI-ZOBUZTSGSA-N	318.461	3.238	10	20	DGCD	
CC(C)N(C)CC1CCN(Cc2ccc(N(C)C)cc2)CC1	768926007	HRFADJCFYWFTMU-UHFFFAOYSA-N	303.494	3.305	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1cccc(F)c1F	772774777	KTHMSGLEWBUHKJ-ALCCZGGFSA-N	306.264	3.133	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCS1	773613057	OUMHCXIILIBUOL-XJKSGUPXSA-N	321.490	3.351	10	20	DGCD	
CC[C@@H](NCCOC[C@@H]1CCCO1)c1cc(Cl)ccc1O	775507391	MCIYJUZOTLDZIB-DZGCQCFKSA-N	313.825	3.282	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@@]1(O)CCc2ccccc21	776253944	XSYRUPKYNUSZON-KRWDZBQOSA-N	321.779	3.108	10	20	DGCD	
CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(O)c2O)c1	776323701	PXMYFQZLJJXMRA-UHFFFAOYSA-N	301.342	3.353	10	20	DGCD	
CC(C)[C@@](C)(O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792990193	QZIZTNDHEBBQDH-HNNXBMFYSA-N	318.383	3.268	10	20	DGCD	
CC[C@@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccc(C)cc1O	794811619	SLUOFBOARFAUMS-OAHLLOKOSA-N	320.433	3.361	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(F)cc2C)c(O)c1	797607763	ALAHJOKHVOXPFJ-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
C[C@H]1CCC[C@@H]1CNC(=O)NCCCSc1nccs1	798437523	JPLPTNBBEDUNRK-NWDGAFQWSA-N	313.492	3.361	10	20	DGCD	
CC[C@@H](N[C@H]1CCn2ccnc2C1)c1cccc(Cl)c1O	806159998	DAOMWNQNGNLLSG-SMDDNHRTSA-N	305.809	3.298	10	20	DGCD	
COC1(CN[C@@H](C)c2cc(Cl)cc(C)c2O)CCOCC1	808708388	LPFNKOJORLKNQZ-LBPRGKRZSA-N	313.825	3.200	10	20	DGCD	
Cc1noc([C@H]2CCCN2Cc2cc(Cl)cc(F)c2O)n1	809721326	QDBHKTITLXSEKW-GFCCVEGCSA-N	311.744	3.213	10	20	DGCD	
C[C@H](CCn1cccn1)NCc1cc(Cl)cc(Cl)c1O	809775614	FZWRZCRJUYHMHA-SNVBAGLBSA-N	314.216	3.464	10	20	DGCD	
Cc1cc(CN(C)CC[C@H]2CCCCN2C)ccc1N(C)C	815054066	FXDHSKIVYHPQKP-GOSISDBHSA-N	303.494	3.367	10	20	DGCD	
Cc1ccc(F)c(CC(=O)NCc2ccc(N(C)C)cc2C)c1	825873796	ORBXTYKVTGIZDE-UHFFFAOYSA-N	314.404	3.367	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1cccc(CC)c1O	827751516	VVXSSGNSPDTBNW-MAUKXSAKSA-N	305.418	3.166	10	20	DGCD	
Nc1ccc(CC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	831133197	SSSNOMDGOBHQKT-CHWSQXEVSA-N	314.351	3.296	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCC(CC(F)(F)F)CC1	831543495	IJQHQHWTNGRKSS-UHFFFAOYSA-N	321.270	3.042	10	20	DGCD	
C[C@@H](CCc1ccsc1)NC[C@@H](N)c1ccc(N(C)C)cc1	841046136	WWMNZHAFQCMIFE-KBXCAEBGSA-N	317.502	3.425	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H]1CCCn2ccnc21	848554338	YROQALIMEGJDPL-CRAIPNDOSA-N	312.461	3.313	10	20	DGCD	
C[C@@H](Nc1cccc2c1OCC2)c1cc([N+](=O)[O-])ccc1O	858477197	HJHWSNSOVFFZKA-SNVBAGLBSA-N	300.314	3.408	10	20	DGCD	
CN(C)c1cc(F)c(CNc2nnc(C(F)F)s2)cc1F	865289490	MNEGEOSUIOAMBT-UHFFFAOYSA-N	320.315	3.432	10	20	DGCD	
CN(C)c1ccc(CN(c2cc(Cl)nnc2O)C2CC2)cc1	872417243	QPNHHQOCSXXBQY-UHFFFAOYSA-N	318.808	3.071	10	20	DGCD	
Cc1cccc(O)c1CNc1cccc(-c2nnnn2C2CC2)c1	876839226	RNQGNZXMZHKCBS-UHFFFAOYSA-N	321.384	3.301	10	20	DGCD	
CC[C@H](CNCc1c(C)cccc1O)NC(=O)OC(C)(C)C	877561891	MTZFRJHDPZVXSL-CYBMUJFWSA-N	308.422	3.094	10	20	DGCD	
COc1ccc(CN[C@@H]2CCCO[C@@H]2CC(C)C)c(O)c1OC	893684933	IEVXLIBNQFRTAQ-GDBMZVCRSA-N	323.433	3.093	10	20	DGCD	
CCC[C@@](C)(NCc1ccc(N2CCCC2)cc1)C(=O)OC	1320227942	ILFZXGPPJNRDBZ-GOSISDBHSA-N	304.434	3.108	10	20	DGCD	
CCCCC[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC	1320795129	QACBVPVLTRZQAU-GOSISDBHSA-N	318.461	3.498	10	20	DGCD	
Cc1ccc(/C=C/C(=O)Nc2c(Cl)ccc3nonc23)cn1	1325345193	LGSJUWIROOTGMI-QPJJXVBHSA-N	314.732	3.232	10	20	DGCD	
CC(C)c1nnc(COc2ccc(N(C)C)c(C(=O)O)c2)s1	1592061099	KNTZKZFHWILGGF-UHFFFAOYSA-N	321.402	3.005	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ncc(C(=O)O)cc2Cl)c1	1599598972	XTJJEQPZOXLUEF-QMMMGPOBSA-N	322.748	3.321	10	20	DGCD	
Cc1cc([C@@H](NCc2cccc(C)c2O)C(=O)O)ccc1F	1600150402	SMYBMCNKIDUUEM-OAHLLOKOSA-N	303.333	3.064	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccnc(C(F)(F)F)c1	1610579025	WUNWXYAEJFDJAI-UHFFFAOYSA-N	301.220	3.279	10	20	DGCD	
CCN(CC)c1ccc(CNCCC2(C(=O)O)CCC2)cc1F	1776860902	ALBZPVQBXYHBEU-UHFFFAOYSA-N	322.424	3.407	10	20	DGCD	
CN(Cc1c(O)ccc2oc3c(c12)CCCC3)[C@H]1CCOC1	106858097	FSECKKCKMCOGPK-LBPRGKRZSA-N	301.386	3.238	10	20	DGCD	
Cc1ccc(N2CC[C@H](N[C@H](C)c3ccccc3O)C2=O)cc1	179875702	UMNDPUDODBTSCB-PBHICJAKSA-N	310.397	3.157	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1Cc2ccccc21	115807408	DMRIWLFXIUZBKJ-QGZVFWFLSA-N	323.440	3.200	10	20	DGCD	
O=C(CCC1CCOCC1)NCc1ccc(N2CCCC2)cc1	173466203	BOHVRKPBTFRNES-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
Oc1ccc(CCNc2cc(Cl)nc(C3CC3)n2)cc1O	301984554	YRHAEBLVUZBZQR-UHFFFAOYSA-N	305.765	3.073	10	20	DGCD	
CCOc1ccc(O)c(CN(C)C[C@@H](C)c2nccs2)c1	183253821	IQWPHGNFWVDPHS-GFCCVEGCSA-N	306.431	3.483	10	20	DGCD	
C[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(O)c(O)c1	122181291	GZKBEQXGDIEUJW-ZDUSSCGKSA-N	305.418	3.363	10	20	DGCD	
CCOC(C)(C)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	188682879	WQJKWULAUMRYBR-AWEZNQCLSA-N	324.440	3.128	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@H](C)c1ccc2ccccc2c1O	186354131	GQZNHSFGPPCDMZ-CYBMUJFWSA-N	314.429	3.358	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC1CCOCC1	194974002	DDQWDNRGXPZLCV-UHFFFAOYSA-N	318.442	3.312	10	20	DGCD	
C[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	190038317	HJBWEDGEACTLQP-KGLIPLIRSA-N	321.465	3.316	10	20	DGCD	
CCC(CC)(CNC(=O)N(C)Cc1ccccc1O)SC	266853828	ZXZDBRQFDLLMKE-UHFFFAOYSA-N	310.463	3.455	10	20	DGCD	
CC[C@@H](N[C@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1O	367567674	UZJORKSKAPNKGF-SMDDNHRTSA-N	305.809	3.367	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2cccc(C(=O)NC3CC3)c2)c1	273574694	LNSOIZWPHKRLDC-AWEZNQCLSA-N	324.424	3.444	10	20	DGCD	
Cc1cc(C(=O)Nc2nncn2C2CC2)c(C)n1-c1ccccc1	285701844	HNQCVCDFRQXVST-UHFFFAOYSA-N	321.384	3.273	10	20	DGCD	
CC[C@@H](c1ccccc1O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	294789023	LTLJENPKHTXRSF-UXLLHSPISA-N	324.424	3.124	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1O	290347222	FWECSNNYSJKZMH-USXIJHARSA-N	315.800	3.482	10	20	DGCD	
COc1ccc2nc(NCCc3ccc(O)c(O)c3)ccc2c1	811811459	VCCXRXUYBLOORN-UHFFFAOYSA-N	310.353	3.309	10	20	DGCD	
CC[C@@H](NC[C@H]1CC[C@H](C(N)=O)CC1)c1cc(Cl)ccc1O	817586536	PIXGJIJTRATKEB-LALPHHSUSA-N	324.852	3.378	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2c(O)n[nH]c2C)c1C	816740961	RXZUBRSENGVKSW-UHFFFAOYSA-N	324.384	3.392	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1	811803031	GRJQAYUEYBBFSC-OAHLLOKOSA-N	305.809	3.306	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCCC(=O)C2)c1	813489251	UCNVTBKZULUWMO-QWHCGFSZSA-N	319.401	3.118	10	20	DGCD	
C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1(F)F	817525725	UEXKGWPGSYOMPN-MRXNPFEDSA-N	308.372	3.338	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1	817938170	GABVGLMDLRQUFL-XIKOKIGWSA-N	319.399	3.381	10	20	DGCD	
Cc1nnc(CN(C)Cc2cc(Cl)cc(Cl)c2O)o1	827039531	XYWNAAMYOBCWEC-UHFFFAOYSA-N	302.161	3.022	10	20	DGCD	
OC[C@H](C1CC1)[C@@H](NCc1cc(Cl)c(F)cc1O)C1CC1	824844794	CTYJYECXPKGJCG-WBMJQRKESA-N	313.800	3.071	10	20	DGCD	
C[C@H]1CN(C)c2ccccc2N(C(=O)c2cc(O)cs2)C1	828732779	WKGFGXZBTROHHK-NSHDSACASA-N	302.399	3.186	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C)C[C@@H]2C(=O)O)cc1	902015887	JPGRTQXODBQAEB-RHSMWYFYSA-N	304.434	3.218	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CSC(F)F	839921878	LKVUIQDISNPSSW-LLVKDONJSA-N	316.417	3.064	10	20	DGCD	
CCOCC(C)(C)NCc1ccc(N2CCC(OC)CC2)cc1	830022356	CTHKARJPAIJZHU-UHFFFAOYSA-N	320.477	3.207	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1	831165804	NCFKTAATLTVXCS-QRVBRYPASA-N	302.462	3.268	10	20	DGCD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccccc2O)o1	748458803	CLBLTRFJORUFKX-SMDDNHRTSA-N	300.358	3.108	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	849230163	CGBKMBUSHVGMOX-KDOFPFPSSA-N	312.413	3.099	10	20	DGCD	
CN(CCCc1ccsc1)c1ccc(OCC(=O)O)cc1	846279808	MABTVRGBGQWMQB-UHFFFAOYSA-N	305.399	3.281	10	20	DGCD	
CCc1csc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)n1	910729125	IZUJXDMLGOHQKW-BXKUYDPTSA-N	318.398	3.007	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21	840892592	BKOGXSSGPWBYGV-HDMKZQKVSA-N	312.461	3.484	10	20	DGCD	
Oc1ccc(Cl)cc1CNCc1cc(C(F)(F)F)n[nH]1	846055829	PNPMSBXBFLNQAC-UHFFFAOYSA-N	305.687	3.077	10	20	DGCD	
CC[C@H](N[C@@H](C)Cc1ccc(N(C)C)cc1C)c1ccn(C)n1	840894824	UDPATHBCMWHVEK-YJBOKZPZSA-N	314.477	3.466	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H]2COc3c(C)cccc3C2)c1O	846174485	WVFYWXPZEHDURD-UKRRQHHQSA-N	313.397	3.364	10	20	DGCD	
CCc1ccccc1NC(=S)NCc1cccc(N(C)C)n1	754693724	VWNFBLXGCINZCT-UHFFFAOYSA-N	314.458	3.197	10	20	DGCD	
C[C@@H](NC/C=C/CO)c1cc(Br)cc(Cl)c1O	850508690	NDDBJKPLYNZLIF-UFUPEUMYSA-N	320.614	3.007	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@]2(C)C(=O)O)cc1	756390776	VVCWHUXXCAYVFN-WMZOPIPTSA-N	304.434	3.266	10	20	DGCD	
c1cnc(N2CCCC2)c(CNCc2ccc3c(c2)CCCO3)c1	922240930	GFPYYTHVWRNDDT-UHFFFAOYSA-N	323.440	3.297	10	20	DGCD	
CC[C@@H]1CCC[C@H]1NC(=O)N[C@H](C)c1cc(OC)ccc1O	756986646	QFECKLVZPQFFBF-LALPHHSUSA-N	306.406	3.340	10	20	DGCD	
CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1(C)C	753639995	FQNAUTMKTZBKQV-SUYBPPKGSA-N	317.429	3.383	10	20	DGCD	
CCC[C@H](OCC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	862002696	VPSFOSGVELFPLM-YJBOKZPZSA-N	320.477	3.313	10	20	DGCD	
Cc1cc(CN2C(=O)[C@H]3CCCN3C2=O)c(C)n1-c1ccccc1	863532644	LFBPHUVCYRMVMG-QGZVFWFLSA-N	323.396	3.021	10	20	DGCD	
CCC[C@](C)(NCc1cc(Cl)cc(F)c1O)C(=O)OC	762790936	RHCPSZDMCUDEQZ-AWEZNQCLSA-N	303.761	3.006	10	20	DGCD	
CC(C)(C)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768446242	LROPACMFOGHOBO-YOEHRIQHSA-N	319.445	3.466	10	20	DGCD	
CO[C@H](C)C(=O)Nc1cccc(NCc2c(C)cccc2O)c1	876823600	NTMGOYXKOIXRTI-CYBMUJFWSA-N	314.385	3.286	10	20	DGCD	
C[C@@H](NCCC(=O)N1CCc2ccccc2C1)c1ccccc1O	879649313	NBWBUIBDRIARFK-OAHLLOKOSA-N	324.424	3.018	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1Cc1ccc(N2CCC(O)CC2)cc1	877413923	UANNOJGDJOUDET-DNVCBOLYSA-N	302.462	3.268	10	20	DGCD	
CCOc1cccc(CN(CCO)Cc2c(C)cccc2O)c1	877577542	XNWBFYCKHMAYES-UHFFFAOYSA-N	315.413	3.094	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H](c1ccc(F)cc1)N(C)C	876949503	SDWHLPHLJZCPSW-KRWDZBQOSA-N	302.393	3.232	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CCOC[C@@H]2OCC)cc1C	873103545	FVYYUIYYYKLAKU-WMZOPIPTSA-N	307.434	3.067	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC(C)(C)O	787099432	LHIZRHVMSADDGP-UHFFFAOYSA-N	306.450	3.041	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc3c2OC(C)(C)C3)c(O)c1O	789883130	FODJKSJOGPQIGU-UHFFFAOYSA-N	313.353	3.372	10	20	DGCD	
CCN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1O	891450699	JWWWUJPTKIBNHJ-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
CC[C@@H](NC[C@@H](CO)Cc1ccco1)c1ccc(C)cc1O	794810552	LUVWSAZWJZNEKO-WMLDXEAASA-N	303.402	3.186	10	20	DGCD	
CCC[C@H]1C[C@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1323420857	ZOSXNTLMGMAIOD-ZJUUUORDSA-N	323.780	3.410	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[C@H](F)C1	1328656038	CVHBMCIKBIFAEU-NWDGAFQWSA-N	300.761	3.126	10	20	DGCD	
C[C@H](Cc1ccncc1)NCc1cc(Br)ccc1O	749293678	CSEOLGZKGCWINN-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)c(Cl)c1	780838570	ZRTKTKLRIPHIJZ-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
CC[C@@H]1c2ccccc2CN1C(=O)NCCc1ccc(N)cc1	1353426141	VWUCJGWCPDPGIW-GOSISDBHSA-N	309.413	3.488	10	20	DGCD	
CCN(Cc1csc(C(=O)O)c1)c1ccc(OC)c(OC)c1	1596377511	CBEQMMPRXPJSJG-UHFFFAOYSA-N	321.398	3.490	10	20	DGCD	
CCN(C)c1ccc(CN2CCc3ccc(C(=O)O)cc3C2)cc1	1776856078	JCSOPCXWYHBXEX-UHFFFAOYSA-N	324.424	3.399	10	20	DGCD	
CCOc1cccc([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c1O	153688012	SYLKTWCTPVHSEU-QGZVFWFLSA-N	312.369	3.296	10	20	DGCD	
C[C@H](NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	715103776	OKWIASASWIMLBA-IHRRRGAJSA-N	320.433	3.346	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2)C[C@H]1N[C@@H]1CCc2cccc(O)c21	389854495	YNSWJNCBMVAJPH-ATZDWAIDSA-N	322.452	3.490	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)C[C@H]2CCCOC2)c1O	107064807	URTTYHHUVAMPAG-GFCCVEGCSA-N	311.809	3.107	10	20	DGCD	
CCCN(CC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C	57650241	DPHKFXGFBPEJID-UHFFFAOYSA-N	315.461	3.401	10	20	DGCD	
COc1cccc(CNC(=O)c2cccc(C(F)F)c2)c1O	171486917	JKTRPUVTOUVCMJ-UHFFFAOYSA-N	307.296	3.268	10	20	DGCD	
COc1cccc(CNc2ccc(F)c(NC(C)=O)c2)c1O	119596074	LJNMFSYOCCQUAI-UHFFFAOYSA-N	304.321	3.110	10	20	DGCD	
CCSCCCNCc1cc(Br)ccc1O	301003169	YIBZDFXLWWGXBW-UHFFFAOYSA-N	304.253	3.388	10	20	DGCD	
CC[C@H]1CCCN(c2nnc(-c3sccc3O)n2C)CC1	1355345542	XJWDPQXMTNWZSS-NSHDSACASA-N	306.435	3.266	10	20	DGCD	
Cc1nc(C(C)(C)NCc2cc3c(cc2O)OCO3)sc1C	124740163	CLZFGCFDPGEJNE-UHFFFAOYSA-N	320.414	3.219	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(C)C)[nH]n1	120345902	YJLYJJMEUOWCSX-UHFFFAOYSA-N	314.433	3.261	10	20	DGCD	
CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1O	186030016	IKAQBBSDGANPMQ-OLZOCXBDSA-N	321.442	3.019	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)cc2)c(OC)c1	32185806	WMVYIAHGNNEHHS-UHFFFAOYSA-N	301.342	3.038	10	20	DGCD	
CCOc1cc(C)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1	180951002	ASZMEHQBIQXLHE-RMKNXTFCSA-N	313.353	3.457	10	20	DGCD	
Cc1ccc([C@H](C)NCCC(=O)NC2CCCCC2)c(O)c1	185091186	UMPGZTZEARVSIM-AWEZNQCLSA-N	304.434	3.190	10	20	DGCD	
CSCC[C@H](C)N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	317413686	TZVGZSKSUGVWKG-ZRQQLDRUSA-N	324.402	3.270	10	20	DGCD	
CCOc1cc2c(cc1NCc1cccc(C)c1O)OCCO2	189770316	BKHGFMRAQKNDQR-UHFFFAOYSA-N	315.369	3.483	10	20	DGCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CC=CC3)ccc21	85709738	RYLRFHSOAJMCCJ-UHFFFAOYSA-N	317.344	3.367	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(SC)CC1	195147381	DHOWHUOIKRSYDA-UHFFFAOYSA-N	321.490	3.180	10	20	DGCD	
CN(CCCN[C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C	381774188	UVQDKOLNMMMCPP-CQSZACIVSA-N	320.433	3.226	10	20	DGCD	
C[C@@H](NC1CCN(C)CC1)c1cc(Cl)c(Cl)cc1O	192617637	VMNIVDUKJBYNEO-SECBINFHSA-N	303.233	3.444	10	20	DGCD	
Cc1c(CNC(=O)N(C)Cc2cccn2C)n(C)c2ccccc12	350087899	WMUDDTIVXHYQOR-UHFFFAOYSA-N	324.428	3.167	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccn(C(C)C)n2)cc1	265009949	LBHRIWZQXNPABK-UHFFFAOYSA-N	314.433	3.240	10	20	DGCD	
O=C(Nc1ccccc1N1C[C@H]2CC[C@H]1C2)c1cccc(O)c1O	279838270	RGSZPTHZTMQCLQ-STQMWFEESA-N	324.380	3.339	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1n1ccnc1	271265732	LTOQGRRFMNFXFV-KSSFIOAISA-N	316.424	3.171	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)c1ccn(C)n1	274826292	UADRESGPLYONDJ-UHFFFAOYSA-N	314.414	3.166	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](F)C(F)(F)F	293873194	SUALMOSUGKUXNM-CYBMUJFWSA-N	320.330	3.390	10	20	DGCD	
Cc1cccnc1CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	296640961	YBCGWGMPTADDSN-ZDUSSCGKSA-N	315.373	3.287	10	20	DGCD	
COc1cc(O)c(CN2CCc3cc(F)ccc32)cc1OC	802657459	FIPQHMBLJUSJJU-UHFFFAOYSA-N	303.333	3.111	10	20	DGCD	
Oc1ccccc1CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1	809703748	PHIZOVJNBBVAOF-NRFANRHFSA-N	322.452	3.490	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](C)OCC1CC1	801549747	YPRRTRHOLDCINK-AWEZNQCLSA-N	305.418	3.336	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1nn(C)cc1Cl	393288398	KFFLZXSYLAEBDO-ZYHUDNBSSA-N	305.809	3.426	10	20	DGCD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	807839289	KQNQEJLHQSYSIY-DAROEXNTSA-N	318.200	3.129	10	20	DGCD	
CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)c1ccnc(F)c1	812246566	OKFFIZPCGRXHKL-LFIBNONCSA-N	314.360	3.390	10	20	DGCD	
Oc1ccc(CCNc2nc(C3CCCC3)ns2)cc1O	817121001	SWLXZAPDLOYIEL-UHFFFAOYSA-N	305.403	3.262	10	20	DGCD	
C/C=C/C[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)OCC	816591580	IOGKGPORFLXVPB-MASHWEEQSA-N	315.772	3.172	10	20	DGCD	
C[C@H](N[C@H]1CC[C@@H](CN)C1)c1cc(Cl)c(Cl)cc1O	817980646	CTVBCHSPQPVSIL-AEJSXWLSSA-N	303.233	3.477	10	20	DGCD	
Cc1ccc(O)c(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1	814176393	QHSJXKGLVDFQPI-ZDUSSCGKSA-N	303.324	3.242	10	20	DGCD	
CCOc1ccc(CNc2cccc(CC(=O)O)c2)c(O)c1	818240038	KOHYVHCVARGSNQ-UHFFFAOYSA-N	301.342	3.030	10	20	DGCD	
C[C@@H](NCC(C)(C)N(C)C)c1cccc(C(F)(F)F)c1O	815553037	QIZCDOBHPWRCQJ-SNVBAGLBSA-N	304.356	3.402	10	20	DGCD	
C[C@H](CCCCN)N[C@H](C)c1ccc(Br)cc1O	817976239	IRWSESSRMOUQMG-GHMZBOCLSA-N	315.255	3.323	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	816559186	AWILNVYBFFYTPJ-VQISRLSMSA-N	311.784	3.232	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)OC1CCOCC1	810079671	KLZMUJIZDBQIJD-UHFFFAOYSA-N	320.172	3.104	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCCNc1ccccn1	816563094	JSAYREVEFHJUTP-UHFFFAOYSA-N	309.772	3.172	10	20	DGCD	
CCn1nnc(C)c1CN(Cc1ccccc1O)C1CCCC1	823447834	NXEUTERCUCQQND-UHFFFAOYSA-N	314.433	3.257	10	20	DGCD	
Cc1cc(Cl)ncc1NC(=O)/C=C\c1ccc(O)c(O)c1	588408314	HQTNOPYDZYPIKM-HYXAFXHYSA-N	304.733	3.107	10	20	DGCD	
CCCCCC(C)(C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832267282	PKGYKHKOPLCLGI-QGZVFWFLSA-N	319.493	3.475	10	20	DGCD	
C[C@H](NCC(C)(C)C1(O)CCCC1)c1cc([N+](=O)[O-])ccc1O	834906300	OMGIJYAKPIMDLU-LBPRGKRZSA-N	322.405	3.282	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(Cl)n1	734406626	YYLBNZPNEUUNJH-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
CC(C)Oc1ncc(C(=O)NCc2ccc(N)cc2)cc1Cl	837303275	CUXAJPIAIIHPSG-UHFFFAOYSA-N	319.792	3.034	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1C(C)C	910957160	KREQJFCXSGOFGZ-UHFFFAOYSA-N	302.374	3.027	10	20	DGCD	
COc1cc(N(C)CC(F)(F)C(F)F)cc(OC)c1OC	741795957	WQSBXNAQGURUFK-UHFFFAOYSA-N	311.275	3.049	10	20	DGCD	
COc1cccc(CNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)c1O	745635141	CVDQEACYLUHJPB-IHRRRGAJSA-N	318.417	3.026	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CS[C@@H](C)C1	840416765	MSSSTGBABKMUAF-ZFWWWQNUSA-N	321.490	3.178	10	20	DGCD	
Cc1cc(CN(CC(=O)O)C2CC2)ccc1N1CCCCC1	846225821	VEMSIZBAYSZHIH-UHFFFAOYSA-N	302.418	3.034	10	20	DGCD	
CC[C@H](C)Oc1cccc(S(=O)(=O)Nc2ccc(O)cc2)c1	849305478	NAAWKYRXXCYPLL-LBPRGKRZSA-N	321.398	3.370	10	20	DGCD	
CCOc1cccc(CN2CCC(OC3CCC3)CC2)c1O	841888685	NFYCTGMMXVHRAC-UHFFFAOYSA-N	305.418	3.324	10	20	DGCD	
C[C@H](Cc1ccsc1)NC[C@H](N)c1ccc(N(C)C)cc1	841044737	FKMSMFDWWMHEBS-DYVFJYSZSA-N	303.475	3.035	10	20	DGCD	
CN1CCCc2cc(CNC(=O)/C=C\c3cccs3)ccc21	746811849	MQVVEORGEYMSCO-CLFYSBASSA-N	312.438	3.460	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](N2CCCCC2)C1	840913544	GWRMBFPTXMJXCG-LJQANCHMSA-N	301.478	3.121	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@@H]1c1nccn1C	840951182	TXSPRDILKUGXGA-KRWDZBQOSA-N	312.461	3.378	10	20	DGCD	
CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cc(Br)c(F)cc1O	850569861	BMLCRZFQSZGFKO-YLJLNXRRSA-N	318.186	3.122	10	20	DGCD	
C[C@H]1Cc2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc2O1	854271960	XBSNJTISZVWNHS-ZDUSSCGKSA-N	310.397	3.006	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OC[C@@H]3CCCCO3)sc2n1	928974147	BQOYHQISRAKETF-NSHDSACASA-N	320.414	3.221	10	20	DGCD	
COCCN(Cc1ccncc1C)c1ccc(OC)c(OC)c1	859196560	ZYKZPRJVWCCTNI-UHFFFAOYSA-N	316.401	3.060	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(F)cnc1O	857246151	YAMDJJCVNAITCY-UHFFFAOYSA-N	318.348	3.074	10	20	DGCD	
Cc1ccc([C@@H](C)NC2CCN(C(=O)C3CC3)CC2)c(O)c1C	756398952	KTGMGWHGUVRZJW-CQSZACIVSA-N	316.445	3.061	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2c(C)nn(C(C)(C)C)c2C)c1	862758654	FUHXPRGQZWSYKG-UHFFFAOYSA-N	315.417	3.199	10	20	DGCD	
Cc1cccc(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O	862541531	RWSSTBYSFUMUCC-CYBMUJFWSA-N	308.422	3.046	10	20	DGCD	
COc1cc(CN(C)CC2(C)COC2)c(O)c(C(C)(C)C)c1	862479500	QJXWITCXZRGPFT-UHFFFAOYSA-N	307.434	3.167	10	20	DGCD	
Cc1ncc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(C)n1	777372071	BAJBVNYYAGCIDZ-UHFFFAOYSA-N	324.428	3.014	10	20	DGCD	
C[C@H](CC(=O)N(C)c1ccc(N)cc1)N1CCc2ccccc21	877074660	OKEQFOGQYJTRBU-CQSZACIVSA-N	309.413	3.073	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(Cl)nn1	876522626	XQGJBFSUEACPGL-UHFFFAOYSA-N	304.825	3.218	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCOC2(CCCC2)C1	1116445240	JKBSBIDZUIUQKQ-UHFFFAOYSA-N	300.446	3.432	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc2ccccc2s1	779488017	ACJGDWVOXCDEEW-SOFGYWHQSA-N	312.350	3.359	10	20	DGCD	
CCN(Cc1cc(F)ccc1O)C[C@H]1COc2ccccc2O1	778994924	LIVORIBPCLJMIE-HNNXBMFYSA-N	317.360	3.193	10	20	DGCD	
C[C@H](NC(=O)c1cccnc1Cl)c1ccc(N(C)C)cc1	773989874	QZXVPWGFONXTQZ-NSHDSACASA-N	303.793	3.292	10	20	DGCD	
CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(C)c(C)cc2O)C1	780778916	XZEZJKLRRHBHDP-SFHVURJKSA-N	324.424	3.076	10	20	DGCD	
CN(C)c1ccc(CNc2ncnc3cccc([N+](=O)[O-])c23)cc1	780906818	PQURUYKZEMUMQE-UHFFFAOYSA-N	323.356	3.216	10	20	DGCD	
CCOc1ccc(CN[C@@H](CCOC)Cc2ccco2)c(O)c1	784626294	YNYSRIBOJVSOOP-HNNXBMFYSA-N	319.401	3.121	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1O	894366315	LPTNLNJYJQMNLF-GDBMZVCRSA-N	307.434	3.393	10	20	DGCD	
CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccnc1	797798096	PPIFQMVUYHQSMJ-SFHVURJKSA-N	311.429	3.204	10	20	DGCD	
CCOCc1cc(CN[C@@H](CC=C(C)C)C(=O)O)ccc1OC	1329310826	PXQIUCLAZROIBM-INIZCTEOSA-N	321.417	3.131	10	20	DGCD	
C[C@H](NCc1cc(F)ccc1F)c1cc(C(=O)O)ccc1O	1604341911	MOPYKWAZBZZIDZ-VIFPVBQESA-N	307.296	3.219	10	20	DGCD	
CC[C@@](CNCc1cc(C)ccc1O)(C(=O)O)c1ccccc1	1605040479	OWDWUHIMFDJWKP-IBGZPJMESA-N	313.397	3.223	10	20	DGCD	
O=C(O)/C=C/c1ccc(CNCc2cc(Cl)ccc2O)o1	1608660523	UJGAKKZXUSBKIT-GQCTYLIASA-N	307.733	3.026	10	20	DGCD	
CC(C)c1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@H](N)C2)c1	1575858866	SSLCGYIBCFGZDE-UONOGXRCSA-N	316.367	3.227	10	20	DGCD	
CCN(C)c1ccc(CN2CCCC[C@H]2CCC(=O)O)cc1	1589715615	XAAWOHDTJRYFDU-KRWDZBQOSA-N	304.434	3.362	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2ccc(C(=O)O)o2)cc1	1596289541	KRUFKSCYUXVQCM-UHFFFAOYSA-N	316.401	3.456	10	20	DGCD	
CCN1CCc2cc(CN[C@H](CCC(C)C)C(=O)O)ccc21	1776876999	CQAZMXZMDIPLIF-MRXNPFEDSA-N	304.434	3.048	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N[C@@H](C)c2cccs2)cc1	150733037	XTWHNFRCDWIDTN-ZDUSSCGKSA-N	318.442	3.460	10	20	DGCD	
COc1cc(O)c(CN(C)[C@@H]2C[C@](C)(OC)C2(C)C)cc1OC	160325824	QKRDIAWZZUZURB-AEFFLSMTSA-N	323.433	3.045	10	20	DGCD	
CO[C@@H]1C[C@H](NCc2c(O)cccc2Br)C1(C)C	706885047	PGKODIZBHILMFK-QWHCGFSZSA-N	314.223	3.058	10	20	DGCD	
C[C@@H]1C[C@H](CNCc2c(O)cccc2Br)CCO1	706809586	GHXCIRFKJLWSKL-GHMZBOCLSA-N	314.223	3.059	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2cccc(N(C)C)n2)cc1	90852483	MNLCQKVTQOQWHB-HNNXBMFYSA-N	312.461	3.455	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H]2C(=O)OC(C)(C)C)c1	93102611	SNFJEUDHFHWAEW-HNNXBMFYSA-N	321.417	3.097	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C[C@H]2CCc3ccccc32)c1	115713228	QXAXFPORTAWDCW-CQSZACIVSA-N	311.381	3.137	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1	139149452	SJTGFAAPPXLMTE-RBUKOAKNSA-N	323.440	3.348	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccn2C(C)C)c1	152373071	SFYWHJRUYCLQLX-LBPRGKRZSA-N	302.374	3.274	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccccc2O)c(OC)c1OC	154069829	IRDKVSOXBKPGQY-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
C[C@H](NCCN1CCCC1)c1ccc(N2CCCCC2)cc1	178311146	AVJKINBZLAQLLQ-KRWDZBQOSA-N	301.478	3.423	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCOC2)c(C)n1-c1cccc(Cl)c1	179215829	FOHOEYIAUHUHAW-CQSZACIVSA-N	318.804	3.266	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	223661836	BWPHXUJIGOQNKA-KGLIPLIRSA-N	320.433	3.300	10	20	DGCD	
Nc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1	237984290	HGSIDXOBDUNCNS-UHFFFAOYSA-N	323.421	3.497	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1cc(F)c(O)c(F)c1	255202277	AXOAMGVUMPXUEP-WQLSENKSSA-N	324.352	3.127	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2cccs2)c1	255364005	NDLFVEXVCGNJMH-BPOWMSRESA-N	303.383	3.353	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CSc1ccncc1	264088429	NLTPZVQJTJTDCE-UHFFFAOYSA-N	316.426	3.318	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ncc(Cl)n2C)cc1	264551132	ZWSNQJWFQVUXHA-UHFFFAOYSA-N	306.841	3.210	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/c1c[nH]cn1	276778831	ZBVQFCQPXKZJHZ-JXMROGBWSA-N	324.428	3.072	10	20	DGCD	
C[C@H](NCC1([S@](C)=O)CC1)c1ccc2ccccc2c1O	282315470	NHNANVXMGUJPJN-QKVFXAPYSA-N	303.427	3.107	10	20	DGCD	
CCCOc1ccc(CN2CC[C@H](OC)C(C)(C)C2)c(O)c1	294706781	BPCUMXRXILONCX-KRWDZBQOSA-N	307.434	3.428	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)(C)C	305162906	XOEQTSNTGXXLFB-ZDUSSCGKSA-N	308.441	3.311	10	20	DGCD	
Cc1c(CNC(=O)NC[C@@H]2CCSC2)n(C)c2ccccc12	350066055	CSNFFCZGICGSOE-ZDUSSCGKSA-N	317.458	3.039	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1C1CC1	364826992	MZBVHHNQUKLACE-GOSISDBHSA-N	311.429	3.147	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1	378213517	VTMOWGWDKJNFPZ-QGZVFWFLSA-N	316.351	3.453	10	20	DGCD	
CC(=O)N(C)c1ccc(NCc2c(C)c3ccccc3n2C)cn1	416430005	YUOVDGWRRYCQIM-UHFFFAOYSA-N	322.412	3.477	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(Br)cc2O)CCCO1	691675420	IQIJDWZMJGFQTD-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1CCc2ccc(F)cc21	730124509	AEXBGGBMMRLPBJ-OAHLLOKOSA-N	300.333	3.018	10	20	DGCD	
CCN(CC)c1ccc(CNCCN(CC)C2CC2)cc1F	740004735	UREHMWCFCGFTIJ-UHFFFAOYSA-N	307.457	3.246	10	20	DGCD	
CCOc1ccc(N(CC)Cc2ccoc2C(=O)OC)cc1	746158715	FOFBIILLYWOPGO-UHFFFAOYSA-N	303.358	3.491	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCn2ccnc2)c1	749569939	AOEGTTMXYHSRRC-UHFFFAOYSA-N	322.412	3.029	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1	766908789	DUDYNUZLWFJHEQ-RDTXWAMCSA-N	323.440	3.445	10	20	DGCD	
CN(Cc1ccc2c(c1)OCO2)Cc1cc(Cl)ccc1O	768199091	YZAOOTWKQHKIAD-UHFFFAOYSA-N	305.761	3.406	10	20	DGCD	
COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(Cl)ccc1O	769425742	XEOBNLVCJIUXKM-INIZCTEOSA-N	319.788	3.392	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)[C@@H]1CCCc2c1cnn2C	769538704	UTGBBVZZMCFZFL-CQSZACIVSA-N	305.809	3.289	10	20	DGCD	
CCN(C)c1ccc(CNC2(C(=O)OC)CCCCC2)cc1	773754610	QWHDSKLBAAOZCR-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
COc1ncccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775432554	ILEQTNCMGPSVFB-GFCCVEGCSA-N	314.389	3.039	10	20	DGCD	
COc1ncc(/C=C\C(=O)N(CC2CCC2)c2ccccc2)cn1	775869018	GJEAYIMWFVTGPZ-KHPPLWFESA-N	323.396	3.332	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@@H]1C1CCOCC1	776769899	ZAUJHYSSKSELBE-GOSISDBHSA-N	312.413	3.331	10	20	DGCD	
CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2cccc(C)c2O)C1	777221379	GTCYRHHVFNBXOG-GOEBONIOSA-N	320.433	3.047	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)C[C@H](C)O)c(C)n1-c1ccc(F)cc1	783631591	PYPLRKMJNFWPQV-YPMHNXCESA-N	318.392	3.122	10	20	DGCD	
CSC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1	789615540	AUGLWSXAYSFQDR-UHFFFAOYSA-N	304.459	3.139	10	20	DGCD	
Cc1cc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)c(C)s1	789952471	FCOIKWVWWKNPLG-QMMMGPOBSA-N	309.362	3.406	10	20	DGCD	
C[C@H](NC(=O)c1c[nH]nc1-c1ccoc1)c1ccc(N(C)C)cc1	790035844	MFKVTYAJWRFFEX-LBPRGKRZSA-N	324.384	3.227	10	20	DGCD	
CC[C@@]1(CO)CCCN(Cc2c(O)ccc(Cl)c2F)C1	792179718	LMGYXDMHDZYDCV-OAHLLOKOSA-N	301.789	3.169	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H]2CCc3ccccc3OC2)c1	800889070	KKMRLKYQPIZLSM-INIZCTEOSA-N	313.397	3.274	10	20	DGCD	
COC(C)(C)CC(=O)NCc1cc(Cl)cc(Cl)c1O	807841089	RGEVNZFKGDEVBB-UHFFFAOYSA-N	306.189	3.130	10	20	DGCD	
O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(CO)c1	813419223	GQPVYXHOLTYCMO-UHFFFAOYSA-N	310.397	3.422	10	20	DGCD	
Cc1cc([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)cs1	817939997	DSRDFWRRSXIWIV-CXAGYDPISA-N	303.475	3.473	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCCC23CCCC3)cc1	817943310	UGXQBZACARFFNA-QZTJIDSGSA-N	301.478	3.455	10	20	DGCD	
CC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)(C)O	818580109	BSLFJOLVIXILOF-KRWDZBQOSA-N	314.429	3.373	10	20	DGCD	
CC[C@H](C)[C@@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)OC	824597322	QXLUIFOZTGKXJY-TVQRCGJNSA-N	316.785	3.105	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](N3CCCCC3)C2)cc1Cl	824709871	PQEAGIHUXDKTAW-OAHLLOKOSA-N	308.853	3.414	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)[C@@H](C)c2ccccc2)c(OC)c1	828474176	CQYXTHLVJSYKCE-KBXCAEBGSA-N	315.413	3.305	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1ccc(Cn3cccn3)cc1)CC2	834496381	GARHJDIBBQKDOT-SFHVURJKSA-N	319.408	3.414	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1C[C@@H](C)[C@H](C)C1=O	839969690	LTGUHWGPDUAFAO-CVEARBPZSA-N	317.477	3.035	10	20	DGCD	
COC(=O)c1cnc(SCC(=O)CCc2ccccc2)s1	840210088	NHLAYYTUTUKAHX-UHFFFAOYSA-N	321.423	3.224	10	20	DGCD	
CCO[C@H](CC)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	840274093	AKYLKGMRLYFOCR-QGZVFWFLSA-N	306.450	3.305	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CS1	840854621	FEZYYYNIMIGWMM-NFAWXSAZSA-N	324.465	3.207	10	20	DGCD	
NC[C@H]1CCCC[C@H]1NCc1cc(Cl)cc(Cl)c1O	841029644	IVPQEKSIJPAWAN-NOZJJQNGSA-N	303.233	3.306	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc3cnccc3c2)cc1	841043230	PLGOBXSFZGUCOH-FQEVSTJZSA-N	320.440	3.090	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H]2CCOC3(CCC3)C2)c1O	846168191	IBXUEVGJVDTRQA-KGLIPLIRSA-N	305.418	3.401	10	20	DGCD	
C[C@H]1Cc2cc(NCc3ccc(N4CCOCC4)cc3)ccc2O1	846745516	IAZSLWVULZWEGE-HNNXBMFYSA-N	324.424	3.459	10	20	DGCD	
C[C@@H](N[C@H](C)C1(CO)CC1)c1ccc(N2CCCCC2)cc1	850516118	JRWHKVRGMLHTQK-HZPDHXFCSA-N	302.462	3.489	10	20	DGCD	
C[C@@H](Cc1cccc(O)c1)NCc1cc(F)c(N(C)C)cc1F	858126287	XNUQJSOWFOJEQB-LBPRGKRZSA-N	320.383	3.457	10	20	DGCD	
CCC[C@@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)OCC	858210126	GJTGNCJGYQDCLH-LBPRGKRZSA-N	316.785	3.249	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@H](O)CC(C)(C)C2)cc1F	862388013	UFCMLBBNQCPDLB-ZDUSSCGKSA-N	312.404	3.014	10	20	DGCD	
CCc1cccc(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O	862540326	CKUKRAIBSKLUAB-CYBMUJFWSA-N	322.449	3.300	10	20	DGCD	
C[C@H]1CCc2ccccc2N1C(=O)CN(C)c1ccc(N)cc1	863557095	ICUYWVWQJJGHAT-AWEZNQCLSA-N	309.413	3.073	10	20	DGCD	
COc1ccc(OC)c(CN[C@H](C)c2c(O)cccc2F)c1	886494973	COVFTBHXODYKJZ-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
CCOc1ccc(O)c(CNCc2cnn(CC3CCC3)c2)c1	897433628	ZAHXVIBHGUTSDJ-UHFFFAOYSA-N	315.417	3.077	10	20	DGCD	
CCCN(CC(=O)OCC)Cc1ccc(N2CCCC2)cc1	1204328976	WIQZJBQWOWVDRF-UHFFFAOYSA-N	304.434	3.062	10	20	DGCD	
CC[C@H]1C[C@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1324140005	DRKCFNHRKPRTOW-BDAKNGLRSA-N	309.753	3.020	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1O	1327704491	ZZILYNYAMVNRFZ-DOTOQJQBSA-N	319.445	3.490	10	20	DGCD	
CN[C@H](C)CCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	1329023673	MQVXFSLVLLVMOV-CABCVRRESA-N	307.457	3.465	10	20	DGCD	
COC(=O)c1cccc(CNCCCSc2nccs2)c1	1344433102	YHRQVCPTRLAQMF-UHFFFAOYSA-N	322.455	3.202	10	20	DGCD	
Cc1nc(CSc2ncc(C(=O)O)s2)nc2ccccc12	1600706313	VCJXRIVPMZWGED-UHFFFAOYSA-N	317.395	3.385	10	20	DGCD	
O=C(O)c1cnc(SCc2ccn(C3CCCC3)n2)s1	1610862901	LNLGFHJYXMVFNC-UHFFFAOYSA-N	309.416	3.445	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NCc3cccs3)ccc21	58483264	QZTZKXPDXNSUMC-UHFFFAOYSA-N	315.442	3.130	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1occc1Br	81751057	ITEJCSQCPWRVET-UHFFFAOYSA-N	310.147	3.020	10	20	DGCD	
Cc1cc(C)cc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1	111236074	ZVEGZZCDJARGLK-OAHLLOKOSA-N	312.413	3.468	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)c(C)n1-c1ccccc1	155317300	UPPJXDPWSOVNTE-NJAFHUGGSA-N	310.397	3.144	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccncc1	174007966	SEXPYJUXNPIKLN-HZPDHXFCSA-N	311.429	3.330	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)ccc21	181628464	VVSMCLAXZLIYNQ-UHOSZYNNSA-N	314.473	3.362	10	20	DGCD	
CCCN(CC(=O)OC(C)(C)C)Cc1cc(C)cc(OC)c1O	184843402	LGFICIZUYKPPBN-UHFFFAOYSA-N	323.433	3.263	10	20	DGCD	
COc1ccc(OCCN[C@@H](C)c2cc(C)ccc2O)cc1	184903583	LHOWTRPCYFOQCU-AWEZNQCLSA-N	301.386	3.439	10	20	DGCD	
C[C@H](NCCCN(C)CC(F)(F)F)c1ccc(F)cc1O	185026815	PGRUQESMJQRSOA-JTQLQIEISA-N	308.319	3.066	10	20	DGCD	
CC[C@@H](CCO)CN[C@H](C)c1ccc(Br)cc1O	185677458	NGJMYEGKWWYIHS-MNOVXSKESA-N	316.239	3.214	10	20	DGCD	
CCOc1ccc(O)c(CNCCc2ccc(F)c(F)c2)c1	190291834	WXUCUHNWWRJOPI-UHFFFAOYSA-N	307.340	3.401	10	20	DGCD	
CC(C)CN1CCC(N[C@H](C)c2ccc(F)c(F)c2O)CC1	191196928	BSACKPCYWVSUJJ-GFCCVEGCSA-N	312.404	3.441	10	20	DGCD	
Cc1nccn1CCCNCc1cc(Cl)cc(Cl)c1O	263671438	KAMIGVARTBNJOW-UHFFFAOYSA-N	314.216	3.384	10	20	DGCD	
CCCOc1ccc(CNCCCc2nccs2)c(O)c1	265638297	UGFCFABCGXNOOD-UHFFFAOYSA-N	306.431	3.360	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](CCOC)c2ccco2)c1	272637027	YSGJLTBVKGMSDK-OAHLLOKOSA-N	305.374	3.251	10	20	DGCD	
CC[C@H](NCC1(N2CCCC2)CCOCC1)c1ccccc1O	274954503	VOFISAUIZNNCEW-KRWDZBQOSA-N	318.461	3.078	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(F)c(C(F)(F)F)c1	319359340	WZZVCCSEHCGYMJ-UHFFFAOYSA-N	313.250	3.480	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](Cn2ccnc2)C(C)(C)C)c1	319981730	JRGMCEMQTDUTHG-SUMWQHHRSA-N	317.433	3.363	10	20	DGCD	
CCNC(=O)c1ccc(NCc2cccc(OC)c2O)c(C)c1	321308529	OCPNLDSXNYBOJH-UHFFFAOYSA-N	314.385	3.071	10	20	DGCD	
Cc1c(CNC(=O)CC[C@@H]2CC[C@H](C)O2)n(C)c2ccccc12	348657015	BGKCSFZFJLYPHV-ZFWWWQNUSA-N	314.429	3.451	10	20	DGCD	
COC(=O)c1ccc(CNCc2c(C)c3ccccc3n2C)o1	355109964	BAGPKPFZHYBIHE-UHFFFAOYSA-N	312.369	3.156	10	20	DGCD	
COc1cccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1O	367687363	QJOVPEISUHOHCS-HUUCEWRRSA-N	305.418	3.039	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	376828118	MLQBRFHWTCNEBX-LGBHXNNWSA-N	319.376	3.023	10	20	DGCD	
Cc1cc(C(=O)N2CC[C@H](C3CC3)C2)c(C)n1-c1ccccn1	378320255	UNWWWBYAESLOCA-INIZCTEOSA-N	309.413	3.361	10	20	DGCD	
CCn1ncc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc21	588405574	MMTFEJFZETWJCR-YWEYNIOJSA-N	323.352	3.119	10	20	DGCD	
Oc1cccc(Br)c1CNCCOC1CCCC1	706874983	GQGOAQLXUSMHQS-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
CCOc1cc(CNCc2cc(Cl)ccc2O)ccc1O	729686004	ZRVQEJPTRTYUGL-UHFFFAOYSA-N	307.777	3.440	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@@H]1CCCC[C@H]1C	734406244	OFIQJAGJZWVLPO-RDTXWAMCSA-N	318.461	3.273	10	20	DGCD	
CCN(CCc1ccccn1)Cc1cc(F)cc(C(C)=O)c1O	750819450	PFXNYCFCNTXPSY-UHFFFAOYSA-N	316.376	3.194	10	20	DGCD	
C[C@H]1CCCN1CCN[C@H](C)c1cc2c(cc1O)CCCC2	756614937	CIEVMOFBOAHOOQ-LSDHHAIUSA-N	302.462	3.406	10	20	DGCD	
Cc1cccc(CN(C)Cc2cccc(Br)c2O)n1	769480447	NTEZXXKEIOLQGB-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc3c(c2)C(=O)NCC3)cc1	770577444	AFVXVLJPEVROLZ-UHFFFAOYSA-N	323.440	3.431	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCCCCC1	774486726	XMDRHKHZNRUSFV-CVEARBPZSA-N	317.477	3.194	10	20	DGCD	
CC(C)[C@@H](C)N(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1	775637300	ONUJEFQJIOMOFM-QGZVFWFLSA-N	315.505	3.447	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCCCO	775865455	BEZHUKXANWGIAC-UHFFFAOYSA-N	320.458	3.438	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2ccc(N(C)C)c(C)c2)C12CCC2	776165419	QQQGTHORBUNUHJ-ROUUACIJSA-N	302.462	3.498	10	20	DGCD	
CCOC(=O)N1CCC[C@H]([C@H](C)NCc2cccc(C)c2O)C1	777221380	GTCYRHHVFNBXOG-HOCLYGCPSA-N	320.433	3.047	10	20	DGCD	
Clc1cnc(Sc2nnc(N3CCCC3)s2)s1	780912562	ZCFIKESICXCQCT-UHFFFAOYSA-N	304.853	3.399	10	20	DGCD	
COC(=O)COc1ccc(N(C)CCCc2ccsc2)cc1	784560776	NKOOKAYIPMACAL-UHFFFAOYSA-N	319.426	3.369	10	20	DGCD	
CC[C@@]1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCOC1	791416401	NHUCRNZNZVTGRX-LJQANCHMSA-N	312.413	3.393	10	20	DGCD	
Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c(O)c1O	798029241	QNDCJYCJQJTFPZ-MQMHXKEQSA-N	315.344	3.221	10	20	DGCD	
C[C@@H](NCCCNC(=O)/C=C/c1ccccc1)c1ccccc1O	800503881	ALHLIFQXVHHERF-CJTWTEFWSA-N	324.424	3.263	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCc2cc(Cl)ccc21	804346883	VTDKDSIXVJUNAD-RJRFIUFISA-N	302.736	3.477	10	20	DGCD	
O=C(CC[C@@H]1CCCO1)NCc1cc(Cl)cc(Cl)c1O	807839043	GJZUWSSYBGKPIP-NSHDSACASA-N	318.200	3.274	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C(N)=O)c2ccccc2)c1O	808674007	MGANXQHQHDIYON-NHYWBVRUSA-N	318.804	3.231	10	20	DGCD	
CCOc1ccc(CNC[C@H](O)c2ccc(Cl)cc2)c(O)c1	814299363	DXPPPGNHUFDSJL-KRWDZBQOSA-N	321.804	3.268	10	20	DGCD	
Cc1cc(CN(Cc2ccccc2)C[C@@H](C)O)ccc1N(C)C	815052824	CFQQJZYMMLPDJG-QGZVFWFLSA-N	312.457	3.444	10	20	DGCD	
OCCN(Cc1ccccc1)Cc1cc(Cl)c(F)cc1O	816480098	CUJXHIWKXZEZMN-UHFFFAOYSA-N	309.768	3.179	10	20	DGCD	
CC[C@@H](NC[C@H]1CCCN1)c1ccc(C(F)(F)F)cc1O	817953812	RSMBPXVOTJZVLA-DGCLKSJQSA-N	302.340	3.204	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(N)c1	818608301	YTWUYDINIJTSMA-UHFFFAOYSA-N	311.429	3.386	10	20	DGCD	
COC(=O)c1nccnc1Sc1ncc(C(C)(C)C)s1	825832326	NXOWOUOCZHRJLX-UHFFFAOYSA-N	309.416	3.168	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)[C@@H](C)c2ccccc2)cc1OC	827491298	JUWBVJIBAFNVKL-YOEHRIQHSA-N	315.413	3.305	10	20	DGCD	
COc1ccccc1CN(C(=O)Nc1ccc(N)cc1)C1CC1	841301256	HGQABHAKBSOYLR-UHFFFAOYSA-N	311.385	3.474	10	20	DGCD	
OCC[C@H](NCc1cc(Cl)ccc1O)c1ccccc1F	842762597	HWXBPQXAGNOBCE-HNNXBMFYSA-N	309.768	3.398	10	20	DGCD	
CCCN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCNC1	843053504	ZJFAEEDCPXPPQO-LJQANCHMSA-N	301.478	3.251	10	20	DGCD	
Cn1cc(CN2CCCc3cc(CN)ccc32)c(C(C)(C)C)n1	843057982	JVDYCXLIJVBQAU-UHFFFAOYSA-N	312.461	3.129	10	20	DGCD	
CCCN(Cc1cc(Cl)cc(F)c1O)[C@@H]1CCN(C)C1	843423112	WPUKXMBQFBXYIK-CYBMUJFWSA-N	300.805	3.101	10	20	DGCD	
CCCc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)s1	857202522	PIGGZKDATPGLBK-RAXLEYEMSA-N	322.455	3.003	10	20	DGCD	
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@H](C)c1ccccc1O	868617168	ABRYQBFRDBEBNI-BWACUDIHSA-N	312.369	3.275	10	20	DGCD	
CC[C@H](NCCn1ccc(C(F)(F)F)n1)c1ccccc1O	872110205	WSAFDSKHWQCVLU-LBPRGKRZSA-N	313.323	3.348	10	20	DGCD	
CCCOc1ccc(CNCc2nc(C(C)(C)C)n[nH]2)cc1C	873131278	RCQOTEYFILDDLG-UHFFFAOYSA-N	316.449	3.489	10	20	DGCD	
CN1CCCc2cc(CNC(=O)C3(C)CC(F)(F)C3)ccc21	874251656	OZZPMIDBSNVZCT-UHFFFAOYSA-N	308.372	3.121	10	20	DGCD	
CC[C@H](NCc1ccc(C)cc1O)c1nnc2n1CCCCC2	876995083	ABXBAHPMTMGOFH-HNNXBMFYSA-N	314.433	3.259	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H]1CCN(CCc2ccccc2)C1	877007158	FJRMEDLTVZJEMI-IBGZPJMESA-N	324.468	3.355	10	20	DGCD	
COc1ccccc1OCCCNCc1cc(F)cc(F)c1O	882979016	KWVCKKSHYZNLQO-UHFFFAOYSA-N	323.339	3.238	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@H](C)c1c(O)cccc1F	886587935	IMETYTWDLLCPTI-OLZOCXBDSA-N	307.365	3.423	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2cc(F)ccc2OC)c1	886724191	ZJLLCKGTHZEJAZ-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
COc1cc(C)cc(CN(C)[C@@H](CCO)c2ccccc2)c1O	894028577	UCBBTWYZBXPQMK-KRWDZBQOSA-N	315.413	3.265	10	20	DGCD	
CCOc1ccc(CNC(C)(C)[C@H](O)c2ccccc2)c(O)c1	895657675	CXSWGLDBGPKLAK-GOSISDBHSA-N	315.413	3.393	10	20	DGCD	
CCCOc1ccc(CN[C@@H](CO)CC(F)(F)F)cc1C	1333321835	ONKUKZQHEQIHDP-CYBMUJFWSA-N	305.340	3.187	10	20	DGCD	
CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1C(=O)O	1598005727	CLHNMQZXFSEABT-CLFYSBASSA-N	316.744	3.109	10	20	DGCD	
CN(C)c1ccc(CNc2cnc(C(=O)O)c(Cl)c2)cc1F	1598320670	LUQXLUWGJYPBDM-UHFFFAOYSA-N	323.755	3.250	10	20	DGCD	
CC(C)C[C@@H](CNCc1ccc2ccccc2c1O)C(=O)O	1603776148	XABVCKYAYYYRRX-HNNXBMFYSA-N	301.386	3.382	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCC1(c2ccccc2)CC1	45376777	KDGJCMFYCXUDFZ-UHFFFAOYSA-N	310.397	3.265	10	20	DGCD	
CCOCCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	68956329	IQBJHJXUDMAGMS-UHFFFAOYSA-N	318.392	3.390	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C[C@H]2OCCc3ccccc32)cc1	115009906	BUAKJCAKRJSRLN-LJQANCHMSA-N	324.424	3.073	10	20	DGCD	
COc1cccc(CNc2cc(C(=O)N(C)C)ccc2C)c1O	121898890	HFTDUXDMCXMDKI-UHFFFAOYSA-N	314.385	3.023	10	20	DGCD	
Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C	152985298	GXDMVKNVTWHCNE-CYBMUJFWSA-N	314.385	3.467	10	20	DGCD	
CCOc1cccc(CNc2cccc(-c3ncn(C)n3)c2)c1O	153490889	OAIOKISIPVDXGO-UHFFFAOYSA-N	324.384	3.199	10	20	DGCD	
CN1CCN(C(=O)/C=C/c2cccnc2)c2cc(Cl)ccc21	173671432	KHOVHTCTNVFPOY-QPJJXVBHSA-N	313.788	3.231	10	20	DGCD	
Cc1cnc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)s1	176361384	KBOCVRGVEABHDF-GFCCVEGCSA-N	318.446	3.078	10	20	DGCD	
Cc1ccc(C(=O)NCCc2c(C)[nH]c3ccccc23)c(O)c1O	179473869	CETIMUQIYVHUMF-UHFFFAOYSA-N	324.380	3.168	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1(Cc2ccccc2)CC1	181234859	IWLRAHSPLSJTBI-VQHVLOKHSA-N	323.392	3.250	10	20	DGCD	
CC(=O)Nc1cccc(CN[C@H](C)c2cc(F)ccc2O)c1	185021312	CAQXYSCMJIGEGA-LLVKDONJSA-N	302.349	3.341	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cc(F)ccc1O	185350913	IZRGUDQPFFKTHI-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
Cc1ccc([C@H](C)NCCCOCC2CCOCC2)c(O)c1	185520407	GHFRAPKNTMBLIC-HNNXBMFYSA-N	307.434	3.185	10	20	DGCD	
C[C@@H](CCC1CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1	186270356	LBHGNKXQFNWLRV-AWEZNQCLSA-N	320.452	3.455	10	20	DGCD	
CC[C@]1(C)CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1	190328956	WMVJUJOUTKIRLH-GOSISDBHSA-N	307.434	3.396	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CSC(F)(F)F	264135339	TXAZANGKRGQWPP-UHFFFAOYSA-N	307.337	3.384	10	20	DGCD	
CC[C@@H](C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	269684316	GJNWTAFKBMQEMY-CQSZACIVSA-N	304.434	3.059	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccc(CO)c1	270428934	HOBHQCMVAYJKGA-OAHLLOKOSA-N	310.441	3.412	10	20	DGCD	
CC(C)(C)OC(=O)c1cccc(/C=C2\SC(=S)NC2=O)c1	272287077	VJHUCOLPAOPEBN-FLIBITNWSA-N	321.423	3.131	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccc(CO)cc2)C2CC2)cc1	272382382	WHUCAPYNKOFBSM-UHFFFAOYSA-N	310.441	3.410	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@](C)(OC)CC2)c1O	280107052	AUJUIZOHOZSMRD-MRXNPFEDSA-N	313.825	3.445	10	20	DGCD	
CN(C)C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cc1	290201604	USKDMYNQYPTTEN-LJQANCHMSA-N	315.436	3.284	10	20	DGCD	
C[C@@]1(CNCc2cc(F)ccc2O)OCCc2sccc21	291528367	JVAIGNDHANISEA-INIZCTEOSA-N	307.390	3.171	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)[C@H]1OCCc2sccc21	291680327	HPGZDZUANTUJAV-KZULUSFZSA-N	315.438	3.475	10	20	DGCD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N(C)Cc1ccccc1O	291761963	HXRCEOVENGLILY-SJCJKPOMSA-N	312.369	3.056	10	20	DGCD	
COc1cccc(CN[C@@H](c2cccs2)C(C)(C)CO)c1O	296060691	QLCKVWHPECZTEW-INIZCTEOSA-N	321.442	3.312	10	20	DGCD	
CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(N)cc1	319874446	SXYMRUGGGHMQOY-UHFFFAOYSA-N	311.429	3.428	10	20	DGCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)c1cccc([N+](=O)[O-])c1	383904493	DDIOZXUGLOJYAJ-LBPRGKRZSA-N	314.341	3.063	10	20	DGCD	
COc1ccc([C@@H](NCc2cccc(OC)c2O)C2CC2)cn1	527842283	WNNFLUCBXFFZJY-KRWDZBQOSA-N	314.385	3.045	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2O)CO1	708114985	QQQHOMVCAZQMGD-OIBJUYFYSA-N	320.614	3.075	10	20	DGCD	
O=C(OCc1ncc(-c2ccccc2)o1)c1cc(O)cs1	731911504	KGRJTURAKNYCGD-UHFFFAOYSA-N	301.323	3.466	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCS2)cc1F	743345954	XUIDVNYZEYQLPN-OAHLLOKOSA-N	310.438	3.184	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1	743767949	NLWOXIGOEKKXGL-ZDUSSCGKSA-N	303.406	3.473	10	20	DGCD	
Cc1cc(C(=O)OCC(=O)CC(C)C)c(C)n1-c1ccccn1	751643894	DOVKXNJEBSFZIC-UHFFFAOYSA-N	314.385	3.261	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3[C@H]4CCC[C@H]3CC4)ccc21	752916845	SNCFYZOKIHWHFG-IRXDYDNUSA-N	313.445	3.296	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC12CCC(CC1)C2	753191123	ODLPPJZXQXMXIX-UHFFFAOYSA-N	301.434	3.193	10	20	DGCD	
C[C@H]1C[C@H](NCCNc2ccccn2)c2c(O)ccc(F)c21	756604878	GVBUVLHJDWCEQP-AAEUAGOBSA-N	301.365	3.176	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCSCC(C)C)c1	756775793	KLGKORZUNFXHNU-LBPRGKRZSA-N	311.447	3.219	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)[C@H](C)CC(C)C)cc1F	757852166	WYEITEVFEIKGAF-CYBMUJFWSA-N	310.413	3.164	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1ccoc1C(=O)OC	764339374	RWIBYHIFXHJIGZ-UHFFFAOYSA-N	316.401	3.154	10	20	DGCD	
CC(C)N(Cc1cccs1)Cc1cc2c(cc1O)OC[C@@H]2O	768442581	MBKHAUQWXQQPIZ-INIZCTEOSA-N	319.426	3.290	10	20	DGCD	
CCOc1cccc(CN(Cc2ccccc2)C[C@H](C)O)c1O	768893949	WHHIGSQRGBXWJG-HNNXBMFYSA-N	315.413	3.174	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(CO)CCCC2)cc1F	769935699	PAUWRBHZGCKIST-UHFFFAOYSA-N	308.441	3.314	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@H]1C[C@H](O)c1ccco1	770319735	BGCYEBNKSIWDPJ-BBRMVZONSA-N	317.385	3.082	10	20	DGCD	
COCCCOCCN(C)Cc1cc(C)cc(C(C)(C)C)c1O	773270342	GIMXFTXVOAWVCF-UHFFFAOYSA-N	323.477	3.483	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC(C)(C)CC(F)(F)F)c1O	775098033	PBACSEQTVFGGSH-UHFFFAOYSA-N	322.283	3.130	10	20	DGCD	
OC[C@@]1(NCc2cc(Cl)cc(F)c2O)CCc2ccccc21	776252742	XDOLTTJGUHGZKS-KRWDZBQOSA-N	321.779	3.108	10	20	DGCD	
C[C@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1	779510760	QSWUVWLZBCFVBR-QQBNSCQMSA-N	311.381	3.421	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)c3nccn3C)c2C)c1	788201061	PDHRISBJLBHIMP-UHFFFAOYSA-N	322.412	3.413	10	20	DGCD	
Cc1cc(Cl)cc(NC(=O)c2c(F)ccc(O)c2O)c1O	790070902	KYDOGOAJCIAAJZ-UHFFFAOYSA-N	311.696	3.157	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c(O)c1	792934978	BJFIMYPRNCAJIH-LALPHHSUSA-N	306.406	3.025	10	20	DGCD	
COc1cc(O)c(CNCCC2C[C@H](C)O[C@@H](C)C2)cc1OC	802659982	TZDMSOCCBHQAKI-STQMWFEESA-N	323.433	3.093	10	20	DGCD	
CON1CCC(N[C@@H](C)c2ccc(N3CCCCC3)cc2)CC1	817586479	OSRVOWJJFNILTG-INIZCTEOSA-N	317.477	3.353	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccnc(Cl)c1	817939890	CZZLFMAMADQPMA-BLLLJJGKSA-N	318.852	3.152	10	20	DGCD	
N[C@@H](CN[C@@H](CCc1ccccc1)c1ccccc1O)C1CC1	817965335	OQWWYBPTDNICTF-OALUTQOASA-N	310.441	3.393	10	20	DGCD	
Cc1cccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c1O	822530198	TVOHUINNIBVWOU-SFHVURJKSA-N	301.430	3.482	10	20	DGCD	
CC/C(C)=C/C(=O)NCc1ccc(N2CCSCC2)cc1	822586341	NSKAWEVKEQQPCB-WYMLVPIESA-N	304.459	3.212	10	20	DGCD	
Oc1c(Cl)cccc1CN[C@@H]1CCO[C@@H](c2ccncc2)C1	824955785	ZFQMYHTZHNFHJH-GDBMZVCRSA-N	318.804	3.451	10	20	DGCD	
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)Nc1ccc(N)cc1	841295578	BVCYYYKCXICKHD-DFBGVHRSSA-N	305.422	3.230	10	20	DGCD	
COc1ccc(CN2CCCc3cc(CN)ccc32)cc1F	843057917	YJJQUGCWUPRMKW-UHFFFAOYSA-N	300.377	3.246	10	20	DGCD	
C[C@]1(CNC(=O)NCc2cc(Cl)ccc2O)CCCS1	845046231	WUYFTODJRHCAKT-CQSZACIVSA-N	314.838	3.131	10	20	DGCD	
COc1cccc([C@H](C)NCCc2ccccc2[N+](=O)[O-])c1O	846144250	GQICSAIUGPXRQG-LBPRGKRZSA-N	316.357	3.202	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](C)c2c(F)cncc2F)c1O	846173237	QAJRRMLJFGCBBL-NXEZZACHSA-N	308.328	3.486	10	20	DGCD	
CC[C@H](C)n1nc(C(=O)NCc2cc(Cl)ccc2O)cc1C	846473214	KIKJKPGZMXRBGO-JTQLQIEISA-N	321.808	3.452	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C2CC2)c1	847696531	RHULCUXSGMBMIX-GFCCVEGCSA-N	311.381	3.336	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccnc(O)c2[N+](=O)[O-])cc1	853192260	GHIZNNHGXFNTCP-UHFFFAOYSA-N	316.361	3.154	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1	858537116	MNUHMHNGXMUHKN-GOEBONIOSA-N	302.418	3.326	10	20	DGCD	
CC(C)CO[C@@H](C)c1noc(CN(C)c2ccc(N)cc2)n1	863558677	SKELTIJVBIGOCP-LBPRGKRZSA-N	304.394	3.022	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1cc(F)cc(F)c1O	883003162	BITCPLYPCFWXIJ-UHFFFAOYSA-N	306.356	3.335	10	20	DGCD	
COc1ccc(CN[C@H](C)Cc2ccsc2)c(O)c1OC	892660831	WGOXYMFQJIWBRN-LLVKDONJSA-N	307.415	3.192	10	20	DGCD	
COc1ccc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)c(O)c1OC	893497352	ISSMPSIUICIPKO-CFVMTHIKSA-N	305.418	3.420	10	20	DGCD	
CN(C)c1ccc(/C=C\CN2CCC[C@H](CCC(=O)O)C2)cc1	901553527	LPVSYZJUXMKJHH-MAVJXHJTSA-N	316.445	3.343	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H]2C2OCCO2)cc1C(C)C	902623166	VEOBVPXRHDTXOA-INIZCTEOSA-N	305.418	3.161	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)C3(Cl)CC3)C2)cc1	926610913	GZCLWLVDHITRJH-KGLIPLIRSA-N	308.853	3.271	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](CC(C)C)C(=O)O)ccc21	1776875639	KUDFNZCCSNYBBP-INIZCTEOSA-N	304.434	3.048	10	20	DGCD	
Cc1ccc2c(CN(C)Cc3ccccc3O)cc(=O)oc2c1	109768843	YXMDOBWXGNIOLL-UHFFFAOYSA-N	309.365	3.439	10	20	DGCD	
CO[C@@](C)(CNCc1cccc(Br)c1O)C1CC1	311045852	PUNIBYGBDQCNPP-AWEZNQCLSA-N	314.223	3.059	10	20	DGCD	
CCOc1ccc(CNCc2cccc(OC)c2O)cc1F	106244029	CDDIFDNDZYHUPV-UHFFFAOYSA-N	305.349	3.228	10	20	DGCD	
CN(C)c1ccc(CNC[C@@](C)(O)c2ccc(F)cc2F)cc1	114509711	IDMHIQZZOTYEPP-GOSISDBHSA-N	320.383	3.028	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC[C@H]3C[C@H](C)O)c2c1	305274160	ZRMUCZXKQQXOJR-ZFWWWQNUSA-N	315.413	3.289	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCc2ccccc2C1	117499103	PZQJWMZYAWQYFH-OAHLLOKOSA-N	324.424	3.339	10	20	DGCD	
CCn1c(NC(=O)c2ccc(C)c(O)c2O)nc2ccccc21	177666369	OSCMRYWGXABUGQ-UHFFFAOYSA-N	311.341	3.028	10	20	DGCD	
COc1cccc(CN(C)Cc2ncc(C)c(OC)c2C)c1O	183784714	RFZFDJWTDYTSSF-UHFFFAOYSA-N	316.401	3.053	10	20	DGCD	
CCC(CC)C(=O)N1CCC(N[C@@H](C)c2ccccc2O)CC1	183431993	LXINAKUJMCFDGN-AWEZNQCLSA-N	318.461	3.470	10	20	DGCD	
C[C@@H](CCC1CC1)NCc1ccc(N2CCOCC2)c(F)c1	184566779	YYQCHAUAVVSFFD-AWEZNQCLSA-N	306.425	3.331	10	20	DGCD	
C[C@H](N[C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1O	185445271	GWUJUYTWSHUPNN-XDTLVQLUSA-N	314.223	3.109	10	20	DGCD	
CCOC1CC(CC(=O)NCc2ccc(N(CC)CC)cc2)C1	190381174	AWTBGTHEKVDCNW-UHFFFAOYSA-N	318.461	3.354	10	20	DGCD	
C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1c1ccccc1	237438926	DAAXGGGORCDQOE-BEFAXECRSA-N	308.425	3.464	10	20	DGCD	
C[C@H]1CN(C)c2ccccc2N(C(=O)/C=C\c2cccnc2)C1	255291003	ZLIZWKQDPIMNHL-KVPUOBJLSA-N	307.397	3.214	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@@H](Oc2ccncc2)C1	369462729	MAXNBPVTYRUQSL-CQSZACIVSA-N	304.777	3.094	10	20	DGCD	
Cc1ncc2c(n1)CC[C@@H](N[C@@H](C)c1ccc(C)c(C)c1O)C2	363870556	XSUZVUGLSXWQGQ-XJKSGUPXSA-N	311.429	3.316	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)c(O)c1	273405883	OJUCXYQBZZGBHK-CQSZACIVSA-N	312.413	3.253	10	20	DGCD	
C[C@@H](NC[C@H](O)CCc1ccccc1)c1ccc(F)c(F)c1O	276904125	JMNAULHAZZTKPP-TZMCWYRMSA-N	321.367	3.315	10	20	DGCD	
C[C@@H](NC[C@H]1OCCc2ccccc21)c1ccc(F)cc1O	371869687	JVXDHMHAIJTRGN-KZULUSFZSA-N	301.361	3.496	10	20	DGCD	
CCCOc1ccc(CN2CC[C@@H](O)C23CCCC3)c(O)c1	294067265	YHFXYVRNFBESAI-QGZVFWFLSA-N	305.418	3.060	10	20	DGCD	
CCOc1cccc(CN2CCN(C)Cc3ccccc32)c1O	816617886	KNWKZAYXWXNNTR-UHFFFAOYSA-N	312.413	3.243	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CC[C@H]3CNC[C@H]3C2)cc1	817984833	ASAYBCAGRJAFQQ-DZJNRPSUSA-N	301.478	3.181	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)NCC(C)(F)F)c2C)cc1	818258028	XIZPNUBNNZLYEE-UHFFFAOYSA-N	322.355	3.488	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(C3CC3)nn2C)cc1	823671764	VKGXPEHXYHHKDT-UHFFFAOYSA-N	312.461	3.434	10	20	DGCD	
Cc1cc(CO)cc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1	663370546	REBPDGAWYCAPQN-UHFFFAOYSA-N	320.396	3.052	10	20	DGCD	
Cc1ncc(CN(C)c2ccc(OCCN(C)C)cc2)s1	732410472	BFTUICKOXUAZIF-UHFFFAOYSA-N	305.447	3.028	10	20	DGCD	
CNC(=O)c1cccc(CN(CC2CC2)c2ccc(OC)cc2)c1	831587991	QEAMBWSRYZXYDN-UHFFFAOYSA-N	324.424	3.471	10	20	DGCD	
O=C(NCCc1ccc(F)cc1Cl)NCc1ccccc1O	733646205	PKOIBLVOBOPFIX-UHFFFAOYSA-N	322.767	3.227	10	20	DGCD	
CCCOC(=O)[C@@H](C)N(Cc1ccccc1O)C1CCCC1	741785046	NSDGUEGMOMHXHH-CQSZACIVSA-N	305.418	3.479	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)c2ccc(C)o2)c1	743335921	DCGMBSFWGKEMRO-NWDGAFQWSA-N	303.358	3.283	10	20	DGCD	
CC[C@H](NC(=O)NCc1cccc(OC)c1O)[C@H]1CC1(C)C	842190036	KTLOCMBHOSVIGN-OLZOCXBDSA-N	306.406	3.025	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1O	745876737	UTHIGBHMDPPZMI-KCQAQPDRSA-N	318.417	3.169	10	20	DGCD	
C[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O	841747690	DIGIWJSDWCEGHI-ZYHUDNBSSA-N	310.825	3.096	10	20	DGCD	
COCCN(Cc1ccc(C)nc1)c1ccc(OC)c(OC)c1	846827122	BCMBVEDMODVQAY-UHFFFAOYSA-N	316.401	3.060	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](CO)c1ccc(F)cc1	840961717	BUNKWCYAHWIYAD-KRWDZBQOSA-N	316.420	3.066	10	20	DGCD	
CCN(CC)CCOCCN[C@H](C)c1ccc(Cl)cc1O	841753183	KXCGXXMJSUOODM-CYBMUJFWSA-N	314.857	3.055	10	20	DGCD	
CCc1cccc(CN2CCC[C@@H](c3nc(C)no3)C2)c1O	848882612	VVSUVURMRQKRHZ-OAHLLOKOSA-N	301.390	3.026	10	20	DGCD	
NCCCN(Cc1ccccc1)Cc1cccc(Cl)c1O	843107220	CLUGJUBDFNVPNB-UHFFFAOYSA-N	304.821	3.397	10	20	DGCD	
CC[C@H]1CCCCN1CCN[C@H](C)c1cccc(OC)c1O	846144091	JMJMRFHYBMPDHY-CABCVRRESA-N	306.450	3.316	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H]1CCCN(C2CCC2)C1	841296486	TYOCZXLGGGSNRC-KGLIPLIRSA-N	316.449	3.043	10	20	DGCD	
CSCC1(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	844484348	DERZTYIQGLOFIM-CYBMUJFWSA-N	306.475	3.463	10	20	DGCD	
Cn1ccnc1[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1117644267	RJMGDURJKFXSJI-KRWDZBQOSA-N	310.445	3.010	10	20	DGCD	
CCCOc1ccc(CNC[C@H]2CCN(C3CC3)C2)cc1C	873012212	DHZPPOSNTHMXTK-QGZVFWFLSA-N	302.462	3.358	10	20	DGCD	
C[C@@H]1CCC[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1	877501197	MPZGSZZWERLCGF-WBVHZDCISA-N	302.462	3.174	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1ccc(Cl)nn1	877537163	HMLQMJGUUUMSRE-UHFFFAOYSA-N	303.793	3.482	10	20	DGCD	
CC(C)(C)CN(CCCO)Cc1cc(Cl)cc(F)c1O	775680231	FMNTYUOSOWRTCW-UHFFFAOYSA-N	303.805	3.415	10	20	DGCD	
CCN(C(=O)c1cccc2c1CCNC2)c1ccc(F)c(C)c1	877453799	HUKIUFOPXCEPDM-UHFFFAOYSA-N	312.388	3.447	10	20	DGCD	
COc1ccc2c(c1)CCCN2CCCNC(=O)OC(C)(C)C	775058351	XQOHOHTWKSYSLD-UHFFFAOYSA-N	320.433	3.363	10	20	DGCD	
Cc1cccc(O)c1CN(C)CCc1nc(-c2ccccc2)no1	877517034	KVUQEBVSWBFPKS-UHFFFAOYSA-N	323.396	3.425	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1	773018138	HNULCXCZCAMJOR-GFCCVEGCSA-N	318.367	3.451	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccsc2[nH]1	773749521	ALARYRKPVSWMMP-SECBINFHSA-N	316.382	3.002	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H]2CCC[C@H](C)C2)c1O	774836639	UDDUOTWLWUGDRA-AAEUAGOBSA-N	308.378	3.320	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@@H](C)c1c(O)cccc1F	886587936	IMETYTWDLLCPTI-QWHCGFSZSA-N	307.365	3.423	10	20	DGCD	
Cc1c(Cl)cccc1C(=O)OCC(=O)c1ccc(O)c(O)c1	787077512	JMNHVBLAXOTFHY-UHFFFAOYSA-N	320.728	3.099	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)C[C@H](C)O	783630836	KZURZIXLLWKUJX-GWCFXTLKSA-N	306.431	3.045	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1nccc(OC)c1OC	789306131	NYEBVHHYBILRDU-UHFFFAOYSA-N	314.385	3.060	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CC1CCN(C)CC1	891631091	MRUDLQJTULQKSH-UHFFFAOYSA-N	303.494	3.305	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@@H](C)CC(C)(C)C)cc1C	1134797913	VSFQCNQAJSVISX-HNNXBMFYSA-N	320.477	3.282	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCOC[C@H]1c1ccc(F)cc1	894915624	VFDGSMOSVGNFRC-INIZCTEOSA-N	323.314	3.383	10	20	DGCD	
CC[C@@H](NC[C@H]1CSCCS1)c1ccc(F)cc1O	796792330	GSNGEZHYDYMVES-WCQYABFASA-N	301.452	3.421	10	20	DGCD	
Cc1ccc(O)c(CNCc2noc(-c3ccccc3C)n2)c1	792175424	SNDNBGKKNXBRGP-UHFFFAOYSA-N	309.369	3.349	10	20	DGCD	
CCOc1cccc(CN[C@H](C)CC(=O)OC(C)(C)C)c1O	1319943803	FCMNXNPPASJUEI-GFCCVEGCSA-N	309.406	3.001	10	20	DGCD	
CC[C@@H](C)[C@H](C)C(=O)NCCCNCc1ccc(OC)c(C)c1	1169401281	RSSQEIZTZRSMJJ-ZBFHGGJFSA-N	320.477	3.282	10	20	DGCD	
CC[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1323290837	KFMRPYCOCLONBD-INIZCTEOSA-N	319.468	3.200	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1O	1327704493	ZZILYNYAMVNRFZ-RDJZCZTQSA-N	319.445	3.490	10	20	DGCD	
CC[C@H](N[C@@H](C)CCCO)c1cc(Br)ccc1O	94942158	NHSOQRQQGJKQRB-GWCFXTLKSA-N	316.239	3.356	10	20	DGCD	
COc1ccc(C(C)(C)CNCc2ccc(N)cc2)cc1OC	1337838211	KNRLNGLMXGQSDG-UHFFFAOYSA-N	314.429	3.353	10	20	DGCD	
CC[C@@H](C)n1nccc1C(=O)NCCCSc1nccs1	1346433075	RPWDXNHEDPMWQE-LLVKDONJSA-N	324.475	3.223	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](C(=O)O)CC1	1595891509	VPQIOEKTSNGARL-HDJSIYSDSA-N	319.401	3.022	10	20	DGCD	
Cc1nc(Cl)ccc1C(=O)NCc1ccc(N(C)C)cc1	151957180	VAELYFYWERFFOL-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1	159005323	BRKQTIBWPQBOFZ-MNOVXSKESA-N	317.307	3.083	10	20	DGCD	
CC[C@H](CCO)NC(=O)c1sccc1-n1c(C)ccc1C	159066867	FPVBVSDEWGQGRP-CYBMUJFWSA-N	306.431	3.046	10	20	DGCD	
CCCN(Cc1nc(C(C)(C)C)no1)Cc1ccccc1O	68973677	WTYODQFFTYTZNM-UHFFFAOYSA-N	303.406	3.485	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2ccccc2C)cc1OC	140290939	XYQXINIOUBNLKB-UHFFFAOYSA-N	314.385	3.087	10	20	DGCD	
CNC(=O)c1cccc(NCc2cccc(Cl)c2O)c1C	158037611	ZPIRMEOPGCUVNZ-UHFFFAOYSA-N	304.777	3.326	10	20	DGCD	
CCOC(=O)C[C@H]1CCCN1Cc1c(O)ccc2ccccc12	165048380	YNCATTKFEWRDBZ-OAHLLOKOSA-N	313.397	3.463	10	20	DGCD	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	180612225	LZMUWIGFKXUZPG-YCGNWBHESA-N	315.344	3.470	10	20	DGCD	
Cc1c(C#N)cccc1NCc1ccc(N2CCOCC2)cc1	181449672	HADPWWYSDAYJQM-UHFFFAOYSA-N	307.397	3.315	10	20	DGCD	
COCCCOCCN(C)Cc1ccc(N2CCCCC2)cc1	181521070	GRWWMKVTTRTAPN-UHFFFAOYSA-N	320.477	3.162	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(O)c(OC)c1	268103849	XOONHRCHUAXING-UHFFFAOYSA-N	315.369	3.159	10	20	DGCD	
CC[C@@H](NC[C@@H](O)c1ccc(OC)cc1)c1ccc(C)cc1O	280048445	JKUUSQJABUWPSY-IEBWSBKVSA-N	315.413	3.484	10	20	DGCD	
CC[C@H](NCc1ncccc1N(C)C)c1ccc(N(C)C)cc1	289879939	RZOCGACWSIVFOM-KRWDZBQOSA-N	312.461	3.455	10	20	DGCD	
C[C@H](CO)N(C)Cc1ccc(N(C)Cc2cccs2)cc1	296115445	SSMOOGJQKWYJMD-CQSZACIVSA-N	304.459	3.197	10	20	DGCD	
Cc1cc(NCc2ccc(N3CCSCC3)cc2)nc(C)n1	301068769	GGEIWZHUNFXGTM-UHFFFAOYSA-N	314.458	3.259	10	20	DGCD	
Cc1occc1-c1nnc(NCc2c(C)c3ccccc3n2C)o1	344229781	YJTQNFLJSPUWSV-UHFFFAOYSA-N	322.368	4.050	10	20	DGCD	
Cc1c(CNC(=O)CCc2cncs2)n(C)c2ccccc12	352079320	IQFYHUXOQCOMCS-UHFFFAOYSA-N	313.426	3.192	10	20	DGCD	
CN1Cc2ccccc2[C@H](NCc2cccc(Cl)c2O)C1	359900221	OMEOPGLIIGSKSC-MRXNPFEDSA-N	302.805	3.322	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC([C@H]2CCOC2)CC1	365268606	ZDXUIGDYOPTUFI-LBPRGKRZSA-N	313.800	3.433	10	20	DGCD	
Cc1ccc(C(=O)N2Cc3cccc(Cl)c3C2)c(O)c1O	366155180	GXPMTVKYSQWGFQ-UHFFFAOYSA-N	303.745	3.216	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)C2(C)CCOCC2)C2CC2)cc1	726751363	KKNWAMMYSLBSBX-UHFFFAOYSA-N	316.445	3.060	10	20	DGCD	
Cc1noc([C@@H](C)NCc2ccc(N3CCCCC3)cc2)n1	729683968	IEGWGPPVHSRKTB-CYBMUJFWSA-N	300.406	3.219	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCCO[C@H](c2ccccc2)C1	732288357	QNTKCJYKECPUOX-AWEZNQCLSA-N	303.383	3.058	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@H]1CCC[C@H](C)C1	734406712	ZJPWDYHCOJSDBO-KSSFIOAISA-N	318.461	3.273	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1Cc2ccccc21	743717682	VNOUJOIILLKFJW-QGZVFWFLSA-N	307.393	3.227	10	20	DGCD	
C[C@H](N[C@H](CO)CC(F)(F)F)c1cc2c(cc1O)CCCC2	756774377	CKSOZRDQFXFGEC-GWCFXTLKSA-N	317.351	3.235	10	20	DGCD	
CCc1ccc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1	768437966	LOHDTICFSOIXGA-SFHVURJKSA-N	313.397	3.012	10	20	DGCD	
C[C@H](NCC(F)(F)C(F)F)c1ccc(N2CCOCC2)cc1	775254511	JRRWAVUKGIWQNM-NSHDSACASA-N	320.330	3.074	10	20	DGCD	
CCC(=O)N1CC[C@@H](N[C@@H](CC)c2cc(Cl)ccc2O)C1	775513118	GGHNFVAXLKWBAY-OCCSQVGLSA-N	310.825	3.097	10	20	DGCD	
CC(C)[C@@H]1CCN1C(=O)NCc1ccc2c(c1)CCCN2C	776041418	LMASQHYGTSRCKS-INIZCTEOSA-N	301.434	3.009	10	20	DGCD	
CCOc1ccc(CNc2cnccc2-n2cc(C)cn2)c(O)c1	776253502	XANLVJZNMKANKB-UHFFFAOYSA-N	324.384	3.292	10	20	DGCD	
CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cccc(F)c1O	778519621	JPLALLVAYOBYLQ-AWEZNQCLSA-N	306.724	3.381	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC=CO1	780731968	CSPUPEFINLFJMV-OAHLLOKOSA-N	304.390	3.007	10	20	DGCD	
COc1ccc(N(C)C[C@H](C)NC(=O)OC(C)(C)C)c(OC)c1	785482305	WMTQAVVZMQNJJS-LBPRGKRZSA-N	324.421	3.053	10	20	DGCD	
Cc1nc(C)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1	788020450	QNNNJBAOLTVXOS-MRXNPFEDSA-N	316.401	3.178	10	20	DGCD	
COC(=O)[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1	815069492	UXPDMIGYJXAJMS-GOSISDBHSA-N	312.413	3.065	10	20	DGCD	
C[C@@]1(CNCc2cc(Cl)c(F)cc2O)CCO[C@H]1C1CC1	816570773	HDYWWVKFYIQLJU-HOTGVXAUSA-N	313.800	3.480	10	20	DGCD	
CON1CCC(N[C@H](C)c2ccc(N3CCCCC3)cc2)CC1	817586480	OSRVOWJJFNILTG-MRXNPFEDSA-N	317.477	3.353	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c1	817940795	HSXVBHSSCKEOEE-RDTXWAMCSA-N	313.445	3.117	10	20	DGCD	
CC[C@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)C1CC1	822572313	KIUDRKQSMZGJDL-KRWDZBQOSA-N	303.450	3.473	10	20	DGCD	
Cc1cc(CN2C[C@@H](O)C(C)(C)C2)ccc1N1CCCCC1	829326718	CLJVBKREMXPZSP-GOSISDBHSA-N	302.462	3.188	10	20	DGCD	
Nc1ccc(CC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	831133199	SSSNOMDGOBHQKT-QWHCGFSZSA-N	314.351	3.296	10	20	DGCD	
COc1ccc(N(CC2CC2)C[C@@H](O)CC(F)(F)F)cc1	831587806	MHRZKHSTLBZTQV-ZDUSSCGKSA-N	303.324	3.225	10	20	DGCD	
COc1ccc(N(CCCc2nc(C)no2)CC2CC2)cc1	831588260	VAXIKAWTOSIQJS-UHFFFAOYSA-N	301.390	3.236	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(F)cc2C(=O)O)cc1F	832378108	DMETWQUOOWVEAM-UHFFFAOYSA-N	307.296	3.308	10	20	DGCD	
OC[C@@H](CN[C@@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1	834802979	HPUAYENINLTAJJ-GDBMZVCRSA-N	317.816	3.399	10	20	DGCD	
C[C@@H](NC[C@@H](O)C1CCC1)c1ccc(N2CCCCC2)cc1	834906423	QPBHQLGDMGEDKQ-DNVCBOLYSA-N	302.462	3.489	10	20	DGCD	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)C1	841295555	BENYLJSHOOGAGC-ZFVVBOAOSA-N	317.433	3.062	10	20	DGCD	
COCC1(CN[C@@H](C)c2ccc(Cl)cc2O)CCOCC1	841757967	QHJBCJMCYSHYLH-LBPRGKRZSA-N	313.825	3.139	10	20	DGCD	
CCC[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841788085	RHAJDQMFVVBAQF-RDJZCZTQSA-N	303.450	3.469	10	20	DGCD	
Cc1cccc2nc(CCN[C@H]3CCc4cccc(O)c43)cn12	842932936	LLFPHSAUWRQQMT-INIZCTEOSA-N	307.397	3.168	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC([C@H]2CCNC2)CC1	843125881	BLHOIQUPNAPKOO-LBPRGKRZSA-N	312.816	3.006	10	20	DGCD	
CCCCCCN(C)Cc1nc(Cc2ccc(N)cc2)no1	843159600	BVURGQSKMJEHSW-UHFFFAOYSA-N	302.422	3.255	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccnc(OC(F)F)c2)c1O	846167921	ODRVQJLCEMUBKZ-SNVBAGLBSA-N	324.327	3.248	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](CCC(=O)O)C2)ccc1N(C)C	846281754	QRDOUFWBNULVLV-HNNXBMFYSA-N	304.434	3.138	10	20	DGCD	
COCCOCc1ccc(NCc2cc(C)ccc2O)cc1	858298182	NZHNYOAUGSBYMW-UHFFFAOYSA-N	301.386	3.476	10	20	DGCD	
CCN(C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)C1CC1	858303275	TZKSHBBAJHTOER-UHFFFAOYSA-N	324.424	3.460	10	20	DGCD	
CC(C)CCOC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	858918600	XTLOQDYLTHHONU-HNNXBMFYSA-N	320.433	3.357	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2ccccn2)CC1	865027170	ISTCFNOGOBOWTM-UHFFFAOYSA-N	323.440	3.228	10	20	DGCD	
C[C@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(N)cc1	868063080	YCJWOODIIOVGKY-CYBMUJFWSA-N	300.377	3.293	10	20	DGCD	
CC(C)n1cc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)cn1	868244019	QJFVMNZDFQICFU-QWHCGFSZSA-N	316.405	3.291	10	20	DGCD	
Cc1cccc(O)c1CNc1cc(F)cc(N2CCOCC2)c1	876855851	DPHRVJQPMWHZGB-UHFFFAOYSA-N	316.376	3.288	10	20	DGCD	
Cc1cccc(CNC[C@@H](O)Cc2cccc(Cl)c2)c1O	877810987	CIYQIZFVUQZXDF-INIZCTEOSA-N	305.805	3.047	10	20	DGCD	
COc1ccc(CN2CC(C)(CC(F)(F)F)C2)c(O)c1OC	894843646	OEYDIWDVISFDEZ-UHFFFAOYSA-N	319.323	3.184	10	20	DGCD	
CC(C)(N)CCNCc1ccc(OCc2ccccc2)cc1O	903938747	IXVBGYFRADNGCI-UHFFFAOYSA-N	314.429	3.188	10	20	DGCD	
COc1cc([C@@H](C)NCc2ccc(N3CCCC3)cc2)on1	924646323	AJGJGZWEXXTEFF-CYBMUJFWSA-N	301.390	3.134	10	20	DGCD	
C/C=C(/C)C(=O)N1CCC[C@H]1CNCc1ccc(OC)c(C)c1	1044986756	SEESYWZKVSGWDA-UOJXKXAVSA-N	316.445	3.050	10	20	DGCD	
Cn1ncc2ccc(CNCc3ccc(N4CCCC4)cc3)cc21	1261213282	DQFNSLRVVZTSKT-UHFFFAOYSA-N	320.440	3.463	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2ccsc2)c1	1348099940	NNGQFEOGDHRZMW-LBPRGKRZSA-N	304.415	3.193	10	20	DGCD	
O=C(O)[C@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1	1356022020	CTQCGFIMFZFTLW-IBGZPJMESA-N	324.424	3.072	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1cc(C(=O)O)ccc1O	1593299874	XIKLTCRLLZQWJV-LBPRGKRZSA-N	314.385	3.007	10	20	DGCD	
O=C(Nc1cc(F)c(Cl)c(C(=O)O)c1)c1cc(O)cs1	1608503811	XLMHRTACBFPLMX-UHFFFAOYSA-N	315.709	3.197	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)C2)c1O	73831906	XYXPZPWCWYQTQR-CHWSQXEVSA-N	306.406	3.026	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cn1	78627244	PDMUEVUAVVGIRD-UHFFFAOYSA-N	317.820	3.208	10	20	DGCD	
Cc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)ccn1	78892712	GYMQMGZZHVSQRY-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnn2C(C)C)c1	103503224	LSHFHLOVSQOGKT-NSHDSACASA-N	318.377	3.061	10	20	DGCD	
C[C@@H]1Oc2ccc(NCc3ccc(N(C)C)cc3)cc2NC1=O	121694551	LQFAOFFVEWCOAM-LBPRGKRZSA-N	311.385	3.084	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(F)cc2C)c1	155478239	UWWXYSLUZOQASC-NSHDSACASA-N	303.333	3.339	10	20	DGCD	
Cc1ccc(/C=C2/SC(=S)NC2=O)cc1Br	162478537	YZGDKPWWXYDCAY-WEVVVXLNSA-N	314.229	3.246	10	20	DGCD	
CC[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)c1nc(C)cs1	179516446	HAQFKFADNQZUCR-MRXNPFEDSA-N	320.414	3.226	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(F)cc1	181219699	BDNWOQAUVMARSD-UHFFFAOYSA-N	315.348	3.323	10	20	DGCD	
C[C@H](NCCNC(=O)CC1CCCCC1)c1ccccc1O	183604354	FJMYGKAPJGYVKN-AWEZNQCLSA-N	304.434	3.129	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C[C@H]3CCC[C@@H]3C)CC2)cc1	184605844	QUHPGFFGGXOAPN-JKSUJKDBSA-N	316.445	3.170	10	20	DGCD	
COc1ccc(COCCN[C@H](C)c2cc(F)ccc2O)cc1	185861571	KLQZCXPUDYCLJS-CYBMUJFWSA-N	319.376	3.407	10	20	DGCD	
CSC1(CN[C@@H](C)c2ccc(F)c(F)c2O)CCOCC1	187789836	JZWWCBKHACGQMD-JTQLQIEISA-N	317.401	3.233	10	20	DGCD	
Cc1cc(-n2cccn2)ccc1NC(=O)c1ccc(C)c(O)c1O	191461204	VDFOIVSNIOMTEU-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
C[C@H]1C[C@H](CNCc2cc(Br)ccc2O)CCO1	271461866	JXFYGUGXIGMMHU-WDEREUQCSA-N	314.223	3.059	10	20	DGCD	
CCOc1cccc(CN[C@H]2CCO[C@@H](CC(C)C)C2)c1O	271952681	DUPLMPYMSGRTRC-HOTGVXAUSA-N	307.434	3.474	10	20	DGCD	
CCn1cc([C@@H](C)NCc2cc(Br)ccc2O)cn1	294746560	CSIQLPXVAMERSQ-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCc1nnc2ccccn12	323914138	GSRFIUGLPJUKOG-ZIAGYGMSSA-N	322.412	3.124	10	20	DGCD	
CCOCc1cc(CNCc2cccnc2C)ccc1OC	527790009	IKGDYIZMDFTFFB-UHFFFAOYSA-N	300.402	3.225	10	20	DGCD	
CO[C@@H](Cc1ccc(F)cc1)CN(C)Cc1ccccc1O	528420338	UQMNDRLJPVNTLF-KRWDZBQOSA-N	303.377	3.221	10	20	DGCD	
COc1ccc([C@H](NCc2cc(F)ccc2O)C2CC2)cn1	529687487	FBEBIVKJQLRWMF-QGZVFWFLSA-N	302.349	3.176	10	20	DGCD	
CO[C@@H]1CCCN(Cc2ccc(Br)cc2O)CC1	691682473	PMRMCHPPHQWNQC-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)CCOC)cc1	725868792	YWKDSOKUSAOIEQ-OAHLLOKOSA-N	321.465	3.099	10	20	DGCD	
CC(C)COc1ccc(NC(=O)NCc2ccccc2O)cn1	735174739	RXVVPTNPPXJNFS-UHFFFAOYSA-N	315.373	3.144	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc(CC[C@H](C)O)cc1	738966090	PRJYEDUDKRNFQX-NSHDSACASA-N	304.342	3.179	10	20	DGCD	
O=C(O)[C@H](NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1	739498682	COGXTZCMMVEOPB-MRXNPFEDSA-N	317.772	3.190	10	20	DGCD	
Cc1cc(C(=O)CN(C)c2cnn(C)c2)c(C)n1-c1ccccc1	754669294	XTHHCGPGBZIFNK-UHFFFAOYSA-N	322.412	3.147	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cc(Br)ccc2O)n[nH]1	756587071	YWEAOAUKYSZORS-VIFPVBQESA-N	310.195	3.037	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1cc2c(cc1O)CCCC2)C(F)(F)F	756835500	NJMZZDJXSVRUQT-BONVTDFDSA-N	317.351	3.499	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CC[C@H]3SCCS[C@H]23)cc1C	762611068	CIVGFUWKBYWDLE-FVQBIDKESA-N	309.500	3.478	10	20	DGCD	
C[C@@H]1SCCN(Cc2cc(Br)ccc2O)[C@@H]1C	769447028	RLYCYXKKQUFTJO-ZJUUUORDSA-N	316.264	3.481	10	20	DGCD	
CCOCCN(C)Cc1c(O)ccc2oc3c(c12)CCCC3	771635372	HKSPOKGRTFNCJT-UHFFFAOYSA-N	303.402	3.486	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N(C)C	773042482	BDENFTURTNEEPZ-HZPDHXFCSA-N	317.477	3.194	10	20	DGCD	
C[C@@H](NC(=O)NC[C@H]1CCCCS1)c1ccc(N(C)C)cc1	773626116	MFXKRLTVMREBLA-CZUORRHYSA-N	321.490	3.399	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@H](C(C)C)N2CCOCC2)c(O)c1	788509760	ZRPNMYALFTVWBU-SJORKVTESA-N	320.477	3.016	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(C)cc2F)c(O)c1	797607446	YXQYDUVTLPLABR-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(O)cs1)N(C)C	807491712	ADSRFQUZTUABJE-MLGOLLRUSA-N	318.442	3.183	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H]1COc2ccccc21	808450794	AMQDXXBFWYTEDQ-SNVBAGLBSA-N	307.752	3.451	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NC[C@@](C)(O)C(F)(F)F)c1O	808708570	NHHFOJZAXVZSFM-QPUJVOFHSA-N	311.731	3.318	10	20	DGCD	
COc1cccc(CNCc2ccnn2-c2ccccc2C)c1O	809740028	YKJKPNLMOKQPJV-UHFFFAOYSA-N	323.396	3.185	10	20	DGCD	
CC[C@@H](NCCCN(C)C)c1ccc(C(F)(F)F)cc1O	810208567	WLYMYJQEEYQKNZ-CYBMUJFWSA-N	304.356	3.403	10	20	DGCD	
COc1cc(C)cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O	811792602	PZOIYQDOJFRWNA-CRAIPNDOSA-N	317.429	3.243	10	20	DGCD	
CC[C@@H](N[C@@H]1CCCNC1)c1ccc(C(F)(F)F)cc1O	817941892	SVYIAVYWXXFMHL-DGCLKSJQSA-N	302.340	3.204	10	20	DGCD	
C[C@H](NCC1=CCNCC1)c1ccc(N2CCCCC2)c(F)c1	817968065	NZSNURLUFYVMKJ-HNNXBMFYSA-N	317.452	3.386	10	20	DGCD	
CCC1(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1	819584727	PPDRFMMMBIPGGD-HNNXBMFYSA-N	316.445	3.218	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)CCC3CCC3)C2)cc1	819585546	YSZDBFJKJZKLRI-MRXNPFEDSA-N	316.445	3.218	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)c(Cl)cc1O	834907597	XGZDMWWHOFBXDW-XHNCKOQMSA-N	317.216	3.004	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCC(C)(C)CC1	836781669	OETOXGAKVHARKR-GFCCVEGCSA-N	303.402	3.282	10	20	DGCD	
C[C@H]1CCC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	839146526	KVDYOLXEDDGVLC-BLLLJJGKSA-N	310.388	3.080	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H]2[C@H]2CCCOC2)c1O	842612571	JVFAPCDLSDNEMI-HOCLYGCPSA-N	305.418	3.100	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccn1	848225241	FIBAHRAUOBPOAW-MRXNPFEDSA-N	323.440	3.492	10	20	DGCD	
CCc1cccc(CN2C[C@H](CC)N(C(C)=O)C[C@H]2CC)c1O	848887871	GXJQCMCYTUKYBP-MSOLQXFVSA-N	318.461	3.176	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1F	862228183	MVBWNQBSJPEOIG-GFCCVEGCSA-N	320.387	3.134	10	20	DGCD	
COC1CCN(c2ccc(Cn3ccnc3C3CC3)cc2)CC1	863385064	ICVVWKUOUIBTNZ-UHFFFAOYSA-N	311.429	3.424	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CCC2(O)CCC2)cc1	864636409	JCGRVRRIJFJRDW-UHFFFAOYSA-N	318.461	3.186	10	20	DGCD	
O=C(O)[C@H](CC1CC1)NCc1ccc(N2CCCCC2)cc1	871882551	MAIMIDRKGISNIQ-KRWDZBQOSA-N	302.418	3.020	10	20	DGCD	
CCCOc1ccc(CNCc2ccc(C(N)=O)cc2)cc1C	873007679	ZOGMDTHHOVPPKO-UHFFFAOYSA-N	312.413	3.173	10	20	DGCD	
Cc1cccc(O)c1CN1CCOC[C@H]1c1ccc(F)cc1	877571436	ZCCIQHUTBOJQEQ-KRWDZBQOSA-N	301.361	3.413	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1c(O)cccc1F	886556936	NOHHCYSUANTGTP-APPDUMDISA-N	307.340	3.229	10	20	DGCD	
COc1cc(C)cc(CNCc2c(C)cc(C)nc2OC)c1O	894221337	ONJVRVODEOSULC-UHFFFAOYSA-N	316.401	3.019	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCO2)c1nc(C(=O)O)cs1	900040296	GXRSQBOAKHBJSN-JTQLQIEISA-N	318.398	3.017	10	20	DGCD	
C[C@H]1C[C@H](N[C@@H]2Cc3ccccc3[C@H]2O)c2c(O)ccc(F)c21	903441155	YGNKJFQXSIWOHS-VGQSVSGKSA-N	313.372	3.328	10	20	DGCD	
NCc1ccccc1NC(=O)NCc1ccc(N2CCCC2)cc1	904665382	NLJXJQJZXIJMAI-UHFFFAOYSA-N	324.428	3.067	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C2(C3CCCCC3)CC2)c1	907059597	JVHOTWIZJFCZPN-UHFFFAOYSA-N	303.402	3.378	10	20	DGCD	
CC(C)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)s1	934938610	GXLKLTAIQZUQIT-UHFFFAOYSA-N	319.426	3.330	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](F)Cc1ccccc1	935948471	MWMBQHXUOQBWRU-CQSZACIVSA-N	322.376	3.075	10	20	DGCD	
C/C=C(\C)C(=O)N1CCC[C@H]1CNCc1ccc(OC)c(C)c1	1044986755	SEESYWZKVSGWDA-ANQFXYINSA-N	316.445	3.050	10	20	DGCD	
COc1cc(N2CCCC(F)(F)CC2)c([N+](=O)[O-])cc1OC	1329758027	CJCADGWIKBURJZ-UHFFFAOYSA-N	316.304	3.238	10	20	DGCD	
O=C(NC1CC1)[C@H]1CCCN(Cc2ccc3ccccc3c2O)C1	1330432730	RMMSEZCTHAZZBC-INIZCTEOSA-N	324.424	3.036	10	20	DGCD	
Nc1ccc(CNC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1	1346738603	IIQLNWSWAMZKAS-QGZVFWFLSA-N	309.413	3.043	10	20	DGCD	
C[C@H]1CCC[C@]1(NCc1ccc(N2CCCCC2)cc1)C(=O)O	1776639735	XJLBKZMKNPVIRN-HNAYVOBHSA-N	316.445	3.410	10	20	DGCD	
COc1ccc(NC(=O)[C@@H](C)Sc2nccs2)cc1OC	52914150	JJRLHHDVDJEPNG-SECBINFHSA-N	324.427	3.280	10	20	DGCD	
COc1cccc(CNC(=O)CSc2ccc(C)cc2)c1O	68488817	JNQFNWIXWHGPKS-UHFFFAOYSA-N	317.410	3.118	10	20	DGCD	
Cn1c(CNCc2cc(Cl)ccc2O)nc2ccccc21	76272610	UAMYNCGNUWJJEH-UHFFFAOYSA-N	301.777	3.222	10	20	DGCD	
CC(C)(NCc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1	76901873	YGYRDBYIXCRIDH-UHFFFAOYSA-N	304.321	3.464	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1scnc1C(C)(C)C	80066318	HBWWWBIFLRGMHK-UHFFFAOYSA-N	304.415	3.418	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@@H]1OC	80484869	HMFYSSXPAUGNRB-RDJZCZTQSA-N	320.433	3.271	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(C)c(C)cc2O)cc1O	92404940	REDIQYLIVVZFFS-UHFFFAOYSA-N	301.386	3.355	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)Cc1c[nH]nc1C	93866986	COCRJOUHSODIDE-UHFFFAOYSA-N	324.222	3.208	10	20	DGCD	
COc1ccc(N(C)CCOc2ccccc2OC)cc1F	121769000	PUFFQBFJDHCWBC-UHFFFAOYSA-N	305.349	3.358	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)c(C)cc2F)c1	136747274	NGVMQDZMNVOMTN-SNVBAGLBSA-N	321.323	3.478	10	20	DGCD	
Cc1cccnc1CN[C@H](C)c1ccc(N2CCOCC2)cc1	154616532	IMWSPAMPHZENCI-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
CC(C)=CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	158079610	BDSCAHXYDSHPPT-HNNXBMFYSA-N	322.836	3.092	10	20	DGCD	
COc1cc(CN(C)C[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1	164460706	HFNZUVZDDNPUDK-ZDUSSCGKSA-N	307.434	3.167	10	20	DGCD	
CCc1ccc([C@@H]2COCCN2Cc2cccc(C)c2O)o1	180289362	YZZHKDLCFIHFMH-INIZCTEOSA-N	301.386	3.430	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(OC(F)F)c1	180935357	GKUILNYXCKSATO-FNORWQNLSA-N	321.279	3.351	10	20	DGCD	
Cc1cccc([C@@H](O)CN[C@H](C)c2ccc(F)c(F)c2O)c1	187798255	HFQZIYWHHRVICV-ABAIWWIYSA-N	307.340	3.363	10	20	DGCD	
C[C@H](O)[C@@](C)(CNCc1cc(F)ccc1O)Cc1ccccc1	191779946	LODLQQOSYBKLOF-IFXJQAMLSA-N	317.404	3.251	10	20	DGCD	
COCC[C@](C)(O)CN[C@H](C)c1cc(Cl)c(Cl)cc1O	192871859	IPGWHEZEPPLAFU-OTYXRUKQSA-N	322.232	3.137	10	20	DGCD	
C[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	193369304	KRMBLZNCYQUMSF-DZGCQCFKSA-N	318.442	3.202	10	20	DGCD	
COc1cccc(CNc2cnc(Br)c(C)c2)c1O	228837416	AECFIPUVMUQNOH-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
Nc1ccc(CC(=O)Nc2cccc(OC(F)(F)F)c2)cc1	238119845	LRSFMOXROBFZAL-UHFFFAOYSA-N	310.275	3.349	10	20	DGCD	
CC(C)(C)c1nc(CC(=O)NCc2ccccc2O)cs1	263790447	XOSWUAQCXGIKDK-UHFFFAOYSA-N	304.415	3.005	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCSC1	267286712	HZSMDEPKHOERDL-HNNXBMFYSA-N	321.490	3.180	10	20	DGCD	
C[C@](O)(CNCc1cccc(Cl)c1O)c1ccc(F)cc1	271801710	JBOTYVGKNHNZBL-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1	273116094	NXBOHSATVQYDOZ-JXMROGBWSA-N	309.413	3.128	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)OCCO3)c1	273462716	QSILMWDKBZCZAE-LLVKDONJSA-N	301.342	3.345	10	20	DGCD	
CCC1(CNCc2cc(Cl)cc(OC)c2O)CCOCC1	273746472	MURFJCFIARWSKD-UHFFFAOYSA-N	313.825	3.351	10	20	DGCD	
CC[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(C)cc1O	280239236	VWUVIIJXFKJHEB-CQSZACIVSA-N	308.422	3.266	10	20	DGCD	
CC(C)SCCN[C@@H](C)c1ccc(N2CCOCC2)cc1	283268370	WNCWRAODBNDHPH-HNNXBMFYSA-N	308.491	3.315	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2=C(C)OCCS2)cc1	287067168	HDHLGABLUWLKEI-UHFFFAOYSA-N	320.458	3.144	10	20	DGCD	
CC(=O)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cs1	292628296	AUTVDPHTAFLZRI-UHFFFAOYSA-N	316.426	3.289	10	20	DGCD	
COc1ccc(N(C[C@H]2CCNC(=O)CC2)[C@H](C)C2CC2)cc1	295019510	UPZDQRRTIMTWAU-HUUCEWRRSA-N	316.445	3.216	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CCC3)cc1F	302952966	DTHXCDGAAVJGAF-UHFFFAOYSA-N	312.388	3.310	10	20	DGCD	
Cc1c(CNCc2nn(C)c(C)c2Cl)n(C)c2ccccc12	421396637	RHYRFQQIKQFKAG-UHFFFAOYSA-N	316.836	3.472	10	20	DGCD	
Cc1c(CNC(=O)Cc2ccccc2F)n(C)c2ccccc12	471224398	OJTCLXNDENRIPE-UHFFFAOYSA-N	310.372	3.485	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](c2ccc(OC)nc2)C2CC2)c1	529687523	FVCCMFWTPITQFT-GOSISDBHSA-N	314.385	3.045	10	20	DGCD	
Cn1c2c(c3cc(OCC(=O)N4CCCC4)ccc31)CCCC2	647164418	USOCPYNLLPKRCE-UHFFFAOYSA-N	312.413	3.058	10	20	DGCD	
CO[C@@]1(C)CCCN(Cc2c(O)cccc2Br)C1	707146314	NBHKGFPIMAFEKW-AWEZNQCLSA-N	314.223	3.156	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN1CCC(F)CC1	715803667	ICYRWZUBACNJHQ-UHFFFAOYSA-N	306.150	3.228	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2cccs2)c1	728983747	DWDOJJJDLWQJSF-NSHDSACASA-N	305.399	3.272	10	20	DGCD	
Cc1cccc(NNC(=S)Nc2ccc3c(c2)OCO3)c1	735233909	WKGBSYPVBZMGKT-UHFFFAOYSA-N	301.371	3.037	10	20	DGCD	
CC1CCC(NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1	742368112	UEXZBHQGHURSLS-UHFFFAOYSA-N	320.452	3.455	10	20	DGCD	
COc1ccccc1OCCN[C@@H](C)c1cc(F)ccc1O	756374204	YWAAHVPSUXUJJW-LBPRGKRZSA-N	305.349	3.270	10	20	DGCD	
C[C@@H](NCc1cocn1)c1cc(Br)c(F)cc1O	756831232	MLEHMDYTTHCSIJ-SSDOTTSWSA-N	315.142	3.133	10	20	DGCD	
CC[C@H]1CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	765287483	QBJFQPUBHUHTRW-YJBOKZPZSA-N	320.452	3.455	10	20	DGCD	
C[C@@H](NC1CCN(CC(F)F)CC1)c1ccc(N(C)C)cc1	765505232	UYCBWRPEFFPFTA-CYBMUJFWSA-N	311.420	3.133	10	20	DGCD	
CCN1CCN(c2ccc(CN[C@@H](C)C(C)C)cc2F)CC1	765850721	ARVDPEKSXXHIIM-HNNXBMFYSA-N	307.457	3.102	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@H](C)CC2)c1O	775106817	KHWKKYZRDXMAEG-WCQYABFASA-N	308.378	3.367	10	20	DGCD	
CCN(CC)c1ccc(CNC2(CO)CCCCC2)cc1F	776497524	JEJYWAYSUYLMQX-UHFFFAOYSA-N	308.441	3.457	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC(F)(F)c1ccccc1	789859945	BSIDGARBQVFJHB-CLFYSBASSA-N	319.307	3.019	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](F)CC2CCCCC2)c(O)c1	794373875	NWXHVXSBRPZJSF-HNNXBMFYSA-N	309.381	3.326	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]c2cccnc12	798172347	PMMMTSKYQPCHEZ-UHFFFAOYSA-N	321.380	3.077	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1C(=O)CCC1(C)C	808142099	KPJOUPNPZONPTR-UHFFFAOYSA-N	317.477	3.322	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccn2ccnc2c1	810228088	ARLCROFMWYVBQT-UHFFFAOYSA-N	323.400	3.030	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@H](OC)C2)cc1	814405890	HSUIVWZDYXIISU-WMZOPIPTSA-N	318.461	3.354	10	20	DGCD	
C[C@@H](NC[C@H](CO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O	815648715	UONAJKBKEHYNHE-TZMCWYRMSA-N	322.405	3.140	10	20	DGCD	
C[C@H]1CCCN([C@H](C)CNCc2cc(Cl)c(F)cc2O)C1	816535587	UERVCOSLMZZDCS-NWDGAFQWSA-N	314.832	3.395	10	20	DGCD	
CNCCCN[C@H](C)c1cc(Br)cc(Cl)c1O	817939352	DJEQMUDERCQJBI-MRVPVSSYSA-N	321.646	3.068	10	20	DGCD	
Cc1cc(CN2C[C@H]3CCN(C)[C@H]3C2)ccc1N1CCCCC1	831728308	FXELKCSBXMKBOW-QUCCMNQESA-N	313.489	3.121	10	20	DGCD	
COc1ccc(O)c(CN2CC(Cc3ccc(F)cc3)C2)c1	839134414	JAFHGYIVBAVBIL-UHFFFAOYSA-N	301.361	3.214	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccco2)c(C)n1-c1ccccn1	839924484	IRABYVBPGVUAQT-HZPDHXFCSA-N	321.380	3.368	10	20	DGCD	
COc1cc(C)cc(CN2CC(C)(C)[C@@H]2c2nccn2C)c1O	840110291	XPOSXGBDEGGZLF-INIZCTEOSA-N	315.417	3.026	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C\c1cccnc1	840558559	ZDMFWENYXJBESV-BJIFSAINSA-N	323.440	3.217	10	20	DGCD	
O=C(O)[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	840997445	KBSAEFCWKZMZOG-QGZVFWFLSA-N	302.418	3.116	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1O	842886596	SQBMXTRIQKZHOL-ZIAGYGMSSA-N	324.852	3.486	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]([C@@H]3CCCNC3)C2)c(O)c1	843127917	UPWILJXLWVHZHM-CVEARBPZSA-N	318.461	3.003	10	20	DGCD	
CNC(=O)CC1(CN[C@@H](C)c2ccc(F)cc2O)CCCCC1	850556601	ROMICEKUPDMGOQ-ZDUSSCGKSA-N	322.424	3.269	10	20	DGCD	
CN(Cc1cccnc1C(F)(F)F)c1ccc2c(c1)OCO2	859206276	KBWBEMXCIVPDHU-UHFFFAOYSA-N	310.275	3.466	10	20	DGCD	
CSc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)co1	865054769	VBZHYVNVWJRJLN-UHFFFAOYSA-N	316.426	3.314	10	20	DGCD	
C[C@@H](NC(=O)c1nc[nH]c1C(C)(C)C)c1ccc(N(C)C)cc1	867504688	YJYXZRMRMRTPKN-GFCCVEGCSA-N	314.433	3.264	10	20	DGCD	
Cc1ccc(CNc2cccc(CS(C)(=O)=O)c2C)c(O)c1	876827630	VADWYAKMWMVPLK-UHFFFAOYSA-N	319.426	3.166	10	20	DGCD	
OC1CCN(c2ccc(CN3C[C@H]4CCC[C@@H](C4)C3)cc2)CC1	877515942	UQMKFSZKAFVQBB-ROUUACIJSA-N	314.473	3.270	10	20	DGCD	
CC(C)(O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	877795851	XVJYBFLGVGQZOQ-NSHDSACASA-N	301.789	3.168	10	20	DGCD	
COc1ccc(CNCCSc2ccccc2)c(O)c1OC	892451678	AYTZOSVGNRPJQG-UHFFFAOYSA-N	319.426	3.291	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCO[C@@H](c2ccccc2)C1	893919185	HYDKWKNLJHMRQX-MRXNPFEDSA-N	305.324	3.244	10	20	DGCD	
CCOc1ncc(C)cc1NCc1ccc(OC)c(OC)c1O	894666361	BUJUARHGSJWYCN-UHFFFAOYSA-N	318.373	3.124	10	20	DGCD	
CC1=NO[C@@H](CNCc2ccc(N(C)C)cc2C(F)(F)F)C1	895305603	UTAKKBZEMJJOCB-CYBMUJFWSA-N	315.339	3.026	10	20	DGCD	
Cc1cc(O)c(CNCCOC2CCSCC2)cc1Cl	898435028	SDRCLHPFAHSXPC-UHFFFAOYSA-N	315.866	3.356	10	20	DGCD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(O)cc1O	910950467	FTTLFJDTRXLVSQ-PVUWLOKVSA-N	321.417	3.088	10	20	DGCD	
CS[C@@H]1CC[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C1	1116211568	JQLOPLNBDYCZRJ-UONOGXRCSA-N	311.422	3.450	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCCN1CCCCC1=O	1116585288	WLZRCMFHLVFCRD-GJZGRUSLSA-N	316.445	3.241	10	20	DGCD	
CN(C)[C@H]1CCCC[C@@H]1NCc1cc(Cl)c(F)cc1O	1117720973	IIFPPHMNXYCZBK-KBPBESRZSA-N	300.805	3.147	10	20	DGCD	
CC[C@H](NC(=O)Cc1ccc(N)cc1)c1cc(F)ccc1OC	1122258147	MMAGIYIZDJLYAR-INIZCTEOSA-N	316.376	3.227	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)[C@H](C)CC)CC2)cc1	1323606066	VZVCXHMTRSFBHK-HZPDHXFCSA-N	318.461	3.416	10	20	DGCD	
COc1cc(CN[C@@H]2CC[C@@H](OC)C2)c(O)c(C(C)(C)C)c1	1333306566	DOVVWOGLXCLMIK-ZIAGYGMSSA-N	307.434	3.355	10	20	DGCD	
CN(Cc1ccc(N)cc1)Cc1cnn(Cc2ccccc2)c1	1578489902	UMWAQQRHVYAMSS-UHFFFAOYSA-N	306.413	3.146	10	20	DGCD	
CCN1CCCc2cc(CN[C@H]3CC[C@H](C(=O)O)CC3)ccc21	1776876368	JXPDYYUUESBWGP-JCNLHEQBSA-N	316.445	3.192	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)CC[C@@H](C)O)c2C)c1	177462132	IURSYPKCNHGRQK-OAHLLOKOSA-N	314.429	3.245	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@H](C)SC)cc1F	119693817	FXYUDGDJGLVFOB-LBPRGKRZSA-N	312.454	3.430	10	20	DGCD	
CN(Cc1cc(F)cc2c1OCOC2)c1ccc2c(c1)OCO2	178881729	CMXOFACXJQLAKE-UHFFFAOYSA-N	317.316	3.057	10	20	DGCD	
CC(C)(C)OC(=O)NC1CCN(Cc2cc(F)ccc2O)CC1	179934592	LWMTZMZMPXYWHT-UHFFFAOYSA-N	324.396	3.020	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N(C)c2ccc(N(C)C)cc2)s1	112245589	SOJAEWSMPZCQFM-MDZDMXLPSA-N	301.415	3.194	10	20	DGCD	
COC(=O)[C@]1(C)CCN(Cc2cc(C(C)C)c(C)cc2O)C1	177224925	BGRGNHNCPIMCMZ-GOSISDBHSA-N	305.418	3.209	10	20	DGCD	
CN(C)c1ccc(CNc2nc(N)c3ccccc3n2)cc1F	301796600	AKXCUDCRSRTRHJ-UHFFFAOYSA-N	311.364	3.029	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCc2cnn(C)c2)c1O	187048958	CRYYYLWBQBSHLG-JTQLQIEISA-N	324.222	3.047	10	20	DGCD	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c(C)o1	183110497	QNUPFTVXSCTSOZ-UHFFFAOYSA-N	324.383	3.414	10	20	DGCD	
Cc1c(Cl)cccc1NC(=O)NCCc1ccc(O)c(O)c1	128464557	RZHSVOZIWYNESF-UHFFFAOYSA-N	320.776	3.424	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2ccc(F)cc2Cl)c1	125925943	ZOCZMJUIRKENLU-UHFFFAOYSA-N	323.751	3.052	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ccc([S@](C)=O)cc2)c1	186094617	ZMQJCNWMFPZOPS-ZSEKCTLFSA-N	303.427	3.289	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2C[C@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1	323778020	ZJLOOBHHCLWESZ-FZBZROKSSA-N	316.357	3.319	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)C1=Cc2ccccc2CC1	193982324	FHNFEYXMHZHVLL-UHFFFAOYSA-N	301.367	3.121	10	20	DGCD	
CO[C@@H]1C[C@H](NCc2cccc(Br)c2O)C1(C)C	227830043	CDVGKJBIKDFXNC-NWDGAFQWSA-N	314.223	3.058	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2ccc(F)cc2Cl)cc1	132761577	XXSCNAIIIBOGSI-UHFFFAOYSA-N	320.795	3.404	10	20	DGCD	
Cn1cc([C@H]2CSCCN2Cc2cc(Cl)ccc2O)cn1	191738016	VHRPJFWXRGEOPB-CQSZACIVSA-N	323.849	3.069	10	20	DGCD	
Cc1cccc(NC2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1	237745272	FLXHWRBETOBETN-UHFFFAOYSA-N	323.440	3.223	10	20	DGCD	
CCCCOc1cccc(CNC(=O)Cc2ccc(N)cc2)c1	236711422	CVHSTTYORFNXFM-UHFFFAOYSA-N	312.413	3.307	10	20	DGCD	
C[C@H](C1CC1)N(Cc1ccc(N2CCOCC2)cc1)C1CC1	92009594	NAUYQBIPJMYYCS-OAHLLOKOSA-N	300.446	3.286	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1	246463132	PZMFVWRQQKRFOC-YRNRMSPPSA-N	312.457	3.395	10	20	DGCD	
CC[C@@]1(C)CN(Cc2c(O)cccc2Br)CCO1	862337117	RBDOHABIFQCQOB-AWEZNQCLSA-N	314.223	3.156	10	20	DGCD	
COc1cccc(CNCc2csc(C(C)(C)C)n2)c1O	263735259	ZANIKXIRDKOZMV-UHFFFAOYSA-N	306.431	3.445	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O	274820821	BPDHMGWGJHJJIB-ZWKOTPCHSA-N	324.424	3.234	10	20	DGCD	
C[C@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O	273427531	UQCMOPPVOFCQLN-JSGCOSHPSA-N	321.367	3.172	10	20	DGCD	
Cn1cc([C@@H](NCc2ccc3c(c2)CCO3)c2ccccc2)cn1	374644290	GXTFWWHKWPNXHA-FQEVSTJZSA-N	319.408	3.234	10	20	DGCD	
CCCC[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	277299721	MWUJVBGLCSTTEB-QGZVFWFLSA-N	304.434	3.410	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)c1	800519785	VNNNTAZDOCPPBC-MNOVXSKESA-N	313.344	3.404	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCC(C)(C)OC	802205216	PNKOVSUUTCFEFA-UHFFFAOYSA-N	308.422	3.129	10	20	DGCD	
Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(F)c1	387943998	FSKYFOXPCUGSQV-UHFFFAOYSA-N	300.377	3.472	10	20	DGCD	
CC1CCN(c2ccc(CNCC3(O)CCCC3)cc2)CC1	819038894	KPVBSXBRGFMSHR-UHFFFAOYSA-N	302.462	3.318	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc(C)c(C)c1O	815633512	PVHRBJUOLKXDHT-HIFRSBDPSA-N	306.450	3.212	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCC2(F)F)c1	825737325	ZHTSZDMAJWGZSP-GWCFXTLKSA-N	313.344	3.404	10	20	DGCD	
Cc1cc(CN2CC[C@@H](CN(C)C)C2)ccc1N1CCCCC1	827813531	UDPPZQNGDYGSHO-IBGZPJMESA-N	315.505	3.369	10	20	DGCD	
CC[C@H](C)[C@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)OC	824597323	QXLUIFOZTGKXJY-ZANVPECISA-N	316.785	3.105	10	20	DGCD	
CC(C)CN(Cc1ccccn1)Cc1cc2c(cc1O)OCO2	905745929	QDOATLPYUMNTIQ-UHFFFAOYSA-N	314.385	3.174	10	20	DGCD	
Cc1ccc([C@@H]2C[C@H]2NC(=O)N(C)Cc2ccccc2O)cc1	827789187	ZQEKJSALLMRKJN-DLBZAZTESA-N	310.397	3.398	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cccc2c1CCNC2	903873676	KBEXYEADTIWZLW-UHFFFAOYSA-N	309.457	3.030	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cc(C)cs2)c1	834882048	DHZFSIAODZSYGM-LLVKDONJSA-N	305.399	3.400	10	20	DGCD	
CN(Cc1cc(F)ccc1F)c1ccc(OCC(=O)O)cc1	833694721	YVJQTMCOCPWACE-UHFFFAOYSA-N	307.296	3.065	10	20	DGCD	
O=C(O)C1CCC(NCc2ccc(N3CCCCC3)cc2)CC1	739563855	XXBSORYWUDFNDF-UHFFFAOYSA-N	316.445	3.410	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCN(C(C)C)C2)c1O	832779518	ZNGOPAAESZRYKD-HNNXBMFYSA-N	324.852	3.163	10	20	DGCD	
CCOc1ccc(CN[C@@](C)(CO)C2CCCCC2)c(O)c1	740014068	LXQIQIDZXMEONY-SFHVURJKSA-N	307.434	3.212	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)c1ccco1	741678740	XHEQFYNVPUDXDY-CQSZACIVSA-N	300.402	3.498	10	20	DGCD	
N[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1c1cccc(F)c1	841103008	CPROUDBIRSZNLB-JKSUJKDBSA-N	320.795	3.111	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCN(C)[C@@H](C)C1	840892564	BANNPEGDYXNGQR-BQFCYCMXSA-N	303.494	3.064	10	20	DGCD	
CCCCN1CCC(N[C@H](C)c2cccc(OC)c2O)CC1	846142012	QMKQEIGVILKLEX-CQSZACIVSA-N	306.450	3.316	10	20	DGCD	
CCc1noc(C2CCC(NCCc3ccc(N)cc3)CC2)n1	841034733	JTJVDNCKFCQDAK-UHFFFAOYSA-N	314.433	3.073	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc3c(c2)OCCO3)c1O	846135562	DOUFKHRVIWGLGL-LBPRGKRZSA-N	315.369	3.023	10	20	DGCD	
c1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)C2CC2)nc1	922585704	NTRDAIWANAYFKS-FQEVSTJZSA-N	323.440	3.159	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@H](O)CCc1ccccc1	753596045	QWLQTHZPHZUBAP-OAHLLOKOSA-N	323.795	3.268	10	20	DGCD	
CC(C)(C)CN(CC(=O)O)Cc1c(O)ccc(Cl)c1F	854243981	KCBBOABXDBKVBZ-UHFFFAOYSA-N	303.761	3.117	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCc2ccon2)c1	754384793	FRNVKLZCKAQKKD-UHFFFAOYSA-N	323.396	3.363	10	20	DGCD	
CCOC(=O)c1cnc(SCc2ccc3c(c2)OCO3)s1	853564186	LPUDEETVQCOVSJ-UHFFFAOYSA-N	323.395	3.341	10	20	DGCD	
Cc1cc(CN[C@H](C)c2ccc(Br)cc2O)ncn1	756777097	UTZTXHSARCUCGW-SNVBAGLBSA-N	322.206	3.104	10	20	DGCD	
CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N(CC)CC)cc2)O1	756916765	INVNFPNITXXKEF-IAGOWNOFSA-N	304.434	3.107	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(F)nn1	865418675	NIWLARWZDQOSBF-UHFFFAOYSA-N	300.381	3.242	10	20	DGCD	
CCC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccc(OC)c(C)c2)C1	1036321601	CTRBYAHGYISEFU-NVXWUHKLSA-N	318.461	3.130	10	20	DGCD	
CC[C@@H](OC1CCCCC1)C(=O)NCc1cc(C)ccc1O	862757761	DIDGUIDATPQFFF-QGZVFWFLSA-N	305.418	3.445	10	20	DGCD	
CCN(C(=O)CN[C@H](C)c1ccccc1O)C1CCCCC1	879647428	BXLXLBZSUMNEQJ-CQSZACIVSA-N	304.434	3.224	10	20	DGCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](c2ccccc2)C1=O	761580438	UEKSSSAIWOXGRX-DYVFJYSZSA-N	323.396	3.107	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2cccnc12	773763667	XRMXMVISFPOUHW-LBPRGKRZSA-N	322.364	3.007	10	20	DGCD	
Cc1cccc(O)c1CN1CCC(Oc2ncccc2F)CC1	877483781	PKVCCNFBGJONKT-UHFFFAOYSA-N	316.376	3.278	10	20	DGCD	
CCN(C)c1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)cc1	773810859	CEEZGXOAADTIGD-UHFFFAOYSA-N	319.493	3.173	10	20	DGCD	
Cn1ccnc1[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	775190223	NXQJKPFWKDJBSJ-LLVKDONJSA-N	323.799	3.298	10	20	DGCD	
C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1	775663847	FHCTYSUPFBYFAJ-QGZVFWFLSA-N	301.478	3.060	10	20	DGCD	
CCOc1ccc(O)c(CNCc2ccnc(SC)c2)c1	771883753	ZKMSMNAIDJTAJU-UHFFFAOYSA-N	304.415	3.198	10	20	DGCD	
CCCC[C@H](COC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773305963	LSSGIPWECQPHIX-GOEBONIOSA-N	321.465	3.318	10	20	DGCD	
CC[C@@H](N[C@H](CCO)C(F)(F)F)c1cccc(Cl)c1O	886804438	XZKACGFODWOSLS-GHMZBOCLSA-N	311.731	3.400	10	20	DGCD	
C[C@H](NCc1noc(C(C)(C)C)n1)c1ccc(N(C)C)cc1	777584586	SPCDCZUNKDKXPA-LBPRGKRZSA-N	302.422	3.284	10	20	DGCD	
C[C@@H](NC(=O)c1scnc1Cl)c1ccc(N(C)C)cc1	773019503	YAFXXAYBZCXAIG-SECBINFHSA-N	309.822	3.354	10	20	DGCD	
CCC(C)(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774480462	CCYIKESFWSLIGM-KBPBESRZSA-N	305.466	3.097	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC2C(C)(C)C2(C)C)c1O	793371146	CMNYBSPPIGXCCV-UHFFFAOYSA-N	308.378	3.081	10	20	DGCD	
COc1ccc(CNC(=O)c2cccc3ccc(C)nc23)c(O)c1	794372728	CQZAIEMNKIXIMT-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(Cl)cn1	792446768	DTWBLZAFPVYPAA-WXGCRTCVSA-N	318.760	3.037	10	20	DGCD	
Cc1cc[nH]c1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	797866559	VUWXXSUFQBATMP-UHFFFAOYSA-N	311.429	3.489	10	20	DGCD	
CCC[C@H](CNCc1ccc(Br)cc1O)OC	701189918	CKWUAUKETMBKGX-GFCCVEGCSA-N	302.212	3.059	10	20	DGCD	
Oc1ccc(CCNc2nc(C(F)(F)F)cs2)cc1O	301777091	RIUKOJOBEDTVEK-UHFFFAOYSA-N	304.293	3.228	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ncnn1C(C)(C)C	1321374420	ZWUINKOVNVTKRH-STQMWFEESA-N	314.433	3.385	10	20	DGCD	
Cc1cccc(CNC[C@H]2CCN(Cc3ccccc3)C2)c1O	192927299	QPWZGIRNNVAHEI-GOSISDBHSA-N	310.441	3.312	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2cc(C)oc2C)c1	1331297904	QVCKNZBKNNHFRE-GFCCVEGCSA-N	302.374	3.471	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CCCCC1	1358105624	RJRMRQXAOBKYPZ-UHFFFAOYSA-N	306.435	3.359	10	20	DGCD	
CCc1oc(CN[C@@H](C)c2cc(OC)ccc2O)cc1C(=O)O	1605891829	IQJHPZFCZGCCHN-JTQLQIEISA-N	319.357	3.105	10	20	DGCD	
CC(C)(C(=O)O)[C@@H](NCc1cc(F)ccc1O)c1ccccc1	1589601206	ISLBQPSJHRDFOK-INIZCTEOSA-N	317.360	3.473	10	20	DGCD	
CCN(C)c1ccc(CN2CCCC[C@@H]2CCC(=O)O)cc1	1589715616	XAAWOHDTJRYFDU-QGZVFWFLSA-N	304.434	3.362	10	20	DGCD	
C[C@@H](NCc1ccccc1CC(=O)O)c1ccc(N(C)C)cc1	1593305617	YLLRKNMZBXZGID-CQSZACIVSA-N	312.413	3.231	10	20	DGCD	
CCN(CCC(=O)OC)Cc1cc(OC)cc(C(C)(C)C)c1O	164360875	ZHRCMNOVXJNADL-UHFFFAOYSA-N	323.433	3.083	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCC(Cn2ccnn2)CC1	157030741	QZRBWABHHGZJHK-UHFFFAOYSA-N	322.412	3.049	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H]2CCCCS2)c1O	228677825	FXTVVIYKBGMGTK-LBPRGKRZSA-N	301.839	3.430	10	20	DGCD	
CN(Cc1c(O)ccc2oc3c(c12)CCCC3)C[C@H]1CCOC1	176093842	RDDNPKVCDYWHDA-CYBMUJFWSA-N	315.413	3.486	10	20	DGCD	
Cc1cccc(CN2CCN(c3ccc(Cl)cn3)CC2)c1O	179679876	KKYFAQZYAWZNNR-UHFFFAOYSA-N	317.820	3.071	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1CCOc2ccc(Cl)cc21	172683843	TWAHLNOFFCSXKD-ZZXKWVIFSA-N	300.745	3.174	10	20	DGCD	
Cc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1N(C)C	179423876	PMCIYTNPOSVFRI-UHFFFAOYSA-N	300.358	3.033	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc(C)oc2C)c(O)c1OC	1355242457	BCPSTJFVDGXPKE-NSHDSACASA-N	305.374	3.470	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H](N3CCCC3)C2)c1	170729202	ADXALNQFJLXNGU-MRXNPFEDSA-N	318.461	3.065	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)CC[C@H](C)O)c1C	125838598	XCQJLFBBSZPFTQ-HNNXBMFYSA-N	314.429	3.245	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)c2nc(C3CC3)no2)c1	182345844	ORZIKWFKTQTREK-NXEZZACHSA-N	303.362	3.073	10	20	DGCD	
CCn1nccc1CN1CCCc2cc(OC(F)F)ccc21	184748376	MMGVOTZVDICKKJ-UHFFFAOYSA-N	307.344	3.457	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H]2CCC[C@H](C)C2)c1O	73831912	XYXPZPWCWYQTQR-QWHCGFSZSA-N	306.406	3.026	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCc2ccco2)cc1	79390020	SEQDSOKSUPQXAK-UHFFFAOYSA-N	300.402	3.375	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H]2COC3(CCCCC3)O2)c(O)c1	186230583	QHAKACTYUQWQKB-HUUCEWRRSA-N	305.418	3.427	10	20	DGCD	
O=C1/C(=C\c2csnn2)SC(=S)N1c1ccc(F)cc1	44024105	DRJOICUGDUIUDL-BJMVGYQFSA-N	323.399	3.083	10	20	DGCD	
CCN(Cc1cc(Cl)cc(C(C)=O)c1O)C[C@H]1CCCO1	48965245	NMNAJLJBDWHLQU-CQSZACIVSA-N	311.809	3.249	10	20	DGCD	
C[C@@H](NCCc1ccccn1)c1cc(Br)ccc1O	181006903	PJVLIFUORZSZPJ-LLVKDONJSA-N	321.218	3.443	10	20	DGCD	
CC[C@@H](N[C@H]1CCC[C@@H]1O)c1cc(Br)ccc1O	186280370	WFPQHQSIFIYBKO-DYEKYZERSA-N	314.223	3.109	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1coc(-c2ccccc2)n1	130525868	OGELPMFOKDYUEQ-UHFFFAOYSA-N	308.337	3.319	10	20	DGCD	
COc1cccc([C@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1	194389726	ODANDTPOPHGWPK-AWEZNQCLSA-N	312.413	3.181	10	20	DGCD	
Cc1csc(=O)n1CCN(C)c1ccc(OC(C)C)cc1	191581274	ARZYRCKPYGZEDK-UHFFFAOYSA-N	306.431	3.142	10	20	DGCD	
COC[C@@H](C)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	195698511	FYOZKRGDWLHWNF-AWEZNQCLSA-N	314.429	3.415	10	20	DGCD	
COC(=O)c1cnc(SC[C@H](OC)c2ccccc2)s1	295374108	SONAGSXLSFCINR-NSHDSACASA-N	309.412	3.410	10	20	DGCD	
CC(C)c1nc(/C=C\c2ccc3c(c2)CCN3C)ncc1C(=O)O	255634361	BPYHECYIPJRQGX-ALCCZGGFSA-N	323.396	3.461	10	20	DGCD	
Cc1c(CNCc2ccc3c(c2)nnn3C)n(C)c2ccccc12	355129890	XKKQUSSFAKIHMI-UHFFFAOYSA-N	319.412	3.058	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H]1CCCCO1	272044855	CWXXTTLTYACMAT-RHSMWYFYSA-N	320.433	3.271	10	20	DGCD	
Cc1cc(Cl)nc(CNC(=O)N(C)Cc2ccccc2O)c1	282146089	GMJFACTXQWZFRS-UHFFFAOYSA-N	319.792	3.091	10	20	DGCD	
OC[C@H]1CN(Cc2cccc(Cl)c2O)CC[C@H]1C(F)(F)F	289957452	YYYDQEVZSMEBOI-GHMZBOCLSA-N	323.742	3.038	10	20	DGCD	
CCc1nc([C@H](C)N[C@H](C)c2cc(Cl)cc(C)c2O)n[nH]1	808710220	MWDCCOLTWNPQCY-ZJUUUORDSA-N	308.813	3.446	10	20	DGCD	
CC(=O)Nc1ccc(CCN[C@H]2CCc3cccc(O)c32)cc1	297839324	SGLWEJCCPOGJLF-KRWDZBQOSA-N	310.397	3.170	10	20	DGCD	
CO[C@@H](C)CN(C)Cc1ccc(OCc2ccccc2)cc1O	809717379	GYZXLMUPQHAQIT-HNNXBMFYSA-N	315.413	3.438	10	20	DGCD	
CN(C)CCN(Cc1ccc(F)cc1)Cc1ccccc1O	809736202	JRZHYYXZHNZTJZ-UHFFFAOYSA-N	302.393	3.095	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCCCN2CCCC2)c1	293836849	XNKXTYWHQOXUQA-HNNXBMFYSA-N	306.450	3.318	10	20	DGCD	
COc1cc(Cl)cc(CNCCCc2ncccc2C)c1O	295029843	NUQGZKSBVZIEDP-UHFFFAOYSA-N	320.820	3.480	10	20	DGCD	
O=C(Nc1ccc(OC(F)F)cc1F)c1cccc(O)c1O	801547499	PUMVXAVQONPKFY-UHFFFAOYSA-N	313.231	3.091	10	20	DGCD	
CC[C@@H](c1ccncc1)N(C)Cc1cc(OC)c(OC)cc1O	290375718	HUUZFJUPHUVNAW-HNNXBMFYSA-N	316.401	3.388	10	20	DGCD	
Cc1cccnc1CNC(=O)NCc1c(C)c2ccccc2n1C	471822753	BOZNOUULCYLFNJ-UHFFFAOYSA-N	322.412	3.190	10	20	DGCD	
CC(C)[C@@H](CO)CNCc1ccc(N(C)C)cc1C(F)(F)F	808421349	DFVIAIRJXZBUPK-CYBMUJFWSA-N	318.383	3.126	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccc(N(C)CC)cc1	815632419	MPMBSQPCWZTYFU-HZPDHXFCSA-N	319.493	3.346	10	20	DGCD	
CO[C@@H](C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	812347849	PFNZCSAQFNVQRV-OCCSQVGLSA-N	318.392	3.386	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)[C@H](C)COC)cc1	812453771	TUQZDKCBLNKIEX-CVEARBPZSA-N	320.477	3.410	10	20	DGCD	
CCCC[C@@H](CN)N[C@H](C)c1cc(Br)ccc1O	817961681	CGVNXSPYRLWYEF-PWSUYJOCSA-N	315.255	3.323	10	20	DGCD	
Cc1ccc(C(=O)NC[C@H](c2ccccc2)C2CC2)c(O)c1O	817090116	ZYMXQANTCCIZLM-MRXNPFEDSA-N	311.381	3.330	10	20	DGCD	
C[C@@H](N[C@@H]1CCCC[C@H]1O)c1cccc(C(F)(F)F)c1O	815617373	LYFYOKCYXBNCON-OASPWFOLSA-N	303.324	3.365	10	20	DGCD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2c(F)ccc(O)c2O)C1	823887636	MIXPDFKJJPCQSF-DYZYQPBXSA-N	307.365	3.278	10	20	DGCD	
O=[N+]([O-])c1cc(CN2CC[C@@H]3C[C@H]3C2)ccc1N1CCCCC1	827507010	RBJFPPPUDLILIG-CVEARBPZSA-N	315.417	3.427	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N(C)c1cnc2ccccc2n1	493118910	GAZIBTDMAQMILF-BQYQJAHWSA-N	310.382	3.071	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(C)=O)s2)c1	728979008	AZZUOHTUULOVQX-VIFPVBQESA-N	319.382	3.156	10	20	DGCD	
Cc1ccc(CSCCNC(=O)c2cc(O)cs2)cc1	731864454	VPQXCWFUMBQTHZ-UHFFFAOYSA-N	307.440	3.425	10	20	DGCD	
CC(C)[C@H]1CN(C)CCN1Cc1cc(C(C)(C)C)cc(O)c1O	738285881	QDXSTYFTHXWTFJ-MRXNPFEDSA-N	320.477	3.167	10	20	DGCD	
Cc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1CN(C)C	838279581	KIBHFROOVSOJAY-UHFFFAOYSA-N	314.385	3.029	10	20	DGCD	
CC[C@@H](N[C@@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1O	834915067	PNDUHFGESSQNRU-JHJVBQTASA-N	303.324	3.365	10	20	DGCD	
COc1cccc(CN[C@H]2C[C@H](OC(C)(C)C)C2(C)C)c1O	839191413	JLEULXPCJTYJDT-GJZGRUSLSA-N	307.434	3.473	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN[C@H]2CCNC2)cc1	841045329	TVCINUKAZMBEEW-IBGZPJMESA-N	309.457	3.165	10	20	DGCD	
C[C@@H](NC1CCC2(CC1)OCCO2)c1ccc(Cl)cc1O	841745767	SSGADGWUONCWDU-LLVKDONJSA-N	311.809	3.382	10	20	DGCD	
Cc1ccccc1C[C@@H](C)NC(=O)NCCc1ccc(N)cc1	841718398	QRODIKAFIPQARQ-OAHLLOKOSA-N	311.429	3.050	10	20	DGCD	
Cc1ccc(N2CCC[C@@H](N(C)Cc3ccccc3O)C2=O)cc1	744403362	YNOXZRCUWNMMIF-GOSISDBHSA-N	324.424	3.328	10	20	DGCD	
CCOc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)c(O)c1	840956100	AWWBLKDFEPLMET-AEFFLSMTSA-N	313.397	3.099	10	20	DGCD	
Nc1ccc(NC(=O)NCc2ccccc2N2CCCC2)cc1	841297524	SAZLHCACXUHBEA-UHFFFAOYSA-N	310.401	3.191	10	20	DGCD	
CN(C)c1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1	743719496	CNXNFANEBOIVDW-UHFFFAOYSA-N	324.424	3.267	10	20	DGCD	
c1cc2c(cc1CNC[C@H]1CCCN(CC3CC3)C1)CCCO2	922268368	FCNKFSIOFDZRMF-GOSISDBHSA-N	314.473	3.223	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)c2nccn21	858171767	CQDCJOPLTZEZDX-YGRLFVJLSA-N	306.360	3.023	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(-n2cnnc2)c1	924573673	JHBREUBFCWZQKT-OAHLLOKOSA-N	321.428	3.184	10	20	DGCD	
O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1cc(O)cs1	855546495	RPCNXILVOCMPNB-CQSZACIVSA-N	303.383	3.466	10	20	DGCD	
CN(C)c1cc(F)c(CNCCCc2nccs2)cc1F	858141827	ROADOPVKDXCYTL-UHFFFAOYSA-N	311.401	3.210	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC[C@@H](C3CCCCC3)C2)cc1	851662217	CNZWHXMENQYMJG-QGZVFWFLSA-N	315.461	3.423	10	20	DGCD	
CCOc1cccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)c1	751536561	ZEOIQFCYOVGKIA-LBPRGKRZSA-N	315.369	3.296	10	20	DGCD	
C[C@H]1CC[C@](CNCc2ccc(N(C)C)cc2)(CC(=O)O)C1	756312508	QVHGZZXBKNOUNM-KBXCAEBGSA-N	304.434	3.123	10	20	DGCD	
CCC[C@H]1C(=O)NCCN1Cc1cc(-c2ccccc2)ccc1O	769514728	LCRSLHOQURYWTD-SFHVURJKSA-N	324.424	3.160	10	20	DGCD	
CC[C@@]1(C)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769519062	IGFYAESYLFGDJX-SFHVURJKSA-N	306.425	3.284	10	20	DGCD	
CCOc1ccc(CN(C)CC[C@H]2CCCCN2C)c(O)c1	769483182	NPJMSJCKLSFAPY-MRXNPFEDSA-N	306.450	3.097	10	20	DGCD	
CC(C)CNC(=O)C1CCN(Cc2c(O)cccc2Cl)CC1	768228799	JXOJLSBHGOPXFR-UHFFFAOYSA-N	324.852	3.030	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H](c1ccco1)N1CCCC1	876887587	BHPIELGYUXGCEL-MRXNPFEDSA-N	300.402	3.220	10	20	DGCD	
Cc1cccc(CN2CCN(CCc3ccccc3)CC2)c1O	775644625	LIXDHLNFLCSTTB-UHFFFAOYSA-N	310.441	3.061	10	20	DGCD	
Cc1ccc(N2CCOCC2)cc1NCc1c(C)cccc1O	877494222	MJBQZYYGAOSNGV-UHFFFAOYSA-N	312.413	3.458	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)COC2(C)CCC2)cc1	773037243	NNJPDSAXEIDPPG-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
CC[C@]1(C)CCCN(c2nnc(-c3sccc3O)n2C)C1	1121273779	KUGULHLWOPJRQX-OAHLLOKOSA-N	306.435	3.266	10	20	DGCD	
COc1cccc2c1OCC[C@H]2NCc1cc(F)cc(F)c1O	882996873	LWHMCRPDQXTNON-CQSZACIVSA-N	321.323	3.292	10	20	DGCD	
CN(C)c1ccc(CNCc2cc(F)cc(F)c2O)cc1F	882943300	MHCMZBJEJDHELA-UHFFFAOYSA-N	310.319	3.165	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@H]1CCOc2ccc(F)cc21	882991303	UTDCANIVEIVJEQ-AWEZNQCLSA-N	309.287	3.423	10	20	DGCD	
CC[C@H](N[C@H](COC)[C@@H]1CCCO1)c1cc(Cl)ccc1O	788618445	FWVJJAQTEDPKMD-LZWOXQAQSA-N	313.825	3.280	10	20	DGCD	
O=C(COC(=O)c1sccc1C1CC1)c1ccc(O)c(O)c1	783230755	NAMBDBYKSJJHDI-UHFFFAOYSA-N	318.350	3.076	10	20	DGCD	
CCC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccn1	780930816	RFIXNIFNWPIDIZ-AWEZNQCLSA-N	300.358	3.072	10	20	DGCD	
COCCOC[C@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1O	788666754	SKVZDPZAYFFOOF-WDEREUQCSA-N	321.339	3.113	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCCC[C@H](C)O	795465252	PYWGNQNUHCJLQA-ZDUSSCGKSA-N	307.415	3.473	10	20	DGCD	
COc1cc(CN2CCC[C@@](C)(O)CC2)c(O)c(C(C)(C)C)c1	794672846	PTHXROAPIQACQN-LJQANCHMSA-N	321.461	3.435	10	20	DGCD	
COc1cccc(CNc2cccc3c2OCC[C@H]3OC)c1O	790485703	JBTXGXPIYRYFAU-OAHLLOKOSA-N	315.369	3.483	10	20	DGCD	
CN(C)C(=O)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1	793592038	IOXSEEGCVCNOGT-UHFFFAOYSA-N	322.767	3.499	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2cc(C)nn2C)cc1	793519886	DQLAWEYLZKXJOC-HNNXBMFYSA-N	300.450	3.426	10	20	DGCD	
COc1ccc(CNc2nc(C3CC3)nc3c2CCC3)c(O)c1	1321549000	ZVQIDHXQVBLVLG-UHFFFAOYSA-N	311.385	3.169	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CN(C2CC2)C[C@H]1C	1320411750	SZMYEUKPIFDJQU-VDERGJSUSA-N	300.446	3.321	10	20	DGCD	
CCC(CC)[C@@H](O)CNCc1ccc(Br)cc1O	691489101	PSSWIIHDMKGBHT-AWEZNQCLSA-N	316.239	3.041	10	20	DGCD	
Nc1ccc(CNC(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1	1338792331	DJZIBWXKBJQQGL-HNNXBMFYSA-N	313.376	3.107	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@H]1C[C@H](C)c2c(C)ccc(O)c21)C(C)C	1344437756	JANMFPYTEUAZDB-DEYYWGMASA-N	318.461	3.341	10	20	DGCD	
O=C(O)c1cnc(SCCc2nc3ccccc3[nH]2)s1	1608979154	MBHOPMMFSXVEPA-UHFFFAOYSA-N	305.384	3.052	10	20	DGCD	
Cc1ccccc1NC(=S)NNc1cccc(C(=O)O)c1	1610532039	FQOAMDYVCVYVLK-UHFFFAOYSA-N	301.371	3.007	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1csc(C(=O)O)c1	1598519047	FQTBMTXYPIGZJT-UHFFFAOYSA-N	304.415	3.144	10	20	DGCD	
CCN(CC)c1ccc(CNC2CC(C)(C(=O)O)C2)cc1F	1776861222	RAHOOLIRCMSWJN-UHFFFAOYSA-N	308.397	3.015	10	20	DGCD	
CC[C@H](Nc1ccc(OCC(=O)NC)cc1)c1ccccc1O	157757264	ZTFKPLSLOGTINP-INIZCTEOSA-N	314.385	3.080	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)CCNC(=O)OC(C)(C)C)c1	793607017	YRCDXEUZBVRAIB-CYBMUJFWSA-N	308.422	3.094	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](c2cccs2)N(C)C)cc1	21795469	VWBBCWRRTPWHHM-INIZCTEOSA-N	303.475	3.207	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCOC(C)C)cc1F	66841467	SDXCCLNCXSFXDE-UHFFFAOYSA-N	310.413	3.103	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2ccc(C)nc2)cc1	80359934	WWBCNIAZPSGLAB-UHFFFAOYSA-N	311.429	3.095	10	20	DGCD	
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(C)ccc2O)C1	92400963	POQYSDVGYWMLRT-HZPDHXFCSA-N	318.461	3.217	10	20	DGCD	
CCN(Cc1ccc(N2CCOCC2)cc1)Cc1ccoc1	92935856	JQWOWJZWABBYCB-UHFFFAOYSA-N	300.402	3.138	10	20	DGCD	
CCN(C(=O)[C@H](C)N(C)Cc1ccccc1O)C1CCCCC1	121147929	BLHPTUCHZXESGC-HNNXBMFYSA-N	318.461	3.394	10	20	DGCD	
COc1cccc(CNc2cc(NC(C)=O)ccc2C)c1O	122686709	XWJKMTMQTNRBNY-UHFFFAOYSA-N	300.358	3.280	10	20	DGCD	
Cc1ccccc1/C=C1/SC(=S)N(Cc2ccon2)C1=O	130319960	ZYLONPWLSZRLAK-MDWZMJQESA-N	316.407	3.384	10	20	DGCD	
CC(C)NC(=O)CCN[C@H](C)c1ccc(N2CCCCC2)cc1	133851118	UIQYAXILUVXNSJ-MRXNPFEDSA-N	317.477	3.242	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)c3ccccn3)CC2)cc1	152363556	YBIGUTYELCAYBC-HNNXBMFYSA-N	311.429	3.410	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1O	155189391	HHFZAXJDVNCKPJ-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
CCc1ncsc1C(=O)NCCCSc1nccs1	159919913	GWQRFKYILMCSKN-UHFFFAOYSA-N	313.473	3.074	10	20	DGCD	
COc1ccc(N2CCCN(CCCOC(C)C)CC2)cc1	171499662	PFFHOVCRKFRUFI-UHFFFAOYSA-N	306.450	3.022	10	20	DGCD	
CC(C)[C@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1	171967326	YGRGFTJIQUIIGM-AWEZNQCLSA-N	306.475	3.148	10	20	DGCD	
C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N2CCCC2)cc1	177262121	QGQYUNBEZFKKMB-HUUCEWRRSA-N	301.434	3.369	10	20	DGCD	
CCO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1(CC)CC	236966962	NMHLFMAKSYVNIQ-SJORKVTESA-N	318.461	3.254	10	20	DGCD	
CCC(CC)(CNC(=O)/C=C/c1ccc(O)c(O)c1)SC	272615183	HWPWUXQATVWWTF-VQHVLOKHSA-N	309.431	3.149	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CO)c2ccc(Cl)cc2)c1	273548800	ZXICVYUDXANHBG-BZNIZROVSA-N	321.804	3.438	10	20	DGCD	
CCNC(=O)C1(CN[C@@H](C)c2ccc(N(C)CC)cc2)CCC1	277088119	GEKGKGDKYJJDJX-HNNXBMFYSA-N	317.477	3.100	10	20	DGCD	
CN(C)[C@H](CN[C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1	296161088	XEQDPWJKYRYJGP-IAGOWNOFSA-N	314.404	3.411	10	20	DGCD	
C[C@H]1Oc2ccc(N[C@H]3CCc4cccc(O)c43)cc2NC1=O	296887208	OKCUOKXALZZQNH-MFKMUULPSA-N	310.353	3.211	10	20	DGCD	
C[C@H]1CC[C@@H](C)CN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	316493616	VYMBFOFIFQBEAV-YYYFKNSJSA-N	304.346	3.317	10	20	DGCD	
C[C@H](N[C@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1O	317536497	KXOWZZOBFOXUKX-BLLLJJGKSA-N	305.397	3.493	10	20	DGCD	
c1cn(-c2ccc(NCc3ccc(N4CCCC4)cc3)cn2)cn1	324269180	XTGLYUPHDLPENS-UHFFFAOYSA-N	319.412	3.480	10	20	DGCD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C	352136250	XAZFMBZDDKOTMM-LBPRGKRZSA-N	324.428	3.247	10	20	DGCD	
CC[C@H](N[C@@H](CC)[C@H](C)O)c1cc(Br)ccc1O	386737623	XGZHESWKNOOCHL-XDTLVQLUSA-N	316.239	3.355	10	20	DGCD	
CCOC(=O)c1cnc(NCc2c(C)c3ccccc3n2C)cn1	530375962	BZRPSQVDGLUOKF-UHFFFAOYSA-N	324.384	3.066	10	20	DGCD	
CO[C@H]1CCCN(Cc2cccc(Br)c2O)CC1	692063175	MAMWMFCTFCXUIN-LBPRGKRZSA-N	314.223	3.156	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1	728792377	KRIUSBBPXJKZGX-JUFZMCDQSA-N	320.458	3.115	10	20	DGCD	
CCN(CCCNC(=O)c1cc(O)cs1)c1ccccc1	731865568	NFCRCXHKVZCAMQ-UHFFFAOYSA-N	304.415	3.100	10	20	DGCD	
C[C@@H](C(=O)OC(C)(C)C)N(Cc1ccc(N(C)C)cc1)C1CC1	738876454	FVBSPONZVFRTBK-AWEZNQCLSA-N	318.461	3.447	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2nc(C)no2)cc1F	740004184	HSILOQCQBHNSPF-NSHDSACASA-N	306.385	3.214	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@@H]1COc2ccccc2O1	743870574	XYEWXVGENMPILZ-MRXNPFEDSA-N	313.397	3.444	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1sc(Cl)nc1C	748541482	JSFQNNVAPIHRKQ-UHFFFAOYSA-N	323.849	3.409	10	20	DGCD	
Cn1cc(NCc2cc3c(cc2O)OCO3)c(-c2ccccc2)n1	753567940	KAMSLYZMBZGFLB-UHFFFAOYSA-N	323.352	3.134	10	20	DGCD	
CC(C)(C)[C@@H](CNCc1c(O)ccc(Cl)c1F)CC(=O)O	756313033	TXGFGRWDRINRRU-SECBINFHSA-N	317.788	3.411	10	20	DGCD	
CC(C)[C@@H](CN[C@H](C)c1cc(F)cc(F)c1O)N1CCCC1	756398186	CUJBYOIOEBKIDN-MLGOLLRUSA-N	312.404	3.441	10	20	DGCD	
C[C@H](NCC[C@H](C)N1CCCCC1)c1cc([N+](=O)[O-])ccc1O	757659423	XUINIBASHUJOIU-KBPBESRZSA-N	321.421	3.216	10	20	DGCD	
COC(=O)c1occc1CN(C)c1ccc(OC(C)C)cc1	759934850	YIMLCXRIIRFOPD-UHFFFAOYSA-N	303.358	3.490	10	20	DGCD	
Cc1nc(C)c(CN(C)c2ccc(OCCN(C)C)cc2)s1	761223876	TXJIMQRLQIMPNX-UHFFFAOYSA-N	319.474	3.337	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)c1	766089349	QIYJDPUXVMTXMM-IAGOWNOFSA-N	307.434	3.473	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCCCc2cccs2)cc1	769658932	ACMJNMCELUHMFE-UHFFFAOYSA-N	317.458	3.246	10	20	DGCD	
C[C@@H](NC(=O)NCCCC(F)(F)F)c1ccc(N(C)C)cc1	773348029	ZMVNNDWPCOYIMJ-LLVKDONJSA-N	317.355	3.455	10	20	DGCD	
COc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1F	775072712	YVGQUKOAIWRWON-UHFFFAOYSA-N	322.292	3.069	10	20	DGCD	
CCN(CC)c1ccc(CNc2nc3ccccn3n2)cc1F	775170350	DDLGLSAMJHLBKA-UHFFFAOYSA-N	313.380	3.327	10	20	DGCD	
COC(=O)[C@@H](N[C@H](C)c1cc(OC)ccc1O)c1ccsc1	789301078	XQTAFSJHNASZMO-BMIGLBTASA-N	321.398	3.027	10	20	DGCD	
O=C(NCCCc1ccc(Cl)cc1)c1c(F)ccc(O)c1O	789967512	QUSHRAWKCITBPA-UHFFFAOYSA-N	323.751	3.253	10	20	DGCD	
COc1cccc(O)c1CNC[C@@H]1CCC2(CCCCC2)O1	790996639	ZKOGFZVMMSYFBW-AWEZNQCLSA-N	305.418	3.372	10	20	DGCD	
CCN1CCC(N(C)Cc2c(O)ccc(Cl)c2F)CC1	792156786	MRZKERAXEXDMGY-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
C[C@H](NCc1cnc2n1CCCC2)c1cc(F)cc(F)c1O	793567503	YPFWNJXJBYGZPJ-JTQLQIEISA-N	307.344	3.054	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](COC)C(C)C	802190710	BBBVHNPOHNRMNI-INIZCTEOSA-N	322.449	3.375	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCOc2cccnc2)c1O	808696006	MTSVZSLLFRUMMV-LBPRGKRZSA-N	306.793	3.479	10	20	DGCD	
CS[C@H](CO)[C@@H](C)N[C@@H](C)c1cc(Cl)cc(C)c1O	808697807	WATORWZNKLSGCU-OPQQBVKSSA-N	303.855	3.117	10	20	DGCD	
OCCN(Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1	809546152	XSFOQIVSIOWCQF-UHFFFAOYSA-N	322.452	3.206	10	20	DGCD	
CC[C@@H](NCC1(O)CCC1)c1ccc(C(F)(F)F)cc1O	810219052	ZGSFXZGQOPLKNT-GFCCVEGCSA-N	303.324	3.367	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1	815580109	CFOYSUDHZFXVRD-JYJNAYRXSA-N	318.461	3.307	10	20	DGCD	
COCCOCCCCNCc1ccc2ccccc2c1O	816545591	XEUVOKMYMZRERX-UHFFFAOYSA-N	303.402	3.078	10	20	DGCD	
C[C@H](N[C@H](CN)C1CC1)c1ccc(N2CCCCCC2)cc1	817959865	JSBXDQTZNBWJAZ-HNAYVOBHSA-N	301.478	3.455	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc3c(c2)CNC3)c2c(O)ccc(F)c21	817968544	LIKUULRVQGKKFO-BZNIZROVSA-N	312.388	3.473	10	20	DGCD	
CCC[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC	834841576	XHRDGKJQTUIUHR-GDBMZVCRSA-N	324.440	3.128	10	20	DGCD	
CO[C@H](CN[C@H](C)c1ccc(F)cc1O)Cc1ccccc1	834856022	KFIHBPJMJXCOAT-CJNGLKHVSA-N	303.377	3.440	10	20	DGCD	
Oc1ccc2ccncc2c1CN1C[C@]2(CCCO2)[C@H]1C1CC1	840095853	JFWSTRYPDSNXQW-RTBURBONSA-N	310.397	3.084	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCCC3(CCCC3)C2)cc1	841957725	CTHXCLRMJKYJJH-UHFFFAOYSA-N	301.434	3.177	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC[C@@]1(C)N	843488440	ZTNCHNNXCZCEFZ-IEBWSBKVSA-N	317.477	3.009	10	20	DGCD	
CCSC1(CNCc2ccc(N3CCOCC3)c(F)c2)CC1	850394659	YMTCHRNUYMJALF-UHFFFAOYSA-N	324.465	3.038	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1O	850583521	OLSNBFBEGRYOCI-RFAUZJTJSA-N	311.303	3.194	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1CO	857062223	ZCZGJLHJOUCBRJ-ONGXEEELSA-N	304.217	3.149	10	20	DGCD	
COc1ccc(N(C)Cc2cc3c(s2)CCNC3)cc1F	873210164	XBRDGXSZVOIKPA-UHFFFAOYSA-N	306.406	3.178	10	20	DGCD	
Cc1ccc(CNCc2cccc(CN3CCCC3=O)c2)c(O)c1	876930234	MNXCMLWQADLSGZ-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
CC[C@H](N[C@H](CO)C[C@@H]1CCCO1)c1cccc(Cl)c1O	886670386	NWTLAAHDIXNGIK-HUBLWGQQSA-N	313.825	3.016	10	20	DGCD	
COc1ccc(CN2CCC[C@@H]2c2ccccn2)c(O)c1OC	891630139	LOFUMKUQZBMVOR-OAHLLOKOSA-N	314.385	3.142	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2Cc3ccccc3[C@H]2O)c2c(O)ccc(F)c21	903441154	YGNKJFQXSIWOHS-NYGAIPDWSA-N	313.372	3.328	10	20	DGCD	
CN(C)c1ccc(CNCc2cnn(CC3CCC3)c2)cc1F	921622806	HRWFYLGZQUAPJW-UHFFFAOYSA-N	316.424	3.178	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)ncc1F	929530946	FPWQQFFKBSNGMN-UHFFFAOYSA-N	321.783	3.212	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc([S@](C)=O)cc1	1118010382	CHXTUOJCFABGFD-NRFANRHFSA-N	302.443	3.411	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cnoc1C1CC1	1319342341	UANNLYXSXAZHOT-UHFFFAOYSA-N	311.385	3.082	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)C[C@H]1CCCC[C@@H]1O	1341944717	KPYFMDXQPHOADB-MJGOQNOKSA-N	302.462	3.270	10	20	DGCD	
CC1(C)C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1	1353515243	WBUFCTSAPGAMGO-MRXNPFEDSA-N	316.445	3.108	10	20	DGCD	
Cc1cccc([C@@H](NCc2ccc(N(C)C)cc2C)C(=O)O)c1	1574394881	HNTFKIUOTJFSOH-GOSISDBHSA-N	312.413	3.285	10	20	DGCD	
CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccc(N)cc1	1578387470	JZNCEQOAPXEHJX-UHFFFAOYSA-N	310.332	3.075	10	20	DGCD	
CN(C)c1ccc(CN(C)C(C)(C)C(=O)O)c(C(F)(F)F)c1	1598318099	VYRUJFLMJNUIIW-UHFFFAOYSA-N	318.339	3.066	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2O[C@@H](C)C(=O)O)cc1	1599583777	AMVFCEMHIOQMAX-ZDUSSCGKSA-N	315.369	3.184	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cncc3ccccc23)c1	103529438	HATZKBGZAMKCSQ-GFCCVEGCSA-N	322.364	3.440	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc3nc(C)ccc3c2)c1	121774071	YRSZQBIAAMKUPC-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
Cc1[nH]c2c(C(=O)NCCc3ccc(O)c(O)c3)cccc2c1C	156649856	DOHLQPFMAAEEDJ-UHFFFAOYSA-N	324.380	3.168	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1	156715079	NARBYSMETJHCNU-RDJZCZTQSA-N	301.434	3.227	10	20	DGCD	
CCCCn1ncc(NC(=O)N(C)Cc2ccccc2O)c1C	160132309	GOQMVJIXMOTXNZ-UHFFFAOYSA-N	316.405	3.361	10	20	DGCD	
COC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccccc1O	179561564	QJRWQCAWWZWFGB-UHFFFAOYSA-N	319.788	3.221	10	20	DGCD	
CCCCCCNC(=O)[C@@H]1CCCN(Cc2ccccc2O)C1	179565553	FDHDCEMRGTZWAO-QGZVFWFLSA-N	318.461	3.301	10	20	DGCD	
C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc(N2CCCCC2)cc1	187677651	FUBFMVSMGVPDDH-QGTPRVQTSA-N	302.462	3.487	10	20	DGCD	
CCCOc1ccc(CNC[C@H](O)c2ccc(F)cc2)c(O)c1	236820832	QOFALVQMUONLCS-SFHVURJKSA-N	319.376	3.143	10	20	DGCD	
Cc1ccc(C[C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)cc1	237824730	RFBFSRYOHRQHLL-IBGZPJMESA-N	308.425	3.353	10	20	DGCD	
COc1ccc(CNCc2csc([C@H](C)OC)n2)cc1C	267638626	QDEJAMJCKNSXQB-LBPRGKRZSA-N	306.431	3.457	10	20	DGCD	
Cc1ccc([C@H](C)Nc2cccc(OCC(N)=O)c2)c(O)c1C	273475292	KMUGMZVUVPMXSZ-ZDUSSCGKSA-N	314.385	3.046	10	20	DGCD	
Nc1ccccc1CCC(=O)NCc1ccc(N2CCCC2)cc1	279681522	ALVLHNCQNWOITJ-UHFFFAOYSA-N	323.440	3.118	10	20	DGCD	
CN(C)c1ccc(CNCC(C)(C)CCO)c(C(F)(F)F)c1	280971294	TVJUOQIDOMKIJU-UHFFFAOYSA-N	318.383	3.270	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc(Cl)ccc2O)c(OC)n1	290075958	GJLYAXYXIADHFD-JTQLQIEISA-N	322.792	3.309	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2nncn2-c2ccccc2)c(O)c1	293934581	YECLSKKZRLCRKA-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccccc1O)c1ccc(OC)cc1	299549714	XGFRKHWCJGMGSC-MRXNPFEDSA-N	314.385	3.351	10	20	DGCD	
CCc1ncsc1C(=O)NCc1c(C)c2ccccc2n1C	348632024	CDJPTHFXTFHWAC-UHFFFAOYSA-N	313.426	3.436	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1O	375333997	AYWFQAOLQHAIGB-CVEARBPZSA-N	323.820	3.392	10	20	DGCD	
Oc1cccc(Cl)c1CN[C@@H]1CCN(Cc2ccccc2)C1	390701666	DBLACNSQFDEZKF-OAHLLOKOSA-N	316.832	3.410	10	20	DGCD	
CCC[C@@H](NC(C)C)C(=O)NCc1c(C)c2ccccc2n1C	509412301	YUCUBSNQIIWANR-MRXNPFEDSA-N	315.461	3.270	10	20	DGCD	
COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@H]3C[C@H]3C2)CCCC1	628520385	ONKXVWBCQBLHGG-OKILXGFUSA-N	324.424	3.007	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@@H]1CCN1Cc1ccccc1	716237817	LTJZQMLUFYKEOS-INIZCTEOSA-N	316.832	3.410	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](C)c2cccc(Cl)c2)c1O	743332137	MKRTVIIEFMMEIT-LLVKDONJSA-N	319.788	3.474	10	20	DGCD	
CC(C)(C)OC(=O)CCCCCNC(=O)c1cc(O)cs1	743761054	XRNOISNEYQXVMP-UHFFFAOYSA-N	313.419	3.086	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1CCSc2ccccc21	748458687	AXGSPLWGRPSUSQ-AWEZNQCLSA-N	314.410	3.429	10	20	DGCD	
C[C@@H](NCCN(C)Cc1ccccc1)c1cc(F)cc(F)c1O	756448631	DMDGHRNDIADNOR-CYBMUJFWSA-N	320.383	3.453	10	20	DGCD	
CC(C)CO[C@@H]1CCN(Cc2c(O)ccc3ccncc23)C1	759143297	FRQFZPGOZCFDKH-OAHLLOKOSA-N	300.402	3.187	10	20	DGCD	
CCCN1C(=O)N(Cc2ccc(N(C)C)cc2C)C(=O)[C@@H]1CC	761359190	VAJYLPOHHYONSW-INIZCTEOSA-N	317.433	3.014	10	20	DGCD	
Oc1c(Br)cccc1CNc1ncc(Cl)cn1	764934814	MUDFNFSENKMANW-UHFFFAOYSA-N	314.570	3.210	10	20	DGCD	
C[C@@H](Cc1ccco1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773193783	YJGXXVQUWNEWQQ-KBPBESRZSA-N	315.417	3.337	10	20	DGCD	
COc1ncc(/C=C/C(=O)N2C[C@@H](C(C)C)c3ccccc32)cn1	773328996	YDZNADYVFDZHKN-FDMDGMSGSA-N	323.396	3.285	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCCC2(CCCCC2)C1	789979427	GXGRTOZNOHGWEQ-UHFFFAOYSA-N	307.365	3.423	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1O[C@H](C)C[C@H]1C	799881388	LNWAJYMVMQWBOV-IIDMSEBBSA-N	318.461	3.303	10	20	DGCD	
C[C@@H]1CCCN(c2ccc(CN[C@H](C)CCO)cc2Cl)C1	800493772	QHKOPPKWJMSAJJ-ZIAGYGMSSA-N	310.869	3.437	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2COc3c(C)cccc3C2)c1	810259603	NFOJSVDPCHHIOD-DZGCQCFKSA-N	313.397	3.364	10	20	DGCD	
C[C@H]1C[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H](C)O1	815082533	WSTGIJDLLDTJQJ-DFGXFYAUSA-N	318.461	3.130	10	20	DGCD	
CN(C)C(=O)c1ccc(NCc2cc(Cl)c(F)cc2O)cc1	816598139	QZSKQCINQYTBCH-UHFFFAOYSA-N	322.767	3.499	10	20	DGCD	
CCCN(Cc1cc(C)c(C(=O)OC)o1)c1ccc(CN)cc1	825710115	GPIDRFCUKIQZEU-UHFFFAOYSA-N	316.401	3.250	10	20	DGCD	
COc1cc(C(=O)N[C@H](C)c2ccccc2O)cc(OC)c1C	827923439	PXHLMJGUVOOJSK-GFCCVEGCSA-N	315.369	3.209	10	20	DGCD	
C/C(=C/C(=O)N1CC2(CCC2)c2ccccc21)c1cnccn1	830940179	NIEQIHPPSLSMGP-KAMYIIQDSA-N	305.381	3.348	10	20	DGCD	
Cc1ccc(CN[C@H]2CCc3cccc(O)c32)c(N2CCCC2)n1	834761739	UNZNYQNRATXYJS-KRWDZBQOSA-N	323.440	3.473	10	20	DGCD	
C[C@H](NC[C@@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1O	834887024	XOWSNIUFRCTVFF-UWVGGRQHSA-N	300.305	3.386	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCCS1	839921269	YGCQMCGRQQGCKN-YOEHRIQHSA-N	320.502	3.394	10	20	DGCD	
C[C@H](N)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1	841028353	PBKRHYSDXPONCO-HNNXBMFYSA-N	311.429	3.155	10	20	DGCD	
CN(C)c1ccc(CNCCCNC2CC2)c(C(F)(F)F)c1	841090789	QSSHSMPZGLLURG-UHFFFAOYSA-N	315.383	3.003	10	20	DGCD	
C[C@]12CCN(C(=O)Nc3ccc(N)cc3)C[C@@H]1C2(Cl)Cl	841299806	OOBSZPUYJBZUOH-AAEUAGOBSA-N	314.216	3.316	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H]2CCS[C@@H]2C)c1O	843435202	RBFWGAAXZDVSPV-SKDRFNHKSA-N	316.264	3.447	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CCC(C)(C)N)cc1	844166765	HPUIAJZZHBDLQA-UHFFFAOYSA-N	305.466	3.009	10	20	DGCD	
CC(C)(C(=O)NCc1cc(Cl)ccc1O)C1CCOCC1	846472632	CNYDPTQPCUTESX-UHFFFAOYSA-N	311.809	3.115	10	20	DGCD	
C[C@@H](NCc1cccnc1N1CCCC1)c1cc(F)ccc1O	850501985	QUHGDFKEJAOBNK-CYBMUJFWSA-N	315.392	3.377	10	20	DGCD	
CC[C@H](N[C@@H]1CCO[C@H]1c1ccc(O)nc1)c1ccccc1O	858535899	DAQBGLBZBJUGMK-DAYGRLMNSA-N	314.385	3.064	10	20	DGCD	
C[C@H]1CCCC[C@]1(C)n1cc(COc2ccc(N)cc2)nn1	864630653	LNYVFMXAEBPLLC-GUYCJALGSA-N	300.406	3.365	10	20	DGCD	
C[C@@H](N[C@H]1CCc2cccnc21)c1ccc(N2CCOCC2)cc1	886513146	VHPZPYJLJWCSHK-BEFAXECRSA-N	323.440	3.256	10	20	DGCD	
CN(C)c1ccc([C@H](CNC(=O)C2(C)CCCC2)N(C)C)cc1	891251062	CUWDIXXBVHFDGJ-KRWDZBQOSA-N	317.477	3.052	10	20	DGCD	
COc1ccc(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)c(O)c1OC	893255516	JUDJLKODIVGYAJ-UKRRQHHQSA-N	323.433	3.093	10	20	DGCD	
CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2ccccc2O)C1	896984531	LEUMXGGLTOZHMJ-CQSZACIVSA-N	320.433	3.129	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)[C@@H]([C@@H](C)O)C1	1116719508	HWYDGLSPXFCNAJ-GPMSIDNRSA-N	302.462	3.268	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@]3(C(=O)O)CCCC[C@H]23)cc1	1777039512	SYSLTOVFFDCSBH-HKUYNNGSSA-N	316.445	3.362	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)c2c[nH]c3ccccc23)cc1	1777039651	GMPQOVRHMKBOEI-GOSISDBHSA-N	323.396	3.149	10	20	DGCD	
COc1ccc(N2CCCN(Cc3c(C)noc3C)CC2)cc1	52466315	ZAFFTSZBSXLMDH-UHFFFAOYSA-N	315.417	3.012	10	20	DGCD	
CCCC[C@@H](CC)CNC(=O)NCc1cccc(OC)c1O	73416500	ZANCBYOVOAAOAQ-CYBMUJFWSA-N	308.422	3.416	10	20	DGCD	
CC[C@H](C)[C@@](C)(O)CNCc1cc(Br)ccc1O	112380073	CFBOIUJLEWFPPD-HZMBPMFUSA-N	316.239	3.041	10	20	DGCD	
COc1ccc(N2CCC(NCc3nc(C)cs3)CC2)cc1	117384640	PPNCTDJUVDHOFB-UHFFFAOYSA-N	317.458	3.219	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@H](O)Cc2ccccc2)cc1	132014416	GPCXQAFOTYANPT-OXQOHEQNSA-N	312.457	3.397	10	20	DGCD	
C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)cc1	134647705	HHABNARSKCUGAF-SOLBZPMBSA-N	300.446	3.265	10	20	DGCD	
CCc1ccc([C@@H](COC)NCc2ccc(N(C)C)cc2)o1	174479269	SUJXVYSHKLPBIK-QGZVFWFLSA-N	302.418	3.385	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2nc3ccccc3n2C)c1	182355909	NAKNMTSTHSCZPN-LBPRGKRZSA-N	311.385	3.138	10	20	DGCD	
C[C@@H](CN[C@H](C)c1ccccc1O)N1CCc2ccccc2C1	183455745	NVHOTRRHDOFQAY-JKSUJKDBSA-N	310.441	3.490	10	20	DGCD	
C[C@H](NCCCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1O	185207143	DFKKSPCJDHUVNU-KFWWJZLASA-N	324.440	3.071	10	20	DGCD	
Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(F)c(F)c2O)cc1	191213119	GFJLRZHTXGULPW-ABAIWWIYSA-N	307.340	3.363	10	20	DGCD	
COc1ccc([C@@H](CO)N(C)Cc2cccc(Cl)c2O)cc1	271780362	HPWWRRJIUHZPTC-MRXNPFEDSA-N	321.804	3.220	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	286869528	YRSKWIKSGHZKMT-OWCLPIDISA-N	317.429	3.363	10	20	DGCD	
CCC[C@@H](OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	294280488	FGCZQZWNMOVOSR-GOSISDBHSA-N	318.461	3.450	10	20	DGCD	
COc1cc(Cl)cc(CNc2cnc3c(c2)COCC3)c1O	363933469	UNECOLAZBQWXPI-UHFFFAOYSA-N	320.776	3.134	10	20	DGCD	
C[C@@H](NCCc1cn2c(n1)CCCC2)c1cc(Cl)ccc1O	368477186	DKOXISMRDYRODR-GFCCVEGCSA-N	319.836	3.472	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1	374499238	ZHSUYFKNINFFHN-WDYCEAGBSA-N	318.461	3.131	10	20	DGCD	
CS[C@@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)cc1	378926640	UIEBTQOJCSSTBZ-QZTJIDSGSA-N	320.502	3.287	10	20	DGCD	
CCOc1ccccc1C(=O)N[C@H](C)c1cc(OC)ccc1O	729280976	YGHDNLNHGPYREE-GFCCVEGCSA-N	315.369	3.291	10	20	DGCD	
O=C(NCCc1cc2ccccc2o1)NCc1ccccc1O	740480384	UIOZPJGNSINSNQ-UHFFFAOYSA-N	310.353	3.180	10	20	DGCD	
C[C@@H](NCCOC[C@H]1CCCO1)c1ccc2ccccc2c1O	756582544	JUYVIBISBRNYOS-GDBMZVCRSA-N	315.413	3.392	10	20	DGCD	
OC[C@H](CC(F)(F)F)NCc1ccc(N2CCCCC2)cc1	756994736	YXQGPFUBRKWANL-AWEZNQCLSA-N	316.367	3.080	10	20	DGCD	
CCN(CC)CCOCCN[C@@H](C)c1ccc(C)c(C)c1O	757674766	WDXVBQZGLWBUSY-INIZCTEOSA-N	308.466	3.018	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(OC)c(C)c1	757798981	GLTZAKFPLVTACX-QAPCUYQASA-N	305.418	3.215	10	20	DGCD	
COc1ccc2c(c1)CCCN2CN1C(=O)C[C@@H]1c1ccccc1	766341925	USLZAPDZZLTVSW-LJQANCHMSA-N	322.408	3.379	10	20	DGCD	
COc1ccc(CNC(=S)Nc2c(C)cccc2C)nc1	766512280	IGHGQWVPEBMLMS-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
CN(Cc1cnn(C)c1)Cc1cc(-c2ccccc2)ccc1O	768198456	AZONYNZXXQTEOE-UHFFFAOYSA-N	307.397	3.425	10	20	DGCD	
CC(C)C[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768463353	HJJUMHVQEPPADC-SUMWQHHRSA-N	305.418	3.076	10	20	DGCD	
CC(C)N(Cc1ccc(N2CCN(C)CC2)cc1)CC1CCC1	775175940	IBGJWMMWXBTLTG-UHFFFAOYSA-N	315.505	3.449	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCCO[C@@H]2CC(C)C)c(O)c1	775371637	OPBCTTPEDSRACZ-SJLPKXTDSA-N	307.434	3.474	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCN(Cc2ccccc2)CC1	775634070	OPILNJHVCSGEME-UHFFFAOYSA-N	316.832	3.363	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H]2CCN(C)C[C@@H]2C)cc1	777469906	PHYQCCFWWSNBLX-LPHOPBHVSA-N	303.494	3.305	10	20	DGCD	
CCOc1ccc(N(C)Cc2ccc(S(C)(=O)=O)cc2)cc1	780775351	UNBMEGUJAWAYGP-UHFFFAOYSA-N	319.426	3.125	10	20	DGCD	
COc1ccc2c(c1)CC[C@H](NCc1ccc3c(c1)CCO3)C2	784626351	QVZYKNJZBFBETM-SFHVURJKSA-N	309.409	3.277	10	20	DGCD	
COC(=O)CCc1cccc(NCc2ccc(N(C)C)cc2)c1	786578360	UHECFCMGXZVNNI-UHFFFAOYSA-N	312.413	3.470	10	20	DGCD	
Cc1nccn1CCN[C@@H](C)c1cccc(C(F)(F)F)c1O	788584415	OYHKKGIQKJIEMS-JTQLQIEISA-N	313.323	3.267	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2ccc3c(c2)C(=O)NCC3)c(O)c1	788736910	GYTGGXIJSYUSKM-AWEZNQCLSA-N	324.424	3.146	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)n(C)n1	788815519	CJIIDFNBRGUZII-SNVBAGLBSA-N	313.323	3.304	10	20	DGCD	
CCN1CCC(CNCc2c(O)ccc(Cl)c2F)CC1	790959078	DUYUBEIZIJORKH-UHFFFAOYSA-N	300.805	3.006	10	20	DGCD	
CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(O)c1O	792803774	WLBSZIUELOPPGK-LLVKDONJSA-N	303.362	3.154	10	20	DGCD	
CN(C)c1ccc(CNCCCCCCO)c(C(F)(F)F)c1	793041594	NCJPSMWALYSTTQ-UHFFFAOYSA-N	318.383	3.414	10	20	DGCD	
CC(C)n1cnnc1CN(C)Cc1cc2c(cc1O)CCCC2	793805699	NKKHDVGWZAZDNT-UHFFFAOYSA-N	314.433	3.075	10	20	DGCD	
CC[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1O	794818593	VRGOKIYMONDCNP-FUHWJXTLSA-N	317.404	3.484	10	20	DGCD	
CC[C@@](C)(OC)C(=O)NCc1ccc(N2CCCCC2)cc1	795053908	YPKGYRYSAHWNBC-GOSISDBHSA-N	304.434	3.108	10	20	DGCD	
CC(C)Oc1ccc(NC(=O)c2cccc(O)c2O)c(F)c1	807701968	NYUGJVYJQNKBGB-UHFFFAOYSA-N	305.305	3.276	10	20	DGCD	
CC[C@@H]1CC[C@@H](C)N1Cc1ccc(N2CCOCC2)c(F)c1	809768066	BJICKYNCINSRST-GDBMZVCRSA-N	306.425	3.425	10	20	DGCD	
COCc1nc(CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)cs1	810253656	ZONXRIMDJFNDKR-CABZTGNLSA-N	322.405	3.472	10	20	DGCD	
CCN(CC)c1ccc(CN2CCNC(=O)c3ccccc32)cc1	811508549	WCUKFBBXCOMDRD-UHFFFAOYSA-N	323.440	3.283	10	20	DGCD	
CCOc1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(O)c1	811518812	PEXSFYIWAVMKQO-QZTJIDSGSA-N	317.429	3.324	10	20	DGCD	
Cc1cc(CN(C)Cc2ccc3c(c2)OCO3)ccc1N(C)C	815013047	PILZWSUDCGRRFU-UHFFFAOYSA-N	312.413	3.422	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](Cc1ccccc1)[C@H](C)N	817894840	QRVZSFSHBSGROH-JXFKEZNVSA-N	311.473	3.109	10	20	DGCD	
CC[C@@H](NC1CCNCC1)c1ccc(Cl)c(Cl)c1O	817937305	WGHCPYABENYWAY-GFCCVEGCSA-N	303.233	3.492	10	20	DGCD	
Cc1nc([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c(C)s1	817940652	GKZGXMPSMZLZTI-BDJLRTHQSA-N	318.490	3.177	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)c3cncs3)C2)cc1	818344134	JNHTXNBUMANEDQ-ZIAGYGMSSA-N	317.458	3.329	10	20	DGCD	
CSCC1(CCNC(=O)N(C)Cc2ccccc2O)CC1	820999808	VSJICACFGYFZME-UHFFFAOYSA-N	308.447	3.067	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@@H]1CCO[C@H](c2ccncc2)C1	824955235	VKPYVNXDBZEBRT-WBVHZDCISA-N	318.804	3.451	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCN(C)c2ccccc21)c1ccccc1O	827940365	CCGKXASMMMMYDO-CZUORRHYSA-N	310.397	3.193	10	20	DGCD	
CCC(C)(C)OCCNC(=O)NCc1ccc(N(C)C)cc1C	836690843	YYJCZBPSHXOCST-UHFFFAOYSA-N	321.465	3.065	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)C(C)(C)O	838720073	VTINGXPYCACGTH-UHFFFAOYSA-N	322.449	3.111	10	20	DGCD	
Cc1cncc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1	839918061	JCEWJMGSSDAOHJ-OAHLLOKOSA-N	311.429	3.125	10	20	DGCD	
COc1cc(CN2[C@H]3CC[C@H]2COC3)c(O)c(C(C)(C)C)c1	840163884	FLFCTPAQXONJAY-KBPBESRZSA-N	305.418	3.062	10	20	DGCD	
COC(=O)[C@@H](CC1CC1)NCc1ccc(N2CCCCC2)cc1	840958724	RLWYNHPRBOKLKM-GOSISDBHSA-N	316.445	3.108	10	20	DGCD	
CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)NCCc1ccc(N)cc1	841956122	VWWYTVJOXUPHCE-IRXDYDNUSA-N	303.450	3.133	10	20	DGCD	
CCN(CC)c1ccc(CN2CCNC[C@H]2c2ccncc2)cc1	843120589	QPCPTROMPHOKLV-FQEVSTJZSA-N	324.472	3.074	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC(=O)C1	843758375	PRKUNQBJBWGRTD-INIZCTEOSA-N	314.429	3.005	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)C1C[C@@H]2CCC[C@H](C1)C2=O	846472932	NZJORSKVJNLYPR-FOSCPWQOSA-N	321.804	3.057	10	20	DGCD	
CCc1cccc(CNCc2ccccc2Cn2cccn2)c1O	848892557	AJSYCELUNQZRPL-UHFFFAOYSA-N	321.424	3.489	10	20	DGCD	
CCc1cccc(CNC[C@H](O)c2ccc(Cl)cc2)c1O	848892690	DXGXAKINLYMIQM-INIZCTEOSA-N	305.805	3.431	10	20	DGCD	
CC1CC(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1	857084581	WWHVWYRJEPOTHF-SHARSMKWSA-N	306.425	3.359	10	20	DGCD	
CCOC(=O)[C@@H]1CC[C@@H](NCc2cc(C)ccc2O)C[C@H]1C	862476442	UJKRBFJVARDGRB-FVQBIDKESA-N	305.418	3.158	10	20	DGCD	
O[C@H]1C[C@H](CNCc2ccc3c(c2)CCN3Cc2ccccc2)C1	873177895	BRHDBZAIGVBZAK-KESTWPANSA-N	322.452	3.110	10	20	DGCD	
CN(C)c1ccc([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1	877857689	XOBUIDFEESIWIZ-QGZVFWFLSA-N	315.461	3.152	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H]2c2cccn2C)c1O	893909477	OONXAKUATYSMBV-MRXNPFEDSA-N	300.402	3.385	10	20	DGCD	
COc1ccc(CNC(C)(C)CSC)cc1Cn1cccn1	898304716	JCULXEZXEKSRMG-UHFFFAOYSA-N	319.474	3.171	10	20	DGCD	
CC[C@H](C)C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O	901677112	ZHKIQWJMGDERHI-GMMSVRSPSA-N	304.434	3.245	10	20	DGCD	
Cc1ccc(C2=NO[C@H](C(=O)N[C@H](C)c3ccccc3O)C2)cc1	913763401	FSHYEKGHAIKVFV-ACJLOTCBSA-N	324.380	3.071	10	20	DGCD	
Cc1cc(O)c(CNC[C@](C)(O)c2cccc(F)c2)cc1C	922565238	ZZOSLAKPHOZSOP-SFHVURJKSA-N	303.377	3.145	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CCCF	925560006	WDVCABNJRWSYHL-UHFFFAOYSA-N	316.376	3.338	10	20	DGCD	
C[C@@H]1CCN(C(=O)/C=C\c2cn(C)cn2)c2ccccc2S1	929691127	YMVJLKSZPDFQMM-MEJMFZKBSA-N	313.426	3.351	10	20	DGCD	
O=C(CN1CC[C@@H]1CO)Nc1ccc(N=Nc2ccccc2)cc1	934028471	VCEFCNUDGLZQSH-QGZVFWFLSA-N	324.384	3.107	10	20	DGCD	
CO[C@H]1CCC[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)C1	1331138116	GPYYETJAODNBFU-BDAKNGLRSA-N	309.753	3.020	10	20	DGCD	
Nc1ccc(CN2CCO[C@H](c3ccc(F)cc3F)C2)cc1	1336116936	IIUNTKFKWCMTDL-KRWDZBQOSA-N	304.340	3.121	10	20	DGCD	
COc1ccc(CNC[C@H](C)Cc2cccs2)c(O)c1OC	1342960756	NGPDYKPZTZWZSI-GFCCVEGCSA-N	321.442	3.439	10	20	DGCD	
COc1ccc(O)c(CNCc2cnccc2C(F)(F)F)c1	1347497938	HACNSUCXLFRSBB-UHFFFAOYSA-N	312.291	3.104	10	20	DGCD	
C[C@@H]1CSc2ccccc2N(C(=O)/C=C\[C@@H]2CCCNC2)C1	1576862090	KFZRTLSSSHTGIQ-ZNQSWUDVSA-N	316.470	3.317	10	20	DGCD	
CC(C)N1CCCC[C@H]1CSc1ncc(C(=O)O)s1	1609706836	PLJZDJCTNNTRED-JTQLQIEISA-N	300.449	3.196	10	20	DGCD	
O=C(O)[C@H](NCc1cc(Cl)c(F)cc1O)c1cccs1	1610720240	GGNXEQQDMWXOTG-GFCCVEGCSA-N	315.753	3.162	10	20	DGCD	
CCN(Cc1ccoc1)C(=O)NCc1ccc(N(C)C)cc1C	115855724	XVWJXEJPZKJDSW-UHFFFAOYSA-N	315.417	3.386	10	20	DGCD	
COc1cccc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1O	54440497	OCWSPHLUUNEROB-OAHLLOKOSA-N	318.760	3.251	10	20	DGCD	
Cc1ccc(C(=O)NCCc2c[nH]c3c(C)cccc23)c(O)c1O	179515192	RKWHXGJFXLMKCW-UHFFFAOYSA-N	324.380	3.168	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCO[C@@H](C)C1	171009792	GCKHZXJNQPCPNJ-AWEZNQCLSA-N	318.442	3.407	10	20	DGCD	
CSc1ccc(Cl)c(C(=O)NCc2ccc(O)c(O)c2)c1	178444246	GLSJHWBGWAURNO-UHFFFAOYSA-N	323.801	3.403	10	20	DGCD	
CCO[C@H]1C[C@@H](N[C@@H](C)c2cc(OC)ccc2O)C12CCC2	185551462	XEDYHEJUJUTLFK-VUCTXSBTSA-N	305.418	3.399	10	20	DGCD	
Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)ccc1[N+](=O)[O-]	183599823	WYYBFANGJWOCFN-LLVKDONJSA-N	302.330	3.358	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)CCO)c(C)n1-c1cccc(Cl)c1	123365286	DERVVLRGSANVFU-LLVKDONJSA-N	320.820	3.248	10	20	DGCD	
COc1c(C)ccc(NC(=O)c2ccc(C)c(O)c2O)c1C	181948930	DODIYFGIOURATD-UHFFFAOYSA-N	301.342	3.284	10	20	DGCD	
COc1ccc(O)c(CN[C@@H]2CCc3c(cccc3OC)C2)c1	192445482	SLTZZKASCBDBLG-OAHLLOKOSA-N	313.397	3.057	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)cc1F	254965412	JXBQBZDLPUTJRQ-UTCJRWHESA-N	304.296	3.045	10	20	DGCD	
CSC[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	265558710	LCXNDMFGIZEDSU-ZDUSSCGKSA-N	321.490	3.178	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C)c(C)s1	276916498	PPDOXGLHYXEQRU-UHFFFAOYSA-N	311.428	3.434	10	20	DGCD	
CCCOc1ccc(CNCC[C@H]2CCO[C@H](C)C2)c(O)c1	273028948	FWWPWYXNPXKFOC-CABCVRRESA-N	307.434	3.476	10	20	DGCD	
CC[C@H](NCC1([S@](C)=O)CCC1)c1cccc(Cl)c1O	287115042	QSJPOMXCEFOFID-RBZFPXEDSA-N	315.866	3.388	10	20	DGCD	
CC[C@H](NCC1([S@@](C)=O)CCC1)c1cccc(Cl)c1O	287115048	QSJPOMXCEFOFID-RNODOKPDSA-N	315.866	3.388	10	20	DGCD	
Cc1cccc(OCCCCC(=O)NCc2ccc(N)cc2)c1	297323964	XBQNZHRIGJGQSO-UHFFFAOYSA-N	312.413	3.443	10	20	DGCD	
Cc1cnn(C)c1CN(Cc1ccco1)Cc1ccccc1O	809538420	FMRVFSRZTXAOIX-UHFFFAOYSA-N	311.385	3.230	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCc3cccc(F)c32)c1O	809766982	CWQUCYYHASAZMY-UHFFFAOYSA-N	318.304	3.011	10	20	DGCD	
CCCc1[nH]ccc1C(=O)N[C@H](C)c1cc(OC)ccc1O	817550487	VYFIUOXAEOSNAG-LLVKDONJSA-N	302.374	3.172	10	20	DGCD	
C[C@H](NC[C@@H]1NCCc2ccccc21)c1ccc(N(C)C)cc1	817973359	DOBHJONLZKNNOC-YWZLYKJASA-N	309.457	3.290	10	20	DGCD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccccc1O	827952201	JJYOKZGUFSYQJI-UHOFOFEASA-N	311.381	3.382	10	20	DGCD	
C[C@@H](NC(=O)c1cccc2c1OCCCO2)c1ccccc1O	827952570	XRQLVFJYAUALOO-GFCCVEGCSA-N	313.353	3.045	10	20	DGCD	
COC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)c(C)cc1O)CC2	824819261	MWTDRGPGHRQIJY-ZDUSSCGKSA-N	323.820	3.129	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]c2nccc-2c1	827323054	FMJJTDNKSLWTPV-UHFFFAOYSA-N	321.380	3.029	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)/C=C\[C@H]2CCOC2)cc1	822269708	SYTHDRKXAQEFNH-NLZINVLXSA-N	316.445	3.084	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC2=CCCOC2)cc1F	827185264	QABLGZCHWFRRMO-UHFFFAOYSA-N	306.425	3.450	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC(COc2ccccc2)CC1	731870349	NWFKMHYRYUPRPS-UHFFFAOYSA-N	317.410	3.385	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1CCCCO1	839918933	DRLGOHQBMHFOJN-YJBOKZPZSA-N	318.461	3.067	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](F)C3)c2C)cc1	836821379	YEFZVFPQASXZJV-AWEZNQCLSA-N	316.376	3.287	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCOCC2CCCC2)c1	834910359	OJKVCKZRAWXPGB-ZDUSSCGKSA-N	321.417	3.036	10	20	DGCD	
C[C@H](NC(=O)NCc1ccccc1O)c1c(F)cccc1F	748460319	NXUDPUNMILQBIP-JTQLQIEISA-N	306.312	3.231	10	20	DGCD	
Cc1ccccc1-c1cc(NC(=O)c2cc(O)cs2)n(C)n1	746409462	FBSQTCYQVDXTGQ-UHFFFAOYSA-N	313.382	3.415	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNCCC[C@@H]2CC2(Cl)Cl)c1	846103479	YUGXRJLCDCABGR-SNVBAGLBSA-N	319.188	3.364	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCc2ccccc2NC1=O	848922091	LYJMTGAWYCAWMQ-IBGZPJMESA-N	323.440	3.104	10	20	DGCD	
CC(C)Cn1nccc1CNCc1ccc2c(c1)CCCN2C	842673987	SNHJPTNMZOGMBS-UHFFFAOYSA-N	312.461	3.211	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCc1ccc(Cl)nc1	840934955	ABCDGGSIWIQFEQ-UHFFFAOYSA-N	303.837	3.442	10	20	DGCD	
CCO[C@@H](CC)C(=O)N(Cc1ccco1)Cc1ccccc1O	840397947	VWBFFYXWJIDOKI-KRWDZBQOSA-N	317.385	3.329	10	20	DGCD	
CC(C)(C)[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841960220	YGBUDLNMVRNIRE-OAHLLOKOSA-N	303.450	3.279	10	20	DGCD	
Cc1cc(-c2nc(Cc3ccc(N)cc3)no2)nn1[C@H](C)C1CC1	843159162	LVVMVLXBHYFSKT-GFCCVEGCSA-N	323.400	3.386	10	20	DGCD	
CCC/C(C)=C\C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920882530	RRIOTQOUASBWGW-YARYAAFXSA-N	316.445	3.447	10	20	DGCD	
CC(C)[C@@H](O)C1(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1	756792204	ZWWGUFCLFNUFQF-CJBNDPTMSA-N	307.409	3.466	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1C	750827074	VJTVNYCWBRCLNJ-BLLLJJGKSA-N	322.424	3.039	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2CCCN(CC3CC3)C2)c1	853241516	WKFIPNZQQOOZBV-DOTOQJQBSA-N	302.462	3.473	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(N(CC)CC)cc2)O1	756906775	ASJAYFGGDVLABB-ZWKOTPCHSA-N	318.461	3.449	10	20	DGCD	
CCOc1ccc(O)c(CNCc2c(OC)cccc2OC)c1	850356332	UPDYBOMEJQDMOI-UHFFFAOYSA-N	317.385	3.098	10	20	DGCD	
C[C@@H](NS(=O)(=O)c1ccc(C2CC2)cc1)c1ccccc1O	867835418	ZSQPQJPEVONHJF-GFCCVEGCSA-N	317.410	3.309	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1(C)C	761226439	QBHGMIHNSILEHK-MRXNPFEDSA-N	302.462	3.391	10	20	DGCD	
C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	769148939	VQACGKHSOUASMC-OAHLLOKOSA-N	306.425	3.284	10	20	DGCD	
CC(C)N(Cc1ccc(N2CCOCC2)c(F)c1)CC1CC1	768673107	IJBPZIRPJJOBLO-UHFFFAOYSA-N	306.425	3.283	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1	768950742	SFWYTHOURHFJNR-MRXNPFEDSA-N	323.440	3.492	10	20	DGCD	
Cc1cccc(CNC[C@H](O)Cc2cccc(Cl)c2)c1O	877810988	CIYQIZFVUQZXDF-MRXNPFEDSA-N	305.805	3.047	10	20	DGCD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccccc1O	769362827	KNBMYMKUYVNVDZ-KYJSFNMBSA-N	319.445	3.486	10	20	DGCD	
Cc1cccc(O)c1CN[C@H](C)C[C@@H](O)c1ccc(F)cc1	877128381	GOHRIUMDNUDBGV-FZKQIMNGSA-N	303.377	3.442	10	20	DGCD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)/C=C/c1ccc(O)c(O)c1	779499614	NPUHDFFYRGQPBQ-VCIFKONDSA-N	309.365	3.223	10	20	DGCD	
COc1cc(O)c(CN2CC[C@@H](C)C3(CCC3)C2)cc1OC	770671021	WEDZATZORCXKJU-CYBMUJFWSA-N	305.418	3.422	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3CCC[C@@H]3OC)CC2)cc1	775420490	XSLDJRPBJMAQMM-KXBFYZLASA-N	318.461	3.069	10	20	DGCD	
CN1CCCC(C)(C)[C@H]1CNCc1ccc(N2CCCC2)cc1	1116863813	OTHRJWWMQQARQM-LJQANCHMSA-N	315.505	3.497	10	20	DGCD	
C[C@H](N[C@H](C)c1nc(C2CC2)no1)c1ccc(N(C)C)cc1	774484993	UHXWWHRAEBGKSI-NWDGAFQWSA-N	300.406	3.425	10	20	DGCD	
CCC(CC)CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773088244	NRVUPHAXQFPJCW-CYBMUJFWSA-N	312.479	3.169	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H]1CCCOC1	780861661	UFSMYTKYDOVCSI-ZBFHGGJFSA-N	320.433	3.129	10	20	DGCD	
CO[C@@]1(C(F)(F)F)CCCN(Cc2cc(C)ccc2O)C1	783716494	AGIBATARRVGCBY-AWEZNQCLSA-N	303.324	3.244	10	20	DGCD	
CCCC[C@](C)(F)C(=O)NCCNCc1ccc(OC)c(C)c1	1130472989	FHCLSJNTHWEQGP-SFHVURJKSA-N	324.440	3.128	10	20	DGCD	
CC[C@H](C)[C@H](O)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	788590851	HBEZBEANPYSSOV-OUJBWJOFSA-N	305.340	3.469	10	20	DGCD	
CCc1ccc(C(=O)O)cc1NCc1cc([N+](=O)[O-])ccc1O	789903527	ZMMLORDODRFCFV-UHFFFAOYSA-N	316.313	3.173	10	20	DGCD	
C[C@H](CNC(=O)Nc1ccc(N)cc1)COCc1ccccc1	390140212	OFLAYMQYNVXYGM-CQSZACIVSA-N	313.401	3.243	10	20	DGCD	
CCCNC(=O)CN(C)c1ccc(OCc2ccccc2)cc1	781963578	KTFDUOTYJFIXMK-UHFFFAOYSA-N	312.413	3.228	10	20	DGCD	
COc1ccc(CCNCc2cc(C)cc(OC)c2O)cc1F	894224856	HGRYKBMYUQSMGF-UHFFFAOYSA-N	319.376	3.189	10	20	DGCD	
C/C=C\C[C@@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F	793083293	BRXDPUWQVCNKMO-ZFDPJTLLSA-N	316.367	3.188	10	20	DGCD	
CC[C@H](NC[C@@]1(N(C)C)CCSC1)c1ccc(F)cc1O	796790820	WABREGQLBSQYHV-HOCLYGCPSA-N	312.454	3.009	10	20	DGCD	
CCOC1(C(=O)N(CC)Cc2ccc(N(C)C)cc2)CCCC1	795752204	HZQGBQKGYWJGRI-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
COCCN(Cc1cc(OC)c(OC)cc1O)[C@H]1CC[C@H](C)C1	790478762	LTIURTFCUZYHMG-ZFWWWQNUSA-N	323.433	3.046	10	20	DGCD	
CCCN(C)C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1323322670	MMNMTTXORSQUFL-IBGZPJMESA-N	315.505	3.451	10	20	DGCD	
O=C(CCCC1CCOCC1)Nc1c(Cl)ccc2nonc12	1327167257	PVXRBWONNSZOGV-UHFFFAOYSA-N	323.780	3.412	10	20	DGCD	
CC[C@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N)cc1	1346739107	NIZMQNSZOIGNKS-SFHVURJKSA-N	309.413	3.315	10	20	DGCD	
CN(Cc1ccc(Cl)cc1O)[C@@H](C(=O)O)c1ccccc1	1606157417	OITWNMJYAAVFIP-OAHLLOKOSA-N	305.761	3.303	10	20	DGCD	
C[C@H](NCc1cc(Cl)ccc1O)c1ncc(C(=O)O)s1	1593293277	SYFDRZBIOJOGNU-ZETCQYMHSA-N	312.778	3.051	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](CC(=O)O)CC(C)C)ccc21	1776876451	ZQLYLOCRBMNGMU-KRWDZBQOSA-N	318.461	3.438	10	20	DGCD	
CCN1CCCc2cc(/C=C\c3cnc(C(=O)O)cn3)ccc21	1776875409	YQHTXWXQQHUIEO-ALCCZGGFSA-N	309.369	3.118	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc(C)c(F)c(C)c2)c1	158444509	GDNDJKKWGBRHFH-UHFFFAOYSA-N	303.333	3.087	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1	20185826	WHNVZPKVIZCGFY-UHFFFAOYSA-N	309.413	3.440	10	20	DGCD	
CCCCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	68535610	ZJHCBKYPVBWXJQ-UHFFFAOYSA-N	304.434	3.062	10	20	DGCD	
CN(C)[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	92938303	HRCTZGZWWQRWBJ-IBGZPJMESA-N	301.478	3.203	10	20	DGCD	
CCN(C)C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	93770025	KFZZGCWVJMMSDK-IBGZPJMESA-N	315.505	3.451	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1ccccc1C(F)(F)F	159000860	BKAFXZNLJICEPR-UHFFFAOYSA-N	311.259	3.047	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccccc2F)c1	171720539	AFDQDXSKAZOPBM-NSHDSACASA-N	318.348	3.100	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1cccc(F)c1	172697157	LEWPMKMHENRUSV-CYBMUJFWSA-N	300.377	3.312	10	20	DGCD	
Cc1cccc(NC(=O)CN(C)Cc2cccc(C)c2O)c1C	179578189	FNOZUAFJWJPZSC-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
C[C@H](NCCCn1cccn1)c1cc(Br)ccc1O	181008789	GNZPKQIBSOIUOO-NSHDSACASA-N	324.222	3.092	10	20	DGCD	
CN1CCCc2cc(CN[C@@H](c3nccn3C)C3CC3)ccc21	183262211	FPPQUNSBGNMIIK-GOSISDBHSA-N	310.445	3.043	10	20	DGCD	
COC[C@H](C)CN[C@H](C)c1cc(Br)ccc1O	185148406	PQKDAEMJLVZWSY-NXEZZACHSA-N	302.212	3.088	10	20	DGCD	
O=[N+]([O-])c1cnc(NCc2ccc(N3CCCC3)cc2)s1	195508597	MISZDZXTTHOSML-UHFFFAOYSA-N	304.375	3.264	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCO[C@@H](C)C2)cc1F	271970071	IDCJXUIFILNOIZ-ZFWWWQNUSA-N	322.424	3.103	10	20	DGCD	
COC[C@H](CN[C@H](C)c1ccc(N2CCCCCC2)cc1)OC	272699685	RTMVZLNDPAEKRP-APWZRJJASA-N	320.477	3.379	10	20	DGCD	
COC(=O)Nc1cccc(CNCc2ccc3c(c2)CCO3)c1	285533187	PGGZAIBHSTUBAM-UHFFFAOYSA-N	312.369	3.090	10	20	DGCD	
CC[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1O	285791348	USHYUERWQUBCDO-LSDHHAIUSA-N	303.381	3.383	10	20	DGCD	
CC[C@@H](NCCN1CCSCC1)c1cccc(Cl)c1O	287783636	SICVLXWCVCHMRV-CQSZACIVSA-N	314.882	3.135	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)CSC3CC3)cc2)CC1	294771157	ZCLROIHQIMCKTP-UHFFFAOYSA-N	318.486	3.435	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2	298575532	RVNMDLOTNURJKD-AWEZNQCLSA-N	323.440	3.488	10	20	DGCD	
Cc1nc(NCc2ccc3c(c2)CCCN3C)ccc1[N+](=O)[O-]	301636704	LCAXPTPIVUYEAO-UHFFFAOYSA-N	312.373	3.293	10	20	DGCD	
C[C@@H](Nc1ncc(Br)cn1)c1ccc(N(C)C)cc1	302415728	NJIXSPQNEHLMTD-SNVBAGLBSA-N	321.222	3.478	10	20	DGCD	
CS[C@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C	349805543	WIUYDWKMHSEXRZ-LLVKDONJSA-N	305.447	3.037	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1c1ccco1	371791803	CLGQVEBXFUPZLG-HUUCEWRRSA-N	311.381	3.284	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1csnn1	398377675	LXSXAOYAEGSIAD-CYBMUJFWSA-N	302.447	3.379	10	20	DGCD	
CCc1ccc(O)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	729277640	GKLZEJFEAWOUQF-NSHDSACASA-N	315.369	3.160	10	20	DGCD	
CC[C@H](OC)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	743928307	ADTBPPDCNSUTIW-SFHVURJKSA-N	318.461	3.497	10	20	DGCD	
O=S(=O)(NCc1ccccc1O)c1ccc2ccccc2c1	751148933	CSZNISVSLRZJPK-UHFFFAOYSA-N	313.378	3.024	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CC(=O)N(C(C)(C)C)C2)c2c(O)ccc(F)c21	756736443	NWIMQEAFIMBAJS-MDZLAQPJSA-N	320.408	3.069	10	20	DGCD	
Cc1ccc(O)c(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)c1	769461811	WVMFHDOZGIQROK-GOSISDBHSA-N	324.424	3.328	10	20	DGCD	
CC(C)(C)c1ncc(/C=C\C(=O)N2CCc3ncccc32)s1	770226585	CEIKQSQIBDETNV-SREVYHEPSA-N	313.426	3.438	10	20	DGCD	
CC(=O)NCc1ccc(NCc2c(O)cccc2Cl)cc1	770567279	ZIRYMMXRKVUOTA-UHFFFAOYSA-N	304.777	3.294	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCOC[C@@H]2C)cc1	773141972	VEQGOAYZJMBSSM-INIZCTEOSA-N	312.413	3.345	10	20	DGCD	
CC[C@H](N[C@H](CCO)COC)c1ccc(Cl)c(Cl)c1O	775510300	ZWPJNKAMTVIWJL-SKDRFNHKSA-N	322.232	3.137	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)COc3cnn(C)c3)c2C)c1	788506225	RQYOZQPKJXCUHZ-UHFFFAOYSA-N	323.396	3.398	10	20	DGCD	
COc1ccc(O)c(CNc2ncnc3scc(C)c23)c1	794783344	MCQNIMCWLGUNCH-UHFFFAOYSA-N	301.371	3.326	10	20	DGCD	
O=S(=O)(NCc1ccccc1O)c1csc2ccccc12	795850473	KKTXZIYLPUVIDN-UHFFFAOYSA-N	319.407	3.085	10	20	DGCD	
C[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1	798393726	YEVYUYRIRWFJRI-OCCSQVGLSA-N	307.413	3.127	10	20	DGCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cccc(F)c1	808113514	BQXARUGKNKSSGV-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
CCN(CCCN1CCCC1)Cc1ccc(N(C)C)c(F)c1	809749211	CTOWQODEKBRKMW-UHFFFAOYSA-N	307.457	3.200	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(F)c1O)[C@@H](O)c1ccccc1	809786745	JYBKEOMHBUEHND-ZUZCIYMTSA-N	309.768	3.396	10	20	DGCD	
Cc1cc(CCNC(=O)c2cccc(O)c2O)ccc1Cl	812585991	OAZIDAWJULTGMC-UHFFFAOYSA-N	305.761	3.032	10	20	DGCD	
O=C1COc2c(NCc3cc(Cl)c(F)cc3O)cccc2N1	816614617	ANRFOXWLEIPIDR-UHFFFAOYSA-N	322.723	3.128	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3ccncc3C)C2)cc1	818222413	SHAWGVWERGIILN-INIZCTEOSA-N	311.429	3.015	10	20	DGCD	
CC1(C)C[C@@H](O)CCN(Cc2c(O)ccc(Cl)c2F)C1	825090954	OSIANHGDVKMJTA-JTQLQIEISA-N	301.789	3.168	10	20	DGCD	
Cc1cc(O)c(CNCCCCn2ccnc2C)cc1Cl	825297960	QOKLEWPSCAJBEU-UHFFFAOYSA-N	307.825	3.429	10	20	DGCD	
CCCCN(CCCO)Cc1ccc(Br)cc1O	825927870	ISOAGGXIMYQOPU-UHFFFAOYSA-N	316.239	3.139	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cccc(Cl)c1O	827751351	TXMJYQKVVMEWQK-BBRMVZONSA-N	311.809	3.257	10	20	DGCD	
CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C	827952388	QTEWSYGSSUCRMQ-IUODEOHRSA-N	321.417	3.183	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCO[C@H](c3ccnn3C)C2)c1	834898141	JKOUUZXRRGCFBT-DEYYWGMASA-N	315.417	3.005	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)c1ccc(F)c(F)c1	840927716	APRWJRPOAIEKCV-GOSISDBHSA-N	320.383	3.162	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1nc(-c2ccccc2)n[nH]1	840936089	GTFPQOITPQGQSA-UHFFFAOYSA-N	321.428	3.136	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC(OC2CCC2)CC1	841688065	ZGCNBHLEBOANTH-UHFFFAOYSA-N	312.413	3.474	10	20	DGCD	
C[C@@H](NCCCNC(=O)C1CCC1)c1ccc(Cl)cc1O	841752881	VJCRLVYMODQYKK-LLVKDONJSA-N	310.825	3.003	10	20	DGCD	
CC(C)[C@H]1C[C@@H](Cc2nc(Cc3ccc(N)cc3)no2)CCO1	843158652	FRECRUFKIHLCDE-GOEBONIOSA-N	315.417	3.236	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(CN)cc2F)cc1	844905408	YZUIHTWTXLWIGB-UHFFFAOYSA-N	315.436	3.420	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1csc(NC2CC2)n1	846474597	WESVXMLDSLGYBJ-UHFFFAOYSA-N	323.805	3.006	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H]2CNCC[C@@H]2c2cccc(F)c2)c1	849349834	KNXCJVORFWHJIW-QZTJIDSGSA-N	314.404	3.075	10	20	DGCD	
COc1cccc(CNCCc2cn(C)c3ccccc23)c1O	850379967	LBYOXYCRAZQCHE-UHFFFAOYSA-N	310.397	3.225	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCCN(CC3CC3)C2)c1	853239392	GODGBDYLXRZOSR-HOCLYGCPSA-N	318.461	3.173	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1cnc[nH]1	855134444	OLWVPDUWKRTPRI-UHFFFAOYSA-N	314.414	3.151	10	20	DGCD	
CO/C(=C/c1ccccc1)C(=O)NCc1ccc(N(C)C)cc1C	857126531	DUNHPPXDVKXGQK-CPNJWEJPSA-N	324.424	3.365	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@](O)(c3ccccc3)C2)cc1	859588509	IWANKTZQCBTVLB-FQEVSTJZSA-N	310.441	3.236	10	20	DGCD	
COCc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)cc1	868044638	OWBIRXXKHILIMD-CYBMUJFWSA-N	314.385	3.099	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cccnc2)cc1Cn1cccn1	873009246	ZXSJQOLSXSDHFV-HNNXBMFYSA-N	322.412	3.186	10	20	DGCD	
CC(=O)Nc1ccc2c(c1)CN(Cc1cc(C)ccc1O)CC2	877817409	VPNIAIXPLJVXKN-UHFFFAOYSA-N	310.397	3.217	10	20	DGCD	
C[C@H](NC[C@@H](O)c1c(F)cccc1F)c1c(O)cccc1F	886550434	ZTVASUZNRBXMMG-LKFCYVNXSA-N	311.303	3.194	10	20	DGCD	
COc1ccc(CNCCc2c(F)cccc2F)c(O)c1OC	892613790	AFHYVNZXMQYBHK-UHFFFAOYSA-N	323.339	3.020	10	20	DGCD	
COCCN(Cc1ccc(OC)c(OC)c1O)[C@@H]1CC[C@@H](C)C1	893998786	AEXJROOFRSSOLS-UKRRQHHQSA-N	323.433	3.046	10	20	DGCD	
COc1cc(C)cc(CNCCOc2ccc(F)cc2)c1O	894165385	QDQUPZRWWRPWCQ-UHFFFAOYSA-N	305.349	3.017	10	20	DGCD	
COc1cc(C)cc(CNc2ccc3c(c2)OCCO3)c1O	894196760	BHLDBHHBQSLMGU-UHFFFAOYSA-N	301.342	3.093	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc2oncc2c1	905070330	LHDBXUKGIMAKPA-ZROIWOOFSA-N	313.382	3.284	10	20	DGCD	
C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(O)cc1O	910949060	DRZMMTZKNMXMNC-CQSZACIVSA-N	313.397	3.373	10	20	DGCD	
CC(=O)Nc1ccc(CNCc2ccc3c(c2)CCCO3)cc1	921504914	SMOZZCMPBVLDJA-UHFFFAOYSA-N	310.397	3.260	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCCC2(CCNCC2)C1	1204742218	KLRGQMSVWKAXQJ-UHFFFAOYSA-N	312.816	3.150	10	20	DGCD	
CC[C@H](NCC[C@H](C)NC)c1cc(Br)ccc1O	1261424270	QIVAIWKJANNZLA-GWCFXTLKSA-N	315.255	3.193	10	20	DGCD	
C[C@@H](CCCC(=O)O)NCc1cc(Cl)cc(Cl)c1O	1321907884	WVOJGSSXLXYGKL-QMMMGPOBSA-N	306.189	3.432	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C[C@H](C)C3CC3)CC2)cc1	1324627422	RSUSSZRETVRGOX-HNNXBMFYSA-N	316.445	3.170	10	20	DGCD	
COC(=O)[C@@H]1CC[C@H](N[C@H]2C[C@H](C)c3c(C)ccc(O)c32)C1	1331985065	VMAXFNRSTOCVMV-CRWXNKLISA-N	303.402	3.180	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@H]2c2cccs2)cc1	1336289853	ATUGOQODMRTSDW-AWEZNQCLSA-N	301.415	3.377	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC(NC2CCC2)CC1	1343320207	QVMVESIVNWHFDL-UHFFFAOYSA-N	313.489	3.393	10	20	DGCD	
N[C@H]1CC=C(C(=O)N2CCCSc3cc(Cl)ccc32)C1	1580170909	BBOUBPWVRLNDBA-LBPRGKRZSA-N	308.834	3.216	10	20	DGCD	
O=C(O)c1cnc(SCC(=O)C2CCC(F)(F)CC2)s1	1602536995	JRSZNRXFPHKDGZ-UHFFFAOYSA-N	321.370	3.328	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3[nH]ccc3c2)c1	107767637	SBKXTRRXFJZCGU-LLVKDONJSA-N	310.353	3.373	10	20	DGCD	
C[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1	123895365	QZRRAOBLIYCMKJ-RHSMWYFYSA-N	301.434	3.299	10	20	DGCD	
Oc1cc2c(cc1CN1CCOC3(CCCCCC3)C1)OCO2	126328466	BRLSQTWUXCWCNW-UHFFFAOYSA-N	319.401	3.046	10	20	DGCD	
CCOc1cccc(CN2CCN(C3CCCCC3)CC2)c1O	126490265	AZLCCJKXSBVOJI-UHFFFAOYSA-N	318.461	3.241	10	20	DGCD	
OCCSCc1ccnc(NCc2c(O)cccc2Cl)c1	130161008	XNYPTBKYZANQKZ-UHFFFAOYSA-N	324.833	3.278	10	20	DGCD	
CCCC[C@H](COC)NC(=O)NCc1ccc(N(C)C)cc1C	133327549	IEJUNYRMIKOUKS-MRXNPFEDSA-N	321.465	3.065	10	20	DGCD	
CCOc1ccc(N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1	150729118	KWDYQJXRZCKRPT-UHFFFAOYSA-N	315.398	3.020	10	20	DGCD	
Cc1cc(O)c(CNC[C@@](C)(O)c2ccc(F)cc2)cc1C	157777168	IYCCIGLOFQSXAZ-GOSISDBHSA-N	303.377	3.145	10	20	DGCD	
C[C@]1(c2ccccc2)CCCN(C(=O)Cc2ccc(N)cc2)C1	158612683	WSRXCWLPLLVIDR-FQEVSTJZSA-N	308.425	3.392	10	20	DGCD	
Cc1ncccc1/C=C1\SC(NC2CCCCC2)=NC1=O	171418519	GTXQJASEYLJDFV-UVTDQMKNSA-N	301.415	3.283	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C[S@@](C)=O)c2ccccc2)cc1C	182107723	VVDVMTDZKVEYRT-VGOFRKELSA-N	317.454	3.218	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cccc3c2OCCO3)c1	182412005	IHHLZPWEPCKXQW-LBPRGKRZSA-N	315.369	3.023	10	20	DGCD	
CC[C@@H](C)[C@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	183257184	SRGIHZBUSMVFPD-CVEARBPZSA-N	318.461	3.416	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](OC)c2ccccc2)c1	185101856	JBWVEXFXVSRCKB-UGSOOPFHSA-N	301.386	3.439	10	20	DGCD	
c1ccc([C@@H]2OCC[C@H]2CNCc2ccc3c(c2)CCO3)cc1	192374496	HMJLSXIPFOFEQR-ICSRJNTNSA-N	309.409	3.489	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1N	251847910	RMBLKQAFSIOOPO-NOZJJQNGSA-N	303.233	3.258	10	20	DGCD	
COc1ccc([C@H](OC)[C@@H](C)NCc2ccccc2O)cc1	271539106	PFHBEBZOBYJCCA-FZKQIMNGSA-N	301.386	3.267	10	20	DGCD	
C[C@H](N[C@H](C(N)=O)c1ccccc1)c1cc2c(cc1O)CCCC2	273383974	IYNAUPNGFKGXTI-DJJJIMSYSA-N	324.424	3.148	10	20	DGCD	
C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1O	276972987	ULSZQIZZWAPDOX-MNOVXSKESA-N	313.344	3.007	10	20	DGCD	
COCCN(Cc1cccnc1)Cc1cc(C)c(C)cc1O	289496730	SHJHEJZIPAYUHC-UHFFFAOYSA-N	300.402	3.053	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@H]1CCO[C@@]3(CCSC3)C1)CC2	297028280	UQHWBLGCCOCYDT-VBQJREDUSA-N	305.443	3.024	10	20	DGCD	
CSCC[C@H](C)N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	317413676	TZVGZSKSUGVWKG-XOIDGJRKSA-N	324.402	3.270	10	20	DGCD	
Cn1nccc1[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	372433485	JFYJZFNIIRALJH-LBPRGKRZSA-N	305.809	3.159	10	20	DGCD	
Cc1ccc(C[C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)s1	588407004	HVKCYHHRFSTIFN-UIJKISKDSA-N	317.410	3.228	10	20	DGCD	
Cc1ccc(CNCc2c(O)cccc2Br)nc1C	706831688	LECLENXEONGPMZ-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCN(C)C(C)C	726195264	VQWDLXDBERXBHB-UHFFFAOYSA-N	319.474	3.226	10	20	DGCD	
CCc1cccc(C)c1NC(=O)COC(=O)c1cc(O)cs1	732353719	SSWJELFSBUPJGY-UHFFFAOYSA-N	319.382	3.120	10	20	DGCD	
Cc1nc(CCC(=O)NCc2ccc(N(C)C)cc2C)cs1	734406573	WCCBIWHTETVEHI-UHFFFAOYSA-N	317.458	3.075	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1	739922931	RSVZDVCWKJKEEH-HUUCEWRRSA-N	304.434	3.026	10	20	DGCD	
Cc1ccc([C@@H](O)CNCc2cc(Cl)cc(Cl)c2O)o1	741262242	UWHKFWHQXXCXOL-LBPRGKRZSA-N	316.184	3.424	10	20	DGCD	
CCO[C@H](C)c1ncc(C(=O)N(C)Cc2ccccc2O)s1	743311095	CGPPIWSAQMFKOQ-LLVKDONJSA-N	320.414	3.218	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCCN(C(C)C)CC2)c1O	750043026	CGGQENXYHMCHFN-UHFFFAOYSA-N	324.852	3.164	10	20	DGCD	
CN1CCc2cc(/C=C3\SC(=S)N(C4CC4)C3=O)ccc21	751527507	WNIUZXOFTDYLHB-ZROIWOOFSA-N	316.451	3.043	10	20	DGCD	
Cc1cc(N(C)C)ccc1NC(=O)c1ccc(C)c(O)c1O	751533278	MFRBIHPVOIZUTN-UHFFFAOYSA-N	300.358	3.033	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC2(C)CC2)cc1	752018801	DKJOJPBWAQCTRB-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
O=C(NCCC1CCC1)NCc1c(O)ccc2c1CCCC2	755267594	HPSPWYWGOQPDFS-UHFFFAOYSA-N	302.418	3.260	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@](C)(O)C2CC2)cc1	755438771	FGLPIKWCZZPFFK-IBGZPJMESA-N	318.461	3.042	10	20	DGCD	
COC[C@@H](N[C@@H](C)c1ccc(Br)cc1O)C(C)C	756598754	WSVJRCYYNPFKJE-GXFFZTMASA-N	316.239	3.476	10	20	DGCD	
C[C@@H]1CCc2ccccc2N1C(=O)COc1ccc(N(C)C)cc1	757701834	CUQQVHVOYMTOEM-OAHLLOKOSA-N	324.424	3.499	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl	757857933	TWCNBIWBIAXIMX-STQMWFEESA-N	324.852	3.289	10	20	DGCD	
CN(C)c1ccc(CNc2cccnc2-n2cccn2)cc1F	758457378	NPLPJQJZZIZTIW-UHFFFAOYSA-N	311.364	3.085	10	20	DGCD	
Cc1ccc(OCCCC(=O)NCc2ccccc2O)c(C)c1	767926071	IYBXWGBSNJUEHT-UHFFFAOYSA-N	313.397	3.484	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(F)F	769121062	PDLYMNBLTXTULN-UHFFFAOYSA-N	313.348	3.282	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@@H]2C2CCCCC2)c1O	775049111	SNWNIHATRXKQIL-KGLIPLIRSA-N	320.389	3.367	10	20	DGCD	
CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776250594	WBUNSRXRRUWJPP-IJEWVQPXSA-N	319.449	3.023	10	20	DGCD	
CC[C@@H](C)n1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C	779543816	FVEQORYVUVMLKF-BPOWMSRESA-N	315.373	3.226	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCS2)cc1	783036537	DDTYCHWROOIVIE-INIZCTEOSA-N	306.475	3.435	10	20	DGCD	
COc1cc(N2C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])cc1OC	784180173	CGERCJHHEAVZHJ-LLVKDONJSA-N	308.378	3.484	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCC(F)(F)c1ccccc1	788850497	LTLNTJLJCUYCDM-UHFFFAOYSA-N	320.339	3.326	10	20	DGCD	
CC[C@@H](NC[C@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1O	794791927	CQBMMUKKBFGFRA-FUHWJXTLSA-N	320.477	3.098	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCCO[C@@H]2CCOC2)c1O	808702132	SGUGSJUTNZIMRS-GXTWGEPZSA-N	313.825	3.200	10	20	DGCD	
COCC[C@H]1COCCN1Cc1cc(C)cc(C(C)(C)C)c1O	812302385	WNKKIANIRQHMRS-INIZCTEOSA-N	321.461	3.235	10	20	DGCD	
CCc1nn(C)c(Cl)c1CN[C@@H](C)c1cc(OC)ccc1O	813331506	QDKBJHSZQYZWDW-JTQLQIEISA-N	323.824	3.201	10	20	DGCD	
COC1([C@@H](C)N[C@H](C)c2cc(Cl)ccc2O)CCOCC1	817587679	HDCVZRPLRYVVJW-VXGBXAGGSA-N	313.825	3.280	10	20	DGCD	
C[C@H](N)CCN[C@H](C)c1cc(Br)cc(Cl)c1O	817953470	PKUGZWMJRIRMPX-JGVFFNPUSA-N	321.646	3.196	10	20	DGCD	
CC/C(C)=C(\C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819586335	NPLAGBOCSVNPTA-IYOXOMEYSA-N	316.445	3.384	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccc(CF)cc3)ccc21	824676480	LWCADHPKCGDEGR-UHFFFAOYSA-N	312.388	3.469	10	20	DGCD	
C[C@@H](CNCc1ccc(Br)cc1O)c1ccncc1	825325788	JVIRRTUZTMEZQR-NSHDSACASA-N	321.218	3.443	10	20	DGCD	
COc1ccc(C(=O)N[C@H](C)c2ccccc2O)c(C)c1OC	827947046	ZJSYMUCMMCQRRX-GFCCVEGCSA-N	315.369	3.209	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COC(C)(C)CC	837369891	QUFSANSEGMXIIE-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC(c2ccncn2)CC1	840952864	AGKXCABDKSXQDQ-UHFFFAOYSA-N	303.793	3.215	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCC(C)(C)C2(O)CCOCC2)c(O)c1	841761117	DJGYDYNWNIRFHW-HNNXBMFYSA-N	321.461	3.227	10	20	DGCD	
CCCNC(=O)c1ccc(NCc2c(O)cccc2OC)cc1	842214657	OCMVLDCQEYPPLI-UHFFFAOYSA-N	314.385	3.153	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](CNC)C2)cc1F	843044153	FNHXIQXGRQXBLP-MRXNPFEDSA-N	307.457	3.103	10	20	DGCD	
CCCc1cc(NC(=O)NCc2cc(Cl)ccc2O)n(C)n1	844604212	PNTJPVUVDOBXTC-UHFFFAOYSA-N	322.796	3.053	10	20	DGCD	
CCc1cccc(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1O	848905293	GGHJGJPEXCQRGX-VXGBXAGGSA-N	302.422	3.437	10	20	DGCD	
COc1ccc2c(c1)[C@H](C(=O)NCc1ccc(N)cc1)CCC2	848940567	PJIJGMYSQNGSHU-QGZVFWFLSA-N	310.397	3.014	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@H]1Cc1ccccc1)c1ccccc1O	868309310	UBJPAHOYOYCGHS-FRFSOERESA-N	310.397	3.384	10	20	DGCD	
Cc1cccc2c1N[C@H](c1cc(Cl)c(F)cc1O)NC2=O	877846015	OIOYXVYYTUTQTC-AWEZNQCLSA-N	306.724	3.347	10	20	DGCD	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1COCCO1	915128377	IHGDYCPHIBKBSU-INIZCTEOSA-N	311.341	3.456	10	20	DGCD	
C[C@@](O)(CNCc1c(O)cccc1Cl)c1cccc(F)c1	922563846	MLEWYMBNDQAZKP-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
COc1ccc(CNCCCNC(=O)/C=C/C(C)(C)C)cc1C	1155827423	ABMCRLWKRVROEY-MDZDMXLPSA-N	318.461	3.202	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)[C@@H](CO)c1ccccc1	1261256138	XBHLPXCSBPCYFE-FQEVSTJZSA-N	310.441	3.452	10	20	DGCD	
C[C@@H](CO)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1261509645	YPLNBEXVTHEFBK-INIZCTEOSA-N	302.462	3.127	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CCNc3ccccc32)cc1	1263093199	SECUBKHNBWDONM-MRXNPFEDSA-N	323.440	3.358	10	20	DGCD	
O=C(NCCCCOc1ccccc1)NCc1ccccc1O	1318192114	CBABNGCFPKUDTM-UHFFFAOYSA-N	314.385	3.051	10	20	DGCD	
Cc1ccccc1CC(=O)Nc1c(Cl)ccc2nonc12	1320978615	PEOPQVUAVLPOGB-UHFFFAOYSA-N	301.733	3.366	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1CC[C@](O)(C2CC2)C1	1321079051	BZYMYSPFAKNYFW-HXUWFJFHSA-N	309.409	3.406	10	20	DGCD	
Cc1ccccc1OCC(=O)Nc1c(Cl)ccc2nonc12	1324142124	XANOVVLSLROTMJ-UHFFFAOYSA-N	317.732	3.202	10	20	DGCD	
C[C@H](NCc1c(C(=O)O)[nH]c2ccccc12)c1ccccc1O	1599901225	AOYZKYSBQGMNIQ-NSHDSACASA-N	310.353	3.423	10	20	DGCD	
Cc1cccc(CN2[C@H](C(=O)O)CC[C@H]2c2ccccc2)c1O	1600533012	GCHSISXUMJLLSN-IRXDYDNUSA-N	311.381	3.491	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)Cc1ccoc1C(=O)O	1606160653	VQNVWLDJJOFYDQ-UHFFFAOYSA-N	314.385	3.210	10	20	DGCD	
O=C(O)[C@@H]1C[C@H](C2CCCCC2)CN1Cc1ccccc1O	1610736678	YOCJOGPZRURKAE-HOTGVXAUSA-N	303.402	3.248	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)CCCC(C)C)c1	114582034	XABANVUTGRJREM-CYBMUJFWSA-N	308.422	3.415	10	20	DGCD	
CC(C)[C@@H](O)CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	123838577	NAWMRFNJJSVTBH-KDOFPFPSSA-N	308.441	3.484	10	20	DGCD	
CCCNC(=O)CCN[C@H](C)c1ccc(N2CCCCC2)cc1	129874679	KOJZDKJTFGRSJL-MRXNPFEDSA-N	317.477	3.244	10	20	DGCD	
CC[C@](C)(NCc1cc([N+](=O)[O-])ccc1O)c1nccs1	152626053	HFCYAKYVMHYFLV-AWEZNQCLSA-N	307.375	3.172	10	20	DGCD	
CCOc1ccc(N(C)C(=O)/C=C/c2cncc(F)c2)cc1	155125889	YXDUNENPXKVXMZ-RUDMXATFSA-N	300.333	3.296	10	20	DGCD	
CCOCCN(CC)Cc1cccc(Br)c1O	156022045	QANCGKMWUQYHHJ-UHFFFAOYSA-N	302.212	3.013	10	20	DGCD	
Cc1nc(CC(C)C)c(NC(=O)Cc2ccc(N)cc2)s1	161835227	DWHLVZVJTPYFMZ-UHFFFAOYSA-N	303.431	3.413	10	20	DGCD	
CCn1cc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cn1	171143091	VTOJNQUJVOWGLX-WUXMJOGZSA-N	319.411	3.210	10	20	DGCD	
COc1cccc(CNC(=O)NC2[C@@H](C)CCC[C@@H]2C)c1O	175819223	AMELHMVQRKZJDB-RYUDHWBXSA-N	306.406	3.025	10	20	DGCD	
Cc1ccccc1C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	180949871	HIGRXCFKUSIQEN-PLWJUESGSA-N	311.381	3.167	10	20	DGCD	
CCO[C@H]1C[C@@H](NCCCSc2nccs2)C1(C)C	181773878	DVLHPUWNNIACEI-NEPJUHHUSA-N	300.493	3.419	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccccc2o1	183428966	PRWOVICNKWQDJK-LLVKDONJSA-N	311.337	3.205	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccc(F)cc12	183599860	ZIMUXLHARCUCOO-SNVBAGLBSA-N	313.332	3.223	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CC2(Cl)Cl)cc1	193744847	YAGZYRJJJKBCKE-ZDUSSCGKSA-N	315.244	3.343	10	20	DGCD	
CC(C)N(CC1CCC1)C(=O)NCc1ccc(N(C)C)cc1	194785281	IRBOVGOFOBBQQZ-UHFFFAOYSA-N	303.450	3.473	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1cccs1	229766381	OQFUEXFKEQXQFH-KHPPLWFESA-N	300.427	3.486	10	20	DGCD	
N[C@@H]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]12	230126151	KPPIOEMCUDJPDM-DUFXMDAXSA-N	315.244	3.258	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3nccn3C)c2C)c1	264309915	NIYDXFMCSDACFV-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
Cc1cc(C)cc(C2(C(=O)NCCc3ccc(N)cc3)CC2)c1	269150849	QDYORKNFDLWTCJ-UHFFFAOYSA-N	308.425	3.276	10	20	DGCD	
COC[C@H](CN[C@H](C)c1ccc(Cl)c(Cl)c1O)OC	273455799	PLUFLNBCGVPDSK-BDAKNGLRSA-N	308.205	3.011	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2CCOC3(CCC3)C2)c1O	273692956	BOQYNNNJIMSVIN-CYBMUJFWSA-N	311.809	3.246	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCSC2)cc1	279934250	IYTUDRXCRSUMAS-OAHLLOKOSA-N	321.490	3.085	10	20	DGCD	
COc1cc(O)c(CNC[C@H]2CCCC(F)(F)C2)cc1OC	282312522	HASIFFGLLQLWCW-NSHDSACASA-N	315.360	3.325	10	20	DGCD	
CC[C@@H](NCC(C)(C)C(N)=O)c1cc(Cl)cc(Cl)c1O	287792453	SVPAMVLCXGYHKU-LLVKDONJSA-N	319.232	3.251	10	20	DGCD	
Cc1nnc(N(C)Cc2ccccc2O)n1Cc1cccs1	290837072	AGIIVWPPCFZCST-UHFFFAOYSA-N	314.414	3.038	10	20	DGCD	
CCOc1cccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O	290952953	QULHPIITXSCJEE-AEFFLSMTSA-N	317.429	3.324	10	20	DGCD	
CC[C@H](N[C@@H]1CO[C@@H](C)C1)c1cc(Br)ccc1O	401993776	MTYFVTCZOFDIDC-GAFUQQFSSA-N	314.223	3.373	10	20	DGCD	
CO[C@](C)(CNCc1ccccc1O)COCc1ccccc1	702820088	SBDKMFOVCYHANP-LJQANCHMSA-N	315.413	3.104	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1CCC2	734406572	WABDZESYQYKPAP-UHFFFAOYSA-N	308.425	3.480	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)C[C@@H](C)C1	734687960	ZQTZWYTYBKWOHG-ZIAGYGMSSA-N	303.450	3.249	10	20	DGCD	
COc1ccc(N(CC(=O)Nc2nccs2)CC(C)C)cc1	746170913	YIOFJTIZQQPMAM-UHFFFAOYSA-N	319.430	3.253	10	20	DGCD	
c1cc(N2CCCC2)nc(NCCCSc2nccs2)n1	746460884	MBIZKPBPDNTNHH-UHFFFAOYSA-N	321.475	3.128	10	20	DGCD	
C[C@H](NCCN(C)c1ccccc1)c1cc(F)cc(F)c1O	756379931	DMVIXLYWWDZYPG-LBPRGKRZSA-N	306.356	3.457	10	20	DGCD	
CCC[C@@H](O)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	762431476	SRKNPSTZADSUDM-QGZVFWFLSA-N	314.429	3.293	10	20	DGCD	
CC(C)n1cccc1C(=O)NCc1ccc2c(c1)CCCN2C	764012287	VZCFECVDOYVDAI-UHFFFAOYSA-N	311.429	3.381	10	20	DGCD	
CCOc1ccc(CN(C)CCOc2ccccc2F)c(O)c1	768214089	ZHKBUSMIKQVYED-UHFFFAOYSA-N	319.376	3.441	10	20	DGCD	
CCN(CC)c1ccc(CN(CCC(=O)OC)C(C)C)cc1	769405351	ULUDFEVLKNUEEA-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCC1CCN(C2CC2)CC1	775025221	UCBKZJQXORUZDU-UHFFFAOYSA-N	312.816	3.149	10	20	DGCD	
O=C(NCc1ccc(-c2ccccc2)o1)c1cccc(O)c1O	790557269	ZLGVEHLTGQILQD-UHFFFAOYSA-N	309.321	3.288	10	20	DGCD	
CN1CCN(c2ccc(CN(CC3CC3)C3CCC3)cc2)CC1	793393561	HVEPSDRLKIPJOB-UHFFFAOYSA-N	313.489	3.203	10	20	DGCD	
COc1ccc(O)c(CN2CCC(C)=C(Br)C2)c1	797605890	XMPOAMRDQAZRJT-UHFFFAOYSA-N	312.207	3.275	10	20	DGCD	
CC(C)n1cnc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	798994282	DMCUEQMNSNAMQA-ZDUSSCGKSA-N	300.406	3.021	10	20	DGCD	
CCCN1CCC[C@H]1CNCc1cc(Cl)cc(F)c1O	809716290	SOCJKBTYBCPUDV-ZDUSSCGKSA-N	300.805	3.149	10	20	DGCD	
CCc1cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)ccc1O	813489288	UWUJFOXMSMTTSO-LLVKDONJSA-N	315.369	3.160	10	20	DGCD	
Cc1ccc(C(=O)NC(C)(C)c2ccccc2F)c(O)c1O	817039528	BGPCEOCNMSHUSU-UHFFFAOYSA-N	303.333	3.210	10	20	DGCD	
C[C@H](NC1CCC(N)CC1)c1cc(Br)ccc1O	817947148	LJEKGONJSRFTDL-GCVQQVDUSA-N	313.239	3.075	10	20	DGCD	
Cc1c([C@H](C)NCCc2ccc(N)cc2)nnn1-c1ccccc1	817955955	MCIUZHVOFQUDHF-AWEZNQCLSA-N	321.428	3.051	10	20	DGCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4cc(Cl)c(C)cc4O)[C@H]1[C@H]3C2	825884773	ACRVPAVFBXWUFS-QBUVMHHGSA-N	307.821	3.209	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc(N2CCCCC2)c(C)c1)C1CC1	829077920	PSMXYCPKHMLFMK-SFHVURJKSA-N	316.445	3.027	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1ccn(C(C)C)n1)CCC2	839656093	GRIZJLYSODPLPE-UHFFFAOYSA-N	315.417	3.434	10	20	DGCD	
C[C@@H](NC[C@H](O)Cc1ccccc1)c1ccc(Cl)cc1O	841746552	HTTBRQAZQWDNMV-IUODEOHRSA-N	305.805	3.300	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC3(CC2)CC3(F)F)cc1	844775249	ITFKQOACYHNREJ-UHFFFAOYSA-N	323.387	3.083	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(CC)(CC)C(=O)O)cc1	846710058	CYWOSOKMAQTYJR-UHFFFAOYSA-N	320.433	3.040	10	20	DGCD	
CC[C@@H](C)[C@H](O)CNCc1cc(OC)cc(C(C)(C)C)c1O	850134335	WMOWMVIIHKZRFR-MLGOLLRUSA-N	309.450	3.195	10	20	DGCD	
COc1cc(CN[C@H]2CCC[C@@H]2CCO)c(O)c(C(C)(C)C)c1	850252820	HLVUILHFRNVWKC-DYVFJYSZSA-N	321.461	3.339	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ncccc1F	854373482	GSVIISFWNASULQ-UHFFFAOYSA-N	302.349	3.369	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC(c3cn[nH]c3)CC2)cc1F	862231723	KJZHYMILXOEDIX-UHFFFAOYSA-N	320.387	3.134	10	20	DGCD	
C[C@H]1CCN(Cc2c(O)cccc2Br)CCS1	862346008	JSVZDLIFJRJOCD-JTQLQIEISA-N	316.264	3.482	10	20	DGCD	
COc1cccc(CNCc2ccc(F)c(F)c2N(C)C)c1O	862366202	DEMXYRNVEUXSPU-UHFFFAOYSA-N	322.355	3.035	10	20	DGCD	
C[C@H]1C[C@H]1c1nnc(NCc2cccc(Br)c2O)o1	865295620	IZVKXIFFVOQPST-IONNQARKSA-N	324.178	3.273	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H](N)C2)cc1	870857076	VODFRHFTAOBFMP-IAGOWNOFSA-N	317.477	3.009	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1ccc2nccnc2c1	873052040	KCJTUTITIUZIRQ-UHFFFAOYSA-N	306.413	3.294	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@H](O)Cc2cccc(Cl)c2)c1	873179513	KWZFBBRAMRHKLM-INIZCTEOSA-N	305.805	3.047	10	20	DGCD	
CN(C)c1ccc(/C=C/CN[C@H](CC(=O)O)C(C)(C)C)cc1	904002276	RHHPILYZBUIEJV-FYCOFBDGSA-N	304.434	3.245	10	20	DGCD	
CCO[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	916114586	GUQQSLRRMQKWFK-MSOLQXFVSA-N	316.445	3.060	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)cc1	1319624518	NOBRAEOKCOVGNH-HNNXBMFYSA-N	318.461	3.416	10	20	DGCD	
C[C@H]1CCCN(C(=O)CCN[C@H](C)c2ccc(N(C)C)cc2)C1	1319849243	PRCPFQKJBCLYMK-JKSUJKDBSA-N	317.477	3.052	10	20	DGCD	
CCC[C@@H]1C[C@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1323420853	ZOSXNTLMGMAIOD-NXEZZACHSA-N	323.780	3.410	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCOc1ncccc1F	1325357715	WMHNUIKLDNEYDF-OCCSQVGLSA-N	316.376	3.452	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2C[C@@H](O)C2)c1	1330209517	YSMQNFFPIZEFKV-XBXGTLAGSA-N	318.804	3.001	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC=C(Cl)Cl)c1	1346572153	DYCKJSAGGXMURP-QMMMGPOBSA-N	319.188	3.080	10	20	DGCD	
C[C@H](NCc1cccc(Br)c1O)c1ccccn1	42411771	YXUPCBXSCYRLKH-JTQLQIEISA-N	307.191	3.401	10	20	DGCD	
Oc1cc2c(cc1CN[C@@H]1CCCc3sccc31)OCO2	61360342	RBNJPBOPEWNCPT-GFCCVEGCSA-N	303.383	3.350	10	20	DGCD	
CCn1c(C)cc(/C=C2\SC(=S)N(C3CC3)C2=O)c1C	77448565	YBQNKSKJXKUURM-JYRVWZFOSA-N	306.456	3.488	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1	90178562	SPZFODGSSWFYRY-GOEBONIOSA-N	317.477	3.193	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCCc2cccc(F)c21	105366937	QVPVSWKAMFCPIT-VOTSOKGWSA-N	300.308	3.352	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccc(F)cc2)c1	114543532	AEOZWLUNDWSHPY-GFCCVEGCSA-N	317.360	3.035	10	20	DGCD	
CN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H]1CCCCO1	125349163	LUKGXISHJMNEBN-OAHLLOKOSA-N	307.434	3.396	10	20	DGCD	
CCC(CC)n1nccc1C(=O)N(C)Cc1ccccc1O	126711846	QFCLEKVXTCDNOS-UHFFFAOYSA-N	301.390	3.222	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1CCCC[C@H]1C(F)(F)F	133939449	FCYPPRPGBPHTRK-NWDGAFQWSA-N	301.308	3.377	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	134787602	PBZSVVNTXDSMDX-SCTFDZSOSA-N	303.402	3.009	10	20	DGCD	
O[C@@H](CNCc1ccc2c(c1)CCO2)c1ccc(Cl)c(F)c1	136155538	XEQDSCBHGZGSJS-INIZCTEOSA-N	321.779	3.237	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(C(=O)NCCCSc2nccs2)C1	154594001	MBLYNGIUBGIZHA-VXGBXAGGSA-N	313.492	3.313	10	20	DGCD	
Cn1ccc(/C=C2/SC(=S)N([C@@H]3C[C@@H]4CC[C@@H]3C4)C2=O)c1	160311906	IPYGRALARVKFOW-KEFFPQFOSA-N	318.467	3.415	10	20	DGCD	
COC(C)(C)C[C@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	174557403	FQCCEAFETANHRY-VIFPVBQESA-N	316.785	3.247	10	20	DGCD	
C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCc1ccc(N2CCCC2)cc1	177974451	JPAVXLSUMFIYAD-MDZRGWNJSA-N	301.478	3.105	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccc1O)c1ccc(S(C)(=O)=O)cc1	183454580	MEMRDQCVXLRMMR-CHWSQXEVSA-N	319.426	3.208	10	20	DGCD	
C[C@@H](CO[C@@H]1CCOC1)N[C@@H](C)c1ccc2ccccc2c1O	185673459	UJURBEHJQQPTDF-OFQRWUPVSA-N	315.413	3.390	10	20	DGCD	
COC(=O)N1CCC([C@H](C)N[C@@H](C)c2cc(C)ccc2O)CC1	186764975	YNCCISSTZGQUHU-KBPBESRZSA-N	320.433	3.218	10	20	DGCD	
CCC(C)(C)CNC(=O)NCCCSc1nccs1	190574019	AHQZXCJMELZJIC-UHFFFAOYSA-N	301.481	3.361	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](c2ccccc2)N(C)C)c1	192907333	XXCJFDVYYAQHHO-KBXCAEBGSA-N	314.429	3.354	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1O	273463330	INHXTKDGCVANLE-PSVSLLHZSA-N	307.340	3.443	10	20	DGCD	
CC[C@@H](NCc1cccnc1OCCOC)c1ccccc1O	274863722	DJBPYGYOQLVKBO-MRXNPFEDSA-N	316.401	3.053	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC(C)(C)CN2CCCC2)c1	276592019	AAKJWZJORPYEEL-CQSZACIVSA-N	306.450	3.173	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](O)c1ccccc1	282482425	LUFLCLKSGXZHAK-GOSISDBHSA-N	313.397	3.255	10	20	DGCD	
COc1cc(O)c(CNc2ccc(F)c([C@@H](C)O)c2)cc1OC	289725855	PMWPSLSVYXOPGB-SNVBAGLBSA-N	321.348	3.214	10	20	DGCD	
CCn1cc([C@@H](C)NCc2cc(Cl)cc(OC)c2O)cn1	294966056	XATCXKGQKWNOLI-SNVBAGLBSA-N	309.797	3.121	10	20	DGCD	
CCc1ccc(CC(=O)NCc2ccc3c(c2)CCCN3C)cc1	303806874	BFKMQKJCUYOXCV-UHFFFAOYSA-N	322.452	3.490	10	20	DGCD	
c1cnc(-n2cccn2)c(NCc2ccc(N3CCCC3)cc2)c1	324410410	VRHCAMRQDKDPMB-UHFFFAOYSA-N	319.412	3.480	10	20	DGCD	
Cc1c(CNC(=O)c2ncccc2Cl)n(C)c2ccccc12	352079262	HXWDNGQUNPWRAA-UHFFFAOYSA-N	313.788	3.465	10	20	DGCD	
Cc1c(CNC(=O)c2c[nH]nc2C2CC2)n(C)c2ccccc12	352112801	WODNGBXABDQRCJ-UHFFFAOYSA-N	308.385	3.017	10	20	DGCD	
CC[C@H](N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(N(C)C)cc1	374527101	NUMPGFNRBXNERQ-YTQUADARSA-N	318.461	3.131	10	20	DGCD	
CC(C)SCCNCc1cc(Br)ccc1O	380749737	TZJXJCLVFIJEGJ-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
CC(C)OCCCN(C)Cc1cccc(Br)c1O	382794538	IHIUAHXXRRBFJX-UHFFFAOYSA-N	316.239	3.402	10	20	DGCD	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCc2ccccc2O)C1(C)C	397858618	XMMUJHJGPAJLGS-HUUCEWRRSA-N	320.433	3.174	10	20	DGCD	
Cc1cc(C(=O)NCc2c(C)c3ccccc3n2C)ccc1O	473268442	HWHFEAKSNBIBKQ-UHFFFAOYSA-N	308.381	3.431	10	20	DGCD	
C[C@H]1C[C@H](NCc2c(O)cccc2Br)CS1	706872012	BOTHUCYTMRRFLX-IUCAKERBSA-N	302.237	3.138	10	20	DGCD	
CCN(Cc1cn2ccccc2n1)c1ccc(OC)c(OC)c1	728172354	FUNNLSMELMLJSM-UHFFFAOYSA-N	311.385	3.378	10	20	DGCD	
O=C1CCCN1CCCN(Cc1ccccc1O)C1CCCC1	731848329	WKSIBYMYDFYOOR-UHFFFAOYSA-N	316.445	3.149	10	20	DGCD	
COc1cc(CNC(=O)c2cc(O)cs2)ccc1OC(C)C	732271075	ACQWTIBPCKVCFO-UHFFFAOYSA-N	321.398	3.180	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)COC2	743719781	SKGSPOHQBBRGLW-UHFFFAOYSA-N	323.392	3.231	10	20	DGCD	
CC(C)OC(=O)CCN(Cc1ccc(N(C)C)cc1)C1CC1	743841729	UCVQRHQSPYTROH-UHFFFAOYSA-N	304.434	3.059	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCN2C[C@@H](C)C[C@H](C)C2)c1	756422726	NLWKZURQECCJSI-JYJNAYRXSA-N	320.477	3.419	10	20	DGCD	
C[C@H](Nc1cccc2c1oc(=O)n2C)c1cc(F)cc(F)c1O	756857984	ZKROGFFUKZGMPY-QMMMGPOBSA-N	320.295	3.288	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccsc12	762800830	VTCOWEXMDIYVBL-VIFPVBQESA-N	301.371	3.146	10	20	DGCD	
C[C@@H](CC(F)(F)F)NCc1cc(Cl)cc([N+](=O)[O-])c1O	766479804	PLZICSLHODRXKZ-LURJTMIESA-N	312.675	3.384	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC(C)(C)CC3)cc2)CC1	775678706	INJXUUMKLWGAFM-UHFFFAOYSA-N	301.478	3.060	10	20	DGCD	
CC[C@@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)cc2C)CCO1	781642489	QZOIDPFXUPKHMH-CRAIPNDOSA-N	318.461	3.273	10	20	DGCD	
Cc1ccc(C[C@@H](CO)NCc2c(O)cccc2Cl)cc1	786164098	NXIBZAXOHVQFGP-AWEZNQCLSA-N	305.805	3.047	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cnc3ccccc3c2)ccc1O	788139722	NXCXLAYXQHGVIR-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CO)CC2CC2)c(C(F)(F)F)c1	793027246	IMYCRRMYLVEADM-ZDUSSCGKSA-N	316.367	3.022	10	20	DGCD	
Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(C)o1	808115304	WYMKFHVXMSYAKY-UHFFFAOYSA-N	319.741	3.195	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCSC1	809986801	ORVICUQTHYOJHV-HNNXBMFYSA-N	306.475	3.244	10	20	DGCD	
CN(C)c1ccc(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	810002276	WFFFWRDUERHDHH-UHFFFAOYSA-N	317.301	3.148	10	20	DGCD	
O=C(CCCC1CC1)NCc1ccc(N2CCSCC2)cc1	812476014	IPLHMBDJIIGGKS-UHFFFAOYSA-N	318.486	3.436	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H](C(=O)O)CC[C@@H]2C)cc1	817881155	PEYMUBSSQYOOBA-GOEBONIOSA-N	304.434	3.218	10	20	DGCD	
C[C@@H](N[C@@H]1CCCNCC1)c1cc(Cl)c(Cl)cc1O	817968260	IUMXROXXCSAALO-NXEZZACHSA-N	303.233	3.492	10	20	DGCD	
CCOc1ccc(CNCC(C)(C)c2ccccn2)c(O)c1	824583258	KFOSEPPPMIJACT-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O	824723071	ZYGCZFHAPFBVLG-DFBGVHRSSA-N	313.800	3.310	10	20	DGCD	
Cc1cccc(CN(C)Cc2ccc(Br)cc2O)n1	824855271	ICXJBTODUYQKID-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
Oc1c(Cl)cccc1CN[C@@H]1CCO[C@@H](c2ccccn2)C1	825085884	OCKMPHFQQUWLMK-CZUORRHYSA-N	318.804	3.451	10	20	DGCD	
COc1cc(CN2C[C@H](C)[C@](C)(CO)C2)c(O)c(C(C)(C)C)c1	827692386	IIXVKAJMRAJELX-DJJJIMSYSA-N	321.461	3.149	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1ccc(OCC)cc1O	827750526	IPDSLTVUSLSLKQ-AEFFLSMTSA-N	321.417	3.002	10	20	DGCD	
C[C@@H]1CC[C@H](CN[C@H](C)c2ccc(Br)cc2O)O1	834915697	SAKSKZRZLNNRLQ-CKYFFXLPSA-N	314.223	3.373	10	20	DGCD	
CC1(C)C[C@@H](CNCc2cc(Cl)c(F)cc2O)CCO1	835060592	RVWXCURQYCGVFO-JTQLQIEISA-N	301.789	3.480	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC2CCCCCC2)c1	838474886	UCLKXNFRTGWJCK-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CS[C@@H](C)C2)c(C)n1-c1ccccn1	839829428	HMHIQRIUNOSONL-JSGCOSHPSA-N	315.442	3.113	10	20	DGCD	
COc1ccc([C@@H](CO)CN[C@H](C)c2ccc(C)cc2O)cc1	840808810	MRILIEHZFBJMII-GDBMZVCRSA-N	315.413	3.136	10	20	DGCD	
C[C@H](N)c1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1	841027988	ISABAZAEKOTAHX-INIZCTEOSA-N	324.472	3.070	10	20	DGCD	
C[C@@H](c1ccco1)N(C(=O)NCCc1ccc(N)cc1)C1CC1	841957360	IMPRSMRPUUWQNX-ZDUSSCGKSA-N	313.401	3.340	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CCCCN	841994555	JAOFFSFKDPHJNV-OAHLLOKOSA-N	321.465	3.221	10	20	DGCD	
Cc1cc(CN[C@@H](C)[C@@H](C)C(=O)O)ccc1N1CCCCC1	846228775	OTQDKNNAUDQAGD-CABCVRRESA-N	304.434	3.184	10	20	DGCD	
CC/C(C)=C(\C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856213009	URJPESRRFGZFIU-CCEZHUSRSA-N	316.445	3.010	10	20	DGCD	
CN1CCC[C@H](c2cccc(C(=O)NCc3ccccc3O)c2)C1	857094149	UENNUCOZENVDOC-SFHVURJKSA-N	324.424	3.131	10	20	DGCD	
CCOCc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)ccc1OC	865754567	WVUNDCFIJDNOQD-CHWSQXEVSA-N	303.324	3.272	10	20	DGCD	
CCc1oc(C(=O)OC)cc1CN[C@H](C)c1ccccc1O	879648175	BRKDCHWABNZWGH-LLVKDONJSA-N	303.358	3.185	10	20	DGCD	
COc1cc(C)cc(CNc2ccc(N(C)C(C)=O)cc2)c1O	894115755	CAZRNIIGMSJLDZ-UHFFFAOYSA-N	314.385	3.304	10	20	DGCD	
COc1ccc(O)c(CNC(C)(C)[C@H](O)c2ccccc2)c1	895658137	HSUOQIBAYCGUOI-QGZVFWFLSA-N	301.386	3.003	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CNc1ccccn1	908045923	VLWVCCOZNAIEQF-UHFFFAOYSA-N	313.401	3.028	10	20	DGCD	
Cc1ccsc1CCCC(=O)NCc1ccc(O)cc1O	910950618	YPMYPOXIALDWMY-UHFFFAOYSA-N	305.399	3.107	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)C1CCCCC1	1118270209	YISPOWWEDPYOIY-SFHVURJKSA-N	317.477	3.009	10	20	DGCD	
COc1ccc(CN(C)[C@@H]2CC[C@@H](SC)C2)c(O)c1OC	1262357185	BSCHMLKRCRXYGM-CHWSQXEVSA-N	311.447	3.125	10	20	DGCD	
CCCCCCOCC(=O)Nc1c(Cl)ccc2nonc12	1324141872	PBPUHCDNGZUWFJ-UHFFFAOYSA-N	311.769	3.412	10	20	DGCD	
Cn1nccc1[C@H]1CCCCN1Cc1cc(F)cc(F)c1O	1332706047	CHVQKTAVGPCVOJ-OAHLLOKOSA-N	307.344	3.131	10	20	DGCD	
CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N)cc2)c1	1335399393	ZRIGEZMNYYRDBH-ZDUSSCGKSA-N	313.401	3.228	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(C2[C@H]3CCCC[C@H]23)n1C	1338596207	BSEUALXWRDRWJD-KBPBESRZSA-N	312.417	3.061	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)COc1ccc(F)cc1Cl	42116539	PUIRVIBYIPLBEO-UHFFFAOYSA-N	323.751	3.222	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)N1CCCCCC1	76074507	RQCNLKNOWOWRPU-MRXNPFEDSA-N	318.461	3.395	10	20	DGCD	
CCOCCN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1	89222853	LMWXNVQHEJYXOD-UHFFFAOYSA-N	300.402	3.203	10	20	DGCD	
C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	124808626	GVEPEFQCIVNYJL-ACJLOTCBSA-N	302.393	3.276	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@@H]1CCO[C@@]2(CCSC2)C1	151423179	QCQWZRCUAGRHDU-HIFRSBDPSA-N	313.850	3.190	10	20	DGCD	
Cc1cc(C(=O)N(C)[C@@H]2CCSC2)c(C)n1-c1ccccn1	162583841	NOQVSKJQSQKXPM-CQSZACIVSA-N	315.442	3.067	10	20	DGCD	
CC[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	163404625	KOCNGQDYFAZUTR-LBPRGKRZSA-N	316.367	3.430	10	20	DGCD	
CCc1cnc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)s1	174219021	VDRZEOINTOMADW-SECBINFHSA-N	321.402	3.302	10	20	DGCD	
CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C)c(O)c1O	182483366	VVYUTPAABSZDLD-AWEZNQCLSA-N	300.358	3.025	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2ncccc2Cl)c1	186107091	IMGYEBZSFDMZRM-LLVKDONJSA-N	322.792	3.179	10	20	DGCD	
COC(=O)[C@H](NCc1cc(F)ccc1O)c1cc(C)cc(C)c1	189635507	NYVGRWAVCJNYKS-QGZVFWFLSA-N	317.360	3.152	10	20	DGCD	
COc1cc(C)cc(CN2CCC([C@@H]3CCCO3)CC2)c1O	190180747	WQYYJDSAPBWZGU-INIZCTEOSA-N	305.418	3.100	10	20	DGCD	
CCCCO[C@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)C1(C)C	236864738	FKGKIHLAHCHUIP-IRXDYDNUSA-N	318.461	3.254	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc1	237915181	BKWGLNAAOCQHEQ-MJGOQNOKSA-N	308.425	3.339	10	20	DGCD	
C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O	273512989	RZNLSGQAPVHSGM-OTYXRUKQSA-N	311.303	3.194	10	20	DGCD	
C[C@@H](NC[C@](C)(O)C(F)(F)F)c1cc2c(cc1O)CCCC2	273530758	WECUMMXSFVSHDG-BMIGLBTASA-N	317.351	3.235	10	20	DGCD	
C[C@@H](CO)CCCN[C@H](C)c1ccc(Br)cc1O	273546719	ZNBIJEBFZBRNFC-GHMZBOCLSA-N	316.239	3.214	10	20	DGCD	
C[C@@H]1CCN(C(=O)c2cccc3c2CCNC3)c2ccccc21	323662134	USFIKYYOTBLSLE-CQSZACIVSA-N	306.409	3.486	10	20	DGCD	
CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCO1	376803164	DXMYGNGLZKCAGS-MOPGFXCFSA-N	318.461	3.211	10	20	DGCD	
Cc1ccc(O)c(CN[C@]2(C)CCN(Cc3ccccc3)C2)c1	406135051	MTVSYSMLQPTYDF-HXUWFJFHSA-N	310.441	3.455	10	20	DGCD	
CC[C@@H](NCc1n[nH]cc1Br)c1ccccc1O	718126279	DJGSCLAQLAVPNE-LLVKDONJSA-N	310.195	3.119	10	20	DGCD	
COc1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1	728939127	XPLDRCMDSIUFLX-LLVKDONJSA-N	316.357	3.292	10	20	DGCD	
COc1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1	728939128	XPLDRCMDSIUFLX-NSHDSACASA-N	316.357	3.292	10	20	DGCD	
O=C(NOCc1ccc(C(F)(F)F)cc1)c1cc(O)cs1	747617008	NNMYXSZBQWWRSU-UHFFFAOYSA-N	317.288	3.334	10	20	DGCD	
Cc1cc(NC(=O)N(C)Cc2ccccc2O)cnc1Cl	755014558	VWRIGTDGMDESMD-UHFFFAOYSA-N	305.765	3.413	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC2CCC(F)(F)CC2)c1	756783697	HMYFJHGZJUWGBV-SNVBAGLBSA-N	313.344	3.407	10	20	DGCD	
CCCN(CC(=O)OC(C)(C)C)Cc1cc(OC)c(C)cc1O	758279574	WJRIJMJOLBMBKS-UHFFFAOYSA-N	323.433	3.263	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)c3cscn3)CC2)cc1	768100479	BAGGDTZCKHBQQK-CYBMUJFWSA-N	317.458	3.471	10	20	DGCD	
CCCCN(Cc1ccc(N2CCOCC2)c(F)c1)C1CC1	768290265	DUMALYMLXJQIHX-UHFFFAOYSA-N	306.425	3.427	10	20	DGCD	
COc1ccc(N2CCCN([C@@H](C)c3ncc(C)o3)CC2)cc1	771441786	FSAHBPQTDSQBCR-HNNXBMFYSA-N	315.417	3.265	10	20	DGCD	
C[C@@H](N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C	771787955	WAOGBTXMRBJRSB-OAHLLOKOSA-N	319.493	3.077	10	20	DGCD	
CN1CCN(Cc2ccc(N(C)C)cc2)[C@H](c2ccccc2)C1	771935584	YSFJWXUUVPLEAM-FQEVSTJZSA-N	309.457	3.241	10	20	DGCD	
C[C@@H](NCC(C)(C)CO)c1ccc(N2CCCCC2)c(F)c1	773069331	AZQRGAYPJRXSKZ-CQSZACIVSA-N	308.441	3.485	10	20	DGCD	
C[C@H](c1ccco1)N(C)Cc1ccc(N2CCN(C)CC2)cc1	775650298	YAOKGEUQKUUFNX-MRXNPFEDSA-N	313.445	3.224	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C)CN1C	775987673	VZQRUYNTGBPJGI-VHSXEESVSA-N	303.233	3.223	10	20	DGCD	
COC(=O)[C@H](NCc1cc(C)c(C)cc1O)c1ccccc1F	779178305	NCOHKXRZUREPKZ-QGZVFWFLSA-N	317.360	3.152	10	20	DGCD	
C[C@H](c1ccccn1)N(C)Cc1ccc(N2CCN(C)CC2)cc1	780893853	UFEFUMMCDROJAE-QGZVFWFLSA-N	324.472	3.026	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cccnc3C3CC3)ccc21	783942660	PSFREOKIXOYVEQ-UHFFFAOYSA-N	321.424	3.271	10	20	DGCD	
CC[C@@H](NC1CCN(C(C)=O)CC1)c1cccc(Cl)c1O	806128910	ZFCWSDMIBKEFOQ-OAHLLOKOSA-N	310.825	3.097	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1C[C@H]1C1CC1	807841116	SGTRPESTJLPFOU-WDEREUQCSA-N	300.185	3.361	10	20	DGCD	
C[C@@H](NCc1c(O)ccc(Cl)c1F)[C@@H](O)c1ccccc1	808444725	JUOSUVGWJJIVJB-QLJPJBMISA-N	309.768	3.396	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)ccc2O)c2ccccc2C(=O)N1	811508753	ATTJAASKKYUHPW-LLVKDONJSA-N	316.788	3.184	10	20	DGCD	
CC1(C)CN(Cc2c(O)ccc3ccncc23)[C@@H]1[C@@H]1CCCO1	811776217	LHYWBKQGNGBFRA-ZWKOTPCHSA-N	312.413	3.330	10	20	DGCD	
C[C@@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1	815093050	AFRJUALTGBCQBN-AUUYWEPGSA-N	316.420	3.146	10	20	DGCD	
Cc1ccccc1C[C@H](CO)NCc1cc(Cl)c(F)cc1O	816588484	PHIPQMKDTRQTNX-CQSZACIVSA-N	323.795	3.186	10	20	DGCD	
C[C@H](NCCc1ccc(N)cc1)c1ccc(F)cc1N(C)C	817955757	HARWAKVEOKWYRJ-ZDUSSCGKSA-N	301.409	3.367	10	20	DGCD	
CC[C@H](C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819589951	UWIUFFBEHAKVGM-LSDHHAIUSA-N	304.434	3.074	10	20	DGCD	
Oc1ccc2c(c1CNc1ccc(-c3nn[nH]n3)cc1)CCCC2	823733107	TXPQIAAKJJMQAB-UHFFFAOYSA-N	321.384	3.063	10	20	DGCD	
CN(C)c1ccc(CNCCC2(CO)CC2)c(C(F)(F)F)c1	825040655	RBIQVEFESSIXLX-UHFFFAOYSA-N	316.367	3.024	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C(=O)O)c2ccc(F)cc2)c1	833733371	FQISFHJADXDBRT-QFYYESIMSA-N	319.332	3.016	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1OCCc2ccccc21	840933408	FDHUMYOWLPJBFT-HXUWFJFHSA-N	310.441	3.465	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@H]2CS[C@H](C)C2)c1	840958060	IDCOUISFCWWZPA-MWLCHTKSSA-N	316.264	3.447	10	20	DGCD	
C[C@@H]1[C@@H](CO)CCCN1Cc1ccc(N2CCCCC2)cc1	840978135	LKEMROZDUMYQNJ-SJLPKXTDSA-N	302.462	3.270	10	20	DGCD	
CCCOc1cc(CNCCc2ccc(N)cc2)ccc1OC	841035890	KHUCPPBPCBOCSN-UHFFFAOYSA-N	314.429	3.399	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CCN(CC(F)F)C2)c1O	841761738	KLNYNFXAJKXEAT-ZYHUDNBSSA-N	318.795	3.344	10	20	DGCD	
CCc1cccc(CNCc2ccc(N3CCOCC3)cc2)c1	845924578	BRILXNPVSTXPJF-UHFFFAOYSA-N	310.441	3.375	10	20	DGCD	
CN(C[C@H]1CCC2(CCCC2)O1)c1ccc(OCC(=O)O)cc1	846279583	GXBFSRZBSUNCQY-MRXNPFEDSA-N	319.401	3.078	10	20	DGCD	
CC(=O)c1cc(CN2CCCc3cc(OC(F)F)ccc32)on1	846823411	NSNDHQUAEYEWGB-UHFFFAOYSA-N	322.311	3.431	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2CCN(C3CCCCC3)C2)c1O	850538664	JQIFLJISWVTSLR-GJZGRUSLSA-N	318.461	3.458	10	20	DGCD	
CC[C@@H](O)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	855742056	IPRKDIVIPHIVQM-OAHLLOKOSA-N	320.820	3.248	10	20	DGCD	
CCCN(Cc1cc(F)c(N(C)C)cc1F)CC(C)(C)O	862238706	GQTWCSQBKGJIKX-UHFFFAOYSA-N	300.393	3.014	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2sccc2C)c1	862757900	HYYBTKMAPULPMO-KBPBESRZSA-N	301.411	3.490	10	20	DGCD	
C[C@H](CNCc1c(O)ccc(Cl)c1F)CC1(C)OCCO1	865674802	ZPMCKFCXTBDOOV-JTQLQIEISA-N	317.788	3.064	10	20	DGCD	
Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c(O)c1	876809185	XEOYFNXIRGUXIR-RDJZCZTQSA-N	301.386	3.382	10	20	DGCD	
COc1ccc([C@H](C)NCc2ccc(OC)c(OC)c2O)cc1	892743223	LLSQGKIKFBGABM-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
COc1ccc(CNCCC2C[C@@H](C)O[C@H](C)C2)c(O)c1OC	894277234	GOTDLWWPEBHMPG-CHWSQXEVSA-N	323.433	3.093	10	20	DGCD	
CC(C)CCC(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089804811	UZUNMEBIJBFOCA-UHFFFAOYSA-N	319.424	3.300	10	20	DGCD	
C[C@H]1C[C@H](N2CCCC2)CN1Cc1ccc(N2CCCC2)cc1	1117630218	PNDDIFRFKILZNM-PXNSSMCTSA-N	313.489	3.345	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@H](C)CC(C)(C)C)cc1C	1134797914	VSFQCNQAJSVISX-OAHLLOKOSA-N	320.477	3.282	10	20	DGCD	
CCOc1ncccc1CN[C@H](C)c1cc(F)cc(F)c1O	1321024310	RYSAETMPGKVXIE-SNVBAGLBSA-N	308.328	3.315	10	20	DGCD	
Cc1noc(C)c1[C@H](C)C(=O)Nc1c(Cl)ccc2nonc12	1324856482	BVFCHQDPUWWHHJ-LURJTMIESA-N	320.736	3.223	10	20	DGCD	
Cc1nn(C(C)C)cc1C(=O)Nc1c(Cl)ccc2nonc12	1327589917	PYKYHWAMRIAHBX-UHFFFAOYSA-N	319.752	3.214	10	20	DGCD	
CC(C)c1oncc1C(=O)NCc1ccc(N2CCCC2)cc1	1350892182	LVNJYHCSVONBHA-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](C)[C@@H](C(=O)O)C(C)C)ccc21	1776875115	GPNPCLNHSJHQAZ-KDOFPFPSSA-N	318.461	3.294	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCCO[C@@H](C)C2)cc1	171276578	JKYIPGZZTOWHCN-INIZCTEOSA-N	312.413	3.345	10	20	DGCD	
COCCOc1cccc(CNCc2cc(C)ccc2O)c1	113323833	AUDGIAUPUDWNGQ-UHFFFAOYSA-N	301.386	3.016	10	20	DGCD	
O=C(C[C@@H]1CCCO1)N(Cc1ccco1)Cc1ccccc1O	173673430	VBTBJWFQERREHZ-HNNXBMFYSA-N	315.369	3.083	10	20	DGCD	
CN(C(=O)COc1ccc(N2CCCC2)cc1)c1ccccc1	178191895	BEMYUJLEWXOMRP-UHFFFAOYSA-N	310.397	3.329	10	20	DGCD	
C[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N(C)C)c(F)c1	112803349	RJAIEJIGUGKRSH-CXAGYDPISA-N	322.424	3.103	10	20	DGCD	
Cc1cccc2c1CCN2C(=O)NCc1ccc(N(C)C)cc1	127507840	VUCRURWMJVMUJW-UHFFFAOYSA-N	309.413	3.333	10	20	DGCD	
COc1cccc(CN2CC[C@@]3(C2)OCc2ccccc23)c1O	186442259	XFAGKODFHNOKOV-IBGZPJMESA-N	311.381	3.032	10	20	DGCD	
Oc1c(Br)cccc1CNc1nnc(C2CC2)o1	181512265	FDFLUNIFGLKYJP-UHFFFAOYSA-N	310.151	3.027	10	20	DGCD	
COc1cc(N(C)Cc2cccc(Cl)n2)cc(OC)c1OC	75767494	UFUPXVREXFYIQC-UHFFFAOYSA-N	322.792	3.397	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1cc(F)ccc1O	186148104	ZRVABIVGMVORPY-ZJNRKIDTSA-N	303.377	3.174	10	20	DGCD	
COc1ccc(OC)c(CCN[C@H](C)c2cc(F)ccc2O)c1	185186718	SJBBCTSBIVYWIQ-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@H](c3nnc4ccccn34)C2)c1	121784729	NDWCZZZIMXZNIQ-HNNXBMFYSA-N	322.412	3.123	10	20	DGCD	
Cc1cccc(CN2CCC[C@@H](CC(=O)OC(C)C)C2)c1O	185581109	XFCNVXFDGLVXGK-HNNXBMFYSA-N	305.418	3.254	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cc(F)ccc1O	321328308	JBNHCRWPDACELV-ZJUUUORDSA-N	315.348	3.113	10	20	DGCD	
Cc1cccc(C[C@@H](CO)N[C@H](C)c2cc(F)ccc2O)c1	191603496	GLYHVAAXLANYKJ-CJNGLKHVSA-N	303.377	3.094	10	20	DGCD	
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(N)cc1	237654016	WJYRNUWJORYHND-UHFFFAOYSA-N	307.353	3.413	10	20	DGCD	
COc1cccc([C@@H](CNCc2ccc3c(c2)CCO3)OC)c1	527739700	SPJLKWXKIXLSII-LJQANCHMSA-N	313.397	3.107	10	20	DGCD	
COC[C@@H](NCc1c(C)c2ccccc2n1C)C1CCOCC1	358999746	YHKGSSXDLVMAMU-QGZVFWFLSA-N	316.445	3.018	10	20	DGCD	
O=C(c1c[nH]nc1-c1cccnc1)N1CCc2ccc(Cl)cc21	530748123	OVKYPUUJMQNSRL-UHFFFAOYSA-N	324.771	3.328	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCc1ccc(O)cc1	272658823	RWYXSKFGTIYBDU-UHFFFAOYSA-N	313.397	3.469	10	20	DGCD	
C[C@H](NCCCOC1CCCC1)c1cc([N+](=O)[O-])ccc1O	273466116	DTMQZXJZMFUICU-LBPRGKRZSA-N	308.378	3.300	10	20	DGCD	
c1cc(N2CCCC2)ccc1OCc1nnc2n1CCCCC2	278644218	LUHQWGWTYDNMJY-UHFFFAOYSA-N	312.417	3.184	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H]2CCO[C@@H](C)C2)c1O	271794035	HLUOXRMNHCCOHL-GWCFXTLKSA-N	314.223	3.120	10	20	DGCD	
CC[C@@H](NCCOCC(F)(F)C(F)F)c1ccccc1O	276205176	JXQOARKHVGZSPH-LLVKDONJSA-N	309.303	3.350	10	20	DGCD	
CCOCc1cc(CN[C@@H](COCC)C(C)C)ccc1OC	276680512	LMEYRWHIRYIQHW-KRWDZBQOSA-N	309.450	3.382	10	20	DGCD	
COc1cc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc(OC)c1	273485492	NCKQUKNXEASKFP-SNVBAGLBSA-N	318.329	3.491	10	20	DGCD	
Cc1nscc1C(=O)NCc1cc(Cl)cc(Cl)c1O	807840227	VIECVEFLVNQTIK-UHFFFAOYSA-N	317.197	3.394	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@H]2CCN(C3CC3)C2)c1O	808675592	MNJPYPMPXMDGQZ-CHWSQXEVSA-N	308.853	3.489	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1ccccc1Cn1ccnc1)CC2	296138207	WBJDCJHPYUPIAV-SFHVURJKSA-N	319.408	3.414	10	20	DGCD	
CCOC(=O)C(CC)(CC)NCc1ccc(N(C)C)c(C)c1	815120940	QARZKADCJHYDEY-UHFFFAOYSA-N	306.450	3.273	10	20	DGCD	
Cn1cc(/C=C2\C(=O)N3CCCc4cccc2c43)c(C(F)F)n1	817344945	ADMPMHCOPBKGKU-JYRVWZFOSA-N	315.323	3.191	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)n1cccn1	819523789	BEZXQUPRJUHGML-HNNXBMFYSA-N	315.417	3.369	10	20	DGCD	
CCC[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cccnc1	817942910	RMZKZJRKYOUDFF-OALUTQOASA-N	312.461	3.278	10	20	DGCD	
C=Cc1ccc(CCNC(=O)NCc2ccc(N(C)C)cc2)cc1	812312850	ICQXBNRFJGRJCC-UHFFFAOYSA-N	323.440	3.438	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3ccccc3O)C2)cc1	818220850	NAXCCVHGEOASAD-OAHLLOKOSA-N	312.413	3.017	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1	817938566	NGKWQHKPIXQQLN-SGTLLEGYSA-N	319.399	3.381	10	20	DGCD	
COc1cc(CN2CCC[C@@H]([C@H](C)O)C2)c(O)c(C(C)(C)C)c1	825451665	XGIRRIBGBIMQRU-UONOGXRCSA-N	321.461	3.291	10	20	DGCD	
CCS[C@@H]1CC[C@@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)C1	588405665	HLIWZMDKTPQLOF-RFGQWYDFSA-N	321.442	3.244	10	20	DGCD	
COc1ccc(N2CC[C@H](NC[C@H](N)CCC(C)(C)C)C2)cc1	904376542	BCXOGKRXTIEEDJ-CVEARBPZSA-N	319.493	3.017	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@](C)(O)c2cccc(F)c2)c1O	903310293	PQMODSVJHOHDFS-KZULUSFZSA-N	319.376	3.098	10	20	DGCD	
CC[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	738568021	HOJULRQHMFHONX-LLVKDONJSA-N	308.333	3.417	10	20	DGCD	
C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCCC1	839144620	IHIBCLAXFQFOAB-ZDUSSCGKSA-N	324.415	3.470	10	20	DGCD	
CCn1cnc2c1CCN(Cc1cc3c(cc1O)CCCC3)C2	902551097	OJLGTXXDONXLRY-UHFFFAOYSA-N	311.429	3.046	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)C(C)(C)C)c1	734533601	JAGFGWMYHJTLFU-RYUDHWBXSA-N	308.422	3.443	10	20	DGCD	
COc1cccc([C@@H](C)NCC2(CCO)CCCCC2)c1O	846151517	ZKTSIEJQTKGCJV-CQSZACIVSA-N	307.434	3.384	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C\c1cccnc1	840558560	ZDMFWENYXJBESV-BSDKJSHOSA-N	323.440	3.217	10	20	DGCD	
Cc1nc(C(C)(C)NC(=O)Nc2ccc(N)cc2)sc1C	841299390	BYAAQWSUDNOWCM-UHFFFAOYSA-N	304.419	3.399	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN[C@@H]1CCNC2(CCC2)C1	841088736	AUHKVHQUVGBFBJ-GOSISDBHSA-N	313.489	3.441	10	20	DGCD	
Cc1cc(CNC[C@@H](N)c2ccc(N(C)C)cc2)c(C)s1	841044919	FYBDQAIPSWXVDM-QGZVFWFLSA-N	303.475	3.221	10	20	DGCD	
COc1cccc(F)c1C(=O)N(C)Cc1ccc(N(C)C)cc1	746016173	RVZHKCAORUOZGI-UHFFFAOYSA-N	316.376	3.173	10	20	DGCD	
CC[C@@H](N[C@H](CO)CCF)c1ccc(Cl)c(Cl)c1O	846208013	FHLAAPMCHSIXRH-GZMMTYOYSA-N	310.196	3.460	10	20	DGCD	
COc1cc(C)cc(CN2CC[C@H](CN3CCCCC3)C2)c1O	754740024	FZQMJVXLIBYFGI-MRXNPFEDSA-N	318.461	3.017	10	20	DGCD	
CCN(C(=O)CN(C)c1ccc(OC)c(F)c1)C1CCCCC1	757852309	JRYUXXDECWLRPK-UHFFFAOYSA-N	322.424	3.452	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CNC(=O)C1	851879876	QDBAUNMQBUSBRV-CVEARBPZSA-N	324.424	3.092	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2COc3cc(F)ccc3C2)c1	850537031	MJEXWIGFJRVUNI-WFASDCNBSA-N	301.361	3.494	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2[C@H](C)O)cc1	855868628	YQBJNAFJIUWQGL-MAUKXSAKSA-N	312.413	3.080	10	20	DGCD	
C[C@H](O)C[C@H](C)N[C@@H](C)c1cc(Br)cc(F)c1O	757659029	XGWXQKNRNPXZSQ-CIUDSAMLSA-N	320.202	3.104	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](OC(C)C)C2(C)C)c1	858363380	IRDOIHCNGXJQQV-HOTGVXAUSA-N	320.433	3.092	10	20	DGCD	
CCc1cc(CN[C@@H](C)c2cc(Br)ccc2O)n[nH]1	756571890	GUSYUFIBAHIRLP-VIFPVBQESA-N	324.222	3.291	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CC[C@@H](C2CCOCC2)C1	754783665	NUFHBTFNXFTLRU-MRXNPFEDSA-N	312.413	3.189	10	20	DGCD	
CC(C)C[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)CCO1	868479845	LKCUIUHFTXQGDW-KFWWJZLASA-N	320.433	3.346	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@H]2C[C@@H](OCC)C2(C)C)c1	769472938	LGXBWMNMTFAVAM-DLBZAZTESA-N	307.434	3.426	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2cc(C)ccc2F)cc1OC	766629492	CBYLBPBJDAOBNG-UHFFFAOYSA-N	319.376	3.489	10	20	DGCD	
Cn1c(C2CC2)nc2cc(NC(=O)c3cc(O)cs3)ccc21	761024496	AOZKSNZSBPNOJW-UHFFFAOYSA-N	313.382	3.470	10	20	DGCD	
C[C@@H]1CC[C@@H](C(=O)NCc2cccc(Br)c2O)C1	765770962	UGFRFIIDNWRBIY-NXEZZACHSA-N	312.207	3.207	10	20	DGCD	
COC(C)(C)c1nsc(NCc2ccc(N(C)C)cc2C)n1	865295943	OMGAMVKXMOQDJQ-UHFFFAOYSA-N	320.462	3.406	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC(F)(F)C1	763709300	ULQIJFGNKVSGJR-CYBMUJFWSA-N	311.376	3.048	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@@H]2C[C@@H](OCC)C2(C)C)c1	769472941	LGXBWMNMTFAVAM-IAGOWNOFSA-N	307.434	3.426	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](C)C3(CCC3)C2)c1O	775056787	MKLFGMXUAFOVNO-GFCCVEGCSA-N	320.389	3.321	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1c(O)cccc1F	773413009	JKTFMWGLSRQVHJ-UHFFFAOYSA-N	315.344	3.046	10	20	DGCD	
Oc1cccc(Cl)c1CNCCN1Cc2ccccc2C1	776075567	BSADVEXOGFHUKH-UHFFFAOYSA-N	302.805	3.151	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@H](OC)C(F)(F)F)cc1	777007442	MMMQDERJPJWJEO-FZMZJTMJSA-N	304.356	3.371	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CCc2ccc(O)cc21)c1ccccc1O	875744253	YXMNXRJQFKXCFC-BZNIZROVSA-N	312.369	3.146	10	20	DGCD	
CCOC(=O)[C@@H]1CC[C@@H](N[C@H](C)c2ccccc2O)C[C@@H]1C	877755513	CZOWFVNGMCHQJQ-GBJTYRQASA-N	305.418	3.411	10	20	DGCD	
CC1(NC(=S)N(Cc2ccco2)Cc2ccccc2O)CC1	789173094	KJIXLMLVARKUQQ-UHFFFAOYSA-N	316.426	3.414	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1ccc(OC2COC2)cc1	883098578	SMTMCMWAUCCBHD-UHFFFAOYSA-N	307.296	3.060	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@]2(C)CCO[C@H]2C)cc1	784243210	WACDAYVWMDUHJY-KXBFYZLASA-N	312.413	3.391	10	20	DGCD	
CN(Cc1nc2c(s1)CCCC2)c1ccc2c(c1)OCO2	780778605	NKRXFSKUSNZOKN-UHFFFAOYSA-N	302.399	3.387	10	20	DGCD	
CNC(=O)c1ccc(CN[C@@H](C)c2c(C)cc(C)cc2O)cc1	788521788	YPPOQHHHJGPPNU-AWEZNQCLSA-N	312.413	3.219	10	20	DGCD	
C[C@@H](NC(=O)c1ncccc1Cl)c1ccc(N(C)C)cc1	794431491	BQNTWRBYARAYMZ-LLVKDONJSA-N	303.793	3.292	10	20	DGCD	
C[C@H]1OCC[C@]1(C)NCc1ccc(N(C)C)cc1C(F)(F)F	793073603	LXMCFXPLMKUIBJ-ABAIWWIYSA-N	316.367	3.429	10	20	DGCD	
CCC(C)(C)OCCNCc1c(O)cccc1Br	706809971	WQVJPNPULSLQNE-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
COc1ccc(N2CCC3(CC2)N=C(C2CCCC2)NO3)cc1	1341044429	CQLCTFNGQAALSX-UHFFFAOYSA-N	315.417	3.115	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1ccncc1	1292179633	XMSWDJUAMQOLOF-RBUKOAKNSA-N	323.440	3.300	10	20	DGCD	
O=C(O)[C@@H](CNCc1ccc(N2CCCC2)cc1)c1ccccc1	1574817389	CHJMBZPKBKAYPC-IBGZPJMESA-N	324.424	3.245	10	20	DGCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@H](C(=O)O)c1ccccc1	1598505050	FTXGPITVTGYOCQ-HNNXBMFYSA-N	323.751	3.442	10	20	DGCD	
Cc1cc(CNCc2cc(Cl)cc(Cl)c2O)n(C)n1	283880997	JBAHBSNELLJSAK-UHFFFAOYSA-N	300.189	3.031	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2[nH]cnc2c1	41365499	RPTXUZQMDSLCTA-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
CN(C)c1ccc(CNc2nccc(C(F)(F)F)n2)cc1F	58545449	SKQWTHXINWOROT-UHFFFAOYSA-N	314.286	3.313	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCc3ccccc32)cc1F	58601742	OSSOTFKMZOKEGB-UHFFFAOYSA-N	313.376	3.164	10	20	DGCD	
C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1O	72700977	CDPNQKIBEFFKCX-HNNXBMFYSA-N	313.397	3.456	10	20	DGCD	
CCN(CC)c1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)cc1	76844932	RFRXYLIWLVPHNG-UHFFFAOYSA-N	317.393	3.095	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(CCO)c2ccccc2)c1O	85822891	ILOKTUOZHPUWLF-UHFFFAOYSA-N	319.788	3.247	10	20	DGCD	
CSC[C@@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	93760940	NIODXAVWYBMLIZ-NSHDSACASA-N	316.810	3.281	10	20	DGCD	
O=C(CC1CCCCC1)NCCNCc1c(O)cccc1Cl	113354907	XGIZYFOOALFTHX-UHFFFAOYSA-N	324.852	3.222	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(F)c(F)c1	115279666	HMLVMAWIRQTWMY-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
Cc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)n1	123499383	GINAMDQPOIJUGO-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
CCN1CC[C@H](CNCc2ccc(N3CCCCC3)cc2)C1	124163264	GZIIOLNVNWKHGR-GOSISDBHSA-N	301.478	3.108	10	20	DGCD	
COCCC1(CNCc2cc([N+](=O)[O-])ccc2O)CCCCC1	185225001	WXRNZJYGCKBIQL-UHFFFAOYSA-N	322.405	3.377	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@H](C)c1cc(C)ccc1O	186176823	FVOLDSFYPYOHDK-CYBMUJFWSA-N	301.434	3.410	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@](C)(O)c2ccc(F)cc2)c(O)c1	186190000	OEWXSSDMQOSDGD-UGSOOPFHSA-N	303.377	3.398	10	20	DGCD	
COc1ccc(N(C)CC2CCC3(CC2)OCCO3)cc1F	190276359	CJHAYGCUIRRKJL-UHFFFAOYSA-N	309.381	3.204	10	20	DGCD	
C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1O	193166126	XZFHHUCMEUASRR-LJQANCHMSA-N	311.381	3.335	10	20	DGCD	
CCCOc1ccc(CNC[C@@H](O)c2ccc(C)cc2)c(O)c1	236817830	JBESSKCRVFSINS-LJQANCHMSA-N	315.413	3.313	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCCCN2C2CC2)c1	278427068	JCIJOCOGBKZMFX-ZFWWWQNUSA-N	304.434	3.068	10	20	DGCD	
CC[C@@H](NC[C@H](O)Cc1ccccc1)c1ccc(F)cc1O	286239905	TYJUETSKFAEMJN-NVXWUHKLSA-N	303.377	3.176	10	20	DGCD	
CC[C@@H](CO)N(C)Cc1ccc(OCc2ccccc2)cc1O	295170905	UGCFUPDAWOCLHS-KRWDZBQOSA-N	315.413	3.174	10	20	DGCD	
CN(C)[C@H](CN[C@H]1CCc2cccc(O)c21)c1cccc(F)c1	295883025	HUWAXRVTNDZLGR-DLBZAZTESA-N	314.404	3.411	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)N[C@@H]2CCc3cccc(O)c32)n[nH]1	296404350	KNJHDQZPCXDLAW-GMXVVIOVSA-N	300.406	3.362	10	20	DGCD	
COc1cccc(CN2CCC(Cc3cccnc3)CC2)c1O	359960979	QPANREDHBLGTJM-UHFFFAOYSA-N	312.413	3.251	10	20	DGCD	
Cc1cccc(CNCc2ccccc2-c2cnn(C)c2)c1O	362234212	HJZSOOLBTZEZJM-UHFFFAOYSA-N	307.397	3.391	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@H]3CCOC3)C2)c1O	366659339	XGJIJNXLDZUUSW-STQMWFEESA-N	323.820	3.107	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCN2C)[C@@H]1C[C@H]2CC[C@H]1O2	386936453	GPLCEBIJTICMLM-UEILYKACSA-N	300.446	3.115	10	20	DGCD	
CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cccc(O)c1O	731497098	WSFWTSHSEBGCNI-OAHLLOKOSA-N	318.760	3.338	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)C(=O)c1ccccc1	732750831	FFIAMBJFHZBZAN-OAHLLOKOSA-N	324.424	3.278	10	20	DGCD	
CCC1(O)CCN(Cc2c(O)ccc3ccc(OC)cc23)CC1	742174536	BXSBHNOFXDHGAF-UHFFFAOYSA-N	315.413	3.291	10	20	DGCD	
Cc1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)n1	742476202	NKSMYEHXGNRBQU-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
CC1=C(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCC1	746821053	LYOJOOXVNKNYCD-OAHLLOKOSA-N	314.429	3.201	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ncccc2C)cc1F	749985297	FKAWDBDDBSZVBC-UHFFFAOYSA-N	315.392	3.305	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1	756422730	NLWKZURQECCJSI-OWCLPIDISA-N	320.477	3.419	10	20	DGCD	
C[C@H](NCc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1O	756549903	PLBPSKPYHNABCR-VIFPVBQESA-N	308.284	3.429	10	20	DGCD	
CN(CCc1nccs1)Cc1cc(Cl)cc(F)c1O	775733496	FFHCRASAVXJDGK-UHFFFAOYSA-N	300.786	3.316	10	20	DGCD	
CC(=O)NCc1ccc(NCc2c(O)ccc(Cl)c2F)cc1	790982273	SNJSOTSNBOEFMB-UHFFFAOYSA-N	322.767	3.433	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc2c(cn1)CCCC2	794746386	WUAJGTSUVSNYJK-VURMDHGXSA-N	310.353	3.024	10	20	DGCD	
CSc1ccc(CCNCc2cc([N+](=O)[O-])ccc2O)cc1	797878198	PFIPOFRNHONMOY-UHFFFAOYSA-N	318.398	3.355	10	20	DGCD	
CC1(C)CC(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C1	808174470	LSWZOOHUHYFPRE-UHFFFAOYSA-N	324.371	3.257	10	20	DGCD	
CC[C@H](N[C@H](C)C[S@@](C)=O)c1ccc(C(F)(F)F)cc1O	810234470	DKGCDIQLSVNZKL-HDKXSFDQSA-N	323.380	3.219	10	20	DGCD	
CCc1cc(CN2CCn3cncc3C2)c(O)c(C(C)(C)C)c1	811787464	KUNFETXIUCALIC-UHFFFAOYSA-N	313.445	3.464	10	20	DGCD	
Cc1nn(C)c2cc(NCc3cc([N+](=O)[O-])ccc3O)ccc12	812774608	RXTOSVVXBYBMCY-UHFFFAOYSA-N	312.329	3.108	10	20	DGCD	
C[C@@H](NC(=O)CCc1cncs1)c1ccc(N(C)C)cc1	814415576	WGDBDHSVIQIVGW-GFCCVEGCSA-N	303.431	3.019	10	20	DGCD	
Cc1ccnc(N2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)c1	815061863	KIYJWPXNRLKUQA-UHFFFAOYSA-N	324.472	3.087	10	20	DGCD	
C[C@H]1[C@H](C)CCN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817959594	HIVTZTMJCXOTLE-NEPJUHHUSA-N	315.442	3.187	10	20	DGCD	
C[C@@H](NCCNC1CCCCCC1)c1cc([N+](=O)[O-])ccc1O	817960273	LKSYOFCUVNGVBQ-CYBMUJFWSA-N	321.421	3.263	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC(C)(C)C2(O)CCCC2)c1	825239701	COONOTDXHBZFOK-ZDUSSCGKSA-N	307.434	3.383	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(Br)cc2O)c2nccn21	826084166	WMJUIHHGCBJWQV-BXKDBHETSA-N	322.206	3.147	10	20	DGCD	
Nc1ccc(CC(=O)Nc2cccc(CCN3CCCC3)c2)cc1	831496878	UOMOSUDOQPLHFC-UHFFFAOYSA-N	323.440	3.088	10	20	DGCD	
COC(=O)c1cccc2c1CCN(Cc1cccc(C)c1O)C2	835068892	JYYHGTGPATYVND-UHFFFAOYSA-N	311.381	3.046	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2C)[C@@H]1SC	838947005	BGGTYRQEZGOYFG-BBWFWOEESA-N	308.491	3.060	10	20	DGCD	
COc1cc(O)c(CN2CC(C3CCCCC3)C2)cc1OC	839136942	UWYQTELROGSUES-UHFFFAOYSA-N	305.418	3.422	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@]3(CCSC3)C2)c1O	840141464	BYSINTHHSFHQQS-KRWDZBQOSA-N	307.459	3.428	10	20	DGCD	
C[C@H]1CC(C)(C)CN1C(=O)NCCCSc1nccs1	840324627	GHOXREXJUXPJMK-NSHDSACASA-N	313.492	3.455	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC(C)(C)c2cccnc2)c1	840892065	NDSVKFUGIMJRTL-CYBMUJFWSA-N	300.402	3.424	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cnn2ccccc12	840974953	AECCZTMUJFUNGN-MRXNPFEDSA-N	322.456	3.430	10	20	DGCD	
CN1CCC(N(C)c2ccccc2CNc2ccc(N)cc2)CC1	841039965	FQFCDVIXVRFZOY-UHFFFAOYSA-N	324.472	3.411	10	20	DGCD	
CCOc1ccc(CN[C@@H](CCO)c2ccccc2F)c(O)c1	842763581	OGCYVDSTVCNGLL-KRWDZBQOSA-N	319.376	3.143	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)COCC3CC3)CC2)cc1	846072314	FRTCGMDMIMEZDW-HNNXBMFYSA-N	318.461	3.069	10	20	DGCD	
CC[C@@H]1CCCCN1CCN[C@H](C)c1cccc(OC)c1O	846144100	JMJMRFHYBMPDHY-HUUCEWRRSA-N	306.450	3.316	10	20	DGCD	
CCc1nc(CCN[C@H](C)c2cccc(OC)c2O)cs1	846145204	MFXYNOOBSAGSHB-LLVKDONJSA-N	306.431	3.313	10	20	DGCD	
Cc1cc(C(=O)N2CCCC(F)(F)C2)c(C)n1-c1ccccn1	846360943	UEYJHKUOBQNSCI-UHFFFAOYSA-N	319.355	3.360	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2CCCN3CCCC[C@H]23)c1O	848568259	CFTVSVIUGPYGNU-CWRNSKLLSA-N	304.434	3.068	10	20	DGCD	
CC[C@H](NCc1ncccn1)c1ccc(C(F)(F)F)cc1O	850552468	MQWGVIHBZSQESC-LBPRGKRZSA-N	311.307	3.442	10	20	DGCD	
CCOC(=O)c1cnc(N(C)Cc2ccc(N(C)C)cc2)s1	853094005	WDXNAXZACXHYSY-UHFFFAOYSA-N	319.430	3.022	10	20	DGCD	
C[C@@H](C[C@H]1CCOC1)NCc1c(O)cccc1Br	858149943	ANBKRIAACNMWIS-WDEREUQCSA-N	314.223	3.059	10	20	DGCD	
C[C@@H]1C[C@@H]1c1nnc(NCc2cc(F)c(N(C)C)cc2F)o1	865294852	VBPUDCGHOAVDMM-SCZZXKLOSA-N	308.332	3.149	10	20	DGCD	
CC[C@@H](N[C@H]1CCC[C@@H]1O)c1ccc(C(F)(F)F)cc1O	866489499	PNDUHFGESSQNRU-AGIUHOORSA-N	303.324	3.365	10	20	DGCD	
Cc1ccc(CN2CCN([C@@H](C)c3nccs3)CC2)c(O)c1	877380714	SAYNNURZZHRHPJ-AWEZNQCLSA-N	317.458	3.036	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCOC[C@H]1c1ccccc1	894064320	IRAFKLJUFVYTMP-INIZCTEOSA-N	305.324	3.244	10	20	DGCD	
COc1cc(C)cc(CNCCc2nc(C)c(C)s2)c1O	894352299	MHEIXAKEKDYXGF-UHFFFAOYSA-N	306.431	3.115	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ocnc1C	923796558	KCAZFVYGMOPFSN-UHFFFAOYSA-N	317.389	3.201	10	20	DGCD	
CCCN(Cc1nc(COC(C)C)no1)Cc1ccccc1O	929753745	VJYDPZBNSKTMFM-UHFFFAOYSA-N	319.405	3.112	10	20	DGCD	
CCCC(=O)N1CC[C@H]([C@@H](C)NCc2ccc(OC)c(C)c2)C1	1047680958	NZWCYMMKJXMVSN-WBVHZDCISA-N	318.461	3.130	10	20	DGCD	
COc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N)cc2)cc1	1336290880	VTTRFECJMWETFV-CYBMUJFWSA-N	313.401	3.180	10	20	DGCD	
C[C@H](CC(=O)OC(C)(C)C)NCc1cc(Cl)cc(F)c1O	1337262577	LUGXKINFXLSXFM-SECBINFHSA-N	317.788	3.395	10	20	DGCD	
O=C1N=C(NC2CCCC2)S/C1=C\c1ccc2c(c1)CCO2	54802345	FOXUKZZLTFCSID-GDNBJRDFSA-N	314.410	3.124	10	20	DGCD	
CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccccc2O)n1	72517868	RBXMYLYVELLWSN-CYBMUJFWSA-N	319.405	3.141	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1F	73915816	UFXRULGUWBASAK-GOEBONIOSA-N	319.424	3.366	10	20	DGCD	
CCNC(=O)c1ccc(CNCc2c(O)cccc2Cl)cc1	113322119	GIGYQWJZFHJDHC-UHFFFAOYSA-N	318.804	3.085	10	20	DGCD	
CN(C)c1ccc(CNC(=O)COC/C=C/c2ccccc2)cc1	124024520	FKWCTUCRKYPBLR-RMKNXTFCSA-N	324.424	3.099	10	20	DGCD	
CCN(Cc1cc(Br)cc(OC)c1O)CC1CC1	125630559	FPGSQUFDLGNDBZ-UHFFFAOYSA-N	314.223	3.395	10	20	DGCD	
CC[C@H](C(=O)NCc1cc(OC)ccc1O)c1ccc(F)cc1	127524226	OBAMWRYTXYQUOY-INIZCTEOSA-N	317.360	3.350	10	20	DGCD	
COc1ccc(N2CCCN(Cc3ccc(C)nc3)CC2)cc1	153787239	HFHCFRAATNXRBU-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
COC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	159208601	DWLTWCRUCVCKLL-UHFFFAOYSA-N	318.200	3.084	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccncc1	174007933	SEXPYJUXNPIKLN-HOTGVXAUSA-N	311.429	3.330	10	20	DGCD	
CC(C)N(CC(=O)Nc1ccc(F)cc1)Cc1ccccc1O	179553346	FPMNNRRXYANDBB-UHFFFAOYSA-N	316.376	3.380	10	20	DGCD	
C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	182509933	GGURDXXTBICTNC-AWEZNQCLSA-N	313.397	3.373	10	20	DGCD	
COC(C)(C)CNCc1ccc(OCc2ccccc2)cc1O	183158480	STAGKVJONMMMDU-UHFFFAOYSA-N	315.413	3.486	10	20	DGCD	
C[C@@H](NC1CCN(CC(F)(F)F)CC1)c1ccccc1O	183478619	MLRUXJQMZZGDGF-LLVKDONJSA-N	302.340	3.070	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc([S@](C)=O)cc2)c(O)c1	186095030	QYQJSNFNMIVIEY-ZSEKCTLFSA-N	303.427	3.289	10	20	DGCD	
COc1ccc(F)cc1[C@@H](C)NCc1cc2c(cc1O)OCO2	237179320	IBGIAOMUSGMDFG-SNVBAGLBSA-N	319.332	3.119	10	20	DGCD	
COc1ccc(O)c(CNC[C@]2(N(C)C)CCC[C@H](C)C2)c1	237204757	SIHNIWUFIYAEQH-KSSFIOAISA-N	306.450	3.001	10	20	DGCD	
Cc1cccc(CNc2ccccc2CN2CCOCC2)c1O	271769503	CKQXOYWMGMJYAV-UHFFFAOYSA-N	312.413	3.145	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCOCC(F)(F)C(F)F)c1	278590835	YWYLHMXJQXFCMM-SNVBAGLBSA-N	309.303	3.268	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](CO)C2CCCCC2)c1	293661198	IQEKYGJSYZZLIF-DZGCQCFKSA-N	307.434	3.240	10	20	DGCD	
COc1ccc(O)c(CNCc2ccnc(C(F)(F)F)c2)c1	295104795	UCJFCLDXAQBMKH-UHFFFAOYSA-N	312.291	3.104	10	20	DGCD	
Oc1cccc2c1[C@H](NC1CCC(O)(c3cccnc3)CC1)CC2	296588555	WSBPJEUXXXPUHG-OHTSDLOESA-N	324.424	3.195	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2Cc3ccccc3C2)c([N+](=O)[O-])c1	320246185	BOZBECQFXSPILI-VURMDHGXSA-N	310.309	3.213	10	20	DGCD	
C[C@@H]1C[C@H](C(=O)O)CN(Cc2cc(Cl)cc(Cl)c2O)C1	399051362	GOZOMAGYACPMGD-SCZZXKLOSA-N	318.200	3.242	10	20	DGCD	
C[C@H]1CN(Cc2c(O)cccc2Br)CC(C)(C)O1	707150895	VVRJRHCEIVMCBQ-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
CCN(Cc1c(O)cccc1Br)C[C@H](C)OC	707171882	NTKNNTAVLOVIKI-JTQLQIEISA-N	302.212	3.012	10	20	DGCD	
CCOc1ccc(CNC(CC)(CC)CC(=O)OC)c(O)c1	749288192	YGKPKSXTLXJDCH-UHFFFAOYSA-N	309.406	3.002	10	20	DGCD	
CN(C(=O)COc1ccc(N2CCCC2)cc1)C1CCCCC1	749796474	UFGJDFJLOCGZNB-UHFFFAOYSA-N	316.445	3.457	10	20	DGCD	
COCCN(Cc1cc(F)cc(C(C)=O)c1O)C1CCCC1	750816920	CQTOAKRESWMCHZ-UHFFFAOYSA-N	309.381	3.125	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](C)[C@@H]2CCCOC2)c1O	754566975	NCWLZBDHPMJWMW-CMPLNLGQSA-N	311.809	3.153	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(C)ccc1O	756711484	LIRBZSWNJWOPHT-CZUORRHYSA-N	301.386	3.093	10	20	DGCD	
CN(C)c1ccc(CN2CCC(N3CCCCC3)CC2)cc1F	768239155	GLABQJLIHJLFNQ-UHFFFAOYSA-N	319.468	3.342	10	20	DGCD	
CN(C)c1ccc(CN2CCc3ccc(O)cc3C2)cc1F	768869842	ZSFUKRJEPXQCPC-UHFFFAOYSA-N	300.377	3.156	10	20	DGCD	
C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C(F)(F)F)O1	769495444	FTMWOYNESIEADB-PRHODGIISA-N	309.715	3.197	10	20	DGCD	
CN(Cc1ccccc1O)C1CCN(C(=O)c2ccccc2)CC1	770511054	XMKOZUGUWNQNST-UHFFFAOYSA-N	324.424	3.129	10	20	DGCD	
OCCN(Cc1ccccc1)Cc1cc(Cl)cc(F)c1O	775638467	ITWSUVOLMZOMHP-UHFFFAOYSA-N	309.768	3.179	10	20	DGCD	
CC[C@H](NCc1ccc(N(C)C)cc1C)C1(C(=O)OC)CCC1	779348019	ORESHSGZLCQXGF-KRWDZBQOSA-N	318.461	3.273	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)c2ccccc2C)c(O)c1	792761319	LAPYUWHRLRIZRP-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
CCC[C@H](NCc1cccc(OC)c1O)[C@H](O)c1ccccc1	793241287	ODEJTUIHBWTTLQ-FUHWJXTLSA-N	315.413	3.393	10	20	DGCD	
C[C@H](NCCSCCCO)c1cccc(C(F)(F)F)c1O	815577807	ZTESTELSZGZQPC-JTQLQIEISA-N	323.380	3.177	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCOC[C@H](C2CCC2)C1	816616886	IQMUPPGCPWAPBY-CYBMUJFWSA-N	313.800	3.433	10	20	DGCD	
CCc1ccc([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)o1	817942361	OLBGSHGSGHARGM-SUMWQHHRSA-N	301.434	3.259	10	20	DGCD	
C[C@@H](NCC1(C)CCNCC1)c1cc2c(cc1O)CCCC2	817965393	TULLQYZTONAHLP-CQSZACIVSA-N	302.462	3.311	10	20	DGCD	
COc1ccc(N(Cc2ccccc2)C[C@H]2CCC(=O)O2)cc1	821391559	OGHHPSRTHLIWGO-GOSISDBHSA-N	311.381	3.407	10	20	DGCD	
COCc1csc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1	824669597	NXMMKGQPVVBALP-UHFFFAOYSA-N	322.405	3.030	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cc(Br)ccc2O)c2nccn21	825017449	RSQARMQUBYRPTN-JOYOIKCWSA-N	322.206	3.147	10	20	DGCD	
CCOc1cccc(CN(CCO)Cc2cc(C)ccc2O)c1	825299047	AEJUMKXODSULLW-UHFFFAOYSA-N	315.413	3.094	10	20	DGCD	
C[C@H](COCC1CC1)NCc1ccc(Br)cc1O	826139833	PSTXCZHDWBYTIJ-SNVBAGLBSA-N	314.223	3.059	10	20	DGCD	
CC[C@@H](NCCc1cnc(C)cn1)c1cc(Cl)ccc1O	834908032	GMVSVKASIPYXPF-OAHLLOKOSA-N	305.809	3.427	10	20	DGCD	
COc1cc(F)cc(C[C@@H](C)NCc2c(O)cccc2OC)c1	835054618	LSYHGZLIUFYWGZ-GFCCVEGCSA-N	319.376	3.269	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1O	841763021	TUQFCZOXWIRHNU-ZWNOBZJWSA-N	318.795	3.426	10	20	DGCD	
Nc1ccc(Cc2noc(CSCC(F)(F)F)n2)cc1	843158972	JQENCPNRRZBWTM-UHFFFAOYSA-N	303.309	3.038	10	20	DGCD	
COc1cccc([C@H](C)NCc2nn(C)c3ccccc23)c1O	846162436	HHWFOBGLFPOWFW-LBPRGKRZSA-N	311.385	3.138	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)c2nc(C)no2)c1O	847059933	VRPPAHYDXNZGQB-QMMMGPOBSA-N	323.780	3.133	10	20	DGCD	
C[C@H](CNCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)O	848639704	JSLWLEKRTAZMIZ-OAHLLOKOSA-N	324.424	3.060	10	20	DGCD	
CCc1cccc(CN(CC(=O)OC)Cc2ccccc2)c1O	848882555	SXLBEQALSFIDFG-UHFFFAOYSA-N	313.397	3.130	10	20	DGCD	
COC1CCN(c2ccc(CN3CC[C@@H]4C[C@@H]4C3)cc2)CC1	852634129	KQBNJTHCRKNLIO-IAGOWNOFSA-N	300.446	3.144	10	20	DGCD	
CCC[C@H](O)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C	863166166	VCCDHGXPFOQWTI-SFHVURJKSA-N	314.429	3.261	10	20	DGCD	
CN(Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(N)cc1	863557784	UVSHUOYVDOMBIB-UHFFFAOYSA-N	304.777	3.330	10	20	DGCD	
CCOCc1cc(CNCC[C@@H](O)C2CCCC2)ccc1OC	865874769	IHVHAYRPCYCAAX-GOSISDBHSA-N	321.461	3.263	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1O	868460962	IBVBZADYOCRQAH-IOASZLSFSA-N	320.433	3.346	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3CS[C@@H](C)C3)C2)cc1	877597889	BQVSDEXWIOWEJO-ZNMIVQPWSA-N	306.475	3.005	10	20	DGCD	
CC[C@@](NCc1cccc(C)c1O)(C(=O)OC)c1ccccc1	877676505	WZIAJMXGKTWIPR-IBGZPJMESA-N	313.397	3.269	10	20	DGCD	
COc1cccc([C@H](CNCc2cc(F)cc(F)c2O)OC)c1	883184655	BNLOWNGTAGFKBS-INIZCTEOSA-N	323.339	3.156	10	20	DGCD	
C[C@H](NC[C@@H](CO)c1ccc(F)cc1)c1c(O)cccc1F	886626489	CXFKMKUVARQCMG-AAEUAGOBSA-N	307.340	3.097	10	20	DGCD	
CN(C)c1ccc([C@H](CNC(=O)CC2CCCC2)N(C)C)cc1	891257094	CIEDJBKQYRQECR-SFHVURJKSA-N	317.477	3.052	10	20	DGCD	
O=C(O)C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1F	904044773	DCWRCOAUTAYPPJ-INIZCTEOSA-N	315.344	3.066	10	20	DGCD	
COc1ccc(CN[C@H](CC(=O)O)c2ccccc2F)cc1C	904045816	PCTKZMYAXURFBR-MRXNPFEDSA-N	317.360	3.448	10	20	DGCD	
Cc1nonc1[C@H](C)NCc1ccc(N2CCC(C)CC2)cc1	925008223	XKTWJFHZUSDKQZ-AWEZNQCLSA-N	314.433	3.465	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@H](C)NC(=O)CC(C)C)cc1C	1133591354	VQVISDJWQAWAKI-HOTGVXAUSA-N	320.477	3.423	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21	1324965652	RPVHMUMMIWKTLX-RRFJBIMHSA-N	318.461	3.391	10	20	DGCD	
Cc1ccc(C2=NO[C@H](CNCc3cc(C)ccc3O)C2)cc1	1331567873	ZGBWBYSHZFZMSN-KRWDZBQOSA-N	310.397	3.292	10	20	DGCD	
CC(C)(CNC(=O)NCc1ccc(N)cc1)c1cccc(F)c1	1336031963	BWOOGOHFMGHSGZ-UHFFFAOYSA-N	315.392	3.185	10	20	DGCD	
CC(C)(C)c1ccc(C(=O)NCc2cccc(O)c2O)s1	1520509715	UQKZILOWJRKIBP-UHFFFAOYSA-N	305.399	3.387	10	20	DGCD	
C[C@@H](NCc1ncc(Cl)s1)c1cc(C(=O)O)ccc1O	1593317628	RNDHZWJMAOINGU-SSDOTTSWSA-N	312.778	3.051	10	20	DGCD	
Cc1cc(CN[C@H](C(=O)O)C2CCCCC2)ccc1N(C)C	1600206409	VVWIWYGLBGFMLP-KRWDZBQOSA-N	304.434	3.184	10	20	DGCD	
O=C(O)CCCN(Cc1ccccc1)Cc1cc(F)ccc1O	1601990281	YKZKVBVOXQOXKV-UHFFFAOYSA-N	317.360	3.398	10	20	DGCD	
O=C(O)c1ccc(NCc2ccc(N3CCCCC3)cc2)cn1	1608903899	ZPHSWNHBSHKEDU-UHFFFAOYSA-N	311.385	3.382	10	20	DGCD	
CCCOc1ccc(CN[C@H](CC(C)(F)F)C(=O)O)cc1C	1776820253	JBGUKRLURYWGNQ-CYBMUJFWSA-N	315.360	3.372	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)c(C)c1	1776856612	OGYAJUZFVIVKJH-UOVPBQLFSA-N	316.445	3.040	10	20	DGCD	
CCCOc1ccc(CNC[C@H](C)Cn2ccnc2C)c(O)c1	105442772	SKMGNUOMQXZUPW-AWEZNQCLSA-N	317.433	3.112	10	20	DGCD	
CCOC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)nc1	58545457	YUGPMVGFIKNBPJ-UHFFFAOYSA-N	317.364	3.076	10	20	DGCD	
CCCN(CCC)C(=O)NCc1ccc2c(c1)CCCN2C	57660730	FGMSCWFUPOCQCA-UHFFFAOYSA-N	303.450	3.401	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(OC)ccc1O	170732088	QNUPYZXDRODCIS-UHFFFAOYSA-N	315.369	3.159	10	20	DGCD	
CC(C)(C)c1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1	113832386	KBGIIHRRACFLRA-GHRIWEEISA-N	320.392	3.446	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccoc1	175850151	YBHVRIJPSWQDEW-UHFFFAOYSA-N	324.174	3.410	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2csnc2C)cc1F	179688606	OHHSHWOBHVGWJT-UHFFFAOYSA-N	321.421	3.367	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2COC3(CCCCC3)O2)c1	186230387	AHDNILWWKXMFCB-CABCVRRESA-N	305.418	3.427	10	20	DGCD	
CC1(C)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CCS1	317540782	JHOBXDQXZZTFGN-XQRVVYSFSA-N	322.386	3.024	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC1CCC(C(=O)O)CC1	316409343	YXXSJHTVZWECIR-RYSNWHEDSA-N	303.402	3.482	10	20	DGCD	
C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	246985416	RVFYVBUIMCTLQI-XUJVJEKNSA-N	324.371	3.029	10	20	DGCD	
CCS[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1	267356730	RYJZPGCJKVTTPZ-KGLIPLIRSA-N	308.447	3.256	10	20	DGCD	
Cc1cc(CNC(=O)NCc2c(C)c3ccccc3n2C)ccn1	454877441	QSJARWUJAAXAGQ-UHFFFAOYSA-N	322.412	3.190	10	20	DGCD	
Oc1c(Cl)cccc1CNCCOCC(F)(F)C(F)F	278306644	DVNXUEOJLRXADY-UHFFFAOYSA-N	315.694	3.052	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)c1	800519787	VNNNTAZDOCPPBC-WDEREUQCSA-N	313.344	3.404	10	20	DGCD	
CC[C@]1(C)CC(=O)N(CN2CCCc3cc(OC)ccc32)C1	808169842	FVJUJXBAUHJFDX-GOSISDBHSA-N	302.418	3.054	10	20	DGCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4c(O)ccc(Cl)c4F)[C@@H]1[C@H]3C2	809696979	BDTDPWLFGRLDII-SEFSZJDBSA-N	311.784	3.040	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ccc(C)cc1	808095677	NUHDLZDWLSOEJG-UHFFFAOYSA-N	304.386	3.045	10	20	DGCD	
COC(=O)c1cnc(SCC[C@H](O)c2ccccc2)s1	295275303	JZLKTOCOJKCRBN-NSHDSACASA-N	309.412	3.146	10	20	DGCD	
Cc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1	800502363	AQKNIYYCGVNEIH-LSDHHAIUSA-N	315.417	3.231	10	20	DGCD	
CCc1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1F	806553164	IUMBWAWEACVEIW-UHFFFAOYSA-N	318.348	3.164	10	20	DGCD	
CCC[C@H](C)CC(=O)N(CC(=O)OCC)Cc1ccccc1O	819696109	LPPVVJRUEAJKJE-AWEZNQCLSA-N	321.417	3.110	10	20	DGCD	
Oc1c(CNCCOc2ncccc2F)ccc2ccccc12	816558703	JFDWJQJGJOIHIN-UHFFFAOYSA-N	312.344	3.248	10	20	DGCD	
Oc1cc(Br)ccc1CN1CCC[C@H]1c1ncc[nH]1	825513249	FIYOBLLDUKRMQK-LBPRGKRZSA-N	322.206	3.215	10	20	DGCD	
Cc1nccn1CCNCc1cc(-c2ccccc2)ccc1O	725849943	AKMPFMYXBNTMFR-UHFFFAOYSA-N	307.397	3.354	10	20	DGCD	
CC(C)(C[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(N)=O	824608593	JZBCOCXHSREGGW-LBPRGKRZSA-N	324.852	3.159	10	20	DGCD	
CC[C@@]1(C(=O)O)CCCN(Cc2cc(Cl)cc(F)c2O)C1	904400679	KJGWCYGWFZYZTD-OAHLLOKOSA-N	315.772	3.262	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	906994460	SEBGKIUPOGRDCO-UNEWFSDZSA-N	323.820	3.060	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCC[C@H]1CCOC1	838714826	NYVVGLGUPOMHFC-HNNXBMFYSA-N	320.433	3.131	10	20	DGCD	
COC(=O)Nc1ccccc1OCc1cc(C(=O)O)oc1C	831215044	HSGMVHVFRWXGMK-UHFFFAOYSA-N	305.286	3.044	10	20	DGCD	
O=C(Nc1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH]n1)c1cc(O)cs1	743457218	QFIMRLUNECGLCC-QXEWZRGKSA-N	303.387	3.333	10	20	DGCD	
Nc1ccc(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1	841301526	SICWRTKUUHSOIL-INIZCTEOSA-N	315.373	3.075	10	20	DGCD	
CCc1cc(CN(CCOC)CCOC)c(O)c(C(C)(C)C)c1	747449192	KPLKTRKCVBFEJG-UHFFFAOYSA-N	323.477	3.347	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CS[C@H](C)C2)cc1	840262034	BVJGCRXEULHJAR-HIFRSBDPSA-N	321.490	3.226	10	20	DGCD	
COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(F)c1	844275139	RJULRSWBQGNOKI-ZROIWOOFSA-N	320.389	3.291	10	20	DGCD	
C[C@@H](NCC1CC=CC1)c1ccc(N2CCOCC2)c(F)c1	858462225	SWOWZWJXQIZTPX-CQSZACIVSA-N	304.409	3.279	10	20	DGCD	
CCn1ncc(Cl)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	857181118	ILSIHBCAGFVAFY-LLVKDONJSA-N	320.824	3.113	10	20	DGCD	
Cc1cc(Br)cc(CN[C@]2(C)CCO[C@H]2C)c1O	753577379	USAOUTTUXMMXGA-IINYFYTJSA-N	314.223	3.120	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CC(=O)O)C(C)C)cc1F	756363169	UWTXTILYGBSCND-OAHLLOKOSA-N	310.413	3.261	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](O)c2c(F)cccc2F)c(O)c1	756741982	ZJMHBJHTSLYUFN-BZNIZROVSA-N	307.340	3.363	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1Cc2ccccc2C1	762585102	UFEIXADISZZTKK-UHFFFAOYSA-N	323.440	3.028	10	20	DGCD	
CCCn1cc(CNCc2cc(C)n(-c3ccccc3)c2C)nn1	865642162	CEZJTRMYUUDXKN-UHFFFAOYSA-N	323.444	3.385	10	20	DGCD	
COc1cc(O)c(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1OC	862445027	ZZHDRXHDFFYINL-QWRGUYRKSA-N	315.360	3.133	10	20	DGCD	
Cc1c(C(=O)NCc2ccc(O)c(O)c2)oc2c(F)cccc12	778926005	SEYQYLZMUMBMGG-UHFFFAOYSA-N	315.300	3.222	10	20	DGCD	
COC1(C)CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	773611961	BJPAWGUDLAJMKL-CQSZACIVSA-N	319.449	3.024	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCCCCCCO)sc2n1	776367579	HLBUQNVTEGZNIU-UHFFFAOYSA-N	322.430	3.205	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCCN2C(=O)C=C(C)C)cc1C	1044909258	YTSMJZRKTNOUDH-KRWDZBQOSA-N	316.445	3.050	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1	773785986	GALKNSRUQURVOZ-OAHLLOKOSA-N	309.413	3.102	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1cccs1)C1CC1	779492073	BJYREFZSGNLDEN-RLXIPRIJSA-N	315.394	3.440	10	20	DGCD	
CCn1nc(CN(C)c2ccc3c(c2)OCO3)c2ccccc21	770666545	XPUWBBLJHMHBRN-UHFFFAOYSA-N	309.369	3.421	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1Cn1cc(COc2ccc(N)cc2)nn1	881324886	KZWVOUITNGMTTC-ZIAGYGMSSA-N	300.406	3.266	10	20	DGCD	
COc1ccc(CNCCNC(=O)CC2CCCCC2)cc1C	1123150899	GYEGEXYKINPNAI-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
C[C@H](CCCO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796325026	UMNNWMWXTOJAMU-QGZVFWFLSA-N	324.468	3.500	10	20	DGCD	
C[C@@H]1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	792956778	MJYHESWQYOXRBS-WBVHZDCISA-N	313.445	3.298	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1ccc2nc(O)oc2c1	796739061	PCWXKRXDMHJVKI-NSHDSACASA-N	310.353	3.319	10	20	DGCD	
C[C@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O	397733866	FETQJMRVDSNFFO-NSHDSACASA-N	324.396	3.049	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)c(C)c1	1329515996	IECZNXPDHSQYRQ-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H]1Cc2ccccc2NC1=O	1329755016	PGSHFRLEBQCVIZ-WQVCFCJDSA-N	322.408	3.402	10	20	DGCD	
Cc1ccc(C(=O)NCc2cccc(Cl)c2F)c(O)c1O	1320065408	KFCWDFHDXTZRCL-UHFFFAOYSA-N	309.724	3.129	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1CCOC2(CCC2)C1	1337738027	RZWZFRCAKKYITH-VIFPVBQESA-N	321.764	3.164	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N(C)c1cccc2c1CCCN2	1347050496	PDVDSAFQTJGUJH-HJWRWDBZSA-N	307.397	3.424	10	20	DGCD	
CCN(CC)CCN(CCC(F)(F)F)Cc1ccc(N)cc1	1356082853	FTKBVWUTTSLRKJ-UHFFFAOYSA-N	317.399	3.365	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(/C=C/C(=O)O)o2)cc1OC	1599584585	YTDVWWDUAVZQAT-VQHVLOKHSA-N	317.341	3.031	10	20	DGCD	
CCOC(=O)C1CCN(Cc2ccc(N(CC)CC)cc2)CC1	158111106	DIEZHJUXPYTXPC-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CC[C@@H](SC)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	153461407	RSSSCSWJIIRZNZ-GOEBONIOSA-N	323.458	3.041	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc2c(c1)CCO2	54802430	MMEMYPQPDJJQNU-RVDMUPIBSA-N	314.410	3.078	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)c1ccccc1	60678848	MSYJCVYHJTWQSA-UHFFFAOYSA-N	324.424	3.374	10	20	DGCD	
COc1cccc(CN(C)CCCOc2ccccc2)c1O	91899455	VXNAAKYBCVGSSE-UHFFFAOYSA-N	301.386	3.302	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1ccc(F)cc1Cl	107218631	KREXBPAOQDSEKB-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
COc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1Cl	123859411	YEZOSGBBLGPYLG-UHFFFAOYSA-N	318.804	3.345	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H](C)C3)CC2)cc1	129587020	PLPZOURDMXRLLM-HZPDHXFCSA-N	316.445	3.170	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccccn1)c1ccc(N2CCOCC2)cc1	152308625	WIOMOSBVIUSWJW-HZPDHXFCSA-N	311.429	3.330	10	20	DGCD	
Nc1ccc(CCNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1	152506314	ZYGSZWLVKUBCQI-UHFFFAOYSA-N	314.816	3.313	10	20	DGCD	
COCCOCCN[C@@H](C)c1ccc(N2CCCCCC2)cc1	154011532	WSDCERBCWFBMGI-KRWDZBQOSA-N	320.477	3.381	10	20	DGCD	
COC(=O)c1cc(CN(C)Cc2cccc(C)c2O)oc1C	179633855	YQQPDIMMNWJDLY-UHFFFAOYSA-N	303.358	3.021	10	20	DGCD	
CCn1cc(C(=O)NCc2ccc(O)c(O)c2)c2ccccc21	182549200	KBRHRTVDMKHZAX-UHFFFAOYSA-N	310.353	3.002	10	20	DGCD	
C[C@@H](NCC[S@@](=O)C(C)(C)C)c1cc2c(cc1O)CCCC2	185475486	HJKDITBZTMCCCR-MCMMXHMISA-N	323.502	3.469	10	20	DGCD	
Cc1cc(C(=O)NCC(=O)O)c(C)n1-c1ccc(C(C)C)cc1	236787713	PKXWSFVAJPKXCZ-UHFFFAOYSA-N	314.385	3.032	10	20	DGCD	
C[C@H](NCCOCC1CC1)c1ccc(Br)cc1O	273577992	MCNDQUUYBRSJGJ-JTQLQIEISA-N	314.223	3.232	10	20	DGCD	
CC[C@H](N[C@@H](C)c1ccc(F)c(F)c1O)[C@@H](O)C(F)(F)F	276912646	LANINZNLCJTYNB-ZKQGETEISA-N	313.266	3.023	10	20	DGCD	
Cc1ccnc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c1	286073539	LXUZFRINMGHQMC-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C)[C@H](O)c2ccccc2)c(O)c1	288557538	MAMYWGZFIRJZCJ-LIRRHRJNSA-N	315.413	3.393	10	20	DGCD	
CN(C(=O)c1cccc(O)c1O)[C@H]1CC[C@@H](C(F)(F)F)CC1	290700049	SPVBZZBZAZLNJO-AOOOYVTPSA-N	317.307	3.291	10	20	DGCD	
Cc1nsc(C)c1C(=O)NCc1c(O)ccc2c1CCCC2	293568781	BJCRDANFMYGLRR-UHFFFAOYSA-N	316.426	3.274	10	20	DGCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1cccnc1	293896889	QXLMFXMHIZELGZ-IWHGQQBYSA-N	324.380	3.116	10	20	DGCD	
Cn1ccnc1[C@H]1N(Cc2cccc(Cl)c2O)CC1(C)C	294826696	PLTRKOQRHCSZBM-CQSZACIVSA-N	305.809	3.362	10	20	DGCD	
C[C@@H](O)CN(C)Cc1ccc(N(C)Cc2cccs2)cc1	295940449	GGNXFMNIPOCHKT-CQSZACIVSA-N	304.459	3.197	10	20	DGCD	
C[C@@H](NCCC(C)(F)F)c1ccc(N2CCOCC2)c(F)c1	296639316	BYYLNYVYLYZGND-GFCCVEGCSA-N	316.367	3.358	10	20	DGCD	
Oc1cccc2c1[C@@H](NCC1([C@@H](O)c3ccccc3)CC1)CC2	297047273	VLCRVGJOFBQBAZ-LPHOPBHVSA-N	309.409	3.483	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)c2ccc(C#N)cc2)cc1Cl	305052736	AUPBXLUFTGSYJA-MRXNPFEDSA-N	316.788	3.390	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@@H]2c2cc(C)on2)cc1OC	372391629	FAHPWEZRTCULIY-CQSZACIVSA-N	318.373	3.043	10	20	DGCD	
CNC(=O)c1cccc(NCc2ccc(N3CCCC3)cc2)c1	378901515	CKQPSITVUQCHNV-UHFFFAOYSA-N	309.413	3.259	10	20	DGCD	
C[C@H](N[C@H]1CCSC1)c1ccc(Br)cc1O	381433313	BZEUXDDGOLEIIV-WPRPVWTQSA-N	302.237	3.311	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCC2CN(C(=O)OC(C)(C)C)C2)c1	397887501	QPMDOBSRCXFQOA-ZDUSSCGKSA-N	320.433	3.218	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2scnc2c1	588406211	NIPRWMLUROEYOP-KXFIGUGUSA-N	312.350	3.359	10	20	DGCD	
Cc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1C	608250398	QIGMFLQBJUUROF-UHFFFAOYSA-N	324.424	3.338	10	20	DGCD	
CCOC(=O)CCCN1CCCc2cc(OC(F)F)ccc21	726597375	KCJVUINRGVOWMJ-UHFFFAOYSA-N	313.344	3.384	10	20	DGCD	
O=C(O)[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1	739498681	COGXTZCMMVEOPB-INIZCTEOSA-N	317.772	3.190	10	20	DGCD	
CC(C)C(C)(C)NC(=O)NCCCSc1nccs1	759591797	RQECXYHXDCTBRF-UHFFFAOYSA-N	301.481	3.359	10	20	DGCD	
CCN(Cc1ccccc1C)Cc1cc2c(cc1O)OC[C@@H]2O	768440458	WHXVPGKPBDAFOK-SFHVURJKSA-N	313.397	3.149	10	20	DGCD	
C[C@H](NC(=O)Cc1ccccc1F)c1ccc(N(C)C)cc1	773019347	KVNAYOUPGZGWFC-ZDUSSCGKSA-N	300.377	3.312	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)C1(c2cccnc2)CC1	773791923	PXELKLIFVKGCLB-UHFFFAOYSA-N	321.424	3.030	10	20	DGCD	
Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnc1C	775621997	ZSASAQUSJBKQLT-CYBMUJFWSA-N	313.405	3.042	10	20	DGCD	
C[C@@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCc2ccccc21	779509721	HKSFKUSFBHLNHZ-WAEYIKQSSA-N	323.392	3.479	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]1c1cccc(F)c1	779526685	XFUSJHFMMNFRNN-ZKKXHLJNSA-N	313.328	3.224	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccnc2C2CC2)cc1F	783943584	YDMZJPBSWBNWID-UHFFFAOYSA-N	313.376	3.094	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1O	788593222	GXPKGCVVBJZZEY-MNOVXSKESA-N	314.351	3.298	10	20	DGCD	
COCC1(NCc2ccc(N(C)C)cc2C(F)(F)F)CCC1	793619107	FBIMYRVSTDWEBN-UHFFFAOYSA-N	316.367	3.430	10	20	DGCD	
Oc1ccc2oc3c(c2c1CN1CC(OC(F)F)C1)CCCC3	797820839	QAQONVROSHZNIN-UHFFFAOYSA-N	323.339	3.441	10	20	DGCD	
Cc1cc(NCc2c(O)ccc(Cl)c2F)ccc1C(N)=O	798085680	UEUUMHDJKVNUFF-UHFFFAOYSA-N	308.740	3.204	10	20	DGCD	
CCn1cnnc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	803527558	TYONIPWTKVIMCD-UHFFFAOYSA-N	323.400	3.266	10	20	DGCD	
Nc1ccc(NCCCSc2nccs2)c([N+](=O)[O-])c1	804452746	MNMLRGVMIRHBCG-UHFFFAOYSA-N	310.404	3.228	10	20	DGCD	
CN(C)c1ccc(CN2Cc3cnn(-c4ccccc4)c3C2)cc1	815307887	BXIHDBCTSIDWIG-UHFFFAOYSA-N	318.424	3.454	10	20	DGCD	
CC[C@H](N[C@@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1O	817959689	GIJGAACJWZEXRK-STQMWFEESA-N	302.340	3.189	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@@H]2CNC[C@@H]2C1)c1cc2c(cc1O)CCCC2	817987533	UCMQDCTWTFDFDN-HNONPPJISA-N	314.473	3.310	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3cc(C)nc(C)n3)C2)cc1	819934947	IYLRYUOPFMKEDP-HNNXBMFYSA-N	312.417	3.040	10	20	DGCD	
Oc1cc2c(cc1CNCC[C@@H]1CCc3ccccc31)OCO2	824549083	YDNBFGOWBVLWOA-AWEZNQCLSA-N	311.381	3.331	10	20	DGCD	
CC[C@H](N[C@H]1CCO[C@@H](c2ccnn2C)C1)c1ccccc1O	825045746	KPLOMUULWROGLE-DHSIGJKJSA-N	315.417	3.087	10	20	DGCD	
C/C(=C/CN(C)Cc1ccc(N2CCCCC2)cc1)C(=O)O	825730516	YFDKJLSQPPHYOW-GDNBJRDFSA-N	302.418	3.140	10	20	DGCD	
CN(Cc1ccc2c(c1)CCN2Cc1ccccc1)C1(CO)CC1	827903673	NPOYBAGANJHIIA-UHFFFAOYSA-N	322.452	3.206	10	20	DGCD	
Cc1csc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c1	836581562	NVQXWZXNCYMGIH-UHFFFAOYSA-N	321.421	3.261	10	20	DGCD	
CC(C)CCCNCc1cc(F)c(N2CCOCC2)c(F)c1	839146173	YKRXLNAINCLSCJ-UHFFFAOYSA-N	312.404	3.327	10	20	DGCD	
OCC[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccccc1F	842925207	WVBMTDICQTXUNZ-JKSUJKDBSA-N	301.361	3.232	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@@H]2CO[C@@H](C)C2)c1O	842930718	ZOBZFXQAQMPVIH-NHCYSSNCSA-N	314.223	3.291	10	20	DGCD	
CCc1cccc(CNc2cccc3c2CCN3C(C)=O)c1O	848903162	NXVNYKFCIPHHDM-UHFFFAOYSA-N	310.397	3.476	10	20	DGCD	
COc1cc(CN[C@@H](C)Cn2cccn2)c(O)c(C(C)(C)C)c1	850028412	PCUFRQJEUYLVOP-ZDUSSCGKSA-N	317.433	3.073	10	20	DGCD	
COc1cc(C)cc(CNC(=O)NCc2cc(C)ccc2O)c1	858314041	VYWUUZZTPGKWFW-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
CC[C@@]1(C)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876782624	RABPJNMYGZGPPK-IBGZPJMESA-N	302.462	3.270	10	20	DGCD	
CC(C)c1ncc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)[nH]1	882798736	BFXFVOWRULWKSL-UHFFFAOYSA-N	323.418	3.163	10	20	DGCD	
Cc1ncc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)s1	882799243	VKPTYQGUAAMFOJ-UHFFFAOYSA-N	312.416	3.081	10	20	DGCD	
CN(C)C[C@H](NCc1cc(F)cc(F)c1O)c1ccc(F)cc1	883120089	SNLIIXSPMLFUMZ-INIZCTEOSA-N	324.346	3.202	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCc3c(OC)cccc32)c1O	894343453	XXWDEPYSVFMMCW-MRXNPFEDSA-N	313.397	3.495	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](c2ccccc2)N(C)C)c1O	894382607	WTBTYKZNVJRPCK-QGZVFWFLSA-N	314.429	3.102	10	20	DGCD	
COc1cc(C)cc(CNCc2cc(Cl)ccc2O)c1O	895139657	HZRIHGOEFCNWGX-UHFFFAOYSA-N	307.777	3.358	10	20	DGCD	
CCN(C)C(=O)CN(Cc1ccccc1)c1ccc(OC)cc1	915217041	VWGHLPLTUQDKRG-UHFFFAOYSA-N	312.413	3.180	10	20	DGCD	
Oc1nc2c(cc1CNCc1ccc3c(c1)CCCO3)CCCC2	922320907	SRUBXNQQCNGOQA-UHFFFAOYSA-N	324.424	3.281	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@@H](C)C2CCC2)cc1C	1160786051	KQKZFTHOEFRFOH-HNNXBMFYSA-N	318.461	3.036	10	20	DGCD	
Cc1cc(C)c(CCNC(=O)NCc2ccc(N)cc2)c(C)c1	1262579626	VHPVSYSSPBUMMU-UHFFFAOYSA-N	311.429	3.236	10	20	DGCD	
CCCOc1ccc(CN[C@H](CO)CC(F)(F)F)cc1C	1333321837	ONKUKZQHEQIHDP-ZDUSSCGKSA-N	305.340	3.187	10	20	DGCD	
Cc1nnc2c(NCc3ccc(N4CCCCC4)cc3)nccn12	1336374070	YARLWMUZIODDIG-UHFFFAOYSA-N	322.416	3.035	10	20	DGCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CCO1	1346406534	XVKZAZIEALRNFR-SJORKVTESA-N	319.449	3.052	10	20	DGCD	
Nc1ccc(CNC(=O)c2scnc2C2CCCC2)cc1	1515333924	ZCSQNORBEFPEDX-UHFFFAOYSA-N	301.415	3.313	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@@H]1CC[C@@H](CC(=O)O)[C@H]1C	1595894627	NYOTYPULDRPMDH-UKPHBRMFSA-N	304.434	3.251	10	20	DGCD	
Nc1ccc(CCN[C@@H]2CCC[C@H](CCCC(=O)O)C2)cc1	1601216366	YEYJHNMHWNHNDR-NVXWUHKLSA-N	304.434	3.215	10	20	DGCD	
CCN1CCCc2cc(CN[C@@]3(C(=O)O)CC[C@@H](C)C3)ccc21	1776875989	HPSPFEDQCSXBKE-KUHUBIRLSA-N	316.445	3.192	10	20	DGCD	
CC(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	57512288	OYNJPPSRQFPUJJ-GOSISDBHSA-N	318.461	3.306	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cnc(Cl)c(C)c2)c1	119177918	AXMGYSZKDYQBKU-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(OC(F)F)c2)c(O)c1O	177672631	UCMUCOAUVFIGOD-UHFFFAOYSA-N	309.268	3.260	10	20	DGCD	
Cc1cc(O)c(CN(C)CCCNC(=O)OC(C)(C)C)cc1C	118964421	VKDUQOTYLQZVQT-UHFFFAOYSA-N	322.449	3.356	10	20	DGCD	
Cc1cccc(CN2CCC[C@@H](c3nnc4ccccn34)C2)c1O	179623513	RJOSOQZTFWJVTL-MRXNPFEDSA-N	322.412	3.123	10	20	DGCD	
Cc1ccc(O)c(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1	189619728	KSPYNZDSWMAHOJ-ZFWWWQNUSA-N	317.351	3.274	10	20	DGCD	
COC(=O)[C@H](NCc1cccc(C)c1O)c1cc(C)cc(C)c1	189623734	CTCDYEBHGHMKLH-QGZVFWFLSA-N	313.397	3.321	10	20	DGCD	
COc1cc(C)cc(CN(C)Cc2ccc(N(C)C)cc2)c1O	126372537	NMURXDUYKADBTD-UHFFFAOYSA-N	314.429	3.407	10	20	DGCD	
CN(C)c1ccc(CNC(=O)/C=C/c2ccc(Cl)nc2)cc1	123864704	NLABGIXMGBFCNE-UXBLZVDNSA-N	315.804	3.131	10	20	DGCD	
Cc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccccc3O)C2=O)cc1	189092505	SLRHPKGNINZSNN-MAUKXSAKSA-N	324.424	3.152	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cc3ccccc3[nH]c2=O)c1	182464603	LOUSNLPNFBMKHJ-GFCCVEGCSA-N	324.380	3.093	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1O	186165597	RWGBWUAYAHZEGV-SGTLLEGYSA-N	301.361	3.016	10	20	DGCD	
Cc1cc(O)c(CN2CCOC3(CCOCC3)C2)cc1C(C)C	131218222	GXNSHZNLJVWXCC-UHFFFAOYSA-N	319.445	3.205	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1	47890546	WWGZVRBMJWTEPT-OAHLLOKOSA-N	324.428	3.242	10	20	DGCD	
CCC1=C(C(=O)NCc2ccc3c(c2)CCCN3C)CCCO1	190714074	GEXQXLZFHIPPGT-UHFFFAOYSA-N	314.429	3.160	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC(n2ccnc2)CC1	191284865	FSPSXZOLZDEFBR-UHFFFAOYSA-N	309.772	3.218	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2ccc(F)cc2O1	255718999	PQFXSKJCVJFPDK-SRMRHOMVSA-N	316.307	3.187	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2CCO[C@@H](C(C)C)C2)c1O	273742790	LZNNNLBFGIQPKJ-UONOGXRCSA-N	313.825	3.347	10	20	DGCD	
COc1cccc(CNC[C@@H]2CCC3(CCCCC3)O2)c1O	276643085	RAUSKFWVBQFDKH-HNNXBMFYSA-N	305.418	3.372	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)NCc2ccc3c(c2)CCO3)n[nH]1	277457106	QBZNKBCFLKRHBP-NWDGAFQWSA-N	300.406	3.104	10	20	DGCD	
CCNC(=O)[C@@H](C)N[C@H](CC)c1cc(Cl)cc(Cl)c1O	286887810	ISNOPZHSIWHQAA-PRHODGIISA-N	319.232	3.264	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1cc(C)no1	802061704	RFUMTMRBMREMOL-UHFFFAOYSA-N	317.389	3.201	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2nnnn2C2CC2)c1O	808716437	NOLYMJIMNILMQT-NXEZZACHSA-N	321.812	3.087	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1ccc(Br)cc1O)C(C)(C)O	295100899	VZHKWNUCRUNTDR-TVQRCGJNSA-N	316.239	3.355	10	20	DGCD	
COc1cccc(O)c1CN(CCN(C)C)Cc1cccs1	809746752	YUSNLODJDRSFBC-UHFFFAOYSA-N	320.458	3.026	10	20	DGCD	
CCN1CCCC[C@H]1CNCc1cc(Cl)c(F)cc1O	816550552	USXNOWCLFBOXAF-LBPRGKRZSA-N	300.805	3.149	10	20	DGCD	
CN(C)c1ccc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)cc1	814765830	UCXAPGUNXSUDOB-UHFFFAOYSA-N	323.352	3.024	10	20	DGCD	
C[C@@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1	813875182	IGPGVLIFSZUHOG-WXSAJPJJSA-N	302.462	3.344	10	20	DGCD	
C[C@H](NCC[C@@H]1CCNC1)c1ccc(Cl)c(Cl)c1O	817955131	QTMQFUJSTOSYKQ-UWVGGRQHSA-N	303.233	3.349	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(CC)cc1O	819761481	ROSBHHWRECKRKQ-UHFFFAOYSA-N	320.385	3.076	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccoc1C1CC1	819760936	KJTRVUKJDVQTCH-UHFFFAOYSA-N	306.358	3.278	10	20	DGCD	
Cn1ncc2ccc(CNCc3c(O)ccc(Cl)c3F)cc21	812772704	ZWNCHIHAYZTCNF-UHFFFAOYSA-N	319.767	3.361	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NC[C@H]3CC=CCC3)ccc21	726244536	INPXRCTVKLURFC-HNNXBMFYSA-N	313.445	3.225	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC[C@H]1CC1(Cl)Cl	820450610	LCJAJQJMDMNQQV-YWNRKNDBSA-N	317.168	3.238	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(COCCO)cc1	822520578	HNLLLRHSFBDKRY-UHFFFAOYSA-N	314.429	3.182	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2cnc(C)s2)cc1OC	491872757	WXYVEHCXAKZZSK-SOFGYWHQSA-N	318.398	3.145	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@@]3(C(=O)O)C2)cc1	901526574	WYIRIFIJQYNGAT-QFBILLFUSA-N	316.445	3.220	10	20	DGCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(F)c1F	588407845	FMOFEPYSTJUMPC-BJPMOSCESA-N	319.307	3.267	10	20	DGCD	
C[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C	734508805	JBSMEKKRHZBBKM-CQSZACIVSA-N	308.441	3.434	10	20	DGCD	
Cc1cc(CN2CCC[C@H](C(=O)O)C2)c(O)c(C(C)(C)C)c1	738382363	HBVGPAQVZHMYMW-ZDUSSCGKSA-N	305.418	3.295	10	20	DGCD	
Cc1nc(C)c(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)o1	839918427	MAXBPGLTUCKIGD-GFCCVEGCSA-N	315.417	3.027	10	20	DGCD	
CN(C(=O)NCCCSc1nccs1)C1CC(C)(C)C1	838513964	MTTWRBCCQJSIDM-UHFFFAOYSA-N	313.492	3.455	10	20	DGCD	
COc1ccc(N(Cc2cccs2)CC2OCCO2)cc1	741156946	AJZYJLZAKXRVOS-UHFFFAOYSA-N	305.399	3.136	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(F)F)nc2)c1	847590853	IRUGILDJPQDWPB-VIFPVBQESA-N	322.311	3.224	10	20	DGCD	
COC(=O)Cc1ccccc1CN[C@@H](C)c1cc(C)ccc1O	848571478	BZVCPMRFOLUYHN-AWEZNQCLSA-N	313.397	3.267	10	20	DGCD	
CC(C)Oc1ncc(C(=O)NCc2ccccc2O)cc1Cl	748345088	HXLLOVUBKJEKOO-UHFFFAOYSA-N	320.776	3.158	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H]2CCCN(CC3CC3)C2)c(O)c1	853239281	DHWZJFUJTWHIMY-DOTOQJQBSA-N	302.462	3.473	10	20	DGCD	
C[C@@H](NC(=O)COc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	757705747	XIKGDXAINVNRGJ-LLDVTBCESA-N	316.445	3.072	10	20	DGCD	
COc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C	854324759	OJAKEMKMJFUXQB-UHFFFAOYSA-N	312.413	3.342	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)Cc2ccccc2)cc1Cl	757856875	IFJUYNJASBOLRP-HNNXBMFYSA-N	305.805	3.388	10	20	DGCD	
C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1O	756673282	XVSUQYUHQNCMMQ-SNVBAGLBSA-N	317.301	3.059	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1c(Cl)c(C)nn1C	921746404	CKMSGTMGRBHPBF-UHFFFAOYSA-N	306.841	3.046	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)C1(CO)CC1	855480200	ZAZKJUATBDLGRN-CYBMUJFWSA-N	318.442	3.046	10	20	DGCD	
CCOc1ccc(CN[C@@]2(C)CCCC[C@@H]2C(=O)OC)c(O)c1	757801864	YBUKBGBATNJDPH-QAPCUYQASA-N	321.417	3.002	10	20	DGCD	
CC(C)(C)OC(=O)c1ccnc(NC(=O)c2cc(O)cs2)c1	857300763	WSORILQCVZAZLG-UHFFFAOYSA-N	320.370	3.056	10	20	DGCD	
CCO[C@H](C)C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863166511	VZGKNSNPPSLJOX-OAHLLOKOSA-N	300.402	3.135	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H]1CCCN1CC(F)F	862468512	JZLIJJMKVJBCFB-JTQLQIEISA-N	322.758	3.004	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Cc2csc(C(C)(C)C)n2)c1	862758831	NAEWAKOPKJRZPT-UHFFFAOYSA-N	318.442	3.314	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1	764083589	CZHFACQQPKKUMS-UONOGXRCSA-N	303.402	3.136	10	20	DGCD	
CCOc1cccc(CN(C)[C@@H]2CCN(CC)[C@H](C)C2)c1O	769470046	JIDRSGLZVGVYHW-GDBMZVCRSA-N	306.450	3.096	10	20	DGCD	
COC(=O)c1ccc(CN(C)Cc2c(O)cccc2Cl)cc1	768782262	CIPFLUYUIAEQFC-UHFFFAOYSA-N	319.788	3.464	10	20	DGCD	
C[C@@H](NC(=O)Nc1cccc(F)n1)c1ccc(N(C)C)cc1	775787955	BZJVJUCIDGLPMI-LLVKDONJSA-N	302.353	3.169	10	20	DGCD	
Cc1ccc(CNc2cc(N3CCOCC3)ccc2C)c(O)c1	877494116	KWDDMQIUFHWZMO-UHFFFAOYSA-N	312.413	3.458	10	20	DGCD	
CCOc1cccc(CNc2ccc(N3CCCC3)cn2)c1O	776036203	CLZURPVTUHLBKO-UHFFFAOYSA-N	313.401	3.398	10	20	DGCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)c2cccc(F)c2O1	776008643	UKALTKVBNFXAMM-SNVBAGLBSA-N	317.316	3.048	10	20	DGCD	
CCCCN(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1	775652001	DOYYRLKBWWOTBR-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
C[C@@H]1CC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@H](C)O1	773428305	LMAQTHDGZMZYLX-MGPQQGTHSA-N	319.449	3.069	10	20	DGCD	
O=C(OCc1coc(-c2cccs2)n1)c1cccc(O)c1O	776282714	VKKFHDWHPUYEIY-UHFFFAOYSA-N	317.322	3.171	10	20	DGCD	
C[C@@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1	779510758	QSWUVWLZBCFVBR-GDAGCXPBSA-N	311.381	3.421	10	20	DGCD	
Cc1ccc(CNc2ccc(C)c(N3CCNC3=O)c2)c(O)c1	877483700	PVIWIVNWDYXPFR-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H]2COC3(CCCC3)O2)cc1	774467942	FYLYALPERMOXBP-CRAIPNDOSA-N	318.461	3.479	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)c1ccc(F)cc1)c1c(O)cccc1F	886527921	CKVZNDYHOKNKRC-RVPKQNPDSA-N	307.340	3.443	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCC1([C@H](O)c2ccccc2)CC1	883074701	GMZAGFZVIYEIGY-QGZVFWFLSA-N	319.351	3.274	10	20	DGCD	
C[C@@H](NC(=O)N1CCSCC[C@H]1C)c1ccc(N(C)C)cc1	790503807	XRQPSWXAZSEPPJ-ZIAGYGMSSA-N	321.490	3.351	10	20	DGCD	
COC(=O)C(C)(C)CCNCc1ccc(N2CCCCC2)cc1	792939398	JFUKMDHFDWOLRY-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
O=C(O)[C@H]1C[C@H](NCc2ccc(F)c(F)c2O)c2ccccc21	1605983886	PHVFXWSGYJNDPR-JSGCOSHPSA-N	319.307	3.073	10	20	DGCD	
Cc1cc(O)c(CN[C@](C)(C(=O)O)c2ccc(F)cc2)cc1C	1600286873	YLRWKMYTTWFGAG-SFHVURJKSA-N	317.360	3.238	10	20	DGCD	
C[C@H](NCc1ccccc1CC(=O)O)c1cc(F)ccc1O	1604346534	JOMKLVYMHRJGCN-NSHDSACASA-N	303.333	3.009	10	20	DGCD	
Cc1ccc(O)c(CNCc2cc(C(=O)O)ccc2Cl)c1	1607811359	JCWFXGDJRIZLLN-UHFFFAOYSA-N	305.761	3.342	10	20	DGCD	
O=C(O)[C@@H]1CN(Cc2cc3c(cc2O)CCC3)Cc2ccccc21	1608645154	IMDLYAVNFVOBRT-GOSISDBHSA-N	323.392	3.065	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc2c(c1)CCC2=O	1597772237	TUFSUDJTXPKZBO-UHFFFAOYSA-N	300.310	3.248	10	20	DGCD	
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccc(OCC(=O)O)cc1	1777065444	NDHCSPBAFCOUHF-AKAXFMLLSA-N	321.417	3.180	10	20	DGCD	
CCC[C@H](C)C[C@@H](NCc1ccc2c(c1)CCN2CC)C(=O)O	1776752156	BIFULVPSZBAEDX-WMLDXEAASA-N	318.461	3.438	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(C(=O)NCCCSc2nccs2)C1	154593752	MBLYNGIUBGIZHA-TXEJJXNPSA-N	313.492	3.313	10	20	DGCD	
CC(C)CCNC(=O)NCc1ccc(N2CCSCC2)cc1	42905603	VWVBBJVSZDAAOW-UHFFFAOYSA-N	321.490	3.085	10	20	DGCD	
c1nc(CCNCc2ccc(N3CCCCC3)cc2)cs1	108941980	PBCFXXWSYQHLJH-UHFFFAOYSA-N	301.459	3.466	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@H](CCO)c2ccccc2)cc1F	126885651	GIWALDPTQJMAKO-GOSISDBHSA-N	316.420	3.447	10	20	DGCD	
CC[C@@H](N[C@@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1	158225544	SFLQXPNDUJSRAR-UYAOXDASSA-N	312.457	3.397	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1csc(C(C)(C)C)n1	171267572	KVSCRJHQNRLVKL-UHFFFAOYSA-N	318.442	3.347	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCN(C)[C@H](C)C2)cc1F	174515365	DWQDAIPIKVNASQ-GDBMZVCRSA-N	307.457	3.244	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)c(O)c1O	177665807	HZSKOESZUPLFDM-LBPRGKRZSA-N	303.383	3.445	10	20	DGCD	
CCOCc1cc(CN[C@@H](C)C(=O)OC(C)(C)C)ccc1OC	178932661	KDWQBTLRHQPPBJ-ZDUSSCGKSA-N	323.433	3.052	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]2c2cccn2C)c1O	179706517	KWRMSWPGBRDXOE-INIZCTEOSA-N	300.402	3.467	10	20	DGCD	
COc1cccc(OCCN[C@@H](C)c2cc(OC)ccc2O)c1	182405038	ZVGSEFSVFBJEOM-ZDUSSCGKSA-N	317.385	3.139	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CCCc3occc32)cc1OC	182801794	XUFFWXKXQHGEGS-CYBMUJFWSA-N	303.358	3.170	10	20	DGCD	
Cc1cccc(OC[C@H](O)CN[C@@H](C)c2ccc(C)cc2O)c1	185129776	VXDPZPWAFMSLNX-JKSUJKDBSA-N	315.413	3.100	10	20	DGCD	
CCOc1cccc(CN[C@H]2CCCO[C@@H]2CC(C)C)c1O	185199591	JLHHUBXJCMIHFB-DOTOQJQBSA-N	307.434	3.474	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C1CCCC1	186424602	ADNXTILRYCSSSN-LBPRGKRZSA-N	305.418	3.361	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1	186444362	QLKHUOLCHHCVPA-FQEVSTJZSA-N	308.425	3.384	10	20	DGCD	
Cc1cccc(CNCC2CCN(CC(F)(F)F)CC2)c1O	188750734	KHKBFWSUDRBEDW-UHFFFAOYSA-N	316.367	3.065	10	20	DGCD	
COCCc1ccccc1NCc1cc([N+](=O)[O-])ccc1O	188953926	OUBSPNXXSHBCLS-UHFFFAOYSA-N	302.330	3.101	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCc2ccccn2)cc1	194434733	KJYFMCCWSOPOMF-UHFFFAOYSA-N	311.429	3.177	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@@H]1CCOC2(CCC2)C1	268998166	YIKPVDRDMJGVLQ-QGZVFWFLSA-N	300.446	3.478	10	20	DGCD	
C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1	271640816	DSYRLFOIGJJJOC-RHSMWYFYSA-N	304.434	3.089	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnc([C@@H](C)O)s2)cc1	289297616	QKGHAPQNYAYBHE-CYBMUJFWSA-N	319.474	3.332	10	20	DGCD	
COCC1(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCC1	293597735	DDVCPZULJITCDI-LBPRGKRZSA-N	308.378	3.158	10	20	DGCD	
CC[C@@H](NCC1(COC)CCOCC1)c1ccc(C)cc1O	293800398	UXJUCLLILMJCMU-MRXNPFEDSA-N	307.434	3.185	10	20	DGCD	
Cc1cccc(CN2CCC(CO)(c3ccccc3)CC2)c1O	293806470	DQNJRMNHVUMOFD-UHFFFAOYSA-N	311.425	3.227	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1C	294825362	PKHURNZWLXVNJB-OAHLLOKOSA-N	318.461	3.123	10	20	DGCD	
COc1cccc(CNC(=O)NCCC(C)(C)C2CC2)c1O	297198146	CQCJVAWBECEBHW-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1	319788009	MQYJQLLRGOQPQC-NWDGAFQWSA-N	311.385	3.282	10	20	DGCD	
Cc1c(CNC(=O)N[C@H]2CC[C@H](F)C2)n(C)c2ccccc12	346291974	AALXANBOSVRYPM-STQMWFEESA-N	303.381	3.177	10	20	DGCD	
Cc1c(CNC(=O)CC[C@H]2CC[C@@H](C)O2)n(C)c2ccccc12	348657010	BGKCSFZFJLYPHV-UKRRQHHQSA-N	314.429	3.451	10	20	DGCD	
COc1ccc(O)c(CN2CCO[C@H](c3ccccc3C)C2)c1	367739530	GOFSLCZHQJZZJM-IBGZPJMESA-N	313.397	3.283	10	20	DGCD	
COc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)c1	741915688	RTVVYEQCYGXTRP-UHFFFAOYSA-N	324.424	3.316	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](N3CC=CC3)C2)cc1C(C)C	742163822	WLEVWAFLNOYJRK-QGZVFWFLSA-N	300.446	3.270	10	20	DGCD	
COc1cccc(CNCc2coc(-c3ccccc3)n2)c1O	742374235	SBXXIRMMNGGHMT-UHFFFAOYSA-N	310.353	3.346	10	20	DGCD	
C[C@H](CNC(=O)c1cc(O)cs1)Oc1cccc(Cl)c1	743718342	MPFVMMCJRDYUDN-SECBINFHSA-N	311.790	3.304	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@H](COCc2ccccc2)C1	743718365	NMJUSGDMZLQUKV-AWEZNQCLSA-N	317.410	3.133	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C	745788194	GUHOPGQVKRBEOJ-GJZGRUSLSA-N	315.461	3.399	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	748459860	KOVKOFQEVZDNOM-OLMNGRFOSA-N	300.402	3.016	10	20	DGCD	
C[C@@H]1CSCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	753203867	KWRSAGBFDZHDQS-UONOGXRCSA-N	321.490	3.208	10	20	DGCD	
Cc1cc(C)c(O)c(CN2C[C@@H](C(F)(F)F)O[C@H](C)C2)c1	754736845	NWLNAILVGIYEDQ-YPMHNXCESA-N	303.324	3.161	10	20	DGCD	
CC(C)C[C@H](CN[C@@H](C)c1cc(F)cc(F)c1O)N(C)C	756400004	SMDNPDMJRKSLTI-WCQYABFASA-N	300.393	3.297	10	20	DGCD	
COc1cccc(CNCCC2CC(OC(C)(C)C)C2)c1O	762462579	XAHGCFYTYYJIKM-UHFFFAOYSA-N	307.434	3.474	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CC2(CC2)C(=O)O1	763671147	JDSAJIHYSSFKTR-KRWDZBQOSA-N	316.445	3.059	10	20	DGCD	
Oc1ccc([C@@H]2CCCN2Cc2cc3c(cc2O)OCO3)cc1	769106876	PZIJXFAHGJRIDZ-HNNXBMFYSA-N	313.353	3.164	10	20	DGCD	
Oc1ccccc1CN1CCC(O)(Cc2ccc(F)cc2)CC1	775996047	JHARSRIOIVWVDV-UHFFFAOYSA-N	315.388	3.101	10	20	DGCD	
O=C(OCc1ccc(OC(F)F)cc1)c1cccc(O)c1O	776278870	GSAOXAAZWUMYOR-UHFFFAOYSA-N	310.252	3.056	10	20	DGCD	
COc1ccc(CNC[C@H](c2ccnn2C)C(C)C)cc1C	788074085	CBAHZNRHGBKTSO-INIZCTEOSA-N	301.434	3.267	10	20	DGCD	
CCOC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C	788834728	YCHKGLAAEASJPN-PBHICJAKSA-N	321.465	3.174	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2C(C)(C)C2(C)C)c1	793309979	WBTBNDLEPRDGSQ-LLVKDONJSA-N	320.433	3.443	10	20	DGCD	
Cc1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)co1	801622046	SULBGHGJFIJREJ-UHFFFAOYSA-N	312.325	3.124	10	20	DGCD	
CC(C)[C@H](CO)CN[C@@H](C)c1cc(Br)ccc1O	806169822	RIJBKTBYGAJJID-QWRGUYRKSA-N	316.239	3.070	10	20	DGCD	
C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(N(C)C)c(F)c1	809701403	XMGSSYZFWYQRKE-ZBFHGGJFSA-N	308.441	3.407	10	20	DGCD	
CNC(=O)Oc1cccc(NCc2cccc(Cl)c2O)c1	814175367	UENMLPWJDREHEE-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
O=C1NCCc2ccc(NCc3ccc4ccccc4c3O)cc21	816563670	GJSLIOWIZSQHOW-UHFFFAOYSA-N	318.376	3.443	10	20	DGCD	
CCCCC[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC	816590356	XZGOKCIXYMEMFG-ZDUSSCGKSA-N	317.788	3.396	10	20	DGCD	
C[C@@H](NC[C@H]1CCCCN1)c1cccc(C(F)(F)F)c1O	817948871	FDHANRQFOUPTRQ-GHMZBOCLSA-N	302.340	3.204	10	20	DGCD	
C[C@H](CN)CN[C@H](C)c1cc(Br)cc(Cl)c1O	817962466	MSWBHAPUFQCJHW-HTQZYQBOSA-N	321.646	3.054	10	20	DGCD	
CCc1cc(=N[C@H](C)c2ccc(N3CCOCC3)cc2)cc[nH]1	827457569	AIXXKFFDXZZHNB-OAHLLOKOSA-N	311.429	3.076	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)[C@H](C)c2ccccc2)c1	828681881	HKAHINNRLDDOKV-BIENJYKASA-N	315.413	3.216	10	20	DGCD	
CC(C)(C)C[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	837168337	UXCGNLYREQUXGO-VSKVDJIOSA-N	303.402	3.396	10	20	DGCD	
CCC[C@H](CC)NCc1cc(F)c(N2CCOCC2)c(F)c1	839143714	BJJQWLXDBUDLFA-AWEZNQCLSA-N	312.404	3.470	10	20	DGCD	
CCOc1ccc(O)c(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1	839192312	NEQHQWQHPQDITE-PKOBYXMFSA-N	319.445	3.164	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1C[C@@H](C)N(C2CC2)C1	840893389	IYDKLYWBNNTDJG-JZXOWHBKSA-N	315.505	3.207	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)[C@H]4CCCOC4)ccc31)CCCC2	843019471	SPJQCWOVNXJLEH-ZDUSSCGKSA-N	313.397	3.389	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H]2[C@@H]2CCCOC2)c1	843417148	PWXLXBHBKWIXPH-PBHICJAKSA-N	305.418	3.182	10	20	DGCD	
CCc1cccc(CNCc2ccccc2OCCOC)c1O	848895812	YREHACCJWFAOSX-UHFFFAOYSA-N	315.413	3.270	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1CC(F)F)c1ccc(N(C)C)cc1	858478901	DQAFGZJNIUFDBY-XJKSGUPXSA-N	311.420	3.133	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1	858537114	MNUHMHNGXMUHKN-GDBMZVCRSA-N	302.418	3.326	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1	862760478	RSTBTYUVQUSGDF-OLZOCXBDSA-N	317.335	3.399	10	20	DGCD	
CC(C)[C@@H](NC(=O)CN(C)c1ccc(N)cc1)c1ccccc1	863557773	ULDOSZCYFKAUTI-LJQANCHMSA-N	311.429	3.219	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC(F)CC1	883694925	QJAXJONVZIWJKS-AWEZNQCLSA-N	321.440	3.136	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCO[C@H](c2cccc(F)c2)C1	893995752	OYXIUBZUCVETTP-INIZCTEOSA-N	323.314	3.383	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCOc3c(F)cccc32)c1O	894532687	DNWWKHMAROKJEW-OAHLLOKOSA-N	317.360	3.462	10	20	DGCD	
C[C@@H](NCC1CC2(C1)OCCO2)c1ccc2ccccc2c1O	926999829	DYDQMJURKFTPIQ-CYBMUJFWSA-N	313.397	3.349	10	20	DGCD	
C[C@@H](NCCO[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1O	927080404	IYQVOSYMUXKHDX-NXEZZACHSA-N	320.216	3.155	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCC[C@H](C)C1)c1ccc(F)cc1O	1117140051	YXLVUPTVDQCHMP-BBRMVZONSA-N	322.424	3.221	10	20	DGCD	
C[C@@H](c1ccsc1)N1CCN(Cc2ccc(N)cc2)CC1	1120370860	HSGIEYOBHUFMJZ-AWEZNQCLSA-N	301.459	3.209	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1	1335665248	HIGWSENEALRZMQ-CTYIDZIISA-N	313.376	3.153	10	20	DGCD	
Nc1ccc(CNC(=O)N2CC[C@H](C3CCCCC3)C2)cc1	1357792483	ZAMJUDGEWLWUNB-INIZCTEOSA-N	301.434	3.381	10	20	DGCD	
CCCN(Cc1cc(C(=O)O)c(C)[nH]1)Cc1ccccc1O	1595886126	YVXZCGAYXFNKBW-UHFFFAOYSA-N	302.374	3.139	10	20	DGCD	
CCc1cccc(CN2C[C@H](C(=O)O)Cc3ccccc32)c1O	1597586490	DZKVHYGRYMPKBI-MRXNPFEDSA-N	311.381	3.218	10	20	DGCD	
CN(Cc1c(F)cccc1F)c1ccc(OCC(=O)O)cc1	1606145488	CDCZNBQOTRGFCH-UHFFFAOYSA-N	307.296	3.065	10	20	DGCD	
CCN(C)c1ccc(CNCc2cc(C(=O)O)co2)c(C)c1	1776856472	DMFUGLLDFTZZLN-UHFFFAOYSA-N	302.374	3.032	10	20	DGCD	
COCCCOCCN(C)Cc1c(O)ccc2ccccc12	91026203	LGVJWWGYGFZWEY-UHFFFAOYSA-N	303.402	3.030	10	20	DGCD	
COc1ccc(O)c([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1	124723387	SXBANVHOZHWXBO-HNNXBMFYSA-N	318.760	3.251	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2F)c(OC)c1	131665594	BMOPHDADFXJPSP-INIZCTEOSA-N	323.339	3.152	10	20	DGCD	
Cc1cccc(CN2CCC(NC(=O)c3ccccc3)CC2)c1O	179642245	IJYOPBIDUOHBNL-UHFFFAOYSA-N	324.424	3.095	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc([C@H](C)O)cc2)c1	185119732	XBLSJDNAVXCFLR-STQMWFEESA-N	301.386	3.305	10	20	DGCD	
COC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccc(C)o1	185630350	BDKYTQICKQTWOK-SWLSCSKDSA-N	305.374	3.341	10	20	DGCD	
COC[C@@H](N[C@H](C)c1cc(Br)ccc1O)C1CC1	186153332	FGDLGOBYRIOJIX-NOZJJQNGSA-N	314.223	3.230	10	20	DGCD	
Cc1cccc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O	188808387	TWQYYHHGWRYAMF-HIFRSBDPSA-N	317.351	3.274	10	20	DGCD	
CN(c1ccc(CNC(=O)c2cn[nH]c2)cc1)C1CCCCC1	195077115	BHNLVHTUCQPQQC-UHFFFAOYSA-N	312.417	3.109	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)/C=C\SCc1ccco1	255697306	USTPCMNSCDHVBL-NTMALXAHSA-N	303.383	3.391	10	20	DGCD	
CCc1nc([C@H](C)N[C@H](CC)c2ccc(N(C)C)cc2)n[nH]1	271443600	FKTXFCXTMJXBLY-SWLSCSKDSA-N	301.438	3.235	10	20	DGCD	
CC[C@@H](NCC1(N2CCCC2)CCOCC1)c1ccccc1O	274954506	VOFISAUIZNNCEW-QGZVFWFLSA-N	318.461	3.078	10	20	DGCD	
CC[C@@](C)(OC)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	281279848	XKATUXFVJHPEAJ-LJQANCHMSA-N	318.461	3.450	10	20	DGCD	
CN(CCc1ccnn1C)Cc1ccc(N2CCCCC2)cc1	284179824	YFRCEMIVEZYHKU-UHFFFAOYSA-N	312.461	3.085	10	20	DGCD	
CC[C@@H](NCCCNC(=O)C1CCC1)c1cccc(Cl)c1O	287561271	GGXJLXDLKOZXQU-OAHLLOKOSA-N	324.852	3.393	10	20	DGCD	
CC[C@@H](C)NC(=O)CCN[C@H](CC)c1cccc(Cl)c1O	287687580	MYPZPNFQZKPCAP-BXUZGUMPSA-N	312.841	3.391	10	20	DGCD	
CCc1nc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)o1	292504556	CREIUBCSAXVZDE-UHFFFAOYSA-N	313.401	3.076	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](O)Cc2cccc(F)c2)c(O)c1	297250536	JFUXZUCXEZRODB-CZUORRHYSA-N	303.377	3.094	10	20	DGCD	
CC1(C)CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1	315511373	DTLMUBRHLULNDY-GQCTYLIASA-N	304.346	3.319	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)C(C)(C)C)CC2)cc1	363224198	RZJNYJVOIZSLIV-HNNXBMFYSA-N	318.461	3.416	10	20	DGCD	
CC[C@H](N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(N(C)C)cc1	374527098	NUMPGFNRBXNERQ-NEWSRXKRSA-N	318.461	3.131	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC(C)(C)N	390018492	RUHYUXCAVNADTM-UHFFFAOYSA-N	317.477	3.153	10	20	DGCD	
O=C(O)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C1CCC1	399210887	PXYKFRRDZRRRJF-NSHDSACASA-N	304.173	3.042	10	20	DGCD	
Oc1cccc(Br)c1CN1CCCC(F)(F)C1	707135818	RHTOOBMRQXROPY-UHFFFAOYSA-N	306.150	3.386	10	20	DGCD	
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(O)cs1	731865746	GGIPUXABSFCJLR-UHFFFAOYSA-N	313.325	3.327	10	20	DGCD	
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1	732276619	NBKGVWFBVPJIGN-JTQLQIEISA-N	318.398	3.234	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2C)s1	734406216	NSYHTBYLGRAOAR-UHFFFAOYSA-N	316.426	3.255	10	20	DGCD	
COc1ccc(N(Cc2cc(=O)c(O)co2)CC(C)C)cc1	736308663	LURWJAZFUPDRTN-UHFFFAOYSA-N	303.358	3.017	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1	739922391	JVPDAMGUVLCIAC-RVKKMQEKSA-N	318.461	3.462	10	20	DGCD	
COc1ccccc1C(=O)NCc1ccc2c(c1)CCCN2C	746808782	KYXFYDGITGHHIY-UHFFFAOYSA-N	310.397	3.008	10	20	DGCD	
Cc1noc(C)c1N(C)C(=O)c1cc(C)n(-c2ccccn2)c1C	748552960	XCUIBGYPPYHTMA-UHFFFAOYSA-N	324.384	3.371	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](OC)C1(C)C	753557521	OQUBLEGSWQNDLC-CVEARBPZSA-N	320.433	3.127	10	20	DGCD	
COc1ccc(O)c(CNc2nc(C)cc(C(F)(F)F)n2)c1	754030245	MOKHIZLFPZUSKH-UHFFFAOYSA-N	313.279	3.130	10	20	DGCD	
C[C@@H]1CC[C@](CNCc2ccc(N(C)C)cc2)(CC(=O)O)C1	756312511	QVHGZZXBKNOUNM-RDTXWAMCSA-N	304.434	3.123	10	20	DGCD	
CC[C@@]1(C)CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	758731232	YZUCTUPNFTXNRD-KRWDZBQOSA-N	307.413	3.223	10	20	DGCD	
CC(C)CN1CC(=O)N[C@H]1c1cc(Cl)c2ccccc2c1O	774545893	BLTDPANALQVSGY-QGZVFWFLSA-N	318.804	3.285	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)CCC[C@@H]2C)c1O	774905795	RVWQDDWSTQEEHM-NEPJUHHUSA-N	308.378	3.320	10	20	DGCD	
CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(N(C)C)cc2)C1	775202279	UJVLDVGTEKRYEQ-LJQANCHMSA-N	318.461	3.164	10	20	DGCD	
CC[C@@H](NCCN1CCC1)c1ccc(Cl)c(Cl)c1O	775525076	XNQXKTNKEPCKQN-GFCCVEGCSA-N	303.233	3.445	10	20	DGCD	
C[C@H](NCc1nc(C(C)(C)C)no1)c1ccc(N(C)C)cc1	775833246	AEPROLFHWLCBEO-LBPRGKRZSA-N	302.422	3.284	10	20	DGCD	
COc1cccc(CNCc2cn(C)nc2-c2ccccc2)c1O	783593730	DJBZHAZFZMDJFS-UHFFFAOYSA-N	323.396	3.091	10	20	DGCD	
CN(C)c1ccc(CNCC(F)(F)F)c(C(F)(F)F)c1	793166166	ANLCJOCXCDGZEF-UHFFFAOYSA-N	300.246	3.423	10	20	DGCD	
COc1cc(C)cc(CN2CCCC[C@@H]2c2cc[nH]n2)c1O	795671428	VKKNRYLPNJUKSK-OAHLLOKOSA-N	301.390	3.160	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	796318284	AHHXCGOWOHJBJS-DGCLKSJQSA-N	306.358	3.040	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CC[C@@H]3C3CC3)CC2)cc1	798003844	IPZDPGPRTCEJIA-RTBURBONSA-N	300.446	3.442	10	20	DGCD	
OCC[C@@H](Cc1ccccc1)NCc1cc(Cl)ccc1O	799350585	AAVNYZYBBKRBRO-INIZCTEOSA-N	305.805	3.129	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1ncnn1C(C)(C)C	801526262	HBQTUUPTUHJARB-UHFFFAOYSA-N	314.433	3.385	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCC1CCC1	809388951	JURMVVAFZDQLNL-UHFFFAOYSA-N	324.490	3.095	10	20	DGCD	
CCc1ccc(NC(=S)NCc2ncccc2N(C)C)cc1	811710001	WNXNWCBOJKEUPK-UHFFFAOYSA-N	314.458	3.197	10	20	DGCD	
CCOC(=O)C1(CNCc2ccc3ccccc3c2O)CCC1	816568039	UVSUNKISLSCVKB-UHFFFAOYSA-N	313.397	3.368	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCc2cccnc21	816914063	CCVGDLGDEZCCDC-MRXNPFEDSA-N	310.397	3.256	10	20	DGCD	
CSCC1CCC(NC[C@@H](N)c2ccc(N(C)C)cc2)CC1	817942345	OISOFGHHVJPDFM-JFUPDXTOSA-N	321.534	3.264	10	20	DGCD	
COc1cccc(C[C@@H](NCCc2ccc(N)cc2)C2CC2)c1	817956185	STRGHLJEJRLDRC-HXUWFJFHSA-N	310.441	3.431	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNCCN2CCC2)cc1	824023805	YFKIBRGZXWDOFI-UHFFFAOYSA-N	315.486	3.180	10	20	DGCD	
COCCN(Cc1ccccn1)Cc1cc(Cl)c(C)cc1O	825903949	YAUHTPTXQWCWGG-UHFFFAOYSA-N	320.820	3.398	10	20	DGCD	
CCO[C@@H]1CCC[C@H]1NCc1cc(Cl)cc(C(C)=O)c1O	832571264	ZSTZCPJQQUIBAA-HUUCEWRRSA-N	311.809	3.295	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@]2(C)CCCC[C@H]2C)c1O	835075311	XKZGFDFNOSOIBL-BDJLRTHQSA-N	308.378	3.367	10	20	DGCD	
Cc1cc(Br)cc(CNC[C@@H]2CC[C@@H](C)O2)c1O	835085971	ADWVOYQVHJAYNT-MFKMUULPSA-N	314.223	3.120	10	20	DGCD	
CCOc1cccc(NC(=S)NCc2cc(C)ccn2)c1	840758407	OYDNLZBRWBVJAG-UHFFFAOYSA-N	301.415	3.275	10	20	DGCD	
Cc1cc(CNCc2cc(Cl)cc(Cl)c2O)nn1C	840945238	FUQLKRFQTOLGIL-UHFFFAOYSA-N	300.189	3.031	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](N2CCCC2)[C@@H]1C	840946583	SFHULAKCPOXEOA-LPHOPBHVSA-N	301.478	3.120	10	20	DGCD	
Cc1ccccc1NC(=O)[C@@H](C)N1CCCc2cc(CN)ccc21	843350190	OOZXFDIWAICQBI-OAHLLOKOSA-N	323.440	3.234	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CC(C)(C)O2	843819427	CSQZFYQMONDQSL-UHFFFAOYSA-N	311.381	3.378	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C2CCCC2)C2CC2)cc1	844352862	AMMMNYPDVASOAQ-UHFFFAOYSA-N	302.418	3.065	10	20	DGCD	
COc1cccc([C@H](C)NCCOc2ccccc2F)c1O	846136491	IXYLUIRHRMUDTO-LBPRGKRZSA-N	305.349	3.270	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](O)CCc2ccccc2)c1O	846161988	DOTKTIBTDPLGGI-HOCLYGCPSA-N	315.413	3.045	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCC(F)(F)C1	846475944	HDCKITAPMYRWKH-VIFPVBQESA-N	303.736	3.487	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CCC[C@@H](N)C3)cc2)CC1	848717973	DUXCKLHLJRMUTH-MSOLQXFVSA-N	301.478	3.282	10	20	DGCD	
CCc1cccc(CN2CCC(OC[C@H]3CCCO3)CC2)c1O	848882807	BTQCEJDHUMAFDW-GOSISDBHSA-N	319.445	3.115	10	20	DGCD	
CCCCCC(=O)NC1CCN(Cc2ccc(C)cc2O)CC1	876657165	KSBIKDRLRGOMEP-UHFFFAOYSA-N	318.461	3.362	10	20	DGCD	
Cc1cccc(O)c1CNC1CCC(O)(c2cccnc2)CC1	877398703	GVHITRZUBDHVIQ-UHFFFAOYSA-N	312.413	3.016	10	20	DGCD	
COCCOc1ccccc1NCc1cc(F)cc(F)c1O	883057683	UVTPGKQKNXZOQF-UHFFFAOYSA-N	309.312	3.308	10	20	DGCD	
COc1ccc(CNC2(c3ccccc3F)CC2)c(O)c1OC	892999667	STLJABFVKPOFMR-UHFFFAOYSA-N	317.360	3.327	10	20	DGCD	
Cc1cc(C)cc(NC(=S)NCc2cc(N(C)C)ccn2)c1	905616597	GUMFCBJCPCJFBM-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C(C)C)n1	935949205	VFGMLHMVMVHLFY-UHFFFAOYSA-N	319.401	3.326	10	20	DGCD	
CCc1ccc(C(C)(C)C(=O)NCc2cccc(O)c2O)cc1	1123889789	QIWSGBZODURBGA-UHFFFAOYSA-N	313.397	3.254	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)C1C[C@@H]2CC[C@H](C1)N2C	1256628271	YSKDZHZCLOARRS-YOFSQIOKSA-N	313.489	3.344	10	20	DGCD	
CON(C[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(N)cc1	1335737005	JJDFKWWZAHTEGK-DZGCQCFKSA-N	305.422	3.168	10	20	DGCD	
C[C@@H](NC/C=C\C1CC1)c1ccc(N2CCOCC2)c(F)c1	1347669231	VPMNSPYDSCEFDZ-PYLYLYNFSA-N	304.409	3.279	10	20	DGCD	
O=C(CSc1nccs1)Nc1ccccc1OC(F)F	47241882	KTTJLTOURHQDKV-UHFFFAOYSA-N	316.354	3.475	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1CCCC1	68535618	JOWJQAWHCQBNIU-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
COc1cccc(CNC(=O)NCCCCC(C)(C)C)c1O	74094015	FSYKUDGKPYHEDM-UHFFFAOYSA-N	308.422	3.416	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CSc1ccccc1	115280803	QHWNJZOWPBVWFN-UHFFFAOYSA-N	314.454	3.470	10	20	DGCD	
Cc1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)s1	130350928	MBBHTVNFAUQLNH-IZZDOVSWSA-N	322.436	3.446	10	20	DGCD	
COc1cc(CN2CCCO[C@H](C)C2)c(O)c(C(C)(C)C)c1	178891848	KIZWFWZPDKKLHF-CYBMUJFWSA-N	307.434	3.309	10	20	DGCD	
CCC(CC)c1cc(CNC(=O)c2ccc(C)c(O)c2O)on1	179518077	XTDVPKXKGHUADH-UHFFFAOYSA-N	318.373	3.228	10	20	DGCD	
COCCOc1ccccc1CN(C)c1ccc(OC)c(F)c1	180773779	KSPYFWHIERZZON-UHFFFAOYSA-N	319.376	3.496	10	20	DGCD	
CC[C@@H](CSC)NC(=O)N(C)Cc1ccc(N(C)C)cc1	181446390	ZFFPAXTZPMARCQ-AWEZNQCLSA-N	309.479	3.036	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1O	186136258	WUJKBQBVWXWIRB-NORZTCDRSA-N	311.422	3.237	10	20	DGCD	
C[C@H](CNCc1cccc(Cl)c1O)NC(=O)OC(C)(C)C	192691363	IECGZIVAUXNDRP-SNVBAGLBSA-N	314.813	3.048	10	20	DGCD	
COCCOc1ccccc1CNCc1c(O)cccc1Cl	264987466	WHFJVFOTDMVTQS-UHFFFAOYSA-N	321.804	3.361	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N(C)C)cc1	271966299	CZWZPYIRTKBGEN-CYBMUJFWSA-N	324.428	3.116	10	20	DGCD	
CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cnc(C)s2)C1	283295299	MXSSERYZFXRROQ-NPQIQWPPSA-N	314.410	3.069	10	20	DGCD	
CSC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	291594296	GNQSHWMSCZIGCX-HNNXBMFYSA-N	321.490	3.037	10	20	DGCD	
CO[C@H]1CCN(Cc2cccc(Br)c2O)[C@H](C)C1	302276895	BJDPUBUFIHERKU-PWSUYJOCSA-N	314.223	3.154	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)[C@H](CC)CO1	403837167	CAEWWYBDAOAVNB-HUUCEWRRSA-N	309.381	3.123	10	20	DGCD	
O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc(O)cs1	731868451	ZRQAHMFECCYWQM-UHFFFAOYSA-N	302.355	3.055	10	20	DGCD	
CC(C)c1ccc(OCCNC(=O)c2cc(O)cs2)cc1	731871981	SUMYGVGNNFRPJG-UHFFFAOYSA-N	305.399	3.386	10	20	DGCD	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(O)cs2)cc1F	731910250	QGNNVPFGKUOYPM-SECBINFHSA-N	323.345	3.085	10	20	DGCD	
CCN1CC[C@@H](NCc2ccc(N(CC)CC)c(F)c2)[C@@H](C)C1	742385873	ZJQUHXCEACBORD-MAUKXSAKSA-N	321.484	3.492	10	20	DGCD	
Cc1ccc(O)c(C(=O)NCc2c(O)ccc3c2CCCC3)c1	743718448	PFSKSAXPDVIANG-UHFFFAOYSA-N	311.381	3.215	10	20	DGCD	
CC[C@H]1C[C@@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	745839300	WLPZWRCDENILFE-WBVHZDCISA-N	313.445	3.393	10	20	DGCD	
C[C@@H]1C[C@H](NCCOc2ncccc2F)c2c(O)ccc(F)c21	756761892	RQZOUXDYTWPEIJ-MFKMUULPSA-N	320.339	3.282	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@H](C)c1ccc(F)cc1O	757658167	WQDBAWLFGGJICN-TZMCWYRMSA-N	307.365	3.423	10	20	DGCD	
COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(O)cs2)cc1	762287440	LGFYFXATBPZYKC-LBPRGKRZSA-N	319.426	3.413	10	20	DGCD	
CC1CC(N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1	768226003	XPTBWPYWRIPDLK-NRAUKZCXSA-N	308.853	3.398	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCCC(F)(F)F)cc1F	770715372	GSDQLXOVOSHXMM-UHFFFAOYSA-N	306.303	3.241	10	20	DGCD	
C[C@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(N(C)C)cc1	773017583	HHGMGAIWDMXQOU-LBPRGKRZSA-N	324.384	3.227	10	20	DGCD	
CCCCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccccc1	775868826	DZAOGWTYDZHTAE-KHPPLWFESA-N	311.385	3.332	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2ccc(OC)cc2O)C12CCCC2	776224261	RQRHYIKPLUYCCL-DLBZAZTESA-N	305.418	3.228	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC[C@H](OCC2CC2)C1	777551171	LOWVKMAJTRPVJX-INIZCTEOSA-N	312.413	3.331	10	20	DGCD	
COc1ccc2c(c1)CCN(Cc1c(O)cccc1OC)CC2	784680214	QAOORDQUXHRIRV-UHFFFAOYSA-N	313.397	3.010	10	20	DGCD	
CCc1cncc(C(=O)NCc2ccc(N(CC)CC)cc2)c1	789899042	PIPMRZSOLWHOGC-UHFFFAOYSA-N	311.429	3.420	10	20	DGCD	
CCOc1ccc(CNCc2cccc([N+](=O)[O-])c2C)c(O)c1	791000405	USKYTQSNPUSLOA-UHFFFAOYSA-N	316.357	3.297	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1	793058780	MNFKUSGXNPNMQA-GZBFAFLISA-N	318.417	3.169	10	20	DGCD	
COc1ccc(CNC(=O)[C@H]2CCCc3ccccc32)c(O)c1	794376573	GISILZWARKZHSH-KRWDZBQOSA-N	311.381	3.137	10	20	DGCD	
COc1ccc(CNC(=O)Cc2cc3ccccc3o2)c(O)c1	794382546	YKRMWIHZWNAJJP-UHFFFAOYSA-N	311.337	3.006	10	20	DGCD	
O=[N+]([O-])c1cnc(NCc2cc(Cl)cc(Cl)c2O)nc1	808089033	GWWWJLXZJBTFAB-UHFFFAOYSA-N	315.116	3.009	10	20	DGCD	
COc1ccc(O)c(CN(CCN(C)C)CC2CCCCC2)c1	809737170	PWIJMIQJDQGJDJ-UHFFFAOYSA-N	320.477	3.345	10	20	DGCD	
CCN(C)c1ccc(CN2CCCC[C@H]2CCC(=O)NC)cc1	815117308	NRPGKDHFZAKNAW-SFHVURJKSA-N	317.477	3.023	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cc(F)ccc1F	817938710	QRYXASOMJKFDNM-XIKOKIGWSA-N	319.399	3.381	10	20	DGCD	
COc1ccc([C@@H](C)NCCc2ccc(N)cc2)cc1OC	817955611	CQVZQTMKBXXXNY-CYBMUJFWSA-N	300.402	3.179	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3CCC[C@H](OC)C3)C2)cc1	818222428	SQAJBBSEQZVDHL-GJYPPUQNSA-N	318.461	3.069	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CC1(Cl)Cl	838667635	IKZJOMRKQZEPHU-CYBMUJFWSA-N	317.216	3.118	10	20	DGCD	
COC(=O)c1cc(CN(C)c2ccc(OC)c(F)c2)cs1	839502392	IWTNYGQAMPVULZ-UHFFFAOYSA-N	309.362	3.319	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1nccnc1C	840895163	WAHXZJCXNCKPCW-GDBMZVCRSA-N	312.461	3.441	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(C)n(C)n2)cc1F	840896556	IVEXJEZODHNSJQ-UHFFFAOYSA-N	304.413	3.004	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2cc(O)ccc2C1	840940468	AHNVMSXCEWBUKT-GOSISDBHSA-N	310.441	3.414	10	20	DGCD	
CCN(CC)[C@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1	841301572	UZURZHATOANXKH-OAHLLOKOSA-N	316.405	3.066	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]([C@H]3CCNC3)C2)cc1	843125730	GKKMLMPQVDXSSV-OALUTQOASA-N	315.505	3.354	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1cc(-c2ccco2)on1	843350758	YIRCFOVFIPJOAV-UHFFFAOYSA-N	309.369	3.346	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cccc(OC)c2O)n[nH]1	846167011	QRPGHNGCGDBEKQ-SRVKXCTJSA-N	318.421	3.444	10	20	DGCD	
CCN1C[C@@H](CN[C@@H](C)c2ccc3ccccc3c2O)CC1=O	846210000	VFWNSIZUCXRGIQ-UONOGXRCSA-N	312.413	3.064	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN[C@@H]1CCCN2CCCC[C@@H]12	848575017	KSJJAOSNYFUUAW-KGLIPLIRSA-N	312.816	3.291	10	20	DGCD	
COc1cc(CNCc2cc(C)ccc2O)c2c(c1)C[C@H](C)O2	858238132	VVBGEYAOWFJILE-ZDUSSCGKSA-N	313.397	3.322	10	20	DGCD	
CCc1nocc1CN(C)Cc1cc(F)c(N(C)C)cc1F	862378376	SMLFYNGDTQKSDR-UHFFFAOYSA-N	309.360	3.213	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)OC2CCCCCC2)c1	862758002	LJEKAETYHKLUDT-CQSZACIVSA-N	305.418	3.445	10	20	DGCD	
COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c(F)c1	864042486	OEOLFXACNQBRJK-UHFFFAOYSA-N	322.292	3.069	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CC[C@H](C(=O)O)CC2)cc1F	864525907	PHGFWHZGQBWOAY-SHTZXODSSA-N	322.424	3.405	10	20	DGCD	
Cc1ccc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1	876652316	ARNRBHGBRPSUFL-AWEZNQCLSA-N	320.433	3.047	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H](O)c1ccc(Cl)c(F)c1	877130946	VJPIMHFCFJGBIU-MRXNPFEDSA-N	309.768	3.316	10	20	DGCD	
CCOc1cccc(CNCc2ccc(OC)c(OC)c2O)c1	892593765	ZUWBZOBSNWEGSC-UHFFFAOYSA-N	317.385	3.098	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)COc2ccccc2)c1O	894207796	ZBRHCZFTOVRNEW-CQSZACIVSA-N	301.386	3.266	10	20	DGCD	
COc1cc(O)c(CNc2cnn(C3CCCC3)c2)cc1OC	896696620	JNZOEORTKDMZHB-UHFFFAOYSA-N	317.389	3.333	10	20	DGCD	
CCOCc1cc(CN[C@@H](CC(C)(C)C)C(=O)O)ccc1OC	901806549	RRZNIQIMENFOOH-HNNXBMFYSA-N	323.433	3.211	10	20	DGCD	
c1ccc2c(c1)ncn2CCNCc1ccc2c(c1)CCCO2	921602590	BBKIETZYDDDDBT-UHFFFAOYSA-N	307.397	3.151	10	20	DGCD	
O[C@H](CNCc1ccc2c(c1)CCCO2)c1c(F)cccc1F	921767282	PUPGLNPZLGFSOQ-MRXNPFEDSA-N	319.351	3.113	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2cnn(Cc3cccnc3)c2)c1	1320129724	GDXIAQQTJAAMIN-ZDUSSCGKSA-N	324.384	3.214	10	20	DGCD	
COc1ccc(CNC(=O)C2C[C@H]3CCC[C@H](C2)C3)c(O)c1	1321100773	OUALKMOWNTUSGR-STQMWFEESA-N	303.402	3.233	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@H]3OCCC[C@H]3C2)cc1F	1330090969	GHJWNWIUBAREEV-YVEFUNNKSA-N	310.388	3.032	10	20	DGCD	
N[C@H](CN(Cc1ccccc1O)C1CCCC1)CC(F)(F)F	1580128239	UJOGJVVFVUBSJM-ZDUSSCGKSA-N	316.367	3.417	10	20	DGCD	
CCN1CCc2cc(CNCC3(CC(=O)O)CCCC3)ccc21	1776877265	GFLVLHJINIPTQG-UHFFFAOYSA-N	316.445	3.194	10	20	DGCD	
COc1ccc(N(Cc2cccs2)C[C@@H]2C[C@H]2C(=O)O)cc1	1777367106	WLNYHIYQDPEPSX-BLLLJJGKSA-N	317.410	3.484	10	20	DGCD	
Nc1ccc(CCNC(=O)c2ccc(Br)cc2)cc1	40675569	LDAVKQHBNNICSN-UHFFFAOYSA-N	319.202	3.004	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccc[nH]2)c1O	79400260	XJHMJQAAMQPDTH-MRXNPFEDSA-N	302.349	3.399	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@H]2CCCN(C)C2)cc1	92253910	YBYOAUOXGSWUAM-SFHVURJKSA-N	303.494	3.306	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3cccnc3)cc2)CC1	108295014	BQRFHVOCBQQKCC-UHFFFAOYSA-N	309.413	3.248	10	20	DGCD	
COc1ccc(O)c(CNC[C@](C)(O)c2ccccc2Cl)c1	155086928	KFQUXQSHGHUNLZ-KRWDZBQOSA-N	321.804	3.052	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CCCCC2(C)C)c1O	157163523	IPBZPAFXORDHOE-AWEZNQCLSA-N	306.406	3.169	10	20	DGCD	
C[C@@H](NCCc1ccc2c(c1)OCCO2)c1ccc(F)cc1O	170788794	CEAGYDRWXWTVPX-GFCCVEGCSA-N	317.360	3.196	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3cc[nH]c23)c1	176007471	YWVYNVOGWICJGZ-LLVKDONJSA-N	310.353	3.373	10	20	DGCD	
COc1cc(O)c(CN(C)[C@@H](C)c2cccc(O)c2)cc1OC	180178856	PUGQCSGMZPFMGI-LBPRGKRZSA-N	317.385	3.308	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2ccccc2)c1	182432575	QPBYCWMCBBYJAA-QWHCGFSZSA-N	314.385	3.079	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2cccnc2-n2cccn2)c1	184988484	GOPXVSFJVVXUOM-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
CC(C)NC(=O)CCN[C@@H](C)c1cc(Cl)c(Cl)cc1O	192649963	QGNVBAZDCJPIIJ-VIFPVBQESA-N	319.232	3.264	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](C)CN2CCCCC2)c1	194190386	ACCLFSRANQPSLA-LSDHHAIUSA-N	306.450	3.173	10	20	DGCD	
CC[C@@H](CNCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C	227716502	PCRZWQBPPKSNJE-HNNXBMFYSA-N	321.465	3.146	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H]2Cc3ccccc32)c1O	228673388	GIJZTJDZPUWVND-GFCCVEGCSA-N	303.789	3.484	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCO[C@@H](C)C2)c(C)n1-c1ccccc1	271397665	JPQVWKNJWKVOIM-HOCLYGCPSA-N	312.413	3.391	10	20	DGCD	
CC[C@H](N[C@@H](C)c1ccc(F)c(F)c1O)[C@H](O)C(F)(F)F	276912642	LANINZNLCJTYNB-HQLZOWSPSA-N	313.266	3.023	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1oc(CC)nc1C	293407406	OQXXDZMAWPIYAS-UHFFFAOYSA-N	302.374	3.303	10	20	DGCD	
C[C@@H](CN(C)Cc1cc2c(cc1O)OC[C@H]2O)C1CCCCC1	530109162	WTVOKDWRFHKUPO-SCLBCKFNSA-N	319.445	3.466	10	20	DGCD	
CCCOC(=O)[C@H](C)N(Cc1ccccc1O)C1CCCC1	741785044	NSDGUEGMOMHXHH-AWEZNQCLSA-N	305.418	3.479	10	20	DGCD	
C[C@H](NC[C@@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1O	756455523	DDOVFEVWZVTKGB-JSGCOSHPSA-N	321.367	3.172	10	20	DGCD	
CN(C)c1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1	757705338	UILAMFOEEKGFHQ-UHFFFAOYSA-N	302.330	3.119	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccccc2OC(C)C)c(O)c1O	770486475	KZKDRWFYXIXSLV-UHFFFAOYSA-N	315.369	3.123	10	20	DGCD	
COC[C@@H](CC(C)C)NCc1cccc(Br)c1O	775145041	HNSURLBRGLSSTC-GFCCVEGCSA-N	316.239	3.305	10	20	DGCD	
CC[C@H](NCCOC[C@H]1CCOC1)c1cc(Cl)ccc1O	775504479	YJXOQAUKSBBOSM-WFASDCNBSA-N	313.825	3.139	10	20	DGCD	
CCOc1ccc(CN2CCOCC3(CCCC3)C2)c(O)c1	776015089	AHMXIWRBKCPVIZ-UHFFFAOYSA-N	305.418	3.184	10	20	DGCD	
C[C@H](NC1(C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1	777149495	OFAYZYYPTMGXNF-ZDUSSCGKSA-N	304.409	3.256	10	20	DGCD	
COc1cc(N2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC	784227877	XYXFHINSQPTDLI-NSHDSACASA-N	308.378	3.484	10	20	DGCD	
C[C@@H](NCC(C)(C)CCO)c1cccc(C(F)(F)F)c1O	788608330	FJKRGUNSECQKGB-SNVBAGLBSA-N	305.340	3.470	10	20	DGCD	
CCOC(=O)C1(CNCc2c(O)ccc(Cl)c2F)CCC1	792173703	IWEUCIZXEMGBDT-UHFFFAOYSA-N	315.772	3.008	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)c2ccc3nc(O)oc3c2)c1	796819924	XQVUDKNBELMSOA-SNVBAGLBSA-N	314.341	3.098	10	20	DGCD	
CCC[C@]1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOC1	807141845	WPXTVEHVYNVFSD-KDOFPFPSSA-N	319.449	3.072	10	20	DGCD	
CCCN(CC)C[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	810263755	SDVBBDYUYGXFQD-STQMWFEESA-N	309.410	3.071	10	20	DGCD	
Cc1cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1N(C)C	815119745	GHQOGZRTALGZEF-ROUUACIJSA-N	302.462	3.450	10	20	DGCD	
CC(C)OC[C@@H]1CN(Cc2ccc3ccccc3c2O)CCO1	816571831	RRLKLKMPBRGECP-KRWDZBQOSA-N	315.413	3.171	10	20	DGCD	
C[C@H](CO)N(Cc1cc(Cl)c(F)cc1O)CC1CCC1	816603012	VOGNEDBREFLHKS-SNVBAGLBSA-N	301.789	3.168	10	20	DGCD	
C[C@@H](N[C@H]1CCCNC1)c1ccc(N2CCCCC2)c(F)c1	817940101	DWVDMLQDCUKJJZ-ZBFHGGJFSA-N	305.441	3.219	10	20	DGCD	
CC[C@@H](NCCNC1CC1)c1ccc(Cl)c(Cl)c1O	817954019	VCFDJVHRANPBHE-GFCCVEGCSA-N	303.233	3.492	10	20	DGCD	
CSC1(CNCc2ccc(N3CCC(O)CC3)cc2)CCC1	827663167	ZPURNZRIIODDOQ-UHFFFAOYSA-N	320.502	3.023	10	20	DGCD	
CC[C@@](C)(CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC	834881597	AYYMLBSVWYOCRE-KSSFIOAISA-N	324.440	3.128	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=S)NC1(C)CCC1	840705003	UBZMRGZUDJFNJH-UHFFFAOYSA-N	305.491	3.392	10	20	DGCD	
C[C@@H](c1ccccc1)N1CC[C@H](NCCc2ccc(N)cc2)C1	841035397	NJLRZCJROLLYIZ-JXFKEZNVSA-N	309.457	3.236	10	20	DGCD	
CCC1(CC)CCC(NC(=O)C(=O)Nc2ccc(N)cc2)CC1	841114267	SUPYFFVMGFSHKO-UHFFFAOYSA-N	317.433	3.073	10	20	DGCD	
C[C@@H]1CCCCN1CCCCNC(=O)Nc1ccc(N)cc1	841301892	HQUSJZPDLMMSKJ-CQSZACIVSA-N	304.438	3.045	10	20	DGCD	
CCN(CCSC)Cc1cccc(Br)c1O	843437309	AVAXWQBXQNKCTO-UHFFFAOYSA-N	304.253	3.340	10	20	DGCD	
COc1ccc(N(C)Cc2ccc3c(c2)CNCC3)cc1F	846219052	DTLOOMDBPFULLB-UHFFFAOYSA-N	300.377	3.116	10	20	DGCD	
CC(C)N(CCCc1cncn1C)Cc1ccc(N(C)C)cc1	846776731	WORCMLWMHRBRHF-UHFFFAOYSA-N	314.477	3.329	10	20	DGCD	
COc1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c(O)cc1C	853572424	SDCHRPUMBKFPTG-MAUKXSAKSA-N	319.445	3.490	10	20	DGCD	
CCOCOc1ccc(CNCc2cc(C)ccc2O)cc1	858239301	LFXFNOVQYYWEDF-UHFFFAOYSA-N	301.386	3.363	10	20	DGCD	
CCC(CC)(CNC(=O)NCc1cc(C)ccc1O)SC	858258373	GESWNLSFHHBBLW-UHFFFAOYSA-N	310.463	3.422	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2nc(C(C)(C)C)ns2)c1	860593306	BAIAZZAYLZCBGA-UHFFFAOYSA-N	320.418	3.171	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCSCc2ccccn2)c1	862758515	BNRIVIJMSMEXIY-UHFFFAOYSA-N	316.426	3.035	10	20	DGCD	
Oc1cccc(Br)c1CNc1nccn1C1CC1	865293819	XNITUBYTPUJFMC-UHFFFAOYSA-N	308.179	3.298	10	20	DGCD	
C[C@@H]1CC[C@@H](C(=O)O)C[C@@H]1NCc1c(O)ccc(Cl)c1F	871880772	YAMVKKWRKBSFIC-LNLATYFQSA-N	315.772	3.164	10	20	DGCD	
OC1CCN(c2ccc(CNCCCc3ccccc3)cc2)CC1	876887512	ZSVAJDGHQAUTHV-UHFFFAOYSA-N	324.468	3.370	10	20	DGCD	
CN(C)c1ccc(CN2Cc3cnn(C)c3C2)c(C(F)(F)F)c1	877632629	IAQYIAGFFMJWJD-UHFFFAOYSA-N	324.350	3.021	10	20	DGCD	
COc1ccc(CN[C@@H]2CCc3ccc(F)cc32)c(O)c1OC	892921477	UAVMPNSUXWJGMC-OAHLLOKOSA-N	317.360	3.326	10	20	DGCD	
CS(=O)(=O)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	915362183	ADKYRAMVAKFDAX-UHFFFAOYSA-N	317.370	3.085	10	20	DGCD	
CC(C)[C@H]1CCCN(c2nnc(-c3sccc3O)n2C)C1	1350469554	KZISXOMLJZHHHW-NSHDSACASA-N	306.435	3.122	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[C@H](C)NC1	1579674071	MMVGEBAKVSBBKG-SMDDNHRTSA-N	317.458	3.026	10	20	DGCD	
CN(C[C@@H]1C[C@@H]1c1ccccc1)c1ccc(OCC(=O)O)cc1	1598450004	HQDLTQYFXUXELA-MAUKXSAKSA-N	311.381	3.390	10	20	DGCD	
C[C@H]1CC2(CCC2)CN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1604685396	MYTQWXXUEXNMEO-FUEXJSSKSA-N	316.357	3.462	10	20	DGCD	
CCCN(Cc1ccc(/C=C/C(=O)O)o1)c1ccc(CN)cc1	1605318595	MYDGAOPUNLHSTG-MDZDMXLPSA-N	314.385	3.253	10	20	DGCD	
CC1([C@@H](NCc2cc(F)cc(F)c2O)C(=O)O)CCCCC1	1776514223	MVOUCKBUILCLJK-AWEZNQCLSA-N	313.344	3.184	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@H](C(=O)O)C3(CCCC3)C2)cc1	1776855686	XEGDLHWKGWIDCX-QGZVFWFLSA-N	316.445	3.220	10	20	DGCD	
CN(C)c1ccc(CN2CC(C)(C)CC[C@@H]2CC(=O)O)cc1	1777039364	KCVYZGCUMAETQN-MRXNPFEDSA-N	304.434	3.218	10	20	DGCD	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1SC	49488581	LPSVPKQVCDTZJU-XFFZJAGNSA-N	311.453	3.248	10	20	DGCD	
COc1cccc(CNC(=O)CCc2ccc(C)cc2C)c1O	68488919	WZXVWRPJTXPZGU-UHFFFAOYSA-N	313.397	3.267	10	20	DGCD	
CCOC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)o1	91591505	ZCCWWJPXKDERIF-UHFFFAOYSA-N	307.321	3.240	10	20	DGCD	
Cc1csc(C(C)(C)NCc2cc([N+](=O)[O-])ccc2O)n1	116382789	AONDGTMHRYAPOT-UHFFFAOYSA-N	307.375	3.090	10	20	DGCD	
Cc1noc(C2CC2)c1C(=O)N(C)Cc1ccc(N(C)C)cc1	130972885	YAHDXOCLROMYQC-UHFFFAOYSA-N	313.401	3.199	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccc(F)n1	134288910	MRVPJVXSVLVCAU-UHFFFAOYSA-N	303.337	3.370	10	20	DGCD	
CC(C)C[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1	157872544	BEOKUPLYQOXXBZ-OAHLLOKOSA-N	301.434	3.297	10	20	DGCD	
COc1ccc(N(Cc2ccccc2)Cc2ncnn2C)cc1	176999878	QPMWKZFLWOKLKG-UHFFFAOYSA-N	308.385	3.031	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccccc2O)CCN1C(=O)OC(C)(C)C	219453113	VGUDSNVLLNDVRW-ZFWWWQNUSA-N	320.433	3.270	10	20	DGCD	
CC[C@@H](NC[C@H](O)c1cccc(OC)c1)c1ccccc1O	271689733	KAPLHWMKPCLYFM-AEFFLSMTSA-N	301.386	3.175	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cccnc2F)cc1F	279455758	OJUVYHRFIBBUFX-UHFFFAOYSA-N	319.355	3.136	10	20	DGCD	
Cc1ccc([C@H](C)NC2CCN(c3nccs3)CC2)c(O)c1	281648361	PLQRFDHUNMQLGW-ZDUSSCGKSA-N	317.458	3.477	10	20	DGCD	
CC[C@@H](C)[C@@](C)(O)CNCc1cccc(Br)c1O	304033566	GYJYEMAGRXSAEJ-YGRLFVJLSA-N	316.239	3.041	10	20	DGCD	
COC(C)(C)CN(C)Cc1cc(Br)cc(F)c1O	715798711	XHWODMHZTBEQLG-UHFFFAOYSA-N	320.202	3.151	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=S)NC(C1CC1)C1CC1	734760643	LKEZVORIAAGRBT-UHFFFAOYSA-N	317.502	3.214	10	20	DGCD	
COc1ccccc1[C@H]1CCN(C(=O)c2cc(O)cs2)C1	738554719	IOYXPFDMZJDMDZ-NSHDSACASA-N	303.383	3.092	10	20	DGCD	
CCOc1ccc(CN2CCC(N3CCCCC3)CC2)c(O)c1	768239720	KQQSYBVJCXFJMS-UHFFFAOYSA-N	318.461	3.241	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@H]1C[C@@H](O)c1ccco1	770319738	BGCYEBNKSIWDPJ-XJKSGUPXSA-N	317.385	3.082	10	20	DGCD	
CC1=C(C)CN(C(=O)NCc2ccc(N(C)C)cc2C)CC1	797460478	QUHIJMYUZRQKHN-UHFFFAOYSA-N	301.434	3.313	10	20	DGCD	
CCOc1ccc(CNC[C@H](CO)CC2CCCC2)c(O)c1	798503029	BGRCJZRZKWOHDK-OAHLLOKOSA-N	307.434	3.069	10	20	DGCD	
COc1ccc(O)c(CN[C@H]2Cc3[nH]c4ccccc4c3C2)c1	799719886	CDGVURVHXIPNSJ-CYBMUJFWSA-N	308.381	3.139	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@H](CC)c1cccc(Cl)c1O	806160473	SASKNTTXHBQXFI-QLFBSQMISA-N	313.825	3.280	10	20	DGCD	
COCC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1	807837492	RVIZLOFCOOHYRU-UHFFFAOYSA-N	318.200	3.132	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@@H](C)c1cc(Cl)cc(C)c1O	808682495	RVYZWQWAJPTMNH-RYUDHWBXSA-N	312.841	3.309	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@H](C[C@@H]2CCOC2)C1	809758535	PJIYNRGKYJAHJC-CABCVRRESA-N	305.418	3.039	10	20	DGCD	
CC(C)n1cc(CNCc2cc(Cl)cc(Cl)c2O)nn1	809776080	SQMHMVPMKINLIT-UHFFFAOYSA-N	315.204	3.161	10	20	DGCD	
COCc1cc(NCc2cc(F)ccc2O)cc(C(=O)OC)c1	814174479	BGMHLZXFBZQIQC-UHFFFAOYSA-N	319.332	3.076	10	20	DGCD	
COC[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1O)C1CC1	815598320	ROZNLAMJVIJVNS-RNCFNFMXSA-N	303.324	3.487	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)COCc3ccccn3)cc12	817762223	UKTVTWVFCHGLJN-UHFFFAOYSA-N	324.380	3.312	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC[C@H]3C[C@H]4C=C[C@H]3C4)C2)cc1	818219414	FIUHEMAIYRXHNL-XWTMOSNGSA-N	312.457	3.323	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C/c2ccc(C)nc2)cn1	823430668	RJMFAHFEVKXOEU-CMDGGOBGSA-N	312.417	3.309	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnn1C(F)F	824234805	RYTNWOGTGZDIMQ-UHFFFAOYSA-N	322.359	3.007	10	20	DGCD	
C/C(=C/C(=O)N1CCCc2c(C)cc(C)cc21)c1cnccn1	825652006	AFGHYYNIIUGJBX-PTNGSMBKSA-N	307.397	3.476	10	20	DGCD	
CC1CCC(O)(CNCc2cc(Cl)c(F)cc2O)CC1	827948165	HBAMZYSJOXYYCK-UHFFFAOYSA-N	301.789	3.216	10	20	DGCD	
C[C@@H](NC(=O)OC1CCCC1)c1ccc(N2CCOCC2)cc1	830200896	YLFFVMKZZCUSNZ-CQSZACIVSA-N	318.417	3.253	10	20	DGCD	
CCCOc1ccc2c(c1)CCN(C(=O)Cc1ccc(N)cc1)C2	831421813	QVZADKXNCOIUNA-UHFFFAOYSA-N	324.424	3.185	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1ccc(F)cc1O)Cc1ccccc1	834856023	KFIHBPJMJXCOAT-CZUORRHYSA-N	303.377	3.440	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCO[C@@H](c3nccn3C)C2)c(O)c1	834910960	HADDUTGDVOWPSY-JJRVBVJISA-N	315.417	3.005	10	20	DGCD	
FCCNCc1ccc(N2CCCCC2)c(Br)c1	839070527	LKLZVVUJXUCXAG-UHFFFAOYSA-N	315.230	3.499	10	20	DGCD	
COC1(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCCC1	839921702	LYIHATWJCJIFLD-OAHLLOKOSA-N	318.461	3.067	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)Nc1nnc(C(F)F)o1	840384013	DFBUAWLRKLQBJE-JTQLQIEISA-N	310.348	3.425	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)C1CCN(C)CC1	840894433	RLOWDUFFPRRYIV-SJORKVTESA-N	317.521	3.312	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)Nc1ccccc1	840934337	ONCHKZLDEVTQCZ-OAHLLOKOSA-N	311.429	3.178	10	20	DGCD	
COC(=O)[C@H](CC1CC1)NCc1ccc(N2CCCCC2)cc1	840958725	RLWYNHPRBOKLKM-SFHVURJKSA-N	316.445	3.108	10	20	DGCD	
OC[C@H](CNCc1c(O)cccc1Cl)c1ccc(F)cc1	840963497	OOFWPCNPYRBMGU-LBPRGKRZSA-N	309.768	3.050	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cn2ccccc2n1	840976225	NJEOOCCUVUBCFE-INIZCTEOSA-N	322.456	3.430	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](CO)[C@@H]2C)cc1F	840977883	KWIFZQZREAYEGY-GOEBONIOSA-N	308.441	3.265	10	20	DGCD	
C[C@H]1C[C@@H]1c1noc(-c2csc(Cc3ccc(N)cc3)n2)n1	843189733	CBIAYQJNLOERKX-CABZTGNLSA-N	312.398	3.490	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c1	844973615	LAUMPHONARIBMG-SMDDNHRTSA-N	306.406	3.025	10	20	DGCD	
OC[C@@H](CCF)N[C@H](CCc1ccccc1)c1ccccc1O	846210026	WFFPZWYUZGWFSF-SJLPKXTDSA-N	317.404	3.376	10	20	DGCD	
CC[C@@H](C)n1nc(C(=O)NCc2cc(Cl)ccc2O)cc1C	846473216	KIKJKPGZMXRBGO-SNVBAGLBSA-N	321.808	3.452	10	20	DGCD	
COc1cccc(O)c1CNCCc1cn(C)c2ccccc12	850380220	QSCUZQNJPIJHLD-UHFFFAOYSA-N	310.397	3.225	10	20	DGCD	
C[C@@H]1CCN(Cc2c(O)cccc2Br)CCS1	862346010	JSVZDLIFJRJOCD-SNVBAGLBSA-N	316.264	3.482	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCCN2C2CCCC2)c1	862756959	BVIBXBLTRGBLGE-KRWDZBQOSA-N	316.445	3.114	10	20	DGCD	
Cc1nocc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	864638244	VSRSXFNDXBYCQX-UHFFFAOYSA-N	313.401	3.246	10	20	DGCD	
Cc1nocc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	865603323	DZDAEDPHELRPBE-UHFFFAOYSA-N	313.401	3.149	10	20	DGCD	
CCc1ccc(CS(=O)(=O)N[C@H](C)c2ccccc2O)cc1	867834479	JEQKIHHBDMXFML-CYBMUJFWSA-N	319.426	3.135	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC[C@H]3C3CC3)cc2)CC1	876690456	VTLLIFLSWRWSCS-IBGZPJMESA-N	300.446	3.022	10	20	DGCD	
Cc1cc(N2CCOCC2)ccc1NCc1c(C)cccc1O	876818258	OOQWNGCFEOQHEX-UHFFFAOYSA-N	312.413	3.458	10	20	DGCD	
COC(=O)C(C)(C)[C@@H]1CCCN(Cc2ccc(C)cc2O)C1	877173972	NCFKMYYAZWTAAZ-OAHLLOKOSA-N	305.418	3.112	10	20	DGCD	
CCOc1ccc(NC(=O)CN[C@H](C)c2ccccc2O)cc1	879648424	OHSDMICYIQWESK-CYBMUJFWSA-N	314.385	3.080	10	20	DGCD	
CC[C@H](N[C@@H](CO)C[C@@H]1CCCO1)c1cc(Cl)ccc1O	886669603	BBOOXUVWNSAPSZ-IPYPFGDCSA-N	313.825	3.016	10	20	DGCD	
C[C@@H](NC(=O)NCC(C)(C)C1CCOCC1)c1ccccc1O	897027587	MLRGPDIEZFBTGU-CYBMUJFWSA-N	320.433	3.205	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1oc(C(=O)O)cc1C	911323742	NNAHTESZZUOENW-UHFFFAOYSA-N	317.341	3.044	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1c(F)cccc1F	1344042968	SLYXZBCXZKXMIK-UHFFFAOYSA-N	309.659	3.407	10	20	DGCD	
CC(C)(C)Cc1ncc(C(=O)NCc2cccc(O)c2O)s1	1521851289	JMJPXKSRMWWLST-UHFFFAOYSA-N	320.414	3.073	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)[C@H]2CC=CCC2)cc1	1776860502	MBRHGXQHFKKGOU-FUHWJXTLSA-N	316.445	3.432	10	20	DGCD	
CCOc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1	60678564	RXIYXKNFMGULPH-UHFFFAOYSA-N	312.413	3.424	10	20	DGCD	
Cc1ccccc1CN(C)Cc1ccc(N2CCOCC2)cc1	72953296	LSWRUNCOXQRTIX-UHFFFAOYSA-N	310.441	3.464	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cccc4[nH]ccc34)ccc21	81617149	BRIKWGQMHKUZJQ-UHFFFAOYSA-N	319.408	3.480	10	20	DGCD	
CCOc1cccc(CN(C)Cc2cccc(N(C)C)c2)c1O	93845680	PPZKBNRAMTTWMJ-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)c1	103530460	PVUMGILHKJYZGW-OLZOCXBDSA-N	315.369	3.046	10	20	DGCD	
Cc1cc(C)c(NC(=O)NCCc2ccc(O)c(O)c2)c(C)c1	128441482	YJNMOWOTXNIJSV-UHFFFAOYSA-N	314.385	3.387	10	20	DGCD	
COCCCOC1CCN(Cc2c(O)cccc2Cl)CC1	129111472	HVHLZWJCRYEYJR-UHFFFAOYSA-N	313.825	3.063	10	20	DGCD	
CC[C@@H](NCCC(=O)NCc1ccccc1)c1ccccc1O	155504684	AALQHJLBAJVWGX-QGZVFWFLSA-N	312.413	3.139	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cccc(Cl)c2F)c1	159765577	IZJCAPVLFMMILI-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
COc1cc(CN(C)Cc2cc(Cl)cn2C)c(O)cc1C	160392844	NCDXZGATFUMUTK-UHFFFAOYSA-N	308.809	3.333	10	20	DGCD	
O=C1/C(=C/c2cccc(F)c2)SC(=S)N1Cc1ccon1	178018500	XAYXXDQNGYZHHB-GHXNOFRVSA-N	320.370	3.215	10	20	DGCD	
CCOC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1	179194825	KYVMXMMOINUEBQ-OAHLLOKOSA-N	304.434	3.060	10	20	DGCD	
COC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCCC1	184991920	HJVNCHQFCYLGMD-UHFFFAOYSA-N	317.429	3.237	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1CCN(C)c2cc(F)ccc21	186617832	VAABWBPXEAHDNJ-AATRIKPKSA-N	317.389	3.087	10	20	DGCD	
COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(F)c(F)c1O	191212958	PYANCCHYUOZAHV-IINYFYTJSA-N	323.339	3.063	10	20	DGCD	
CC[C@@H](NCCNC(=O)c1ccc(C)cc1)c1ccccc1O	193911807	GJZYSXLPRHYIEC-QGZVFWFLSA-N	312.413	3.171	10	20	DGCD	
Cc1noc(C2CCN(Cc3c(O)cccc3Cl)CC2)n1	271088878	FNSBPYCSUZLGCO-UHFFFAOYSA-N	307.781	3.117	10	20	DGCD	
Cc1cccc(C(=O)NCCN[C@@H](C)c2cc(C)ccc2O)c1	273418002	RHUIQCZAPVKHAQ-HNNXBMFYSA-N	312.413	3.090	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2ccc3c(c2)CCO3)c1	273547808	ZQZFEVKSVQXDEQ-NSHDSACASA-N	313.353	3.287	10	20	DGCD	
CC[C@H](N[C@H](C)c1ccc(F)c(F)c1O)[C@@H](O)C(F)(F)F	276912643	LANINZNLCJTYNB-PUQNFTFYSA-N	313.266	3.023	10	20	DGCD	
CC[C@](C)(CNCc1ccc(N2CCCCC2)cc1)C(=O)O	277998121	NYLBVDWSEZISOF-GOSISDBHSA-N	304.434	3.267	10	20	DGCD	
CCCCN(Cc1cn(C(C)C)nn1)Cc1ccccc1O	289840408	UUFGRNGCOJXIFQ-UHFFFAOYSA-N	302.422	3.367	10	20	DGCD	
CCOCc1cc(CNC[C@@](C)(OC)C2CC2)ccc1OC	291067010	QNHJCOKRKMWDBQ-GOSISDBHSA-N	307.434	3.136	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)c2ccccc2)cc1	320301018	SPWJNUPAJQZKSI-SFHVURJKSA-N	312.413	3.448	10	20	DGCD	
Cc1nc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2)no1	371404285	KUTNQRVXAPMFNX-INIZCTEOSA-N	300.406	3.171	10	20	DGCD	
CN(CCCc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1	588406279	DEMZUVPZDYKOHV-BENRWUELSA-N	311.381	3.202	10	20	DGCD	
CCOc1ccccc1N(C)C(=O)/C=C\c1ccc(O)c(O)c1	588408623	PWQZHMXPBXNETD-LUAWRHEFSA-N	313.353	3.173	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NC[C@@H]3CC=CCC3)ccc21	726244539	INPXRCTVKLURFC-OAHLLOKOSA-N	313.445	3.225	10	20	DGCD	
C[C@@H](NC1CCN(CC(F)F)CC1)c1cc(F)cc(F)c1O	756503149	LFZXZRNHJMYVJK-SECBINFHSA-N	320.330	3.051	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCOC3(CCOCC3)C2)c1	756765478	OSTFVSLNOACGPW-HUUCEWRRSA-N	305.418	3.079	10	20	DGCD	
COc1ccc(C)cc1COC(=O)/C=C\c1ccc(O)c(O)c1	759591265	GKNKBRDXZVFWCC-YVMONPNESA-N	314.337	3.171	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1c1ccccc1)[C@H](O)CO2	768441434	LNUKAKRRNSFNSB-SJLPKXTDSA-N	311.381	3.155	10	20	DGCD	
C[C@@H](NC(=O)COCc1ccccc1)c1ccc(N(C)C)cc1	773017252	DIDKRQDWKFPDFH-OAHLLOKOSA-N	312.413	3.147	10	20	DGCD	
C[C@H](NC[C@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1	774378366	LINGGLIVGLNXNT-HNAYVOBHSA-N	301.478	3.420	10	20	DGCD	
C[C@H](NC(=O)c1ccnc(Cl)c1F)c1ccc(N(C)C)cc1	775412523	YLQIXHFHLHLBHJ-JTQLQIEISA-N	321.783	3.431	10	20	DGCD	
CC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1O	775499347	BWKLQXIHKAWVCX-JSGCOSHPSA-N	320.824	3.001	10	20	DGCD	
O=C(OCc1cc(-c2cccs2)on1)c1cccc(O)c1O	776282494	SEFJJMVUQPOIKF-UHFFFAOYSA-N	317.322	3.171	10	20	DGCD	
CCOCc1cc(CN[C@@H]2[C@H](C)[C@H](OC)C2(C)C)ccc1OC	776498523	NJECHLZOUFWXLY-VHSSKADRSA-N	321.461	3.381	10	20	DGCD	
C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc2c(cc1O)OCO2	780791964	DMDWHDPCIYZJJD-GXSJLCMTSA-N	317.307	3.284	10	20	DGCD	
CC[C@H](Nc1ccc(OCC(N)=O)cc1)c1ccc(C)cc1O	794819525	ZMYBCMAPPPXGAS-INIZCTEOSA-N	314.385	3.128	10	20	DGCD	
CNC(=O)[C@@]1(C)CCN(Cc2cc(-c3ccccc3)ccc2O)C1	797604869	JUEBBUKZYOUCDJ-FQEVSTJZSA-N	324.424	3.017	10	20	DGCD	
C[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1	798420245	MTWBNPOLJQOLCL-WBVHZDCISA-N	313.445	3.298	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNc1ccc(C2(O)COC2)cc1	809781461	SHCKPDRIVRYGTN-UHFFFAOYSA-N	323.751	3.015	10	20	DGCD	
CSC1(CN[C@H](C)c2ccc(F)cc2O)CCN(C)CC1	810252272	MWPCSTKFGPUWIL-GFCCVEGCSA-N	312.454	3.009	10	20	DGCD	
CCn1c(CC2CCCC2)nnc1N(C)Cc1ccccc1O	812035659	LJEFVNMEZPUGJN-UHFFFAOYSA-N	314.433	3.373	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@H](CN)C1)c1cccc(C(F)(F)F)c1O	817981214	HFFVWXZZIIRSRZ-GARJFASQSA-N	302.340	3.189	10	20	DGCD	
CCC[C@H](C)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	822580162	QXBYJLAZPYHJQZ-LSDHHAIUSA-N	319.449	3.009	10	20	DGCD	
Fc1cnccc1CNCc1ccc(N2CCSCC2)cc1	823670958	GKEXRHDNWRDGGQ-UHFFFAOYSA-N	317.433	3.064	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC(C)(C)C2(O)CCCC2)c1	825239700	COONOTDXHBZFOK-CYBMUJFWSA-N	307.434	3.383	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC12CCSCC2	825873216	IAEWWBGKFNGBJB-INIZCTEOSA-N	318.486	3.211	10	20	DGCD	
Cc1cc(CN2CCC(CO)CC2)ccc1N1CCCCC1	827411185	LFHHNMXAKJJGBS-UHFFFAOYSA-N	302.462	3.190	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cc(Cl)ccc1O	827750344	DZVACLNHLBGYIV-ZBFHGGJFSA-N	311.809	3.257	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCCC[C@H]1c1noc(C2CC2)n1	828290744	JMBKKTNMKFIFIC-NSHDSACASA-N	319.386	3.082	10	20	DGCD	
COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Cc1ccc(N)cc1	831982220	JMNFAWVQOOEKKI-MRXNPFEDSA-N	324.424	3.056	10	20	DGCD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NCCCSc1nccs1	838513681	KLNZSXKIMNVPJM-RYUDHWBXSA-N	313.492	3.217	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CN1C[C@H](C)[C@H](C)C1=O	839969692	LTGUHWGPDUAFAO-HOTGVXAUSA-N	317.477	3.035	10	20	DGCD	
C[C@@H]1C[C@H](NCC[C@@H]2CCCN(C)C2)c2c(O)ccc(F)c21	840811204	ZOPXSFSWUFGXLH-IPYPFGDCSA-N	306.425	3.401	10	20	DGCD	
CCN(CC)c1ccc(CN2CCNC[C@@H]2c2ccncc2)cc1	843120590	QPCPTROMPHOKLV-HXUWFJFHSA-N	324.472	3.074	10	20	DGCD	
CCNCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	843483557	DPJJDGLBKVSWIR-OAHLLOKOSA-N	312.413	3.092	10	20	DGCD	
CCOc1ccc(CN[C@@H]2COc3cc(F)ccc3C2)c(O)c1	850382159	OQXDXHVUKXOEQT-HNNXBMFYSA-N	317.360	3.023	10	20	DGCD	
CC1(C)CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	850568330	VOPQYNXKPHDNMP-INIZCTEOSA-N	302.462	3.316	10	20	DGCD	
C[C@]1(CNCc2ccc(N3CCC(O)CC3)cc2)CCCS1	862417941	IZOGAUHSRWFXBQ-GOSISDBHSA-N	320.502	3.023	10	20	DGCD	
COc1cc(CNC(=O)NCc2cc(C)ccc2O)ccc1C	875141167	MOUQMEJHFQZJTC-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
Cc1ccc(CNc2cccc(N3CCCNC3=O)c2)c(O)c1	876869353	SCJMRMWOJBECOM-UHFFFAOYSA-N	311.385	3.232	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N(C)C1CCCCC1	879648777	DGYJYGCCIPXEHB-KGLIPLIRSA-N	304.434	3.222	10	20	DGCD	
COc1ccc(CNC2(C)CCC(F)(F)CC2)c(O)c1OC	893514380	CCDVTBMHZLVHKT-UHFFFAOYSA-N	315.360	3.467	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC[C@@]2(C1)OCc1ccccc12	894480887	RIIZBOXJTOJWFQ-SFHVURJKSA-N	317.335	3.302	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1cccc2c1OCC2	899341989	OENJKIFJXYCOBO-SDNWHVSQSA-N	314.410	3.078	10	20	DGCD	
CCN(CC)c1ccc(CN(CC(=O)O)CC(C)C)cc1F	901588855	IZHPLHPGIOPYPA-UHFFFAOYSA-N	310.413	3.215	10	20	DGCD	
C[C@H](NCCO[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1	927086362	SOOVEEIXCSASSL-LPHOPBHVSA-N	318.461	3.133	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc3c(c2)CCC3)cc1	1261370833	WBNKSXBJEDZJDP-HXUWFJFHSA-N	309.457	3.031	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@H](N2CCCC2)C1	1319933534	VDRNKBXEKVBQHN-FQEVSTJZSA-N	313.489	3.347	10	20	DGCD	
C[C@H](OC(C)(C)C)c1nnc(N(C)Cc2ccccc2O)n1C	1355486281	YQTNQNPRIDTQJJ-LBPRGKRZSA-N	318.421	3.033	10	20	DGCD	
C[C@]1(C(=O)O)CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1	1776501777	ONDYJCOLBYICKM-HZMBPMFUSA-N	318.200	3.432	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)NCc1ccc(C)cc1	27579266	CLHQPXHBIUIXLH-UHFFFAOYSA-N	324.424	3.073	10	20	DGCD	
COc1ccccc1NCc1ccc(N2CCC(O)CC2)cc1	76275522	MKDASBTYUQMYMI-UHFFFAOYSA-N	312.413	3.268	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1cccs1	115281941	SFMZOEVQWXYAAO-CMDGGOBGSA-N	300.427	3.452	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)cn1	122457424	WSRARRVXMMGSTJ-UHFFFAOYSA-N	315.348	3.127	10	20	DGCD	
CCc1ccccc1NC(=O)NCCc1ccc(O)c(O)c1	128582878	QZDBXFSCPWJREH-UHFFFAOYSA-N	300.358	3.024	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@@H](C)c2ncon2)c1	155457430	NYJLJOYKKBGTRR-AWEZNQCLSA-N	324.384	3.277	10	20	DGCD	
C[C@@H](N[C@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1	159649820	JOPITBZAADKEMX-HIFRSBDPSA-N	324.465	3.209	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@H]1C	175842310	JOSFSOIDAKIMDN-CABZTGNLSA-N	312.207	3.159	10	20	DGCD	
C[C@H](NCc1cccc(OCCN(C)C)c1)c1ccccc1O	183428197	JEXOARGVIMXXMW-HNNXBMFYSA-N	314.429	3.183	10	20	DGCD	
Cc1cccc(OC[C@@H](O)CN[C@H](C)c2ccc(C)cc2O)c1	185129833	VXDPZPWAFMSLNX-CVEARBPZSA-N	315.413	3.100	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](CCN(C)C)C(C)(C)C)c1	185471921	KFZVRNIXLPBTBC-SUMWQHHRSA-N	308.466	3.418	10	20	DGCD	
CC[C@@H](NCCc1ccc2c(c1)OCCO2)c1ccccc1O	192873306	CZTRUBARNKFUCP-MRXNPFEDSA-N	313.397	3.447	10	20	DGCD	
C[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1O	192916067	TUFZVDSMJOJPJR-HOCLYGCPSA-N	300.402	3.473	10	20	DGCD	
CC1(c2ccccc2)CCN(C(=O)c2cccc(O)c2O)CC1	193146865	KACLDTSGMRQUOU-UHFFFAOYSA-N	311.381	3.292	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@H](C(=O)OC)C1)c1ccc(N(C)C)cc1	193872880	QQARPJZEURKFJQ-UXLLHSPISA-N	304.434	3.135	10	20	DGCD	
Cc1cccc(C)c1NC1=NC(=O)/C(=C/c2cnn(C)c2)S1	210958028	YPMVJONAKBKHCZ-QPEQYQDCSA-N	312.398	3.119	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCNC(=O)OC(C)(C)C	230660213	LKXOVHJNZNNSKR-STQMWFEESA-N	320.433	3.363	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCCc2cc(F)cc(F)c21	254994704	QSSNFTRRHAGIBN-ARJAWSKDSA-N	318.298	3.492	10	20	DGCD	
Oc1c(F)cccc1CN1CCC[C@@H](c2noc(C3CC3)n2)C1	272511148	XADLUBGVOWFLJF-CYBMUJFWSA-N	317.364	3.171	10	20	DGCD	
COc1ccc(O)c(CN[C@H](CCO)c2ccc(Cl)cc2)c1	290114890	ILNKAEPUCPBFNX-MRXNPFEDSA-N	321.804	3.268	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(OCC)no1	296140050	SRXFLBGKRDHTTP-UHFFFAOYSA-N	318.373	3.221	10	20	DGCD	
C[C@@H](c1ccc(F)cc1O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1	296587637	UTSHJXTWWGWKMO-STQMWFEESA-N	322.424	3.206	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC([C@@H]3CCCN3)CC2)c1O	317473385	CRFLJXRCKQXYSG-HNNXBMFYSA-N	324.852	3.018	10	20	DGCD	
C[C@@H]1Cc2ccccc2N(C(=O)c2cccc3c2CCNC3)C1	391411133	OXSGIJWEAYNWBC-CQSZACIVSA-N	306.409	3.171	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cc(Br)ccc2O)CS1	397924542	JIRFADWGGOSVKI-LDYMZIIASA-N	302.237	3.138	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(Cl)cc1	588403566	QFFWLRIBDNKYBP-YWEYNIOJSA-N	303.745	3.081	10	20	DGCD	
Cn1cc(CCNCc2cc(-c3ccccc3)ccc2O)cn1	725848135	VZHNIDZTLRQSJB-UHFFFAOYSA-N	307.397	3.125	10	20	DGCD	
Cc1cn(-c2ccccc2)nc1NC(=O)NCc1ccccc1O	730126182	SUINBKAFOITZJS-UHFFFAOYSA-N	322.368	3.208	10	20	DGCD	
C[C@H](CNC(=O)c1cc(O)cs1)Oc1ccc(Cl)cc1	743759599	IPJUKGVAXHCQFI-SECBINFHSA-N	311.790	3.304	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(F)c(F)c2)c1	756459812	XNHLUGRTQHCALG-SNVBAGLBSA-N	321.323	3.308	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2cnccc2C)c1	756675958	JHBFXPRCHGSITI-QWHCGFSZSA-N	314.385	3.294	10	20	DGCD	
CC(C)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768449286	ZABGVBPIQVSICB-SUMWQHHRSA-N	305.418	3.076	10	20	DGCD	
C[C@H](N1CCN(Cc2c(O)cccc2Cl)CC1)C(F)(F)F	769554308	NFVGKFQXTRFWFI-JTQLQIEISA-N	322.758	3.114	10	20	DGCD	
CCCOC(=O)[C@@H](C)N(Cc1ccc(N(C)C)cc1)C(C)C	771790440	CFVNAIBOSCOCLB-OAHLLOKOSA-N	306.450	3.305	10	20	DGCD	
CS[C@H](C)CCC(=O)NCCCSc1nccs1	773382968	MEEBEDZPPIHEDB-SNVBAGLBSA-N	304.506	3.273	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@@H](C)O1	773623372	HUTYISRCBOIGKP-JKIFEVAISA-N	319.449	3.023	10	20	DGCD	
CCN(C)c1ccc(CN2CCO[C@H](c3ccco3)C2)cc1	773765805	NNNAZBRTMNHRIS-SFHVURJKSA-N	300.402	3.309	10	20	DGCD	
Cc1cccc(CNCc2ccc(C(=O)N3CCCC3)cc2)c1O	775769035	YLFDROAOSWLKGD-UHFFFAOYSA-N	324.424	3.226	10	20	DGCD	
CC(C)[C@H](NCc1cc(F)ccc1O)[C@H](O)c1ccccc1	789778216	GNZDGCZSYGOTEJ-ZWKOTPCHSA-N	303.377	3.379	10	20	DGCD	
COc1ccc(NC(=O)c2cccc(O)c2O)cc1OC(C)C	790931321	NVARJOILKHCXFM-UHFFFAOYSA-N	317.341	3.146	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c(O)c1	792954535	LCGLZRFPYGJGJP-IMRBUKKESA-N	306.406	3.025	10	20	DGCD	
COc1ccc(N2CCN(CCSC(C)(C)C)CC2)cc1	801911216	VTSZGWDIIJOPEF-UHFFFAOYSA-N	308.491	3.349	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CCc3c[nH]nc3C2)c1O	808701792	IRFJNAOPXYMFIN-ZWNOBZJWSA-N	305.809	3.285	10	20	DGCD	
CC[C@@H](CO)N(Cc1ccccc1)Cc1cc(OC)ccc1O	809642310	DSUYQZZRPVXVAP-KRWDZBQOSA-N	315.413	3.174	10	20	DGCD	
Cc1ccc(O)c(CN(CCN(C)C)Cc2ccc(F)cc2)c1	809736005	CDRMCRDDNRGBQN-UHFFFAOYSA-N	316.420	3.404	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1	811790532	NCQJNAGBMYWQPW-MOPGFXCFSA-N	324.424	3.474	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2nc(C)oc2C)cc1	814311088	HSAQVJZEUZLWOB-UHFFFAOYSA-N	301.390	3.068	10	20	DGCD	
OC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)c2ccccc21	816637304	ZGKZIMIZTFUMRJ-SNVBAGLBSA-N	307.752	3.281	10	20	DGCD	
O=C(NCc1ccccc1O)c1nc(Cl)sc1Cl	816912142	LDTSTQFEEKHAHS-UHFFFAOYSA-N	303.170	3.086	10	20	DGCD	
CCCCCNC(=O)c1csc(Cc2ccc(N)cc2)n1	817902962	CNFYAVBMUMXMTI-UHFFFAOYSA-N	303.431	3.236	10	20	DGCD	
CC[C@H](NCc1ccc(OCc2ccccc2)cc1O)[C@H](C)O	824922235	YJCAYKQJYYWYDK-KSSFIOAISA-N	315.413	3.220	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](c3nccn3C)C2)cc1Cl	825715916	JREYYBQVBDNLIJ-ZDUSSCGKSA-N	319.836	3.467	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2[C@H]3CC[C@H]2COC3)c1	838096728	QTPLNECIKPOZEN-IRXDYDNUSA-N	324.424	3.406	10	20	DGCD	
CCCSCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839920026	ZRNJNOVOOGFFOA-AWEZNQCLSA-N	308.491	3.251	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCn1cnc2ccccc21	840930044	HJQZUILIABPTAS-UHFFFAOYSA-N	308.429	3.201	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CCN1	841064096	XWHDGOOFQMVIOA-YPMHNXCESA-N	315.383	3.002	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(Cl)cc1O	841750439	XGYZLVJOEJFRKT-NHYWBVRUSA-N	321.804	3.438	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1N	843053697	RERHFNABBUBCHQ-PKOBYXMFSA-N	301.478	3.236	10	20	DGCD	
C[C@@H]1CC2(CCOCC2)CN1Cc1ccc(N(C)C)c(F)c1	843431542	GXTDZPNTSKJQHY-CQSZACIVSA-N	306.425	3.283	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](c2ccccc2)N(C)C)c1O	846135133	BJKMDNGNDKUQPH-YOEHRIQHSA-N	314.429	3.354	10	20	DGCD	
CCc1nc(CCN[C@@H](C)c2cccc(OC)c2O)cs1	846145207	MFXYNOOBSAGSHB-NSHDSACASA-N	306.431	3.313	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2CCCc3nc(C)ncc32)c1O	846146923	SWYNDLIWUMWJJY-NHYWBVRUSA-N	313.401	3.227	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](C(=O)O)C2)ccc1N1CCCCC1	846261820	UHNUMCPHQURNOQ-QGZVFWFLSA-N	316.445	3.282	10	20	DGCD	
CCc1cccc(CN2CCOC[C@@H]2c2ccc(C)o2)c1O	848887354	UMAYNOVFSPRAIB-MRXNPFEDSA-N	301.386	3.430	10	20	DGCD	
C[C@H](NC[C@H](C)CC1(C)OCCO1)c1cc(F)cc(F)c1O	866425261	KQZQORZATNWFNM-MNOVXSKESA-N	315.360	3.110	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](C)CC2(C)OCCO2)cc1Cl	877670413	PAMODZAEZRGBSD-NSHDSACASA-N	313.825	3.233	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H](CCO)C(F)(F)F)c1O	886804167	SYISSZRDXYLSGF-KCJUWKMLSA-N	311.731	3.318	10	20	DGCD	
COc1ccc(CN2CC=C(C(F)(F)F)CC2)c(O)c1OC	892105910	QZUCRYBTLVLCEL-UHFFFAOYSA-N	317.307	3.104	10	20	DGCD	
COc1ccc(CNCc2ccc(C)c(F)c2)c(O)c1OC	892473534	NUXIUUDWKPULSY-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
COc1ccc(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1OC	893255515	JUDJLKODIVGYAJ-HIFRSBDPSA-N	323.433	3.093	10	20	DGCD	
Cc1cc(C(=O)N2CCC=C(Cl)C2)c(C)n1-c1ccccn1	898191390	LLWWYGVIZPYDAU-UHFFFAOYSA-N	315.804	3.458	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cnc2c(c1)c(C)nn2C	917077356	JYIYGXDWRUKDAR-UHFFFAOYSA-N	322.412	3.238	10	20	DGCD	
Oc1cc2c(cc1CN1CCCc3c(F)cc(F)cc31)OCO2	917472013	MMKROELVQWSDNZ-UHFFFAOYSA-N	319.307	3.352	10	20	DGCD	
Cc1ccc2c(c1)SCCCN2C(=O)/C=C/c1cn(C)cn1	936039354	KNLXPAQNBARNFM-FNORWQNLSA-N	313.426	3.271	10	20	DGCD	
COc1cc(CN2CC[C@](O)(C3CC3)C2)c(O)c(C(C)(C)C)c1	1330803144	AIFOFGGOHBATBE-LJQANCHMSA-N	319.445	3.045	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@H]1C[C@H](C)c2c(C)ccc(O)c21	1337785088	JMAYVYPTIRABPG-XHSDSOJGSA-N	320.477	3.195	10	20	DGCD	
COc1ccccc1C(=O)Nc1c(Cl)ccc2nonc12	1339436966	BWQWNHLSMITNPU-UHFFFAOYSA-N	303.705	3.137	10	20	DGCD	
Cc1ccc(-n2c(C)cc(C(=O)NCCc3cc[nH]n3)c2C)cc1	1548790841	ONAXBMOCDHDBKB-UHFFFAOYSA-N	322.412	3.098	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCC[C@H]1CCCNCC1	1580887734	GKFSWVWBTSHOIN-KRWDZBQOSA-N	301.478	3.156	10	20	DGCD	
CC(C)[C@H]1OCCC[C@@H]1CN[C@@H](C)c1cc(C(=O)O)ccc1O	1604336874	BZVALEPQRXNSKY-DXCKQFNASA-N	321.417	3.192	10	20	DGCD	
CC(C)=CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	73627390	OGLCEZVVWCBBSK-GOSISDBHSA-N	316.445	3.226	10	20	DGCD	
COc1ccc([C@@H](CO)N(C)Cc2cc(C)c(C)cc2O)cc1	93415463	HCOKZZMAFAKCNA-GOSISDBHSA-N	315.413	3.183	10	20	DGCD	
Cc1cc(C(=O)NC(C)(C)CO)c(C)n1-c1cccc(Cl)c1	124871950	IWRNCTDSNZZKDV-UHFFFAOYSA-N	320.820	3.248	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1C)c1ccc(N2CCCCC2)cc1	154507125	UEEFAXXTFZTOBU-QFBILLFUSA-N	301.478	3.422	10	20	DGCD	
C[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccncc1	154928227	YHZMCRWKLSIKFN-AWEZNQCLSA-N	324.424	3.476	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H](C)[C@@H]3CCOC3)cc2)CC1	157497465	OGBBHVMRNPCBHD-FUHWJXTLSA-N	302.462	3.438	10	20	DGCD	
C[C@@H](c1ccccc1)N(CC(=O)N(C)C)Cc1ccccc1O	176679229	RTJPLXNPYKCZJX-HNNXBMFYSA-N	312.413	3.044	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@@H](C)c2cc(F)ccc2O)c1	185177713	KURPUGOVVSJWJP-LBPRGKRZSA-N	316.376	3.132	10	20	DGCD	
COCC[C@@](C)(O)CN[C@@H](C)c1cc(Cl)c(Cl)cc1O	192871825	IPGWHEZEPPLAFU-LKFCYVNXSA-N	322.232	3.137	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cc(F)ccc1O	248499028	MMCDUNGKCRKZNA-PSVSLLHZSA-N	307.340	3.443	10	20	DGCD	
Cc1ccnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1	268314218	KYRMECRCIIGMHD-UHFFFAOYSA-N	315.392	3.102	10	20	DGCD	
C[C@H](NCC1CCSCC1)c1ccc(N2CCOCC2)cc1	268880195	LJFHGDSJJSMFLZ-HNNXBMFYSA-N	320.502	3.317	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(CO)CC1	269526931	HZEHUMMMKBJZFV-UHFFFAOYSA-N	318.442	3.000	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	269896292	DNGCHOZMEINEGH-IPMKNSEASA-N	312.457	3.334	10	20	DGCD	
CC[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1O	274799403	URMPZYJYPDVMBH-CQSZACIVSA-N	311.385	3.146	10	20	DGCD	
C[C@@H](C(=O)O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1	277111755	AMEQYAAGHVEIRD-FZKQIMNGSA-N	311.381	3.173	10	20	DGCD	
CCOC(=O)N1CCC(N[C@@H](CC)c2ccc(F)cc2O)CC1	285820297	WHPYLQAWDJJBJP-HNNXBMFYSA-N	324.396	3.193	10	20	DGCD	
CC[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccccc1O	295105750	KZIZMQCHZODWBQ-DOTOQJQBSA-N	303.377	3.176	10	20	DGCD	
C[C@@]1(CNCc2ccccc2O)CCN(Cc2ccccc2)C1	309702076	GMWKUDZUZGXKLJ-FQEVSTJZSA-N	310.441	3.394	10	20	DGCD	
CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1OCC	320599519	ZVVVCZUNHXOGIY-UHFFFAOYSA-N	314.385	3.247	10	20	DGCD	
CSC1(CNC(=O)NCc2c(C)c3ccccc3n2C)CC1	350064415	APTXGSDSTLFEOX-UHFFFAOYSA-N	317.458	3.182	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@H](C)c1ccc(C)c(C)c1O)C2	363870554	XSUZVUGLSXWQGQ-CJNGLKHVSA-N	311.429	3.316	10	20	DGCD	
CC(C)(COCc1ccccc1)NC(=O)Nc1ccc(N)cc1	390043801	GJPUODPTWCZKDH-UHFFFAOYSA-N	313.401	3.386	10	20	DGCD	
C[C@]1(NCc2cc(F)ccc2O)CCN(Cc2ccccc2)C1	405951846	GQTLUUYFMZNTCZ-IBGZPJMESA-N	314.404	3.286	10	20	DGCD	
Cc1c(CNC(=O)Nc2cncc(F)c2)n(C)c2ccccc12	439628527	LVDAVPABQDPQRY-UHFFFAOYSA-N	312.348	3.343	10	20	DGCD	
COc1cc2c(c(OC)c1)N(C(=O)/C=C/c1cccnc1)CCC2	493594607	ZUQUCYRWKSTIGA-BQYQJAHWSA-N	324.380	3.091	10	20	DGCD	
COC(=O)Cc1cccc(NCc2c(C)c3ccccc3n2C)n1	588327605	NWXBFALBVMWUHM-UHFFFAOYSA-N	323.396	3.209	10	20	DGCD	
OCCCCCNCc1cc(Cl)cc(Br)c1O	708098065	CWFYDIBJUCMUQD-UHFFFAOYSA-N	322.630	3.060	10	20	DGCD	
Cc1cc(C(=O)COC(=O)c2cc(O)cs2)c(C)n1C1CC1	731910980	YEQKUGLUPUUPQI-UHFFFAOYSA-N	319.382	3.247	10	20	DGCD	
C[C@H]1CCC[C@@](CNCc2ccc(N(C)C)c(F)c2)(N(C)C)C1	733325815	YOMMPPHEWJDVPK-HNAYVOBHSA-N	321.484	3.492	10	20	DGCD	
CCO[C@@H](C)c1nc(COC(=O)c2cc(O)cs2)cs1	736824415	JCQCNNCUPIIDDD-QMMMGPOBSA-N	313.400	3.365	10	20	DGCD	
CCCCn1ncc(NC(=O)NCc2ccccc2O)c1C	746141790	KCIUEMXTKWCLPE-UHFFFAOYSA-N	302.378	3.019	10	20	DGCD	
C[C@@H]1C[C@@H](NCCCOC2CCOCC2)c2c(O)ccc(F)c21	756734787	ZNWOCXMHIKFWDK-IUODEOHRSA-N	323.408	3.255	10	20	DGCD	
Cc1cccc(NCCN[C@@H](C)c2cc(F)cc(F)c2O)n1	756744916	DPYDEROKZZCACE-NSHDSACASA-N	307.344	3.137	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCO[C@@]3(CCOC3)C2)c2c(O)ccc(F)c21	756783446	YWNAAJKEUBBBMM-QDTBLXIISA-N	321.392	3.007	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1F	757851029	BKRIPFPZZZRIPY-DVOMOZLQSA-N	322.424	3.211	10	20	DGCD	
CCOC(=O)/C(=C/c1cnc(C(C)C)s1)c1nccn1C	758428657	FLZXHIRDPSHYGM-XYOKQWHBSA-N	305.403	3.104	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccnc(C(C)(C)C)n1	762799781	AMBIKHVPHZSCCW-NSHDSACASA-N	301.390	3.228	10	20	DGCD	
Oc1cccc2c1C[C@@H](NCc1cc(Cl)cc(F)c1O)C2	763477180	DPTVJZBCAPFPBI-LBPRGKRZSA-N	307.752	3.147	10	20	DGCD	
CCc1cccnc1C(=O)NCc1c(O)ccc2c1CCCC2	767085608	BKZJJDDPWPMQOH-UHFFFAOYSA-N	310.397	3.158	10	20	DGCD	
CCC[C@H](C)[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768464121	ZYSOYWKFQHXDMQ-MJEQTWJJSA-N	305.418	3.219	10	20	DGCD	
C[C@H](NCCc1cnccn1)c1cc(Cl)c(Cl)cc1O	774271366	IZOFBMJBOQIQCC-VIFPVBQESA-N	312.200	3.382	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H](OC)C(F)(F)F)cc1	777007436	MMMQDERJPJWJEO-BXUZGUMPSA-N	304.356	3.371	10	20	DGCD	
CC[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C	777499356	CSNHTPXEXLCVSP-GFCCVEGCSA-N	317.788	3.395	10	20	DGCD	
CCc1[nH]ccc1C(=O)NCc1ccc(N(CC)CC)c(F)c1	796307252	IUNSCDJFRGUTOY-UHFFFAOYSA-N	317.408	3.492	10	20	DGCD	
CC[C@@H](NC[C@@H]1CSCCS1)c1ccc(F)cc1O	796792328	GSNGEZHYDYMVES-DGCLKSJQSA-N	301.452	3.421	10	20	DGCD	
CCN(CC)c1ccc(CN(C)c2nnc(C)n2CC)cc1	801909196	IPEMRXZJLOVSPA-UHFFFAOYSA-N	301.438	3.089	10	20	DGCD	
COc1cc(N2C[C@H]3CCC[C@@H](C3)C2)c([N+](=O)[O-])cc1OC	804785664	NADOYXVQKMWERP-RYUDHWBXSA-N	306.362	3.238	10	20	DGCD	
CO[C@@H]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809578744	PPYZZVOOGCJYMF-HXUWFJFHSA-N	322.452	3.470	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]3CN(C)CC[C@@H]32)cc1	809767353	INHYXCFYTYQDRW-QUCCMNQESA-N	315.505	3.449	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CC[C@H]3CNC[C@H]3C2)c2c(O)ccc(F)c21	817985092	ABZXAGCRHJYLSG-OKWIKPQFSA-N	304.409	3.057	10	20	DGCD	
CCn1cc([C@H](C)NCc2cccc(Br)c2O)cn1	825129715	BKTTZBCXQMUJEZ-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
CCc1cccc(CN[C@H]2CCN(C3CCCCC3)C2)c1O	827259438	FFMQIMWQHSUEEL-KRWDZBQOSA-N	302.462	3.451	10	20	DGCD	
Cc1cc(CN[C@H](CO)C(C)(C)C)ccc1N1CCCCC1	828761727	NVSRBBULORRHHN-GOSISDBHSA-N	304.478	3.482	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)C3CCC3)CC2)cc1	837385773	DOEIYTJIWYPVAS-CQSZACIVSA-N	316.445	3.216	10	20	DGCD	
CCc1[nH]ccc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840554369	HACMXLISHMEQSU-CQSZACIVSA-N	313.445	3.313	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)COCC(F)(F)F	840931114	SMIHSDUSLFMXQA-LBPRGKRZSA-N	304.356	3.118	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@@H]1c1ccccc1	840957051	HZCJBTNSMWNYTB-WOJBJXKFSA-N	310.441	3.369	10	20	DGCD	
COC(=O)[C@H](C)c1cccc(NCc2cc(OC)ccc2O)c1	840958849	VENGVLKKYUMUNU-GFCCVEGCSA-N	315.369	3.289	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cnn2ccccc12	840974952	AECCZTMUJFUNGN-INIZCTEOSA-N	322.456	3.430	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)Nc1ccc2c(n1)CCC2	844699271	SYIFUICXBRYWFG-UHFFFAOYSA-N	317.776	3.251	10	20	DGCD	
C[C@H](N[C@H]1CCCN2CCCC[C@@H]12)c1cc(F)cc(F)c1O	848568308	FFVQIIGRHYWGQT-UVBJJODRSA-N	310.388	3.338	10	20	DGCD	
CCc1cccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O	848907007	GLLITNPLFQMZNB-UKRRQHHQSA-N	317.351	3.090	10	20	DGCD	
CCCn1nccc1CN[C@@H](C)Cc1ccc(N(C)C)cc1C	850326614	AIIUGPYSFWVMNM-INIZCTEOSA-N	314.477	3.388	10	20	DGCD	
Cc1cc(NC(=O)NCCCSc2nccs2)ccc1N	850778796	YVJUCAJNYYOMOH-UHFFFAOYSA-N	322.459	3.338	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)Cc2ccccc2F)c1	858157224	WBTIUHHPCZEQCF-CYBMUJFWSA-N	316.376	3.270	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@H]1C[C@H](O)c1ccco1	876807471	FASODUOLSUIYHP-YOEHRIQHSA-N	301.386	3.382	10	20	DGCD	
Cc1cccc(O)c1CNc1cccc(CN2CCOCC2)c1	876851507	KNUNJIFGCVULNB-UHFFFAOYSA-N	312.413	3.145	10	20	DGCD	
Cc1cccc(O)c1CN[C@@H](C)c1ccc([S@](C)=O)cc1	877122418	SUZVBWDGHSADEF-ZSEKCTLFSA-N	303.427	3.289	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCC[C@H](O)C1CCCC1	877778659	QCACLSHIAVLRHO-AWEZNQCLSA-N	301.789	3.216	10	20	DGCD	
COc1ccc(CNC(C)(C)CC(F)(F)F)c(O)c1OC	893875262	REANHJSKSJYYQV-UHFFFAOYSA-N	307.312	3.230	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)c1O	894337432	SGHYEEMSEXVIAL-YQVWRLOYSA-N	309.409	3.385	10	20	DGCD	
Cc1ccc(NCCN[C@@H](C)c2cc(F)cc(F)c2O)nc1	927073702	OFZSYIDOXBUQQJ-NSHDSACASA-N	307.344	3.137	10	20	DGCD	
CCCC(=O)NCCC1=CCN(c2ccc([N+](=O)[O-])cc2)CC1	1089804450	IOLPVFOIWIGDAX-UHFFFAOYSA-N	317.389	3.038	10	20	DGCD	
COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2)Cc2ccccc21	1118847447	MNRQXBWGBGWNPA-IBGZPJMESA-N	324.424	3.025	10	20	DGCD	
CC(C)(C)OCCCC(=O)Nc1c(Cl)ccc2nonc12	1323708603	ZEKLGPPIOANZFF-UHFFFAOYSA-N	311.769	3.410	10	20	DGCD	
CCc1ccccc1[C@@H](N)CNCc1cc(F)cc(F)c1O	1578275298	HLOXUUDQJADQTK-INIZCTEOSA-N	306.356	3.022	10	20	DGCD	
Cc1ccc(CN[C@@H]2C[C@@]3(CCNC3)Oc3ccccc32)c(O)c1	1579696727	BPVYAXKWNSFKGK-YLJYHZDGSA-N	324.424	3.046	10	20	DGCD	
C[C@@](NCc1ccc(N2CCCC2)cc1)(C(=O)O)c1ccccc1	1593299760	VKWUHYVQJDOWOX-FQEVSTJZSA-N	324.424	3.376	10	20	DGCD	
Cc1cccc(NC(=S)NNc2cccc(C(=O)O)c2)c1C	1600542094	VPDVGXKWLQRGOL-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
CC1([C@H](NCc2cc(F)cc(F)c2O)C(=O)O)CCCCC1	1776514224	MVOUCKBUILCLJK-CQSZACIVSA-N	313.344	3.184	10	20	DGCD	
CCN(C)c1ccc(CNCCC2(C(=O)O)CCC2)c(C)c1	1776856394	RMJOCVVVTYYEIH-UHFFFAOYSA-N	304.434	3.186	10	20	DGCD	
CN(CC(=O)NC1CCCCCCC1)Cc1ccccc1O	109771064	LGVTVAYQISKMKJ-UHFFFAOYSA-N	304.434	3.053	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccccc2OC(C)C)c1	114540861	DZZHAXPGRJDMCL-UHFFFAOYSA-N	315.369	3.118	10	20	DGCD	
CN(c1ccc(CNC(=O)N2CCC2)cc1)C1CCCCC1	65486129	XGKRQBRUDAODDV-UHFFFAOYSA-N	301.434	3.371	10	20	DGCD	
COc1ccc(N(C)CCOc2ccc(C#N)cc2)cc1OC	63616752	WJPXQDAQHGVYGW-UHFFFAOYSA-N	312.369	3.091	10	20	DGCD	
COCc1ccccc1C(=O)NCc1ccc(N(C)C)cc1C	115280611	UCGPCQDGGAKVBT-UHFFFAOYSA-N	312.413	3.137	10	20	DGCD	
CCCCCCN(C)CC(=O)N[C@H](C)c1cc(OC)ccc1O	111608341	GRJCTEGBRYNFEJ-CQSZACIVSA-N	322.449	3.090	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCCO[C@@H](C)C3)c2c1	172494739	CWMQUCAKARQABY-ZDUSSCGKSA-N	301.386	3.165	10	20	DGCD	
C[C@@H](NCCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1O	183485865	ODDNMJLNILFHCZ-CYBMUJFWSA-N	320.433	3.442	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)sc1C	183414911	DCBVSIBTNHTPKF-JTQLQIEISA-N	305.399	3.137	10	20	DGCD	
CCC1=C(C(=O)NCc2c(O)ccc3c2CCCC3)CCCO1	189557781	OXFQMMQJLVJLBE-UHFFFAOYSA-N	315.413	3.362	10	20	DGCD	
CCCCO[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	75159573	CGJVZGSVGNVVOK-CYBMUJFWSA-N	305.418	3.092	10	20	DGCD	
Cc1ccccc1CN(C)C(=O)NCc1ccc(N(C)C)cc1	31726259	LIQTXXNGWUQFDD-UHFFFAOYSA-N	311.429	3.403	10	20	DGCD	
C[C@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O	315868147	NAJRFSGWANYCKT-ZDUSSCGKSA-N	304.434	3.080	10	20	DGCD	
Cc1cccc(CN2CCO[C@H](c3ccccc3F)C2)c1O	180024287	AWJGLKSZQWXDRX-KRWDZBQOSA-N	301.361	3.413	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cccc(NC(C)=O)c2)c1	182447864	HFHHKMUXKCTFLM-GFCCVEGCSA-N	314.385	3.210	10	20	DGCD	
CCCNc1ccc(CNCc2cc([N+](=O)[O-])ccc2O)cc1	193155823	GWZBLPYBZMCLLX-UHFFFAOYSA-N	315.373	3.412	10	20	DGCD	
C[C@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O	93482717	SLONEWKVEHVKPV-JOYOIKCWSA-N	304.217	3.434	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H](N3CCCC3)CC2)c1O	93563843	WVRQIQYWBBXSCW-KRWDZBQOSA-N	318.461	3.241	10	20	DGCD	
CCN(CC)c1ccc(CNc2cccc(-n3cnnn3)c2)cc1	236981018	HMFXVRZJADPYQG-UHFFFAOYSA-N	322.416	3.121	10	20	DGCD	
CN1[C@H]2CC[C@H]1CN(Cc1ccc(N3CCCCC3)cc1)CC2	245753423	OEMZGLFTWQPUKX-ICSRJNTNSA-N	313.489	3.345	10	20	DGCD	
Cc1c(CNCc2ccn(C(F)F)n2)n(C)c2ccccc12	355128351	UWEBTULTPSXVJO-UHFFFAOYSA-N	304.344	3.368	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)NC1CCCC1	266536844	HKUZWHPGDAGXKI-CQSZACIVSA-N	304.434	3.052	10	20	DGCD	
COc1ccc(N(C)Cc2nnc3n2CCCCC3)cc1Cl	268227697	YAQCOEOFIQZGEB-UHFFFAOYSA-N	320.824	3.303	10	20	DGCD	
CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCO1	272351387	QVFRFVLAENVMBQ-RDJZCZTQSA-N	320.433	3.175	10	20	DGCD	
C[C@H](N[C@H](C)c1nncn1C)c1ccc(Cl)c(Cl)c1O	273568653	KDSLJHUWDRDUCR-JGVFFNPUSA-N	315.204	3.239	10	20	DGCD	
Cc1ccc([C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)c(C)c1	280158206	UPPQHRJOCJFAIY-CQSZACIVSA-N	311.381	3.344	10	20	DGCD	
CCOc1cccc(CN2CCOC[C@H]2c2ccccc2)c1O	372403827	HKZIRHIURMQKHV-KRWDZBQOSA-N	313.397	3.364	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@H](C)C1	283536162	GTGDNVUEUVRHAA-ZBFHGGJFSA-N	320.433	3.271	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCc2nnc3n2CCCC3)c1O	808713707	JRKFVHDZTLXOGG-LLVKDONJSA-N	320.824	3.133	10	20	DGCD	
CC[C@H](NCc1ccc(C(N)=O)cc1)c1cccc(Cl)c1O	806128844	POYMRLPUMZGQDB-HNNXBMFYSA-N	318.804	3.385	10	20	DGCD	
COc1cc(O)c(CN2CC3(CCC3)[C@H]2C2CC2)cc1OC	291561466	NDMCKEGKBOXPKE-QGZVFWFLSA-N	303.402	3.174	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCNC(=O)OC(C)(C)C)c(O)c1	293586087	FFXQICPYGLTUBB-CYBMUJFWSA-N	308.422	3.184	10	20	DGCD	
Cc1cccc(C[C@H](CO)NCc2cc(Cl)c(F)cc2O)c1	816588721	WWLKCYATRPIEBP-CQSZACIVSA-N	323.795	3.186	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCN2C(=O)OC(C)(C)C)c1	811502946	NUSADTKCCWZTOE-UHFFFAOYSA-N	322.405	3.149	10	20	DGCD	
O=C1CN(Cc2ccccc2O)C(=O)N1CCCC1CCCC1	819165064	NTORKHDQGHIZOU-UHFFFAOYSA-N	316.401	3.127	10	20	DGCD	
Oc1c(CNCCCOC[C@@H]2CCCO2)ccc2ccccc12	816530620	OQHLOLLYTMRVEQ-KRWDZBQOSA-N	315.413	3.221	10	20	DGCD	
COc1cc(O)c(CNC[C@@H]2C[C@H]3C=C[C@H]2CC3)cc1OC	817410435	MHAIRNJHJQDVCG-IHRRRGAJSA-N	303.402	3.101	10	20	DGCD	
OCCN(CCc1ccccc1)Cc1cc(Cl)c(F)cc1O	816510622	AXQPUDRLCZQFRB-UHFFFAOYSA-N	323.795	3.222	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)c1O	824490102	VLYFRXPMNZTNTM-LWWSYDQCSA-N	305.805	3.308	10	20	DGCD	
CC(C)N(C)Cc1cccc(CNC(=O)c2cc(O)cs2)c1	827141617	VIWAWBALHCSXME-UHFFFAOYSA-N	318.442	3.224	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21	831925181	SKSBKYLXADFCDO-CTNYNGJSSA-N	317.429	3.361	10	20	DGCD	
Cc1cccc(C)c1CN(C)Cc1cc2c(cc1O)OC[C@@H]2O	904439604	OQCPTKFJBRQZPJ-SFHVURJKSA-N	313.397	3.067	10	20	DGCD	
CC(C)c1ocnc1C(=O)N(C)Cc1ccc(N(C)C)cc1	731875367	ZNJZHCDMKBLJHR-UHFFFAOYSA-N	301.390	3.136	10	20	DGCD	
Cc1nc(NC(=O)NCCCSc2nccs2)oc1C	734512115	CFYFZNYXAXYPDV-UHFFFAOYSA-N	312.420	3.052	10	20	DGCD	
C[C@H](c1ccc(C(=O)O)o1)N1CCOc2cc(N(C)C)ccc21	833547170	QTMIBMSTZFZHTB-LLVKDONJSA-N	316.357	3.004	10	20	DGCD	
CS[C@@H](C)COC(=O)c1cc(C)n(-c2ccccn2)c1C	835678488	TUYQYXMWZCTRFK-LBPRGKRZSA-N	304.415	3.397	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC([C@@H]2CCOC2)CC1	840936835	MWHOGPDJIUOSKE-GOSISDBHSA-N	302.462	3.310	10	20	DGCD	
Cc1cc(C(=O)O[C@@H]2CCCCC2=O)c(C)n1-c1ccccn1	914905183	FSSBUOHXBFDHLX-MRXNPFEDSA-N	312.369	3.158	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccc(OC)cc1O)[C@@H]1CC1(C)C	841594093	PSVFOACLQULIRF-KBPBESRZSA-N	306.406	3.025	10	20	DGCD	
C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C(C)(C)C1	746754662	KYRBJDCUAIIPRO-CQSZACIVSA-N	315.461	3.399	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](N2CCCC2)[C@@H]1C	840946584	SFHULAKCPOXEOA-QFBILLFUSA-N	301.478	3.120	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(C)(C)C(=O)NCC(C)(C)C	840937502	VKTBDMUVIGLKRT-UHFFFAOYSA-N	319.493	3.092	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](O)c2ccccc2C)c1O	846146989	UBSLOJPYVSKLDM-BBRMVZONSA-N	301.386	3.093	10	20	DGCD	
Cc1ccc([C@@H](NC(=O)Cc2ccc(N)cc2)C(F)(F)F)o1	848437090	DFIIOEXFLDIUGS-CQSZACIVSA-N	312.291	3.133	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC23CCCC3)cc1	844854807	NPLJVPRLIRMMDN-KRWDZBQOSA-N	316.445	3.170	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCO[C@@H](C(F)(F)F)C2)c1	845971214	INPTUUXQTJZMJO-PKFCDNJMSA-N	319.323	3.161	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2CCCCN2)c(C(F)(F)F)c1	841033166	NZQAYIFWXNFMIX-CYBMUJFWSA-N	315.383	3.003	10	20	DGCD	
CC(C)N(C)c1ccc(CN2CCCc3cc(CN)ccc32)cn1	843058419	SGLCLVQPRQIKIU-UHFFFAOYSA-N	324.472	3.338	10	20	DGCD	
COc1cc(C)cc(CN(C)CCN(C)c2ccccc2)c1O	754725997	JMACKWUJELZCCI-UHFFFAOYSA-N	314.429	3.277	10	20	DGCD	
CCC[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)OCC	858368913	PJAHNARWBGURRE-WMLDXEAASA-N	321.465	3.318	10	20	DGCD	
CC[C@@H](NC[C@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1	766440727	YVBYIWHYBJKHKQ-QZTJIDSGSA-N	321.534	3.231	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1c1cccs1)[C@@H](O)CO2	768442102	OUXNDXDYGKQGSR-ZFWWWQNUSA-N	317.410	3.217	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)c2ccccc2O1	765650381	LQIQOJBNMYRKMC-MRXNPFEDSA-N	324.424	3.311	10	20	DGCD	
CC(C)(O)[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1	877796607	KHCADOQXTAAERC-SNVBAGLBSA-N	301.789	3.168	10	20	DGCD	
C[C@@H](C1CC1)N(Cc1ccc(N2CCC(O)CC2)cc1)C1CC1	876597116	GJBFSPBEGZJHDM-HNNXBMFYSA-N	314.473	3.411	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2O)[C@H](C)CN1C(=O)OC(C)(C)C	775969631	YMONDFKVLIQLKS-KGLIPLIRSA-N	320.433	3.222	10	20	DGCD	
CC(C)[C@@H](CN[C@@H](C)c1cc(F)cc(F)c1O)c1ccnn1C	788258791	IWXVWLPOVCYDNC-SMDDNHRTSA-N	323.387	3.494	10	20	DGCD	
Oc1c(Cl)cccc1CNCc1cnn(CC2CCC2)c1	897431193	BJCWJHQATAYIJO-UHFFFAOYSA-N	305.809	3.332	10	20	DGCD	
CCC1(CNC(=O)NCc2ccc(OC)cc2O)CCCC1	792997496	XYKLXBXIWLBCBJ-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
CN(CCCOCc1ccccc1)C(=O)c1cc(O)cs1	799200226	DEUHQWXMSMOGCP-UHFFFAOYSA-N	305.399	3.133	10	20	DGCD	
CC[C@H](C)C(=O)N1CCC[C@H](NCc2ccc(OC)c(C)c2)C1	998576528	FXHKJDMDPFYGTL-YOEHRIQHSA-N	318.461	3.130	10	20	DGCD	
Cc1coc(C(=O)NCc2cccc(Br)c2O)c1C	1322488612	TWJXUBXJYXRUOP-UHFFFAOYSA-N	324.174	3.295	10	20	DGCD	
Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)nn1C(C)C	1333467452	IDFXTWUDGRBHRH-GFCCVEGCSA-N	302.378	3.361	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CCC[C@H](F)C3)cc2)CC1	1333368881	NJFGHPBGTNPFPA-HOTGVXAUSA-N	306.425	3.018	10	20	DGCD	
CCN(Cc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1	1235948581	QLBCPLDUIRYSGB-FQEVSTJZSA-N	309.457	3.365	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1Cc2ccccc2C[C@@H]1C(=O)O	1600236395	HPTQWMWBMMTRQW-LJQANCHMSA-N	324.424	3.073	10	20	DGCD	
Cc1ccc(O)c(CN(Cc2ccccc2)C[C@@H](C)C(=O)O)c1	1610509591	LTQWCCGSEHZCLK-OAHLLOKOSA-N	313.397	3.424	10	20	DGCD	
Nc1ccc(CCNC(=O)c2cc(Cl)nc(C3CC3)c2)cc1	1580443614	SVTWKUIYTNLSIT-UHFFFAOYSA-N	315.804	3.167	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(C(=O)O)c1	1589736576	CAJYYFKBGODDRC-UHFFFAOYSA-N	312.413	3.473	10	20	DGCD	
C[C@H](CC(C)(C)CC(=O)O)NCc1ccc(N(C)C)c(F)c1	1592446529	ZDYSCKMULCMKCS-GFCCVEGCSA-N	310.413	3.261	10	20	DGCD	
CCN1CCCc2cc(CNC3CCC(C(=O)O)CC3)ccc21	1776876002	JXPDYYUUESBWGP-UHFFFAOYSA-N	316.445	3.192	10	20	DGCD	
CCN1CCc2cc(CN[C@H](CCC(C)(C)C)C(=O)O)ccc21	1776876987	AUBWZEVARGBROE-MRXNPFEDSA-N	318.461	3.438	10	20	DGCD	
Cc1cccc(C)c1OCC(=O)NCc1ccc(N(C)C)cc1	18214938	QSNKVQNDGPRPSA-UHFFFAOYSA-N	312.413	3.065	10	20	DGCD	
COc1ccccc1[C@H](C)CC(=O)NCCc1ccc(N)cc1	152500415	TUWCCRUOSSLQLA-CQSZACIVSA-N	312.413	3.130	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	13189995	CLCWWFLHNQYZKR-FVSXHXCTSA-N	304.346	3.175	10	20	DGCD	
CN(C)c1ccc(CNC(=O)COc2cccc(Cl)c2)cc1	7890745	MLQXHUZHHDYURL-UHFFFAOYSA-N	318.804	3.101	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ncccc2Cl)cc1	1351408050	NVKOILCLVZDZKU-UHFFFAOYSA-N	319.836	3.312	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)c2cnn(C)c2)c(C)n1-c1ccccc1	124860583	KNCPFXDUKRRGLM-AWEZNQCLSA-N	322.412	3.319	10	20	DGCD	
C[C@@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1O	186136997	ROJDQMRYXHRTCR-AXAPSJFSSA-N	311.422	3.237	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2cccc(C#N)c2)c1	182463135	OLGJFECSIYCTFE-CYBMUJFWSA-N	312.369	3.002	10	20	DGCD	
Cc1csc(NC(=O)NCc2ccc3c(c2)CCCN3C)n1	120079095	GVLIAIPUWYVVHT-UHFFFAOYSA-N	316.430	3.156	10	20	DGCD	
Cc1noc(C2CC2)c1C(=O)NCCCSc1nccs1	132730433	YIFRFYMTDIAONX-UHFFFAOYSA-N	323.443	3.229	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCc2cccnc21	195345900	KQWCERARUIWWEO-SFHVURJKSA-N	323.440	3.226	10	20	DGCD	
CC(C)C(=O)NC[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	92706219	UPOAUSUDXVISAG-ZDUSSCGKSA-N	324.852	3.030	10	20	DGCD	
Cc1cc(C(=O)NCCCCC(=O)O)c(C)n1-c1ccccc1	237584388	USCLMRRYRYYWNI-UHFFFAOYSA-N	314.385	3.079	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H](C1CCCC1)C(F)(F)F	274880977	NGOUSGBOCDFOHV-ZDUSSCGKSA-N	316.323	3.313	10	20	DGCD	
CCN(C[C@@H](C)OC)C(=O)NCc1c(C)c2ccccc2n1C	464318373	GUBCBEAPFKGVPE-CYBMUJFWSA-N	317.433	3.053	10	20	DGCD	
C[C@H](NCc1cncn1C)c1ccc(Cl)c(Cl)c1O	289931260	VLTQKFDYEOWNDS-QMMMGPOBSA-N	300.189	3.283	10	20	DGCD	
CSCc1ccc(CNCc2cc3c(cc2O)OCO3)cc1	285651278	ZZMPVCUQYBWEMM-UHFFFAOYSA-N	317.410	3.274	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCC[C@@H]2C[C@H](C)O)c1O	280487454	ONCJRFICLFRQMY-SMDDNHRTSA-N	313.825	3.180	10	20	DGCD	
CC[C@@H](C)CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	285412894	KKOGNFBPONUUON-MRXNPFEDSA-N	318.461	3.308	10	20	DGCD	
CCNC(=O)C1(CN[C@@H](CC)c2ccc(C)cc2O)CCC1	280052409	JRKLIOXWPOPTFW-HNNXBMFYSA-N	304.434	3.048	10	20	DGCD	
Cc1c(CNC(=O)N2C[C@@H]3CCC[C@H]3C2)n(C)c2ccccc12	472234992	ZLMSCPLYZKZALX-GJZGRUSLSA-N	311.429	3.428	10	20	DGCD	
CCCCO[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	299256011	GYBDHKAUXAVPHV-OAHLLOKOSA-N	304.434	3.108	10	20	DGCD	
CC[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(F)cc1O	297267819	KLXZQGYEZWSZHA-NVXWUHKLSA-N	321.367	3.315	10	20	DGCD	
CCCCN(CCC(=O)N1CCC[C@H]1C)Cc1ccccc1O	801598381	YMGAEVVRTFLLSC-MRXNPFEDSA-N	318.461	3.395	10	20	DGCD	
CC(C)n1cnnc1CN(C)Cc1c(O)ccc2ccccc12	292098280	OQZOBQIOJAJRAH-UHFFFAOYSA-N	310.401	3.350	10	20	DGCD	
Cc1cc(CN2CCC(OCC3CC3)CC2)ccc1N(C)C	815055448	AMLDPEJTFMULSZ-UHFFFAOYSA-N	302.462	3.452	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)ccc2F)c1	728985360	WPBGSOUHQVOWRW-VIFPVBQESA-N	307.296	3.170	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2cc(C)ccc2F)c1	825736753	IQXGLHONCCCLDD-LBPRGKRZSA-N	317.360	3.268	10	20	DGCD	
CCOc1ccc(O)c(CN(C)[C@@H]2C[C@H](OC)C23CCC3)c1	825104227	RINBYMGHYWOTRW-SJORKVTESA-N	305.418	3.180	10	20	DGCD	
OC[C@H](C1CC1)[C@@H](NCc1cc(Cl)cc(F)c1O)C1CC1	824845140	IFLVDCFZXAGYFA-HIFRSBDPSA-N	313.800	3.071	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@@H]4C[C@@H]43)ccc21	826020380	SUMTVZKQOISFCE-HYVNUMGLSA-N	313.445	3.057	10	20	DGCD	
CCCCN(CCCC)C(=O)CN(C)Cc1ccccc1O	731843134	ZGYVFCUKKWWHFH-UHFFFAOYSA-N	306.450	3.253	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N3[C@H]4CC[C@H]3COC4)c2C)c1	838092187	DOIAFIWGWJZATP-ROUUACIJSA-N	324.424	3.406	10	20	DGCD	
CN(C)c1ccc(/C=C\CN[C@@H](CC(=O)O)C(C)(C)C)cc1	904002279	RHHPILYZBUIEJV-WLMCBFPDSA-N	304.434	3.245	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)C(C)(F)F	839920662	COTBCDQIYVUGMH-CHWSQXEVSA-N	312.404	3.400	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@H]1C(C)C	838761232	MCVHQZVBKVZUER-DLBZAZTESA-N	303.450	3.329	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H](C)CCO	833223204	PSPYTBREWOEGJU-LBPRGKRZSA-N	320.458	3.294	10	20	DGCD	
CCO[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	916114587	GUQQSLRRMQKWFK-QZTJIDSGSA-N	316.445	3.060	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2CCO[C@@]3(CCSC3)C2)c1O	846155101	DQOZCCGRYYLTMZ-DCGLDWPTSA-N	323.458	3.106	10	20	DGCD	
CC1=CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1	840482054	RPWHJHSVRGQHQO-MRXNPFEDSA-N	315.461	3.354	10	20	DGCD	
CCc1cccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1O	848901458	SQBWVVFDTQBQFI-HTAPYJJXSA-N	317.454	3.164	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](OC)c2ccccc2)c1O	846147007	UQOCEBSUVPPUFG-DYVFJYSZSA-N	301.386	3.439	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2cc(OC)cc(C(C)(C)C)c2O)C1	850324510	SZMYFORAABEFDR-OTVXOJSOSA-N	307.434	3.355	10	20	DGCD	
CCn1nccc1CN[C@H](C)c1cc(Br)ccc1O	853241755	XNPVJURAYKGFHA-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](C)N2CCCC[C@H]2C)c1	756411364	OSKCXZDGPLDQRL-KFWWJZLASA-N	306.450	3.314	10	20	DGCD	
CCn1c(/C(Cl)=C\c2cnnn2C)nc2c(F)cccc21	751031977	MQAAEBCSPAFLDK-JXMROGBWSA-N	305.744	3.061	10	20	DGCD	
CC[C@H](NC)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	852796222	AKKHVMBMCGSZKA-SFHVURJKSA-N	317.477	3.070	10	20	DGCD	
COCCOCc1ccc(NCc2cccc(OC)c2O)cc1	858297017	BNLGDCMZZLWNOS-UHFFFAOYSA-N	317.385	3.176	10	20	DGCD	
C[C@@H](NC(=O)N[C@](C)(C1CC1)C(F)(F)F)c1ccccc1O	933562631	DDVCIDBTRPCTSN-YMTOWFKASA-N	316.323	3.483	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2csc(N(C)C)n2)c2c(O)ccc(F)c21	756635782	HMQDFHHSVZEJJO-BXKDBHETSA-N	321.421	3.392	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)noc1C(C)C	935946952	QCPFSGAKNKINMT-UHFFFAOYSA-N	323.389	3.228	10	20	DGCD	
CCOc1cccc(CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)c1O	769548143	FZGUDFPRWFUSQI-CRAIPNDOSA-N	307.434	3.426	10	20	DGCD	
O=C(CCC1CCCC1)COC(=O)/C=C/c1ccc(O)c(O)c1	764556884	GXQFJYHMVJJZQQ-JXMROGBWSA-N	318.369	3.194	10	20	DGCD	
COCc1ccccc1CNC(=O)N[C@H](C)c1ccccc1O	868029908	DYAPXYSBKYCBBU-CYBMUJFWSA-N	314.385	3.099	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SC[C@H]1CC2(CC2)C(=O)O1	761641043	HPIWTZSWXRKUKI-CYBMUJFWSA-N	314.410	3.275	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](CC)C(=O)OC(C)(C)C)c1	763502518	SLAQRJLQKQELJF-CQSZACIVSA-N	309.406	3.001	10	20	DGCD	
C[C@H](N[C@H](C)c1cscn1)c1ccc(N2CCOCC2)cc1	768099065	WBHJMZQVYZHAHM-UONOGXRCSA-N	317.458	3.392	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC(F)(F)C1	763709302	ULQIJFGNKVSGJR-ZDUSSCGKSA-N	311.376	3.048	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)[C@@H]1C	877594566	VGRHNYYHXOMJJL-OAGGEKHMSA-N	302.462	3.124	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1OC	776174550	FKFMGALWHBEZLI-UMVBOHGHSA-N	305.418	3.468	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@H](C)c2c(O)cccc2F)cc1	886543495	PSIXCZJEJUFXLB-WBMJQRKESA-N	319.376	3.314	10	20	DGCD	
CC[C@@H](NCCc1cccc(C(N)=O)c1)c1ccc(C)cc1O	794812557	XECGYDGJJHPUAP-QGZVFWFLSA-N	312.413	3.083	10	20	DGCD	
COCC1(C)CCN(Cc2c(O)ccc(Cl)c2F)CC1	792173948	MLRMDIKNPXESEE-UHFFFAOYSA-N	301.789	3.433	10	20	DGCD	
O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc(O)c1O	790599481	ZGAMTMVNNSDQFR-UHFFFAOYSA-N	301.317	3.046	10	20	DGCD	
O=C1OCCN1c1cc(NCc2cc(F)ccc2O)ccc1F	793315182	NMXWLOSSNKNKNV-UHFFFAOYSA-N	320.295	3.239	10	20	DGCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1F	1318895015	VYHZFVYNUJJBDR-LLVKDONJSA-N	305.324	3.433	10	20	DGCD	
CN(C)[C@@H]1CCCC[C@H]1NCc1c(O)ccc(Cl)c1F	1338928168	CCFZCXNOVOOZOM-CHWSQXEVSA-N	300.805	3.147	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCCOC1CCOCC1	1342407969	KVBGZHYUFAHFFO-HOCLYGCPSA-N	319.445	3.424	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@](C)(O)C2)cc1	152689669	GCGNZVKCTMEHSQ-LJQANCHMSA-N	312.413	3.081	10	20	DGCD	
C[C@H](NCc1cccc(Br)c1O)[C@H]1CCCOC1	388942505	GOROMJCEFTXFTJ-JQWIXIFHSA-N	314.223	3.059	10	20	DGCD	
COc1ccc(-c2nc3c(o2)C(=O)c2ccccc2C3=O)cc1	34538004	WEUDJJQFPFEFPO-UHFFFAOYSA-N	305.289	3.126	10	20	DGCD	
Cc1cc2ccccc2n1CC(=O)N(C)Cc1ccccc1O	42117645	VMMOTXYOEQZPLR-UHFFFAOYSA-N	308.381	3.314	10	20	DGCD	
Cc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1[N+](=O)[O-]	47323255	GAHUVVMCFVQYKY-UHFFFAOYSA-N	315.329	3.273	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccco1	53251079	VNOQFQNBDUPEFD-UHFFFAOYSA-N	301.390	3.077	10	20	DGCD	
CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(O)c(O)c1	54701736	GBLFUMPGIHSDEV-HNNXBMFYSA-N	318.760	3.338	10	20	DGCD	
C[C@@H](NC(=O)C[C@@H](C)C1CC1)c1ccc(N2CCOCC2)cc1	65561758	QICPPHGUFZENJQ-HUUCEWRRSA-N	316.445	3.137	10	20	DGCD	
CCCCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	68463027	ZAKWJRUZNXXMEY-HNNXBMFYSA-N	319.449	3.074	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@@H]1CCN(CC(F)(F)F)C1	83551963	NKHBTUWEILBUOP-JTQLQIEISA-N	322.758	3.019	10	20	DGCD	
Oc1cc2c(cc1CNc1ccccc1OC(F)F)OCO2	120127634	IAJMYPNLWLJAFX-UHFFFAOYSA-N	309.268	3.334	10	20	DGCD	
CCCCNC(=O)[C@H]1CCCN(Cc2c(O)cccc2Cl)C1	124927824	IBBWIIHDVJCZLC-ZDUSSCGKSA-N	324.852	3.174	10	20	DGCD	
Nc1ccc(CCNC(=O)C2(Cc3ccccc3)CCC2)cc1	152577241	MVHQMNAITDZTBE-UHFFFAOYSA-N	308.425	3.341	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCOCC(F)(F)F)cc1	159344889	SGSQKXQTJBNFNG-GFCCVEGCSA-N	304.356	3.372	10	20	DGCD	
C[C@@H](NCc1ccccc1Cn1cccn1)c1ccccc1O	183393152	WUQODLYZUXHESC-OAHLLOKOSA-N	307.397	3.488	10	20	DGCD	
CC[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccccc1O	186097536	JIZSCQXDBJOFEL-GOSISDBHSA-N	322.412	3.273	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc(F)ccc1O	186136981	ROJDQMRYXHRTCR-NORZTCDRSA-N	311.422	3.237	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@](C)(O)c2ccc(F)cc2)c1	186189631	VCUVUZQKDDLAOO-UGSOOPFHSA-N	303.377	3.398	10	20	DGCD	
CCOCCOCCN(C)Cc1cc(C)cc(C(C)(C)C)c1O	189233557	AWCYUBBMDOTQLD-UHFFFAOYSA-N	323.477	3.483	10	20	DGCD	
CC(C)Oc1ccc(N(C)CCCS(=O)(=O)C(C)C)cc1	191578845	ONGLJBQUKURUAZ-UHFFFAOYSA-N	313.463	3.123	10	20	DGCD	
CCN(Cc1nnc(C(C)C)o1)c1ccc(OC)c(OC)c1	263942960	GBOXLNFIYIVZGW-UHFFFAOYSA-N	305.378	3.237	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCSCC1	264918342	QPRDUZFDLFBFJC-UHFFFAOYSA-N	306.475	3.244	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)c2ccccc2F)c(OC)c1	269847129	WYMFNVWKWPKHLH-MRXNPFEDSA-N	305.349	3.013	10	20	DGCD	
CCc1nc([C@@H](C)N[C@@H](C)c2ccc(N(C)CC)cc2)n[nH]1	271499370	LXAJAVRPURYCRJ-QWHCGFSZSA-N	301.438	3.235	10	20	DGCD	
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccccc2O)C1	272659794	RFZCSXFBFXGTMC-KBPBESRZSA-N	320.433	3.127	10	20	DGCD	
CC(C)[C@H](CCO)N[C@@H](C)c1cc(Br)ccc1O	273606645	UFXLIVDFNKWJNJ-GWCFXTLKSA-N	316.239	3.212	10	20	DGCD	
CC[C@@H](NCCCOC[C@H]1CCCO1)c1ccc(F)cc1O	285771048	SUVXNPRPWZUFAM-GDBMZVCRSA-N	311.397	3.158	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]2CCCC[C@H]21	286869526	YRSKWIKSGHZKMT-BZUAXINKSA-N	317.429	3.363	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)CCCCO)c(C)n1-c1ccccc1	295419518	IQKQZWMJMTYRHR-AWEZNQCLSA-N	314.429	3.375	10	20	DGCD	
COCCOc1ccccc1CN[C@H]1CCc2cccc(O)c21	296200080	YXPNDJFPOXCKIH-INIZCTEOSA-N	313.397	3.195	10	20	DGCD	
O=C(O)[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1	321486476	RWRNIAHMUSECMH-SFHVURJKSA-N	310.397	3.202	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC12CCCC2	353886071	DYQMMFUBTZWHTJ-AWEZNQCLSA-N	300.402	3.058	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1c1cccnc1	363192594	FIURCZCZQIWXLA-RBUKOAKNSA-N	321.424	3.102	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2(C)CCOCC2)cc1	726752694	QGYOFLHMWYKKKR-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
COCCCN[C@H](C)c1cc(Br)cc(Cl)c1O	756341022	HTRVWXWCVSLZEH-MRVPVSSYSA-N	322.630	3.495	10	20	DGCD	
C[C@H](NCCc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1O	756364014	RMDALXRUWLUHKF-JTQLQIEISA-N	321.323	3.292	10	20	DGCD	
C[C@H](NCCc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1O	756576764	OIQAPGODJLCFJT-JTQLQIEISA-N	322.311	3.472	10	20	DGCD	
C[C@@H](NCCOC[C@H]1CCCO1)c1cc2c(cc1O)CCCC2	756585099	XEFSVUYCFQHNFH-RHSMWYFYSA-N	319.445	3.117	10	20	DGCD	
O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(O)cs1	758716633	ZURWRFNQVJANJM-TZMCWYRMSA-N	321.373	3.243	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)ccc1Cl	763998017	RXSGLBGZPSSRMO-UHFFFAOYSA-N	318.804	3.384	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCC(C)(C)O)c1C	773399352	WPORTROWEKEAHJ-UHFFFAOYSA-N	314.429	3.293	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2cc(OC)ccc2O)C12CCCC2	776224585	UKBWLULIUNRRQB-IRXDYDNUSA-N	305.418	3.228	10	20	DGCD	
COc1cc(NCc2cccc(C)c2O)ncc1Br	776256633	RLBDTWSKVUXBRU-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2cccc(C)c2O)C1	777221385	GTCYRHHVFNBXOG-ZBFHGGJFSA-N	320.433	3.047	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCC(OC)CC1	780496111	HEGZWUKFXKQCDA-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
CC[C@](C)(CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	782024875	GCSQONMIKNVYNS-LJQANCHMSA-N	314.429	3.293	10	20	DGCD	
CC(C)(C)OCCCCOC(=O)/C=C/c1ccc(O)c(O)c1	789071687	CNVOWAZZOUTRFD-VQHVLOKHSA-N	308.374	3.250	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)c1csc2ccccc12	795276572	QIFXGOIDFCFCBL-UHFFFAOYSA-N	305.380	3.408	10	20	DGCD	
Cn1nccc1[C@H]1CCCN(Cc2c(O)ccc3ccncc23)C1	800858363	MAOKPTVAYYGWEF-HNNXBMFYSA-N	322.412	3.054	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C	801549369	LPNSAGIFRNINAG-GRDNDAEWSA-N	305.418	3.334	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccccn1	806383292	IFVSIGIFNXXCOU-UHFFFAOYSA-N	312.156	3.416	10	20	DGCD	
Cc1ccccc1Cc1nnc(N(C)Cc2ccccc2O)n1C	809812126	MAYCJSUSXPYDMK-UHFFFAOYSA-N	322.412	3.056	10	20	DGCD	
COCC(C)(C)N(C)Cc1cc(C)cc(Br)c1O	814178168	FFARGPWQCRIVOQ-UHFFFAOYSA-N	316.239	3.320	10	20	DGCD	
COc1cc(N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c([N+](=O)[O-])cc1OC	814922466	JVSUPGDFSCRDAM-WUHRBBMRSA-N	318.373	3.094	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CC[C@@H](C2CCOCC2)C1	816516878	UYXVDZDTLGLHRN-GFCCVEGCSA-N	313.800	3.433	10	20	DGCD	
CON1CCC(NCc2cc(-c3ccccc3)ccc2O)CC1	817419111	PGGGAEHOVFGOIX-UHFFFAOYSA-N	312.413	3.175	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@@H]2CNC[C@H]2C1)c1cc(Cl)ccc1O	817985297	BYIGQUJTXMWZDJ-NCZKRNLISA-N	308.853	3.474	10	20	DGCD	
O=C(CSC(F)F)NCc1cc(Cl)cc(Cl)c1O	832059014	IJFYVQZDIPKYPQ-UHFFFAOYSA-N	316.156	3.271	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](C3CCC3)C2)cc1F	840280320	HUJGYQBXRDXDBA-HNNXBMFYSA-N	319.424	3.223	10	20	DGCD	
COc1cc(O)c(CNC[C@@H]2CCC[C@H]2C2CC2)cc1OC	840954722	MSQCGOCRZUKMCO-ZFWWWQNUSA-N	305.418	3.325	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](OC3CCC3)C2)cc1F	848925320	SQQAWYJYNJEUSP-INIZCTEOSA-N	306.425	3.425	10	20	DGCD	
C[C@@H](NC[C@@H](CO)CC1CC1)c1cc2c(cc1O)CCCC2	850544672	IKGAPNINGDSPRT-HIFRSBDPSA-N	303.446	3.330	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]2C[C@H]2C1	852385730	SQWNKGQGDONPJB-UAGQMJEPSA-N	315.461	3.043	10	20	DGCD	
C[C@H](Cc1cccc(O)c1)NCc1cc(F)c(N(C)C)cc1F	858126285	XNUQJSOWFOJEQB-GFCCVEGCSA-N	320.383	3.457	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](C)c1ccco1	859420489	ZLHCUVNEKUJBNC-CQSZACIVSA-N	300.402	3.464	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2ccc(C(F)(F)F)nc2C)c1	862759294	BZZRNFIBOJEEOL-UHFFFAOYSA-N	324.302	3.353	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N[C@H](c1cc(F)c(N(C)C)cc1F)N2	877863772	TVGLHYBJFJNLHL-MRXNPFEDSA-N	317.339	3.193	10	20	DGCD	
Cc1ccccc1C[C@H](CO)N[C@@H](C)c1c(O)cccc1F	886597190	YSLBJUXLKUNKGM-DZGCQCFKSA-N	303.377	3.094	10	20	DGCD	
CCc1onc(C)c1/C=C1/SC(=S)N(C2CCC2)C1=O	899261041	XXZQATWGJIABHX-KPKJPENVSA-N	308.428	3.299	10	20	DGCD	
CCOc1cccc(CNCc2nc3c(s2)CCC3)c1O	922470859	TUSFGLSYOYGIEL-UHFFFAOYSA-N	304.415	3.026	10	20	DGCD	
Cc1ccc([C@@H](O)CNCc2ccc(N3CCCC3)cc2)cc1	1116812143	YTFGYKPHIBZRCN-FQEVSTJZSA-N	310.441	3.418	10	20	DGCD	
Cc1ccc(C[C@@H](CO)NCc2ccc(N3CCCC3)cc2)cc1	1320607889	MGDUJAYHLZPFKZ-FQEVSTJZSA-N	324.468	3.288	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21	1324965658	RPVHMUMMIWKTLX-ZNMIVQPWSA-N	318.461	3.391	10	20	DGCD	
COc1cc(C)cc(CNc2ccc([S@@](C)=O)cc2)c1O	1338235040	QUGULTSFBMGHSY-OAQYLSRUSA-N	305.399	3.059	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1	1338793707	SKTPNLHQGUSSOC-QGZVFWFLSA-N	309.413	3.358	10	20	DGCD	
CC1(C)C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1	1353620206	WZHNNDNBMFKBFU-CQSZACIVSA-N	317.429	3.092	10	20	DGCD	
C[C@@](NCc1ccc2c(c1)CCCO2)(C(=O)O)c1ccccc1	1593303793	FZXDLGQIMCAVOZ-IBGZPJMESA-N	311.381	3.101	10	20	DGCD	
O=C(O)[C@H]1CCN(Cc2cc(F)ccc2O)c2ccccc21	1594934007	PSVAISXZNHCASY-AWEZNQCLSA-N	301.317	3.110	10	20	DGCD	
CC[C@H](C)[C@@H](CC(=O)O)NCc1c(O)ccc(Cl)c1F	1776953722	AFKSDRYMNQDTFN-GZMMTYOYSA-N	303.761	3.164	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2nc(Cl)ccc2Cl)cc1	15832930	BBNMFNQJPIAOFF-UHFFFAOYSA-N	324.211	3.384	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCCN1CCCC1	21023340	PLQQWLSOXZWCAK-UHFFFAOYSA-N	303.233	3.275	10	20	DGCD	
COC(=O)CN(Cc1cc(Cl)cc(Cl)c1O)C(C)C	93287168	ZXIBTDXISZKOJW-UHFFFAOYSA-N	306.189	3.082	10	20	DGCD	
CCc1nnc(CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)o1	109774425	ZZLYHLGQINRWID-LBPRGKRZSA-N	301.390	3.446	10	20	DGCD	
CN(Cc1nc(-c2ccsc2)no1)c1ccc2c(c1)OCO2	121392480	KDKVYOWKIDJVRI-UHFFFAOYSA-N	315.354	3.163	10	20	DGCD	
CCC[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	122692347	YGRBBRKSEXQWFS-CQSZACIVSA-N	322.424	3.105	10	20	DGCD	
CC1(C)CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1	124850071	VSXVHPQNUPAKGC-BQYQJAHWSA-N	312.344	3.438	10	20	DGCD	
CCN1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)CCN2C	130182343	DOPWGSBAMHEXJG-SFHVURJKSA-N	307.397	3.265	10	20	DGCD	
Cc1ccc(O)c(CNC[C@](C)(O)c2ccccc2Cl)c1	156672282	VIEVSBITZCKKIX-KRWDZBQOSA-N	305.805	3.351	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)c(OC)c2)c1	159723742	DMPYDPPFCBAEOC-SNVBAGLBSA-N	319.332	3.040	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2cccc(O)c2)c1O	181580814	WAKQCEQQTPAMHG-JTQLQIEISA-N	303.333	3.290	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)Cc1cccc(F)c1	182538526	HQHYABOFCDAYKY-GFCCVEGCSA-N	317.360	3.122	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1Cc2ccccc21	194203160	CFYIARXGVMQMAX-QGZVFWFLSA-N	323.440	3.234	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3nc(C)no3)c2C)c1	194515575	MDTTTYHHUUKHQE-UHFFFAOYSA-N	310.357	3.346	10	20	DGCD	
COc1ccc(N2CCN(c3ccnc(Cl)c3)CC2)cc1	229715563	OFPIXXCREOFSCJ-UHFFFAOYSA-N	303.793	3.070	10	20	DGCD	
CC(C)Oc1ccc(/C=C/C(=O)NCCc2ccc(N)cc2)cc1	236701354	UYQAZJQHHQQUHG-KPKJPENVSA-N	324.424	3.428	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@@H]3OCCC[C@H]3C2)c1O	248890277	RYDHCBMZDNAAAC-FZMZJTMJSA-N	311.809	3.055	10	20	DGCD	
CC(C)N(CCC1OCCCO1)Cc1ccc(N(C)C)cc1	267897162	AEWHHLIRHRETCR-UHFFFAOYSA-N	306.450	3.116	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)CCCO)c2C)c1	268205218	GVXUVPRKHJHQQR-CQSZACIVSA-N	314.429	3.293	10	20	DGCD	
C[C@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1	271867858	JTNBEILAZRAWCC-GOEBONIOSA-N	316.445	3.059	10	20	DGCD	
CCOCc1cc(CNCCC(O)(CC)CC)ccc1OC	276242201	PPIUDJFPEFOKOZ-UHFFFAOYSA-N	309.450	3.263	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)[C@@H]1CCCO1	278838950	PKECFUCEGVMFMS-IXDGSTSKSA-N	319.445	3.116	10	20	DGCD	
C[C@@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1	279643044	JMPHQVVWWQVAFK-CQSZACIVSA-N	304.217	3.436	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](C)C(=O)NC(C)(C)C	317436997	RIDHKLVPAKXAMT-UPJWGTAASA-N	304.434	3.142	10	20	DGCD	
CC[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1O	367602265	SFFAQBSMZAUJMB-SZMVWBNQSA-N	301.361	3.230	10	20	DGCD	
CN1Cc2ccccc2[C@H](NCc2cc(Cl)ccc2O)C1	374328419	BWCZLKFZNMVANE-MRXNPFEDSA-N	302.805	3.322	10	20	DGCD	
COc1cc(C)nc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1	735486751	IQTYREATHKOPMO-UHFFFAOYSA-N	312.417	3.029	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCOC2CCC2)cc1	742817532	PDFUZRCCRLKYNG-UHFFFAOYSA-N	312.413	3.393	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)CCOc2ccccc2)c1O	748046921	XEPBWPNDUYDWHB-UHFFFAOYSA-N	317.360	3.245	10	20	DGCD	
COCCONC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	748768724	ZYMXRVCDPXLVIA-UHFFFAOYSA-N	322.792	3.055	10	20	DGCD	
CCO[C@@H](CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(C)C	756631032	XDTPXIJZOBAVJI-LRDDRELGSA-N	310.394	3.402	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@H](O)c2c(F)cccc2F)c1	756738076	JCUCDIWWJHVAPU-BZNIZROVSA-N	307.340	3.363	10	20	DGCD	
Cc1occc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	765395389	ILFWTVWIFFBKRN-ZDUSSCGKSA-N	318.392	3.415	10	20	DGCD	
CC[C@H](N[C@@H]1CCCN(C(=O)OC)C1)c1ccc(N(C)C)cc1	765632348	ZRJJBWJAADKNDY-WBVHZDCISA-N	319.449	3.024	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]2C2CCOCC2)cc1F	777440103	UDRXBCZUSRXMRO-KRWDZBQOSA-N	306.425	3.283	10	20	DGCD	
CCCCCCC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	784236393	FKRBOHOXTJCAEV-NTMALXAHSA-N	306.358	3.194	10	20	DGCD	
Cc1ccccc1[C@@H](CO)NCc1c(O)ccc(Cl)c1F	790970159	BDDMSKLJCGAMBR-CQSZACIVSA-N	309.768	3.316	10	20	DGCD	
Cn1cc2c(n1)CCC[C@H]2NCc1ccc(N2CCCC2)cc1	794797884	QUPZEFOCRINMGT-GOSISDBHSA-N	310.445	3.188	10	20	DGCD	
CC[C@H](NCC1([S@](C)=O)CCC1)c1cc(Cl)ccc1O	798005566	WVUGTWNRQDMJPA-RBZFPXEDSA-N	315.866	3.388	10	20	DGCD	
C[C@@H](N[C@@H](CCO)Cc1ccccc1)c1cc(F)ccc1O	799728569	CKWOEPPKJUAMGC-CJNGLKHVSA-N	303.377	3.176	10	20	DGCD	
O=C(CCCC1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	812504530	ZMKCHPYZNFMUDE-KRWDZBQOSA-N	317.429	3.480	10	20	DGCD	
Cc1cc(CN2CC[C@H](CN(C)CC3CC3)C2)ccc1N(C)C	815056032	YWJPGRKYZVFEPA-LJQANCHMSA-N	315.505	3.225	10	20	DGCD	
C[C@H]1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H](C)O1	815082535	WSTGIJDLLDTJQJ-KYHPRHEASA-N	318.461	3.130	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCN2CCCCCC2=O)c(O)c1	815553790	KBFHHMLKQJTMND-INIZCTEOSA-N	318.461	3.452	10	20	DGCD	
CC(C)[C@@H](CCO)N[C@H](C)c1cccc(C(F)(F)F)c1O	815584152	WUEMOLCHDAJOLT-ZWNOBZJWSA-N	305.340	3.469	10	20	DGCD	
CN1CCC[C@]2(CCN(Cc3ccc4ccccc4c3O)C2)C1	816642073	OQHMNSMIXZPZOH-FQEVSTJZSA-N	310.441	3.463	10	20	DGCD	
Cc1cnc(CNCc2ccc(N3CCSCC3)cc2)s1	823666312	JNGICOIWOWYVJS-UHFFFAOYSA-N	319.499	3.295	10	20	DGCD	
Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccccc3O)cc12	827922893	CGLOXTSWWBRRQI-SECBINFHSA-N	315.398	3.140	10	20	DGCD	
CCCN(CCc1cccs1)C(=O)Cc1ccc(N)cc1	832063630	JJTRCHXQGOZKTO-UHFFFAOYSA-N	302.443	3.354	10	20	DGCD	
C[C@H](NCc1nnc(C2CC2)s1)c1cc(F)cc(F)c1O	840892054	UGDCTVURIPLMHV-ZETCQYMHSA-N	311.357	3.250	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC1CCN(C2CCC2)CC1	840931200	VBGZQFCIVYRFRK-UHFFFAOYSA-N	301.478	3.168	10	20	DGCD	
COc1cc(Cl)cc(CNc2ccc(OCCN)cc2)c1O	841055427	VEKNZZLUOCQHAB-UHFFFAOYSA-N	322.792	3.004	10	20	DGCD	
CO[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC(C)C	841583999	WTZJLOYXDMMTOS-WMLDXEAASA-N	321.465	3.174	10	20	DGCD	
CCc1ccc(CN(C)C(=O)NCCc2ccc(N)cc2)cc1	841962749	QVVQGEWWWZSJNQ-UHFFFAOYSA-N	311.429	3.215	10	20	DGCD	
N[C@H]1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1	843346740	YGECYUVXNGBOOK-AWEZNQCLSA-N	323.400	3.074	10	20	DGCD	
COc1ccc(N(C)Cc2nc([C@H](C)OCC(C)C)no2)cc1	844353036	OVYURJUUECWQQU-ZDUSSCGKSA-N	319.405	3.448	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cc1	844996225	URNKUAVLFZJJAA-IYBDPMFKSA-N	316.351	3.431	10	20	DGCD	
COc1cc(CNC[C@H]2CCCN(C)C2)c(O)c(C(C)(C)C)c1	850128654	GNHWGAAYAFMQGE-CQSZACIVSA-N	320.477	3.130	10	20	DGCD	
CC[C@H](NCCN(C)OC)c1cc(Cl)cc(Cl)c1O	850477567	HWVCPFXOBZRJDO-LBPRGKRZSA-N	307.221	3.233	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(F)cc2[N+](=O)[O-])cc1OC	851735319	SQLNQIDXHHLZIJ-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1cc(C(C)(C)C)ncn1	853472855	FEAXZGNRCMPCSV-LLVKDONJSA-N	301.390	3.228	10	20	DGCD	
CN(C)c1cc(F)c(CNCCC[C@@H]2CCCCO2)cc1F	858157289	WYWALTSWAUSRPB-AWEZNQCLSA-N	312.404	3.470	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCOc2cc(C)ccc2C)c1	862761150	GQDRWRMQKZPQTF-UHFFFAOYSA-N	313.397	3.403	10	20	DGCD	
CC[C@@H](NCCn1ccc(C(F)(F)F)n1)c1ccccc1O	872110204	WSAFDSKHWQCVLU-GFCCVEGCSA-N	313.323	3.348	10	20	DGCD	
COc1cccc([C@H](CNCc2ccc(C)cc2O)N(C)C)c1	876886032	SYQJEPPWJGDINI-SFHVURJKSA-N	314.429	3.102	10	20	DGCD	
CCCCCN1CC(=O)N[C@H]1c1ccc(N(CC)CC)c(F)c1	877854361	QCEVJQILOYTORO-GOSISDBHSA-N	321.440	3.293	10	20	DGCD	
CN1CCc2cc([C@H]3NC(C)(C)C(=O)N3c3ccccc3)ccc21	877857304	OHZWSLFDJOLYLY-SFHVURJKSA-N	321.424	3.093	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)C1(c2ccccc2)CCCC1	910952193	SCYGPDXINMVCQY-UHFFFAOYSA-N	311.381	3.226	10	20	DGCD	
C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	918059252	NSYNTZCWCJSUQF-ZDUSSCGKSA-N	301.434	3.225	10	20	DGCD	
C[C@@H](NCc1cccc2c1OCC2)c1cc(F)cc(F)c1O	927089524	CMWOXBHJVGRYHP-SNVBAGLBSA-N	305.324	3.456	10	20	DGCD	
CC[C@@H](CC(=O)NCCNCc1ccc(OC)c(C)c1)C(C)C	1148353718	XDKRGJQLXDXCMC-KRWDZBQOSA-N	320.477	3.282	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(C(F)F)c1	1179687691	SWCRQZDQXMMRHN-FNORWQNLSA-N	319.307	3.365	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CC[C@@H]2CNC[C@H]2C1	1329036529	MXPBULWWQCUDOJ-QCODTGAPSA-N	300.446	3.227	10	20	DGCD	
CO[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	1336439861	WRKAQJPDWHUOTA-QZTJIDSGSA-N	318.461	3.305	10	20	DGCD	
CC(C)(C)[C@H]1CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	1346222370	SGURFBVASPHNBK-QGZVFWFLSA-N	313.445	3.393	10	20	DGCD	
C[C@@H](Cc1cccs1)N[C@@H](C)c1cc(C(=O)O)ccc1O	1592902827	ORKYNMDQICQBDR-QWRGUYRKSA-N	305.399	3.434	10	20	DGCD	
CCC[C@@](C)(NCc1ccc(N2CCCCC2)cc1)C(=O)O	1595560079	SGDONYJEOLIWMP-GOSISDBHSA-N	304.434	3.410	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C(=O)O)c2ccccc2C)c1	1599598817	UOGDYZXQZPFCMF-YVEFUNNKSA-N	315.369	3.186	10	20	DGCD	
C[C@H](Nc1cccc(CCCO)c1)c1cc(C(=O)O)ccc1O	1604361957	GKHIKXLEIYHAIH-LBPRGKRZSA-N	315.369	3.188	10	20	DGCD	
Cc1occc1CN(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1608056686	QSDPMYVBVFNJRZ-XQRVVYSFSA-N	316.313	3.230	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)cc1	1776861186	MNZPRTTZQROJLQ-CIRFHOKZSA-N	316.445	3.122	10	20	DGCD	
CC(C)(C)C[C@@H](O)CNCc1cc(Br)ccc1O	227372717	YESPOLBWHPUTNK-GFCCVEGCSA-N	316.239	3.041	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCC[C@H]1CCOC1=O	177567067	IZZJIVVJVWTUGB-CYBMUJFWSA-N	302.399	3.132	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(C(C)C)s2)c1	127038973	ZQZYIMDUURDZNJ-SNVBAGLBSA-N	320.414	3.472	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1	185442612	YSYQAWHYVZFTNH-ZIAGYGMSSA-N	320.433	3.361	10	20	DGCD	
CCCC[C@H](CC)CNC(=O)NCc1cccc(OC)c1O	73416501	ZANCBYOVOAAOAQ-ZDUSSCGKSA-N	308.422	3.416	10	20	DGCD	
O[C@@H](CNCc1ccc(N2CCCC2)cc1)c1ccsc1	219105755	RGTJEPVZZNSQDR-KRWDZBQOSA-N	302.443	3.172	10	20	DGCD	
Cc1cccc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1O	188808407	TWQYYHHGWRYAMF-UKRRQHHQSA-N	317.351	3.274	10	20	DGCD	
COc1ccc(N(C)Cc2nc(CCC(C)C)no2)c(OC)c1	131620826	GTFOMPUFRCQFRC-UHFFFAOYSA-N	319.405	3.312	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](C)C2CC2)cc1	80069742	LLVYBTXGSLEHOF-AWEZNQCLSA-N	303.450	3.473	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CCOC[C@H]3C)cc2)CC1	192557260	DQCMPDYESOKVIK-APWZRJJASA-N	302.462	3.438	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CO)Cc2ccccc2)cc1	323071849	ONNGKJLXMCAMDH-IBGZPJMESA-N	312.457	3.226	10	20	DGCD	
COc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)ccc1C	273364233	AZZPDFLFYSWRLD-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
C=Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	274166475	IFTQSSSYTBXORW-UHFFFAOYSA-N	322.408	3.096	10	20	DGCD	
C[C@@H](Cn1ccnc1)N[C@@H](C)c1cc(Br)ccc1O	273372593	GKCZNCZUYVNANL-QWRGUYRKSA-N	324.222	3.091	10	20	DGCD	
COc1cccc(CNC[C@@H]2CCCN2C2CCCCC2)c1O	280544926	DGHGLILZMAXPCV-KRWDZBQOSA-N	318.461	3.288	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](CO)C2CCCCC2)c1	293661200	IQEKYGJSYZZLIF-HIFRSBDPSA-N	307.434	3.240	10	20	DGCD	
CO[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1	801848957	DZYNCZYPYZCPER-VMSUTVGLSA-N	314.337	3.042	10	20	DGCD	
CCCN1C[C@@H](CN[C@@H](CC)c2cccc(Cl)c2O)CC1=O	817588996	KQIBZEQHIDCJEZ-DOMZBBRYSA-N	324.852	3.345	10	20	DGCD	
COc1ccc([C@@H](C)NCCc2ccc(N)cc2)c(OC)c1	817955435	AQQVYGXKWXUBPM-CYBMUJFWSA-N	300.402	3.179	10	20	DGCD	
O=C(c1cc(F)c[nH]1)N(Cc1ccco1)Cc1ccccc1O	815797005	XDEGFKBVRLPCPJ-UHFFFAOYSA-N	314.316	3.295	10	20	DGCD	
CC(C)n1cc(C(C)(C)NCc2ccc(N(C)C)c(F)c2)nn1	817419714	KCVYFXSKZMQPKJ-UHFFFAOYSA-N	319.428	3.089	10	20	DGCD	
O=[N+]([O-])c1ccc(CNCc2cc(Cl)c(F)cc2O)cc1	816562733	WZSLXHKKBBQGRO-UHFFFAOYSA-N	310.712	3.383	10	20	DGCD	
CC[C@H](NC[C@H]1CCCNC1)c1ccc(C(F)(F)F)cc1O	817945798	MIFOOHYKRPMRNM-FZMZJTMJSA-N	316.367	3.451	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C(=O)O)CC[C@H]2C)cc1F	817881423	RRPAVWBKWIJEAY-HIFRSBDPSA-N	322.424	3.357	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1O	828554960	INVVUMKCAGJONS-PKOBYXMFSA-N	302.462	3.188	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2sccc2C)c1	728944325	VDQYDSXWECFALX-NSHDSACASA-N	320.414	3.331	10	20	DGCD	
CCCCN(CC(N)=O)Cc1ccc(N2CCCCC2)c(C)c1	827424550	DBHMDBDNDKNEQX-UHFFFAOYSA-N	317.477	3.073	10	20	DGCD	
O=C(O)C1(CCCCNCc2cc(F)cc(F)c2O)CCC1	900080596	HOUCONOXUPFDTM-UHFFFAOYSA-N	313.344	3.185	10	20	DGCD	
CCN1CCC[C@@H](N[C@@H](C)c2cc(Cl)cc(C)c2O)C1=O	903389782	XFUPDQGOGNNIQX-SMDDNHRTSA-N	310.825	3.016	10	20	DGCD	
C[C@@H](CC(=O)N[C@H](C)c1ccccc1O)N1CCc2ccccc21	827952334	OILSHOTUOWQUOF-LSDHHAIUSA-N	324.424	3.411	10	20	DGCD	
CCOCc1cc(CN[C@H](C)CN2CCCCC2)ccc1OC	731449109	PCYWJAQZOISCGX-MRXNPFEDSA-N	320.477	3.196	10	20	DGCD	
C/C(=C/C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1	839917831	ICGHWDMQKCCGML-SZGZABIGSA-N	300.446	3.465	10	20	DGCD	
CC[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1	588405343	BKJMGGLCTQJNSB-ZHUYAKLQSA-N	311.381	3.421	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)C3CCC3)CC2)cc1	837358334	PVIPWHJOYNDJOV-OAHLLOKOSA-N	316.445	3.170	10	20	DGCD	
C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCc1ccc(N)cc1	841957326	HTLSPSKLVLYYOS-BEFAXECRSA-N	323.440	3.399	10	20	DGCD	
COc1cccc(O)c1CN[C@@H]1C[C@H](OC(C)(C)C)C1(C)C	840978326	NGXDMAVGDRHCHG-CVEARBPZSA-N	307.434	3.473	10	20	DGCD	
CCc1cccc(CNCc2ccc(N3CCCC3=O)cc2)c1O	848892814	HMINQYXFBZWTRN-UHFFFAOYSA-N	324.424	3.371	10	20	DGCD	
COc1cc(N2CCC[C@H](OC(C)C)C2)c([N+](=O)[O-])cc1OC	845640125	USOYMLPALXBTBK-LBPRGKRZSA-N	324.377	3.006	10	20	DGCD	
Cc1ccc(C[C@@H](C)NC(=O)NCCc2ccc(N)cc2)s1	841831564	WKLRHIVEQYJBMT-GFCCVEGCSA-N	317.458	3.112	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc3c(c2)nnn3C)cc1	842741221	VUVMHRZILQEBPX-UHFFFAOYSA-N	309.417	3.427	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@H](C)c2nc(C)cs2)c1	858358344	JIYCKIZVBFOEEI-NSHDSACASA-N	319.430	3.068	10	20	DGCD	
CCCN(CC(=O)OC(C)(C)C)Cc1ccc(OCC)cc1O	758031129	UYMNIXOMSDLXIO-UHFFFAOYSA-N	323.433	3.345	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1F	758344679	LLPYAURVBPWOKT-UHFFFAOYSA-N	319.292	3.103	10	20	DGCD	
C[C@@H]1C[C@@H](NCCC(=O)N2CCCCC2)c2c(O)ccc(F)c21	756433739	YGYRENBFOGVUJQ-TZMCWYRMSA-N	320.408	3.072	10	20	DGCD	
C[C@H]1C[C@@H](NC[C@@H](C)CN2CCCC2)c2c(O)ccc(F)c21	756422847	MQEIWGAAAJPSOM-VNHYZAJKSA-N	306.425	3.401	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC=CCC1	860647345	XNQYRSFIBQFXPU-UHFFFAOYSA-N	308.381	3.309	10	20	DGCD	
OC1CCN(c2ccc(CNCC(C3CC3)C3CC3)cc2)CC1	877072202	YCCWFZANHBBNCS-UHFFFAOYSA-N	314.473	3.174	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1ccncc1)c1ccc(N(C)C)cc1	776248917	LJLNLCBMZLSUKL-AWEZNQCLSA-N	312.417	3.050	10	20	DGCD	
COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cccc(C)c2O)C1	779605718	XSHUEDMCSBQUAR-OAHLLOKOSA-N	305.418	3.112	10	20	DGCD	
CN(C)C[C@@H](NCc1cc(F)cc(F)c1O)c1ccc(F)cc1	883120090	SNLIIXSPMLFUMZ-MRXNPFEDSA-N	324.346	3.202	10	20	DGCD	
C[C@@H](NCc1ccc(N)cc1)c1ccc(N2CCCC2=O)cc1	1120371343	WCWFYEBORWEZHP-CQSZACIVSA-N	309.413	3.246	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@H](Oc2ncccc2F)C1	787290559	OHAZIHYFHLFZQH-AWEZNQCLSA-N	320.339	3.109	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C(C)C)[C@H](O)c2ccccc2)c1	789778165	FUDXGDUDNBIKBY-RBUKOAKNSA-N	315.413	3.249	10	20	DGCD	
Cn1nc(CNCc2ccc3ccccc3c2O)cc1C1CC1	897231452	XDTICTCXLDLYCG-UHFFFAOYSA-N	307.397	3.446	10	20	DGCD	
COc1cc(C)cc(CNc2ccc(CN(C)C)cc2)c1O	894102016	XHZRHIIBPASOID-UHFFFAOYSA-N	300.402	3.383	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](C)c2c(C)noc2C)c1O	894353828	DPXGVDXSAOGLEO-LLVKDONJSA-N	304.390	3.207	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cn(CC)nc2C)cc1F	892948256	PDOLKZVBXCANBU-UHFFFAOYSA-N	318.440	3.487	10	20	DGCD	
COc1ccc(CNCc2ccc(OCC(F)F)cc2)c(O)c1	793387637	JEDPHZPAGWOQFY-UHFFFAOYSA-N	323.339	3.335	10	20	DGCD	
C[C@@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccccc1O	797132152	KQPPVOSFQDDIGI-LRTDBIEQSA-N	303.427	3.122	10	20	DGCD	
COc1ccc(CN[C@H]2CCN(C(=O)CC(C)C)[C@H]2C)cc1C	985899169	NONINSWWQGXWJZ-RDJZCZTQSA-N	318.461	3.129	10	20	DGCD	
CCCCCC(=O)NCCC1=CCN(c2ccnc(C)n2)CC1	1089803362	LBDQUPDNFSYKIH-UHFFFAOYSA-N	316.449	3.008	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNC[C@H]1COC2(CCCC2)O1	1319780152	YKACIHFCCJHNQE-SFHVURJKSA-N	316.445	3.062	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCc1cccc(C(N)=O)c1	1320419356	DUBXTSMVOXATJS-XJKSGUPXSA-N	324.424	3.180	10	20	DGCD	
C[C@@H]1C[C@@H](CNCc2ccc(Br)cc2O)[C@@H](C)O1	686514697	GZMZHENHHKLJQD-FOGDFJRCSA-N	314.223	3.058	10	20	DGCD	
COc1cc(F)cc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1	1322148885	INXONYVIYNXQGE-UHFFFAOYSA-N	322.292	3.069	10	20	DGCD	
CNCC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	63158834	GXUFBBIOTSQVEK-UHFFFAOYSA-N	303.233	3.130	10	20	DGCD	
CCc1c(C(=O)Nc2c(Cl)ccc3nonc23)ccn1C	1324290311	BHGQXWAKUYNZAM-UHFFFAOYSA-N	304.737	3.029	10	20	DGCD	
C[C@@H](NCC1(N(C)C)CCCCC1)c1cc(C(=O)O)ccc1O	1604336519	GNODKSQWKWMIAO-CYBMUJFWSA-N	320.433	3.006	10	20	DGCD	
Cc1cc(C(=O)OC2(C(=O)O)CC2)c(C)n1-c1ccc(F)cc1	1607605206	JCFUORXIMITERG-UHFFFAOYSA-N	317.316	3.007	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H]3CCC[C@@H](C(=O)O)C3)ccc21	1776876071	QQBZLLBBLXAPKS-IAGOWNOFSA-N	316.445	3.192	10	20	DGCD	
COc1cc(CN2CCN(c3cccs3)CC2)c(O)cc1C	160394151	NDNJQJUMHURJHZ-UHFFFAOYSA-N	318.442	3.093	10	20	DGCD	
CCCNC(=O)C1(NCc2cc(C)ccc2O)CCCCC1	154542757	VUXTXZCNWMSYNU-UHFFFAOYSA-N	304.434	3.019	10	20	DGCD	
COc1ccc(O)c(CNCc2cccc(Br)c2)c1	48817927	IEBFTENYBQMIJR-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
C[C@H](CN(C)Cc1ccccc1)N[C@@H]1CCc2cccc(O)c21	309696837	DSSPEYWAPNZCCC-CRAIPNDOSA-N	310.441	3.490	10	20	DGCD	
CCOc1ccc(NC(=S)NNc2cccc(OC)c2)cc1	18167659	UWNVQRYBMQOXRG-UHFFFAOYSA-N	317.414	3.407	10	20	DGCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cccs1	41529438	VUBXKWORANZRJR-UHFFFAOYSA-N	323.424	3.067	10	20	DGCD	
Oc1c(Br)cccc1CNCCOc1ccccc1	42894657	SNKVKIAJJKWTEK-UHFFFAOYSA-N	322.202	3.323	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccncc1	54125758	WXXNILFOHVNNKP-UHFFFAOYSA-N	311.410	3.481	10	20	DGCD	
CCS[C@H](C(=O)NCc1ccc(N(C)C)cc1C)C(C)C	115280514	OMQYDINKNVAVJU-INIZCTEOSA-N	308.491	3.455	10	20	DGCD	
Cc1cc(C(=O)NC[C@@H]2CCCS2)c(C)n1-c1ccccn1	131010277	GPKPAYBBENGGPS-AWEZNQCLSA-N	315.442	3.115	10	20	DGCD	
COc1ccc(N(C)Cc2nnc(C(C)(C)C)o2)c(OC)c1	131675064	WASDBVIRQDWYMY-UHFFFAOYSA-N	305.378	3.021	10	20	DGCD	
C[C@@H](NC(=O)NCCCSc1nccs1)c1cccnc1	151751769	YMLPCXBTRUZKKM-LLVKDONJSA-N	322.459	3.081	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C/c2ccc(Cl)cc2)c1	155935241	UDLAXZAMNKXRFB-RUDMXATFSA-N	317.772	3.384	10	20	DGCD	
CCOCCC1(C(=O)NCc2cc(OC)ccc2O)CCCC1	155986834	HDIBELSQFDQVIE-UHFFFAOYSA-N	321.417	3.004	10	20	DGCD	
CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1	156405292	XCFSBULRTPZRMN-UHFFFAOYSA-N	319.382	3.094	10	20	DGCD	
CC[C@@H](NCCCNC(=O)c1occc1C)c1ccccc1O	156644358	NUVDVXIONGPLKO-OAHLLOKOSA-N	316.401	3.154	10	20	DGCD	
COc1cc(CN2CCOC(C)(C)C2)c(O)c(C(C)(C)C)c1	164010393	VJKYUINENXMODH-UHFFFAOYSA-N	307.434	3.309	10	20	DGCD	
CCCN(Cc1cc(C(=O)OC)co1)Cc1ccccc1O	170779106	GHSBPMJSRQCHFQ-UHFFFAOYSA-N	303.358	3.184	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c1O	175847752	LWBMTVWFUMPVIM-TZMCWYRMSA-N	320.433	3.415	10	20	DGCD	
CC(=O)Nc1cccc2c1CCN(Cc1cccc(C)c1O)C2	179820281	KOSLKEWLBQFMJQ-UHFFFAOYSA-N	310.397	3.217	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnc2ccccc2c1	180617175	IIYLJHWEURTQDW-SOFGYWHQSA-N	306.321	3.298	10	20	DGCD	
C[C@H](NC[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1O	183371503	PBGGBFNWVPBAJG-GUYCJALGSA-N	302.393	3.485	10	20	DGCD	
C[C@H](NCCc1ccnn1C)c1ccc(N2CCCCC2)cc1	184021051	PMCNLWNDKZWNOT-INIZCTEOSA-N	312.461	3.304	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(C(C)(C)O)cc2)c1	186618556	QODBDPBSGBQXJJ-ZDUSSCGKSA-N	315.413	3.479	10	20	DGCD	
COc1ccc(N(C)CCOCC(F)(F)C(F)F)cc1F	189545471	XAVCFFXCCVMDGS-UHFFFAOYSA-N	313.266	3.188	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CCCc3cn[nH]c32)c(O)c1	268867151	UHERJHNHZCACBK-HNNXBMFYSA-N	301.390	3.071	10	20	DGCD	
CC[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(C)cc1O	280239234	VWUVIIJXFKJHEB-AWEZNQCLSA-N	308.422	3.266	10	20	DGCD	
CN1CCCN(C(=O)/C=C/c2cncs2)c2cc(F)ccc21	281685264	MOQMOHCOEFSGHB-GQCTYLIASA-N	317.389	3.169	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCC[C@H](C)OC	283554716	FJBTYOUZSUTATB-AWEZNQCLSA-N	308.422	3.129	10	20	DGCD	
COCc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)no1	297302988	BJIMXYMHHVRMFX-UHFFFAOYSA-N	317.433	3.298	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CCn4ccnc43)cc2)CC1	297600958	IAIXWMMELOQLLN-GOSISDBHSA-N	310.445	3.354	10	20	DGCD	
Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccccc2O)c1	299604108	WEGMANNLRZEEJO-UHFFFAOYSA-N	311.381	3.288	10	20	DGCD	
C[C@@H]1C[C@@H]1c1ccc(CNCc2cc([N+](=O)[O-])ccc2O)o1	725847310	ZQHVJGXOARJMGG-YGRLFVJLSA-N	302.330	3.307	10	20	DGCD	
COc1ccc2c(c1)CCCN(C(=O)c1cc(O)cs1)C2	732286636	TVYIEZPVIZJDCI-UHFFFAOYSA-N	303.383	3.051	10	20	DGCD	
CC[C@@H]1C[C@@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C	745788824	ROYLHFLTOCMWDD-RHSMWYFYSA-N	315.461	3.399	10	20	DGCD	
C[C@H](NC[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1O	756459574	PKWZZVYINZHPNY-ZFWWWQNUSA-N	303.377	3.033	10	20	DGCD	
CCCCc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1	762268644	PNMMZDNUQOEOEY-UHFFFAOYSA-N	313.397	3.413	10	20	DGCD	
C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccc(N(C)C)cc1	773018193	IFOQPJKWLJNXQK-CYBMUJFWSA-N	323.396	3.314	10	20	DGCD	
CS[C@@H]1CC[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	773337562	AZDVQCFVJUSOJN-IVMMDQJWSA-N	321.490	3.397	10	20	DGCD	
COCCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773446624	NZVNQEBQHACXFW-AWEZNQCLSA-N	321.465	3.176	10	20	DGCD	
CC(C)N1CCC(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	775409440	FVPOVYSYQHVMPC-OAHLLOKOSA-N	317.477	3.050	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@H]1OC	775457008	FCZSKSBSFLXJCT-WMLDXEAASA-N	320.433	3.129	10	20	DGCD	
Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2O)n1	780983359	MYKGTSHUUROSAA-HNNXBMFYSA-N	312.369	3.087	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2sccc12	782041078	FUEPFUZXMQEDMJ-VIFPVBQESA-N	301.371	3.146	10	20	DGCD	
CC1(C)CC(NCc2ccc(N3CCC(CO)CC3)cc2)C1	788581350	VGUYQJIIZIWMEM-UHFFFAOYSA-N	302.462	3.174	10	20	DGCD	
C[C@H](O)CN(C)Cc1ccc2c(c1)CCN2Cc1ccccc1	809639103	HCGIRMVFSRBONF-INIZCTEOSA-N	310.441	3.062	10	20	DGCD	
CC(C)(C)OC(=O)N1CCCN1Cc1c(O)cccc1Cl	811502829	ILVFLKCOXAAMLL-UHFFFAOYSA-N	312.797	3.403	10	20	DGCD	
C[C@@H]1CN(Cc2cccc(Cl)c2O)c2ccccc2C(=O)N1	811508787	CHAZQBXYDHLREP-LLVKDONJSA-N	316.788	3.184	10	20	DGCD	
OC[C@@H](CNCc1ccc2ccccc2c1O)Cc1ccco1	816556145	BBDRIBDCHPSBCZ-CQSZACIVSA-N	311.381	3.079	10	20	DGCD	
CON1CCC(N[C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1	817588379	ONEHEJNRNILIEM-VIFPVBQESA-N	319.232	3.375	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C(=O)O)CC[C@H]2C)cc1	817881157	PEYMUBSSQYOOBA-ZBFHGGJFSA-N	304.434	3.218	10	20	DGCD	
CC[C@@H](Cc1cccs1)NC[C@H](N)c1ccc(N(C)C)cc1	817941127	JCZHDNYUFDHOLB-YJBOKZPZSA-N	317.502	3.425	10	20	DGCD	
COc1cccc(O)c1CNCCC(C)(C)C(=O)OC(C)(C)C	818227919	NCLBQXXNESBFTD-UHFFFAOYSA-N	323.433	3.248	10	20	DGCD	
COc1ccc(O)c(CNCCC(C)(C)C(=O)OC(C)(C)C)c1	822498556	ZYXQWEPZQGBZGR-UHFFFAOYSA-N	323.433	3.248	10	20	DGCD	
CC(C)[C@@H](O)CNCc1ccc(N(C)Cc2cccs2)cc1	823866945	VDIFJDVJCOQGKI-SFHVURJKSA-N	318.486	3.491	10	20	DGCD	
COc1cccc(O)c1CN(C)[C@H](CO)c1ccc(Cl)cc1	824691196	XZLLBMDRWZUSDL-OAHLLOKOSA-N	321.804	3.220	10	20	DGCD	
CC[C@@H](C)n1nc(C(=O)N[C@H](C)c2ccccc2O)cc1C	827940499	DQNCCVDBDARFDE-DGCLKSJQSA-N	301.390	3.359	10	20	DGCD	
COc1ccc2c(c1)[C@H](C(=O)N[C@H](C)c1ccccc1O)CC2	827946817	SKFAGRIOHVCNTC-MLGOLLRUSA-N	311.381	3.308	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)c1	840110886	VCROUEYJAQTNFZ-OAHLLOKOSA-N	318.461	3.123	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c(O)c1	840392910	QQMOMQGBCGOCQQ-BBRMVZONSA-N	318.417	3.026	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cc(Cl)ccc2F)cc1	841044933	GFNCVMJDOUMQSM-KRWDZBQOSA-N	321.827	3.335	10	20	DGCD	
CO[C@H](CC(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1O	841436122	IXEPCBBPKRPVMP-GFCCVEGCSA-N	320.216	3.376	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCN(C(C)(C)C)C2=O)c2c(O)ccc(F)c21	842885796	PIFZSSQSHLQTEG-RTXFEEFZSA-N	320.408	3.069	10	20	DGCD	
COc1ccc(N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1	844353156	PKWBIQINXIULAG-UHFFFAOYSA-N	320.320	3.388	10	20	DGCD	
CC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)[C@H](C)CO1	844734869	ZYWGZEJXQRMJJA-DOMZBBRYSA-N	307.434	3.395	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H]2COc3ccccc3C2)c1O	846143489	JBAVFOADPWQJKB-UONOGXRCSA-N	313.397	3.303	10	20	DGCD	
c1ccc(-n2ncnc2COc2ccc(N3CCCC3)cc2)cc1	853675486	TZWRVYOIOKFOLV-UHFFFAOYSA-N	320.396	3.447	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@H]1CCCN1CC(F)F	862468513	JZLIJJMKVJBCFB-SNVBAGLBSA-N	322.758	3.004	10	20	DGCD	
CCCOc1cccc(CC(=O)NCc2cc(C)ccc2O)c1	862757937	JGHRAYGEABAEEH-UHFFFAOYSA-N	313.397	3.348	10	20	DGCD	
Cc1cc(NCc2cc(F)c(N(C)C)cc2F)ccc1C(N)=O	864004038	DJLBCIWXEQLAII-UHFFFAOYSA-N	319.355	3.050	10	20	DGCD	
CN=[S@@](C)(=O)c1cccc(NCc2cc(C)ccc2O)c1	864014891	ZCZHZHRSSHJUGX-NRFANRHFSA-N	304.415	3.399	10	20	DGCD	
C[C@@H](NC(=O)Nc1nnc(C2CC2)s1)c1ccccc1O	866161835	YBNUVXDQHXDEKL-MRVPVSSYSA-N	304.375	3.004	10	20	DGCD	
CS[C@@H]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	877068159	MWZWDUSNWLPKJE-CRAIPNDOSA-N	320.502	3.021	10	20	DGCD	
CC[C@](C)(NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1	877132965	SEULLCLQDMVOTQ-SFHVURJKSA-N	300.377	3.392	10	20	DGCD	
COCCc1ccccc1NC(=O)N[C@H](C)c1ccccc1O	879331501	IEAQQDXWGMZPND-CYBMUJFWSA-N	314.385	3.464	10	20	DGCD	
CC[C@H](N[C@H](CO)C[C@H]1CCCO1)c1cc(Cl)ccc1O	886669602	BBOOXUVWNSAPSZ-GUTXKFCHSA-N	313.825	3.016	10	20	DGCD	
COc1cc(C)cc(CNC[C@H]2COc3ccccc3C2)c1O	894136730	CWNSJTWOZNTCBM-AWEZNQCLSA-N	313.397	3.050	10	20	DGCD	
COc1cc(C)cc(CNc2ccn(CC(F)(F)F)n2)c1O	894412486	NRSHYCUWIDIFQM-UHFFFAOYSA-N	315.295	3.080	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CN1C[C@@H]2C[C@H]2C1	895390753	XQMYKJVPPCUAQI-YUMQZZPRSA-N	302.599	3.260	10	20	DGCD	
CCNC(=O)c1cccc(CNCc2ccc3c(c2)CCCO3)c1	921573483	UAZJENCYFWPJJN-UHFFFAOYSA-N	324.424	3.051	10	20	DGCD	
c1csc(SCCCNCc2cnn(CC3CCC3)c2)n1	921755191	QNHIVCUUTYGKCJ-UHFFFAOYSA-N	322.503	3.412	10	20	DGCD	
COc1ccc(CNCCNC(=O)CCC2CCCC2)cc1C	1122859215	NFPANYNJZFJFQZ-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@H](N2CCCCC2)C1	1204327378	RPFOWQZPPNNUSB-FQEVSTJZSA-N	313.489	3.347	10	20	DGCD	
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccc(F)cc1	1320064452	UDRWXPQNSANQOP-AWEZNQCLSA-N	303.333	3.426	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCC1CCOCC1	1321839155	JVMCFLCFVRFPGX-UHFFFAOYSA-N	320.433	3.131	10	20	DGCD	
C[C@@H](CNCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C	1327681363	YYCFWRKVEMDNKQ-HNNXBMFYSA-N	318.461	3.354	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC(Oc2ccccc2)CC1	1337007667	JUJYDFZUGJIBMB-UHFFFAOYSA-N	303.383	3.137	10	20	DGCD	
COc1cccc(CNCc2c(Cl)cccc2N(C)C)c1O	1343326275	HRDDXRMPKMVFEI-UHFFFAOYSA-N	320.820	3.410	10	20	DGCD	
COc1cc(CN2[C@H]3CC[C@H]2CC(=O)C3)c(O)c(C(C)(C)C)c1	1352824954	FZOHROBAHKVTOB-KBPBESRZSA-N	317.429	3.394	10	20	DGCD	
O=C(O)[C@@H]1C[C@H](N[C@H]2CCc3cccc(O)c32)c2ccccc21	1594900420	OBDKHNXVUHCFJQ-PMPSAXMXSA-N	309.365	3.282	10	20	DGCD	
Cc1cccc2c1CCN(Cc1ccc(N(C)C)cc1)[C@@H]2C(=O)O	1777458953	RYUOALDFBFFDKM-IBGZPJMESA-N	324.424	3.245	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	37042561	PXKATQDXNVJWIF-YPMHNXCESA-N	300.324	3.049	10	20	DGCD	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(O)c1O	40817972	JUSFHTKPBZNYNQ-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
CN1CCC(N2C(=O)/C(=C/c3cccs3)SC2=S)CC1	63824307	RJIUAYCLTJTZPF-XFXZXTDPSA-N	324.496	3.044	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@@H](O)COc1ccccc1	68973690	BGKYKXYVSIHNFQ-QGZVFWFLSA-N	315.413	3.044	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(Cl)nc(N)n2)cc1	79942792	RTBBNSRSYDYUON-UHFFFAOYSA-N	305.813	3.171	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cccs2)c1	103505255	INLMAGGWJLYEHO-LLVKDONJSA-N	320.414	3.065	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccncc2F)cc1F	133251463	KFLJRFLSLVOLJN-UHFFFAOYSA-N	319.355	3.136	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)c(F)c1	152981977	ANTOGGKWPOUONV-SECBINFHSA-N	322.311	3.129	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NOCc2cccnc2)cc1	153296318	WNVJFCWLDOLZBC-UHFFFAOYSA-N	321.380	3.351	10	20	DGCD	
CC[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1ccccc1O	156961095	BQBFSUMMKRRSSK-WMZOPIPTSA-N	303.377	3.480	10	20	DGCD	
COc1cc(CN2CCC[C@H]2C[C@@H](C)O)c(O)c(C(C)(C)C)c1	164601736	RHIFCBHKJNVAFK-HIFRSBDPSA-N	321.461	3.434	10	20	DGCD	
CCC[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	182904143	NAHBLUDYVDRUDE-FUHWJXTLSA-N	318.461	3.306	10	20	DGCD	
C[C@H](NCCc1cccnc1)c1cc(Br)ccc1O	184980134	OIVYIWSQUBVKES-NSHDSACASA-N	321.218	3.443	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c(O)c1	185184359	ZLBQVIREFXGLIN-GJZGRUSLSA-N	312.413	3.056	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCN(c3ncccc3F)C2)c1	185686642	LDKLFHWNESRZHN-KBPBESRZSA-N	315.392	3.164	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@H](C)c2ccc(F)cc2O)cc1	185825958	UEUOLYVCIRWIAQ-PXAZEXFGSA-N	319.376	3.314	10	20	DGCD	
COc1ccc(N2CCCN(Cc3cncc(C)c3)CC2)cc1	189801160	QGOSTPFSBXMEQM-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1Cc2ccccc2O1	248084589	DKBMBNLLUPQSFQ-IBGZPJMESA-N	324.424	3.105	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCN2CCCC[C@@H]2C)c1	248531605	PBBMCDCJHNLBLE-LSDHHAIUSA-N	306.450	3.316	10	20	DGCD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCCc1ccc(N)cc1	262573448	GRPYEHLLYMGRRW-QGTPRVQTSA-N	318.461	3.301	10	20	DGCD	
COc1cccc(N2CC[C@@H](N[C@@H](C)c3ccccc3O)C2)c1	272831033	HXJTUFCFCCSTLC-LSDHHAIUSA-N	312.413	3.330	10	20	DGCD	
COCCCCNCc1ccc(N(C)C)cc1C(F)(F)F	279900497	LHBDDAXHVCLXFX-UHFFFAOYSA-N	304.356	3.288	10	20	DGCD	
C[C@@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O	287136570	RYJCBBNPAVCNFL-DYVFJYSZSA-N	302.393	3.485	10	20	DGCD	
CCOCc1cc(CN[C@H](C)c2cnn(CC)c2)ccc1OC	294900269	RMSZNZLIFPPYSH-CQSZACIVSA-N	317.433	3.299	10	20	DGCD	
COC1CCN(c2ccc(CN3CCS[C@H](C)C3)cc2)CC1	296963778	CUACXWHRBZVMPX-OAHLLOKOSA-N	320.502	3.239	10	20	DGCD	
CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1F	301253392	CIABXVSFOSRMDV-UHFFFAOYSA-N	324.743	3.460	10	20	DGCD	
C[C@H](NC[C@@H]1CCCC[C@H]1C(=O)O)c1ccc(N(C)C)cc1	316310520	KLVDBCIKEFEJKH-JLJPHGGASA-N	304.434	3.294	10	20	DGCD	
C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc(N2CCOCC2)cc1	367969368	ZARAQYHPQBJPDT-MGPUTAFESA-N	324.424	3.135	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	437015797	GHOPBCCJQBXYRO-KKUMJFAQSA-N	314.429	3.304	10	20	DGCD	
CC[C@H]1CCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	450045129	FTLUHEPAOWFSDP-DZGCQCFKSA-N	302.418	3.304	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C)C3)cc2)CC1	731120983	JMFMNXRMWUAAGW-INIZCTEOSA-N	315.461	3.474	10	20	DGCD	
CCC(CC)[C@@H](CCNCc1cc2c(cc1O)OCO2)OC	746760881	JHNDYDKEEPDVNP-OAHLLOKOSA-N	309.406	3.052	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2c[nH]nc2C)c1C	747875111	JXVGECUEPLJJRD-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
CN(C)c1c(Cl)cccc1NC(=O)NCc1ccccc1O	748449252	VVTSFCNAEZASJF-UHFFFAOYSA-N	319.792	3.433	10	20	DGCD	
O=C(NCc1cc(-c2ccccc2)no1)NCc1ccccc1O	748460912	SCGRRYXVPIWMDH-UHFFFAOYSA-N	323.352	3.047	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccncc1	751298664	DJZRKLXQBRWLJJ-UHFFFAOYSA-N	315.336	3.044	10	20	DGCD	
CC(C)C[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	752214828	ZCQFAXLUVCEBOC-CQSZACIVSA-N	303.450	3.303	10	20	DGCD	
COCCOC[C@H](C)N[C@@H](C)c1ccc2ccccc2c1O	756731512	BZGKGOXSVXDJOA-KBPBESRZSA-N	303.402	3.248	10	20	DGCD	
Oc1cccc(Cl)c1CNc1nnc(-c2ccncc2)o1	764922089	VUCOGOANVBYRCC-UHFFFAOYSA-N	302.721	3.103	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@H]1CCCCN1C1CC1	766224103	LMVSCQUCUAPTCF-GFCCVEGCSA-N	312.816	3.291	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)o1	771824182	TZZJMHCGFRJPEH-INIZCTEOSA-N	313.445	3.191	10	20	DGCD	
CC[C@@H](NCCCNc1ncccn1)c1cc(Cl)ccc1O	775512974	UYEPTOBCHHUMKG-CQSZACIVSA-N	320.824	3.379	10	20	DGCD	
Oc1ccccc1CN(Cc1ccco1)c1ncnc2[nH]ccc12	775683587	WNLJTIMQFJLREM-UHFFFAOYSA-N	320.352	3.463	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)c(O)c1O	780970728	XTACHHPYTIRMEW-UHFFFAOYSA-N	313.353	3.372	10	20	DGCD	
CO[C@]1(C(F)(F)F)CCCN(Cc2cccc(C)c2O)C1	783718771	RTXWOYFLAGYZTM-CQSZACIVSA-N	303.324	3.244	10	20	DGCD	
COc1ccc(N2CCC(Nc3nnc(C(F)F)o3)CC2)cc1	787896405	IGZFSQVMZYQYCA-UHFFFAOYSA-N	324.331	3.097	10	20	DGCD	
CCc1cccc(NC(=S)NCc2ccc(OC)cc2O)c1	795032452	SQILGTQYWSHZGK-UHFFFAOYSA-N	316.426	3.450	10	20	DGCD	
O=C(COC(=O)[C@H](F)CC1CCCCC1)c1ccc(O)c(O)c1	796205949	LAEYSIGFPQIOKI-CYBMUJFWSA-N	324.348	3.132	10	20	DGCD	
C[C@@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc(F)cc1O	797131398	GBRRZZIMBCFZDQ-IPQOISQHSA-N	321.417	3.261	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](OCCOC)C2)cc1	802651839	DCZVXUIRTBZHIH-LJQANCHMSA-N	320.477	3.160	10	20	DGCD	
CN(C)c1ccc(CNc2nc(C(F)(F)F)ns2)cc1F	804391790	CQTBDOIASOJQMY-UHFFFAOYSA-N	320.315	3.374	10	20	DGCD	
CC(=O)N1CCC[C@H](CN[C@@H](C)c2cc(Cl)cc(C)c2O)C1	808717319	BZISFJLXBWHDCL-GXTWGEPZSA-N	324.852	3.263	10	20	DGCD	
C[S@](=O)Cc1ccc(CNCc2cccc(Cl)c2O)cc1	809718385	JFVVZYCUTSOPIG-NRFANRHFSA-N	323.845	3.214	10	20	DGCD	
Cc1cccc2c1OC[C@H](NCc1cc(Cl)ccc1O)C2	810178940	ZKUOTBQZBGVACO-OAHLLOKOSA-N	303.789	3.447	10	20	DGCD	
CC[C@@H](NCc1cnn(C)c1)c1ccc(C(F)(F)F)cc1O	810212412	ARLVHNAXJOOXBY-CYBMUJFWSA-N	313.323	3.385	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2cccc(CO)c2)C2CC2)cc1	813406100	HHASCRNMJSFAKC-UHFFFAOYSA-N	324.424	3.050	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@@H]2CNC[C@H]2C1)c1ccc(N(C)C)cc1	817985206	HCAZQOXKPRKMNF-MTNOOBJLSA-N	301.478	3.181	10	20	DGCD	
CCN(C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@@H](C)CO	818635076	XJVAYQFDEOSUJG-ZDUSSCGKSA-N	318.392	3.076	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CCOC3(CCC3)C2)c1	824751453	XJJXLWXLPCDEOP-KGLIPLIRSA-N	305.418	3.401	10	20	DGCD	
Cc1cc(O)c(CNc2ccc(N(C)CCO)cc2)cc1Cl	825003143	PMSHVMOOTAGKCN-UHFFFAOYSA-N	320.820	3.395	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cccc(Br)c2O)c2nccn21	825017676	XDBWVJZTRWCUSP-BXKDBHETSA-N	322.206	3.147	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@@H]1CCO[C@@H](c2ccccn2)C1	825086020	OSKQXFPHDYNYCK-RHSMWYFYSA-N	318.804	3.451	10	20	DGCD	
COc1ccc(C)c2c1N(C(=O)/C=C(/C)c1cnccn1)CCC2	825666289	ZXZCCBVDDVNLJN-KAMYIIQDSA-N	323.396	3.176	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Cl	826048660	JSPBXGZXTCHCEB-FVQBIDKESA-N	309.837	3.479	10	20	DGCD	
CO[C@@H]1CCC[C@H]1N[C@H](C)c1cc(Br)ccc1O	834886802	NEEZYJLBGKYDDU-GAJTVXKRSA-N	314.223	3.373	10	20	DGCD	
C[C@H](Cc1cnn(C)c1)N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	834896282	JOPOFHDGXWCLFF-JTNHKYCSSA-N	303.381	3.034	10	20	DGCD	
CN(C)CC(C)(C)NCc1ccc(N(C)C)cc1C(F)(F)F	835070648	UKDMMLAIOHAGDI-UHFFFAOYSA-N	317.399	3.201	10	20	DGCD	
FC(F)COC1CN(Cc2ccc(N3CCCCC3)cc2)C1	839140930	REXWWKLLXSAFPE-UHFFFAOYSA-N	310.388	3.143	10	20	DGCD	
COC(=O)c1cc(CN[C@H](C)c2cc(OC)ccc2O)cs1	839538789	GOAQIBGYDXTILS-SNVBAGLBSA-N	321.398	3.100	10	20	DGCD	
Cc1noc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2C)n1	840946554	QZGBSFSQPLSQBW-QGZVFWFLSA-N	314.433	3.480	10	20	DGCD	
Cc1ccccc1NC(=O)C[C@H](C)NCCc1ccc(N)cc1	841037169	YVVZHTLXYGITLY-HNNXBMFYSA-N	311.429	3.127	10	20	DGCD	
C[C@@H](CCCCN)NCc1ccc(N(C)C)cc1C(F)(F)F	841079880	NYKFSCNFSODFJL-LBPRGKRZSA-N	317.399	3.379	10	20	DGCD	
CCCCN1CCCC[C@H]1CNC(=O)Nc1ccc(N)cc1	841299451	DNZJDSOALLBMBI-INIZCTEOSA-N	304.438	3.045	10	20	DGCD	
Cc1cccc(CN[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O	843417459	UOQXQBIXDRBHCD-UONOGXRCSA-N	322.449	3.482	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H]3[C@@H](C2)C3(F)F)c(C(F)(F)F)c1	846114387	UZTMSUFSRSACAO-CHWSQXEVSA-N	320.305	3.468	10	20	DGCD	
CCCn1nccc1CNCc1ccc(N(CC)CC)cc1	850034500	LBGBGVMTLSCAND-UHFFFAOYSA-N	300.450	3.429	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@H](O)[C@@H](C)c2ccccc2)c1	850412126	SYQLCDPZQYNMCJ-LIRRHRJNSA-N	315.413	3.045	10	20	DGCD	
NC[C@H]1CN(Cc2cccc(Cl)c2O)CC[C@@H]1C(F)(F)F	863645978	OZHJDYCLPVBECJ-QWRGUYRKSA-N	322.758	3.005	10	20	DGCD	
CCCOc1ccc(CNC[C@H](CC2CC2)C(=O)O)cc1C	871874275	KAZBFEZKILESNH-INIZCTEOSA-N	305.418	3.374	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2cc(Cl)no2)C2CC2)cc1	873967414	FAEFGUVPFADMNV-UHFFFAOYSA-N	319.792	3.199	10	20	DGCD	
CC[C@@H]1C[C@@H](C)CN1Cc1ccc(N2CCC(O)CC2)cc1	876748067	ULGVRTPLDXSCOZ-NVXWUHKLSA-N	302.462	3.268	10	20	DGCD	
CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)c(F)cc1O	877842919	LULLXKGJZZXSNS-AWEZNQCLSA-N	306.724	3.063	10	20	DGCD	
COC(=O)c1cc(CN[C@H](C)c2ccccc2O)c(C)s1	879648452	PVLYZOFKWRYRHH-SNVBAGLBSA-N	305.399	3.400	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1c(O)cccc1F	886601603	XNZMRRNJLJKNKL-QWRGUYRKSA-N	312.385	3.095	10	20	DGCD	
COc1ccc(CN[C@@H]2CCCc3occc32)c(O)c1OC	892552188	SODSAHSEFYWACA-CYBMUJFWSA-N	303.358	3.170	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(C3CC3)n(C)n2)cc1	922955729	VVUIHYQVUZSXKH-UHFFFAOYSA-N	312.461	3.434	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C1(Cl)CC1	924795905	RDUILZQAIBIJGY-KGLIPLIRSA-N	308.853	3.334	10	20	DGCD	
CO[C@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)C12CCC2	1261295593	DJAXYTFLLMPUAC-ROUUACIJSA-N	300.446	3.334	10	20	DGCD	
CCCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1321386462	DYJWLKSEKAMYDH-MAUKXSAKSA-N	317.477	3.194	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCC1CCN(C2CC2)CC1	1322147860	CAAWLBNVSFMPGC-UHFFFAOYSA-N	313.489	3.251	10	20	DGCD	
CCN(OC)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	1348242262	VCDDABQNTHWWKH-UHFFFAOYSA-N	302.374	3.126	10	20	DGCD	
Cc1cc(Sc2ncc(Cl)s2)ccc1-c1nn[nH]n1	1581044823	RAFRBSOFXYGBLP-UHFFFAOYSA-N	309.807	3.436	10	20	DGCD	
C[C@@H]1CCCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	1604730117	ICVXBFLDRHIULC-XYLWRLHESA-N	304.346	3.319	10	20	DGCD	
CCC[C@@H](CCCCNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776755944	FLHQNBKPFKKKSI-LBPRGKRZSA-N	324.377	3.061	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)C2CCCC2)cc1F	1776860456	IRECOJQJGOCOPS-QGZVFWFLSA-N	322.424	3.405	10	20	DGCD	
COc1cccc(CNC(=O)c2cccc3c(C)c(C)[nH]c23)c1O	105651809	WQRIJXVSZGVGPQ-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H]2CCCC[C@H]2C)c1O	174339602	ZLNOZVLTFNCGSP-OLZOCXBDSA-N	306.406	3.026	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccccn1	66697432	WXINHPKTCJWUBE-AWEZNQCLSA-N	313.401	3.470	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2C[C@H]3CCCC[C@H]3C2)cc1F	78917969	ROCWWJRMRAPTMB-GASCZTMLSA-N	319.424	3.223	10	20	DGCD	
CC[C@H](C)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1	122690345	OTEPGUPAUZQPDV-AWEZNQCLSA-N	321.490	3.180	10	20	DGCD	
CC[C@@H](C)[C@H](O)CN[C@@H](C)c1cc(Br)ccc1O	185438127	YBEPKMUIOWCNDU-ISTVAULSSA-N	316.239	3.212	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C(C)(C)c1ccc(F)cc1	136942926	VFSZHYBXTYEIOY-UHFFFAOYSA-N	301.361	3.468	10	20	DGCD	
COc1cc(Cl)cc(CNCCN(C(C)C)C(C)C)c1O	228668651	OPSCIOIYZNCWFE-UHFFFAOYSA-N	314.857	3.263	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(C)c2ccc(F)cc2)cc1F	195201017	NZFREQJXCAFXLQ-UHFFFAOYSA-N	319.355	3.377	10	20	DGCD	
CSC1(CNCc2cccc(Br)c2O)CC1	193658561	YABSOZZEQFSUBN-UHFFFAOYSA-N	302.237	3.140	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc2ccccc2s1	96968121	HHEHYTZIXNMJDE-UHFFFAOYSA-N	313.378	3.285	10	20	DGCD	
Cc1cccnc1CN(Cc1ccccc1O)C[C@H]1CCCO1	93193166	OEFXRBODIFSOPD-QGZVFWFLSA-N	312.413	3.277	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C2CC2)on1	248108844	JLQDOZXQLOBNCN-UHFFFAOYSA-N	313.401	3.280	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2nc[nH]c2C)c1C	267094216	MWDPIYPBDGQOAY-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
CCNC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCCC2)cc1	268716624	IUYOVVOHGCPEIQ-CVEARBPZSA-N	317.477	3.242	10	20	DGCD	
O=C(CC1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1	363198149	AFEBRZJZSUOMAO-UHFFFAOYSA-N	324.371	3.173	10	20	DGCD	
Oc1ccccc1CN(Cc1ccc(F)cn1)C[C@H]1CCCO1	276198331	JCVLUEPMWGHOLX-QGZVFWFLSA-N	316.376	3.108	10	20	DGCD	
Oc1ccc(Br)cc1CN1CCC[C@@H]1c1ncc[nH]1	375355814	XQKPAJSBXYMPIX-GFCCVEGCSA-N	322.206	3.215	10	20	DGCD	
CCOc1ccc(O)c(CNCCCc2cccc(C)n2)c1	285711159	WKMPGMAEVACGFF-UHFFFAOYSA-N	300.402	3.217	10	20	DGCD	
CC[C@H](N[C@@H](CCO)COC)c1cc(Cl)cc(Cl)c1O	287281808	BMOZJFBDIMEDOU-GWCFXTLKSA-N	322.232	3.137	10	20	DGCD	
CC[C@@H](NCCCNC(=O)C(C)C)c1cccc(Cl)c1O	806148998	NJSDAQLJGLLRPY-CQSZACIVSA-N	312.841	3.249	10	20	DGCD	
C[C@H](N[C@H](C)CCCCO)c1cc(Br)ccc1O	296236007	CGSSYTUOFFSJGO-MNOVXSKESA-N	316.239	3.356	10	20	DGCD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	800328532	OJZHBPOZCUVPRO-DAYGRLMNSA-N	316.445	3.107	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1c[nH]c2nccnc12	290443172	NYVWSOZJPFNWAL-UHFFFAOYSA-N	323.444	3.435	10	20	DGCD	
COc1cccc(CNc2cnn(C)c2-c2ccccc2)c1O	808424428	FBPUFUOAAFGHCA-UHFFFAOYSA-N	309.369	3.413	10	20	DGCD	
CCCn1ccnc1CCCN(C)Cc1cc(OC)ccc1O	809754768	AOIWREMUUVUDJN-UHFFFAOYSA-N	317.433	3.072	10	20	DGCD	
CO[C@H](C)CN(C)Cc1ccc(OCc2ccccc2)cc1O	809717380	GYZXLMUPQHAQIT-OAHLLOKOSA-N	315.413	3.438	10	20	DGCD	
COc1ccc(O)c(CNc2cnc(-c3ccccc3)cn2)c1	813593649	DWGZLIPTWVQWTN-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncccc1Cl	814103756	VBVNWFFVAZOJHG-UHFFFAOYSA-N	317.820	3.463	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2F)c1	728938768	PZDHXRFTBGXRDV-SNVBAGLBSA-N	304.321	3.423	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](CO)NCc1cc(Cl)c(F)cc1O	816550440	RCUXXEIFFLTUPY-BDJLRTHQSA-N	323.795	3.439	10	20	DGCD	
Cc1nc(NCc2ccc(N(C)C)cc2)ccc1-c1cnn(C)c1	824445779	NIQFCRGGNKQILW-UHFFFAOYSA-N	321.428	3.469	10	20	DGCD	
COc1ccc2c(c1)[C@@H](C(=O)N[C@H](C)c1ccccc1O)CC2	827946820	SKFAGRIOHVCNTC-WBMJQRKESA-N	311.381	3.308	10	20	DGCD	
CC(C)c1nnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1	827457886	KKEQIDOMSXISRC-ZDUSSCGKSA-N	316.405	3.203	10	20	DGCD	
Cc1cc(O)c(CNCc2nnc(C3CC3)s2)cc1Cl	826124015	YMDXWVLIJVFSIQ-UHFFFAOYSA-N	309.822	3.373	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1cccc(F)c1)c1c(O)cccc1F	903310564	ZJHORLBYZAUXGK-PIGZYNQJSA-N	307.340	3.229	10	20	DGCD	
C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1	903447737	BUDQXFCOXAWCEH-XJKSGUPXSA-N	318.490	3.163	10	20	DGCD	
CN(Cc1ccccc1O)S(=O)(=O)CCC1CCCCC1	830609669	LOKUGHBBMNYBPZ-UHFFFAOYSA-N	311.447	3.124	10	20	DGCD	
COc1cccc([C@@H]2CCCN2C(=O)c2cc(O)cs2)c1	731867547	WSZYJDNBWMEWJM-AWEZNQCLSA-N	303.383	3.440	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCN(c2ccc(Cl)cc2)CC1	732279376	JYKKMEQWNQAAEZ-UHFFFAOYSA-N	322.817	3.070	10	20	DGCD	
Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)c2ncccc2c1	917716107	NKTKVLATDRXUNE-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCC(=O)CC3)c2C)c1	913623101	DYIUDQBRFQTSNY-UHFFFAOYSA-N	310.397	3.208	10	20	DGCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCC[C@H]1C(C)(C)C	841688445	HPDMIKCACOBFDI-INMHGKMJSA-N	319.445	3.465	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccc(O)c1	840556088	KXQAPTXYOMQMPY-AWEZNQCLSA-N	312.413	3.128	10	20	DGCD	
C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)[C@@H]1CCN	844902102	NKKKRONGSYQLHW-QMTHXVAHSA-N	300.805	3.134	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cccc(C(=O)N(C)C)c1	918735779	AHGWOJYQAWKQPC-UHFFFAOYSA-N	324.424	3.350	10	20	DGCD	
CC[C@@H](N[C@@H](CO)CCF)c1ccc(C(F)(F)F)cc1O	846096657	JMIANYDKOJHBAU-ZYHUDNBSSA-N	309.303	3.172	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)[C@@H](O)c2cccc(F)c2)c1O	846153199	FXWQDKCAQBSRMO-NVGCLXPQSA-N	319.376	3.313	10	20	DGCD	
CCc1cccc(CNCc2cccc(Cn3cccn3)c2)c1O	848895187	SAEQIDOEYDYGPY-UHFFFAOYSA-N	321.424	3.489	10	20	DGCD	
CC(C)C[C@H](CCO)CN[C@@H](C)c1cc(F)cc(F)c1O	756624903	HGOFDJFZZMWOQJ-RYUDHWBXSA-N	301.377	3.366	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)c(O)c1	756762906	SUGFQHGOPRNYFL-YOEHRIQHSA-N	316.445	3.285	10	20	DGCD	
CC[C@H](C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1	851641316	KCVBGHHZBQKSDA-LBPRGKRZSA-N	317.458	3.482	10	20	DGCD	
C[C@@H](Nc1cnn(-c2ccccn2)c1)c1cc(F)cc(F)c1O	756858250	SMUQOHCNQQGKFY-SNVBAGLBSA-N	316.311	3.424	10	20	DGCD	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cccc(O)c1O	758560089	UWRRREGPVMFPEG-SNVBAGLBSA-N	317.297	3.232	10	20	DGCD	
C[C@@H](NCCC(=O)Nc1ccccc1)c1cc(F)cc(F)c1O	756575803	QLDACWNLZIFUSO-LLVKDONJSA-N	320.339	3.350	10	20	DGCD	
Oc1cc2c(cc1CNC1(Cc3ccccc3)CCC1)OCO2	760719407	WEKYFNQBMRQDSU-UHFFFAOYSA-N	311.381	3.376	10	20	DGCD	
C[C@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(O)c(O)c1	866770613	ZVBBGIQGHOAHBY-GFCCVEGCSA-N	317.360	3.122	10	20	DGCD	
Cc1cc(CN(Cc2ccco2)Cc2ccccc2O)nn1C	767899006	KJTPJKQDBQNEKG-UHFFFAOYSA-N	311.385	3.230	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)c3ccn(C)n3)c2C)c1	863161413	MQQBKEMGLUOROQ-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1Cc2ccccc2[C@H]1O	1120361739	BFFWLAPBFTYCIR-VXHCAWKWSA-N	309.409	3.497	10	20	DGCD	
CCn1c([C@@H](C)SC)nnc1N(C)Cc1ccccc1O	1121735004	WBBLJNRWVDHIPJ-LLVKDONJSA-N	306.435	3.064	10	20	DGCD	
Nc1ccc(CCNC(=O)N(CCc2ccccc2)C2CC2)cc1	1120541585	ADBSVARZEKEEFE-UHFFFAOYSA-N	323.440	3.228	10	20	DGCD	
COc1cc(F)c(NCc2c(O)cccc2OC)cc1OC	770411599	FCEGJVWLJPDBFW-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
COc1ccc(COCCN[C@@H](C)c2c(O)cccc2F)cc1	886542738	FFJYWRHVPKULAW-ZDUSSCGKSA-N	319.376	3.407	10	20	DGCD	
COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C	787420685	KNMLHKLBSPVIPU-LDYMZIIASA-N	318.200	3.082	10	20	DGCD	
CCOc1cccc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)c1	789964280	VCRRGCXTURPJHL-JTQLQIEISA-N	319.332	3.127	10	20	DGCD	
CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1	799383216	GRQFUCISXUIMBE-JJRVBVJISA-N	319.449	3.023	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(C3CC3)no2)cc1	799316059	SCGHIYYYVBHRDX-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
Cc1cccc2sc(NC(=O)c3c(F)ccc(O)c3O)nc12	790069895	FUTXNGJUMHLCMY-UHFFFAOYSA-N	318.329	3.407	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1nocc1C	1325655249	JFAQTBSQUCZNMG-CYBMUJFWSA-N	316.405	3.110	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccc(C)n(C)c1=O	1321348818	SUNDKZCVQVMJIM-SWLSCSKDSA-N	312.413	3.046	10	20	DGCD	
CCOC(=O)N1CC[C@H](N[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1	1338185064	CZHZFFRWCOIOFM-HZSPNIEDSA-N	318.417	3.069	10	20	DGCD	
Cc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1262603935	ZVYOCNGLFHUQFJ-MRXNPFEDSA-N	309.413	3.276	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1cccc2c1CCCC(=O)N2	1600832044	JSLUPEFQGONDRR-UHFFFAOYSA-N	315.325	3.140	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)O)c2C)c1	1600508597	QXBWUUPEHSWJNI-ZDUSSCGKSA-N	301.342	3.032	10	20	DGCD	
Cc1cc(CN2CCC[C@]2(C)C(=O)O)ccc1N1CCCCC1	1594302653	BRXBHEKVRHWWKD-LJQANCHMSA-N	316.445	3.424	10	20	DGCD	
CCN1CCCc2cc(CNCC[C@@H](C)CC(=O)O)ccc21	1776875531	NKWICYYCXPYZEY-CQSZACIVSA-N	304.434	3.050	10	20	DGCD	
COc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1F	205511560	KOYWZBPFKRRMES-NTEUORMPSA-N	320.389	3.337	10	20	DGCD	
CC[C@@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccccc1O	156780899	NNRFVIFKOUESMJ-FRFSOERESA-N	307.459	3.488	10	20	DGCD	
C[C@@H]1SCC[C@@H]1NCc1cccc(Br)c1O	309783730	NNFCAUUVYBYZOY-KWQFWETISA-N	302.237	3.138	10	20	DGCD	
COCCCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1	108294252	FOAGILSWQIMPPX-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cncc3ccccc23)c1	103529435	HATZKBGZAMKCSQ-LBPRGKRZSA-N	322.364	3.440	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1C	178617708	ZCKRFEJRJRWPCF-UONOGXRCSA-N	301.434	3.009	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)C[C@H]3CCOC3)c2c1	176101750	ZODTXXWNRKVKJX-CYBMUJFWSA-N	301.386	3.022	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c(O)c1O	182453030	ZPJFBVKAUSVANG-HIFRSBDPSA-N	311.381	3.424	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCc2nc(C)cs2)c1	185311395	URPFUIPWXLJCQG-GFCCVEGCSA-N	306.431	3.449	10	20	DGCD	
C/C=C/C[C@H](CO)N[C@@H](C)c1ccc(Br)cc1O	186510066	VLFYEHOPFGMVLU-KJDJKKKBSA-N	314.223	3.132	10	20	DGCD	
CC(C)[C@H]1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	317336480	FQALECBWGJGRKY-AGLBCWCQSA-N	304.346	3.175	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@H]3CCCO3)c2C)c1	46467319	QLBVYISFUDIVHN-QGZVFWFLSA-N	312.413	3.311	10	20	DGCD	
CCN(Cc1cccc(Br)c1O)C[C@H]1CCCO1	132661736	VYCUGBRSUHZQKM-GFCCVEGCSA-N	314.223	3.156	10	20	DGCD	
Oc1cc2c(cc1CNC13CC4CC(CC(C4)C1)C3)OCO2	238123171	KTVZZPRHQZXMKU-UHFFFAOYSA-N	301.386	3.179	10	20	DGCD	
CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccccc1O	245824113	XHNCOTVHSFCCDD-DOTOQJQBSA-N	316.445	3.005	10	20	DGCD	
C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C	267790625	VDSYQJOMGFIXJC-GJZGRUSLSA-N	301.434	3.084	10	20	DGCD	
CCCOc1ccc(CNC[C@@](C)(O)c2ccsc2)c(O)c1	265877529	NNPCFTXYPBDWAF-QGZVFWFLSA-N	321.442	3.240	10	20	DGCD	
CCCCOCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	267582721	RMGYOYKZQNUWDB-UHFFFAOYSA-N	324.384	3.152	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3sccc3[C@H]2C)c(O)c1O	272569291	HVOKOMFXAJFAGU-SNVBAGLBSA-N	303.383	3.227	10	20	DGCD	
CCc1ccccc1CC(=O)N1CCOc2cc(N(C)C)ccc21	468029365	YRTISKISNXXFBC-UHFFFAOYSA-N	324.424	3.283	10	20	DGCD	
COc1cc([C@H](C)NCc2ccc(N(C)C)cc2)c(F)cn1	286889585	IXEHDPYJDSRQFG-LBPRGKRZSA-N	303.381	3.146	10	20	DGCD	
CC[C@@H](NCc1nnc2n1CCCCC2)c1ccc(F)cc1O	285580823	INCZLCLZKULTMT-CQSZACIVSA-N	318.396	3.090	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H]2CCN(C(C)C)C2=O)c1O	808707576	SMDFLTISALHWKH-RISCZKNCSA-N	310.825	3.014	10	20	DGCD	
COCCOCCN(C)Cc1cc(-c2ccccc2)ccc1O	290258426	WKMICQCMVMMRDH-UHFFFAOYSA-N	315.413	3.154	10	20	DGCD	
Cc1nc(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1	807836699	KWUGBSFVUHSXPM-UHFFFAOYSA-N	315.156	3.234	10	20	DGCD	
CCCc1nc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1	292684795	IYASIXLPCWBINC-UHFFFAOYSA-N	315.417	3.274	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCC(=O)N2CCCCC2)c1O	808677519	BGBMILPXQHZWCH-CYBMUJFWSA-N	324.852	3.407	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(F)ccc2Cl)c(O)c1	816551064	NIMWLZWXTXJDKX-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H]2CC(C)(C)OC2=O)cc1F	814180979	UNJQNDWUTSTLBV-MRXNPFEDSA-N	322.424	3.198	10	20	DGCD	
COC(=O)c1cnc([C@H](C)NCc2cc(C)c(C)cc2O)s1	818231507	LKMGULMARNBNEG-NSHDSACASA-N	320.414	3.103	10	20	DGCD	
Cc1cccc2c1OC[C@@H](NCc1c(O)cccc1Cl)C2	810178379	OAXGVWBGYZHQGQ-ZDUSSCGKSA-N	303.789	3.447	10	20	DGCD	
CC[C@H](NCCn1ccnc1)c1ccc(C(F)(F)F)cc1O	810207397	HSTOAVSLWYBBMZ-ZDUSSCGKSA-N	313.323	3.348	10	20	DGCD	
CS[C@@H]1CCN(Cc2ccc(Br)cc2O)C1	826048745	LKKVQWDGMWUZIU-LLVKDONJSA-N	302.237	3.092	10	20	DGCD	
CCN1C(=O)/C(=C\c2cc(F)c(F)c(F)c2)SC1=S	727972915	LFMPNVFYVITLGB-WEVVVXLNSA-N	303.330	3.325	10	20	DGCD	
COc1cccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1O	827377356	WOOLTCXEBWLCGW-GDBMZVCRSA-N	305.418	3.182	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])c(OC)c1O	824653768	HHYWCALRKJLXMM-VXGBXAGGSA-N	308.378	3.225	10	20	DGCD	
O=C(O)CN(Cc1c(O)ccc2oc3c(c12)CCCC3)C1CC1	738607526	JKXOPVZBIOHZPL-UHFFFAOYSA-N	315.369	3.066	10	20	DGCD	
Cn1cc(/C=C\C(=O)N(Cc2ccccc2)c2ccccn2)cn1	832904345	QJNLXCSXURHFFN-KHPPLWFESA-N	318.380	3.062	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3cccc(F)c3o2)c1	743410149	IOJRJQRVRKXVEF-UHFFFAOYSA-N	315.300	3.216	10	20	DGCD	
C[C@H](NCC1(N(C)C)CC1)c1cc(Cl)c(Cl)cc1O	841762961	NOYVLWMTQDGTAD-VIFPVBQESA-N	303.233	3.444	10	20	DGCD	
CSc1ccc(CNC[C@H](N)c2ccc(N(C)C)cc2)cc1	841041199	BTVGJMUXMMZAST-SFHVURJKSA-N	315.486	3.264	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCCc1cccc(F)c1	759598274	VKKAPUMBDKTLAA-VQHVLOKHSA-N	316.328	3.426	10	20	DGCD	
CC1CCN(CCCN[C@@H](C)c2cc(F)cc(F)c2O)CC1	756361254	JQKHYCNQKJPNKE-ZDUSSCGKSA-N	312.404	3.443	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1C=CCC1	852385429	PQQSQAUBWUQWLN-ZBFHGGJFSA-N	301.434	3.010	10	20	DGCD	
C[C@@H]1CCCN([C@H](C)CN[C@H](C)c2cc(F)cc(F)c2O)C1	756410837	KJTKFRYOCQZGDT-JHJVBQTASA-N	312.404	3.441	10	20	DGCD	
COc1c(N[C@@H](C)c2cc(Cl)ccc2O)cccc1C(N)=O	757659905	URQXIGFPZIXKKZ-VIFPVBQESA-N	320.776	3.326	10	20	DGCD	
CN(C[C@H]1COC(C)(C)O1)c1ccc(-c2nccs2)cc1	852167089	WLSXMLSDWPFJGI-AWEZNQCLSA-N	304.415	3.398	10	20	DGCD	
CC[C@H](NC[C@H]1CCCN1CC(F)(F)F)c1ccccc1O	926923799	YUQHUTXIHLUGKP-OCCSQVGLSA-N	316.367	3.460	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC(C)(C)OCC2(C)C)c1O	750819971	LGYHGQUZFMYPAM-UHFFFAOYSA-N	309.381	3.123	10	20	DGCD	
CC[C@H](CO)N[C@@H](C)c1cc(Br)cc(Cl)c1O	756338996	BCPVKAVVTDUPLE-IONNQARKSA-N	322.630	3.230	10	20	DGCD	
COC(=O)c1cc(CN(C)c2ccc3c(c2)OCO3)c(C)s1	756655364	QEKIRNKASNQBPC-UHFFFAOYSA-N	319.382	3.208	10	20	DGCD	
CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1O	769326824	PHMRGRIYPBNINL-ZDUSSCGKSA-N	311.809	3.352	10	20	DGCD	
FC(F)C1CC(NCc2ccc(N3CCSCC3)cc2)C1	768677913	LCQCSGZMMZPUMP-UHFFFAOYSA-N	312.429	3.373	10	20	DGCD	
Cc1c(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cnn1C	863166390	QEBCRYBHQWXMGA-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
CCOc1ccc(CNc2ccc(C(=O)OC)c(C)c2)c(O)c1	762650409	CNJUUMLFIYMKKL-UHFFFAOYSA-N	315.369	3.498	10	20	DGCD	
Cc1noc(CCCN2CCCc3cc(OC(F)F)ccc32)n1	763501248	QLTNESURBNICMS-UHFFFAOYSA-N	323.343	3.365	10	20	DGCD	
CCCCN(CCOC)Cc1cc(Cl)cc([N+](=O)[O-])c1O	769388573	CRDQUJNAGWDMJT-UHFFFAOYSA-N	316.785	3.202	10	20	DGCD	
CC[C@@H](O)CN(Cc1ccccc1)Cc1c(O)cccc1OC	769498067	LGUHOFSHYWOMBH-MRXNPFEDSA-N	315.413	3.174	10	20	DGCD	
CN1CCC[C@@H](CN(C)Cc2ccc(N3CCCC3)cc2)C1	1116437344	ZRKHXRMDJBAXID-GOSISDBHSA-N	301.478	3.060	10	20	DGCD	
CC1(C)CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1	876683961	ZIVAFLLTTPRPAY-UHFFFAOYSA-N	302.462	3.270	10	20	DGCD	
C[C@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1	773013285	KANPXLUUIUDCHJ-WMLDXEAASA-N	324.424	3.181	10	20	DGCD	
Cc1cccc([C@@H]2CCCN2C(=O)/C=C\c2ccc(O)c(O)c2)n1	779535458	XICUQWNLUJDLSS-YHWKNFMLSA-N	324.380	3.178	10	20	DGCD	
CCC(CC)(CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)O	773895640	BUDQVKZPQDOSJF-ZDUSSCGKSA-N	320.433	3.211	10	20	DGCD	
C[C@H](N[C@@H](Cn1ccnc1)C(C)(C)C)c1c(O)cccc1F	886509031	XWCOPKKRIAKOCZ-WFASDCNBSA-N	305.397	3.493	10	20	DGCD	
COc1ccc(NCc2cc(Cl)ccc2O)cc1NC(N)=O	785563389	ONJUYYJAAXCFAO-UHFFFAOYSA-N	321.764	3.157	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1-c1ccoc1	789881520	QLVWVPANLXLGQV-UHFFFAOYSA-N	324.384	3.008	10	20	DGCD	
Cc1cccc([C@@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)c1	784025763	OQBLPBOYBUKHAP-OAHLLOKOSA-N	311.381	3.419	10	20	DGCD	
C[C@H](NC(=O)c1cc(O)cs1)c1nc(C(F)(F)F)cs1	787987200	AGGMCJFHAMNWCP-YFKPBYRVSA-N	322.333	3.420	10	20	DGCD	
COC(=O)[C@H]1CCCCCN1Cc1c(O)ccc(Cl)c1F	792173417	HIMBZMODOFQXKM-GFCCVEGCSA-N	315.772	3.102	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2cncc(F)c2)cc1	799234042	GIALJBVFKWZHRU-UHFFFAOYSA-N	316.380	3.389	10	20	DGCD	
C[C@@H](N[C@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1O	799732130	VKAAVDOJNYLGSX-IUODEOHRSA-N	321.367	3.315	10	20	DGCD	
O=C(NCCOc1ccc2ccccc2c1)c1cccc(O)c1O	790486624	XCMAKUOOCWXKPH-UHFFFAOYSA-N	323.348	3.060	10	20	DGCD	
CC[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(F)cc1O	796685980	VHYCJIDBFYWSEA-HNNXBMFYSA-N	317.364	3.263	10	20	DGCD	
COc1cc(C)cc(CN2CCOc3ccc(C)cc3C2)c1O	795707670	XYNCHQPAUZBGPA-UHFFFAOYSA-N	313.397	3.412	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@H](C)C2CCC2)cc1C	1160786052	KQKZFTHOEFRFOH-OAHLLOKOSA-N	318.461	3.036	10	20	DGCD	
CCc1cccc(CN2CCC[C@@H](C(C)(C)C(=O)O)C2)c1O	1597587266	VGYKBUHEDHLLPH-OAHLLOKOSA-N	305.418	3.277	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCC(CC(=O)O)CC2)c1	1590462396	VGSFBYGFOFSPIZ-UHFFFAOYSA-N	321.417	3.082	10	20	DGCD	
CCc1cccc(CN2Cc3ccccc3[C@H](C(=O)O)C2)c1O	1593642161	HKVUJTOGQIGHJL-QGZVFWFLSA-N	311.381	3.139	10	20	DGCD	
CCN1CCCc2cc(CN[C@]3(C(=O)O)CCC[C@@H]3C)ccc21	1776876038	NVPCLCALWAXZKS-IFXJQAMLSA-N	316.445	3.192	10	20	DGCD	
Nc1ccc(NC(=O)c2cc(Br)ccc2F)cc1	19476627	MBDLBPKZDNITOL-UHFFFAOYSA-N	309.138	3.423	10	20	DGCD	
CC[C@H]1COCCN1Cc1cc(OC)cc(C(C)(C)C)c1O	164359586	UERIYNFNYOZCMI-AWEZNQCLSA-N	307.434	3.309	10	20	DGCD	
C[C@@H](CC(=O)NCCc1ccc(N)cc1)c1ccccc1F	152587752	HRAAZQPQPPDSJN-ZDUSSCGKSA-N	300.377	3.260	10	20	DGCD	
C[C@@H]1CN(c2ccc(CNc3ccccn3)cc2F)C[C@@H](C)O1	52457076	HNYKDXBOFGFTHW-ZIAGYGMSSA-N	315.392	3.446	10	20	DGCD	
COc1ccc(N(CC(=O)NC(C)C)Cc2ccccc2)cc1	57623525	FTHDQPLJGPXAMR-UHFFFAOYSA-N	312.413	3.226	10	20	DGCD	
COc1cccc(CNCCc2nc3ccccc3s2)c1O	74335532	JPFOAIGAFXIUCS-UHFFFAOYSA-N	314.410	3.343	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1CCC[C@@H](C(F)(F)F)C1	133753582	OSACLNMHICHLIS-CMPLNLGQSA-N	301.308	3.377	10	20	DGCD	
O=C(Nc1cccc(N2CCOCC2)c1)c1c(F)cccc1F	155209750	QDQMPKFHSXSFRT-UHFFFAOYSA-N	318.323	3.054	10	20	DGCD	
CCN(Cc1ccccc1O)[C@@H]1CCN(c2ccccc2)C1=O	179574432	KILPYDIEGXBXFU-QGZVFWFLSA-N	310.397	3.020	10	20	DGCD	
CCN(Cc1cccs1)Cc1cc(OC)c(OC)cc1O	179604141	GHPPIIGTHPDYLZ-UHFFFAOYSA-N	307.415	3.493	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cc(Br)ccc2O)on1	185356842	DKVAKZBZOQMCFM-VIFPVBQESA-N	311.179	3.302	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H]3OCCC[C@H]3C2)c1	246205631	BJYYYHBNPXDUSD-GUYCJALGSA-N	319.445	3.396	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1O	272875675	PQGLMAMKLHAZHA-OAHLLOKOSA-N	312.413	3.080	10	20	DGCD	
COC(=O)COc1ccc(N(C)CCCCC(F)(F)F)cc1	273039747	DQLLEIJYAIKHNM-UHFFFAOYSA-N	319.323	3.407	10	20	DGCD	
CC1(C)CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1O	276108545	ZUELAGZGJPWHMH-GFCCVEGCSA-N	304.217	3.292	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CC(C)C)C(=O)O)cc1F	277215350	HNQYNNRUJQIQGX-OAHLLOKOSA-N	310.413	3.261	10	20	DGCD	
C[C@H](NC[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(F)cc1O	289673077	HIHNDBQICZQGGE-IXDGSTSKSA-N	315.388	3.348	10	20	DGCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccncc1	292353696	FGQMMXOFFVJRIH-QGZVFWFLSA-N	312.369	3.099	10	20	DGCD	
C[C@@H](c1ccc(F)cc1O)N1CCC[C@H](CC(C)(C)C(N)=O)C1	296587636	UTSHJXTWWGWKMO-QWHCGFSZSA-N	322.424	3.206	10	20	DGCD	
CC[C@H](C)[C@@H](CNCc1cc(Br)ccc1O)OC	381108876	BROLTOHIIKVSPT-IINYFYTJSA-N	316.239	3.305	10	20	DGCD	
C[C@H]1C[C@H](C(=O)O)CN(Cc2cc(Cl)cc(Cl)c2O)C1	399051377	GOZOMAGYACPMGD-WPRPVWTQSA-N	318.200	3.242	10	20	DGCD	
CSC(C)(C)CNCc1ccc(Br)cc1O	691466683	MGNPTNMKFRFJFP-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
CCCCO[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1	742468901	SFOXVCRTJYRYED-MRXNPFEDSA-N	318.461	3.498	10	20	DGCD	
C[C@@H](Cc1ccncc1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	749296280	PMZCSNBOYRINFZ-JTQLQIEISA-N	321.764	3.070	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1n[nH]c2ccccc12	750861473	GEEAAOUABGXAIF-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
Cc1cccc(NC(=S)NCc2cccc(N(C)C)n2)c1C	754691128	FXNQRUIIUIAPHZ-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
COc1ccc([C@H](O)CN[C@H](C)c2cc(F)cc(F)c2O)cc1	756381546	MSIXEYXREKCAQW-QLJPJBMISA-N	323.339	3.063	10	20	DGCD	
CC(C)C[C@H](O)CN[C@H](C)c1cc(Br)ccc1O	756498628	VQUQYLGRCUAXSN-PWSUYJOCSA-N	316.239	3.212	10	20	DGCD	
CC[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)O1	756916348	LWNYURVRYYSAPX-MSOLQXFVSA-N	318.461	3.447	10	20	DGCD	
Cc1cc(C(=O)NOCC(F)F)c(C)n1-c1ccc(F)cc1	759349644	OQILZFAXOBDQGJ-UHFFFAOYSA-N	312.291	3.160	10	20	DGCD	
Cn1nc(CNCc2cc(Cl)cc(F)c2O)c2ccccc21	761224996	DVQJDZQGABBXHE-UHFFFAOYSA-N	319.767	3.361	10	20	DGCD	
CN(C)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1	763613051	JNHMNWZASQGVPY-CYBMUJFWSA-N	300.805	3.101	10	20	DGCD	
C[C@H](NCCN1CCc2ccccc21)c1ccc(N(C)C)cc1	765416380	LSSBODJFVJYPSG-INIZCTEOSA-N	309.457	3.466	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC(CN(C)C(C)C)CC2)c1	768926109	ITDGZNUHXNNFHW-UHFFFAOYSA-N	320.477	3.343	10	20	DGCD	
Oc1ccccc1CN1CCC(CN2CCCCCC2)CC1	770509581	PDQONEDRKBWMQV-UHFFFAOYSA-N	302.462	3.480	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1	775663846	FHCTYSUPFBYFAJ-KRWDZBQOSA-N	301.478	3.060	10	20	DGCD	
COc1ncc(/C=C\C(=O)N(C)c2ccc(C(C)C)cc2)cn1	775875501	CIMZHTFDKKFJCX-YHYXMXQVSA-N	311.385	3.285	10	20	DGCD	
CC[C@]1(CO)CCCN(Cc2cc(Cl)cc(F)c2O)C1	779210994	XVQLHJQYMUQLNY-HNNXBMFYSA-N	301.789	3.169	10	20	DGCD	
CCC[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)CCO1	779916580	UMHDURKBNNKSRZ-YJBOKZPZSA-N	318.461	3.273	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)NCc1c(O)cccc1Cl	786156366	DLCVHVIOQQUWMZ-AWEZNQCLSA-N	305.805	3.047	10	20	DGCD	
C[C@](CO)(NCc1c(O)ccc(Cl)c1F)c1ccccc1	790966659	YHKVDQREQANTDP-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
CCNc1cc(C)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1	790977733	ROBUVSSQNLOLDZ-RMKNXTFCSA-N	312.369	3.490	10	20	DGCD	
C[C@H](NC(=O)C(C)(C)C1CCOCC1)c1ccc(N(C)C)cc1	795271118	QYNRDFRCKAXLSD-AWEZNQCLSA-N	318.461	3.383	10	20	DGCD	
c1ccc(CN2CCc3cc(CNc4nnco4)ccc32)cc1	795796973	QOAGWOLZCKFJQM-UHFFFAOYSA-N	306.369	3.244	10	20	DGCD	
CCCCN(CC(=O)N[C@@H](C)C(C)C)Cc1ccccc1O	801597494	IIIIPLGXJMDNLA-HNNXBMFYSA-N	306.450	3.155	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(F)cc1C	808094936	KPDSBKUDJFBWEY-UHFFFAOYSA-N	308.349	3.255	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C	815057648	WHZDQAACGPYWBQ-SJLPKXTDSA-N	303.494	3.366	10	20	DGCD	
Cc1cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1N(C)C	815119743	GHQOGZRTALGZEF-MSOLQXFVSA-N	302.462	3.450	10	20	DGCD	
CCc1nocc1CNC1CCN(c2ccc(OC)cc2)CC1	815121277	IYWAIKYCUGRUFS-UHFFFAOYSA-N	315.417	3.004	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)c(F)cc1O)N1CCC[C@@H](C)C1	816535586	UERVCOSLMZZDCS-NEPJUHHUSA-N	314.832	3.395	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(Cl)c(F)cc2O)cn1	816568927	TWHFJCCRHPGGQV-UHFFFAOYSA-N	310.756	3.220	10	20	DGCD	
C[C@@H](N)c1ccc(C(=O)NCCCSc2nccs2)cc1	817940888	LXXHDAQXBKPSCS-LLVKDONJSA-N	321.471	3.075	10	20	DGCD	
COc1cnc(/C=C\c2ccc(N3CCCCC3)cc2)nc1O	821007112	CTZWZUWJAMCJLW-YFHOEESVSA-N	311.385	3.352	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](c3ccncc3)C2)c1O	821272779	YQTBFOOFVAENJC-CQSZACIVSA-N	314.360	3.118	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(C)nc2C(C)C)c1	827317213	PNTRENSIRKELLA-UHFFFAOYSA-N	314.385	3.158	10	20	DGCD	
COC(=O)[C@@H](C)c1cccc(NCc2cccc(OC)c2O)c1	840956903	AFTDXOIOHUTVJG-LBPRGKRZSA-N	315.369	3.289	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H]1NCCc2ccccc21	841069286	RXIAQOXHUUEYNW-HNNXBMFYSA-N	320.795	3.161	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCc2cccnc21	846474694	ZSIQJWWLCWFDOX-AWEZNQCLSA-N	316.788	3.177	10	20	DGCD	
CCCOc1ccc(CN[C@@H](CCSC)C(=O)O)cc1C	871871441	FAUQNERTOXEBDD-AWEZNQCLSA-N	311.447	3.080	10	20	DGCD	
CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2ccccc2O)C[C@H]1C	877755510	CZOWFVNGMCHQJQ-APIJFGDWSA-N	305.418	3.411	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccnc(F)c1[N+](=O)[O-]	881987937	JCWAVAAXFMINPJ-UHFFFAOYSA-N	304.325	3.115	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCc1ccc(OCC2CC2)nc1	882946866	ZDQWCPLVMMLFJO-UHFFFAOYSA-N	320.339	3.144	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCO[C@@H](c2ccncc2)C1	883136081	ULTGOXJRTQYQMS-GDBMZVCRSA-N	320.339	3.075	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC[C@]2(C1)OCc1ccccc12	894480886	RIIZBOXJTOJWFQ-GOSISDBHSA-N	317.335	3.302	10	20	DGCD	
COc1cc(C)cc(CNC[C@H]2CCOC3(CCC3)C2)c1O	894894144	DEPAIYKLMZZXFP-AWEZNQCLSA-N	305.418	3.148	10	20	DGCD	
CC(C)(C)C[C@H](CC(=O)O)NCc1ccc2c(c1)CCCO2	900035272	GJUQZHGDFDROLY-HNNXBMFYSA-N	305.418	3.381	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)O[C@H]1CCOC1	913868845	WGVIADHIRFQILY-KRWDZBQOSA-N	318.417	3.034	10	20	DGCD	
CCOc1ccc([C@@H]2NC(=O)c3cc(Cl)ccc3N2)c(O)c1	920408192	ZACSFOWEVVIDST-HNNXBMFYSA-N	318.760	3.298	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2cnc(C3CC3)[nH]2)C2CC2)cc1	1319593863	JGZXSQBBACQXQE-UHFFFAOYSA-N	324.428	3.158	10	20	DGCD	
CC(C)c1cc(C(=O)Nc2c(Cl)ccc3nonc23)on1	1325344544	DFLAZGAUARSFJT-UHFFFAOYSA-N	306.709	3.240	10	20	DGCD	
CCc1cccnc1C(=O)Nc1c(Cl)ccc2nonc12	1325346378	URSCOVBHDCCOGC-UHFFFAOYSA-N	302.721	3.086	10	20	DGCD	
Cn1ncc(NCc2c(O)cccc2Br)c1C1CC1	1336754505	IMKOLFZUKLRLAH-UHFFFAOYSA-N	322.206	3.378	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1cccc(-c2cnn[nH]2)c1	1578050823	GBKSBWOFYSGAPX-UHFFFAOYSA-N	302.284	3.068	10	20	DGCD	
CCOC(=O)c1cnc(Sc2ccc(C(=O)O)cc2)s1	1605577706	AITGNXGEQHTKEO-UHFFFAOYSA-N	309.368	3.169	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cccnc2C)cc1F	66841221	RZTSVKFUWJHSKG-UHFFFAOYSA-N	315.392	3.305	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)o1	72672143	XPKXLFWKFUPEGH-OAHLLOKOSA-N	300.402	3.275	10	20	DGCD	
Cc1cc(C(=O)NC[C@H](C)C[C@H](C)O)c(C)n1-c1ccccc1	77052688	QZAFUAREDIVTFO-HIFRSBDPSA-N	314.429	3.231	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OC(C)C)cc1	91017950	GWDMECGNUWGQQZ-UHFFFAOYSA-N	321.398	3.289	10	20	DGCD	
Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)Cc1ccccc1O	109770513	ZTEDLBBKZZIQFG-OAHLLOKOSA-N	312.413	3.468	10	20	DGCD	
CC(C)[C@H](NCc1ccc(N(C)C)cc1)c1nc(C2CC2)no1	113357716	RBEBRTQMOQHAJV-INIZCTEOSA-N	314.433	3.500	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H](C)Cc2cccc(F)c2)c1	114543535	DFHVTNDCVANUSY-GFCCVEGCSA-N	317.360	3.035	10	20	DGCD	
O=C(CCc1ccccc1Cl)NCCc1ccc(O)c(O)c1	120427788	YGFFZGGDBDIFGE-UHFFFAOYSA-N	319.788	3.043	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CCC4(CCC4)C3)ccc21	122431421	ICOOHUYZLLJODD-UHFFFAOYSA-N	313.445	3.155	10	20	DGCD	
Cc1cc(Br)cc(CN2C[C@@H](C)OC[C@@H]2C)c1O	124542448	NRYGLPVKANIVOX-WDEREUQCSA-N	314.223	3.072	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@@H]2CCCC[C@@H]2C)c1O	174339616	ZLNOZVLTFNCGSP-STQMWFEESA-N	306.406	3.026	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c(O)c1O	182452975	ZPJFBVKAUSVANG-DZGCQCFKSA-N	311.381	3.424	10	20	DGCD	
COc1ccccc1C/C(C)=C\C(=O)NCCc1ccc(N)cc1	255297868	PPXVPGZIZYLHCM-PFONDFGASA-N	324.424	3.125	10	20	DGCD	
COc1cccc(CNC(=O)/C=C\SCc2ccco2)c1O	255566817	TYRFEQXARXCTQA-CLFYSBASSA-N	319.382	3.057	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCS1	266620967	ZIWSAIPUJDGBKQ-INIZCTEOSA-N	306.475	3.385	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CCOC3(CCC3)C2)c(O)c1	268981700	QWTABCGXQQLVNJ-HNNXBMFYSA-N	305.418	3.372	10	20	DGCD	
CCN(CCCn1ccnc1C)c1ccc(OC)c(OC)c1	270654815	PMBHTBDUBGONMT-UHFFFAOYSA-N	303.406	3.125	10	20	DGCD	
COCc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)o1	272509061	IODFTXIBSQLMJX-UHFFFAOYSA-N	321.373	3.088	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC3(CCOCC3)C2)c1O	273733037	KLADSLWNJUZLTF-UHFFFAOYSA-N	311.809	3.057	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1O	290402334	JNURCGBQFVWAEI-HNNXBMFYSA-N	315.417	3.468	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ncoc1C1CC1	293784053	UJEZICJBNCUTMH-UHFFFAOYSA-N	312.369	3.066	10	20	DGCD	
Cc1c(CNC(=O)COCc2ccccc2)n(C)c2ccccc12	348697267	IFMGNTZIHFWUDC-UHFFFAOYSA-N	322.408	3.320	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC1([S@@](C)=O)CCC1	393699516	YRYCNNUFIHIOQP-RRMDADRESA-N	307.459	3.140	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C(F)F)CCCC1	567513020	TUEBHAWYCUABAU-UHFFFAOYSA-N	324.371	3.304	10	20	DGCD	
COc1ccc(NC(=S)NNc2cccc(C)c2)cc1F	726435726	XASSBNLVKHCKSG-UHFFFAOYSA-N	305.378	3.456	10	20	DGCD	
CCN(CC[S@](=O)c1ccccc1)c1ccc(OC)cc1	729473819	UNVFIOHBODNIHF-NRFANRHFSA-N	303.427	3.329	10	20	DGCD	
CCN(Cc1ccc(OC)cc1OC)C(=O)c1cc(O)cs1	732268283	FXHGRALLCQFLQA-UHFFFAOYSA-N	321.398	3.133	10	20	DGCD	
CCOc1ccc(N(C)Cc2cc(=O)n3cc(C)ccc3n2)cc1	739924781	YICZNWRLRQVKGH-UHFFFAOYSA-N	323.396	3.038	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2O)cc1	744380753	BRVASDWKQGXUTL-UHFFFAOYSA-N	304.777	3.042	10	20	DGCD	
Oc1ccccc1CNC(=S)Nc1ccc(OC(F)F)cc1	748159159	SXQQDHVGFCOIKQ-UHFFFAOYSA-N	324.352	3.480	10	20	DGCD	
CCCN(CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccccc1O	750875754	WOVCVRKWHALITP-NVXWUHKLSA-N	318.461	3.299	10	20	DGCD	
C[C@@H](NC[C@H](O)c1ccccc1F)c1cc(F)cc(F)c1O	756455715	ASAMIKGOIRVRID-PSLIRLAXSA-N	311.303	3.194	10	20	DGCD	
C[C@@H]1C[C@@H](NCCC(=O)OC(C)(C)C)c2c(O)ccc(F)c21	756606994	LPTYKOQGTVYNRC-ZYHUDNBSSA-N	309.381	3.401	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1	756923036	BJZVCEDHPLZANT-ZWKOTPCHSA-N	316.445	3.251	10	20	DGCD	
CCOc1ccc(NC(=S)NCc2ccc(F)cn2)cc1	763166417	YFYMPERBLQOMQC-UHFFFAOYSA-N	305.378	3.106	10	20	DGCD	
CCOc1ccc(CN(C)[C@@H]2CCN(CC)[C@H](C)C2)c(O)c1	769470746	OTNBYTGUMINLNU-GDBMZVCRSA-N	306.450	3.096	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCc3cc(C)ccc32)c1O	775055994	JWSYAFRWHTTZHZ-UHFFFAOYSA-N	314.341	3.180	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1N(C)C	776163450	BKMZXOQMMFEQAI-CGTJXYLNSA-N	300.446	3.108	10	20	DGCD	
CC(C)COC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C	776578717	HWJCFIDFTXQQOE-UHFFFAOYSA-N	306.450	3.162	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]2C2CCOCC2)c1O	777440477	XKURIJNLYJGKSB-INIZCTEOSA-N	305.418	3.182	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)cc2OC)c1	780935842	MFADRTMABWMZHS-LBPRGKRZSA-N	315.369	3.209	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CC[C@@H](N2CCCCC2)C1	792167729	OQYZMSLSHOOGQU-GFCCVEGCSA-N	312.816	3.245	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c(O)c1	793151285	UKFLCEWPKKVXKA-YRGRVCCFSA-N	306.406	3.025	10	20	DGCD	
CC[C@@H](C)CC[C@H](O)CC(=O)NCc1ccc(N(C)C)c(F)c1	793281428	QMDXOEFENXRIKA-HIFRSBDPSA-N	324.440	3.085	10	20	DGCD	
COc1ccc(CNC(=O)C[C@@H](C)c2ccccc2F)c(O)c1	794379804	WRRNVDWAFYFRAP-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
CCc1nc(C)c(CN2CCOc3cc(N(C)C)ccc32)o1	794451261	XEPXIVJOMYMBKG-UHFFFAOYSA-N	301.390	3.010	10	20	DGCD	
CC[C@@H](NC[C@H](C(C)C)N1CCOCC1)c1ccc(C)cc1O	794795401	SYZUJUUJCJJKDM-QZTJIDSGSA-N	320.477	3.098	10	20	DGCD	
CN(CCCN1CCCC1)Cc1cc(Cl)cc(F)c1O	798957490	BSDWDDOYLFPDGG-UHFFFAOYSA-N	300.805	3.102	10	20	DGCD	
Cc1nc2cccc(C(=O)NCc3ccc(N(C)C)cc3C)c2[nH]1	801902281	FDEDILDMNHJGDM-UHFFFAOYSA-N	322.412	3.176	10	20	DGCD	
CC(=O)N1CCCN(Cc2cc(F)ccc2O)c2ccccc21	809786101	OVAMHVZPIZHJFS-UHFFFAOYSA-N	314.360	3.295	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCC[C@]1(O)C[C@H]2CC[C@H]1C2	814170848	FGDNJUZYGOZNNT-PKWAYOAASA-N	313.800	3.216	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3C[C@H](N)c4ccccc43)ccc21	817900034	JSTQKOPMTQWSJL-RBUKOAKNSA-N	307.441	3.303	10	20	DGCD	
C[C@@H](NCC1(C)CCNCC1)c1cccc(C(F)(F)F)c1O	817964617	FYUBIJKFICDHHT-LLVKDONJSA-N	316.367	3.451	10	20	DGCD	
C[C@H](NCCC[C@@H]1CCCN1)c1cc2c(cc1O)CCCC2	817979532	BQRGSTYEFBBFFS-WMLDXEAASA-N	302.462	3.454	10	20	DGCD	
Cc1ccnc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	818435403	WSQPDHWJIPYKCE-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
COc1ccc(O)c(CN2CCC([C@H]3CCCCO3)CC2)c1	827377298	VCNNHJHQPUILPP-GOSISDBHSA-N	305.418	3.182	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@]1(C)CO	827700879	YPRWVDPRDQMREG-VQIMIIECSA-N	302.462	3.127	10	20	DGCD	
CC(C)CCCCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832265999	CGAUHPJDXWFNEZ-SFHVURJKSA-N	319.493	3.475	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(=O)O)sc2C)cc1OC	832378573	NLIVPZHBBRZIOR-UHFFFAOYSA-N	321.398	3.408	10	20	DGCD	
Cc1nc(CC(C)C)sc1C(=O)NCCc1ccc(N)cc1	832659154	OLMLTCPCCNTYHI-UHFFFAOYSA-N	317.458	3.205	10	20	DGCD	
C[S@@](=O)Cc1ccc(CN[C@@H]2CCc3cccc(O)c32)cc1	834799243	XQNAJHBXLRGSHV-OPAMFIHVSA-N	315.438	3.048	10	20	DGCD	
COCC(COC)N[C@H](C)c1ccc(Cl)c(Cl)c1O	834893183	TZBXVWJWCRVAKK-MRVPVSSYSA-N	308.205	3.011	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CC(F)(F)C1	839918907	DOEKUXYJOHPRNE-GFCCVEGCSA-N	310.388	3.154	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1F)c1ccc(N(C)C)cc1	840355203	YJSYARNLRZXPHB-APHBMKBZSA-N	307.413	3.394	10	20	DGCD	
NC[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	841030946	PYDDWVPPLYRDNJ-HKUYNNGSSA-N	301.478	3.284	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)CC[C@@H](N)C(C)C)c1O	843354402	DUDUXYOKUIIOAE-OAHLLOKOSA-N	312.841	3.053	10	20	DGCD	
CN(CCC1OCCCO1)c1ccc(-c2nccs2)cc1	846997650	XIXHWEMEFSJGBP-UHFFFAOYSA-N	304.415	3.399	10	20	DGCD	
CCc1cccc(CN2CCN(CC(F)(F)F)[C@H](C)C2)c1O	848890557	RTXNZDDHXRFGKU-GFCCVEGCSA-N	316.367	3.023	10	20	DGCD	
CN(Cc1c(O)cccc1Br)[C@@H]1CCSC1	862221039	QFAOYFCEOBWHDO-SECBINFHSA-N	302.237	3.092	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Cc2cccc(OC(C)C)c2)c1	862758481	ASGYRTBEFIEQOA-UHFFFAOYSA-N	313.397	3.347	10	20	DGCD	
CO[C@H](CNC(=O)N[C@H](C)c1ccccc1O)c1ccccc1	868129886	UMNWMDKKIWFRHB-CXAGYDPISA-N	314.385	3.140	10	20	DGCD	
CC(C)(NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1F	886350447	VAZSXWGXIFOQDV-UHFFFAOYSA-N	321.323	3.424	10	20	DGCD	
CC[C@](C)(NCc1ccc(OC)c(OC)c1O)c1nccs1	892991498	MKPWDAPUFPDBQT-INIZCTEOSA-N	322.430	3.281	10	20	DGCD	
CC[C@H](C)C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O	901677115	ZHKIQWJMGDERHI-PRDNVKDRSA-N	304.434	3.245	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1	918112570	DDZPXHIRXFCGIK-UHFFFAOYSA-N	322.412	3.339	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1F	1328688002	FYRHLTSROKDMAH-CSMYWGQOSA-N	322.399	3.078	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2ccc(-c3nn[nH]n3)cc2)c(O)c1	1591947349	BLHMEZNDGSXAQG-CYBMUJFWSA-N	323.400	3.040	10	20	DGCD	
CN(Cc1cccc2cnccc12)c1ccc(OCC(=O)O)cc1	1598527867	NNTRTQXWPRKCRL-UHFFFAOYSA-N	322.364	3.335	10	20	DGCD	
COc1cc(CN(CCC(=O)O)C(C)C)c(O)c(C(C)(C)C)c1	1599406515	HZXIJDSJKLLCFC-UHFFFAOYSA-N	323.433	3.383	10	20	DGCD	
C[C@@H]1[C@H](C(=O)O)CCN1Cc1cc(-c2ccccc2)ccc1O	1609833667	LSQYKYHAYUGHEQ-CXAGYDPISA-N	311.381	3.354	10	20	DGCD	
CC(C)(C)CC[C@@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	1776246352	VTHVSZRXBMYBKH-GOSISDBHSA-N	305.418	3.381	10	20	DGCD	
CCN1CCCc2cc(CNC3(C(=O)O)CCCCC3)ccc21	1776875976	GOYPJWKALVTGIG-UHFFFAOYSA-N	316.445	3.336	10	20	DGCD	
CC[C@@H](C)Oc1cc(C(=O)N(C)Cc2ccccc2O)ccn1	180603048	YYJZAYRDPGNXCH-CYBMUJFWSA-N	314.385	3.237	10	20	DGCD	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(O)c2O)s1	188436487	GHQHBCUCALQUCP-SECBINFHSA-N	306.387	3.004	10	20	DGCD	
CSCCCCCNCc1ccc(N2CCOCC2)cc1	185161757	HXHBNSZPFJEAFG-UHFFFAOYSA-N	308.491	3.146	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc([N+](=O)[O-])c1Cl	317672055	KTZRURNKEHZVDJ-UHFFFAOYSA-N	320.732	3.226	10	20	DGCD	
COc1cc(Cl)cc(CN(CCO)Cc2ccccc2)c1O	184672179	LWFOOYRJLCOSSD-UHFFFAOYSA-N	321.804	3.049	10	20	DGCD	
CNc1c(Cl)ncnc1NCCCSc1nccs1	124957930	GOAYQISWDWEHGU-UHFFFAOYSA-N	315.855	3.223	10	20	DGCD	
C[C@@H](N[C@H]1CCc2[nH]ncc2C1)c1ccc2ccccc2c1O	186115284	YDKUPSAGMHRQQP-DOMZBBRYSA-N	307.397	3.477	10	20	DGCD	
COC(=O)N1CCC([C@@H](C)N[C@H](C)c2cc(F)ccc2O)CC1	186763045	BEWXPRZKBXPIBL-VXGBXAGGSA-N	324.396	3.049	10	20	DGCD	
COc1cc(O)c(CNC2(Cc3ccccc3)CC2)cc1OC	187492853	PESKZZOLMUSMCF-UHFFFAOYSA-N	313.397	3.274	10	20	DGCD	
Cc1ccc(C)c(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	183429880	JBDQNQBPFCELLN-CQSZACIVSA-N	313.397	3.005	10	20	DGCD	
Cc1ccc(F)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	190917684	LIGXZSCKQAXZAL-LLVKDONJSA-N	318.348	3.298	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cccnc2OC(C)C)c1	320447657	JFPWKTLBJKYYJO-ZDUSSCGKSA-N	316.401	3.434	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)[C@@H]2CCOC2)cc1	266039727	FWSJTUWDOJIVKJ-DOTOQJQBSA-N	312.413	3.249	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1cccnc1	363086600	BBXLPSUTVWGYDR-RBUKOAKNSA-N	323.440	3.300	10	20	DGCD	
COC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1	273610916	VTVFBHRIDKKGAY-SMDDNHRTSA-N	320.345	3.240	10	20	DGCD	
O=C(c1ccccc1)N1CC[C@H](CSc2nccs2)C1	282259199	RZUCTRGWCWYNHI-LBPRGKRZSA-N	304.440	3.398	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2conc2C2CC2)cc1	289854893	ODMNVMKIPSCUQT-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN[C@H](C)C(=O)O)cc1	284382920	YGJVYYGKBCJFFO-OAHLLOKOSA-N	312.413	3.276	10	20	DGCD	
Cc1cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1N(C)C	293815586	ONVSRODZTSLWJH-KXBFYZLASA-N	312.461	3.341	10	20	DGCD	
COc1cccc(CNCc2cnc(-c3ccccc3)nc2)c1O	809739484	MHGXNGUQNRWRKZ-UHFFFAOYSA-N	321.380	3.148	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(OC)ns2)cc1	399227882	YJACYYKTXSQIJG-UHFFFAOYSA-N	305.447	3.288	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1ccccc1Cn1ccnc1)CC2	296138202	WBJDCJHPYUPIAV-GOSISDBHSA-N	319.408	3.414	10	20	DGCD	
COc1ccc2c(c1)c1c(n2CC(=O)NC(C)C)CCCC1	649472450	RPSBREWIYHDIRV-UHFFFAOYSA-N	300.402	3.053	10	20	DGCD	
CCCC[C@@H](C)C(=O)N(CC(=O)OCC)Cc1ccccc1O	819699094	XCBGZJOBUGCCRX-CQSZACIVSA-N	321.417	3.110	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H](n3cccn3)C2)c1	812294403	MBIQBQJFVIZVJY-HNNXBMFYSA-N	315.417	3.039	10	20	DGCD	
CC1CCN(CCCNCc2cc(Cl)c(F)cc2O)CC1	816530677	QIUZDZORUHWNES-UHFFFAOYSA-N	314.832	3.396	10	20	DGCD	
CC(C)[C@H]1N(C(=O)NCc2ccc(N(C)C)cc2)CC1(C)C	814309147	YPTBPHUSRCGDSJ-MRXNPFEDSA-N	303.450	3.329	10	20	DGCD	
COCCN(C(=O)/C=C/c1cnc(C)s1)c1ccccc1	493871207	OVALNMWUJIFNFF-CMDGGOBGSA-N	302.399	3.144	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@](C)(O)c2cccc(F)c2)c(O)c1	903310773	QQEPNFJKKGSGND-UGSOOPFHSA-N	303.377	3.398	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]12CCC[C@@H]1C2	822834220	VPTUWJFJULLLDG-ZSZQSSIHSA-N	300.446	3.298	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCn4cccc4C3)c2c1	905744404	GUBTWBXUBNCOHJ-UHFFFAOYSA-N	308.381	3.371	10	20	DGCD	
O=C(CC1CCCCC1)NCCN[C@@H]1CCc2cccc(O)c21	834645783	MDKUFSRGXVMWKP-MRXNPFEDSA-N	316.445	3.056	10	20	DGCD	
Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(O)cs2)c1C	732353998	MSQQTUDUNHOCDV-NSHDSACASA-N	319.382	3.255	10	20	DGCD	
CC[C@H](CSc1ccccc1)NC(=O)Cc1ccc(N)cc1	831443314	IIGNGPOYLXTXRB-MRXNPFEDSA-N	314.454	3.498	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)/C=C\C1CCOCC1	735858433	ZPKKCDMYZDHEPV-FPLPWBNLSA-N	303.402	3.114	10	20	DGCD	
O=C(c1cc(O)cs1)N(CCC(F)(F)F)CC(F)(F)F	834736819	XRLZLXDXAXHXLG-UHFFFAOYSA-N	321.242	3.411	10	20	DGCD	
CC[C@H](NCC[C@@]1(O)CCCOC1)c1cccc(Cl)c1O	846210884	CWNBCNLBBPQUAF-HOCLYGCPSA-N	313.825	3.018	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2COc3c(C)cccc3C2)c1O	846174489	WVFYWXPZEHDURD-ZFWWWQNUSA-N	313.397	3.364	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=S)NC1(C)CC1	840868038	AZUBPNVPCPPVIT-ZDUSSCGKSA-N	305.491	3.009	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC1(Cl)Cl	844859204	DAEDXRPCNZBENZ-QMMMGPOBSA-N	323.607	3.039	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@H]([C@H]2CCCNC2)C1	843126107	GOBXQBFZQUKBRU-KBPBESRZSA-N	308.853	3.257	10	20	DGCD	
CS[C@H]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1	845011605	DWCOECUOSWYSIA-NEPJUHHUSA-N	314.838	3.129	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2cc(Cl)ccc2O)[C@@H]1SC	846055789	NTWNHZIEDBZFKJ-YUTCNCBUSA-N	301.839	3.044	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCc3ccccc3NC2=O)c1	848559236	QWXJEHKKRHCRKI-GUYCJALGSA-N	310.397	3.305	10	20	DGCD	
COc1cc(C)cc(CN2CCN(CCC(C)(C)C)CC2)c1O	754727611	KFFZERSFZASENC-UHFFFAOYSA-N	320.477	3.263	10	20	DGCD	
CCC(CC)[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)N(C)C	756398397	DPECSNKTHWFWJP-WBMJQRKESA-N	323.437	3.317	10	20	DGCD	
COc1ccc(O)c(CNc2cn(C)nc2-c2ccccc2)c1	753569679	SWODNCIOYFFNKL-UHFFFAOYSA-N	309.369	3.413	10	20	DGCD	
C[C@H](NC[C@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1O	756378874	JFSOPXCLUUXPPL-GXFFZTMASA-N	305.324	3.325	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1C	750827076	VJTVNYCWBRCLNJ-LRDDRELGSA-N	322.424	3.039	10	20	DGCD	
COc1cc(CNC[C@]2(O)CCC[C@@H]2C)c(O)c(C(C)(C)C)c1	850311718	ZJWVGISVZVBLDO-ORAYPTAESA-N	321.461	3.339	10	20	DGCD	
COc1ccsc1CN(C)c1ccc(OCCN(C)C)cc1	761221547	PMMHMLDBXCZIDO-UHFFFAOYSA-N	320.458	3.334	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)c1ccccc1F	935946706	MWEOPIVNXKRGDG-LBPRGKRZSA-N	322.376	3.437	10	20	DGCD	
CN=[S@](C)(=O)c1cccc(NCc2ccc(N(C)C)cc2)c1	864013803	AFCWHGBEENZCHM-JOCHJYFZSA-N	317.458	3.451	10	20	DGCD	
C[C@@H](Cc1ccsc1)NC(=O)N[C@H](C)c1ccccc1O	868127191	ZLPXODAROSYODK-NWDGAFQWSA-N	304.415	3.445	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)Cc2cnn(C)c2)cc1F	768515373	CAMWETQOMIEWQO-CQSZACIVSA-N	318.440	3.126	10	20	DGCD	
COc1cc(F)c(CN[C@H](C)c2ccccc2O)cc1OC	877755969	VFZRMASDHYFYNJ-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
C[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC(C)(C)O1	773610018	BTAFVGSSTJOWIX-UONOGXRCSA-N	319.449	3.023	10	20	DGCD	
C[C@H](NCc1cnc(N(C)C)s1)c1ccc(N(C)C)cc1	775365127	UIEBJYTXIDBRND-LBPRGKRZSA-N	304.463	3.126	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@@H]1COc2ccccc2C1	770430148	QNMDDKWQUYCVRM-GFCCVEGCSA-N	303.789	3.387	10	20	DGCD	
CCN(C)c1ccc(CN2CCc3ccccc3[C@H]2CO)cc1	773773737	AICOAJDUAHGZKL-HXUWFJFHSA-N	310.441	3.234	10	20	DGCD	
CCOc1ccc(CNc2nnc(-c3ccco3)o2)c(O)c1	777505249	OVTVAQZOIALQFC-UHFFFAOYSA-N	301.302	3.046	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H](O)Cc1ccccc1)c1c(O)cccc1F	886553439	NFSUDLPDIWEGCV-IGCXYCKISA-N	303.377	3.174	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1[C@H]2Cc3ccccc3[C@H]21	883049257	IKERWPSSUAAMEJ-BFYDXBDKSA-N	301.336	3.346	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@H]4CCC[C@H]43)cc2)CC1	775660246	BAGCJBDZDROWFW-UYAOXDASSA-N	313.489	3.203	10	20	DGCD	
C[C@@H](NC[C@H](CO)Cc1ccc(F)cc1)c1c(O)cccc1F	886511155	KMVXUTSMDLXVRP-TZMCWYRMSA-N	321.367	3.172	10	20	DGCD	
COCC[C@@H](NCc1cc(C)cc(OC)c1O)c1ccco1	894430418	FCUCWVITGWSEND-CQSZACIVSA-N	305.374	3.170	10	20	DGCD	
COc1cc(C)cc(CNCC2(c3ccccn3)CCC2)c1O	894756750	NAWJYVMJWVPTLN-UHFFFAOYSA-N	312.413	3.316	10	20	DGCD	
COc1ccc(CNCc2c(C)cccc2F)c(O)c1OC	893087138	WFGKIAQCACPJET-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
CC[C@H](NC[C@H](O)COc1ccccc1)c1ccc(F)cc1O	796680639	XJZHWQYZCNCHJB-YOEHRIQHSA-N	319.376	3.012	10	20	DGCD	
COc1ccc(CNC(=O)NCC(C(C)C)C(C)C)c(O)c1	793072399	BRAUNVSZDCBYMG-UHFFFAOYSA-N	308.422	3.128	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1coc(C2CCC2)n1	1323481871	DDRIIDQJLPEWAV-UHFFFAOYSA-N	318.720	3.384	10	20	DGCD	
C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccccc1O	1330657684	NADGSCAOVZBSKV-LLVKDONJSA-N	316.405	3.306	10	20	DGCD	
O=C(O)[C@@H]1[C@H]2CN(Cc3cc4oc5ccccc5c4cc3O)C[C@H]21	1610803609	GWZPVDIBCZEAAD-UOIKSKOESA-N	323.348	3.054	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2Cc3ccccc3S2)cc1	14527388	JIWFVASEDYLEOM-QGZVFWFLSA-N	312.438	3.086	10	20	DGCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N)cc1	204173083	PBRPIUPQRJFJQZ-FHLIZLRMSA-N	318.461	3.362	10	20	DGCD	
CN(C)c1ccc(CNC[C@@](C)(O)c2ccc(F)cc2)cc1F	157857030	ARAQLWIIPSFBIM-GOSISDBHSA-N	320.383	3.028	10	20	DGCD	
CN(C(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(N)cc1	877077776	UIZLUXRIYHDBNR-UHFFFAOYSA-N	323.440	3.144	10	20	DGCD	
COc1cccc(CNCCCN(C)c2ccccc2)c1O	20826789	MHYPXPDTLUNSPO-UHFFFAOYSA-N	300.402	3.017	10	20	DGCD	
NC(=O)CSc1ccccc1NCc1cc(Cl)ccc1O	37071920	XEDVOECKFSKTML-UHFFFAOYSA-N	322.817	3.235	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@@H]3CCOC3)c2C)c1	42726944	ZPIKHHZRAGLPCC-INIZCTEOSA-N	312.413	3.169	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2c(F)cccc2F)c1	88360161	GXTPOXIBNXVGOC-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
COc1ccc(CCCN(C)Cc2cccc(OC)c2O)cc1	92163791	GEHJWFJZPITQRT-UHFFFAOYSA-N	315.413	3.474	10	20	DGCD	
COc1cccc(CNCc2cc(Cl)cc(Cl)c2O)n1	105460062	QOIPZSSTFVDFPB-UHFFFAOYSA-N	313.184	3.392	10	20	DGCD	
CCc1ccnc(C(=O)NCCCSc2nccs2)c1	181341934	JQRKFWJLZYTYNI-UHFFFAOYSA-N	307.444	3.013	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C[C@@H]3CCC[C@H]3C)CC2)cc1	184605863	QUHPGFFGGXOAPN-CVEARBPZSA-N	316.445	3.170	10	20	DGCD	
C[C@@H](NCCCO[C@@H]1CCOC1)c1ccc2ccccc2c1O	185703104	MJHFCGORYGVFIK-GDBMZVCRSA-N	315.413	3.392	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@H](C)c2cc(C)ccc2O)cc1	185825859	VDUHAFWMOPUZTL-KDOFPFPSSA-N	315.413	3.484	10	20	DGCD	
Cc1ccc(F)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	189195633	ROPDQYNDBBFLCT-NSHDSACASA-N	318.348	3.298	10	20	DGCD	
CCOC(=O)[C@@H](NCc1ccccc1O)c1cccc(C)c1C	189664202	ZCLSOMVMZOTUJC-SFHVURJKSA-N	313.397	3.403	10	20	DGCD	
C/C=C(\CC)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	190567926	AEBWUFJJUCXLTA-LNKIKWGQSA-N	302.418	3.137	10	20	DGCD	
CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cc(F)ccc2O)C1	226609544	ABCPBOXANXYUST-CQSZACIVSA-N	324.396	3.020	10	20	DGCD	
C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	247011271	ITTWTCONKJJXSC-JCNLHEQBSA-N	313.445	3.441	10	20	DGCD	
Cc1ccc([C@H](O)CNCc2ccc(N3CCCCC3)cc2)o1	266000439	OWUIOSKROXARIJ-GOSISDBHSA-N	314.429	3.402	10	20	DGCD	
C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(F)ccc1O	273465860	IUJOVISOBYFWLL-XPTSAGLGSA-N	311.303	3.194	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@@](O)(C(F)(F)F)CC1	289220302	CLNQQGHMJJMSLD-ZDUSSCGKSA-N	323.742	3.325	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)[C@H]2OCCc3sccc32)c1	292856279	UTHNVAJBLXTUGX-PIGZYNQJSA-N	319.426	3.254	10	20	DGCD	
C[C@@H](CCCCO)NCc1ccc(N(C)C)cc1C(F)(F)F	295014225	JTFQSHLZGLFDAS-LBPRGKRZSA-N	318.383	3.412	10	20	DGCD	
C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1O	370372913	GDHOZIJDSWMHQU-SJKOYZFVSA-N	300.377	3.369	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2[C@@H]2CCCO2)c1O	375333998	AYWFQAOLQHAIGB-HOTGVXAUSA-N	323.820	3.392	10	20	DGCD	
Cn1cc(Cl)c(CNCc2cc(Cl)cc(Cl)c2O)n1	393322148	CVUJIAVHRXKOOT-UHFFFAOYSA-N	320.607	3.376	10	20	DGCD	
CN(C)c1cccc(C(=O)NCCCSc2nccs2)c1	734358815	QCHTUEHANIMWGZ-UHFFFAOYSA-N	321.471	3.121	10	20	DGCD	
CCN(Cc1ccoc1)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	737108196	RDKPVSRZKAIEKP-GQCTYLIASA-N	316.313	3.312	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)NCC2CCCCC2)cc1	739924719	VLVWRUHOONOWNH-UHFFFAOYSA-N	304.434	3.218	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCC(OCC2CC2)CC1	743406165	FYXAFZKCVPUDEF-UHFFFAOYSA-N	312.413	3.331	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C(C)C)CC1	753346818	BMXCYVRUWAHSNQ-UHFFFAOYSA-N	303.450	3.296	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2c(C)cc(C)nc2OC)c1	756536192	RFUSVSXEOTXFOI-CYBMUJFWSA-N	316.401	3.272	10	20	DGCD	
C[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O	756775697	RGPVJCJTWNIDQQ-NHYWBVRUSA-N	323.795	3.439	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCO[C@@]3(CCOC3)C2)c2c(O)ccc(F)c21	756783445	YWNAAJKEUBBBMM-MCTLKSGKSA-N	321.392	3.007	10	20	DGCD	
CCCc1nc(C(=O)NCc2ccc(N(CC)CC)cc2)co1	759527821	CQGALIKVBLGPEC-UHFFFAOYSA-N	315.417	3.403	10	20	DGCD	
CCOc1cc(C(=O)NCc2ccccc2O)cc(Cl)c1O	762624189	VHTMTTGXSRVVSV-UHFFFAOYSA-N	321.760	3.080	10	20	DGCD	
Cc1cc(C(=O)NCc2cccc(Br)c2O)c(C)o1	765727811	OVFVHHPGUQQHBB-UHFFFAOYSA-N	324.174	3.295	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCN(C(C)(C)C)CC2)c1	769188958	UDZSEDVFEZFUEJ-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
O=C1CCCCN1C1CCN(Cc2c(O)cccc2Cl)CC1	769508593	SAVZXGOSUNYING-UHFFFAOYSA-N	322.836	3.023	10	20	DGCD	
CCn1nc(CNCc2cc(OC)ccc2O)c2ccccc21	769914708	OCOAZHMKYUMVHW-UHFFFAOYSA-N	311.385	3.060	10	20	DGCD	
Cc1nc2ccccc2n1CCC(=O)N(C)Cc1ccccc1O	773341096	PTDRHPNPIBPIGB-UHFFFAOYSA-N	323.396	3.099	10	20	DGCD	
CCOc1ccc(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1	776258111	RRCRMPUSEARGHG-MRXNPFEDSA-N	323.433	3.247	10	20	DGCD	
CC(C)COC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	776574082	BTIRHHWORNJIIH-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2cc[nH]c2n1	779481179	DRRGGIAOWOPNEC-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
CCc1nnc(CN2CCCCc3cc(OC)ccc32)s1	784244693	QJAMWWNVLCRRCO-UHFFFAOYSA-N	303.431	3.452	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1csc(C2CC2)n1	784288001	WQFUECHZEQLFQN-KXFIGUGUSA-N	317.366	3.188	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(O)c1	793058784	MNFKUSGXNPNMQA-KCQAQPDRSA-N	318.417	3.169	10	20	DGCD	
Cc1cc2cc(CNC(=O)NCc3ccccc3O)ccc2[nH]1	806644382	ZQNFPYPUQCWXLA-UHFFFAOYSA-N	309.369	3.181	10	20	DGCD	
C[C@@H](CO)N(Cc1cc(Cl)c(F)cc1O)CC1CCC1	816603011	VOGNEDBREFLHKS-JTQLQIEISA-N	301.789	3.168	10	20	DGCD	
CC[C@H](N[C@H](C)C1(OC)CCOCC1)c1ccc(F)cc1O	817588843	RSNGNSFJZZAJNV-DOMZBBRYSA-N	311.397	3.156	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCN1	817897836	CCMLFNBVIGKVIZ-VAMGGRTRSA-N	313.489	3.297	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@H]1CCO[C@H](c2ccncc2)C1	824955234	VKPYVNXDBZEBRT-RDJZCZTQSA-N	318.804	3.451	10	20	DGCD	
CC1(C)C[C@@H](CNCc2c(O)ccc(Cl)c2F)CCO1	835059581	JFVWOKNMIBICJX-JTQLQIEISA-N	301.789	3.480	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[C@H](C)O1	838743661	YBEJLOLXAGUABM-HOCLYGCPSA-N	320.433	3.271	10	20	DGCD	
CCOc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c(O)c1	840956102	AWWBLKDFEPLMET-SJLPKXTDSA-N	313.397	3.099	10	20	DGCD	
CCOc1ccc(NCc2cc3c(cc2O)OCO3)c(F)c1	840975679	JSBUVXBLVXJKMM-UHFFFAOYSA-N	305.305	3.271	10	20	DGCD	
C[C@@H](NCCCOC[C@H]1CCOC1)c1ccc(Cl)cc1O	841756413	XSYCRAPKZVDKLH-CHWSQXEVSA-N	313.825	3.139	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCCC[C@H]1[C@H]1CCCN1	843047969	FSQDJFUDZIFOBW-CABCVRRESA-N	312.816	3.291	10	20	DGCD	
C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1CN	843052245	QOWSZDOVTZQUCQ-VQIMIIECSA-N	301.478	3.236	10	20	DGCD	
C[C@@H](C(=O)O)C1(NCc2cc(Cl)cc(Cl)c2O)CC1	844294225	SHYQDNQLEXYVPU-ZETCQYMHSA-N	304.173	3.042	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)[C@@H](O)c2ccc(C)cc2)c1O	846169351	CYMSWYSGYKEOFS-SUNYJGFJSA-N	315.413	3.482	10	20	DGCD	
CCc1cccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1O	848911235	SFVJTOKZULGKIV-HNNXBMFYSA-N	317.351	3.234	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCN(C3CCCCC3)C2)c1	850537886	AVRUUCKBDNQMQE-GJZGRUSLSA-N	318.461	3.458	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC=CCC2)cc1	860646255	COFQYORFTZDBFQ-UHFFFAOYSA-N	322.408	3.238	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1N[C@H]2CC[C@H]1C2	862909243	CJCFYEHLPMHYBF-STQMWFEESA-N	301.415	3.037	10	20	DGCD	
Cc1ccc(CNc2ccccc2CN2CCOCC2)c(O)c1	876848853	MWOJFTOKRMLFQC-UHFFFAOYSA-N	312.413	3.145	10	20	DGCD	
C[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1c(O)cccc1F	886632853	HRXXXQSEOOIPJQ-XHDPSFHLSA-N	314.360	3.135	10	20	DGCD	
CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2CCC(=O)O)cc1	901998805	YYZOBSGVJUYYRB-OOFWQKGWSA-N	316.445	3.485	10	20	DGCD	
CCOc1cccc(CN[C@H](C(=O)O)c2cccc(C)c2)c1O	904263406	XDRWXTZYOHCDSA-INIZCTEOSA-N	315.369	3.015	10	20	DGCD	
CCN(CCOCC(F)(F)F)c1ccc(OC)c(OC)c1	921061573	HECWTEYWPUMZRQ-UHFFFAOYSA-N	307.312	3.109	10	20	DGCD	
C[C@H](NCCO[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1O	927080407	IYQVOSYMUXKHDX-VHSXEESVSA-N	320.216	3.155	10	20	DGCD	
COc1cc(O)c(CN2CC[C@H]3CCCC[C@@H]3C2)cc1OC	1236753749	PRFLRGPQNNTEQM-ZIAGYGMSSA-N	305.418	3.422	10	20	DGCD	
CC[C@@H](NC[C@@H](C)CNC)c1ccc(C(F)(F)F)cc1O	1326474173	TYYIPEGPXJPJNE-GXFFZTMASA-N	304.356	3.307	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@H](C)S[C@H](C)C1	1340026810	TZAKARUFRXSRPH-AOOOYVTPSA-N	324.475	3.062	10	20	DGCD	
CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Cc1ccc(N)cc1	1343521774	CNFAMTCKQGUIOR-SFHVURJKSA-N	312.413	3.430	10	20	DGCD	
CC(C)OC(=O)C[C@H](NCc1ccc(N)cc1)c1ccccc1	1345159283	FCOCRXCDRMUYKR-SFHVURJKSA-N	312.413	3.441	10	20	DGCD	
Cc1cccc([C@@H]2CCN(C(=O)NCc3ccc(N)cc3)C2)c1	1357791381	LDJSSNSBFCNGSD-QGZVFWFLSA-N	309.413	3.276	10	20	DGCD	
CN(Cc1cnc2ccccc2c1)c1ccc(OCC(=O)O)cc1	1598533734	VJRRGLYXDKNDSW-UHFFFAOYSA-N	322.364	3.335	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)CC(C)(C)CC(=O)O)c1	1599598285	KKKNBHDZBSUPNJ-VXGBXAGGSA-N	309.406	3.331	10	20	DGCD	
C[C@H](NCCc1ccc(F)cc1)c1cc(C(=O)O)ccc1O	1604342604	ZASHKZLXFINSRG-NSHDSACASA-N	303.333	3.123	10	20	DGCD	
C[C@H](Nc1ccc(N(C)C)cc1)c1cc(C(=O)O)ccc1O	1604361622	FGXVHYFOHCEBHV-NSHDSACASA-N	300.358	3.330	10	20	DGCD	
O=C(O)[C@H](CNCc1cccc(Cl)c1O)CC1CCCC1	1608537934	BRKSILSNJQGYRE-ZDUSSCGKSA-N	311.809	3.416	10	20	DGCD	
COCc1cccc(CN[C@H](C)c2cc(C(=O)O)ccc2O)c1	1610272421	OWUNKQQZHOABPL-GFCCVEGCSA-N	315.369	3.088	10	20	DGCD	
O=C1N[C@@H](c2cccc(Br)c2O)Nc2ccccc21	48622095	RKNNWEQEMYSHGH-ZDUSSCGKSA-N	319.158	3.009	10	20	DGCD	
NC(=O)CC[C@H]1CCCN(Cc2c(O)ccc3ccccc23)C1	66080667	GFNSENKXGVXBAU-CQSZACIVSA-N	312.413	3.023	10	20	DGCD	
CC(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	81203365	CHNQLYSUKGAFNY-LBPRGKRZSA-N	312.360	3.029	10	20	DGCD	
COc1ccc(N2CCC(Nc3ncccc3F)CC2)cc1	84485702	CQZSSHBARMKEPW-UHFFFAOYSA-N	301.365	3.310	10	20	DGCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccccc1Cl	85204636	LGHCTPSZQXTAPR-UHFFFAOYSA-N	318.181	3.500	10	20	DGCD	
CCN(C)C[C@H]1CCN(Cc2ccc(N(CC)CC)c(F)c2)C1	93770230	QRJBIIWFDQHJRT-QGZVFWFLSA-N	321.484	3.446	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3occc32)cc1	97358646	LJAUXLVOSWIRMG-INIZCTEOSA-N	313.401	3.222	10	20	DGCD	
COc1cccc(CNC(=O)CCc2cccc(Cl)c2)c1O	105652199	OXDIJHGRGOPVKE-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c1	114599548	PAMLVYSFKQWLRC-YWPYICTPSA-N	306.406	3.025	10	20	DGCD	
c1cc2c(o1)CCC[C@H]2NCc1ccc(N2CCOCC2)cc1	120781541	GNQRHMABUMRBPU-GOSISDBHSA-N	312.413	3.283	10	20	DGCD	
NC(=O)Cc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1	122195010	JBEVDHWLUKOBNY-UHFFFAOYSA-N	323.440	3.317	10	20	DGCD	
CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)N(C)Cc1ccccc1O	123733601	DMMBXMOJXWXWKO-CVEARBPZSA-N	320.433	3.127	10	20	DGCD	
COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2sccc2C)c1O	133594171	YNWPWYSUDZLJBI-STQMWFEESA-N	317.410	3.191	10	20	DGCD	
CSCCN[C@@H](C)c1cc(Br)cc(F)c1O	134907947	AZHZDLMOPSAECS-ZETCQYMHSA-N	308.216	3.307	10	20	DGCD	
CC[C@H](C)OCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	152655077	WBLWZZFDXORHMT-INIZCTEOSA-N	318.461	3.450	10	20	DGCD	
CC[C@@H](NCCN1CCc2ccccc2C1)c1ccccc1O	154994408	XLIZSLNSCVYUTC-LJQANCHMSA-N	310.441	3.491	10	20	DGCD	
CC[C@@H](NCCCOC[C@H]1CCOC1)c1ccc(N(C)C)cc1	158213206	BRUNNPZREDULLO-VQIMIIECSA-N	320.477	3.237	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](SC)c2ccccc2)c1O	172403695	VMKUYVNIYUYNHN-MRXNPFEDSA-N	317.410	3.121	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1F	176036264	RQFVSOMQLCDTTM-LSDHHAIUSA-N	304.409	3.334	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccccc1O	179873172	VGXHELGWPYDNBC-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
CN(C[C@H]1CCN(Cc2ccccc2O)C1)C(=O)OC(C)(C)C	180075615	BCJJWMPHXNZIHT-CQSZACIVSA-N	320.433	3.081	10	20	DGCD	
Cc1nc2cc(F)cc(C(=O)Nc3ccc(N)cc3)c2nc1C	195309022	UFTXZHNNGLYPTC-UHFFFAOYSA-N	310.332	3.220	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1cc(Cl)ccc1OC(F)F	255669661	BRXACGVECOQQJD-XBXARRHUSA-N	321.757	3.430	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)[C@@H](O)c1cccc(F)c1	267145614	AXCYPGGOHCDNSV-SCLBCKFNSA-N	302.393	3.103	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	273386001	JLXMQKMZMNCMOF-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](CCO)c2ccccc2)c1O	273798944	WSXPYVIQOFUXKB-OAHLLOKOSA-N	321.804	3.268	10	20	DGCD	
C[C@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1O)c1ncn(C)n1	278793776	QNPZHNXNXJXAGZ-YUMQZZPRSA-N	315.204	3.239	10	20	DGCD	
Cc1cccc(CNC[C@H](O)c2cc(F)cc(Cl)c2)c1O	278966514	HDTFIDJAVOSIQQ-HNNXBMFYSA-N	309.768	3.316	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(F)cc1O	285524861	BHIWLCYARCEWNN-XPKDYRNWSA-N	322.424	3.219	10	20	DGCD	
CCc1nc(C)c(C(=O)NCc2ccc(N(CC)CC)cc2)o1	292969186	IEMIZBVRKSJPFR-UHFFFAOYSA-N	315.417	3.322	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1O	293933976	HQSWKCFHILWABN-IAGOWNOFSA-N	323.820	3.198	10	20	DGCD	
C[C@H](N[C@H](C)CC(C)(C)O)c1ccc(Br)cc1O	296552932	RQJVQXOIYLXGBO-ZJUUUORDSA-N	316.239	3.355	10	20	DGCD	
C[C@@H](c1ccccc1O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1	296653905	ZDGRODORQQOAHB-KBPBESRZSA-N	304.434	3.067	10	20	DGCD	
Cc1occc1SCC(=O)N(C)Cc1ccc(N(C)C)cc1	298433774	XEDVAEXSHFOPIJ-UHFFFAOYSA-N	318.442	3.405	10	20	DGCD	
CC(C)N(C)C[C@@H](C)NCc1ccc(N2CCCCC2)cc1	319650223	LCUOSBJYKRTWMF-QGZVFWFLSA-N	303.494	3.495	10	20	DGCD	
CCOc1cncc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1	362880398	ZGCWNYVJGIGKGZ-UHFFFAOYSA-N	321.384	3.045	10	20	DGCD	
CC/C=C(\C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	363615681	OWSKSWRCBZGUQM-GIDUJCDVSA-N	302.418	3.090	10	20	DGCD	
CCOCC(C)(C)NCc1cccc(Br)c1O	393613290	HDVVTDQBHLRQKG-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
CCOc1cc(F)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1	588405963	OWJGUHKGGZLARG-YWEYNIOJSA-N	317.316	3.288	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCCc2sccc21	588479654	FBWGPLJCDLOJPO-VGVVRCBHSA-N	315.394	3.366	10	20	DGCD	
CN(Cc1c(O)cccc1Br)C[C@H]1CCCOC1	707139469	JDDRNEGVTBQHKN-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
CC[C@H]1CO[C@H](C)CN1Cc1c(O)cccc1Br	707146664	QDPJWOLCPRYMHV-MNOVXSKESA-N	314.223	3.154	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1C[C@@]12CCCc1ccccc12	743326682	GRZNAFCRFJMDDT-FXAWDEMLSA-N	307.393	3.303	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ocnc2C)cc1	747350866	VDQYQWKBFYZGTR-UHFFFAOYSA-N	301.390	3.101	10	20	DGCD	
C[C@@H](NC[C@@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1O	756378875	JFSOPXCLUUXPPL-MFKMUULPSA-N	305.324	3.325	10	20	DGCD	
C[C@H](N[C@@H](C)C(C)(C)O)c1cc(Br)cc(F)c1O	756817367	FJYRRJKDZFFNBB-YUMQZZPRSA-N	320.202	3.104	10	20	DGCD	
C[C@H](N[C@@H](C)C(C)(C)O)c1cc(Br)c(F)cc1O	756820573	YHHUJONALKALBM-YUMQZZPRSA-N	320.202	3.104	10	20	DGCD	
C[C@H](NCCCn1cncn1)c1ccc(Cl)c(Cl)c1O	756831759	XXQMBZYXGOFLJT-VIFPVBQESA-N	315.204	3.031	10	20	DGCD	
CCOCc1cc(CNC2(CC)CCOCC2)ccc1OC	761339348	ZSQPOFCQSMHDQV-UHFFFAOYSA-N	307.434	3.281	10	20	DGCD	
O=C(NCCCSc1nccs1)C1Cc2ccccc2C1	761880508	DAXBTCIESNKVFY-UHFFFAOYSA-N	318.467	3.157	10	20	DGCD	
O=C(c1cc(O)cs1)N(CCc1cccc(F)c1)C1CC1	763079788	UQVJCVYZLVAVNR-UHFFFAOYSA-N	305.374	3.440	10	20	DGCD	
Cc1ccc2c(c1)CCCN2Cc1cc2c(cc1O)OC[C@H]2O	768463638	VHMASWQDVMGOFJ-GOSISDBHSA-N	311.381	3.079	10	20	DGCD	
CO[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C(C)C	771105429	UQYZHKYUYVXXBU-SFHVURJKSA-N	318.461	3.306	10	20	DGCD	
COc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(F)c1	773020764	VNWISJNALMWKRH-GFCCVEGCSA-N	316.376	3.391	10	20	DGCD	
CCCN(Cc1ccc2c(c1)OCCO2)c1ccc(CN)cc1	775140317	LTSADVGSCZFIJX-UHFFFAOYSA-N	312.413	3.333	10	20	DGCD	
Oc1ccccc1CN(Cc1cncc(F)c1)C[C@@H]1CCCO1	779148076	LZCKAWQOHRFVCK-KRWDZBQOSA-N	316.376	3.108	10	20	DGCD	
C[C@H](N[C@H](CCO)Cc1ccccc1)c1ccc(N(C)C)cc1	799732527	ZZSVFPKFKOHVBS-QFBILLFUSA-N	312.457	3.397	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cc(C(F)(F)F)n[nH]1	799735179	WZFPXTKIAFMMGP-UHFFFAOYSA-N	311.307	3.390	10	20	DGCD	
CO[C@H](CN1CCOc2cc(N(C)C)ccc21)c1ccccc1	801935183	AEIAYIQVCAJKJN-LJQANCHMSA-N	312.413	3.339	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@@H](O)COCC(C)C)c1O	808679833	BPHJZBNVLCGTDL-TZMCWYRMSA-N	315.841	3.038	10	20	DGCD	
Cc1cc(O)c(CNCCCOCC(F)(F)F)cc1Cl	825102005	JKVYPSJHNUJYQZ-UHFFFAOYSA-N	311.731	3.413	10	20	DGCD	
CC[C@]1(C)CN(Cc2ccc(Br)cc2O)CCO1	825634425	NFURHNCILMFTQZ-CQSZACIVSA-N	314.223	3.156	10	20	DGCD	
Cc1c(NCc2cc(Cl)ccc2O)cccc1-c1nn[nH]n1	826242131	BCNDWKJNNVFGIB-UHFFFAOYSA-N	315.764	3.146	10	20	DGCD	
COC(=O)c1cc(CN(C)c2ccc(OC)cc2OC)cs1	839529109	XPHVETWNFVJNDU-UHFFFAOYSA-N	321.398	3.188	10	20	DGCD	
CCCCO[C@@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839920036	ZXYDQBRBUAEGDT-CVEARBPZSA-N	320.477	3.313	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2SCCCS2)cc1	841065983	VUEFAVKQDGAQOJ-UHFFFAOYSA-N	324.515	3.345	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@H]([C@@H]2CCNC2)C1	843125279	QRYGGMYOOSYJNT-NEPJUHHUSA-N	312.816	3.006	10	20	DGCD	
CCCOc1ncccc1CN[C@H](C)c1cccc(OC)c1O	846143471	IVUNVDTVPDIXFE-CYBMUJFWSA-N	316.401	3.435	10	20	DGCD	
CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)c1cnn(C)c1	848342865	GBDAEQRSRYYIAJ-UHFFFAOYSA-N	322.412	3.494	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C	848926142	LRBXRSMOBISMKO-VIFPVBQESA-N	317.788	3.252	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)cc1	851708829	MSGZQLNALBPZRJ-MOPGFXCFSA-N	324.424	3.053	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@@H]2COc3ccccc32)cc1F	858165239	PQCCBBACIYRTNV-CYBMUJFWSA-N	318.367	3.297	10	20	DGCD	
Cc1ccc(O)c(CNCc2cnc([C@H]3CCCO3)s2)c1	858237082	DYNHKFRUMOETRZ-OAHLLOKOSA-N	304.415	3.298	10	20	DGCD	
Cc1ccc(O)c(CNCc2ccc(F)c(F)c2N(C)C)c1	858239477	NZUOESFAMBDDJZ-UHFFFAOYSA-N	306.356	3.335	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2c3ccccc3O[C@H]2C)c1	858460935	FHVUNFYQWUBARX-YVEFUNNKSA-N	312.369	3.022	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)C1(c2ccccn2)CC1	864862808	NVTMTAJIWVRRNP-UHFFFAOYSA-N	321.424	3.030	10	20	DGCD	
CCNCc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1	868163172	KQCQIPZQRDSWNH-CYBMUJFWSA-N	313.401	3.384	10	20	DGCD	
CC(C)Nc1ccccc1NCC(=O)N1C[C@@H](C)C[C@@H](C)C1	871847846	XXPWSKXXZGYFRX-GASCZTMLSA-N	303.450	3.423	10	20	DGCD	
COCCOc1ccc(NCc2ccc(C)cc2O)cc1F	876823590	NIGCFOXUHSNJGX-UHFFFAOYSA-N	305.349	3.477	10	20	DGCD	
CC(C)(O)C1CCN(Cc2c(O)ccc(Cl)c2F)CC1	877753423	DDTZLPLFHAGMFU-UHFFFAOYSA-N	301.789	3.168	10	20	DGCD	
COC(=O)CC[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	877819967	BUMSSHICAIZYNI-LBPRGKRZSA-N	311.809	3.211	10	20	DGCD	
COc1ccc(CNc2cnn([C@H](C)C3CC3)c2)c(O)c1OC	893701351	YCNCBVSJPZHACB-LLVKDONJSA-N	317.389	3.189	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@H](C)N(C)C)c1C	914879620	NVLVZZWYJFHQBV-HNNXBMFYSA-N	313.445	3.082	10	20	DGCD	
CCc1ncc(CN2CCCc3cc(OC)cc(OC)c32)o1	930722652	RFUAGQGKCKLSPJ-UHFFFAOYSA-N	302.374	3.207	10	20	DGCD	
COc1ccc(CNC[C@@H](CCC(=O)O)C(F)(F)F)cc1C	1328488312	UZRVJWGSVZPEHA-GFCCVEGCSA-N	319.323	3.137	10	20	DGCD	
CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(N)cc2)c1	1335399392	ZRIGEZMNYYRDBH-CYBMUJFWSA-N	313.401	3.228	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N(C)c2cccc3c2CCCN3)s1	1347050094	NAHLFMCMZYOYAI-HJWRWDBZSA-N	313.426	3.486	10	20	DGCD	
COc1ccc(CN(C)C(=O)Cc2ccc(N)cc2)cc1Cl	1579212279	OFWMHXZXJCUTED-UHFFFAOYSA-N	318.804	3.132	10	20	DGCD	
CN(C)c1ccc(CN[C@]2(C(=O)O)CCCC(C)(C)C2)cc1	1598320676	MASGQQWCZBICHU-GOSISDBHSA-N	304.434	3.266	10	20	DGCD	
Cc1cc(CN2C[C@@H](C)[C@H](C(=O)O)C2)ccc1N1CCCCC1	1600195908	GQUJNIPKGCGABP-NVXWUHKLSA-N	316.445	3.138	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)CSCC(=O)O)c2C)c1	1600507749	FOEHGARMMJHYLH-UHFFFAOYSA-N	317.410	3.403	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ncc(C(=O)O)s1	1609772963	DHZNDRCTJCEZBC-MNOVXSKESA-N	319.430	3.319	10	20	DGCD	
CC(C)CNC(=O)N(Cc1ccco1)Cc1ccccc1O	65994450	BFNRVQBFOOBMRJ-UHFFFAOYSA-N	302.374	3.353	10	20	DGCD	
O=C(NCCCSc1nccs1)c1ccncc1Cl	73093920	ADQAFPYVIMNNLQ-UHFFFAOYSA-N	313.835	3.104	10	20	DGCD	
CC(C)(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1	103173218	FZCKHYCMSPYHJG-UHFFFAOYSA-N	304.321	3.464	10	20	DGCD	
COCc1ccc([C@@H]2CCCN2Cc2cccc(OC)c2O)o1	137064452	YOGBZYMNVUJMJD-HNNXBMFYSA-N	317.385	3.477	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1[C@H]2Cc3ccccc3[C@H]12	155585691	WRRHTINZKVBPJV-AOIWGVFYSA-N	322.408	3.120	10	20	DGCD	
COc1cc(O)c(CNC2(c3cccc(F)c3)CC2)cc1OC	182358604	XCQFJXSLKSRUJZ-UHFFFAOYSA-N	317.360	3.327	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c(s1)CCC2	183483275	HNZFYEVOAVQASI-JTQLQIEISA-N	317.410	3.009	10	20	DGCD	
C[C@H](NCc1cccc(N(C)C)n1)c1cc(Cl)ccc1O	186179144	WPQVMJFNOWYXJT-NSHDSACASA-N	305.809	3.357	10	20	DGCD	
COc1cccc(CN2CCSC[C@H]2c2nccs2)c1O	186645160	WBSAOZXLKGOWME-LBPRGKRZSA-N	322.455	3.147	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc(F)c(F)c2O)cc1O	187688447	YNBMHKSULPLPKO-SECBINFHSA-N	309.312	3.235	10	20	DGCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cccc(C)c1	192155392	OPFLHLMKJHZYCZ-UHFFFAOYSA-N	309.412	3.223	10	20	DGCD	
N[C@@H]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21	228535415	KPPIOEMCUDJPDM-GAJTVXKRSA-N	315.244	3.258	10	20	DGCD	
CC[C@@H]1CCc2nc(NC(=O)Cc3ccc(N)cc3)sc2C1	236971161	DONPVTKPYPVCBX-LLVKDONJSA-N	315.442	3.421	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N(C)[C@@H](C)CN)c2C)c1	237462720	RKNPUGFVFJKDNL-HNNXBMFYSA-N	313.445	3.130	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCOc2cccc(F)c21	255831811	MODKNTDDSRACHQ-ALCCZGGFSA-N	318.735	3.313	10	20	DGCD	
CCOCCCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	267539747	APJDDFJJQVYXFE-UHFFFAOYSA-N	324.384	3.152	10	20	DGCD	
COc1ccc(CNC[C@@](C)(O)c2ccc(F)cc2)cc1C	270303603	SNECFYNGSTVSHF-GOSISDBHSA-N	303.377	3.140	10	20	DGCD	
CCn1cc(CN[C@@H](C)c2ccc(Br)cc2O)cn1	273477732	LCNYURDVYAIAFC-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
C[C@H](N[C@@H](C)c1ncnn1C)c1ccc(Cl)c(Cl)c1O	276634596	OBZRRQHXPMKTBH-YUMQZZPRSA-N	315.204	3.239	10	20	DGCD	
Cc1c(CNc2cc(C(=O)N(C)C)ccn2)n(C)c2ccccc12	279910217	VJHNYYAGOVCNGP-UHFFFAOYSA-N	322.412	3.196	10	20	DGCD	
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1	301061132	CGAJGMRROUJERM-CYBMUJFWSA-N	318.442	3.329	10	20	DGCD	
C[C@H](Nc1ncc(Cl)cn1)c1ccc(N2CCOCC2)cc1	301493902	RGUJYEUAXMKMBL-LBPRGKRZSA-N	318.808	3.140	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1O2	386963605	KNDXXJIRUMAKIA-UTRMSSBJSA-N	300.446	3.332	10	20	DGCD	
FC(F)(F)OCCNCc1ccc(N2CCCCC2)cc1	398162345	JVPZBTNCDDOBFL-UHFFFAOYSA-N	302.340	3.303	10	20	DGCD	
CN(C(=O)C1=CC[C@@H](N)C1)c1ccc(OCc2ccccc2)cc1	638321143	WEIGVCMJJHUPTM-QGZVFWFLSA-N	322.408	3.276	10	20	DGCD	
Cc1c([C@H](C)NCc2c(O)cccc2Br)cnn1C	706846384	GXBROQIKLVVPER-VIFPVBQESA-N	324.222	3.047	10	20	DGCD	
CC(C)COC[C@@H](NC(=O)c1cc(O)cs1)c1ccco1	732283172	DSGRDGDRULQGHO-GFCCVEGCSA-N	309.387	3.190	10	20	DGCD	
Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2cc(O)cs2)c1	732354764	YUDHXQXERMCQKM-LLVKDONJSA-N	319.382	3.255	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCCc2c(F)cccc21	748564462	IQAWKYZKKIVLLC-VOTSOKGWSA-N	300.308	3.352	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](CC(=O)O)c2ccccc2)cc1	756311974	YPSGYEDQLHCSDB-QGZVFWFLSA-N	312.413	3.101	10	20	DGCD	
Cc1ccccc1[C@@H](CC(=O)O)NCc1ccc(N(C)C)cc1	756360752	HCPPBOLBDKZEGC-GOSISDBHSA-N	312.413	3.367	10	20	DGCD	
C[C@@H](NCCN1Cc2ccccc2C1)c1cc(F)cc(F)c1O	756479421	MWKCVBJKUHADHM-GFCCVEGCSA-N	318.367	3.337	10	20	DGCD	
Cc1nn(C)cc1[C@H](C)N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756537079	ZTFNCEFKNIIUOV-BFVZDQMLSA-N	303.381	3.472	10	20	DGCD	
Oc1cc2c(cc1CN1CCOC3(CCCC3)C1)CCCC2	768463622	VDBCWNLWFSDUPZ-UHFFFAOYSA-N	301.430	3.416	10	20	DGCD	
CCCCn1cc(CNCc2ccc(N(C)C)cc2)c(C)n1	773408631	IGMCWYVYSRLKTI-UHFFFAOYSA-N	300.450	3.347	10	20	DGCD	
CCCc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1	774138664	LRBUXBYBGCIDIH-GHRIWEEISA-N	306.365	3.101	10	20	DGCD	
CCC(C)(C)N[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775410247	KLCGYIYWUGTZDX-UONOGXRCSA-N	305.466	3.097	10	20	DGCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)c1C	776747661	JFBLKFNLOPYQFW-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)c(O)c1O	780905509	REPBAGKVPVEEOT-UHFFFAOYSA-N	306.387	3.413	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2cc3ccccc3[nH]2)cc1	789749753	VYKSVNKYIZCUIH-UHFFFAOYSA-N	324.380	3.356	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)OC[C@@H]2CCCO2)cc1F	804991110	IHPNFRIBUKQQKO-AWEZNQCLSA-N	324.396	3.077	10	20	DGCD	
CC(=O)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1	808022041	HGJXAOLBYFXXQS-UHFFFAOYSA-N	312.350	3.140	10	20	DGCD	
COC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1	812486287	IZBWEAGBTHORQE-HZPDHXFCSA-N	318.461	3.212	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1noc(C)n1	817299087	UYLGLSKYSZDBRH-AWEZNQCLSA-N	301.390	3.222	10	20	DGCD	
C[C@H](NC[C@@H]1CCCCN1)c1cc(Cl)c(Cl)cc1O	817950305	SJVPYWCPUKNSDU-UWVGGRQHSA-N	303.233	3.492	10	20	DGCD	
C[C@H](CC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1F	818545167	MLVXTGLOABOEBH-GFCCVEGCSA-N	318.367	3.400	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)NCc1cc(Cl)ccc1O	824554431	GATKPWGYVWFNME-NSHDSACASA-N	311.731	3.493	10	20	DGCD	
CO[C@@H](CNCc1cccc(Cl)c1O)Cc1ccccc1	824590194	LXVOYTPXQPJRBO-OAHLLOKOSA-N	305.805	3.393	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](c2ccccc2)c2nc[nH]n2)cc1C	825123855	DIVLIPKLQQYDGP-KRWDZBQOSA-N	322.412	3.049	10	20	DGCD	
COc1cc(CN2CCC[C@H](CO)[C@@H]2C)c(O)c(C(C)(C)C)c1	826123354	LHEQONBVCLSFCI-UONOGXRCSA-N	321.461	3.291	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)c2nc(C)cs2)c1	830541216	VFAFSUQBEZLNSD-QWRGUYRKSA-N	320.414	3.147	10	20	DGCD	
Cc1cncc(/C=C\C(=O)N2C[C@@H](CC(=O)O)c3ccccc32)c1	832985913	CPFGYCXCJHJAHJ-IDTUSYRASA-N	322.364	3.008	10	20	DGCD	
Oc1cccc2c1[C@H](NCCN1CCc3ccccc3C1)CC2	834496409	HMSLHTDFYAVWPU-GOSISDBHSA-N	308.425	3.027	10	20	DGCD	
CC[C@@H](NC[C@@H](CO)c1ccc(OC)cc1)c1ccccc1O	839184894	MGXAUILXSDWXTB-MAUKXSAKSA-N	315.413	3.218	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCc1ccccc1[N+](=O)[O-]	840933117	FLPQLVIBUAQKOP-UHFFFAOYSA-N	313.401	3.302	10	20	DGCD	
C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCCc1ccc(N)cc1	841869854	QZHHDHNQMKOXSG-LIRRHRJNSA-N	323.440	3.434	10	20	DGCD	
CC(C)CN(C(=O)NCCc1ccc(N)cc1)C1CCCC1	841956219	YWBAAVXJMXERFZ-UHFFFAOYSA-N	303.450	3.422	10	20	DGCD	
Cc1ccccc1[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	841956809	JBUXRISHAFQWNG-QGZVFWFLSA-N	323.440	3.319	10	20	DGCD	
CCNCC1CCN(Cc2cc(Cl)cc(F)c2O)CC1	843055930	SBXNHWXMTMWCDR-UHFFFAOYSA-N	300.805	3.006	10	20	DGCD	
C[C@@H](NC(=O)N(C)CC1=CCSC1)c1ccc(N(C)C)cc1	852262095	YSJNHBNJFHJSEI-CYBMUJFWSA-N	319.474	3.128	10	20	DGCD	
CCc1csc(NCc2ccc(N3CCC(O)CC3)cc2)n1	853955513	PWKPIVRYQXUYAZ-UHFFFAOYSA-N	317.458	3.279	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2nccn2C)cc1	856275855	IYDKPRSPFWUGLH-HNNXBMFYSA-N	322.412	3.319	10	20	DGCD	
Cc1[nH]c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1C=O	860949607	BCSMBGSPPBMRHE-GFCCVEGCSA-N	313.401	3.001	10	20	DGCD	
CC[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1cccc(Cl)c1O	866463951	REZLSYOKJFSGQM-VIRWGQHYSA-N	311.731	3.398	10	20	DGCD	
CC(C)[C@H](N[C@@H](C)c1cc(F)ccc1O)[C@H](O)C(F)(F)F	866464886	ZNXUCUVPNTXGDC-HJIKLVIJSA-N	309.303	3.130	10	20	DGCD	
Cc1csc([C@@H](C)CNC(=O)N[C@H](C)c2ccccc2O)n1	868496095	CUWWOBWAMPZLAP-CMPLNLGQSA-N	319.430	3.321	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(CC(=O)O)CC2)cc1F	901418920	SNPMRTKVWJPKQG-UHFFFAOYSA-N	322.424	3.359	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccns1	1262604407	QNSYPANBRDNVSV-UHFFFAOYSA-N	303.431	3.260	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCc1cccc(C(N)=O)c1	1320419354	DUBXTSMVOXATJS-CJNGLKHVSA-N	324.424	3.180	10	20	DGCD	
C[C@H]1CN(C)CC[C@H]1N(C)Cc1ccc(N2CCCC2)cc1	1343352646	BZTIGDVKMLVCCY-QFBILLFUSA-N	301.478	3.059	10	20	DGCD	
COc1ccccc1CNCc1cc(F)c(N(C)C)cc1F	1348077347	LLZPAPDMZIOCND-UHFFFAOYSA-N	306.356	3.329	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCCCC3)C[C@H]2C(=O)O)cc1	1777039359	HUCKUUBIYHOEJG-KRWDZBQOSA-N	316.445	3.362	10	20	DGCD	
C[C@@H](NCc1ccsc1)c1ccc(N2CCOCC2)cc1	65430054	CCZSYXMKTHKQTM-CQSZACIVSA-N	302.443	3.436	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c1O	74091691	WVKNESUHYCBHDM-HIFRSBDPSA-N	320.433	3.415	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC(CCCN(C)C)CC2)c1	93688678	MIHNJQDDPQWVBH-UHFFFAOYSA-N	320.477	3.345	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@@]2(CCOC2)C1	93820374	QVRLNLPNSGWLDN-CQSZACIVSA-N	302.201	3.311	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(Br)c(F)c1	133747603	ZOGGRDYQTXORCJ-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccnc2C(F)(F)F)cc1	136146075	NICGPOFATNVLBX-UHFFFAOYSA-N	323.318	3.096	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCc1cccc(F)c1F	155929463	SZBVTEPJBDWLRN-UHFFFAOYSA-N	305.324	3.262	10	20	DGCD	
CCS[C@H]1CCCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	180773907	CGRREVOVBLBQOI-KGXGESDWSA-N	321.442	3.245	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1scnc1C1CCCC1	183978014	ILQXBJIPVFRTRV-UHFFFAOYSA-N	318.398	3.142	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1O	191181680	APDJNVCQKIHKQV-SECBINFHSA-N	307.296	3.250	10	20	DGCD	
OCC1CCN(c2ccc(CNc3ccc(F)cn3)cc2)CC1	266010094	NKLLABJZEILBMI-UHFFFAOYSA-N	315.392	3.042	10	20	DGCD	
CC[C@H]1CC[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1	268328169	MNEJWQSOZTVIGS-ROUUACIJSA-N	316.445	3.201	10	20	DGCD	
Cc1nnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)s1	271408328	JMERPTDWZAHDIG-UHFFFAOYSA-N	302.447	3.077	10	20	DGCD	
COc1cccc(N2CC[C@H](N[C@@H](C)c3ccccc3O)C2)c1	272831027	HXJTUFCFCCSTLC-GJZGRUSLSA-N	312.413	3.330	10	20	DGCD	
C[C@@H](NCC1([S@@](C)=O)CC1)c1cc(Cl)c(Cl)cc1O	282464058	VTNMDWSXHBWEAS-LILOVNGRSA-N	322.257	3.261	10	20	DGCD	
CCCOc1ccc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4OC)c(O)c1	289811660	SWJZXXKJFWFKNB-KYYHFZFISA-N	317.429	3.036	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NOC/C=C/Cl	291076286	NOFFDPKCWAJEKB-RMKNXTFCSA-N	312.797	3.388	10	20	DGCD	
COC1(CCN(Cc2ccccc2O)C[C@@H]2CCCO2)CCC1	292909719	WWSFWZIWKYRVLK-KRWDZBQOSA-N	319.445	3.332	10	20	DGCD	
COc1cc(C)ccc1NCc1ccc(N2CCOCC2)cc1	390893415	NGFSXIBMDRYELE-UHFFFAOYSA-N	312.413	3.452	10	20	DGCD	
Oc1c(Br)cccc1CN1CCC(F)(F)CC1	404786200	MBPIGGFGBOUVJB-UHFFFAOYSA-N	306.150	3.386	10	20	DGCD	
COC1(C(=O)NCc2c(C)c3ccccc3n2C)CCCC1	547772620	ZDSKZUWFAJRBSY-UHFFFAOYSA-N	300.402	3.062	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](c2ccccc2)C1	588404648	IEFPCAXRDKFKFM-DZFYGRHCSA-N	309.365	3.127	10	20	DGCD	
C[C@H]1SCC[C@H]1NCc1ccc(Br)cc1O	691463879	CQILZMDDSVPPLT-LDYMZIIASA-N	302.237	3.138	10	20	DGCD	
CC[C@H](NCCOCCF)c1cc(Br)ccc1O	705781130	PPUUVBUPWLJONJ-LBPRGKRZSA-N	320.202	3.182	10	20	DGCD	
C[C@@H](NCc1c(O)cccc1Br)[C@@H]1CCCOC1	706808394	LVEZIJANXVGAMG-GHMZBOCLSA-N	314.223	3.059	10	20	DGCD	
C[C@H](NCc1cc(-c2ccccc2)ccc1O)c1nncn1C	729680493	QZXOKQLMUBUNEW-ZDUSSCGKSA-N	308.385	3.039	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(O)cs2)cc1F	732290086	HWWUIWYHWYZMKY-UHFFFAOYSA-N	322.405	3.369	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCc3ncc[nH]3)c2C)c1	749387532	IQSPYIMFYYRMOU-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
C[C@H]1C[C@H](NCCc2ccc(CO)cc2)c2c(O)ccc(F)c21	756788877	FVWAVODJYRPWPN-LRDDRELGSA-N	315.388	3.404	10	20	DGCD	
COc1c(N[C@@H](C)c2ccc(C)c(C)c2O)cccc1C(N)=O	757660012	YFADEACZZQOGSY-LBPRGKRZSA-N	314.385	3.290	10	20	DGCD	
CO[C@]1(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)CCOC1	763572751	OQPRPSLHZSLHDA-LPHOPBHVSA-N	318.461	3.133	10	20	DGCD	
Cc1cnc(C)c(NCc2cccc(Br)c2O)n1	764935340	RSZMRQLIWDOARD-UHFFFAOYSA-N	308.179	3.174	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1	769148837	TZAABFBNTMGVMA-AWEZNQCLSA-N	320.433	3.142	10	20	DGCD	
CC(C)[C@](C)(O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	771104434	PWRDXCPJVOUARA-IBGZPJMESA-N	318.461	3.042	10	20	DGCD	
COc1ccc(COC(=O)/C=C\c2ccc(O)c(O)c2)cc1F	772764372	FUXMKMBNFCICLU-DAXSKMNVSA-N	318.300	3.002	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)Cc2ccccc21	779489571	QPXUCLZRJJFPTD-FNOHHLHBSA-N	309.365	3.257	10	20	DGCD	
O=C(NC[C@@H]1CCCc2ccccc21)c1c(F)ccc(O)c1O	789954060	AQOVQCMXHSFEEO-LBPRGKRZSA-N	315.344	3.087	10	20	DGCD	
OCCN(Cc1c(O)ccc(Cl)c1F)[C@H]1C[C@H]2CC[C@H]1C2	793328201	LLBVXXAJDDJRAR-MJVIPROJSA-N	313.800	3.168	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cccc(SC)c2)c(O)c1	797606690	LCEDUYZCHJZBQB-UHFFFAOYSA-N	318.398	3.444	10	20	DGCD	
C[C@H](N[C@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1O	799732131	VKAAVDOJNYLGSX-SWLSCSKDSA-N	321.367	3.315	10	20	DGCD	
CN(C)c1ccc(CNc2nc(C(F)(F)F)ns2)cc1	804330387	UMUSHWSMEKQRDE-UHFFFAOYSA-N	302.325	3.235	10	20	DGCD	
COc1cccc(CNc2cc([N+](=O)[O-])ccc2C(C)=O)c1O	807960556	WRHYRBSQFDIZQY-UHFFFAOYSA-N	316.313	3.124	10	20	DGCD	
COC(=O)c1cc(CN(C)c2ccc(OC)c(Cl)c2)cn1C	809637673	YQNINSUYVCSCCC-UHFFFAOYSA-N	322.792	3.110	10	20	DGCD	
Cc1cc(C(=O)OC[C@@H](C)[N+](=O)[O-])c(C)n1-c1ccc(F)cc1	813108562	HQJDIYIQCJPSCQ-LLVKDONJSA-N	320.320	3.055	10	20	DGCD	
CCc1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)ccc1O	813489289	UWUJFOXMSMTTSO-NSHDSACASA-N	315.369	3.160	10	20	DGCD	
Cc1cc(C(=O)O[C@@H](C)C[N+](=O)[O-])c(C)n1-c1ccc(F)cc1	814046184	HCZPTRLDHZTZOF-NSHDSACASA-N	320.320	3.055	10	20	DGCD	
Cc1cc(CN2CCC([C@@H]3CCOC3)CC2)ccc1N(C)C	815091866	SUTWGZMZZAZZFX-GOSISDBHSA-N	302.462	3.310	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCC(=O)Nc2ccccn2)c(O)c1	815569505	WTHDNOZCQLFYBT-AWEZNQCLSA-N	313.401	3.083	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCCC2(C)C)c1O	816665216	XSDAAVQZICFUFB-LBPRGKRZSA-N	308.378	3.225	10	20	DGCD	
C[C@@H](NC[C@H](N)C1CC1)c1ccc(N2CCCCCC2)cc1	817965475	RKRBWKBORRVFBD-BEFAXECRSA-N	301.478	3.455	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1cnc2n1CCC2	824474228	KTVNPRUOCHPLFH-UHFFFAOYSA-N	324.472	3.452	10	20	DGCD	
COc1cccc([C@H]2C[C@H](NCc3c(O)cccc3OC)C2)c1	825090747	GNFDBDAXKGLMFD-SHTZXODSSA-N	313.397	3.445	10	20	DGCD	
Cc1ccc([C@H](C)[C@@H](O)C(=O)N[C@H](C)c2ccccc2O)cc1	827941321	QFNBNZCUQTWZIP-PMUMKWKESA-N	313.397	3.042	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)c(F)c2)cc1OC	832379005	ZLJVTXSKRAWHEN-UHFFFAOYSA-N	319.332	3.178	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2C)[C@@H]1SC	838947012	BGGTYRQEZGOYFG-ZACQAIPSSA-N	308.491	3.060	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CS[C@@H](C)C2)c(C)n1-c1ccccn1	839829427	HMHIQRIUNOSONL-GXTWGEPZSA-N	315.442	3.113	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@@H](O)c1cccc(F)c1	840935292	KSKLCJGXTSSDSJ-IFXJQAMLSA-N	316.420	3.412	10	20	DGCD	
Cc1cc(O)c(CNC[C@@](C)(C(=O)O)c2ccccc2)cc1C	844940719	YBCUKCUOXMKRNK-LJQANCHMSA-N	313.397	3.141	10	20	DGCD	
CCc1cccc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)c1O	848888110	MFWUULZCCXDRKK-GWCFXTLKSA-N	303.324	3.106	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccco1	850565383	DEMUOMBNBNYLTE-AWEZNQCLSA-N	300.402	3.092	10	20	DGCD	
COc1ccc(N(Cc2onc(C)c2[N+](=O)[O-])CC2CC2)cc1	852134799	HSHGZTACLULTMO-UHFFFAOYSA-N	317.345	3.316	10	20	DGCD	
Cc1nc(CCNCc2cc(F)c(N(C)C)cc2F)cs1	858095414	SZPQZRNVLIYWKS-UHFFFAOYSA-N	311.401	3.128	10	20	DGCD	
Oc1cccc(Br)c1CN1CCC[C@@H]1c1ncc[nH]1	862327072	XRJSMQLPLSJEOA-GFCCVEGCSA-N	322.206	3.215	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2sccc2C)c1	862757901	HYYBTKMAPULPMO-KGLIPLIRSA-N	301.411	3.490	10	20	DGCD	
CCOc1ccc(CNCCC2CCN(C(C)C)CC2)c(O)c1	865717388	XPDDUJURZSRZOQ-UHFFFAOYSA-N	320.477	3.391	10	20	DGCD	
CN(C(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(N)cc1	877080925	RLJJWKDQZMKCJI-UHFFFAOYSA-N	322.408	3.383	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](CF)C2)cc1	883157560	CALOBYBCNNMWLQ-OAHLLOKOSA-N	307.413	3.034	10	20	DGCD	
COc1ccc(CCN[C@@H](C)c2c(O)cccc2F)cc1OC	886487449	FDGSAPGXXBODDC-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
COc1ccc(CN(C)[C@H]2C[C@@](C)(OC)C2(C)C)c(O)c1OC	892203088	QEOZLTWSKRPIIB-KBXCAEBGSA-N	323.433	3.045	10	20	DGCD	
Cc1ccc(CN2CC(c3nc(-c4ccccc4)no3)C2)c(O)c1	897319144	ASWNAHCSAQBPGX-UHFFFAOYSA-N	321.380	3.350	10	20	DGCD	
Cc1cc(COC(=O)c2cc(C)n(-c3ccccn3)c2C)no1	914906668	PSXMWIGSMOBHKD-UHFFFAOYSA-N	311.341	3.143	10	20	DGCD	
COc1ccc(CNC2CCC(NC(=O)C(C)C)CC2)cc1C	1026455386	ZQWCBUURGPUQBB-UHFFFAOYSA-N	318.461	3.177	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@H](F)C1	1118127694	MSYGHUBNTNAHBZ-LSDHHAIUSA-N	307.413	3.175	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@@H]3OCCC[C@H]3C2)cc1F	1330090962	GHJWNWIUBAREEV-SJCJKPOMSA-N	310.388	3.032	10	20	DGCD	
COC(=O)[C@](C)(NCc1cc(C)c(C)cc1O)c1ccccc1	1352879442	VBVZLNHKXOPPDX-LJQANCHMSA-N	313.397	3.187	10	20	DGCD	
CC1(C)C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1	1353515242	WBUFCTSAPGAMGO-INIZCTEOSA-N	316.445	3.108	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCc2cc[nH]n2)c1C	1528771641	SCGLTEFTMRRQHA-UHFFFAOYSA-N	322.412	3.098	10	20	DGCD	
CC(C)CCc1noc(CSc2ncc(C(=O)O)s2)n1	1591274594	TYKRDTJZOANYEY-UHFFFAOYSA-N	313.404	3.105	10	20	DGCD	
COc1cccc(CN(C)c2ccc(OCC(=O)O)cc2)c1C	1607321940	FMNPJFVJUFELQB-UHFFFAOYSA-N	315.369	3.103	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@H](CC(=O)O)[C@@H]1C	1610466129	DTNDTDHEXVTJMP-JJRVBVJISA-N	304.434	3.040	10	20	DGCD	
CCCOc1ccc(CN[C@H](C(=O)O)c2ccns2)cc1C	1776818549	LDKLYMMBXXOQHF-HNNXBMFYSA-N	320.414	3.156	10	20	DGCD	
CN(C)c1ccc(CNCc2cc(F)c(C(=O)O)c(F)c2)cc1	1777040097	WJGVMJKDMHJZGL-UHFFFAOYSA-N	320.339	3.019	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc(F)c(F)c2)c1O	104973607	QDWCUQKUBNZREG-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cnc(Cl)s1	130451859	MHVYHYKXXISHBP-UHFFFAOYSA-N	309.822	3.262	10	20	DGCD	
Oc1cc2c(cc1CNC1(c3ccccc3F)CC1)OCO2	130538329	AXSGMYWOSXAYBL-UHFFFAOYSA-N	301.317	3.039	10	20	DGCD	
CN(Cc1cccc(Br)c1O)C[C@@H]1CCCCO1	132601529	QXXRHMDKJJVMNO-LBPRGKRZSA-N	314.223	3.156	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1	133704925	RNLOVCSIMOOURO-OAHLLOKOSA-N	320.433	3.094	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCc2sccc21	137391756	FBWGPLJCDLOJPO-VUDGCMKMSA-N	315.394	3.366	10	20	DGCD	
CC[C@@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	156270741	XNRZDFVZHBGECE-CQSZACIVSA-N	306.406	3.052	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3cc4c(cc3O)CCCC4)CC[C@@H]21	160434298	WSYMHDFXUPCKEP-HKUYNNGSSA-N	314.473	3.187	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1	166256778	YCQVJQZHXWGCFM-YQQAZPJKSA-N	301.478	3.419	10	20	DGCD	
CN(CCCn1ccnc1)Cc1ccc(N2CCCCC2)cc1	182668252	BDZJBERRRAECDN-UHFFFAOYSA-N	312.461	3.396	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](C)c2c(C)noc2C)c1	186157627	NYSYMQMYMJXKDU-QWRGUYRKSA-N	304.390	3.460	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@](C)(O)c2ccc(F)cc2)c1	186189792	RZMZDNBRABRPQU-KPZWWZAWSA-N	319.376	3.098	10	20	DGCD	
CCCN(Cc1cc(C(=O)OC)c(C)o1)c1ccc(CN)cc1	194980651	OVBXLUNFXNAAOH-UHFFFAOYSA-N	316.401	3.250	10	20	DGCD	
COc1cc(Cl)cc(CNCCc2csc(C)n2)c1O	230934040	CVRTUZXCCNYPBN-UHFFFAOYSA-N	312.822	3.151	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2CC[C@H](SC)C2)c1O	230935002	QHPLAPLMDYHWSZ-RYUDHWBXSA-N	301.839	3.428	10	20	DGCD	
CO[C@H](C)c1nc(CNCc2ccc3c(c2)CCO3)cs1	267648777	TWTWYBWLOAHVQL-LLVKDONJSA-N	304.415	3.075	10	20	DGCD	
CCN(C[C@H](O)COCc1cccs1)c1ccc(OC)cc1	269653697	VSXYDLRIXUDIGD-HNNXBMFYSA-N	321.442	3.161	10	20	DGCD	
COc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c(OC)c1	273472136	JUXDPFGXHDMKCM-SNVBAGLBSA-N	318.329	3.491	10	20	DGCD	
Cc1ccc([C@H](C)NCCNC(=O)OC(C)(C)C)c(O)c1C	273614497	WXRUIIOYNODVPC-ZDUSSCGKSA-N	308.422	3.184	10	20	DGCD	
CCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1F	278254508	MVVULTQKKRPBDH-XYOKQWHBSA-N	311.403	3.446	10	20	DGCD	
CC[C@H](NC[C@H]1CCCN(C(C)=O)C1)c1ccc(N(C)C)cc1	280838522	AJGRLDYCHIVZMJ-APWZRJJASA-N	317.477	3.052	10	20	DGCD	
COC(=O)c1cnoc1CN(c1ccc(OC)c(F)c1)C(C)C	285774555	WXVSHIGBPABAID-UHFFFAOYSA-N	322.336	3.024	10	20	DGCD	
CC[C@H](NC1CCN(CCCOC)CC1)c1ccc(F)cc1O	285951536	GEPRXEDPXZRUEC-KRWDZBQOSA-N	324.440	3.073	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1ccc(Br)cc1O)C1CC1	293636849	GWCYGRCLQINYFK-LKFCYVNXSA-N	314.223	3.230	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CCCN2)c1O	317642637	QNEUKZIOBCIGII-HUUCEWRRSA-N	324.852	3.161	10	20	DGCD	
CCSCCCNC(=O)NCc1c(C)c2ccccc2n1C	336934972	CXDBTDBSDYXFOC-UHFFFAOYSA-N	319.474	3.429	10	20	DGCD	
COc1ccc([C@H](NCc2cccc(OC)c2O)C2CC2)cn1	527842284	WNNFLUCBXFFZJY-QGZVFWFLSA-N	314.385	3.045	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CCCCN(C)C)cc1	729512833	SVDHZCMNPCBYGM-UHFFFAOYSA-N	319.493	3.223	10	20	DGCD	
CC[C@H]1CCCCN1C(=O)[C@@H](C)N(C)Cc1ccccc1O	731843844	YVBWQPVYNJWWJL-ZBFHGGJFSA-N	304.434	3.004	10	20	DGCD	
C[C@@H](CN1CCC[C@@H](C)C1)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756459362	NUBAJRJCQPNBQC-RDBSUJKOSA-N	321.421	3.071	10	20	DGCD	
C[C@H](NCC(=O)N(C)C1CCCCC1)c1cc(Cl)ccc1O	756638320	OFXVSBBLEDAXSF-LBPRGKRZSA-N	324.852	3.487	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CC[C@@H](C4CC4)C3)ccc21	764370721	DUMDHXWTMDIGNT-QGZVFWFLSA-N	313.445	3.011	10	20	DGCD	
CCOc1ccc(CN2CCN(c3cccs3)CC2)c(O)c1	769504210	PRCASCHCTJFORF-UHFFFAOYSA-N	318.442	3.175	10	20	DGCD	
CC(C)CCO[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773017657	IBSKEBQBNRUDDP-LSDHHAIUSA-N	306.450	3.381	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCc3ccc(C)cc32)c1O	775057682	PFIFAJLAVVPUNS-UHFFFAOYSA-N	314.341	3.180	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2c(F)cccc2F)cc1	784562950	BVKOKSCMQGYFJU-UHFFFAOYSA-N	321.323	3.153	10	20	DGCD	
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccccc1O	789428286	NEEUWFDDVGOPIK-UHFFFAOYSA-N	315.329	3.239	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCSC2)cc1F	810370667	KEUFCXLUBZWLGZ-AWEZNQCLSA-N	324.465	3.431	10	20	DGCD	
Cc1ccc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)o1	813682322	BVNWRBARFVUSNC-UHFFFAOYSA-N	314.168	3.459	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCCN2CCCCCC2=O)c(O)c1	815553791	KBFHHMLKQJTMND-MRXNPFEDSA-N	318.461	3.452	10	20	DGCD	
OCC1(CNCc2cc(Cl)c(F)cc2O)CCCCC1	816555571	JJFQXAYLDQOFFQ-UHFFFAOYSA-N	301.789	3.217	10	20	DGCD	
C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1(F)F	817525724	UEXKGWPGSYOMPN-INIZCTEOSA-N	308.372	3.338	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN(C)C2CC(O)C2)cc1	824166422	FFAPKZHRFHVIEX-UHFFFAOYSA-N	316.470	3.340	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](c3ccnn3C)C2)cc1Cl	824600988	FKGNPOCGLHAGAB-ZDUSSCGKSA-N	319.836	3.467	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC(C)(C)C2CCC2)c1O	824790286	QJYHRTRAKABDOE-UHFFFAOYSA-N	308.378	3.225	10	20	DGCD	
CCn1ccnc1[C@H](C)NCc1ccc(Br)cc1O	826074521	CVJYTROLADMFBW-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc2ccc(=O)oc2c1	830394659	KPGAFUFTKVHQDW-UHFFFAOYSA-N	314.293	3.226	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCC(C)(C)C2)cc1	832266830	JLZLTGDGJGDSHT-DOTOQJQBSA-N	317.477	3.085	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccc(C(=O)O)o2)c1	833733814	RIDQRZUBHPJOPE-ZJUUUORDSA-N	305.330	3.104	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)Nc1ccccc1	840934336	ONCHKZLDEVTQCZ-HNNXBMFYSA-N	311.429	3.178	10	20	DGCD	
COC(=O)C(C)(C)CCN[C@H](C)Cc1ccc(N(C)C)cc1C	840977076	QREMARGOBYFAQD-OAHLLOKOSA-N	320.477	3.171	10	20	DGCD	
CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc(N)cc1	841299855	IYCLLCMDJORMSC-SWLSCSKDSA-N	305.422	3.232	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCCCS1	845103900	AKWAPBHZFBFIQZ-LBPRGKRZSA-N	314.838	3.131	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@@H](C)CCO)c1C	846602812	WPHDUEHOSCOGQG-AWEZNQCLSA-N	314.429	3.245	10	20	DGCD	
COc1cc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c(O)cc1C	853572426	SDCHRPUMBKFPTG-YJBOKZPZSA-N	319.445	3.490	10	20	DGCD	
Cc1ccc(CCNCc2c(O)cccc2Br)cn1	858133674	UOMJOXWNQWMETQ-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
C[C@H](NCc1cc2c(nc1O)CCCC2)c1cc(F)ccc1O	866640231	CKKZHDLXQLPKGE-NSHDSACASA-N	316.376	3.362	10	20	DGCD	
C[C@@H](Cc1cccs1)NC(=O)N[C@H](C)c1ccccc1O	868045281	WGUJVOXPPPTBNO-NWDGAFQWSA-N	304.415	3.445	10	20	DGCD	
COc1cc(C)ccc1CNC(=O)N[C@H](C)c1ccccc1O	868396918	WDRSWLWPVTWCGA-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
COc1ccc(CN[C@@H](C)CCc2ccco2)c(O)c1OC	892415591	KYILIQHFTYKTDS-LBPRGKRZSA-N	305.374	3.113	10	20	DGCD	
CCC[C@@H](NCc1ccc(OC)c(OC)c1O)c1ccccn1	892910482	CXBLICSUAPPUPN-CQSZACIVSA-N	316.401	3.435	10	20	DGCD	
C[C@H](O)CCN(C)Cc1cc(Cl)cc(Br)c1O	894033269	FNFAXPLJQFYJKD-QMMMGPOBSA-N	322.630	3.011	10	20	DGCD	
C[C@@H](NC(=O)N1C[C@H]2CCC[C@H]1C2)c1ccc(N(C)C)cc1	894286300	OIHDHWGLWWEKHF-KEYYUXOJSA-N	301.434	3.398	10	20	DGCD	
CC(C)(C)C[C@H](CC(=O)O)NCc1cc(F)cc(F)c1O	904010624	KOAXVTUCMOOXKT-NSHDSACASA-N	301.333	3.040	10	20	DGCD	
Cc1ccc(C)c(NC(=S)NCc2cc(N(C)C)ccn2)c1	905619738	YXDHZZPIBGMIAZ-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@]12CCCc1ccccc12	910950149	DETHFAQFAAKJDJ-PXNSSMCTSA-N	323.392	3.008	10	20	DGCD	
CC1CCN([C@@H](CNCc2ccc3c(c2)CCO3)C(C)C)CC1	917394709	PGOCVPSQBAGRLA-IBGZPJMESA-N	316.489	3.468	10	20	DGCD	
CCNC(=O)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1	921533015	DQGUCOLQODYCKS-UHFFFAOYSA-N	324.424	3.051	10	20	DGCD	
CC(C)n1cc([C@@H](C)NCCCSc2nccs2)nn1	925104366	XSTAWTCHPTXMME-LLVKDONJSA-N	311.480	3.149	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1c2ccccc2C[C@@H]1O	1116584289	CZLVPKIUZYCLGH-NRULZOBBSA-N	309.409	3.497	10	20	DGCD	
CN1CCC(CN(C)Cc2ccc(N3CCCC3)cc2)CC1	1204327475	VEYNRYUQBKJGAV-UHFFFAOYSA-N	301.478	3.060	10	20	DGCD	
C[C@@H](Cc1cccc(O)c1)NC(=O)N[C@H](C)c1ccccc1O	1330141200	ZDTIJNXCRTUUAP-QWHCGFSZSA-N	314.385	3.089	10	20	DGCD	
CC(=O)c1ccccc1OCCSc1ncc(C(=O)O)s1	1589316287	PDKASEVLDWZUJL-UHFFFAOYSA-N	323.395	3.215	10	20	DGCD	
C[C@@H](NC[C@](C)(O)C1CCCCC1)c1cc(C(=O)O)ccc1O	1593240708	ROKYGDGTACLLSJ-XIKOKIGWSA-N	321.417	3.072	10	20	DGCD	
CN(C)c1ccc(OCc2csc(Cl)n2)cc1C(=O)O	1598330338	UWKVRGRTDTXHDZ-UHFFFAOYSA-N	312.778	3.140	10	20	DGCD	
COc1ccc(CNc2cccc(C(=O)O)c2C)c(O)c1OC	1599574710	MJMDHYFNALOEFT-UHFFFAOYSA-N	317.341	3.028	10	20	DGCD	
CCOc1cccc(CN(CCOC)Cc2ccc(C)o2)c1O	93707195	VFRXKLCMTGDKMC-UHFFFAOYSA-N	319.401	3.341	10	20	DGCD	
C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N(C)Cc2ccccc2O)[C@@H]1C	109771630	NQPNQRHRBYQKHV-ANQUJSFKSA-N	318.461	3.153	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccoc1	178538644	LOBAYMWKTTZVBX-HNNXBMFYSA-N	314.429	3.339	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O	179879593	WVBLZSHYOPDSAR-KGLIPLIRSA-N	320.433	3.442	10	20	DGCD	
CSc1cccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1	181014730	LYXVMQJEPAYKER-VQHVLOKHSA-N	315.394	3.496	10	20	DGCD	
Oc1c(Cl)cccc1CN[C@H]1CCO[C@@]2(CCSC2)C1	182636185	USYZMBOXLJPGEE-WFASDCNBSA-N	313.850	3.190	10	20	DGCD	
C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	183513694	HQESWEFCHRXNRH-ZIAGYGMSSA-N	320.433	3.442	10	20	DGCD	
CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1	185581881	ZVQTZVQPFJQYLK-KRWDZBQOSA-N	318.461	3.306	10	20	DGCD	
O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cccc(O)c1O	185795719	QZRDNQUXUHEGHQ-UHFFFAOYSA-N	317.316	3.421	10	20	DGCD	
CN1CCc2cc(/C=C3\N=C(c4cccs4)OC3=O)ccc21	254994086	ZIUGPWKBVWUUQP-RAXLEYEMSA-N	310.378	3.085	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N(C)C3CC3)ccc21	264193552	QTCOKTRSVJVZIH-UHFFFAOYSA-N	300.402	3.139	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CCCCO1	264636385	CLUGFMCCSJDDBM-GOSISDBHSA-N	318.461	3.450	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C	273481232	MEDXDPZRCUYGGQ-UONOGXRCSA-N	304.434	3.059	10	20	DGCD	
COc1ccc2c(c1)[C@H](C(=O)NCc1ccc(N(C)C)cc1)CC2	277147029	AKPHSFHIWNYAPQ-GOSISDBHSA-N	324.424	3.107	10	20	DGCD	
CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O	278231603	MTINNSMLYRDEPU-UHFFFAOYSA-N	316.357	3.331	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCCC[C@@H](C)O)c1O	279222864	ZCPPEZBLFFJMQR-GHMZBOCLSA-N	316.239	3.275	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCC(F)(F)C1	281895553	MIYHKFOURSTUMG-GFCCVEGCSA-N	324.371	3.304	10	20	DGCD	
Cc1noc([C@H]2CCCCN2Cc2ccc(N(C)C)c(F)c2)n1	289800598	MTQJSKGFYFAFFT-MRXNPFEDSA-N	318.396	3.310	10	20	DGCD	
CCOc1ccc(O)c(CNCCCCCN2CCCC2)c1	293069493	SSXHMNJVLQOKNN-UHFFFAOYSA-N	306.450	3.147	10	20	DGCD	
Oc1cccc2c1[C@H](NCCCn1cnc3ccccc31)CC2	296218076	ZSBDSBRMOHAUBY-MRXNPFEDSA-N	307.397	3.409	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCc3cccc(O)c32)cc1F	297933931	XURNRVOWNALXOS-HNNXBMFYSA-N	300.377	3.374	10	20	DGCD	
CO[C@]1(C)CCCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	369797166	SJEJXVSNNNOTDJ-QGZVFWFLSA-N	309.381	3.125	10	20	DGCD	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)c1csnn1	398290495	BZYNMEXRISTHJA-ZCFIWIBFSA-N	304.202	3.401	10	20	DGCD	
COCCOCCOc1ccc2c(c1)c1c(n2C)CCCC1	647164550	ZVWHAMFBYSOZLE-UHFFFAOYSA-N	303.402	3.099	10	20	DGCD	
Cc1ccccc1[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	725780395	UMADJSAQFSPHND-AWEZNQCLSA-N	311.381	3.419	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1csc2ccccc12	728700229	ZPONXTGJQWELRJ-XNTDXEJSSA-N	320.373	3.363	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC2CCOCC2)cc1	735245686	MLAUUMBJLNQGKJ-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2nonc2C)c1C	735929038	UQHWPOQNKCAFDI-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
CCC(CC)(CNC(=O)NCc1ccc(N(C)C)cc1)SC	743697274	GHZFYMCETHHGBK-UHFFFAOYSA-N	323.506	3.474	10	20	DGCD	
Cc1ccc(Cl)c(OCC(=O)NCc2ccccc2O)c1	748354893	OWZICCNOWZZYNM-UHFFFAOYSA-N	305.761	3.049	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@]2(C)CCO[C@H]2C)c1O	753577378	USAOUTTUXMMXGA-HZMBPMFUSA-N	314.223	3.120	10	20	DGCD	
CC(C)CN1CCC(N[C@@H](C)c2cc(F)cc(F)c2O)CC1	756393717	TULCOGPYRITYFS-LBPRGKRZSA-N	312.404	3.441	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@]2(O)CCc3ccccc32)c(O)c1C	756771519	XPELVJRYZAVPQN-FOIQADDNSA-N	311.425	3.494	10	20	DGCD	
CC(C)(C)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768446239	LROPACMFOGHOBO-WMLDXEAASA-N	319.445	3.466	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@@H](C)S1	769141828	MQEPCMWBCNMCSU-NXEZZACHSA-N	316.264	3.481	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nc(C)c(C)s1	770495382	MHFUIDALSYGALO-UHFFFAOYSA-N	303.431	3.064	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H](CN(C)CC3CC3)C2)cc1	773755998	SLIJERVIJGXVPV-LJQANCHMSA-N	315.505	3.306	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1	775143841	CDRXSVDZGRJDNT-TVQRCGJNSA-N	323.742	3.181	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H]1C(=O)NC)c1cc(Cl)ccc1O	775524709	GVFLPOKBEUGFIE-FPMFFAJLSA-N	310.825	3.001	10	20	DGCD	
CSCC[C@@H](C)N(C)Cc1ccc(N2CCN(C)CC2)cc1	775715118	WMYZXYSIRGDCTH-MRXNPFEDSA-N	321.534	3.012	10	20	DGCD	
COC(=O)c1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1	775833612	FJSHAHKLYOEIOD-CQSZACIVSA-N	312.413	3.390	10	20	DGCD	
CC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCCCC1	784630101	PAWJUKSAUNXCNQ-UHFFFAOYSA-N	306.358	3.184	10	20	DGCD	
CC1CCC(OCC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	792876904	AFSDYTDPUQWYOA-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
O=C(NCC(F)(F)F)c1ccc(NCc2ccccc2O)cc1	796366912	NJSXGHXOPRWBPG-UHFFFAOYSA-N	324.302	3.296	10	20	DGCD	
C[C@H](N[C@H]1CCCC[C@H]1CN)c1cc2c(cc1O)CCCC2	817960146	KYZSKWOMZHTCOU-OWQGQXMQSA-N	302.462	3.439	10	20	DGCD	
CCC/C(C)=C\C(=O)N(CC(=O)OCC)Cc1ccccc1O	819696345	QLSFOWUJIDDKHX-KAMYIIQDSA-N	319.401	3.030	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN=c3cc[nH]cc3Cl)C2)cc1	819934945	IXNNGWPYSPCPPG-ZDUSSCGKSA-N	317.820	3.104	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(Br)ccc2O)C[C@H]1C	824815771	YZCJLJUBKVVMMN-YGRLFVJLSA-N	314.223	3.012	10	20	DGCD	
COc1cc(CN2CCC[C@H]([C@@H](C)O)C2)c(O)c(C(C)(C)C)c1	825451664	XGIRRIBGBIMQRU-KGLIPLIRSA-N	321.461	3.291	10	20	DGCD	
COc1cc(CN2C[C@H](C)[C@@](C)(CO)C2)c(O)c(C(C)(C)C)c1	827692390	IIXVKAJMRAJELX-ORAYPTAESA-N	321.461	3.149	10	20	DGCD	
CO[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(Br)ccc1O	834886803	NEEZYJLBGKYDDU-MRCXROJRSA-N	314.223	3.373	10	20	DGCD	
C[C@H](NC[C@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1O	834887026	XOWSNIUFRCTVFF-VHSXEESVSA-N	300.305	3.386	10	20	DGCD	
CCC[C@@H](CC)NCc1cc(F)c(N2CCOCC2)c(F)c1	839143719	BJJQWLXDBUDLFA-CQSZACIVSA-N	312.404	3.470	10	20	DGCD	
COc1cc(O)c(CN2CC(C)(CC(F)(F)F)C2)cc1OC	839146234	ZUABEJSLPDAUJS-UHFFFAOYSA-N	319.323	3.184	10	20	DGCD	
Oc1ccccc1CN1CCC(Oc2ccc(Cl)cn2)CC1	839192099	GUNBVEMCXUXRGJ-UHFFFAOYSA-N	318.804	3.484	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]2C[C@H]21	840483881	LXIQYNHCUMBCNT-YXJHDRRASA-N	315.461	3.186	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CCO)Cc1ccccc1	840942493	WADHWEXGKLYERK-IBGZPJMESA-N	312.457	3.144	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@@H](C)CCCCN)c1	841081478	WMFJVGPQGFUOCM-NSHDSACASA-N	315.255	3.070	10	20	DGCD	
COc1cc(C)cc(CN2CCC(OC3CCC3)CC2)c1O	841687282	BEZIQKGCVCMZHC-UHFFFAOYSA-N	305.418	3.243	10	20	DGCD	
C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1O	841752001	PWDWZITWMNUHAK-XHDPSFHLSA-N	323.795	3.439	10	20	DGCD	
Nc1cccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1	843356394	MVNGRJVADRQZSH-GOSISDBHSA-N	312.413	3.156	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cn(C(C)C)nc2C)c1	845972674	SKHWQVYDCBMCBY-ZDUSSCGKSA-N	303.406	3.337	10	20	DGCD	
CCc1cccc(CNc2ccccc2C[S@](C)=O)c1O	848903265	OWKPNQNHUYIWPW-NRFANRHFSA-N	303.427	3.445	10	20	DGCD	
COC[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(OC)c1	850361844	FUIGKOYJTPDQTC-GOSISDBHSA-N	313.397	3.107	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2COc3cc(F)ccc3C2)c1	850537029	MJEXWIGFJRVUNI-IUODEOHRSA-N	301.361	3.494	10	20	DGCD	
CN(C)c1ccc(CN(C)[C@@H](c2ccccc2)c2nc[nH]n2)cc1	852151700	KUMNKXWVZRUHDO-SFHVURJKSA-N	321.428	3.092	10	20	DGCD	
OC1CCN(c2ccc(CNc3cccc(Cl)n3)cc2)CC1	853955042	BTKVCANWOMLQKN-UHFFFAOYSA-N	317.820	3.308	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)c2nccn21	858171766	CQDCJOPLTZEZDX-QMTHXVAHSA-N	306.360	3.023	10	20	DGCD	
CN1CCCC[C@H](CNCc2c(O)ccc(Cl)c2F)C1	858245034	BADONDJGYYXMJF-LLVKDONJSA-N	300.805	3.006	10	20	DGCD	
CCC[C@H](OCC)C(=O)NCc1ccc(N2CCCC2)cc1	858451758	ANWALCMIZROIRH-KRWDZBQOSA-N	304.434	3.108	10	20	DGCD	
CCN(C)c1ccc(CN2CCc3nc(C4CC4)ncc3C2)cc1	859796107	DGJCKSHYOAZECD-UHFFFAOYSA-N	322.456	3.368	10	20	DGCD	
Cc1cccc(CN(C)Cc2cc(F)c(N(C)C)cc2F)n1	862248864	SXJOWWJNIWZLIU-UHFFFAOYSA-N	305.372	3.366	10	20	DGCD	
C[C@@H]1CCSCCN1Cc1cc(F)c(N(C)C)cc1F	862343560	SMOQNXLAGNQCBS-LLVKDONJSA-N	300.418	3.358	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCOc2ccccc2F)c1	862759006	SXGADBYDRXYRCT-UHFFFAOYSA-N	317.360	3.315	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@H](C)CC2(C)OCCO2)c(O)c1	866426807	DWUCGZAOONZHGV-HIFRSBDPSA-N	307.434	3.449	10	20	DGCD	
C[C@@H](NC[C@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1O	873294269	RKNXCPCNVQIDGD-IAQYHMDHSA-N	318.367	3.036	10	20	DGCD	
C[C@@H](Cc1ccc(O)cc1)NC(=O)N[C@H](C)c1ccccc1O	875143058	HNRPTCOJEGLQET-QWHCGFSZSA-N	314.385	3.089	10	20	DGCD	
COCc1cc(NCc2c(C)cccc2O)cc(C(=O)OC)c1	877547490	YMCQOTDNKASZOA-UHFFFAOYSA-N	315.369	3.246	10	20	DGCD	
OC1CCN(c2ccc(CN3C[C@@H]4CCCC[C@@H]43)cc2)CC1	877620226	GOADLDBYUBQZPS-LPHOPBHVSA-N	300.446	3.022	10	20	DGCD	
COc1ccc(CNCCc2c(C)cccc2C)c(O)c1OC	893170300	HRMUKIOULZJBIS-UHFFFAOYSA-N	315.413	3.359	10	20	DGCD	
CCc1ccc([C@H](COC)NCc2cc(C)cc(OC)c2O)o1	894269666	ULLOYQFYWQITPR-HNNXBMFYSA-N	319.401	3.342	10	20	DGCD	
COc1cccc(CN(Cc2ccccn2)CC(C)C)c1O	896666049	WIAUJJZGOMTVQY-UHFFFAOYSA-N	300.402	3.454	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CC[C@H]2C[C@H]2C1	1122833558	UYLJIMUARXZEDY-RYUDHWBXSA-N	318.446	3.214	10	20	DGCD	
O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)C2	1319948733	RHALTQIHSOSRJJ-UHFFFAOYSA-N	304.733	3.470	10	20	DGCD	
CC(C)c1oncc1C(=O)NCc1ccc2c(c1)CCCN2C	1347527793	KUYZWWFXRHGNCB-UHFFFAOYSA-N	313.401	3.110	10	20	DGCD	
CN(C)c1ccc(OCCOc2cccc(F)c2)cc1C(=O)O	1598328692	YEHMMBVEVPRHQJ-UHFFFAOYSA-N	319.332	3.048	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(=O)O)sc2C)c(OC)c1	1599584610	ZOFPJMXWXWLKQX-UHFFFAOYSA-N	321.398	3.408	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cccc(F)c2F)cc1	65427774	RHYYGSVPBONKME-UHFFFAOYSA-N	305.328	3.353	10	20	DGCD	
CCOc1cc(NCc2cc(OC)ccc2O)ccc1[N+](=O)[O-]	92654514	UWWCPEOKESKGJG-UHFFFAOYSA-N	318.329	3.320	10	20	DGCD	
COc1cccc([C@@H](CNCc2cc(C)ccc2O)N(C)C)c1	103854801	GHQLHWONVAWIMN-GOSISDBHSA-N	314.429	3.102	10	20	DGCD	
CN(C)C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	125463477	RSNBYTLEIBIGOF-SFHVURJKSA-N	301.478	3.060	10	20	DGCD	
COCCCN(Cc1ccncc1)Cc1cc(C)cc(C)c1O	164304877	WTPZQOSJIAEXMO-UHFFFAOYSA-N	314.429	3.443	10	20	DGCD	
COc1cccc(CNC(=O)Nc2c(C)cccc2F)c1O	182780588	QUOKOAIQPZFMQR-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2cc(=O)n3ccccc3n2)cc1	191582906	JEIZXHIIJUOFNH-UHFFFAOYSA-N	323.396	3.118	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@](C)(Cc2ccccc2)[C@@H](C)O)c1	191713122	CDHRLTUVOSIRGO-OXQOHEQNSA-N	313.441	3.420	10	20	DGCD	
COc1ccc(OC(C)C)c(NC(=O)Cc2ccc(N)cc2)c1	237209377	WOBOLZOFVVQIID-UHFFFAOYSA-N	314.385	3.246	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCN2CCC[C@H]2C1	252667788	NYMJNZBFCOPNNC-OLZOCXBDSA-N	315.244	3.415	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COC(C)(C)C	272068597	BTDGFLUQNKSNSY-UHFFFAOYSA-N	306.450	3.305	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1C	273481231	MEDXDPZRCUYGGQ-KGLIPLIRSA-N	304.434	3.059	10	20	DGCD	
CO[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)C1	279669104	HLOPVKRXWMBZEU-UKRRQHHQSA-N	322.424	3.103	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CCO1	279772516	AKKOPAVPISRSKU-DGCLKSJQSA-N	316.367	3.429	10	20	DGCD	
CCN(C[C@@H](C)OC)C(=O)NCc1ccc(N(CC)CC)cc1	291473358	KSOKBGAFXUWWOO-OAHLLOKOSA-N	321.465	3.099	10	20	DGCD	
CN1CC[C@]2(CCN(Cc3ccc(N4CCCCC4)cc3)C2)C1	292796225	MZYKIQVCPIWSRG-FQEVSTJZSA-N	313.489	3.205	10	20	DGCD	
C[C@H](OCc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O	294798309	IDZUZSIDQBAIAC-ZDUSSCGKSA-N	317.360	3.095	10	20	DGCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)[C@@H](O)c1ccc(F)cc1	297909319	WPBWQKXIZKDYIH-BKGUAONASA-N	301.361	3.230	10	20	DGCD	
CCOC(=O)C1CCC(N[C@H](C)c2cc(OC)ccc2O)CC1	321316755	PVLRRIHJYRVZIM-IYXRBSQSSA-N	321.417	3.173	10	20	DGCD	
Cc1cncc(CCC(=O)NCc2c(C)c3ccccc3n2C)c1	352080191	VTLAIOJIGQLKRR-UHFFFAOYSA-N	321.424	3.439	10	20	DGCD	
CC(C)O[C@@]1(C)C[C@H]1NCc1cc(Br)ccc1O	527797222	ATSPYYSHEZESJD-KGLIPLIRSA-N	314.223	3.200	10	20	DGCD	
CC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCOCC1	726770423	VPEYOIUEPHLFDF-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(O)cs1	732352728	DGWAZJYNRJNGNO-JTQLQIEISA-N	319.382	3.200	10	20	DGCD	
O=C(COC(=O)c1cc(O)cs1)c1ccc(F)c(Cl)c1	736822887	AOTRAJUPQVVWRC-UHFFFAOYSA-N	314.721	3.286	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(F)cc2)c1	756339616	DFGINXNJMKBTOT-NSHDSACASA-N	303.333	3.169	10	20	DGCD	
CO[C@H](CN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21)C(F)(F)F	756835118	MTYWDSQPRBUXOH-BCMRRPTOSA-N	307.287	3.247	10	20	DGCD	
COc1cc(F)c(NC(=O)NCc2ccccc2O)cc1F	758629162	YMHNBADUUBOXBX-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](c2ccccc2)C1=O	761580437	UEKSSSAIWOXGRX-CXAGYDPISA-N	323.396	3.107	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]2C[C@@H](C)O)cc1F	769450171	BNBMONLTGRYSIF-GDBMZVCRSA-N	308.441	3.407	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]2C(C)(C)C)c1O	774877434	XLKWIAJOKNPSIX-ZDUSSCGKSA-N	308.378	3.320	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1O	774943466	ULELQFGZEKCCDG-UHXUPSOCSA-N	320.389	3.223	10	20	DGCD	
Cc1cccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O	775691509	YMMJYMZADRLCIN-AWEZNQCLSA-N	320.433	3.142	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1Cc1ccc(N2CCOCC2)c(F)c1	775997425	ASMWQYAPVBYOEU-WMLDXEAASA-N	306.425	3.283	10	20	DGCD	
COc1cccc(CNCCc2ccc(F)c(F)c2F)c1O	784629640	MRLWQVFHRYBOFP-UHFFFAOYSA-N	311.303	3.150	10	20	DGCD	
CC[C@@H]1C[C@H]1NC(=O)N(C)Cc1ccc(N(CC)CC)cc1	798106123	SSXHXTOBUVGVMK-NVXWUHKLSA-N	303.450	3.473	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](CO)CC(F)(F)F)c1O	808707858	AXQQACXKCGBOIN-WCBMZHEXSA-N	311.731	3.318	10	20	DGCD	
CCCNC(=O)OC[C@@H]1CCCCN1Cc1cc(F)ccc1O	809726865	WOGOCWRJJIQKMH-HNNXBMFYSA-N	324.396	3.022	10	20	DGCD	
NC(=O)Nc1cc(NCc2cc(Cl)ccc2O)ccc1F	814301359	XICULQDZEYSLGI-UHFFFAOYSA-N	309.728	3.287	10	20	DGCD	
CO[C@@H]1CCC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	815835734	DAFCHZRLZGYMPM-HUUCEWRRSA-N	317.429	3.092	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@@H]1Cc2cccc(O)c2C1	816591748	MXGSBJWFDAWWPH-LLVKDONJSA-N	307.752	3.147	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCc2cccnc21	816866650	ULDCKSALJQOJBG-SFHVURJKSA-N	321.424	3.028	10	20	DGCD	
C[C@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Cl)c2O)C1	817412542	MJWQCBXQVVECKO-VHSXEESVSA-N	304.217	3.149	10	20	DGCD	
CC(F)(F)c1ccc(CNC(=O)c2cccc(O)c2O)cc1	817462375	KMNREBHYRVQEHA-UHFFFAOYSA-N	307.296	3.140	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCN1	817897837	CCMLFNBVIGKVIZ-XUVXKRRUSA-N	313.489	3.297	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC1CCC(CN)CC1	817934492	JSTUAIWNZBXGSH-HJOIGYKYSA-N	303.494	3.099	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1c[nH]c2nccc-2c1	824982266	DHXPGXAGFBKZHZ-UHFFFAOYSA-N	320.396	3.045	10	20	DGCD	
CC[C@H](N[C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccccc1O	825328135	YMYXRSXRPADSSO-UKPHBRMFSA-N	315.417	3.087	10	20	DGCD	
C[C@H](CCCC(F)(F)F)NC(=O)c1c(F)ccc(O)c1O	830418654	JLMONFQWTJSABE-SSDOTTSWSA-N	309.259	3.088	10	20	DGCD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCc2ccc(N)cc2)o1	832653131	QBPSPYBBPISCGM-GUYCJALGSA-N	312.413	3.277	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(C(=O)O)c(F)c2)c1	833733993	YGWHOACSIKRCSY-JTQLQIEISA-N	319.332	3.089	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCCCO2)cc1F	837405226	PBPYPSJNAVNZNC-SFHVURJKSA-N	322.424	3.247	10	20	DGCD	
CSC[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839917870	IMBWZRXRRAPOPN-UONOGXRCSA-N	308.491	3.107	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ccncc1F	840975752	LNKHNXBAQMQDAD-AWEZNQCLSA-N	301.409	3.316	10	20	DGCD	
CCCc1nc(C)c(NC(=O)NCCc2ccc(N)cc2)s1	841197249	CTDNCYZUJBRTPL-UHFFFAOYSA-N	318.446	3.350	10	20	DGCD	
CC[C@@H](CNC(=O)NCCc1ccc(N)cc1)c1ccccc1	841645644	DYHXYCHQFBCRIW-INIZCTEOSA-N	311.429	3.304	10	20	DGCD	
COc1cccc([C@@H](C)NCCCN2CCC(C)CC2)c1O	846136297	IEOVVQZSPXUKFQ-OAHLLOKOSA-N	306.450	3.173	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H](OC3CCC3)C2)c1	848925622	ZGYMMSZUCKPCCA-QGZVFWFLSA-N	305.418	3.324	10	20	DGCD	
COc1cc(CNC[C@H](C)N(C)C2CC2)c(O)c(C(C)(C)C)c1	850121183	OBJFJBLHGONBAY-ZDUSSCGKSA-N	320.477	3.271	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccsn1	857508792	YFWFSKYPMFBOTF-UHFFFAOYSA-N	303.170	3.086	10	20	DGCD	
Cc1cc(C(=O)NCc2cc(Cl)ccc2O)c2n[nH]cc2c1	857547465	FSRTXGPHYOCAHE-UHFFFAOYSA-N	315.760	3.160	10	20	DGCD	
CC[C@@H](C)C[C@@H](CO)NCc1c(O)cccc1Br	858182573	ZCQLCTUCPLVORS-MNOVXSKESA-N	316.239	3.041	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC[C@@H](CC(C)C)OC)C2)cc1	877598005	FZRBJYIDEDKQPC-QFBILLFUSA-N	320.477	3.172	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccnn1C(C)(C)C)c1ccccc1O	879275146	GXKGCIQCGZQFGE-LLVKDONJSA-N	302.378	3.226	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)ccc1CNCc1ccc2c(c1)CCO2	892794341	RWZVMTIEILYNEG-UHFFFAOYSA-N	318.760	3.473	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1O	894337422	SGHYEEMSEXVIAL-LMMKCTJWSA-N	309.409	3.385	10	20	DGCD	
COc1cc(C)cc(CN(CCO)Cc2ccc(C)cc2)c1O	894441047	DVJOYOKRENTPED-UHFFFAOYSA-N	315.413	3.012	10	20	DGCD	
CN(Cc1ccc(N)cc1)C1CCN(C(=O)c2ccccc2)CC1	1120262784	DAQZSUORJCSQQU-UHFFFAOYSA-N	323.440	3.005	10	20	DGCD	
COc1ccc2[nH]c(C)c(C(=O)NCc3ccccc3O)c2c1	1253393372	NZRMEEKTJXEUOW-UHFFFAOYSA-N	310.353	3.121	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCNc2ccccc2)c1	1319674480	BKMDPNMKUCZEER-CYBMUJFWSA-N	314.385	3.080	10	20	DGCD	
CCn1cccc(CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)c1=O	1326722212	WMIOJSBRFGEBGV-UKRRQHHQSA-N	312.413	3.220	10	20	DGCD	
CCS[C@H]1CCCCN(C(=O)NCc2ccc(N)cc2)C1	1346739215	OOVITTSEEPCCJY-HNNXBMFYSA-N	307.463	3.086	10	20	DGCD	
O=C(O)c1cnc(N2Cc3cccc(O)c3C2)cc1C(F)(F)F	1602527953	FLMWDRAOMBLDML-UHFFFAOYSA-N	324.258	3.024	10	20	DGCD	
CN(Cc1cccc2cccnc12)c1ccc(OCC(=O)O)cc1	1610125835	XYJAAFNMOQCVNP-UHFFFAOYSA-N	322.364	3.335	10	20	DGCD	
CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nccs2)cc1	48874179	VWWREXQEIKHOGY-SNVBAGLBSA-N	306.412	3.465	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)c3ccc(C)cc3)CC2)cc1	55877539	OZIJOCLLRMTIMI-UHFFFAOYSA-N	324.424	3.356	10	20	DGCD	
COc1ccc(N(C)Cc2cccc([N+](=O)[O-])c2)cc1OC	63616863	WUITUKPLYWQPKE-UHFFFAOYSA-N	302.330	3.248	10	20	DGCD	
CC(C)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)on1	71109134	WDWKCCBHSLPPBM-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
Cc1ncsc1CNCc1cc(Br)ccc1O	105494228	RJEYJUFAXQBADC-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(F)cc2F)c1	131350214	PJZMOFOFXDMVMU-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
Oc1c(Br)cccc1CNCC1CCSCC1	134608170	DPAMQSUVNBPXNR-UHFFFAOYSA-N	316.264	3.388	10	20	DGCD	
CCCC[C@@H](COC)NC1CCN(c2ccc(OC)cc2)CC1	157415583	YTUQKVUYYQLPBC-KRWDZBQOSA-N	320.477	3.459	10	20	DGCD	
CCS[C@@H]1CC[C@@H](N(C)Cc2cc3c(cc2O)OCO3)C1	173484323	WTDHKUBPKPHWRN-CHWSQXEVSA-N	309.431	3.227	10	20	DGCD	
COCC[C@](C)(O)CN[C@@H](C)c1ccc(N2CCCCC2)cc1	178365493	NKLWCKWTZOVSKP-LPHOPBHVSA-N	320.477	3.115	10	20	DGCD	
C[C@H](N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O	183515691	CAGKSOVQFGEVSO-ZFWWWQNUSA-N	310.397	3.128	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(N(C)C)c(F)c2)c1	185232425	LNZLHXPXCQCHIB-LBPRGKRZSA-N	318.392	3.457	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)C(=O)N(C)C	189000274	BDENFTURTNEEPZ-HOTGVXAUSA-N	317.477	3.194	10	20	DGCD	
COCCOc1ccc(Sc2ncc([N+](=O)[O-])s2)cc1	192534657	RYDARWWEABNWLW-UHFFFAOYSA-N	312.372	3.228	10	20	DGCD	
O=c1[nH]c(NCc2ccc(N3CCCC3)cc2)nc2ccccc12	195519517	KWSHJLLZNBYUNT-UHFFFAOYSA-N	320.396	3.135	10	20	DGCD	
NC(=O)C1(CNCc2cc(-c3ccccc3)ccc2O)CCCC1	265448524	BZCJVIPLMAPNJL-UHFFFAOYSA-N	324.424	3.195	10	20	DGCD	
Cc1ccc([C@@H](O)CNCc2ccc(N3CCCCC3)cc2)o1	266000440	OWUIOSKROXARIJ-SFHVURJKSA-N	314.429	3.402	10	20	DGCD	
C[C@H](NCc1cccc(Cl)c1O)[C@@H](O)c1cccc(F)c1	271858917	VLGQGKGTAPWURF-ZUZCIYMTSA-N	309.768	3.396	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc(Br)cc1O)c1cnn(C)c1	273563779	IUCJTWOJHGFIKU-UWVGGRQHSA-N	324.222	3.300	10	20	DGCD	
CC[C@@H](NC[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O	286036784	KKGMESWMYUJTTE-SJLPKXTDSA-N	303.377	3.480	10	20	DGCD	
CC[C@H](CN[C@@H](C)c1ccc(Br)cc1O)OC	290017141	CCRAPAZEHWEPKU-GXSJLCMTSA-N	302.212	3.230	10	20	DGCD	
C[C@H](NC[C@H]1COc2ccccc21)c1ccc(F)c(F)c1O	290165763	DMYMPRKNLQDJCW-QWRGUYRKSA-N	305.324	3.497	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN[C@H]1CC12CCCCC2	395689963	ZQFQVJBPFQPGFL-SFHVURJKSA-N	300.446	3.336	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc(Br)cc1	398491905	YPBWZHYTZPMSTC-UHFFFAOYSA-N	321.174	3.476	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2C[C@H]2c2ccco2)n(C)c2ccccc12	413514874	ZLEQTQBEZAWDIP-HUUCEWRRSA-N	323.396	3.435	10	20	DGCD	
Cc1ccccc1C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	588405931	HIGRXCFKUSIQEN-GDAGCXPBSA-N	311.381	3.167	10	20	DGCD	
CN(C)c1cccc([C@H]2CCCN2C(=O)c2cc(O)cs2)c1	735522777	YKWGWMVYYNKZRQ-OAHLLOKOSA-N	316.426	3.497	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1cc(C(=O)O)oc1C	737020912	NRQQQHMECUJKFA-UHFFFAOYSA-N	303.358	3.404	10	20	DGCD	
CCOc1ccc(NC(=S)NCc2ccccc2O)cc1	748157574	MFPXPLGUKKHCSB-UHFFFAOYSA-N	302.399	3.278	10	20	DGCD	
CS[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C	752879345	XRJNPDHHMUWICK-IQCBXXCUSA-N	309.431	3.005	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCOC(C)C)cc1	754301049	GOFSRHHMEMLDDV-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
C[C@H](NC1CCN(CC(F)F)CC1)c1cc(F)cc(F)c1O	756503154	LFZXZRNHJMYVJK-VIFPVBQESA-N	320.330	3.051	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)c1cc(F)cc(F)c1O	756586438	RRWDAFSPYDYNGS-VFZGTOFNSA-N	319.355	3.497	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)Oc1ccccc1	756707392	YLIDUOAFQFJXCD-QWHCGFSZSA-N	316.357	3.419	10	20	DGCD	
COc1ccc(N(C)CCOc2cccc([N+](=O)[O-])c2)cc1F	757851445	JNYGTKHQIQXQAW-UHFFFAOYSA-N	320.320	3.258	10	20	DGCD	
COCCCN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	769139615	MBFBSCWAVGNAAK-UHFFFAOYSA-N	321.421	3.053	10	20	DGCD	
CCN1C[C@@H](C)N(Cc2cc(Cl)cc(F)c2O)C[C@@H]1C	775711989	LQQBZMCJWZGNBZ-WDEREUQCSA-N	300.805	3.099	10	20	DGCD	
Cc1ccc(-c2cc(NC(=O)c3cccc(O)c3O)n[nH]2)s1	776343626	SDOAVDMWNOIVCR-UHFFFAOYSA-N	315.354	3.110	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C(C)(C)C(C)C)CC2)cc1	784090757	PUQJBMJDXJXPDW-UHFFFAOYSA-N	318.461	3.462	10	20	DGCD	
CN(CCCCC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2	784203787	FBWVAGJULLLXKT-UHFFFAOYSA-N	307.390	3.364	10	20	DGCD	
C[C@H](N[C@H](C)[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O	788816550	SNTMPQGMKYFDFN-VWYCJHECSA-N	303.324	3.487	10	20	DGCD	
CSC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1	789748608	QVSDZSICYOCKAH-UHFFFAOYSA-N	304.459	3.189	10	20	DGCD	
O=C(Nc1n[nH]c2c(Cl)cccc12)c1c(F)ccc(O)c1O	789994528	QEPRCIQHAOWIKQ-UHFFFAOYSA-N	321.695	3.019	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)c2ccsc2)c1O	802394833	QKIVDAQYHPJJDX-JTQLQIEISA-N	306.387	3.023	10	20	DGCD	
C[C@H]1C[C@H](CCNC(=O)N(C)Cc2ccccc2O)C[C@@H](C)O1	802508859	LPRHBXPIRVAIFR-QDMKHBRRSA-N	320.433	3.127	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H](C)COC	812563468	ALUYVGMRTISLBO-LSDHHAIUSA-N	307.434	3.440	10	20	DGCD	
CCN1CCC[C@@H](CNCc2cc(Cl)c(F)cc2O)C1	816543520	DMYALFKQYSXFOH-NSHDSACASA-N	300.805	3.006	10	20	DGCD	
C[C@]1(CNCc2cc(Cl)c(F)cc2O)CCO[C@H]1C1CC1	816570775	HDYWWVKFYIQLJU-JKSUJKDBSA-N	313.800	3.480	10	20	DGCD	
C[C@H](NC[C@H](N)C1CC1)c1ccc(N2CCCCCC2)cc1	817965479	RKRBWKBORRVFBD-KXBFYZLASA-N	301.478	3.455	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC12CCSCC2	822265395	PJQDTRZTGHEGTR-INIZCTEOSA-N	318.486	3.244	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[C@H]2C2CCC2)c1	823769946	KJCRWKNKLJATFG-RBOXIYTFSA-N	318.417	3.197	10	20	DGCD	
COc1cc(O)c(CNC[C@@H]2CCCCC2(F)F)cc1OC	824543574	LLVPGNMAJCYFMQ-LBPRGKRZSA-N	315.360	3.325	10	20	DGCD	
C[C@H](NC[C@]1(C)CCC(=O)N1)c1cc(Cl)c(Cl)cc1O	834908565	KLBNURUBPAKJNN-RTHLEPHNSA-N	317.216	3.018	10	20	DGCD	
Cc1ccc(C(=O)NCC[C@]2(C)CC2(Cl)Cl)c(O)c1O	836910448	YXWSMAZYDJWTSV-CYBMUJFWSA-N	318.200	3.110	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c1O	838729714	ISSFOMMQBVQYPO-IHRRRGAJSA-N	320.433	3.415	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1	839192792	PLWVBIAYOWRBHJ-DOTOQJQBSA-N	309.837	3.419	10	20	DGCD	
C[C@H](NC[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	840878956	AHRPAUOPAYETQO-WCQYABFASA-N	307.340	3.097	10	20	DGCD	
COc1nc(C)cc(C)c1CNCc1ccc(N(C)C)cc1C	840932907	VVRRQMLDGBZRII-UHFFFAOYSA-N	313.445	3.371	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](CO)[C@@H](C)c1ccccc1	840934002	LTXDJMJKWIKGSL-OXJNMPFZSA-N	312.457	3.315	10	20	DGCD	
CO[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC(C)C	841584001	WTZJLOYXDMMTOS-YOEHRIQHSA-N	321.465	3.174	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](C)CN	843487345	DLUZQVODOMNEBJ-CABCVRRESA-N	312.413	3.077	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)COc2ccccc2Cl)cc1	844353041	DPLVLDDSVHEIRB-CQSZACIVSA-N	321.804	3.225	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cnc(C(C)(C)C)nc2)c1	845970845	DCYMMKLWSBLPJO-LBPRGKRZSA-N	315.417	3.339	10	20	DGCD	
COc1ccc(F)c(CN[C@H](C)c2cc(OC)ccc2O)c1	845973281	YEYXSJISHZMNAY-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)C[C@@H](O)c2ccco2)c1O	846151404	XTDRSYGKEYJPLL-SGMGOOAPSA-N	305.374	3.157	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1ccoc1C(=O)O	846255278	RRTKDKZNVGDOBE-UHFFFAOYSA-N	301.342	3.329	10	20	DGCD	
CCN(CCCNC(=O)Nc1ccc(N)cc1)C1CCCCC1	846309457	FDSKUGBILKEZAJ-UHFFFAOYSA-N	318.465	3.435	10	20	DGCD	
CCc1cccc(CN2CCc3c(cccc3NC(C)=O)C2)c1O	848882811	BVQZWPJUCUAMBK-UHFFFAOYSA-N	324.424	3.471	10	20	DGCD	
COc1cc(CN[C@H]2CCCOCC2)c(O)c(C(C)(C)C)c1	850238508	HSNKPHYLGSHADA-AWEZNQCLSA-N	307.434	3.357	10	20	DGCD	
CCCCNC(=O)[C@@H](C)N(C)Cc1ccc(N(CC)CC)cc1	857757967	YRBVNLFMPNCOOY-MRXNPFEDSA-N	319.493	3.269	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	858199936	UWVGSGISPNPMIB-XUVXKRRUSA-N	320.436	3.297	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCCc2ccccc2F)c1	858414243	APGAKQKXBFYXTH-UHFFFAOYSA-N	316.376	3.272	10	20	DGCD	
C[C@@H](NC(=O)c1cccc2ncn(C)c12)c1ccc(N(C)C)cc1	863905595	IVPFFDWAIHNLFQ-CYBMUJFWSA-N	322.412	3.130	10	20	DGCD	
Oc1nnc(Cl)cc1NCc1ccc(N2CCCCC2)cc1	872428590	HXTSIFKWICPZIP-UHFFFAOYSA-N	318.808	3.438	10	20	DGCD	
CC[C@@H](CNCc1c(C)cccc1O)NC(=O)OC(C)(C)C	877561892	MTZFRJHDPZVXSL-ZDUSSCGKSA-N	308.422	3.094	10	20	DGCD	
CCN(C)c1ccc(Cn2cc(-c3c(C)noc3C)nn2)cc1	881314736	CMPNQPOYXSRJBB-UHFFFAOYSA-N	311.389	3.054	10	20	DGCD	
COc1ccc(CN2CCC[C@@H]2c2cc(C)no2)c(O)c1OC	891717352	DWDALBNVGNSIPQ-CYBMUJFWSA-N	318.373	3.043	10	20	DGCD	
COc1cc2c(cc1O)CCN(Cc1cccc(Cl)c1O)C2	895888045	GBLLBWADRKTHBY-UHFFFAOYSA-N	319.788	3.318	10	20	DGCD	
C[C@H](Cc1cccnc1)NCc1c(O)cccc1Br	897966780	GTFAKADHFOVGRW-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
Cc1ncccc1CCNCc1c(O)cccc1Br	898252099	XZRWPAQPRNZQMN-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
CCOc1cccc(CN[C@@H](c2cnn(C)c2)C(C)C)c1O	922895048	NLMVARZUWLHWKU-MRXNPFEDSA-N	303.406	3.011	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3oc(C)nc3C)CC2)cc1	1236593386	BEWGTYWRPOPTAD-UHFFFAOYSA-N	315.417	3.012	10	20	DGCD	
COc1cccc(O)c1CNCc1cccc(C(F)(F)F)n1	1330533008	JQSPSUPGBCYHLZ-UHFFFAOYSA-N	312.291	3.104	10	20	DGCD	
CS[C@@H]1CCC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1	1330699272	SWPOFTZTMLVVLA-ZIAGYGMSSA-N	308.447	3.174	10	20	DGCD	
COc1ccc(CNC2CCC(F)(F)CC2)c(O)c1OC	1343018702	CABVCFNTVUCABW-UHFFFAOYSA-N	301.333	3.077	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C[C@@H]1CCNc2ccccc21	1343165175	WNCUHXNBRULLLP-AWEZNQCLSA-N	310.397	3.340	10	20	DGCD	
O[C@H](CCNCc1ccc(N2CCCC2)cc1)C1CCCC1	1351784473	XAKFRKZVNXKBBW-LJQANCHMSA-N	302.462	3.318	10	20	DGCD	
COc1cc(N[C@@H](C)c2cc(C(=O)O)ccc2O)cc(OC)c1	1599442473	COGUWIQRMZHRPY-JTQLQIEISA-N	317.341	3.281	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(SC)c(C(=O)O)c2)c1	1607277834	XKJUTNYPKKEBJZ-UHFFFAOYSA-N	319.382	3.433	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CC[C@@H](C)C2)cc1	1776861177	KXWCDAOMXBBKGU-RDTXWAMCSA-N	304.434	3.266	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCCCSC)cc1	77667806	DEOGTYKCHUVRLV-UHFFFAOYSA-N	309.479	3.085	10	20	DGCD	
O=C(O)C1CCC(NCc2cc(Cl)cc(Cl)c2O)CC1	86735623	KFAXBHGLTRGYJP-UHFFFAOYSA-N	318.200	3.432	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	121850631	FTVFRFCLOCEVOY-KURKYZTESA-N	300.446	3.108	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N(C)Cc2ccccc2)cc1	150734156	YQRGSMNTVRAXIA-UHFFFAOYSA-N	312.413	3.180	10	20	DGCD	
Cc1cnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1	180582329	WTJONCBINIDCOV-OAHLLOKOSA-N	318.442	3.338	10	20	DGCD	
COc1ccc(O)c(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c1	184063933	SLZNDDMATAWCOZ-UHFFFAOYSA-N	316.357	3.334	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@@H](C)c2ccc(C)cc2O)cc1	185027685	SUEFNXOXTCAFHQ-AWEZNQCLSA-N	312.413	3.301	10	20	DGCD	
CC(C)NC(=O)CN(C)c1ccc(OCc2ccccc2)cc1	189645109	AIRICPDYGMZFFW-UHFFFAOYSA-N	312.413	3.226	10	20	DGCD	
Oc1cc2c(cc1CNCCc1ccc(Cl)s1)OCO2	227441235	BPTVIOZIELXLJS-UHFFFAOYSA-N	311.790	3.168	10	20	DGCD	
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1	236712330	IRQFQKBZPBYHPG-GOSISDBHSA-N	314.404	3.334	10	20	DGCD	
CSC[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	266746323	DUFPDCNXRDWSEA-CQSZACIVSA-N	323.506	3.424	10	20	DGCD	
CCCn1c(C)nnc1CN(CC)c1ccc(OC)c(OC)c1	270808046	NNIWEMMKDDXOEO-UHFFFAOYSA-N	318.421	3.040	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)CC(C)(C)OC)c1	273465334	DQNJCAONSXECKN-VXGBXAGGSA-N	309.406	3.033	10	20	DGCD	
Cc1noc(C)c1[C@H](C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273496178	PEJVTMLHTUZNDV-NXEZZACHSA-N	319.361	3.360	10	20	DGCD	
CC[C@H](NCc1nnc2n1CCCC2)c1cccc(Cl)c1O	287599353	INJZDIOLWBNJPK-ZDUSSCGKSA-N	320.824	3.214	10	20	DGCD	
Nc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1	309942389	XTVAXSAFSBCBLN-GOSISDBHSA-N	324.428	3.055	10	20	DGCD	
CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc2ccccc2c1O	317323523	FRZMNKYJLYSNNY-OLZOCXBDSA-N	300.402	3.109	10	20	DGCD	
Cc1c(CNCc2cnc(N(C)C)s2)n(C)c2ccccc12	355129884	XJVXFBHTHAIGHS-UHFFFAOYSA-N	314.458	3.299	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2c[nH]nc2C1)c1ccc2ccccc2c1O	370399705	VMOXWRMDJRQKEL-IUODEOHRSA-N	307.397	3.477	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3[C@H]4C=CC[C@H]3CC4)ccc21	372244536	WESQNLMQAFNMRI-IRXDYDNUSA-N	311.429	3.072	10	20	DGCD	
C[C@H](Cc1ccccn1)NCc1c(O)cccc1Br	706835326	SYNGPCWQVJFKTO-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
CCN(Cc1c(O)cccc1Br)C[C@@H](C)OC	707171885	NTKNNTAVLOVIKI-SNVBAGLBSA-N	302.212	3.012	10	20	DGCD	
CC[C@H](C)N(C)CCNCc1ccc(N(CC)CC)c(F)c1	740004893	YNVUPHSDHUINFS-HNNXBMFYSA-N	309.473	3.492	10	20	DGCD	
C[C@H](NC(=O)NCc1ccccc1O)c1ccc(F)cc1F	748463366	OWYJVDUHQCXOJF-JTQLQIEISA-N	306.312	3.231	10	20	DGCD	
CC(C)Oc1ccccc1COC(=O)c1cccc(O)c1O	758545783	COQJNVDLAGTLGT-UHFFFAOYSA-N	302.326	3.242	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C=C(C2CC2)C2CC2)c1	762804820	JVVJMTBACWQSRX-NSHDSACASA-N	301.386	3.324	10	20	DGCD	
COc1cc(CN2CC[C@@H](CN3CCCCC3)C2)c(O)cc1C	768466154	NAQZUZJQSIYFNX-INIZCTEOSA-N	318.461	3.017	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2cncnc2)c1C	768626407	YYANOKSGQKEPGL-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
C[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1ccc(N(C)C)cc1	773017644	HYNBYIFNPYZVEU-LIRRHRJNSA-N	324.424	3.244	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@H](N2CCCC2)C1	775657889	BLYNVAHANFASGV-AWEZNQCLSA-N	312.816	3.245	10	20	DGCD	
Cc1ccccc1NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775829935	BATQXJIUBQCUJO-OAHLLOKOSA-N	311.429	3.350	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CNC2(CO)CCCCC2)c1O	776591716	UVYSFYTYGDCMGH-UHFFFAOYSA-N	311.809	3.033	10	20	DGCD	
C[C@@H]1CCC[C@@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1	783339254	BRZYAVAQGNGZHU-VXGBXAGGSA-N	306.358	3.040	10	20	DGCD	
Cc1cc([C@H](NC(=O)c2cccc(O)c2O)C2CC2)ccc1F	790906366	YVZFKJMFYVWTMG-MRXNPFEDSA-N	315.344	3.426	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(CC2CC2)C2CCC2)cc1	792793776	VAYZQYJJASVYAY-UHFFFAOYSA-N	301.434	3.227	10	20	DGCD	
CC(C)CC1(C)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	808231929	ROWQWARTEILUCS-KRWDZBQOSA-N	319.445	3.466	10	20	DGCD	
COc1cccc(CN2C[C@@H](C)CN(C)c3ccccc32)c1O	809665507	VECOVSZUNWVASQ-AWEZNQCLSA-N	312.413	3.493	10	20	DGCD	
Cc1ccc2c(c1)/C(=C\c1cn3cc(C)ccc3n1)C(=O)N2C	811700208	IKQQXAJMQFQSNG-CXUHLZMHSA-N	303.365	3.468	10	20	DGCD	
CC[C@H](NCc1cc2ccccc2n(C)c1=O)c1ccccc1O	813881032	KSQLMBURHLVHIG-KRWDZBQOSA-N	322.408	3.485	10	20	DGCD	
OC[C@@H](CNCc1ccc2ccccc2c1O)Cc1ccccc1	816538029	BQEINPVDGGELBR-QGZVFWFLSA-N	321.420	3.486	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]1(C)CC1(F)F	817458238	WKFSYWFGZNUQBP-BLLLJJGKSA-N	310.388	3.154	10	20	DGCD	
CCC[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccccn1	817944095	XHEUYSWYRCETRA-MSOLQXFVSA-N	312.461	3.278	10	20	DGCD	
CCCC[C@H](CC)CN1C(=O)CN(Cc2ccccc2O)C1=O	819166515	WRUYFGAFLUAMKZ-AWEZNQCLSA-N	318.417	3.373	10	20	DGCD	
CC1(C)CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	823671334	LYPKFUZZYFEOLF-HNNXBMFYSA-N	306.425	3.331	10	20	DGCD	
Cc1cc(O)c(CN[C@H](CO)c2ccc(F)cc2)cc1Cl	825283367	KNGSBFFVHJDAKC-OAHLLOKOSA-N	309.768	3.316	10	20	DGCD	
CCCOc1ccc(CNC(=O)Cc2ccc(N)cc2)c(C)c1	832136009	VHDYTKQCMKKXBS-UHFFFAOYSA-N	312.413	3.225	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C(=O)O)c2ccc(F)cc2)c1	833733369	FQISFHJADXDBRT-HWPZZCPQSA-N	319.332	3.016	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)CCOC)cc1	840263751	WJEPHNXHGRQUFR-HNNXBMFYSA-N	321.465	3.005	10	20	DGCD	
O=[N+]([O-])c1cnc(NCc2c(O)ccc3c2CCCC3)c(F)c1	840268676	MVLRYOYGPQNKJE-UHFFFAOYSA-N	317.320	3.325	10	20	DGCD	
COCC1CCC(NCc2cc(Cl)cc(OC)c2O)CC1	840964055	WMXAEUBIPGUMET-UHFFFAOYSA-N	313.825	3.349	10	20	DGCD	
CC(C)c1ccc([C@H](N)CNCc2cc(F)ccc2O)cc1	841034937	FJJIGRHHHMEQMQ-QGZVFWFLSA-N	302.393	3.444	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ccncc2Cl)cc1	844400694	GPMCPGIWPWPDCO-UHFFFAOYSA-N	319.836	3.312	10	20	DGCD	
C[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)[C@@H]1CCN	844900687	CQEYFWAGPMEDNQ-ZWNOBZJWSA-N	300.805	3.134	10	20	DGCD	
COc1cccc([C@H](C)NCCOc2ccc(F)c(F)c2)c1O	846148682	AEYXBONDQMLMFY-NSHDSACASA-N	323.339	3.409	10	20	DGCD	
COCC[C@@H](N[C@@H](C)c1cccc(OC)c1O)c1ccco1	846166493	XWJFIUSIAHFIQQ-GXTWGEPZSA-N	305.374	3.422	10	20	DGCD	
CC(C)(C)c1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1	847589698	MRTMHHDHGQORDJ-UHFFFAOYSA-N	313.397	3.368	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1O	848558119	JUODOSFDTFWGBD-BDJLRTHQSA-N	314.360	3.135	10	20	DGCD	
CCc1cccc(CNCCc2ccc([N+](=O)[O-])cc2)c1O	848895560	NITPHSSVAJAKIN-UHFFFAOYSA-N	300.358	3.195	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCC2CCN(CC3CC3)CC2)c1	850581158	DJSNWTHJYHUUCH-HNNXBMFYSA-N	302.462	3.473	10	20	DGCD	
C[C@@H](NCC1(N)CCCC1)c1cc(Br)ccc1O	854222820	LDWMXQFOWQYPRC-SNVBAGLBSA-N	313.239	3.077	10	20	DGCD	
COC1CC(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1	858202100	LIHRYUIOFBLCBG-UHFFFAOYSA-N	316.445	3.060	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1O	858479076	IFBSTKXROTUVLQ-MWLCHTKSSA-N	320.330	3.051	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2C2CCOCC2)cc1F	862293039	MTEWDDJPCBKQDD-QGZVFWFLSA-N	324.415	3.422	10	20	DGCD	
COc1ccc(CNc2ccc(Cl)nc2C)c(O)c1OC	894119724	YIGPSSLCTKSCES-UHFFFAOYSA-N	308.765	3.378	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN1CC(F)(F)F)c1cc(F)ccc1O	926919821	GCACKIPEOJFHFH-PWSUYJOCSA-N	320.330	3.209	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NC[C@@H]1C[C@@H]2CC[C@H](C1)N2	1119032633	YNSBEFSADJTBIL-ARKGTOAJSA-N	300.446	3.369	10	20	DGCD	
CC[C@@H]1CN(c2nnc(-c3sccc3O)n2CC)CCS1	1121763855	MQQPZIFFBPGCMC-SNVBAGLBSA-N	324.475	3.064	10	20	DGCD	
CCC(C)(C)CNCc1ccc(N2CCN(C)CC2)c(F)c1	1321104572	GXWLUFIJYXNZLU-UHFFFAOYSA-N	307.457	3.103	10	20	DGCD	
O=C(NCCc1coc(-c2ccccc2)n1)c1cc(O)cs1	1327787066	GUKHZRQPQWUXPW-UHFFFAOYSA-N	314.366	3.081	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCC(C)(F)CC1	1342568177	HHMMEAIBENYTHX-UHFFFAOYSA-N	310.398	3.061	10	20	DGCD	
C[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1(F)F	1346873796	JTIYWPCMHGHMIC-DOMZBBRYSA-N	308.372	3.194	10	20	DGCD	
CC[C@H](C)C[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1576972539	VWXBLBPIMJIDKM-KSSFIOAISA-N	317.477	3.007	10	20	DGCD	
C[C@H](C(=O)O)N(C/C=C/c1ccc(N(C)C)cc1)C1CCC1	1589485673	BJZDHHDQLDTBPS-VBROQKIQSA-N	302.418	3.093	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](C(=O)O)c3cccs3)ccc21	1776884742	OEGWSOZGJUOAGY-MRXNPFEDSA-N	316.426	3.046	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cc(F)ccc2C)c1O	104974277	OFXAUIBGXZSWBH-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1ccc2c(c1)OCCCO2	113334626	IWKUFUCRFCFXHO-UHFFFAOYSA-N	319.788	3.497	10	20	DGCD	
Cc1ccc(C(=O)NCc2nc(C(C)(C)C)cs2)c(O)c1O	177682403	CWPSPCCNSBKJOU-UHFFFAOYSA-N	320.414	3.090	10	20	DGCD	
CC[C@@H](CCO)N[C@H](CC)c1cc(Br)ccc1O	119237526	XFEPTYVROVVSCI-WCQYABFASA-N	316.239	3.356	10	20	DGCD	
Cc1cc(C)c(C(=O)N(C)Cc2ccccc2O)c(Cl)n1	182157630	RRDGPKANLZJUDR-UHFFFAOYSA-N	304.777	3.330	10	20	DGCD	
Cc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1	181219829	CDWLNAORWHKHJJ-UHFFFAOYSA-N	311.385	3.492	10	20	DGCD	
Cc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1O	186102421	IQWXSKKNWFWYSZ-UHFFFAOYSA-N	321.380	3.159	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cccc(NC(C)=O)c2)c1	182447842	HFHHKMUXKCTFLM-LBPRGKRZSA-N	314.385	3.210	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc(F)cc1[N+](=O)[O-]	183599311	FBWABWFXQYTPHX-VIFPVBQESA-N	306.293	3.188	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc(F)c2Cl)cc1	79333436	AOSSNNWEXBGPLW-UHFFFAOYSA-N	306.768	3.475	10	20	DGCD	
CC[C@@H](O)CCN[C@@H](C)c1cc(Br)cc(C)c1O	187308722	PKLIZWJANLRICO-CMPLNLGQSA-N	316.239	3.275	10	20	DGCD	
OCc1cccc(NCc2cccc(Br)c2O)c1	42412011	GURWBVKYOWWNGZ-UHFFFAOYSA-N	308.175	3.259	10	20	DGCD	
C[C@@H](O)[C@@](C)(CNCc1cc(F)ccc1O)Cc1ccccc1	191779960	LODLQQOSYBKLOF-AUUYWEPGSA-N	317.404	3.251	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](C)Cc2ccccc2C)c(O)c1	529231299	ZTONQNGGWFQWJB-AWEZNQCLSA-N	313.397	3.204	10	20	DGCD	
CC[C@@H]1CC[C@@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)O1	268233842	YQPRLTSTIUNAPQ-SJORKVTESA-N	304.434	3.059	10	20	DGCD	
COc1ccc(N2CCCN(Cc3cnc(C)s3)CC2)cc1	363373456	QGLOALATPVSBSU-UHFFFAOYSA-N	317.458	3.172	10	20	DGCD	
CC[C@@H](C)c1nc([C@H](C)NCc2ccc3c(c2)CCO3)n[nH]1	277457102	QBZNKBCFLKRHBP-NEPJUHHUSA-N	300.406	3.104	10	20	DGCD	
CCC(=O)CCCN(Cc1ccccc1O)C[C@@H]1CCCO1	289244852	AXSVJKSTERDWSP-KRWDZBQOSA-N	305.418	3.133	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1	283912857	DIWFTEUMVLCJOD-LBPRGKRZSA-N	314.389	3.094	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc2nc[nH]c2n1	282526173	QAZLHTKXDFQOAO-UHFFFAOYSA-N	324.384	3.106	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCC[C@H](O)c1ccccc1	809747075	IDFVDHKZXFFUFM-HNNXBMFYSA-N	309.768	3.398	10	20	DGCD	
COc1ncc(/C=C/C(=O)N2CCC(C)(C)c3ccccc32)cn1	809359530	UXMJYNYRUHDUGB-CMDGGOBGSA-N	323.396	3.213	10	20	DGCD	
Cc1c(CNC(=O)CCc2ccccc2O)n(C)c2ccccc12	471224392	OINWSERLETUKHB-UHFFFAOYSA-N	322.408	3.441	10	20	DGCD	
CC(C)[C@@H]1N(C(=O)NCc2ccc(N(C)C)cc2)CC1(C)C	814309146	YPTBPHUSRCGDSJ-INIZCTEOSA-N	303.450	3.329	10	20	DGCD	
CCc1cccnc1[C@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817942460	OYBROFNUUJBTON-KSSFIOAISA-N	312.461	3.061	10	20	DGCD	
CC[C@@H](NC[C@@H](N)C(C)C)c1ccc(C(F)(F)F)cc1O	817957525	CNMDXVMRPLRFFN-CHWSQXEVSA-N	304.356	3.435	10	20	DGCD	
CCC(CC)(CNCc1cc(Cl)cc([N+](=O)[O-])c1O)OC	813792930	DPGRMDGHFWJKER-UHFFFAOYSA-N	316.785	3.249	10	20	DGCD	
Cc1cccc2c1CC[C@@H]2NC[C@@H](N)c1ccc(N(C)C)cc1	817938382	JQZDRKURRBBHRH-UXHICEINSA-N	309.457	3.338	10	20	DGCD	
CC1(C)C[C@@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1	817941168	MXDCTECDNSVXRS-GFCCVEGCSA-N	315.442	3.092	10	20	DGCD	
Cc1cc(O)c(CNCc2cnc3n2CCCC3)cc1Cl	825843104	MIKFGQCYYZJXQG-UHFFFAOYSA-N	305.809	3.177	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C)[C@](C)(CO)C2)cc1F	827698652	AEJABOGYEVTOMX-KDOFPFPSSA-N	308.441	3.122	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)CCC3)c1	728983720	CXTJQQUDSPSKPR-GFCCVEGCSA-N	311.381	3.381	10	20	DGCD	
Cc1ccc(F)c(NC(=S)NCc2cc(N(C)C)ccn2)c1	905619536	XDFARLXIQQWJEY-UHFFFAOYSA-N	318.421	3.082	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]1C1CC1	734687392	YFOFWTKAYLSTGH-KRWDZBQOSA-N	301.434	3.145	10	20	DGCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)N1CCCCC1	731847136	DMIFBYNEYNIHIX-UHFFFAOYSA-N	316.445	3.149	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CCCCC1(F)F	837586923	HLLGGHHFQBFQCP-HOSRBBHYSA-N	312.312	3.480	10	20	DGCD	
CC[C@H](Cc1ccccc1C)C(=O)NCc1ccc(O)cc1O	910945387	UONPYDAMOOAOFJ-CQSZACIVSA-N	313.397	3.291	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C2CC2)cc1	831931005	LGYPMXAXODQZFL-LBPRGKRZSA-N	311.381	3.336	10	20	DGCD	
OC[C@@H](CNCc1cc(Cl)ccc1O)c1ccc(F)cc1	840961458	BFRFRBUHNBRJAW-CYBMUJFWSA-N	309.768	3.050	10	20	DGCD	
Cc1nnsc1CN(Cc1ccco1)Cc1ccccc1O	844306264	HRTURGXIAZUMRM-UHFFFAOYSA-N	315.398	3.348	10	20	DGCD	
CC(C)(C)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	840148804	ANTOCHDWFMQVFW-BLLLJJGKSA-N	305.418	3.076	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2nccc(C(F)(F)F)n2)c1	840869741	PSJPJGFJGXNTCL-SNVBAGLBSA-N	311.307	3.360	10	20	DGCD	
Nc1ccc(CCNC(=O)N(C2CCCCC2)C2CC2)cc1	841958664	HFNKKVMWQRVXML-UHFFFAOYSA-N	301.434	3.318	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N[C@H](C)c1cc(OC)ccc1O	756634592	AZUIFRGJPKRFOL-GDBMZVCRSA-N	315.413	3.309	10	20	DGCD	
CCO[C@H](CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(C)C	756631031	XDTPXIJZOBAVJI-BLLLJJGKSA-N	310.394	3.402	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](CO)c2ccc(F)cc2F)cc1C	850410029	DVAULLJQQBZOGC-INIZCTEOSA-N	307.340	3.110	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)C(F)(F)c1ccccc1	857547639	NOMFAIKUXGVRFU-UHFFFAOYSA-N	311.715	3.454	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2ccc(C)c(F)c2)cc1F	757858159	ZCWSGSSFPQBEJM-UHFFFAOYSA-N	320.339	3.357	10	20	DGCD	
Cc1cc(CN2CC3(CCNCC3)C[C@@H]2C)ccc1N(C)C	923382319	BVIWJLIWHFDXHA-INIZCTEOSA-N	301.478	3.025	10	20	DGCD	
CCO[C@@H](C(=O)N(C)Cc1ccc(N(CC)CC)cc1)C1CC1	858201591	QLKSYEUKCPDVCF-GOSISDBHSA-N	318.461	3.306	10	20	DGCD	
CC[C@@]1(C(=O)O)CCCN(Cc2ccc(N(C)C)c(C)c2)C1	923474151	WMFLDBTVXWERCX-GOSISDBHSA-N	304.434	3.138	10	20	DGCD	
C[C@H]1C[C@H](NCC2(C)CCN(C)CC2)c2c(O)ccc(F)c21	757640486	XEZKOFIBLNMOGC-JSGCOSHPSA-N	306.425	3.401	10	20	DGCD	
C[C@@H]1[C@@H](N2CCCC2)CCN1Cc1cc(F)c(N(C)C)cc1F	862366017	AJFUAOWMAAQBQO-DYVFJYSZSA-N	323.431	3.089	10	20	DGCD	
CCOc1ccc(O)c(CN2CCOc3cc(F)ccc3C2)c1	862550282	KVBWNICRBXAMHF-UHFFFAOYSA-N	317.360	3.325	10	20	DGCD	
CCO[C@H](C)c1ncc(C(=O)NCc2cc(C)ccc2O)s1	862759361	CLEIOKMKYHLAGH-LLVKDONJSA-N	320.414	3.185	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N(C)C)cc1	766332370	NJPOYBRVSHLWKG-WMZOPIPTSA-N	318.461	3.354	10	20	DGCD	
C[C@H](CC(N)=O)NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	765791402	QXJDXGPRKSOYFR-GFCCVEGCSA-N	320.477	3.341	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@@]3(CC(=O)c4ccccc4O3)C2)c1	877590481	ZYFFHFQQLLHNKC-HXUWFJFHSA-N	323.392	3.311	10	20	DGCD	
CC(C)COc1ccccc1C(=O)NCc1ccc(O)c(O)c1	778918575	TUBBZPLNNGUUFP-UHFFFAOYSA-N	315.369	3.063	10	20	DGCD	
CC[C@@H](NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccc(N(C)C)cc1	873264787	ROYKYXUMTWFEGF-NOCIGQNYSA-N	301.478	3.324	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc(OC(C)C)c(C(N)=O)c1	877492992	AHTOJOFXUIRURN-UHFFFAOYSA-N	314.385	3.199	10	20	DGCD	
C[C@H](NC[C@]1(O)CCc2ccccc21)c1c(O)cccc1F	886555235	NYEDAIMXKTXIBH-KPZWWZAWSA-N	301.361	3.016	10	20	DGCD	
COc1cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c(O)cc1C	773256544	CIZOXLAGUOJLKO-HOTGVXAUSA-N	319.445	3.348	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@@H]1CCCN1CC(F)(F)F	896841421	YRHYAPABOGDSOK-NSHDSACASA-N	322.758	3.162	10	20	DGCD	
CC(C)[C@H](NCc1cc(Cl)cc(F)c1O)c1cnn(C)c1	897080785	CASYXLQYYKXASX-AWEZNQCLSA-N	311.788	3.405	10	20	DGCD	
COc1cccc(-c2noc(N(C)Cc3ccccc3O)n2)c1	786793037	JHELYVPZDWMRDF-UHFFFAOYSA-N	311.341	3.087	10	20	DGCD	
COc1ccc(CNC(=O)Cc2cccc(C)c2Cl)c(O)c1	794376223	DVWZCJTWIXGHFX-UHFFFAOYSA-N	319.788	3.222	10	20	DGCD	
COc1ccc(CNc2ncnc3sc(C)cc23)c(O)c1	795284090	HWEWTJXLUQCPPH-UHFFFAOYSA-N	301.371	3.326	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](CO)CC2CCCC2)cc1F	798503263	FFLDEAFZFZZZKS-MRXNPFEDSA-N	308.441	3.170	10	20	DGCD	
CC[C@@H](C)C(=O)N1CCC[C@@H](NCc2ccc(OC)c(C)c2)C1	998576525	FXHKJDMDPFYGTL-RHSMWYFYSA-N	318.461	3.130	10	20	DGCD	
C[C@@H]1CC[C@H](CCC(=O)Nc2c(Cl)ccc3nonc23)O1	1327168118	XWBPZWUOKYRDAV-RKDXNWHRSA-N	309.753	3.162	10	20	DGCD	
Cc1ccc(C(=O)C(=O)Nc2c(Cl)ccc3nonc23)cc1	1323419832	RJJAHOYKTPOPSZ-UHFFFAOYSA-N	315.716	3.006	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H]2OCCc3ccccc32)c1O	1338249566	AMJZPKHAEFFMCW-SFHVURJKSA-N	313.397	3.113	10	20	DGCD	
CCc1nc([C@H](C)N[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)n[nH]1	1254728944	AIJDFSPXADFSHV-WOPDTQHZSA-N	300.406	3.280	10	20	DGCD	
CO[C@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)C12CCC2	1261295591	DJAXYTFLLMPUAC-MSOLQXFVSA-N	300.446	3.334	10	20	DGCD	
CN(C(=O)CCc1cc2ccccc2nc1O)c1ccc(N)cc1	1578376792	UAPSOGUTPFVOEQ-UHFFFAOYSA-N	321.380	3.118	10	20	DGCD	
CC(C)c1ccc(O)c(CN2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c1	1591973635	FDZYENLCEZWSMG-MAZHCROVSA-N	303.402	3.201	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1	161256752	MIIVAVRJNRRVQY-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)Cc2cc(OC)c(OC)cc2O)C1(C)C	160284810	MOEJHRSHFUTUID-DLBZAZTESA-N	323.433	3.045	10	20	DGCD	
COc1cccc(CNc2ccnc(Cc3ccccc3)n2)c1O	166335604	WRPOYQZHXKXPMG-UHFFFAOYSA-N	321.380	3.394	10	20	DGCD	
Cc1nc(CC(C)C)c(C(=O)NCCc2ccc(N)cc2)s1	152590972	MNNJHGXSOLKKQA-UHFFFAOYSA-N	317.458	3.205	10	20	DGCD	
COC[C@H](NCc1ccc(N2CCC(C)CC2)cc1)C1CC1	157524486	GXAOYNXQXJPDDM-IBGZPJMESA-N	302.462	3.438	10	20	DGCD	
CC[C@H](NCCn1cc(Br)cn1)c1ccccc1O	311826370	RGAXIKVZWLSYIK-ZDUSSCGKSA-N	324.222	3.092	10	20	DGCD	
Clc1cncc(NCc2ccc(N3CCSCC3)cc2)n1	53573351	WYUBURBHBBZYLH-UHFFFAOYSA-N	320.849	3.295	10	20	DGCD	
CN(CCc1cccs1)C(=O)NCc1ccc(N(C)C)cc1	75537235	JCJMRWLSIWIDCS-UHFFFAOYSA-N	317.458	3.198	10	20	DGCD	
CC[C@H](C)CN(C)C(=O)NCc1ccc2c(c1)CCCN2C	111845466	TUIVXACCGMZCHS-AWEZNQCLSA-N	303.450	3.257	10	20	DGCD	
CC[C@@H](C)[C@](C)(O)CNCc1cc(Br)ccc1O	112380066	CFBOIUJLEWFPPD-QMTHXVAHSA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c(C)c1	121333930	CBGNJXBDZYODCQ-UHFFFAOYSA-N	312.369	3.107	10	20	DGCD	
COc1cc(N(C)CCc2csc(C)n2)cc(OC)c1OC	124382080	OGAHFJJNEGSMFA-UHFFFAOYSA-N	322.430	3.156	10	20	DGCD	
CCOC(=O)c1sc(NCc2ccc(N(C)C)cc2)nc1C	127572584	VFFIDKGCLZTJHF-UHFFFAOYSA-N	319.430	3.306	10	20	DGCD	
COc1cc(CN2CCC(OC(C)(C)C)CC2)c(O)cc1C	160403130	LLSDLVSZELYZOE-UHFFFAOYSA-N	307.434	3.489	10	20	DGCD	
COc1cccc(CNC(=O)/C=C/c2ccc(Cl)s2)c1O	178253579	DHKHGAUWJQKJCD-SOFGYWHQSA-N	323.801	3.445	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cnc2ccc(F)cc2c1	179134375	JJBIUQRGGICHMQ-UHFFFAOYSA-N	310.328	3.352	10	20	DGCD	
C[C@H](NCCCOCCO)c1ccc(N2CCCCCC2)cc1	180238831	COKRNYNNAOXBBY-KRWDZBQOSA-N	320.477	3.117	10	20	DGCD	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(O)c1O	181770556	HPTCTFGPOXDFAI-UHFFFAOYSA-N	316.313	3.184	10	20	DGCD	
C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1O	187827984	QPBFPMJBRLWMGG-NAMSACQYSA-N	309.356	3.279	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC[C@](C)(O)c2ccccc2)c1	187909780	YKZUGNAXFRYVSM-LIRRHRJNSA-N	315.413	3.349	10	20	DGCD	
Cc1ccc(NC(=O)c2cccc(O)c2O)cc1-c1ncco1	193137583	LHHJIGKZRSHMPV-UHFFFAOYSA-N	310.309	3.314	10	20	DGCD	
COc1cccc(C(=O)Nc2ccc(N)cc2)c1OC(F)F	237368928	FNVCFIYRSMDPCR-UHFFFAOYSA-N	308.284	3.131	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccco1	268819611	HACDJWSXUPOXIC-ZDUSSCGKSA-N	318.392	3.231	10	20	DGCD	
C[C@H](NCc1cccc(-n2cncn2)c1)c1ccc(N(C)C)cc1	268853133	CEVDCHZHGTXHHF-HNNXBMFYSA-N	321.428	3.184	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCc3occc32)c1O	278616862	FMAAJQKUCCNTNY-GFCCVEGCSA-N	318.329	3.069	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCC(F)(F)C1	282304319	SPKOLJDQJABSTK-FVOPLDGLSA-N	311.328	3.053	10	20	DGCD	
Cc1cc(C(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)c(C)n1-c1ccccc1	292315801	TZUMWYSHCVLJLI-AYBZRNKSSA-N	324.424	3.080	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](c1ccccc1)C1CC1	294405337	FCTYYTASVCOVGE-VDZSZVPASA-N	323.392	3.421	10	20	DGCD	
CCN(CC)c1ccc(CNc2nccc(N(C)C)n2)cc1F	301722398	KGDPSFCCCUFDSC-UHFFFAOYSA-N	317.412	3.140	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1	321292705	KXUFXUKBKDFMNJ-CYUPMTOZSA-N	316.357	3.462	10	20	DGCD	
Cc1c(CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)n(C)c2ccccc12	348701806	RSJRGJPGFLOGFX-XVSDVWIESA-N	312.413	3.061	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)CF)ccc21	354445023	PFFJZRMBMCVXPO-UHFFFAOYSA-N	320.408	3.382	10	20	DGCD	
CN(C)CC1(NCc2ccc(N3CCCCC3)cc2)CCC1	393582178	XLHVKDVMBZWOJY-UHFFFAOYSA-N	301.478	3.251	10	20	DGCD	
Cc1c(CNC(=O)NC(C2CC2)C2CC2)n(C)c2ccccc12	471587477	IGSCLXWCLXIMDI-UHFFFAOYSA-N	311.429	3.475	10	20	DGCD	
Cc1cc(CNC(=O)c2sccc2-n2c(C)ccc2C)n[nH]1	733287273	LPVNLKVNSMVVSF-UHFFFAOYSA-N	314.414	3.117	10	20	DGCD	
COc1ccc(CNCc2ccc(Br)cn2)cc1C	733798643	XMGRXUCLTMQYLG-UHFFFAOYSA-N	321.218	3.451	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC1CCOCC1	742589210	HEVCTCFQKBRTOF-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)c2ccc(C)o2)c1	743335922	DCGMBSFWGKEMRO-RYUDHWBXSA-N	303.358	3.283	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccccc1O)c1ccc(F)cc1F	748463368	OWYJVDUHQCXOJF-SNVBAGLBSA-N	306.312	3.231	10	20	DGCD	
C[C@@H](N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1	749129648	RZAMYQNJXUJBMZ-WBMJQRKESA-N	308.853	3.398	10	20	DGCD	
C[C@@H](NC(=O)CCC1CCC1)c1ccc(N2CCOCC2)cc1	749357933	AETHULANCMRKQP-OAHLLOKOSA-N	316.445	3.281	10	20	DGCD	
C[C@H]1COC(C)(C)CN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	753202916	HDMGRTOXEFNQRH-UONOGXRCSA-N	319.449	3.023	10	20	DGCD	
CCOc1ccccc1C(F)(F)C(=O)NCc1ccccc1O	753659358	WQINWHXTEZXPEQ-UHFFFAOYSA-N	321.323	3.199	10	20	DGCD	
C[C@H]1C[C@@H](NC2CCN(C3CC3)CC2)c2c(O)ccc(F)c21	756368890	RJZKQXXINGVUTA-XHDPSFHLSA-N	304.409	3.296	10	20	DGCD	
C[C@H](NCc1cn2ccsc2n1)c1cc(F)cc(F)c1O	756455071	IOBFDBQQSYZHMJ-QMMMGPOBSA-N	309.341	3.230	10	20	DGCD	
Cc1cccn2cc(CCN[C@@H](C)c3cc(F)ccc3O)nc12	756626793	CJWYYIAZSHPYRT-ZDUSSCGKSA-N	313.376	3.381	10	20	DGCD	
C[C@@H](NC1COC(C)(C)OC1)c1ccc(N2CCCCC2)cc1	757705542	OJJOCWXSXIUCLJ-OAHLLOKOSA-N	318.461	3.479	10	20	DGCD	
C[C@H](NCCN1CCc2ccccc2C1)c1ccc(N(C)C)cc1	764755082	NCWGQUBDJYFNRP-KRWDZBQOSA-N	323.484	3.462	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C)C1)c1ccc(N2CCCCCC2)cc1	765769483	KUJGFBGWBMYCOX-SJLPKXTDSA-N	301.478	3.422	10	20	DGCD	
CCCCC[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768462141	JXWSSEGVQGHWAD-PBHICJAKSA-N	305.418	3.363	10	20	DGCD	
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)CC)cc1	773754318	MIKYRJMJOXOXNE-MOPGFXCFSA-N	301.478	3.201	10	20	DGCD	
COC(=O)c1ccc([C@@H](C)N[C@H](C)c2cc(OC)ccc2O)o1	775369842	SQNUJLQVHCYTAR-GHMZBOCLSA-N	319.357	3.192	10	20	DGCD	
CC[C@H](NCc1ccnc(N(C)C)n1)c1cc(Cl)ccc1O	775531435	CSZUUYAKDNMLII-AWEZNQCLSA-N	320.824	3.143	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(C(F)F)n1	775676191	OGRDSCRNKXHEPW-UHFFFAOYSA-N	322.359	3.007	10	20	DGCD	
CSCC[C@H](C)N(C)Cc1ccc(N2CCN(C)CC2)cc1	775715117	WMYZXYSIRGDCTH-INIZCTEOSA-N	321.534	3.012	10	20	DGCD	
Cn1c(=O)oc2cc(NCc3cccc(Cl)c3O)ccc21	777496269	LEFRZACWXHTLAO-UHFFFAOYSA-N	304.733	3.103	10	20	DGCD	
CCN(CC)c1ccc(CN(CC(C)(C)O)C2CC2)cc1F	779192065	IYRXXSOTNORNMS-UHFFFAOYSA-N	308.441	3.407	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2ccncc12	779529228	SDAWJZMGWHIJJN-FNORWQNLSA-N	306.321	3.298	10	20	DGCD	
C[C@@H](NCC1(N(C)C)CCC1)c1cc2c(cc1O)CCCC2	783313904	HMELKSNAGQIXPF-CQSZACIVSA-N	302.462	3.406	10	20	DGCD	
CS[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C	783925488	ZBBDBVHPGCWCLL-HNNXBMFYSA-N	323.506	3.330	10	20	DGCD	
COc1cccc(Cl)c1CNC(=O)NCc1ccccc1O	790263778	DKSHMUYUZYRTIR-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cc(O)cs1	791033131	WNGZGZKNRGGFHJ-CYBMUJFWSA-N	316.426	3.100	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)OC[C@@H]2CCCO2)cc1	804945112	QGBZGHPWNQZTLU-KRWDZBQOSA-N	320.433	3.280	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](CO)C(C)C	805317212	SEOQDBOLHQPGDF-AWEZNQCLSA-N	320.458	3.150	10	20	DGCD	
CCc1nnc(CN(C)Cc2ccc(N(CC)CC)cc2)o1	807272511	JBLVTGKOJDDCFL-UHFFFAOYSA-N	302.422	3.110	10	20	DGCD	
CN(C)CC1(CNCc2cc(Cl)c(F)cc2O)CCCC1	816569538	OQSOOWTYCBJQET-UHFFFAOYSA-N	314.832	3.396	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H](C)C2(OC)CCOCC2)cc1	817589055	SYIZCEIYQXDILU-HZPDHXFCSA-N	320.477	3.377	10	20	DGCD	
Oc1cc(OCc2ccccc2)ccc1CNC(CF)CF	824555811	XLHWFNCZGWVVAF-UHFFFAOYSA-N	307.340	3.368	10	20	DGCD	
Oc1c(Cl)cccc1CNCC1CCN(CC2CC2)CC1	827844761	NUWLPOQBHWCLLN-UHFFFAOYSA-N	308.853	3.257	10	20	DGCD	
Cc1cc(CN2C[C@H](O)C(C)(C)C2)ccc1N1CCCCC1	829326721	CLJVBKREMXPZSP-SFHVURJKSA-N	302.462	3.188	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccncc1C	839918821	DAFGKOSMBCMOPK-OAHLLOKOSA-N	311.429	3.125	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1ccn(C)n1	840895035	UXDAOZGPAHJPGV-GJZGRUSLSA-N	300.450	3.076	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](CN2CCCCC2)C1	840917894	UZBVNRYOTIMIJH-SFHVURJKSA-N	315.505	3.369	10	20	DGCD	
C[C@H](CCCN)NCc1ccc(OCc2ccccc2)cc1O	841078985	GRXFLGCYVJTYDA-OAHLLOKOSA-N	314.429	3.188	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](CC(C)C)OC	842187321	UZOKJIJPGBKEJH-MRXNPFEDSA-N	322.449	3.375	10	20	DGCD	
Cc1cc(Br)c(O)c(CNCCCCCCN)c1	843127801	QSDZVIDKXFZRBH-UHFFFAOYSA-N	315.255	3.072	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@@H](C(=O)O)C2)cc1	843304025	RDOMWGLVYZTQRF-CVEARBPZSA-N	304.434	3.266	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@H](C)CO1	845125043	KPUGBDOOLHZRDQ-JKIFEVAISA-N	319.449	3.023	10	20	DGCD	
CCCN(C(=O)NCc1ccc(N2CC=CC2)cc1)C(C)C	847324571	SXRPEUZTTMTADZ-UHFFFAOYSA-N	301.434	3.393	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](C)C(=O)OC(C)(C)C)c1O	848563495	SZJMYBKLIRMTAB-NEPJUHHUSA-N	309.406	3.029	10	20	DGCD	
C[C@@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O	850555922	JYJCMTMCUKISCO-NEPJUHHUSA-N	324.852	3.343	10	20	DGCD	
CC[C@@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(N(C)C)cc1	858526940	BPYYMFLKUOGGQX-MJGOQNOKSA-N	323.440	3.357	10	20	DGCD	
CCC[C@H](OCC)C(=O)NCc1c(O)ccc2c1CCCC2	860243293	JMYTVIFNFQKGCM-KRWDZBQOSA-N	305.418	3.092	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F	862384250	SLNUBBDOWQUKMZ-XCRHUMRWSA-N	324.415	3.156	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNc2ccc3oc(CO)cc3c2)c1	864039227	ACBRXFBHIXQDJM-UHFFFAOYSA-N	314.297	3.151	10	20	DGCD	
Cc1cccc(O)c1CN1CCO[C@@H](c2ccc(F)cc2)C1	876590972	CBMRKXUFRPZJMV-GOSISDBHSA-N	301.361	3.413	10	20	DGCD	
COc1ccc(O)c(CNCc2cc(OC)c(O)cc2Cl)c1	877036004	LZDHNWQTXBEROF-UHFFFAOYSA-N	323.776	3.058	10	20	DGCD	
Cc1cccc(O)c1CN1CCSC[C@@H]1c1nccs1	877406488	TXFHLGIRHMPYGV-CYBMUJFWSA-N	306.456	3.447	10	20	DGCD	
COc1cccc2c1O[C@H](c1cc(Cl)c(F)cc1O)NC2=O	877842360	HQHBMQOHDQSUHY-OAHLLOKOSA-N	323.707	3.014	10	20	DGCD	
CC(=O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2	878233717	WQTLZTMTFPUELH-UHFFFAOYSA-N	303.383	3.115	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)c3ncco3)CC2)cc1	886272589	VLFXAXGUNFZDSE-CYBMUJFWSA-N	301.390	3.003	10	20	DGCD	
COc1ccc(CN2CCCc3ccccc3C2)c(O)c1OC	891931499	KWYSILDBQYCVRP-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
COc1ccc(CNC(C)(C)c2c(C)noc2C)c(O)c1OC	894439634	YKFPDRLIOPDZNY-UHFFFAOYSA-N	320.389	3.039	10	20	DGCD	
COc1ccc(CNc2ccc3c(c2)C[C@H](C)O3)c(O)c1OC	897110287	RJPIEZZQLWTZNX-NSHDSACASA-N	315.369	3.345	10	20	DGCD	
Cc1cccnc1[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1	911762181	WTDCZUGZMACURX-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cnn(CC3CCC3)c2)c1	922217718	WHGQHIZLDPSUOX-ZDUSSCGKSA-N	315.417	3.248	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NC[C@H](O)Cc1ccccc1	1117364206	UKZKWOHVOLMPKR-UAGQMJEPSA-N	311.425	3.442	10	20	DGCD	
CCC[C@H](C)C(=O)NCCCNCc1ccc(OC)c(C)c1	1155875827	SZXJINWMSSEGNR-AWEZNQCLSA-N	306.450	3.036	10	20	DGCD	
CCCCN(C)C[C@@H](C)NCc1ccc(N2CCCC2)cc1	1323890481	FHFIRGNMWOPTIO-QGZVFWFLSA-N	303.494	3.497	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[C@@H](C)NC1	1579674069	MMVGEBAKVSBBKG-RISCZKNCSA-N	317.458	3.026	10	20	DGCD	
CC(C)(C)OC(=O)[C@@H](Sc1ncc(C(=O)O)s1)C1CC1	1589844044	LGKFTKXMZJBIIO-VIFPVBQESA-N	315.416	3.054	10	20	DGCD	
Cc1cc(C)cc([C@H](NCc2cc(F)ccc2O)C(=O)O)c1	1610456234	SMPNFHOCNIQPAF-INIZCTEOSA-N	303.333	3.064	10	20	DGCD	
CC1(C)CC[C@@](NCc2c(O)ccc(Cl)c2F)(C(=O)O)C1	1776546295	ULCAIESGAKJAPT-HNNXBMFYSA-N	315.772	3.308	10	20	DGCD	
CCN1CCc2cc(CNCc3cccc(C(=O)O)c3)ccc21	1776877720	JYBKKMNEABCQBM-UHFFFAOYSA-N	310.397	3.057	10	20	DGCD	
CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S	20220046	IRINDVNFYWTQAM-TWGQIWQCSA-N	301.339	3.119	10	20	DGCD	
CC(=O)OC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	93453951	RKBKZRUVDIDOKK-UHFFFAOYSA-N	318.200	3.227	10	20	DGCD	
CCCN(CC(=O)NCC1CCCCC1)Cc1ccccc1O	110737198	PQQNHLOLUVSUCA-UHFFFAOYSA-N	318.461	3.301	10	20	DGCD	
Cc1cc(Br)cc(CN2CCCO[C@H](C)C2)c1O	124587427	FAZXQVLMORVKFC-LLVKDONJSA-N	314.223	3.074	10	20	DGCD	
CCC(=CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)CC	124610484	JRBQVFATCVYLPK-OAHLLOKOSA-N	316.445	3.447	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2=C(C)OCCC2)cc1F	132832757	XAJJLQMALCGFHM-UHFFFAOYSA-N	320.408	3.373	10	20	DGCD	
Cc1ccc(/C=C2/SC(=S)NC2=O)c(Br)c1	152131103	VXIPVZGQISAEOG-WEVVVXLNSA-N	314.229	3.246	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2C(C)=O)c1	153938607	OXUGHDZLLNAIAP-NSHDSACASA-N	313.353	3.094	10	20	DGCD	
C[C@@H]1CC[C@H](CCC(=O)NCc2ccc3c(c2)CCCN3C)O1	175787982	DQCWRVPVOPNYLQ-RHSMWYFYSA-N	316.445	3.033	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1F	182544096	NGMZYYCRNHDMHB-JTQLQIEISA-N	321.323	3.186	10	20	DGCD	
C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1	182946677	DITPEZRQHCILOP-CQSZACIVSA-N	310.397	3.282	10	20	DGCD	
CCC[C@H](O)CN[C@@H](C)c1cc(Br)cc(C)c1O	187197543	JBVKTNRTXPPONZ-JQWIXIFHSA-N	316.239	3.275	10	20	DGCD	
CC[C@H](C)CC(=O)NC1CCN(c2ccc(OC)cc2)CC1	191039308	PMWZJHFUXZZEPC-AWEZNQCLSA-N	304.434	3.216	10	20	DGCD	
CC(=O)CC(C)(C)CC(=O)NCCCSc1nccs1	191847715	DZDPPUDBMGERGL-UHFFFAOYSA-N	314.476	3.137	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2ccc(OCCC(N)=O)cc2)c(O)c1	192716820	LPXVDTLTVMZQEY-CYBMUJFWSA-N	314.385	3.128	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCCOC1	194437334	GOUZVZZVBOXOBF-AWEZNQCLSA-N	318.442	3.312	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@@H]([C@H]3CCCO3)C2)cc1C(C)C	246309951	WDOPFTUDKPAHKX-RTBURBONSA-N	319.445	3.204	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1n1ccnc1	246773570	PZHIOQPXSALXDU-SWLSCSKDSA-N	305.809	3.325	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](CCO)c2ccccc2)c1	265906578	WROMHHMCVZUMKX-QGZVFWFLSA-N	301.386	3.004	10	20	DGCD	
C[C@](O)(CNCc1ccc(N2CCCCC2)cc1)c1ccco1	266133738	DPKNWYOMCLCCCY-IBGZPJMESA-N	314.429	3.267	10	20	DGCD	
CC[C@H](O)CCNCc1ccc(N(C)C)cc1C(F)(F)F	280132586	DGUVPGYJIAOLOO-ZDUSSCGKSA-N	304.356	3.022	10	20	DGCD	
CC(C)c1[nH]ccc1C(=O)NCc1ccc2c(c1)CCCN2C	285156255	LCXWPVOXWXDHOS-UHFFFAOYSA-N	311.429	3.451	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H](C)CC(C)(C)O)c1O	295067757	OXVWKTDAGZMISB-JTQLQIEISA-N	316.239	3.102	10	20	DGCD	
COc1ccc(COCCN[C@H]2CCc3cccc(O)c32)cc1	296822933	MFRSRMUIIBZOKF-KRWDZBQOSA-N	313.397	3.195	10	20	DGCD	
Cc1cccc(CCNCc2ccc(Br)cc2O)n1	691427846	HXCVVENFKMLTFV-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
CCc1cccc(CNCC(C)(C)NC(=O)OC(C)(C)C)c1O	691506068	AEOMELUPCTVZIS-UHFFFAOYSA-N	322.449	3.348	10	20	DGCD	
O=C(O)c1cccc(NCc2c(O)cccc2Br)c1	706808458	QTUXSNQEIYVOJO-UHFFFAOYSA-N	322.158	3.465	10	20	DGCD	
C[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1nncn1C	729680492	QZXOKQLMUBUNEW-CYBMUJFWSA-N	308.385	3.039	10	20	DGCD	
O=C(OCc1cn2cc(Cl)ccc2n1)c1cc(O)cs1	732353305	FJVPWRIZPXKQFU-UHFFFAOYSA-N	308.746	3.112	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(C)C)no1	734407264	KPVXMPFHIMENHK-UHFFFAOYSA-N	301.390	3.102	10	20	DGCD	
C[C@@H](Oc1ccccc1)C(=O)NCc1ccc2c(c1)CCCN2C	746809351	WFCMNWSXXNWSFR-OAHLLOKOSA-N	324.424	3.153	10	20	DGCD	
CN(CCC1CCOCC1)Cc1c(O)ccc2ccncc12	757607725	SLDTVOIUEQOMBV-UHFFFAOYSA-N	300.402	3.189	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc[nH]1	760871717	WIYBQWZBQYTHHA-CQSZACIVSA-N	314.433	3.373	10	20	DGCD	
CC[C@@H](N[C@@H]1CCCN(C(=O)OC)C1)c1ccc(N(C)C)cc1	765632346	ZRJJBWJAADKNDY-NVXWUHKLSA-N	319.449	3.024	10	20	DGCD	
C[C@H](NC(=O)c1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1	773005707	COOAZXQVVFFGNE-ZDUSSCGKSA-N	310.397	3.179	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCc2cccc(Cl)c2)c1O	774941627	BLUVDHJMNWCTRP-UHFFFAOYSA-N	322.748	3.252	10	20	DGCD	
CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776244454	JKNCGHGCYLYRTB-PBHICJAKSA-N	319.449	3.024	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@H](C)C[C@H](C)O)c1O	779050367	OUNVRXJUIJPOGJ-VWYCJHECSA-N	316.239	3.273	10	20	DGCD	
CCC1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1	779480359	SPPJWEOZBWAPPV-CSKARUKUSA-N	303.402	3.444	10	20	DGCD	
CCN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(OC)cc1	779502328	XZLSOBAEKSOAFR-WZUFQYTHSA-N	313.353	3.173	10	20	DGCD	
C[C@H](N[C@@H](C)[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O	788816547	SNTMPQGMKYFDFN-DCAQKATOSA-N	303.324	3.487	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCc1cn2ccccc2n1	790947669	VXKWIGOBKYPMQA-UHFFFAOYSA-N	305.740	3.122	10	20	DGCD	
C[C@H](N[C@@H](CCO)Cc1ccccc1)c1ccc(N(C)C)cc1	799732526	ZZSVFPKFKOHVBS-LPHOPBHVSA-N	312.457	3.397	10	20	DGCD	
CO[C@H](C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800046634	ANCIQRNANDBKAI-QWHCGFSZSA-N	324.852	3.227	10	20	DGCD	
CO[C@@H](COC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1	801848954	DZYNCZYPYZCPER-PXAMLJHWSA-N	314.337	3.042	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc2ccccn2n1	806645661	DABBOYGWDISMMV-UHFFFAOYSA-N	324.384	3.484	10	20	DGCD	
C[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCOC1	807841287	XCYIFOKNLCXELI-CQSZACIVSA-N	318.200	3.132	10	20	DGCD	
O[C@@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809538882	UWPGBYFXAIZRMY-HXUWFJFHSA-N	322.452	3.206	10	20	DGCD	
COc1cc(C)cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O	811792604	PZOIYQDOJFRWNA-QAPCUYQASA-N	317.429	3.243	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccccc1	815069493	UXPDMIGYJXAJMS-SFHVURJKSA-N	312.413	3.065	10	20	DGCD	
CCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)C	817913373	ZFAZFLAGUISQIP-UHFFFAOYSA-N	303.431	3.187	10	20	DGCD	
C[C@@H](NC[C@@]1(C)CCCNC1)c1cccc(C(F)(F)F)c1O	817966284	KJBIRPWRNJOWIG-ABAIWWIYSA-N	316.367	3.451	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(C)=C3CCC3)C2)cc1	819586619	BTGUTTQHUSUQLG-HNNXBMFYSA-N	314.429	3.138	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC3CC(C(F)F)C3)C2)cc1	822494418	OFXUJMRYCBBZLN-IYXRBSQSSA-N	310.388	3.155	10	20	DGCD	
COc1cccc(C[C@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1	827455028	WSVQEVYPLYGJKV-GOSISDBHSA-N	324.424	3.054	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](CCO)c1ccccc1	840933465	HEFJTDNYBKEDHU-IBGZPJMESA-N	312.457	3.317	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)c1c(F)cccc1F	840934166	MZTSFCUIXLPWFS-KRWDZBQOSA-N	320.383	3.162	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc3ncccc3c2)cc1	841040100	IKKCVFXCIRDMSA-IBGZPJMESA-N	320.440	3.090	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cccc3cccnc23)cc1	841041537	DAMDGMGRGGMZCX-IBGZPJMESA-N	320.440	3.090	10	20	DGCD	
CC(C)CCN(C(=O)C(=O)Nc1ccc(N)cc1)C1CCCC1	841099205	HLPOZFMMLIIQIZ-UHFFFAOYSA-N	317.433	3.025	10	20	DGCD	
Nc1ccc(NC(=O)NCc2ccccc2CN2CCCC2)cc1	841301682	DCSMIBBZBOVOMS-UHFFFAOYSA-N	324.428	3.186	10	20	DGCD	
CCN1C[C@H](CN[C@@H](C)c2ccc3ccccc3c2O)CC1=O	846209997	VFWNSIZUCXRGIQ-KBPBESRZSA-N	312.413	3.064	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@H](O)c2ccccn2)cc1	851716295	LPLSTBWRPOGRGM-IBGZPJMESA-N	313.445	3.093	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)CCCNC(=O)OC(C)(C)C)c1	853521369	ZVRQVVPORMXPOF-UHFFFAOYSA-N	322.449	3.356	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@H]2CCCCN(C)C2)c2c(O)ccc(F)c21	858490664	LKSKNMYGRZHIGH-UMVBOHGHSA-N	306.425	3.401	10	20	DGCD	
COc1ccc(C[C@H](C)NCc2ccc(C)cc2O)cc1OC	877017798	IQPPBQBWBAELSU-AWEZNQCLSA-N	315.413	3.439	10	20	DGCD	
CC(C)c1noc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	888388274	VGZIUQTUKSRATM-NSHDSACASA-N	317.393	3.142	10	20	DGCD	
COc1ccc(CN(CC2CCC2)CC2CC2)c(O)c1OC	894184918	HKBZZYRQUNDKFH-UHFFFAOYSA-N	305.418	3.422	10	20	DGCD	
O=C(CCCCc1ccccc1)NCCc1ccc(O)c(O)c1	897067443	IHBWAMZMFMYYEA-UHFFFAOYSA-N	313.397	3.170	10	20	DGCD	
O=C(O)CCCCCCCNCc1cc(F)cc(F)c1O	903992288	ZDJCOLHFJHJRIC-UHFFFAOYSA-N	301.333	3.185	10	20	DGCD	
CN1CC(=O)N[C@@H]1c1cc(C(C)(C)C)cc(C(C)(C)C)c1O	917500320	GCCIJYRBQLYDST-INIZCTEOSA-N	304.434	3.047	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(C(C)(C)CNCc2ccc3c(c2)CCO3)C1	920181087	XKQMONVKMYVDLZ-HZPDHXFCSA-N	316.489	3.468	10	20	DGCD	
CC[C@H]1C[C@@H](C)CN1c1nnc(-c2sccc2O)n1CC	1121668416	AUJLZRJYSDRHGI-MNOVXSKESA-N	306.435	3.357	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3nc(C)cs3)CC2)cc1	1204381169	XNIVHVWOPSDVEV-UHFFFAOYSA-N	317.458	3.172	10	20	DGCD	
COC1(CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)CCOCC1	1320253307	TWKODAHELHLFIB-ZIAGYGMSSA-N	305.418	3.034	10	20	DGCD	
Oc1cc(Br)ccc1CN1CC(CC(F)F)C1	1328207861	DPKCIXIQEWVFTH-UHFFFAOYSA-N	306.150	3.242	10	20	DGCD	
COc1ccc(CNC[C@H](CCC(=O)O)C(F)(F)F)cc1C	1328488313	UZRVJWGSVZPEHA-LBPRGKRZSA-N	319.323	3.137	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccnc(COC)n2)cc1	1333640945	MEMURUHDKQUJEN-UHFFFAOYSA-N	300.406	3.081	10	20	DGCD	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N)cc1	1336290787	RQRFFWSMFWVCLR-GFCCVEGCSA-N	315.339	3.141	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCC2)c1cc(C(=O)O)ccc1O	1604346883	SZUZKMMNFBYOGF-GFCCVEGCSA-N	311.381	3.430	10	20	DGCD	
C[C@H](NCCc1cc(F)cc(F)c1)c1cc(C(=O)O)ccc1O	1609779809	OQTAOUVHEMJNQR-JTQLQIEISA-N	321.323	3.262	10	20	DGCD	
C[C@H](Sc1nccs1)C(=O)Nc1ccc2c(c1)OCCO2	52913873	XVTBTZJOLVIPSV-VIFPVBQESA-N	322.411	3.034	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C	93480873	SMPJEMMACPHEDV-CABCVRRESA-N	306.425	3.140	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2ncc[nH]2)c1C	114337269	RAQKCBFWLITWHW-UHFFFAOYSA-N	308.385	3.056	10	20	DGCD	
C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	125967357	VLWCMAZGMGALSH-WBVHZDCISA-N	313.445	3.441	10	20	DGCD	
CC[C@@H](NCC1CCN(C(C)=O)CC1)c1ccc(N(C)C)cc1	151060760	MXUHWWCMANMCBB-LJQANCHMSA-N	317.477	3.052	10	20	DGCD	
CSc1ccccc1NC(=O)CN(C)Cc1ccccc1O	171926193	GUYSLARIUYKLMR-UHFFFAOYSA-N	316.426	3.185	10	20	DGCD	
Cc1cccc2c(CCNCc3cc4c(cc3O)OCO4)c[nH]c12	174447384	WCTIXHDWHJYANL-UHFFFAOYSA-N	324.380	3.243	10	20	DGCD	
Cc1cccc(CN2CCO[C@]3(CCc4ccccc43)C2)c1O	180414804	DUPKABWPEOWUFU-HXUWFJFHSA-N	309.409	3.375	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCOCC2CCOCC2)c(O)c1	185520392	GHFRAPKNTMBLIC-OAHLLOKOSA-N	307.434	3.185	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccccc2[N+](=O)[O-])c1	194619399	ABTCGMNCJTUZNQ-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
C[C@@H](NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	223661946	BWPHXUJIGOQNKA-ZIAGYGMSSA-N	320.433	3.300	10	20	DGCD	
C[C@H](Cc1ccco1)NCc1cc(Br)ccc1O	226036475	MNMQRJZNYUFKKN-SNVBAGLBSA-N	310.191	3.469	10	20	DGCD	
N[C@@H]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]21	230126144	KPPIOEMCUDJPDM-LJWDBELGSA-N	315.244	3.258	10	20	DGCD	
CCOc1cccc(CNCC2([C@H](C)CCO)CCC2)c1O	271829564	ONGMFZHGKWIJQW-CQSZACIVSA-N	307.434	3.069	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)c1ccncc1	273587981	OJKGYCIYYHIGNX-LRDDRELGSA-N	314.385	3.376	10	20	DGCD	
CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1O	276013978	QFNUTGVLLAYGKT-SFHVURJKSA-N	302.462	3.270	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1c(C)cc(C)cc1O	293794850	UPACSVFMBKLPKF-HIFRSBDPSA-N	306.450	3.212	10	20	DGCD	
C[C@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1cc(F)ccc1O	321682555	NFKCOWZDPQATNI-LBPRGKRZSA-N	322.424	3.219	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)NCC3(C)CC3)ccc21	357233739	WENWGFDKVWQHNS-UHFFFAOYSA-N	314.429	3.434	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cc(C)on2)c1O	362847824	QPIIZVNIXPASTB-MRXNPFEDSA-N	318.348	3.367	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1C(=O)O	380164203	ZYRZKXKSDMGCRH-KCJUWKMLSA-N	318.200	3.242	10	20	DGCD	
CCOc1ccccc1NC[C@H](O)COCc1ccccc1	390816647	MGVNGEKVHNRVKF-INIZCTEOSA-N	301.386	3.075	10	20	DGCD	
Oc1cccc(Br)c1CNC1CCSCC1	706872513	SLWIENUHEJRQBX-UHFFFAOYSA-N	302.237	3.140	10	20	DGCD	
Cc1cccc(-n2ncc(C(=O)NCc3ccccc3O)c2C)c1	748346188	OVZPBLCNYUCMAK-UHFFFAOYSA-N	321.380	3.125	10	20	DGCD	
C[C@@H](CCCC(F)(F)F)NC(=O)NCc1ccccc1O	755295533	FGEIDJFRVOZFHT-JTQLQIEISA-N	304.312	3.313	10	20	DGCD	
Cc1ccc([C@H](C)NCCC(=O)NC2CCCCC2)c(O)c1C	756440029	CBYVZPAHVWNHMR-HNNXBMFYSA-N	318.461	3.499	10	20	DGCD	
COc1ccc(N(C)Cc2cccc3c2OCO3)cc1OC	761222086	QIRMQMOBZJWLKA-UHFFFAOYSA-N	301.342	3.069	10	20	DGCD	
COC[C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCCN2C	765480331	LTRIUJBCTTXNBH-HXUWFJFHSA-N	324.468	3.416	10	20	DGCD	
O=C(C[C@@H]1C=CCC1)NCc1cccc(Br)c1O	765751237	BNEYFDRSSJMNSQ-SNVBAGLBSA-N	310.191	3.127	10	20	DGCD	
CCN1C(=O)/C(=C/c2cc(F)c(F)cc2F)SC1=S	767707640	QKJCUKQMYAFHFY-WMZJFQQLSA-N	303.330	3.325	10	20	DGCD	
C[C@@H](NC(=O)C[C@H]1CSCCS1)c1ccc(N(C)C)cc1	773001598	VOCSCLOIEOMCQD-DOMZBBRYSA-N	324.515	3.169	10	20	DGCD	
COc1csc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773016204	TYLMSGLSBBXLTP-LLVKDONJSA-N	304.415	3.314	10	20	DGCD	
CC(C)CCO[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773017655	IBSKEBQBNRUDDP-HUUCEWRRSA-N	306.450	3.381	10	20	DGCD	
Cc1noc(C(F)F)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773018749	ZXYHPRUUVSXMCG-SECBINFHSA-N	323.343	3.478	10	20	DGCD	
CCOc1ccc(N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	776585725	ZTNGCYNVFIOZEV-KRWDZBQOSA-N	316.357	3.163	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CCCC(C)(C)C2)c1O	785906781	NLVOHYAORYANOJ-CYBMUJFWSA-N	306.406	3.169	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(C)[C@H](Cc3ccccc3)C2)c1	793619019	AUVNTMFCYRUBRS-LJQANCHMSA-N	310.441	3.059	10	20	DGCD	
CC[C@@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1O	794815721	LDKMQLQDFWQSMV-NVXWUHKLSA-N	319.445	3.470	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)Cc2cnccn2)c1O	808683408	FPUCSVFKHVHZOW-RYUDHWBXSA-N	305.809	3.426	10	20	DGCD	
O[C@@H](CNCCCSc1nccs1)c1cccc(F)c1	819062762	JJYFUIJHSTUJRK-ZDUSSCGKSA-N	312.435	3.088	10	20	DGCD	
Cc1ccc(O)c(CN2CC3(CCC3)[C@H]2C2CCOCC2)c1	822530372	ZAPVLGYGRUJVHP-GOSISDBHSA-N	301.430	3.482	10	20	DGCD	
CCCn1nccc1C(=O)NCc1ccc(N(CC)CC)cc1	822607759	MSZGMJCVIGEDEN-UHFFFAOYSA-N	314.433	3.069	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)NCc1ccc(OC)c(C)c1	824555295	RZRYTPBZMJADBY-ZDUSSCGKSA-N	305.340	3.451	10	20	DGCD	
COc1cccc(CN2CCOC[C@H]2c2ccc(F)cc2)c1O	825046804	YBEANNYNOHPRBK-INIZCTEOSA-N	317.360	3.113	10	20	DGCD	
C[C@@H](C(=O)N[C@H](C)c1ccccc1O)N1CCc2ccccc2C1	827937299	RBSNOXPBGJAAMH-CABCVRRESA-N	324.424	3.016	10	20	DGCD	
CCC(C)(C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	837333698	CNWJCGMXKPRFOT-UHFFFAOYSA-N	318.461	3.449	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@H]2COC3)cc1	838089420	BDCYZXXYOPWNKQ-ROUUACIJSA-N	310.397	3.098	10	20	DGCD	
COc1cccc(CN2CC(Cc3ccc(F)cc3)C2)c1O	839134513	MDFLHNXZKFZEGG-UHFFFAOYSA-N	301.361	3.214	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)co1	839922799	ZEXGONQXNRBYLC-CYBMUJFWSA-N	300.402	3.323	10	20	DGCD	
COc1cccc([C@@H]2C[C@H]2CNCc2cccc(OC)c2O)c1	840973544	OZKVVOGSACHKHW-RDJZCZTQSA-N	313.397	3.303	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@H](C)c2ccc(Cl)cc2O)cn1	841752865	QKQZANNTWGLDGV-SNVBAGLBSA-N	319.792	3.250	10	20	DGCD	
CCCN(Cc1cnnn1-c1ccccc1)c1ccc(CN)cc1	845964804	KXRXSXFNCPWRQX-UHFFFAOYSA-N	321.428	3.143	10	20	DGCD	
CC[C@@H](N[C@@H](CO)CCF)c1ccc(Cl)c(Cl)c1O	846208016	FHLAAPMCHSIXRH-LDYMZIIASA-N	310.196	3.460	10	20	DGCD	
C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1cc([N+](=O)[O-])ccc1O	850544608	YSLZWTUQKILWHL-MGPLVRAMSA-N	314.341	3.344	10	20	DGCD	
C[C@H]1C[C@@H](N2CCCC2)CN1Cc1cc(F)c(N(C)C)cc1F	862365074	LZHQJFNNZNGKFH-DZGCQCFKSA-N	323.431	3.089	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc2nccnc2c1	871600892	YPIVZWJJRYQVOZ-RVDMUPIBSA-N	324.409	3.086	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H]2COc3ccccc3C2)c1O	894136731	CWNSJTWOZNTCBM-CQSZACIVSA-N	313.397	3.050	10	20	DGCD	
COc1ccc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)nc1	894938873	GGLNVYGLQKTSQO-HNNXBMFYSA-N	313.445	3.185	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCCONC(=O)OC(C)(C)C)c1	903240258	WFZQCFVGOGGVKZ-ZDUSSCGKSA-N	324.421	3.198	10	20	DGCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C(C)(F)F)cc1	912109625	ILOJICYPHADDIL-UHFFFAOYSA-N	324.293	3.299	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	916584306	AGXKQCNXGFQUKZ-OVYGPGRDSA-N	314.429	3.358	10	20	DGCD	
C/C=C(\C)C(=O)N1CCC[C@@H](NCc2ccc(OC)c(C)c2)C1	998880478	IBLIMPBJNMTIHV-DRESWSQNSA-N	316.445	3.050	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NC[C@@H]1C[C@@H]2CC[C@H](C1)N2	1119032636	YNSBEFSADJTBIL-QMHWVQJVSA-N	300.446	3.369	10	20	DGCD	
CO[C@@H](CNCc1cc(F)cc(F)c1O)c1ccc(F)cc1	1262030477	LHEDETIRKLHPIB-HNNXBMFYSA-N	311.303	3.287	10	20	DGCD	
CCc1cccc(CN[C@@](C)(C(=O)OC)c2ccccc2)c1O	1333368708	LNRWURZAMIAAIL-LJQANCHMSA-N	313.397	3.133	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCC[C@H](C)CC1	1342567207	DIAXXHXEGGAWLY-NSHDSACASA-N	306.435	3.359	10	20	DGCD	
Cc1cc([C@H](NCc2cc(Cl)ccc2O)C(=O)O)ccc1F	1607612405	NQATUFGLDAHBGD-HNNXBMFYSA-N	323.751	3.409	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1cccc(N2CCCC2)c1	1608039268	QXXJIGCXFKNOOO-UHFFFAOYSA-N	301.342	3.465	10	20	DGCD	
Cc1nc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1	28495305	SMRQWJONUXAPQU-UHFFFAOYSA-N	303.431	3.098	10	20	DGCD	
COc1ccc(NC(=O)N(C)Cc2ccccc2O)c(OC)c1	47338376	ZMFWULXZERBXPO-UHFFFAOYSA-N	316.357	3.073	10	20	DGCD	
CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nccs2)c1	52914314	JLIKZFBPNBNCFP-VIFPVBQESA-N	321.427	3.221	10	20	DGCD	
CC[C@H](NCCCNC(=O)C1CCC1)c1ccc(N(C)C)cc1	90184828	QAZDXMXXYKXCGN-SFHVURJKSA-N	317.477	3.100	10	20	DGCD	
CCOC[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	93838580	RTMICBHYVJAWLB-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
Cc1noc(C)c1CNCc1cccc(Br)c1O	112017522	JDONUGJKQHPWQA-UHFFFAOYSA-N	311.179	3.049	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1ccc(F)cc1Cl	135034974	XWSNBJZRNMQABO-UHFFFAOYSA-N	307.752	3.386	10	20	DGCD	
CSCCCN1C(=O)/C(=C/c2ccc(C)nc2)SC1=S	154296287	PBLMTHVZFLWNEN-WQLSENKSSA-N	324.496	3.344	10	20	DGCD	
CC[C@@H](NCCCN(C)CC(F)(F)F)c1ccccc1O	155160779	GPTHOZTYCBEETA-CYBMUJFWSA-N	304.356	3.317	10	20	DGCD	
CN(Cc1nc(C(F)(F)F)cs1)Cc1ccccc1O	157253110	QCBMEZJRVYVSTI-UHFFFAOYSA-N	302.321	3.500	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1Cl	158902772	VOHLTCQVBFCQBM-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)c2cnn(C)c2)c1C	174378449	OGFHYPIGCGPRTR-UHFFFAOYSA-N	322.412	3.413	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@H]2CCOC2)cc1F	176036330	UBDDIKVPGYIOLC-AWEZNQCLSA-N	322.424	3.105	10	20	DGCD	
CCOCCCN[C@H](C)c1cc(Br)ccc1O	184830430	YUQFRQFHWJHDCN-SNVBAGLBSA-N	302.212	3.232	10	20	DGCD	
CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc3ccccc3c2O)C1	185788170	DEWQJRMIIKIHIG-ZFWWWQNUSA-N	312.413	3.207	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC([C@@H]3CCCO3)CC2)c1	188289677	SZCXFRNCOYEUQU-SFHVURJKSA-N	305.418	3.182	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc([C@H]2NC(=O)CN2CC)cc1	189894455	DLXYUZQMVCAVFX-FQEVSTJZSA-N	323.440	3.163	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2coc(C3CCC3)n2)c1	192790645	WJSRKELSDUCPFP-SNVBAGLBSA-N	316.357	3.147	10	20	DGCD	
CCO[C@H](CNCc1cc(OC)ccc1O)c1ccccc1	195190238	DEMSFAYXCPUBLT-GOSISDBHSA-N	301.386	3.268	10	20	DGCD	
Cc1ccc([C@H](C)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(O)c1	248529210	WPFRTMZGJNHFHX-JYJNAYRXSA-N	320.477	3.239	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NC[C@H]2CCc3nccn3C2)cc1	279008857	SOVSGMZJQMXNPI-JKSUJKDBSA-N	312.461	3.252	10	20	DGCD	
CC(=O)C(=O)CSc1nnc(Nc2cccc(C)c2C)s1	288290332	BIOJFBUGIQSVHP-UHFFFAOYSA-N	321.427	3.149	10	20	DGCD	
CCOCc1cc(CNCC(C)(C)COCC)ccc1OC	288471952	FVIJDGXXGDYOPA-UHFFFAOYSA-N	309.450	3.384	10	20	DGCD	
Cc1cc(CN(C)C2C[C@@H]3CC[C@H](C2)N3C)ccc1N(C)C	293487001	GGTBZQMTDMLVDV-JWTNVVGKSA-N	301.478	3.118	10	20	DGCD	
CS(=O)(=O)Cc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1	296954348	QWZXRJHAWQPMMD-OAHLLOKOSA-N	317.410	3.036	10	20	DGCD	
OC[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCc2cccc(O)c21	297671384	LAFNGMONCPICRZ-YJBOKZPZSA-N	322.408	3.054	10	20	DGCD	
CCOCc1cc(CNCCc2ccc(O)cc2)ccc1OC	299477819	YHTRKPNWSCXLOO-UHFFFAOYSA-N	315.413	3.270	10	20	DGCD	
C[C@@](O)(CNCc1cc(Cl)ccc1O)c1ccc(F)cc1	305718543	VHLQPTOJRTVFRO-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
COCc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)o1	352112837	WTBJBJOVUNLMPL-UHFFFAOYSA-N	312.369	3.156	10	20	DGCD	
CCCCOCCCNCc1ccc(Br)cc1O	691490375	WTFAGEDOMWKVPI-UHFFFAOYSA-N	316.239	3.451	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCSC)cc1	726278918	NZLVDHFFHYABPE-UHFFFAOYSA-N	309.479	3.037	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1C[C@H]1c1c(F)cccc1F	734942813	QFOPJQTYXSFJMS-BXUZGUMPSA-N	318.323	3.026	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCC2(O)CCC2)c1	740725053	YZIQEDJCHCEXTC-UHFFFAOYSA-N	312.413	3.047	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NC34CCC(CC3)C4)ccc21	753146834	CLXLWHHQKHNTKF-UHFFFAOYSA-N	313.445	3.201	10	20	DGCD	
COc1cc(C)cc(CN2CCCN(C3CCCC3)CC2)c1O	754742253	USNMWBBUBWYNAW-UHFFFAOYSA-N	318.461	3.160	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@H](CO)Cc2ccco2)cc1	768841648	MHYXOCNXVITZTC-HZPDHXFCSA-N	316.445	3.238	10	20	DGCD	
COc1cccc(O)c1CN(C)CCOCc1ccccc1	770307481	YFOFJQXOSPUTMP-UHFFFAOYSA-N	301.386	3.049	10	20	DGCD	
C[C@H](NC(=O)C[C@H]1CSCCS1)c1ccc(N(C)C)cc1	773001603	VOCSCLOIEOMCQD-WFASDCNBSA-N	324.515	3.169	10	20	DGCD	
CCCC[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC	775978265	FEHZOAPOXVRPRV-GFCCVEGCSA-N	303.761	3.006	10	20	DGCD	
CSC[C@H](O)CN(C)c1ccc(OCc2ccccc2)cc1	781964067	OAEYDJDVPATGAJ-QGZVFWFLSA-N	317.454	3.426	10	20	DGCD	
CCOC(=O)[C@H](CC)N(Cc1ccc(N(C)C)c(F)c1)C1CC1	787441542	XNXGYEFCHLRTBK-INIZCTEOSA-N	322.424	3.198	10	20	DGCD	
CN(Cc1ccccc1O)c1nc2ccccc2cc1[N+](=O)[O-]	788855198	MZYWTOIZYRRNQT-UHFFFAOYSA-N	309.325	3.485	10	20	DGCD	
CC[C@H](N[C@@H](C)c1nnnn1C1CC1)c1cc(Cl)ccc1O	790755326	MVBJCIOZTYNOHA-ZANVPECISA-N	321.812	3.169	10	20	DGCD	
Cc1cc([C@@H](NC(=O)c2cccc(O)c2O)C2CC2)ccc1F	790906365	YVZFKJMFYVWTMG-INIZCTEOSA-N	315.344	3.426	10	20	DGCD	
COCCCn1ccc(NCc2c(O)ccc(Cl)c2F)n1	790976366	ARAXSXCRDDJKGL-UHFFFAOYSA-N	313.760	3.030	10	20	DGCD	
CC[C@H](C(=O)OC(C)(C)C)N1CCOc2cc(N(C)C)ccc21	792268673	OTVBISIXGVNSOD-CQSZACIVSA-N	320.433	3.072	10	20	DGCD	
COc1ccc(CNCc2cc(OC)c(OC)cc2C)c(O)c1	793387567	HNEWCHSVGUTWNF-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
COc1ccc(CNC(=O)Cc2c(F)cccc2Cl)c(O)c1	794382405	AYBYACOVYRDPNY-UHFFFAOYSA-N	323.751	3.052	10	20	DGCD	
COc1ccc(CNc2nc(C)cc(C(F)(F)F)n2)c(O)c1	795284043	GUZVONMHPJCBHN-UHFFFAOYSA-N	313.279	3.130	10	20	DGCD	
Cc1cc(C(=O)Oc2cnn(C)c2)c(C)n1-c1ccc(F)cc1	800400519	AUUOUYOHCCTKQW-UHFFFAOYSA-N	313.332	3.186	10	20	DGCD	
CN(C)c1ccc(OCc2noc(-c3cccs3)n2)cc1	810001370	DDDQOWNFWVFJGC-UHFFFAOYSA-N	301.371	3.443	10	20	DGCD	
CCCCN(C)C[C@@H](C)NCc1cc(Cl)cc(F)c1O	811511816	VHRIZHJJAVZAAF-LLVKDONJSA-N	302.821	3.395	10	20	DGCD	
COC[C@@H](NC(=O)c1cc(O)cs1)c1cccc(Cl)c1	811582725	IGRBFDUXYWXYLL-GFCCVEGCSA-N	311.790	3.225	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(C)(C)c1cn(C(C)C)nn1	817419836	KVEZJBUAKSNCDY-UHFFFAOYSA-N	315.465	3.258	10	20	DGCD	
CC(C)=CCC[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819170030	SBBUAWCSUMESMC-CQSZACIVSA-N	316.401	3.291	10	20	DGCD	
Cc1ncc(CN(Cc2ccc(N(C)C)cc2)C(C)C)n1C	824568146	ZVGZPQNIPOGRJD-UHFFFAOYSA-N	300.450	3.205	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)CC1(C)C	824820974	RVKSDBBPQCIZAS-CYBMUJFWSA-N	301.789	3.432	10	20	DGCD	
CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc(Cl)c(F)cc1O	825040991	XPAVCJADHLTMPK-MFKMUULPSA-N	315.772	3.006	10	20	DGCD	
CNC(=O)CC1(CNCc2cccc(Cl)c2O)CCCCC1	827594265	FKTMVUNNKSCDCA-UHFFFAOYSA-N	324.852	3.222	10	20	DGCD	
Cc1ccc2c(c1)CC[C@H](C(=O)N[C@H](C)c1ccccc1O)O2	827946979	XCQHXTTYABDPKD-FZKQIMNGSA-N	311.381	3.272	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2ccn(C)n2)cc1F	839190162	CXVKTTYGAJTVFX-CYBMUJFWSA-N	304.413	3.256	10	20	DGCD	
COc1cc2c(c(OC)c1)N(CCOCC(F)(F)F)CCC2	839654860	BHPUFNZXCHYOLA-UHFFFAOYSA-N	319.323	3.035	10	20	DGCD	
Cc1cncc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1	839918059	JCEWJMGSSDAOHJ-HNNXBMFYSA-N	311.429	3.125	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C	840714896	NHBXMZJTJHEHEO-UNEWFSDZSA-N	306.425	3.187	10	20	DGCD	
CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)c1cc(F)ccc1O	840847003	JJPPOABPCZEPQH-ONUMYQOESA-N	301.361	3.494	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)c1cccc(F)c1	840933786	SUPITOFSDMEFEN-GOSISDBHSA-N	302.393	3.023	10	20	DGCD	
CC(C)(C)c1csc(NC(=O)NCCc2ccc(N)cc2)n1	841012780	DWDZJUFBQIOBAI-UHFFFAOYSA-N	318.446	3.387	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2ncc(C)cc2C)c1O	848559518	DQLLDMMVRQUDGX-CQSZACIVSA-N	300.402	3.306	10	20	DGCD	
COC(=O)C(C)(C)C(=O)[C@@H](C)Sc1ncc(Cl)s1	850000495	WYPIZTKGOCGDEU-ZCFIWIBFSA-N	307.824	3.045	10	20	DGCD	
C[C@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N(C)C)cc1	850558880	VAKMKBJBWVOOJM-LSDHHAIUSA-N	317.477	3.050	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@H](C)Cc2cccs2)c1	858249559	WNPIOHSPXIROEG-CYBMUJFWSA-N	318.442	3.440	10	20	DGCD	
C[C@@H](NCc1noc(C2CCC2)n1)c1ccc(N(C)C)cc1	859258335	MTXXYTYKBYSPBC-GFCCVEGCSA-N	300.406	3.254	10	20	DGCD	
COc1ccc(CCCC(=O)NCc2cc(C)ccc2O)cc1	862759053	TYTWQBWSBMONER-UHFFFAOYSA-N	313.397	3.348	10	20	DGCD	
CN(C)c1cc(F)c(CNCCCCCCC(=O)O)cc1F	864504108	OKDKIAFXHODRKL-UHFFFAOYSA-N	314.376	3.156	10	20	DGCD	
Cc1cccc(O)c1CN[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C	877602948	AJSYMOAWVCFUGJ-ZIAGYGMSSA-N	322.449	3.482	10	20	DGCD	
COc1cc(C)cc(CNCc2ccc(N(C)C)c(F)c2)c1O	894208904	MWORAINUQHHYGB-UHFFFAOYSA-N	318.392	3.204	10	20	DGCD	
CCOC(=O)[C@@](C)(NCc1ccc(C)cc1O)c1ccccc1	895896681	YVIACDKTFBDTLY-IBGZPJMESA-N	313.397	3.269	10	20	DGCD	
C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1	903449178	WBJOCSGSIIRFKC-YOEHRIQHSA-N	301.434	3.299	10	20	DGCD	
CCC[C@@H](CCCCNCc1cc(F)cc(F)c1O)C(=O)O	904018470	QSCUBOYUEHCOJN-NSHDSACASA-N	315.360	3.431	10	20	DGCD	
Cc1cc(C(=O)OCC(=O)C(C)(C)C)c(C)n1-c1ccccn1	914613518	DUTCXIFLQQTIQG-UHFFFAOYSA-N	314.385	3.261	10	20	DGCD	
CC[C@@H](CNCc1ccc(N(CC)CC)cc1)N1CCCC1	915228213	IVUKRVOLNQAHEI-SFHVURJKSA-N	303.494	3.497	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCCCOC)cc1	916504222	GSJGMBYQWXCMIG-UHFFFAOYSA-N	321.465	3.101	10	20	DGCD	
C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	916826550	HYOZIQVPKSHKOB-ZUZCIYMTSA-N	305.333	3.057	10	20	DGCD	
CC(C)c1noc(CCN[C@@H](C)c2cc(F)cc(F)c2O)n1	1116589335	UHRWJBJQIDTQDP-VIFPVBQESA-N	311.332	3.070	10	20	DGCD	
Cc1csc(CCCNC(=O)N[C@H](C)c2ccccc2O)n1	1118971034	SRXPWICAZKKYRD-GFCCVEGCSA-N	319.430	3.150	10	20	DGCD	
COc1ccc(CNCCNC(=O)C(C)(C)C2CCC2)cc1C	1131948653	PWOBQCAPSNIPPL-UHFFFAOYSA-N	318.461	3.036	10	20	DGCD	
Cc1cc(CNC[C@H]2CC(F)(F)CN2)c(C)n1-c1ccccc1	1579601244	LDCKABLLAJGYJY-MRXNPFEDSA-N	319.399	3.181	10	20	DGCD	
CCc1cccc(CN2CCc3cc(C(=O)O)ccc3C2)c1O	1597587508	ZXKLIXMYNSNVPN-UHFFFAOYSA-N	311.381	3.211	10	20	DGCD	
CCC(=O)N1CCCC[C@@H]1CCNCc1ccc(OC)c(C)c1	1753769719	UIYQTGTUFKFANR-QGZVFWFLSA-N	318.461	3.274	10	20	DGCD	
C[C@@H](C(=O)O)[C@H](NCc1cc(F)cc(F)c1O)c1ccccc1	1776223451	VQDGKVXRANHZSL-BMIGLBTASA-N	321.323	3.222	10	20	DGCD	
C[C@H]1SCCN(Cc2cccc(Br)c2O)[C@@H]1C	93501022	MBRMPMYUBIWGCC-NXEZZACHSA-N	316.264	3.481	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](CN3CCCCC3)C2)cc1F	131157096	GAPCUKCASZRROJ-QGZVFWFLSA-N	319.468	3.200	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2cnc(C)s2)c1	153897628	VDCTXGJFJPOAEP-STUBTGCMSA-N	318.398	3.056	10	20	DGCD	
CC[C@@H](NCCNC(=O)c1ccccc1F)c1ccccc1O	155256655	NGVVHAJFGRHFGU-MRXNPFEDSA-N	316.376	3.002	10	20	DGCD	
C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccc(O)c(O)c1	158996155	XBQVJGXWYHYAIY-GFCCVEGCSA-N	317.360	3.122	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1noc2c1CCCC2	163190124	NHUZUNKCFFNEJW-UHFFFAOYSA-N	313.401	3.018	10	20	DGCD	
C[C@H](c1ccccc1)N(CC(=O)NC1CC1)Cc1ccccc1O	176674198	YUCDNHNCEPAZDV-OAHLLOKOSA-N	324.424	3.234	10	20	DGCD	
CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1	180641540	JKSDBQLPTQDXRI-PKNBQFBNSA-N	311.381	3.205	10	20	DGCD	
CC[S@@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2ccc(F)cc2O)C1	185657427	JRDJJEMLORZWLR-GCAAKWKVSA-N	313.438	3.262	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1C[C@H](C)Oc2c(F)cccc21	187109351	VEXFEFIYSDJMRN-FGEFZZPRSA-N	318.373	3.418	10	20	DGCD	
CN(Cc1nncn1C)c1ccc(OCc2ccccc2)cc1	189645535	FQQQTPIXWUTAEK-UHFFFAOYSA-N	308.385	3.031	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2CCSCC2)cc1	264852197	NBWPYJMXDSNCRX-UHFFFAOYSA-N	306.475	3.292	10	20	DGCD	
COc1cc(O)c(CN2CCC=C(c3ccco3)C2)cc1OC	284955910	BQXDKEPQWUEDEP-UHFFFAOYSA-N	315.369	3.292	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC2CCN(C(=O)C(C)(C)C)CC2)c1	319775702	LPBGPKHPOWEYLH-AWEZNQCLSA-N	318.461	3.388	10	20	DGCD	
Cc1cc(O)c(CN2CCCC3(CCN(C)CC3)C2)cc1C	369701463	FACDDCJOBQXZGN-UHFFFAOYSA-N	302.462	3.317	10	20	DGCD	
C[C@@H]1C[C@@H](CNCc2cccc(Br)c2O)CCO1	388683370	ISFRGNWGMVMELF-MNOVXSKESA-N	314.223	3.059	10	20	DGCD	
Cn1cc(Cl)c(CNCc2ccc(N3CCCCC3)cc2)n1	393405276	IAAWBOJAOFGYFR-UHFFFAOYSA-N	318.852	3.354	10	20	DGCD	
Cc1cccc(OCC(=O)NCc2c(C)c3ccccc3n2C)c1	471227368	JRAHAVWMQHJUFG-UHFFFAOYSA-N	322.408	3.490	10	20	DGCD	
CCc1noc(CN(Cc2ccccc2O)C2CCCC2)n1	731847107	CWAUPOYRQUIPBH-UHFFFAOYSA-N	301.390	3.282	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H](O)C(C)(C)C	735836909	NPVMZBHNZFGDDM-QGZVFWFLSA-N	318.461	3.042	10	20	DGCD	
C[C@H](CN(Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1)C(=O)O	736584026	OLJWDYYOYFUGRZ-LLVKDONJSA-N	321.417	3.080	10	20	DGCD	
CCN(CC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(OC)cc1	746109772	VLIICXSQRWKNHS-PBHICJAKSA-N	304.434	3.216	10	20	DGCD	
CCOc1ccc(NC(=O)NCc2ccccc2O)cc1OC	748443506	PYIFUSVSBYCVJW-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
COCc1nc(COc2ccc(N3CCCC3)cc2)cs1	749792231	ZQEDTHALKWKDED-UHFFFAOYSA-N	304.415	3.469	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)c(O)c1C	756503382	NIAHEUICACEJGB-CHWSQXEVSA-N	316.367	3.296	10	20	DGCD	
CCN1CCC(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1	756534668	MFWRXWQTFWGWIN-IUODEOHRSA-N	306.425	3.401	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCCc1ccsc1	759593037	IIZPNAHNJNJFCR-XQRVVYSFSA-N	304.367	3.349	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1scnc1C1CC1	762973182	JSVWMXAWESOIDB-UHFFFAOYSA-N	303.387	3.390	10	20	DGCD	
O=C(NCCCSc1nccs1)N[C@@H]1CCC(F)(F)C1	764362470	ZJJIVRZZFZVYNG-SECBINFHSA-N	321.418	3.112	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C[C@H](c1ccccc1)N(C)C	764612742	YEFALDJDEVDCHK-QGZVFWFLSA-N	312.413	3.044	10	20	DGCD	
Cc1cc(C(=O)N2CCc3ncccc32)c(C)n1-c1ccccn1	770315605	AEUFWQQTSUWTBN-UHFFFAOYSA-N	318.380	3.087	10	20	DGCD	
C[C@@H](NC(=O)NCCc1cccs1)c1ccc(N(C)C)cc1	773111247	MMMVWKKMIYPYGT-CYBMUJFWSA-N	317.458	3.417	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1O	775056113	VTWMANYEGBFTAV-UBHSHLNASA-N	320.389	3.320	10	20	DGCD	
COCCN(Cc1cc(Cl)cc(F)c1O)CC(F)(F)F	775665572	TUVFDAKCGRONKI-UHFFFAOYSA-N	315.694	3.195	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3cc(Cl)cc(F)c3O)CC[C@H]21	775742539	UUFGYCYROOJSLP-XHDPSFHLSA-N	312.816	3.101	10	20	DGCD	
Oc1ccc(F)cc1CNC1(c2ccc3c(c2)OCO3)CC1	779093932	MSOUNLKGMNHUOP-UHFFFAOYSA-N	301.317	3.039	10	20	DGCD	
Cc1cccc(CN[C@H](C)CCNC(=O)OC(C)(C)C)c1O	793602392	WQQSLHAYFDDBNK-CYBMUJFWSA-N	308.422	3.094	10	20	DGCD	
COc1cc(C)cc(CN(C)Cc2ccccc2N(C)C)c1O	808235686	ZMZQVVJFEBXBJS-UHFFFAOYSA-N	314.429	3.407	10	20	DGCD	
CC[C@H](CSC)N(C)Cc1ccc(N2CCOCC2)cc1	809767813	UYAGFUAUQVWIQB-MRXNPFEDSA-N	308.491	3.097	10	20	DGCD	
CCC(CC)N(CC)Cc1ccc(N2CCN(C)CC2)cc1	809787526	GZZZUXIIXFAGDL-UHFFFAOYSA-N	303.494	3.449	10	20	DGCD	
COc1ccc2c(NCCc3ccc(O)c(O)c3)ccnc2c1	811811535	XCUGFGBRTLXYSD-UHFFFAOYSA-N	310.353	3.309	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H](C)COC	812563466	ALUYVGMRTISLBO-GJZGRUSLSA-N	307.434	3.440	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nccn2CC)cc1	813390118	YNQBNHNSKOKFET-UHFFFAOYSA-N	314.433	3.021	10	20	DGCD	
OCC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)CC1	817419232	RHWDBJFCMPRSNJ-LLVKDONJSA-N	301.789	3.169	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](n3ccnn3)C2)cc1C(C)C	819894732	AKKAYMJYMDASHY-INIZCTEOSA-N	314.433	3.253	10	20	DGCD	
COc1cc(N(C)Cc2cc(F)ncc2F)cc(OC)c1OC	824131076	NIYOSEWBDSWPDV-UHFFFAOYSA-N	324.327	3.022	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)CC2(C)CCCCC2)cc1	832266895	KWLDNLKAAXHONE-QGZVFWFLSA-N	317.477	3.229	10	20	DGCD	
C[C@H](Cc1cnn(C)c1)N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	834896281	JOPOFHDGXWCLFF-GYSYKLTISA-N	303.381	3.034	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1c1ccccc1F	838758352	SMHOHCVTGVCMHX-GOEBONIOSA-N	314.360	3.229	10	20	DGCD	
CSC1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1	839920765	DSEMMBMQGIKLCK-ZDUSSCGKSA-N	306.475	3.004	10	20	DGCD	
CSC1(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCC1	839921322	JIEZPNRRRLJGTQ-AWEZNQCLSA-N	320.502	3.394	10	20	DGCD	
CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CCO1	841296249	RWEMNHPXVDAGPE-CVEARBPZSA-N	305.422	3.374	10	20	DGCD	
CCC[C@@H](CC)S(=O)(=O)Nc1ccc(O)cc1OCC	844665807	SCRKAHGJCLAEMC-GFCCVEGCSA-N	301.408	3.111	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(F)F)nc2)c1	847590852	IRUGILDJPQDWPB-SECBINFHSA-N	322.311	3.224	10	20	DGCD	
CCc1cccc(CNC[C@@H](O)c2ccccc2Cl)c1O	848896494	BONRGKDWZYWFFL-MRXNPFEDSA-N	305.805	3.431	10	20	DGCD	
O=C(N[C@@H]1CCCC[C@H]1NCc1ccccc1O)c1ccccc1	850415374	VBQXOXKNWPVVPL-QZTJIDSGSA-N	324.424	3.223	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)NCC3=CCCC3)cs2)cc1	851647855	NWRUKXANMMFJAL-UHFFFAOYSA-N	313.426	3.156	10	20	DGCD	
CCCC[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C(C)C	856994433	MUVIMUVWCFZJSF-ZWKOTPCHSA-N	319.493	3.331	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	858827082	VFOGPUOEVNCGNV-LLDVTBCESA-N	318.461	3.161	10	20	DGCD	
CN(C)c1cc(F)c(CN(C[C@H]2CCOC2)C2CC2)cc1F	862218377	KSLXAHPMUYCUIE-GFCCVEGCSA-N	310.388	3.032	10	20	DGCD	
Cc1cc(CN2[C@H](C)CC(C(=O)O)C[C@H]2C)ccc1N(C)C	863476395	COEWTUNMBQDZDN-ZIAGYGMSSA-N	304.434	3.135	10	20	DGCD	
CN=[S@@](C)(=O)c1cccc(NCc2cccc(OC)c2O)c1	864014855	XWDWAQZHYMJRBT-QFIPXVFZSA-N	320.414	3.099	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C)C2(OC)CCOCC2)cc1C	873132323	OTJKTFHAYCOCOZ-INIZCTEOSA-N	321.461	3.458	10	20	DGCD	
CC[C@H]1[C@@H](C)CCN1Cc1ccc(N2CCC(O)CC2)cc1	877413927	UANNOJGDJOUDET-KXBFYZLASA-N	302.462	3.268	10	20	DGCD	
COCCCN(Cc1ccncc1)Cc1c(C)cccc1O	877525377	AVHCNAIJTYLPEH-UHFFFAOYSA-N	300.402	3.134	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](CC2CCCC2)C(=O)O)cc1	900084179	QBRRABPERRVZTQ-MRXNPFEDSA-N	304.434	3.123	10	20	DGCD	
CC(C)N(CC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1	917075500	XUUUSAQPCDDBTG-UHFFFAOYSA-N	306.450	3.305	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@H]1CCCO1	919566154	LIFMPDIOTWHUGE-CYBMUJFWSA-N	305.399	3.491	10	20	DGCD	
C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1	920053411	FWJLMTSNDZBXLP-CQSZACIVSA-N	301.434	3.132	10	20	DGCD	
CC(=O)N1CCC(CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)CC1	1116565000	DCHGTPIAVSUVIQ-CJNGLKHVSA-N	316.445	3.097	10	20	DGCD	
CCN(CC)C1CCN(Cc2cc(Cl)cc(F)c2O)CC1	1237619636	ATHZWQWMHNGZPR-UHFFFAOYSA-N	314.832	3.491	10	20	DGCD	
CO[C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1338688493	ULZYVUPPZVDBHJ-QZTJIDSGSA-N	316.445	3.059	10	20	DGCD	
C[C@](O)(CNCc1ccc(N2CCCC2)cc1)c1ccsc1	1339414840	QSPXEAZOCUJPEB-SFHVURJKSA-N	316.470	3.346	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCC[C@H]1C(F)(F)F	1349079064	JYYMKLNKWFRCMZ-GHMZBOCLSA-N	317.307	3.083	10	20	DGCD	
CC1(C)C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1	1353620203	WZHNNDNBMFKBFU-AWEZNQCLSA-N	317.429	3.092	10	20	DGCD	
C[C@@H](N[C@@H]1CCOC2(CCCC2)C1)c1cc(C(=O)O)ccc1O	1593234252	WSECLDSJYSEOBM-TZMCWYRMSA-N	319.401	3.233	10	20	DGCD	
COc1cc(CN[C@H]2CCC[C@H]2C(=O)O)c(O)c(C(C)(C)C)c1	1594058583	GJTSDWRBPZIFNV-HIFRSBDPSA-N	321.417	3.041	10	20	DGCD	
O=C(O)c1ccc(CNCc2cc(Cl)ccc2O)c(F)c1	1602347646	GVABDTZJKFPDLO-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
O=C(O)c1ccc(Cl)c(CNCc2c(O)cccc2F)c1	1602361353	RUWJNEHQLQDJEE-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CC3(CCCC3)C2)c([N+](=O)[O-])c1	1610750438	JZMBFCBQDUNXAT-GQCTYLIASA-N	302.330	3.073	10	20	DGCD	
C[C@H](NCC1(C)OCCO1)c1ccc(N2CCCCC2)c(F)c1	179571758	XIZXFUCNPGUVHG-AWEZNQCLSA-N	322.424	3.230	10	20	DGCD	
C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1O	185122152	VDCSXADDZVQGKQ-PZDALLCQSA-N	303.789	3.355	10	20	DGCD	
CCOC(=O)N1CCC([C@H](C)N[C@@H](C)c2ccccc2O)CC1	187685732	LINNNGUVMCMTSS-KBPBESRZSA-N	320.433	3.300	10	20	DGCD	
CSc1ccsc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183488103	VINBXLOUBHFMRC-VIFPVBQESA-N	323.439	3.242	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)C2CCCCC2)cc1F	121810711	HVNCXIVDPCRUBX-UHFFFAOYSA-N	308.397	3.062	10	20	DGCD	
CO[C@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	76244565	GFGDBMGXMWTAIR-AWEZNQCLSA-N	318.442	3.407	10	20	DGCD	
Cc1cccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1O	180765582	QQMLAXWETUJOLO-CRAIPNDOSA-N	300.446	3.149	10	20	DGCD	
C[C@@H](O)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	136825171	KXVHPJKKOAEFOO-SJLPKXTDSA-N	302.462	3.270	10	20	DGCD	
COc1ccc(N(C)CCCCCn2cccn2)c(OC)c1	132017566	NNXVIZUUFSWVSH-UHFFFAOYSA-N	303.406	3.207	10	20	DGCD	
Cc1cccc(CNC[C@](C)(Cc2ccccc2)[C@H](C)O)c1O	191779898	ZXIXMHNCZZBPLL-JXFKEZNVSA-N	313.441	3.420	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1	237911873	DRQRNEWFUHQCQJ-OAHLLOKOSA-N	316.401	3.304	10	20	DGCD	
Cc1occc1CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	92438558	ZGUJJPOVYSHLNX-UHFFFAOYSA-N	310.737	3.487	10	20	DGCD	
Cc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)ccn1	527536343	WRQDCIRQHPJACG-GOSISDBHSA-N	312.413	3.277	10	20	DGCD	
CCCN(Cc1nc(-c2ccccn2)no1)Cc1ccccc1O	363064276	WZQBFEWLRRDERS-UHFFFAOYSA-N	324.384	3.249	10	20	DGCD	
Oc1c(F)cccc1CN1CCC[C@H](c2noc(C3CC3)n2)C1	272511150	XADLUBGVOWFLJF-ZDUSSCGKSA-N	317.364	3.171	10	20	DGCD	
COc1cccc(CN[C@H](C)c2nccn2-c2ccccc2)c1O	377353843	DIWRHJZZNIVMJD-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
Cc1ccc([C@@H](C)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(O)c1	296621254	WXBJLPMLWOFEGC-OWCLPIDISA-N	324.424	3.043	10	20	DGCD	
CC(C)C[C@H](C)CNCc1ccc(N2CCOCC2)c(F)c1	809607251	UIHSAMOEEQQZFM-HNNXBMFYSA-N	308.441	3.434	10	20	DGCD	
C[C@H](NCc1cccc(N2CCOCC2)c1)c1ccccc1O	293564762	AUOAEWJODDTZFK-HNNXBMFYSA-N	312.413	3.080	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC(C)(C)c2ccccn2)c1	294923851	YYGPXVUEISZGMD-CYBMUJFWSA-N	300.402	3.424	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)N1CCCCC1	801598630	DHIVXQMAWYXCEU-INIZCTEOSA-N	318.461	3.395	10	20	DGCD	
OCC1CCN(c2ccc(CN[C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1	800968938	XVUFQNOEPBLECQ-DFQSSKMNSA-N	314.473	3.174	10	20	DGCD	
CCOCC(C)(C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	808291309	ILYWNJPMCSHMBG-CQSZACIVSA-N	321.465	3.176	10	20	DGCD	
CCOc1ccc(CN[C@@H]2COc3c(C)cccc3C2)c(O)c1	810178007	HQDIIMRRSIXDPF-INIZCTEOSA-N	313.397	3.193	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@](CO)(C(C)C)C2)cc1	815232209	TXNQZNSPNCJMPZ-IBGZPJMESA-N	304.478	3.373	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2CCO)ccc1N1CCCCC1	828988001	PHDNGYPNCQYZEE-GOSISDBHSA-N	302.462	3.332	10	20	DGCD	
CCN(C(=O)c1cccc2c1CCNC2)c1ccc(OC)cc1	662470950	ZCTIZTDTJZFQIM-UHFFFAOYSA-N	310.397	3.008	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1nc2ccccc2n1C	735925368	FMALEUIQYKTWDJ-ZDUSSCGKSA-N	307.397	3.359	10	20	DGCD	
O=C(O)[C@@H](CC1CCCCC1)NCc1cc(F)cc(F)c1O	904014475	RXXWXHNRYFMMLZ-CQSZACIVSA-N	313.344	3.184	10	20	DGCD	
CCN(CC)c1ccc(CNCC[C@H]2CCCN(C)C2)cc1	839182145	LDCNNMVTALGMEH-GOSISDBHSA-N	303.494	3.354	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2cc3ccccc3o2)cc1	918755291	YKLVKSLWBRQTNK-UHFFFAOYSA-N	308.381	3.358	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H](N2CCCC2)C1	840910859	NOAOGSQMIIXQNG-IBGZPJMESA-N	301.478	3.121	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1C[C@]12CCCc1ccccc12	743326683	GRZNAFCRFJMDDT-PXNSSMCTSA-N	307.393	3.303	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)CC(=O)NCc1cc(Cl)ccc1O	846476849	QWPNAUZGFGTNIA-VIFPVBQESA-N	322.792	3.460	10	20	DGCD	
Cc1ccn2cc(CNCc3ccc(N(C)C)cc3C)nc2c1	840932775	UGOFDGBFIYNUGZ-UHFFFAOYSA-N	308.429	3.307	10	20	DGCD	
CN(C)c1ccc(CNc2nc(C3CCOCC3)ns2)cc1	853093321	CFCWFXVBYHJCGV-UHFFFAOYSA-N	318.446	3.110	10	20	DGCD	
C[C@H](NCCNc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756642353	NBWRXOMJGAGEGS-LBPRGKRZSA-N	301.346	3.063	10	20	DGCD	
COc1cc(COC(=O)c2cccc(O)c2O)ccc1SC	758547389	KPAFSYXDGCZLHU-UHFFFAOYSA-N	320.366	3.185	10	20	DGCD	
Oc1cccc(Cl)c1CNCC1CCN(CC2CC2)CC1	850421183	WGMGCISWAKXXCV-UHFFFAOYSA-N	308.853	3.257	10	20	DGCD	
COc1cccc(O)c1CN(C)Cc1ncc(C)c(OC)c1C	757903017	LYDHAWXUFFCVEL-UHFFFAOYSA-N	316.401	3.053	10	20	DGCD	
COc1cccc(CN(Cc2ccccc2)Cc2cc[nH]n2)c1O	769326802	HLOZJQYCHHRQLD-UHFFFAOYSA-N	323.396	3.326	10	20	DGCD	
COc1ccc(N2CCN(Cc3c(F)cccc3F)CC2)cc1	768140931	ZUAUGXPNEUGISK-UHFFFAOYSA-N	318.367	3.296	10	20	DGCD	
Nc1ccc2c(c1)OCCN(Cc1cccc(Cl)c1O)C2	873219864	PKCHEDCLBAHUAW-UHFFFAOYSA-N	304.777	3.022	10	20	DGCD	
CC(=O)CCCCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773744196	PGCUXMBDIGILKV-CYBMUJFWSA-N	321.417	3.075	10	20	DGCD	
Oc1ccc(F)cc1CNC1(c2ccccc2)CCOCC1	779080908	FUJPKJPFWGQUDQ-UHFFFAOYSA-N	301.361	3.327	10	20	DGCD	
CCC(C)(C)NC(=S)NCc1ccc2c(c1)CCCN2C	774173519	MXFHQYSZDBZFMZ-UHFFFAOYSA-N	305.491	3.222	10	20	DGCD	
CC(C)(C)[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	772127888	VYXAEPMFEYQDOT-SNVBAGLBSA-N	316.188	3.047	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@@H](C(N)=O)C1	779204461	SNUXNQGTOZJVAE-RDTXWAMCSA-N	324.424	3.145	10	20	DGCD	
CCO[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	885347923	SSQADKVGGVWPDK-AWEZNQCLSA-N	318.442	3.407	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CCS[C@H]3C)CC2)cc1	783609567	YONGFBHTSSGGDQ-GUYCJALGSA-N	306.475	3.148	10	20	DGCD	
COc1cc(OC)c(NCc2cc(C)cc(OC)c2O)cc1F	894131363	NEIRCXRDXKEXOZ-UHFFFAOYSA-N	321.348	3.478	10	20	DGCD	
c1cn(C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)cn1	1204320750	ACOYLCCXCJEXHP-UHFFFAOYSA-N	310.445	3.320	10	20	DGCD	
COc1cc(C)cc(CNc2ccc(CCN(C)C)cc2)c1O	894123178	WVGYOIGDUOKMNR-UHFFFAOYSA-N	314.429	3.425	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ncc(C(C)C)s2)c(O)c1	797649995	DBPXWURMDXJKGK-UHFFFAOYSA-N	321.402	3.302	10	20	DGCD	
CCOC1CC2(CCN(Cc3cc(OC)c(C)cc3O)C2)C1	795720728	OMJDLODJTLDVKT-UHFFFAOYSA-N	305.418	3.100	10	20	DGCD	
COC(=O)[C@@H](C)N(Cc1cc(Cl)cc(F)c1O)C1CCC1	792186650	PRNPIWDQHOISIN-SECBINFHSA-N	315.772	3.101	10	20	DGCD	
O=C(Cc1cccc(F)c1)Nc1c(Cl)ccc2nonc12	1324856761	DXPFYCPRVNCQFN-UHFFFAOYSA-N	305.696	3.197	10	20	DGCD	
COc1cc(Cl)cc(CNCCCc2nccs2)c1O	273792750	VRMHIOZCPTYQSK-UHFFFAOYSA-N	312.822	3.233	10	20	DGCD	
Oc1cccc(Br)c1CNC[C@@H]1CCCS1	706871975	ANMNNZMUGXWPSR-VIFPVBQESA-N	302.237	3.140	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNC1CCSCC1	715788849	MOMCXLHLEGEWIQ-UHFFFAOYSA-N	320.227	3.279	10	20	DGCD	
O=C(O)[C@@H]1CCCCCN1Cc1ccc(N2CCCC2)cc1	1608628740	DYEYZAWZAMEVNF-KRWDZBQOSA-N	302.418	3.116	10	20	DGCD	
COc1ccc(CNCC[C@@H](C)NC(=O)CC2CCC2)cc1C	1753954996	RQQJNCNAZDBTDK-OAHLLOKOSA-N	318.461	3.178	10	20	DGCD	
COc1ccc2c(c1)CCN2[C@H](C(=O)O)c1cc(F)cc(F)c1	1777373306	IBQXXVINXKJSPB-INIZCTEOSA-N	319.307	3.162	10	20	DGCD	
CCCN(Cc1ccccc1O)c1ccc(C(=O)O)c(C)n1	1776813152	LPYONJMZEICVRZ-UHFFFAOYSA-N	300.358	3.210	10	20	DGCD	
Cc1cccc2[nH]c(CNCc3ccc(C(=O)O)cc3O)cc12	1777448728	LIEMJIHARXNXOW-UHFFFAOYSA-N	310.353	3.170	10	20	DGCD	
CCN(CC)c1ccc(CNC2CC3(C2)C[C@H]3C(=O)O)cc1F	1776861195	NLYGJDKFKHXDEU-FVRSWCFKSA-N	320.408	3.015	10	20	DGCD	
COC[C@H]1CCCN1Cc1cc(OC)cc(C(C)(C)C)c1O	164456278	DDQBOULONFFTQM-CQSZACIVSA-N	307.434	3.309	10	20	DGCD	
CC[C@@H](NCCn1cccn1)c1cc(Br)ccc1O	49074692	RGSRXZQWANKAKB-CYBMUJFWSA-N	324.222	3.092	10	20	DGCD	
NCC[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	70148607	JMTKXEPGYVJZTM-GFCCVEGCSA-N	303.233	3.402	10	20	DGCD	
CO[C@]1(C)CCCN(Cc2c(O)cccc2Br)C1	707146315	NBHKGFPIMAFEKW-CQSZACIVSA-N	314.223	3.156	10	20	DGCD	
CC(C)[C@@H]1CN(Cc2cccc(Br)c2O)CCO1	709029015	JYWJZZCQCBJZOX-ZDUSSCGKSA-N	314.223	3.012	10	20	DGCD	
C[C@H](NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1O	715146625	OKWIASASWIMLBA-MELADBBJSA-N	320.433	3.346	10	20	DGCD	
Cc1cc(C)c(CNCc2cc(Br)ccc2O)cn1	397032879	YMGOFAXOABJGCW-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
O=C(Cc1cccc(F)c1)NCc1c(O)ccc2c1CCCC2	75160131	SBJDMALIXJSZBI-UHFFFAOYSA-N	313.372	3.269	10	20	DGCD	
OCCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	78415332	XCOFPSQMBRJELJ-HNNXBMFYSA-N	318.442	3.204	10	20	DGCD	
COc1ccc([C@H]2CCN(Cc3cccc(OC)c3O)C2)cc1	92783464	LTBOUXSJMKWPPG-HNNXBMFYSA-N	313.397	3.399	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc2[nH]ncc2c1	110057507	IOBUSTZCUNVWKO-UHFFFAOYSA-N	306.369	3.415	10	20	DGCD	
COC(C)(C)C[C@@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	174557415	FQCCEAFETANHRY-SECBINFHSA-N	316.785	3.247	10	20	DGCD	
CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1	178095501	PXSWNLOMTSHLBA-XJKSGUPXSA-N	305.466	3.097	10	20	DGCD	
COc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1OC	180761724	RBDGCNZBHMKEOL-UHFFFAOYSA-N	301.342	3.069	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(-n3ccnc3)cc2)c1	182417108	FZTWYPWNHCIAJL-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
CC[C@@H](C)NC(=O)CCN[C@@H](C)c1cc2c(cc1O)CCCC2	185155145	OHRKERBNBXGFNW-KGLIPLIRSA-N	318.461	3.226	10	20	DGCD	
C[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1O	185291179	WBLVVMCCNQXLQP-JTQLQIEISA-N	320.330	3.209	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)[C@H](c1ccccc1)N(C)C	185678858	VOVAQOYIVXMHTK-MGPUTAFESA-N	310.441	3.403	10	20	DGCD	
C[C@@H]1CC(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C[C@@H](C)C1	186391528	HFVWREOQTHAOKK-AVGNSLFASA-N	305.418	3.217	10	20	DGCD	
COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2ccc(F)cc2O)CC1	186776227	LWBSPINMLFKSGD-NEPJUHHUSA-N	324.396	3.049	10	20	DGCD	
CCN1CCC(CCN[C@@H](C)c2ccc(F)c(F)c2O)CC1	187736112	DEFHWJSQGGBNAS-LBPRGKRZSA-N	312.404	3.443	10	20	DGCD	
C[C@H](NCC[C@](C)(O)c1ccccc1)c1cc(F)ccc1O	187904683	KZCGWMMDDDTUOU-UGSOOPFHSA-N	303.377	3.480	10	20	DGCD	
Cc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1F	194002019	VGHPYRKZBBXZHJ-NSHDSACASA-N	318.348	3.298	10	20	DGCD	
Cc1cc(Br)cc(CN2CCO[C@H](C)[C@H]2C)c1O	245855381	NHSBITOGBUUBSP-GHMZBOCLSA-N	314.223	3.072	10	20	DGCD	
COc1cccc(CNCc2ccc(OCC3CC3)cc2)c1O	289374991	BPXSQCMIDLUILU-UHFFFAOYSA-N	313.397	3.479	10	20	DGCD	
COc1cc(O)c(CNC(C)(C)c2c(C)noc2C)cc1OC	289915017	VHCYYDUUADHYDQ-UHFFFAOYSA-N	320.389	3.039	10	20	DGCD	
Cc1cc(CN2CC[C@](CO)(c3ccccc3)C2)ccc1N(C)C	293580380	NQFCPOKJNFSWLX-NRFANRHFSA-N	324.468	3.197	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2CCN2C(=O)OC(C)(C)C)c1	724910981	BYQHSALYJMAOPV-ZIAGYGMSSA-N	320.433	3.361	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCc2cccc(Cl)c21	729652053	LVVSLDKYBJWYGH-SNAWJCMRSA-N	302.736	3.477	10	20	DGCD	
CC[C@@H](C)NC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1	749768635	ZOHGXJCAPDHIEU-CYBMUJFWSA-N	305.491	3.390	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](CO)c2ccccc2)c2c(O)ccc(F)c21	756584849	HDTJTWQPBFDWFW-BYCMXARLSA-N	301.361	3.403	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1Cl	757857929	TWCNBIWBIAXIMX-BETUJISGSA-N	324.852	3.289	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CC(=O)N1CCC[C@H](C)C1	766270924	WZGJCAXLEWATLO-HNNXBMFYSA-N	316.445	3.096	10	20	DGCD	
COc1cccc(O)c1CN1CCN(c2cccc(C)c2)CC1	768214772	PJACNDAIIGLLBI-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
CN(C)c1ccc(CN2CCCN(c3ccccc3)CC2)cc1	768999957	RQGWYPPOTLNMFZ-UHFFFAOYSA-N	309.457	3.465	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](F)c1ccccc1	769354703	NNAXHGJBUSLOIB-KRWDZBQOSA-N	300.377	3.422	10	20	DGCD	
CCOc1ccc(CN(C)Cc2ncc(CC)s2)c(O)c1	769523426	BEDSBSIGWUAFLG-UHFFFAOYSA-N	306.431	3.442	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3nccs3)cc2)CC1	770460814	MWSGVAQBTMQQDZ-UHFFFAOYSA-N	315.442	3.309	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCC[C@@H](C)C1	773748260	IPMWGGRSQVBHHR-RDBSUJKOSA-N	305.418	3.361	10	20	DGCD	
C[C@H](NC(=O)CCc1ccc(O)cc1)c1ccc(N(C)C)cc1	775403930	KLVXPCPVUZCQEY-AWEZNQCLSA-N	312.413	3.268	10	20	DGCD	
C[C@@H](NC(=O)C(C)(C)c1cccnc1)c1ccc(N(C)C)cc1	775411975	SUNQADNRGYMPSG-CQSZACIVSA-N	311.429	3.303	10	20	DGCD	
CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776250595	WBUNSRXRRUWJPP-OFQRWUPVSA-N	319.449	3.023	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H](F)Cc2ccccc2)cc1F	777970466	CGYBKMCVMTZMHH-INIZCTEOSA-N	318.367	3.089	10	20	DGCD	
CCc1ccccc1CC(=O)NCc1ccc(N(C)C)c(F)c1	785563616	OENAWVFENNZNGU-UHFFFAOYSA-N	314.404	3.313	10	20	DGCD	
C[C@H]1OCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H]1C	792822273	JNLWGFJDSIMINB-VXGBXAGGSA-N	316.367	3.381	10	20	DGCD	
C[C@H]1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	792956776	MJYHESWQYOXRBS-RDJZCZTQSA-N	313.445	3.298	10	20	DGCD	
C[C@@H](Nc1cccc2c1CCO2)c1cc([N+](=O)[O-])ccc1O	794836911	QERCAYXDMFARNJ-SNVBAGLBSA-N	300.314	3.408	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCc2ccc(C(N)=O)cc2)c1O	808673018	VTSBSQXPGFMNMB-NSHDSACASA-N	318.804	3.304	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CN(C3CC3)C[C@H]2C)c1O	808701821	JWKLOHAFBAEILM-BFQNTYOBSA-N	308.853	3.487	10	20	DGCD	
COCCOC[C@@H](C)N[C@H](C)c1cc(Cl)cc(C)c1O	808706194	FBTFCXRAGGLLBK-VXGBXAGGSA-N	301.814	3.056	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](F)C(F)(F)F	810247992	ZFQKXYRIQSQPTC-ZDUSSCGKSA-N	318.314	3.194	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCCN2C[C@H](C)O[C@H](C)C2)c(O)c1	815556475	WBJMNYLUBUNRJI-IXDOHACOSA-N	320.477	3.159	10	20	DGCD	
CC[C@@H](C)N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817923458	XUIJYFOUDAWTKO-LLVKDONJSA-N	303.431	3.187	10	20	DGCD	
Cc1ccc([C@@H](O)CNCc2ccc(N3CC=CC3)cc2)cc1	819094716	KMRYYVMAVRGOCK-FQEVSTJZSA-N	308.425	3.194	10	20	DGCD	
O[C@H](CNc1ccccc1OCCF)COc1ccc(F)cc1	819489408	UQYMKMFMBIWETE-CQSZACIVSA-N	323.339	3.026	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc(C(F)(F)F)n2)cc1	822226847	KFDFBSPGUIDJQV-UHFFFAOYSA-N	323.318	3.096	10	20	DGCD	
C[C@H](c1ccccc1)N(CC[S@@](C)=O)Cc1ccccc1O	828564196	NNOQTXXVHWDKCI-IVZQSRNASA-N	317.454	3.334	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H](C)c2ccn(C)n2)c1O	839190125	CTOBXFWZUZVSOD-SNVBAGLBSA-N	324.222	3.047	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cscc2Cl)cc1	841045190	JEUPGDZZGAFDQX-HNNXBMFYSA-N	309.866	3.257	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](C)[C@@H]1C	841580984	KAWSEXQXBLYZPB-OAGGEKHMSA-N	315.461	3.473	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](C)c2c(F)cncc2F)c1O	846173245	QAJRRMLJFGCBBL-ZJUUUORDSA-N	308.328	3.486	10	20	DGCD	
CCc1cccc(CNCc2ccc(OCC3CC3)nc2)c1O	848894316	ISZDAFOEFZCTNN-UHFFFAOYSA-N	312.413	3.428	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CCCC1	850567168	XTFSRFLECJPUHP-HNNXBMFYSA-N	302.462	3.316	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC=CCC2)c1	860646335	FWRQPQXLUKXAES-UHFFFAOYSA-N	308.381	3.309	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCOC2(CCC2)C1	889011354	RJKJMXAHAISBLP-HNNXBMFYSA-N	316.445	3.027	10	20	DGCD	
CCCO[C@@H]1CCCN(Cc2cc(C)cc(OC)c2O)CC1	894016340	BYSCDNOXSJLPPI-MRXNPFEDSA-N	307.434	3.490	10	20	DGCD	
Cc1nc(-c2ccnc(NCc3ccc(N(C)C)cc3C)c2)n[nH]1	902151675	WFHYOUPGOREZNS-UHFFFAOYSA-N	322.416	3.162	10	20	DGCD	
C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1	1324916587	WSUKORYZLVOFTG-LPHOPBHVSA-N	302.462	3.412	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@H]1C[C@@H](C)c3c(C)ccc(O)c31)C2	1325341365	VHKKEMWUOWGOBU-PVUWLOKVSA-N	323.440	3.494	10	20	DGCD	
CCNC(=O)C1(CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)CCC1	1326305217	JNNNJXDCTGQALG-ZIAGYGMSSA-N	316.445	3.145	10	20	DGCD	
CN(Cc1ccc(F)c(F)c1)c1ccc(OCC(=O)O)cc1	1598518553	LBBWERBZSGUAFG-UHFFFAOYSA-N	307.296	3.065	10	20	DGCD	
O=C(OCSc1ncc(C(=O)O)s1)OC1CCCCC1	1602615018	GANNMLOWJSEBRX-UHFFFAOYSA-N	317.388	3.377	10	20	DGCD	
Cc1ncccc1/C=C\C(=O)N1CCCc2cc(C(=O)O)ccc21	1605424251	CTHQETBMJMIMMU-CLFYSBASSA-N	322.364	3.081	10	20	DGCD	
O=C(O)c1cccc2nc(NCc3c(O)cccc3Cl)[nH]c12	1610849871	FGEBZQVSPNWADY-UHFFFAOYSA-N	317.732	3.232	10	20	DGCD	
CN(C)c1ccc(CN[C@H](C(=O)O)[C@H]2CCc3ccccc32)cc1	1777039631	BSIGSLHNALGMPC-OALUTQOASA-N	324.424	3.025	10	20	DGCD	
CC(C)(C)OC(=O)N1CCC(OCc2ccc(N)cc2)CC1	43830384	LTINXQVKSXNAHZ-UHFFFAOYSA-N	306.406	3.185	10	20	DGCD	
C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)C)cc2F)C[C@@H](C)O1	55530541	DGSGUJMEJYJETJ-BETUJISGSA-N	322.424	3.102	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cccc(F)c2C)c1O	81158228	IJNJGDPVXBARGV-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cn(C)nc1CC	91201765	ABWZRRSFAIJWBJ-UHFFFAOYSA-N	316.405	3.132	10	20	DGCD	
OCc1ccc(CN(Cc2ccccc2O)C2CCCC2)o1	93319288	OGAGTIOUNYJXMV-UHFFFAOYSA-N	301.386	3.422	10	20	DGCD	
COc1ccsc1C(=O)N(C)Cc1ccc(N(C)C)cc1	106011266	ZQYXKMASTGYXAN-UHFFFAOYSA-N	304.415	3.095	10	20	DGCD	
CN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1O	109771802	TXXRHAGRJDCPIW-UHFFFAOYSA-N	322.767	3.255	10	20	DGCD	
c1ccc([C@@H]2C[C@H]2CNCc2ccc(N3CCOCC3)cc2)cc1	111398442	VBJIAPVZUQVFJZ-FPOVZHCZSA-N	322.452	3.417	10	20	DGCD	
CN(Cc1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2	121294825	BAGHNRWKCGNCEN-UHFFFAOYSA-N	304.277	3.099	10	20	DGCD	
CC[C@H](O)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	124554364	AYWAZFHWTRVVHE-INIZCTEOSA-N	318.392	3.124	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	124833867	DXZLOSPUMDRPRB-QAPCUYQASA-N	313.445	3.441	10	20	DGCD	
COC(=O)c1cc(CN(C)c2ccc(OC)cc2OC)oc1C	131590570	WQNOIFAGGMJTKD-UHFFFAOYSA-N	319.357	3.028	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(F)cc(Br)c1	133755343	KEPSJRRWTUVJAC-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
Nc1ccc(CCNC(=O)c2csc3c2CCCC3)cc1	152523802	FZZOWZQUNGHOMG-UHFFFAOYSA-N	300.427	3.182	10	20	DGCD	
Cc1cc(C(=O)OC[C@H]2CC[C@H](C)O2)c(C)n1-c1ccccn1	159273170	KEKJNWBKQXLMDO-DZGCQCFKSA-N	314.385	3.213	10	20	DGCD	
Cc1cc(/C=C2/SC(=S)NC2=O)c(OC(F)F)cc1C	174052171	HFXBTPVKQOCYMC-BJMVGYQFSA-N	315.366	3.394	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCCN(C3CCCC3)CC2)c1	178893275	LIFDINRKRUEOCA-UHFFFAOYSA-N	302.462	3.459	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccnc(Cl)c1	181125900	GJUMAMDOUKTFBE-UHFFFAOYSA-N	303.793	3.200	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@H]2CCCC[C@@H]2C1	182516406	YXPOYPCNDYMSDO-KFWWJZLASA-N	303.402	3.321	10	20	DGCD	
C[C@H](NCCCCNC(=O)OC(C)(C)C)c1ccccc1O	183722824	YXKZJNWMUJTIRC-ZDUSSCGKSA-N	308.422	3.348	10	20	DGCD	
CCN1CCN(c2cccc(NC(=O)c3cccc(C)c3)c2)CC1	184268403	MGMRIZVPFFYNQL-UHFFFAOYSA-N	323.440	3.389	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC2CCN(C3CCCC3)CC2)c1	185649002	JACKRSQHVOGQIU-CQSZACIVSA-N	318.461	3.458	10	20	DGCD	
CCOc1cccc(CNC2(c3noc(C)n3)CCCC2)c1O	236890536	MTIADVRYJBOSCO-UHFFFAOYSA-N	317.389	3.041	10	20	DGCD	
CCCn1c(NC(=O)Cc2ccc(N)cc2)nc2ccccc21	237037278	AQXALYNVIYQSCF-UHFFFAOYSA-N	308.385	3.210	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1	237946410	PPIFSMMJTJJJRZ-ZBFHGGJFSA-N	316.351	3.009	10	20	DGCD	
O=C(c1cccnc1NCc1ccccc1O)N1CCCCC1	271569667	BNMHXZJCPPBEHJ-UHFFFAOYSA-N	311.385	3.025	10	20	DGCD	
CC[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccccc1O	274934488	RPLAWHRNYFZNHK-HUUCEWRRSA-N	307.340	3.445	10	20	DGCD	
COC[C@H](N[C@@H](C)c1ccc2ccccc2c1O)[C@@H]1CCCO1	278955718	ZTNVHKBYKCJZMY-KKXDTOCCSA-N	315.413	3.390	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccncc1F	282580018	VVVOXHIAJUPWNF-UHFFFAOYSA-N	302.349	3.369	10	20	DGCD	
CCCOc1ccc(CN2CCOC[C@H]2CC(F)F)c(O)c1	289800525	SKYJYHZRBNSZQM-CYBMUJFWSA-N	315.360	3.037	10	20	DGCD	
CC/C(C)=C/C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	297212532	SFXUJBASSXLGQT-UKYUDJEDSA-N	303.402	3.256	10	20	DGCD	
COc1cccc([C@H](C)NC(=O)N(C)Cc2ccccc2O)c1	298938097	HQOFVKMBQZRMPR-ZDUSSCGKSA-N	314.385	3.303	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1cccc(OC)c1	299682312	TXPSCEFZZNHAOJ-UHFFFAOYSA-N	313.397	3.382	10	20	DGCD	
CCn1cc(NC(=O)NCc2c(C)c3ccccc3n2C)cn1	348483283	YOHZEPZYMIILKR-UHFFFAOYSA-N	311.389	3.025	10	20	DGCD	
Cc1c(CNC(=O)c2occ3c2CCC3)n(C)c2ccccc12	355446344	YFKCCTKLRRZTNU-UHFFFAOYSA-N	308.381	3.498	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H](OCC3CC3)C2)c1	375298048	QQLZPSASNYVMTP-KRWDZBQOSA-N	305.418	3.182	10	20	DGCD	
Cc1c(CNC(=O)C[C@@H](O)CC(C)(C)C)n(C)c2ccccc12	487549834	HVPPVQRONODPRZ-CQSZACIVSA-N	316.445	3.290	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](C)Cc2ccccc2C)c(O)c1	529231301	ZTONQNGGWFQWJB-CQSZACIVSA-N	313.397	3.204	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2ncsc2c1	588406328	MQYJPFQMFYLDHG-KXFIGUGUSA-N	312.350	3.359	10	20	DGCD	
CCOc1ccccc1N(C)C(=O)c1cccc2c1CCNC2	662805851	NONGNADIGVKRMF-UHFFFAOYSA-N	310.397	3.008	10	20	DGCD	
CCC[C@@H](CNCc1cc(Cl)cc(OC)c1O)OCC	705354925	YVKBHLOLYLVFCD-ZDUSSCGKSA-N	301.814	3.349	10	20	DGCD	
Cc1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)c(C)c1	728083617	IKRUOHXPIGBAIH-UHFFFAOYSA-N	320.396	3.376	10	20	DGCD	
C[C@H](NCCCOCC(F)(F)F)c1cc(F)cc(F)c1O	756399716	FTPAFBCNYSOAHY-QMMMGPOBSA-N	313.266	3.290	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)c1cc(F)ccc1O	756586717	TXTYRWOYOQLUEI-BONVTDFDSA-N	301.365	3.358	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1	756661224	ZHISBLNFKOWEHD-GOEBONIOSA-N	316.445	3.142	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ccnc(C(C)(C)C)n1	762799780	AMBIKHVPHZSCCW-LLVKDONJSA-N	301.390	3.228	10	20	DGCD	
C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1ccccc1O	769686882	KFXXZXAAMXTIAA-QWHCGFSZSA-N	308.422	3.174	10	20	DGCD	
COc1cc(C)cc(CN2CCOCC3(CCCC3)C2)c1O	774655014	IIIAZIVMMNFLCS-UHFFFAOYSA-N	305.418	3.102	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNCCc1cnccn1	774832180	JZEDQQHHPVOWME-UHFFFAOYSA-N	305.381	3.182	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@H](O)c1ccc(F)cc1	775166843	BHUGBFFPRGPNJX-AWEZNQCLSA-N	313.731	3.147	10	20	DGCD	
C[C@H]1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CCO1	776342431	GPRNRJWSGKQXHA-DOTOQJQBSA-N	316.445	3.108	10	20	DGCD	
C[C@@H]1CCC[C@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1	783339248	BRZYAVAQGNGZHU-NEPJUHHUSA-N	306.358	3.040	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(O)c1	792777186	JTVWSBMDYUSACZ-QCQGSNGOSA-N	318.417	3.025	10	20	DGCD	
COCC(C)(C)NCc1ccc(N(C)C)cc1C(F)(F)F	792957118	PTTLQSXDSVDQOW-UHFFFAOYSA-N	304.356	3.286	10	20	DGCD	
CC[C@@H](N[C@@H](CO)c1ccccc1OC)c1ccc(C)cc1O	794812508	WSDYQUULWQFEKZ-SJORKVTESA-N	315.413	3.484	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(Cl)cc(F)c1N	798297778	IZBAXZMRAARNFV-UHFFFAOYSA-N	308.740	3.039	10	20	DGCD	
Cc1ccc(N2C(=O)/C(=C\c3cn(C)cn3)SC2=S)cc1	800791725	FDLYMFKCIVXZBU-NTUHNPAUSA-N	315.423	3.134	10	20	DGCD	
CCOc1ccc(CN2CCOC[C@H](C3CCC3)C2)c(O)c1	814178420	PFEQURBYZAFBTR-MRXNPFEDSA-N	305.418	3.039	10	20	DGCD	
Cc1cc(CN2CCC[C@H](c3ccnn3C)C2)ccc1N(C)C	815021816	UHSHBUDFUSJRKL-KRWDZBQOSA-N	312.461	3.174	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)c(O)c1	815571878	PEMQXWDXPRAWDY-QWHCGFSZSA-N	316.367	3.296	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	815632894	AYVKFNURSSGYLG-OBJOEFQTSA-N	322.424	3.222	10	20	DGCD	
Cc1nccnc1CCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	815651062	JCAPRSXHFWRGGE-HZMBPMFUSA-N	301.365	3.010	10	20	DGCD	
CC(C)c1ncc(Cl)c(C(=O)N[C@H](C)c2ccccc2O)n1	827930911	URTRQSFBXWUMNR-SNVBAGLBSA-N	319.792	3.450	10	20	DGCD	
Cc1c(N[C@H]2CCc3cccc(O)c32)cccc1N1CCNC1=O	834787465	MENZERCMOBZQLG-HNNXBMFYSA-N	323.396	3.330	10	20	DGCD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1	839468992	IGOJVUFAHGKQRH-ZWKOTPCHSA-N	324.424	3.181	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCc1ccoc1	839920194	NDWSYGJNFLWYSH-HNNXBMFYSA-N	314.429	3.334	10	20	DGCD	
Cc1cc([C@H](C)N[C@H](C)Cc2ccc(N(C)C)cc2C)n(C)n1	840895544	ZSPMJUNRYZYCSF-ZBFHGGJFSA-N	314.477	3.385	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(C)[C@@H]1CCCc2c1cnn2C	840918411	GKMSMHFHGBPZOP-GOSISDBHSA-N	312.461	3.304	10	20	DGCD	
Cc1ccccc1C[C@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	841041751	BHCCLTBHSFSHTQ-OXJNMPFZSA-N	311.473	3.282	10	20	DGCD	
CC[C@@H](C)[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841953945	GNLCUBVGAVXSMD-RHSMWYFYSA-N	303.450	3.422	10	20	DGCD	
Cc1ccc(CN(C)C(=O)NCCc2ccc(N)cc2)s1	841957780	VGNZAZJGAPYWRH-UHFFFAOYSA-N	303.431	3.023	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC([C@H]3CCCN3)CC2)cc1	843046399	UGACMGPWIRZCTQ-HXUWFJFHSA-N	315.505	3.497	10	20	DGCD	
Cc1c(CN2CCCc3cc(CN)ccc32)cccc1[N+](=O)[O-]	843350123	JIVWYSAUPNHFDS-UHFFFAOYSA-N	311.385	3.315	10	20	DGCD	
Cc1nn(C)c(Cl)c1CNCc1cc(Cl)ccc1O	846057838	KLNVLACSGVPLLP-UHFFFAOYSA-N	300.189	3.031	10	20	DGCD	
CCC(CC)(CO)C(=O)NCc1cc(Cl)cc(Cl)c1O	848079824	PNBMQBDWVHGNJH-UHFFFAOYSA-N	320.216	3.114	10	20	DGCD	
CCc1cccc(CNC2CCN(C(=O)C(C)(C)C)CC2)c1O	848895449	USWICOOHMFBCJU-UHFFFAOYSA-N	318.461	3.081	10	20	DGCD	
CC[C@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O	850557944	ORZLOYSSXWENSJ-HOCLYGCPSA-N	318.461	3.388	10	20	DGCD	
c1cc2nccnc2c(NCc2ccc(N3CCCC3)cc2)n1	856723397	QETHCHMATMFUKC-UHFFFAOYSA-N	305.385	3.237	10	20	DGCD	
COCC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccco1	868486995	NRKKZAQMSMAFHB-TZMCWYRMSA-N	318.373	3.123	10	20	DGCD	
Cc1cccc(O)c1CNCc1ccnc(N2CCCCC2)c1	877146156	PIQSYQJIKBDTKB-UHFFFAOYSA-N	311.429	3.376	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1c(O)cccc1F	886556938	NOHHCYSUANTGTP-GTNSWQLSSA-N	307.340	3.229	10	20	DGCD	
C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1c(O)cccc1F	886557314	YFJQYEMREVSERG-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
COc1ccc(CN[C@H]2CSc3ccccc32)c(O)c1OC	892992833	ZNMFTSHMAGWVSY-ZDUSSCGKSA-N	317.410	3.346	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](C)Cc2cccnc2)c1O	897969250	HRGQDNUHCUFWNC-LLVKDONJSA-N	306.793	3.170	10	20	DGCD	
CCN1C(=O)/C(=C/c2ccc(C(=O)OC)c(C)c2)SC1=S	899333693	RUIYBYSLHPPYLH-WQLSENKSSA-N	321.423	3.003	10	20	DGCD	
CCN1CCC[C@H](N[C@@H](C)c2cc(Cl)cc(C)c2O)C1=O	903389780	XFUPDQGOGNNIQX-FZMZJTMJSA-N	310.825	3.016	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccccn2)c(C)n1-c1ccccn1	919985806	KNANMJOSIWLACC-UHFFFAOYSA-N	320.396	3.156	10	20	DGCD	
C/C=C(\C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@@H]1C	986131445	DBTGGBXBCOKTKA-OEYYVUASSA-N	316.445	3.049	10	20	DGCD	
CS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1	1319082098	NKLXTTXZPMTQKP-HZPDHXFCSA-N	321.490	3.178	10	20	DGCD	
Cc1ccc([C@@H](C)NCCC(=O)N2CCC[C@@H](C)C2)c(O)c1C	1320132237	IYIXZYATUNYZMZ-CZUORRHYSA-N	318.461	3.308	10	20	DGCD	
Nc1ccc(CN2CCN(c3cccc4[nH]ccc34)CC2)cc1	1345159462	HAALOTOYBTVMNE-UHFFFAOYSA-N	306.413	3.072	10	20	DGCD	
Nc1ccc(OC(=O)CCc2ccc3c(c2)OC(F)(F)O3)cc1	1580449423	KSSRZKHNUUGUDO-UHFFFAOYSA-N	321.279	3.129	10	20	DGCD	
CCN1CCc2cc(/C=C\c3ncc(C(=O)O)s3)ccc21	1776876686	SJLXLRKCYSHJBJ-XQRVVYSFSA-N	300.383	3.394	10	20	DGCD	
Cc1noc(C)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1	70975947	VHFHHIVDCDEVJA-INIZCTEOSA-N	316.401	3.178	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)nc1)N1CCSc2ccncc21	90000641	PPJZBJUDVJHHDA-DUXPYHPUSA-N	317.801	3.282	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H]2CN2CCCCC2)c1	92219115	QEQSRXRCSYJQGF-KRWDZBQOSA-N	318.461	3.241	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cnc(Cl)c(C)c2)c1O	128257137	OYNZVFMHNHZBJR-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
O=C1/C(=C\c2ccccc2F)SC(=S)N1Cc1ccon1	130340360	PBDNWTMUIZDKAH-KPKJPENVSA-N	320.370	3.215	10	20	DGCD	
COc1ccc(CNCc2ccccc2O)cc1Br	134237349	WUZXSUBSCCJXNL-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC2(c3cccc(F)c3)CC2)c1	152860693	IKEJZADMHPKRBG-UHFFFAOYSA-N	302.305	3.218	10	20	DGCD	
COc1cc(Cl)cc(CNCC2CCSCC2)c1O	169087336	FACOQIISAAWDGT-UHFFFAOYSA-N	301.839	3.287	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)CCc2ccccc2)c1	182894616	NAOABWBHZXUEAA-ZBFHGGJFSA-N	315.413	3.045	10	20	DGCD	
C[C@H](NCCNC(=O)CC1CCCCC1)c1ccc(F)cc1O	186033062	LREHCPWRBBJUQL-ZDUSSCGKSA-N	322.424	3.269	10	20	DGCD	
CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	189410767	LCSPVNVMRFMKGY-DTWKUNHWSA-N	319.232	3.216	10	20	DGCD	
CCN(C(=O)c1cccc(O)c1O)[C@H](C)c1cccc(OC)c1	193094070	ADVJFHOGMRHLNZ-GFCCVEGCSA-N	315.369	3.330	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H](C)CNC(=O)OC(C)(C)C)c1	227686802	JZIKRHSPFKMVSO-STQMWFEESA-N	308.422	3.264	10	20	DGCD	
COc1cc(Br)cc(CN2CC[C@H](C)[C@@H]2C)c1O	246120488	KHKWTVBPNFIPAH-UWVGGRQHSA-N	314.223	3.394	10	20	DGCD	
C[C@@H](NC[C@@H](O)CCc1ccccc1)c1ccc(F)cc1O	273475444	SSCMWJKGXZCUKI-CJNGLKHVSA-N	303.377	3.176	10	20	DGCD	
COc1ccc(N2CCN(CCCC3CCOCC3)CC2)cc1	274640924	KAFCEIGEMBQBQW-UHFFFAOYSA-N	318.461	3.024	10	20	DGCD	
COC[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)[C@@H]1CCCO1	278838944	PKECFUCEGVMFMS-FMEYXAORSA-N	319.445	3.116	10	20	DGCD	
CC[C@H](NC[C@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1O	287102641	QDNWWZOOCFJJKL-CJNGLKHVSA-N	324.852	3.345	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@](CO)(c3ccccc3)C2)cc1C	291185426	FZTFUMBZENSKMN-FQEVSTJZSA-N	311.425	3.145	10	20	DGCD	
Oc1ccccc1CNC1(Cc2cccc(F)c2)CCOCC1	293014784	OJMISBSALYMEBC-UHFFFAOYSA-N	315.388	3.413	10	20	DGCD	
Oc1cccc2c1[C@H](NCCCc1nc3ccccc3[nH]1)CC2	296161357	XHYOWXBUHPZOQT-MRXNPFEDSA-N	307.397	3.478	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1noc(C2CC2)n1	299128017	YHKGMQUCIJTIFY-UHFFFAOYSA-N	314.433	3.424	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C3CC3)ccc21	343180356	XJBOUGQSZCOMAU-CYBMUJFWSA-N	314.429	3.433	10	20	DGCD	
C[C@@H](NC[C@@H]1OCCc2ccccc21)c1ccc(F)cc1O	371869689	JVXDHMHAIJTRGN-XIKOKIGWSA-N	301.361	3.496	10	20	DGCD	
CN1CCCc2cc(CNCc3ccc(C#N)c(F)c3)ccc21	404578493	VGKVWQBVMVYOAQ-UHFFFAOYSA-N	309.388	3.370	10	20	DGCD	
Oc1c(Br)cccc1CN1CCCC(F)(F)C1	404969295	YXPMJDJOYFYARW-UHFFFAOYSA-N	306.150	3.386	10	20	DGCD	
Cc1c(CNc2ccc3c(n2)CCC3=O)n(C)c2ccccc12	584521924	JYSLXKAVHIZMAJ-UHFFFAOYSA-N	305.381	3.623	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCc2sccc21	588479653	FBWGPLJCDLOJPO-SCXUMTSISA-N	315.394	3.366	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)CN[C@@H]1CCc2cccc(O)c21	697820963	AIWLRTJRLQUKGS-GXTWGEPZSA-N	320.433	3.130	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC2(c3ccc(F)cc3)CC2)c1	729685995	ZLXMBNQCLLVDDZ-UHFFFAOYSA-N	302.305	3.218	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1ncc[nH]1	732094161	JAXCSMQZRIAHRP-UHFFFAOYSA-N	314.414	3.151	10	20	DGCD	
CCCC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	738604381	AMWPETBDCHMGJK-UHFFFAOYSA-N	300.358	3.015	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1	739625673	QZPWJBZKHRRJDG-GBVBUYCNSA-N	302.330	3.071	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCSCC(C)C)c1	756775792	KLGKORZUNFXHNU-GFCCVEGCSA-N	311.447	3.219	10	20	DGCD	
COc1ccc(Cl)c(COC(=O)c2cccc(O)c2O)c1	758579267	FPAWTGFUGIPONC-UHFFFAOYSA-N	308.717	3.117	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(N(C)C)s1	768133755	MEGRLBUFFOEZHA-UHFFFAOYSA-N	318.490	3.297	10	20	DGCD	
Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)o1	773084287	NUCMQBFJMVVFBS-LBPRGKRZSA-N	322.430	3.002	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H](CO)CC(F)(F)F)cc1	773108303	WAGLRRNQTQIFOO-WCQYABFASA-N	304.356	3.107	10	20	DGCD	
COc1nc(Br)ccc1NCc1cc(C)ccc1O	788738117	VSFLLPUUUWMHGZ-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
COC1(CN(C)c2ccc(OCCN(C)C)cc2)CCCCC1	792175651	XHFBYLNMNNHTFM-UHFFFAOYSA-N	320.477	3.413	10	20	DGCD	
CCCN1CCC[C@H]1CNCc1ccc(OC)c(COCC)c1	796523285	XVWNGXQSMAHNLK-SFHVURJKSA-N	320.477	3.196	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C)CO[C@H]2CCOC2)c1O	808702513	YAOCAYZNDPDZHY-DYEKYZERSA-N	313.825	3.199	10	20	DGCD	
CCCN(CCN1CCCCCC1)Cc1cccc(OC)c1O	809787421	CMMPVQFIACJHQJ-UHFFFAOYSA-N	320.477	3.489	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)(C)[C@@H]1C1CC1	812047075	DQNZFEFKTFRAPY-KRWDZBQOSA-N	315.461	3.391	10	20	DGCD	
Cc1cc(CN2CCO[C@H](c3ccco3)C2)ccc1N(C)C	815060177	QAXVCNIDULKIRY-SFHVURJKSA-N	300.402	3.228	10	20	DGCD	
Oc1c(CNCCCOC2CCOCC2)ccc2ccccc12	816552393	KQFVFXPTVBOTOG-UHFFFAOYSA-N	315.413	3.221	10	20	DGCD	
OC[C@@H](CNCc1cc(Cl)cc(F)c1O)C1CCCCC1	816649535	BEABRDPSDXYXGM-CYBMUJFWSA-N	315.816	3.463	10	20	DGCD	
COC[C@@H](NCCc1ccc(N)cc1)c1cccc(Cl)c1	817958418	VNNCHUQFNUGCMD-QGZVFWFLSA-N	304.821	3.442	10	20	DGCD	
C[C@H](NC[C@H]1NCCc2ccccc21)c1cc(F)cc(F)c1O	817972953	ACDYAHKBPCIMKR-APPDUMDISA-N	318.367	3.208	10	20	DGCD	
Cc1ccc([C@@H](C)N2C(=O)CN(Cc3ccccc3O)C2=O)cc1	819165956	IOUKUXBBEDFUTN-CQSZACIVSA-N	324.380	3.226	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)C3CCC3)C2)cc1	819586531	ANANYYVWARXLAX-LSDHHAIUSA-N	316.445	3.074	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ncccc1F	822898236	LGAFPFPRARATSM-UHFFFAOYSA-N	315.392	3.338	10	20	DGCD	
Cc1cc(CN2CC[C@H](C)[C@H]2CO)ccc1N1CCCCC1	829121351	TXUSSRIJHDCEDQ-HNAYVOBHSA-N	302.462	3.188	10	20	DGCD	
CCCC1CCC(N(C)C(=O)C(=O)Nc2ccc(N)cc2)CC1	841116751	CLBOPRHZNIJRDR-UHFFFAOYSA-N	317.433	3.025	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C)c1O	846160271	NPJVSAGMACCBRU-WFASDCNBSA-N	323.433	3.418	10	20	DGCD	
O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1Sc1ncc(Cl)s1	850002130	UIRLCKUTYRVUBP-HLTSFMKQSA-N	302.852	3.336	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1cccnc1N1CCCC1)CC2	850499916	AHWSDRKVESHSBE-INIZCTEOSA-N	309.413	3.165	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1[nH]c(C)nc1C	857245825	VOEMQZXZDRFOQK-UHFFFAOYSA-N	301.390	3.175	10	20	DGCD	
CCC[C@H](CNC1CCN(c2ccc(OC)cc2)CC1)OCC	858210194	IOHUNEQGLZSVHM-LJQANCHMSA-N	320.477	3.459	10	20	DGCD	
CC[C@H](NCCN(C)CC(F)F)c1cccc(Cl)c1O	858596326	FCLRDIFMHHEUKC-LBPRGKRZSA-N	306.784	3.283	10	20	DGCD	
CO[C@@H](CNC(=O)NCc1cc(C)ccc1O)C1CCCCC1	858623576	WJYXRSLAEKZBAY-KRWDZBQOSA-N	320.433	3.095	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cnc3c(c2)CCCC3)c1	860905926	GXFBHTYEHBSFIE-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@H](c3cccnc3)C2)cc1F	862398290	DMQLHRFMMJIRAZ-AWEZNQCLSA-N	317.383	3.415	10	20	DGCD	
CC[C@@H](NCc1cc(Br)cc(F)c1O)C(F)F	883131520	GFDDQGQVRVFRPV-SECBINFHSA-N	312.129	3.427	10	20	DGCD	
CN(C)c1ccc(/C=C/CNCc2ccc(CC(=O)O)cc2)cc1	901541548	VFZVKBPVCNIIDG-ONEGZZNKSA-N	324.424	3.183	10	20	DGCD	
COC(=O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1	914139860	KRVUSJXZDQAZMB-UHFFFAOYSA-N	314.297	3.137	10	20	DGCD	
C/C=C(\C)C(=O)N1C[C@H](NCc2ccc(OC)c(C)c2)C[C@@H]1C	988512193	LMVGFRPNUYMBIO-YDWGSUHDSA-N	316.445	3.049	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C3=C(C)CCC3)CC2)cc1	1116420891	FCOJBCZRYPTNQL-UHFFFAOYSA-N	314.429	3.234	10	20	DGCD	
CCCNc1ccc(CNC(=O)NCc2ccc(N)cc2)cc1	1120617933	JPTKQZQXAVHPLY-UHFFFAOYSA-N	312.417	3.090	10	20	DGCD	
CC/C=C(/C)C(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1	1181378273	SVKJITGLNOTZCJ-JJKQHFEOSA-N	316.445	3.050	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21	1323829801	MXEHTCTUKBVMCP-OLZOCXBDSA-N	304.434	3.001	10	20	DGCD	
CN1CCN(c2ccc(CN3CCCC(C)(C)C3)cc2)CC1	1324394804	HIKXYORLHFCZBM-UHFFFAOYSA-N	301.478	3.060	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)CC(=O)OC(C)(C)C)c1O	1329674532	FQFOLONSAJZGCX-NEPJUHHUSA-N	309.406	3.172	10	20	DGCD	
CC(C)(CNC(=O)NCc1ccc(N)cc1)c1cccs1	1337015667	KWNYJCRTAKLVSG-UHFFFAOYSA-N	303.431	3.107	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(F)c(OC)c2)c1	1346197769	XWKPQARKKRNTHC-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
Cc1ccccc1[C@@H](N)C(=O)NCc1c(O)ccc2ccccc12	1579793673	LAORLHPJPQLPOP-LJQANCHMSA-N	320.392	3.170	10	20	DGCD	
O=C(O)c1ccc2c(c1)CN(Cc1cccc(Cl)c1O)C2	1602421357	BJBHNLUZSGSVAX-UHFFFAOYSA-N	303.745	3.260	10	20	DGCD	
CCN(CC)c1ccc(CNc2nc(COC)ns2)cc1	176819361	RQFXBLNEWXVONR-UHFFFAOYSA-N	306.435	3.143	10	20	DGCD	
C[C@@H]1[C@H](NCc2cc(F)ccc2O)CCN1Cc1ccccc1	309849990	ZTJAVIMYEJJSHB-RDTXWAMCSA-N	314.404	3.284	10	20	DGCD	
CCN(CC)[C@H](CNCc1cc(C)ccc1O)c1ccco1	113330263	WPNBKWYDSWHMQK-MRXNPFEDSA-N	302.418	3.466	10	20	DGCD	
Cc1cc(C)cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1	302954451	FFLQBLSYORDKRY-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2c(F)cccc2Cl)c1	114540729	IYUCUNYRZBVCPD-UHFFFAOYSA-N	323.751	3.052	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1nc2ccccc2n1C	120566236	GVEBIOXJEZMEKD-AWEZNQCLSA-N	308.429	3.490	10	20	DGCD	
Cc1ccc(NC(=O)NCCCSc2nccs2)nc1	184223303	BLYNWXQGYBXINJ-UHFFFAOYSA-N	308.432	3.150	10	20	DGCD	
CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccccc2O)cc1	183671533	NJWIYYZREKSAIO-ZDUSSCGKSA-N	319.426	3.037	10	20	DGCD	
CC[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1	180894609	BKJMGGLCTQJNSB-SLZMIMFISA-N	311.381	3.421	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(Cc2ccccc2)CC1	186279656	UCWBGPUIHMMAJI-VQHVLOKHSA-N	309.365	3.003	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](C)OC2CCCCCC2)c1O	131044089	WWNADGBXBFVPNM-CYBMUJFWSA-N	321.417	3.145	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2cnco2)c1	180953807	PKOOHLJFNZOCPW-FNORWQNLSA-N	322.320	3.405	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H](C)[C@H]1CCCNC1	236732424	UVBHPMRVJTXTIG-HOTGVXAUSA-N	318.461	3.157	10	20	DGCD	
COc1cc(C)nc(CNCc2c(C)c3ccccc3n2C)c1	355120236	JJMIAPBJFUJGGB-UHFFFAOYSA-N	309.413	3.489	10	20	DGCD	
CCOCC(C)(C)CNC1CCN(c2ccc(OC)cc2)CC1	368586696	YRFZAYFSKNLDDD-UHFFFAOYSA-N	320.477	3.316	10	20	DGCD	
COCCOCCCN[C@H](C)c1cc(Cl)c(Cl)cc1O	278163517	BWPYPBBZZXJLQA-SNVBAGLBSA-N	322.232	3.403	10	20	DGCD	
Cc1onc(-c2cccnc2)c1C(=O)N(C)c1ccc(F)cc1	375611418	KOBHNNJWOCMKJE-UHFFFAOYSA-N	311.316	3.461	10	20	DGCD	
Cc1cccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1O	271762243	FBGZHDQLBDKXAC-CVEARBPZSA-N	301.386	3.382	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2OCCc3ccccc32)c1	371546737	NZKZLFSYQPNCOK-DJJJIMSYSA-N	313.397	3.365	10	20	DGCD	
COC1CCN(c2ccc(CN3CCC(CF)CC3)cc2)CC1	295106460	HVPJOLPCHYSLSH-UHFFFAOYSA-N	320.452	3.483	10	20	DGCD	
C[C@@H](CCO)CNCc1ccc(N(C)Cc2cccs2)cc1	294918338	AOPYNBGMQIZGTP-HNNXBMFYSA-N	318.486	3.493	10	20	DGCD	
COc1ccc2c(c1)OCCN(Cc1cc(C)cc(C)c1O)C2	802744975	XFHRDUPVAVVLQL-UHFFFAOYSA-N	313.397	3.412	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(Cl)n1	299664356	MGFANXULFAIKST-UHFFFAOYSA-N	317.820	3.463	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCc1cnn(-c3ccccc3)c1)CC2	296042740	QSWYSDBOAPYKJU-SFHVURJKSA-N	319.408	3.398	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@@H](n2ccnc2)C1	816501756	AAHLOPYOIDSXCR-GFCCVEGCSA-N	309.772	3.218	10	20	DGCD	
C[C@H](N[C@H]1CCN[C@H](C)C1)c1cccc(C(F)(F)F)c1O	817970895	GVZLGZJOHYTVPK-VWYCJHECSA-N	302.340	3.202	10	20	DGCD	
Cc1cc(CN2CCCC[C@@H]2CO)ccc1N1CCCCC1	827411221	MYGQADDFRYRTKA-GOSISDBHSA-N	302.462	3.332	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C\c2cnccc2C)cn1	823431154	WJJVTSHAAMIKLL-SREVYHEPSA-N	312.417	3.309	10	20	DGCD	
Cc1ccc([C@H](NCc2ccc(N(C)C)cc2)C(=O)O)cc1C	901850684	NSOPWBMDRYLZCQ-SFHVURJKSA-N	312.413	3.285	10	20	DGCD	
CCOc1ccc(O)c(CN2Cc3ccc(C(=O)O)cc3C2)c1	833662600	HCUDRRUJZYZYHF-UHFFFAOYSA-N	313.353	3.005	10	20	DGCD	
Cc1cccc([C@@H](O)CNCc2ccc(N3CC=CC3)cc2)c1	905139822	YFSARSMPQSFMTI-FQEVSTJZSA-N	308.425	3.194	10	20	DGCD	
O=C(CCc1ccccc1)NCCCSc1nccs1	733884005	JQMZXLZATLAJSN-UHFFFAOYSA-N	306.456	3.374	10	20	DGCD	
CC[C@H](O)[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	900029234	SZPCXBWEBTUIHF-QAPCUYQASA-N	318.461	3.042	10	20	DGCD	
CCOC(=O)N[C@@H](CN[C@H]1CCc2cccc(O)c21)CC(C)C	834501995	LRVDSDWYFJKDIA-CABCVRRESA-N	320.433	3.130	10	20	DGCD	
COc1ccc(NC(=S)NNc2c(F)cccc2F)cc1	735627949	ZRVWZVWPKMIZPV-UHFFFAOYSA-N	309.341	3.287	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)C(=O)OC(C)(C)C)cc1	733334676	PRRHQMXEWKXQJL-AWEZNQCLSA-N	306.450	3.353	10	20	DGCD	
C[C@@H]1CC2(CCOCC2)CN1Cc1c(O)ccc2ccncc12	842638212	XNFYKXBTNUNBPL-CQSZACIVSA-N	312.413	3.331	10	20	DGCD	
CC[C@H](N[C@@H](CO)CCF)c1cc(Cl)cc(Cl)c1O	846209672	RYPLDODPZRCIEJ-SKDRFNHKSA-N	310.196	3.460	10	20	DGCD	
CCc1cccc(CNCCc2nn(C)c3ccccc23)c1O	848903980	HVJRNXMMNXYEEA-UHFFFAOYSA-N	309.413	3.174	10	20	DGCD	
Cc1noc(CN(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)n1	848354231	QEMKWGFPOYJVRK-UHFFFAOYSA-N	324.384	3.058	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCO[C@]3(CCSC3)C2)c1O	848898404	BTBCOUOEEMRLIW-NVXWUHKLSA-N	307.459	3.099	10	20	DGCD	
COc1ccc(N(Cc2cc3n(n2)CCC3)C(C)C)cc1F	844305516	CSLWRRWIUSGYHF-UHFFFAOYSA-N	303.381	3.392	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cccc(N2CCNC2=O)c1	840908664	WIGKWVNYSBRKHT-UHFFFAOYSA-N	324.428	3.203	10	20	DGCD	
CC[C@@H](C)Oc1cc(/C=C2\SC(=S)NC2=O)ccc1OC	749452932	QMZOPILILVUZPV-PGEKAQRJSA-N	323.439	3.361	10	20	DGCD	
CCC(CC)(CO)C(=O)NCc1ccc(N2CCCCC2)cc1	847399319	AZXVWRNZRBMUFB-UHFFFAOYSA-N	318.461	3.092	10	20	DGCD	
C[C@H]1C[C@H](NCCc2ccc(N)cc2)CCN1Cc1ccccc1	841037179	YYBGEDFZLWCHNS-LAUBAEHRSA-N	323.484	3.454	10	20	DGCD	
COc1ccc(NC(=S)NCc2ccc(C)c(C)n2)cc1F	840843156	BUPMPGWVCKBUTF-UHFFFAOYSA-N	319.405	3.333	10	20	DGCD	
COc1ccc(O)c(CNC2CCN(CCC(C)C)CC2)c1	925417014	YYDQAYWXBWVXQX-UHFFFAOYSA-N	306.450	3.001	10	20	DGCD	
CCOc1ccc(CNCc2csc([C@@H](C)OC)n2)c(O)c1	752265510	JCOQEGRGGLEUHV-LLVKDONJSA-N	322.430	3.245	10	20	DGCD	
C[C@H](N[C@H](CO)[C@H](C)c1ccccc1)c1cc(F)ccc1O	756712043	PDXRXTFFAZHRRL-IIYDPXPESA-N	303.377	3.347	10	20	DGCD	
CCOc1ccc(N(C)Cc2ccc(-n3ccnc3)nc2)cc1	750047798	RCOMMMQIEVBLDW-UHFFFAOYSA-N	308.385	3.302	10	20	DGCD	
COc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1	858086906	PNDNIEJMRKDVAX-UHFFFAOYSA-N	306.356	3.329	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2cnns2)cc1	755335624	LLNVGCYEIMPZIP-UHFFFAOYSA-N	319.434	3.048	10	20	DGCD	
C[C@H](COCC(F)(F)F)N[C@H](C)c1cc(F)cc(F)c1O	756488221	MAVWFVFMIUOPOY-HTQZYQBOSA-N	313.266	3.288	10	20	DGCD	
COC(=O)C1=C(C)O[C@H](CSc2ncc(Cl)s2)C1	850000120	JUEZLYPCBFBEJX-ZETCQYMHSA-N	305.808	3.125	10	20	DGCD	
Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])s1	853473029	JRSBVSJGWMSTGC-QMMMGPOBSA-N	308.359	3.419	10	20	DGCD	
COc1cc(CNC[C@](C)(O)C(C)C)c(O)c(C(C)(C)C)c1	850133723	KFFDYVVHPBVNMW-SFHVURJKSA-N	309.450	3.195	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn(C(F)F)c1	866598404	BTPRVLFPUBLMSM-UHFFFAOYSA-N	309.316	3.036	10	20	DGCD	
CCC[C@]1(C)CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768466508	QWYRYNFBRUWEIA-SJLPKXTDSA-N	305.418	3.220	10	20	DGCD	
C[C@H](Cc1cccs1)NC(=O)N[C@H](C)c1ccccc1O	868045283	WGUJVOXPPPTBNO-VXGBXAGGSA-N	304.415	3.445	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2C=CCC2)cc1	862172711	GTGWSXWDNBUBBZ-GOSISDBHSA-N	322.408	3.284	10	20	DGCD	
CN(C)c1ccc(CNc2nnc([C@H]3CCCO3)s2)cc1F	865295700	KPVFKHGGMHMIES-CYBMUJFWSA-N	322.409	3.207	10	20	DGCD	
Cc1cnc(C2CCN(C(=O)c3cc(O)cs3)CC2)s1	762918602	IBZVMWNPBRBWKH-UHFFFAOYSA-N	308.428	3.238	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC2(O)CCCC2)cc1F	769446809	BPUHLIHMWSUOMY-UHFFFAOYSA-N	308.441	3.409	10	20	DGCD	
CCOC(=O)C1CCC(NCc2cc(OCC)ccc2O)CC1	877717679	PDPBTDVWVKTFPE-UHFFFAOYSA-N	321.417	3.002	10	20	DGCD	
CCOc1cccc(CN[C@H](CC)[C@@H](O)c2ccccc2)c1O	873193810	ONIRJUYPATVGIR-AEFFLSMTSA-N	315.413	3.393	10	20	DGCD	
COC(=O)c1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1	775837505	UBCNOEHRQOWJNX-LBPRGKRZSA-N	318.442	3.452	10	20	DGCD	
CC(C)Nc1ccccc1NCC(=O)NCc1ccccc1F	871846940	HNYUVWRGHOPJOI-UHFFFAOYSA-N	315.392	3.374	10	20	DGCD	
C[C@H](COc1ccccc1)NC(=O)N[C@H](C)c1ccccc1O	875125521	PJRYFJDQAHSUIB-ZIAGYGMSSA-N	314.385	3.220	10	20	DGCD	
CC(C)(C)[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F	775982020	XKCAFBSLLVMCKW-NSHDSACASA-N	304.312	3.168	10	20	DGCD	
COc1ccc(O)c(CN2C[C@H](C)Oc3ccc(OC)cc32)c1	776522403	ANUHAGJORIWHOA-LBPRGKRZSA-N	315.369	3.197	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2c(C)cccc2O)C1	876658288	RRQAOKASFWLAEY-JKSUJKDBSA-N	318.461	3.217	10	20	DGCD	
COc1ccc(OC(C)(C)C(=O)N(C)c2ccc(N)cc2)cc1	877074261	FBJKSFRUAJQFPZ-UHFFFAOYSA-N	314.385	3.098	10	20	DGCD	
CC[C@H](NC[C@H]1C[C@H](N)C1)c1ccc(C(F)(F)F)cc1O	873255943	KWGSCKACCPAQTI-GAFUQQFSSA-N	302.340	3.189	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O	773262206	OIZHEZOGFOTEFZ-HOTGVXAUSA-N	319.445	3.348	10	20	DGCD	
Nc1ccc(OCc2cn([C@@H]3CCCc4ccccc43)nn2)cc1	881213792	HXPYCOBYTLIXKW-LJQANCHMSA-N	320.396	3.365	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@H]3CC[C@H](C)C3)CC2)cc1	776308197	HFCCSSWVPQNOBP-HOTGVXAUSA-N	316.445	3.170	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C(=O)OC)[C@@H]2C)cc1F	787420451	HGQURIYVOLZGKA-DZGCQCFKSA-N	322.424	3.055	10	20	DGCD	
Cc1cccc(C[C@@H](CO)NCc2c(O)cccc2Cl)c1	786165781	YGXPTCFIGCAXSI-AWEZNQCLSA-N	305.805	3.047	10	20	DGCD	
CCCN(Cc1ccc2oc(=O)oc2c1)c1ccc(CN)cc1	894570318	VJKCSDIHBMQYBI-UHFFFAOYSA-N	312.369	3.261	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCO[C@H](CC(C)C)C2)c1O	894375396	KGRLFYJZQDNBOH-HZPDHXFCSA-N	307.434	3.393	10	20	DGCD	
COc1ccc(CN(Cc2ccccn2)C(C)C)c(O)c1OC	891743465	DONQNERLXJPXJR-UHFFFAOYSA-N	316.401	3.215	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)C[C@H]2CCCOC2)C2CC2)cc1	792985988	OJCCXJOYGRAUIF-MRXNPFEDSA-N	316.445	3.060	10	20	DGCD	
C[C@H]1CCCN([C@H](C)CNCc2c(O)ccc(Cl)c2F)C1	790948012	CXXROVPITFBOCN-NWDGAFQWSA-N	314.832	3.395	10	20	DGCD	
CCOC(=O)C1(CNCc2cc(OCC)ccc2O)CCCC1	792194904	IPMOHVWKUMLYRT-UHFFFAOYSA-N	321.417	3.004	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCOc1ccccc1F	790946451	BOFIHMYFVOPJDS-UHFFFAOYSA-N	313.731	3.492	10	20	DGCD	
CC[C@H](NC1CCN(C(=O)C2CC2)CC1)c1ccc(C)cc1O	794797866	QNCIAEFSXDGYHU-KRWDZBQOSA-N	316.445	3.142	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2[nH]ccc2C)cc1F	797867685	RFDLKUAMBJPNNH-UHFFFAOYSA-N	303.381	3.238	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(C)c(C)c2)c(O)c1	794760601	TWQAHGUQLDVEDB-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
COc1ccc(CNCCCNC(=O)C2(C(C)C)CC2)cc1C	1166270409	SIAZQZLKQSULJE-UHFFFAOYSA-N	318.461	3.036	10	20	DGCD	
C[C@@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O	397773033	VZNSGOUIQUBDIP-LLVKDONJSA-N	324.396	3.049	10	20	DGCD	
COc1ccccc1C1(C(=O)NCc2ccccc2O)CCC1	1322290180	ARSPATXRWNXEAU-UHFFFAOYSA-N	311.381	3.139	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC2(CCC2)O1	1328505353	ZNVLIUQNLXTXNK-INIZCTEOSA-N	300.446	3.430	10	20	DGCD	
C[C@@H](c1ccco1)N(C)c1nnc(-c2sccc2O)n1C	1338748357	AUMRUIOTZUZTEY-VIFPVBQESA-N	304.375	3.040	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1F	1331496873	DAFMVCJAYJGWEA-VMGRFDJRSA-N	310.388	3.078	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cnc(C)s2)c(O)c1OC	1335549883	HCZJGPDWEFTCDB-VIFPVBQESA-N	308.403	3.025	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCOC[C@@H]1CCOC1	1254720838	AIXNCQVHKPZDGG-OWCLPIDISA-N	319.445	3.282	10	20	DGCD	
C[C@@H](NCC1(c2ccccc2)CC1)c1cc(C(=O)O)ccc1O	1604337204	LUNBTBUDUIRSNL-CYBMUJFWSA-N	311.381	3.473	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@H](C(C)(C)C)C1)c1cc(C(=O)O)ccc1O	1593230045	BFEUYJSZAGBQHV-GHJWDPDVSA-N	321.417	3.335	10	20	DGCD	
Cc1ccc(/C=C\C(=O)N2CCCc3cc(C(=O)O)ccc32)cn1	1594354079	MFQUTEAKBCDFOJ-TWGQIWQCSA-N	322.364	3.081	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(C(=O)O)CC[C@H](C)C2)c(C)c1	1776856774	KSEBPTKWPYJLQX-SCLBCKFNSA-N	304.434	3.184	10	20	DGCD	
CC[C@@H](SC)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	153461599	RSSSCSWJIIRZNZ-GDBMZVCRSA-N	323.458	3.041	10	20	DGCD	
CCOC[C@@H]1CCN(Cc2ccc(Br)cc2O)C1	708270679	LOFWTUYCJABOGW-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
Cc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c(C)n1	176742179	CLBUMKJRPNKXDH-UHFFFAOYSA-N	324.428	3.403	10	20	DGCD	
CC1(C)[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@@H]21	175639391	YLNVZGOISKDXKZ-IRXDYDNUSA-N	313.445	3.084	10	20	DGCD	
C[C@H](NC[C@@H](c1ccccc1)N(C)C)c1cc(F)ccc1O	176980938	GQEFORNBWIUFFB-GUYCJALGSA-N	302.393	3.485	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCSC[C@@H]2c2cnn(C)c2)c1	189878954	XKJALPZGFKRRME-MRXNPFEDSA-N	317.458	3.033	10	20	DGCD	
Cc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)nc1	121044976	MPTHIIFUJGKZRW-GOSISDBHSA-N	312.413	3.277	10	20	DGCD	
CCN(Cc1cccs1)C(=O)/C=C/c1ccc(O)c(O)c1	180627001	JKJFTMFOMNSNPY-SOFGYWHQSA-N	303.383	3.221	10	20	DGCD	
CC[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	122840386	RSBAVBBDWMEUEB-AWEZNQCLSA-N	301.434	3.011	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCc1cccc(N(C)C)c1	189149153	CYOKXJMJSWCOBQ-UHFFFAOYSA-N	312.413	3.049	10	20	DGCD	
CCOc1cccc(CNc2ccc(C(=O)NC)cc2C)c1O	320057824	UEDPNVVNDSAWGE-UHFFFAOYSA-N	314.385	3.071	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](C)CN2CCCCC2)c1	194190373	ACCLFSRANQPSLA-CABCVRRESA-N	306.450	3.173	10	20	DGCD	
CCNC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1	268303956	OVNBSUMYBQCXIZ-OAHLLOKOSA-N	312.413	3.092	10	20	DGCD	
CC(C)(C)c1nnc(CNCc2c(O)cccc2Cl)s1	268219443	QVPCJEJWMRERKX-UHFFFAOYSA-N	311.838	3.484	10	20	DGCD	
CCN(Cc1ccc(-n2ccnc2)nc1)c1ccc(OC)cc1	363315892	ATQATOBIWIITSV-UHFFFAOYSA-N	308.385	3.302	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc(C2CCC2)cs1	277912972	GYTXPGKSLJDBII-FNORWQNLSA-N	316.382	3.474	10	20	DGCD	
CCNC(=O)OC[C@H]1CCCCN1Cc1cc(C)c(C)cc1O	809692152	XZBUVUCSEATNQR-MRXNPFEDSA-N	320.433	3.110	10	20	DGCD	
Cc1nnc(CCN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)s1	391840696	MJFFFUAWNGVZLU-CMPLNLGQSA-N	303.431	3.241	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCC[C@H]1N	296781860	LVVURSAKDYQCHH-GDBMZVCRSA-N	304.434	3.038	10	20	DGCD	
CC[C@H](NCC1(SC)CCN(C)CC1)c1ccccc1O	810252338	BXLOXUFBBHEHPQ-HNNXBMFYSA-N	308.491	3.260	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCNC2CCCCCC2)c1	817961272	ZWCQQYSAGRBVJM-CQSZACIVSA-N	306.450	3.364	10	20	DGCD	
CN(CCNCc1ccc2ccccc2c1O)CC(F)(F)F	816549677	VMFZLMANKDAKIG-UHFFFAOYSA-N	312.335	3.129	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](O)CNCCCSc1nccs1	819064235	UUPDTJMYMHUHJF-DZGCQCFKSA-N	322.499	3.380	10	20	DGCD	
CCOc1ccccc1OCC(=O)N[C@H](C)c1ccccc1O	827918513	WUFXNBWFZYQKPM-CYBMUJFWSA-N	315.369	3.047	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@](C)(O)c2cccc(F)c2)c1	903308032	GITNIGJPWXEZJR-FZKQIMNGSA-N	303.377	3.398	10	20	DGCD	
O=C(O)[C@@H]1CCC[C@@H]1NCc1cc(-c2ccccc2)ccc1O	904268947	OFKFFPMTVMDASK-SJORKVTESA-N	311.381	3.402	10	20	DGCD	
C[C@@H]1CCCN(C(C)(C)CN[C@@H]2CCc3cccc(O)c32)C1	834531452	ZMIQSRMYNUBNFZ-GDBMZVCRSA-N	302.462	3.480	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C2CC2)cc1	831931004	LGYPMXAXODQZFL-GFCCVEGCSA-N	311.381	3.336	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC2(CC1)CC2	831924148	CQLCAOXHABYZEC-LBPRGKRZSA-N	303.402	3.115	10	20	DGCD	
Cc1cc(C(=O)CSCCO)c(C)n1-c1cccc(F)c1	747836681	DSKKDYNOEIIDOF-UHFFFAOYSA-N	307.390	3.141	10	20	DGCD	
COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(O)cs1	748362423	FSLODMXZKVBSGO-LLVKDONJSA-N	305.399	3.166	10	20	DGCD	
CC(C)(C)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	840148809	ANTOCHDWFMQVFW-LRDDRELGSA-N	305.418	3.076	10	20	DGCD	
C[C@@H](NC[C@@H](CO)c1ccccc1)c1ccc(Cl)cc1O	841758431	MBQQTQOOSGNIBJ-OCCSQVGLSA-N	305.805	3.472	10	20	DGCD	
COCCN(Cc1cc(C(C)(C)C)cc(O)c1O)CC(C)C	914783519	NFLIRZMKQOAMIN-UHFFFAOYSA-N	309.450	3.500	10	20	DGCD	
COC1([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCC1	840970007	OBYLWNBVWUMHDX-VIFPVBQESA-N	314.769	3.001	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1nc(C(F)(F)F)cs1	748326078	YJJXBQVUEGJMIO-UHFFFAOYSA-N	317.292	3.189	10	20	DGCD	
CCc1cccc(CNCc2cccnc2OCC(F)F)c1O	848900520	NEBHMWGYGLREIN-UHFFFAOYSA-N	322.355	3.283	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(CO)cc2)c2c(O)ccc(F)c21	842894847	IRCKGJAZZSZERU-IAQYHMDHSA-N	301.361	3.362	10	20	DGCD	
CCC/C(C)=C\C(=O)N1CCCN(c2ccc(OC)cc2)CC1	920222810	ZFWRXHPQDIQNIX-NXVVXOECSA-N	316.445	3.480	10	20	DGCD	
CCc1cccc(CNc2ccc(OCCCO)cc2)c1O	848911776	ZCKAXKZRTDQKQH-UHFFFAOYSA-N	301.386	3.328	10	20	DGCD	
C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)cc1O	756833379	ZDULENFMIGTOOO-LLVKDONJSA-N	323.389	3.249	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)c(C)nn1	758241758	FJCRJBNOOOUVDX-UHFFFAOYSA-N	314.389	3.243	10	20	DGCD	
C[C@H](NCCO[C@@H]1CCOC1)c1ccc2ccccc2c1O	927081670	VFOHQYWAJZINKO-DZGCQCFKSA-N	301.386	3.002	10	20	DGCD	
C[C@@H](CN1CCC[C@@H](C)C1)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756459355	NUBAJRJCQPNBQC-HZSPNIEDSA-N	321.421	3.071	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@@]2(C)C(=O)O)cc1F	756390280	TZPAZKZSFXQVBE-SJLPKXTDSA-N	322.424	3.405	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc([S@](C)=O)cc2)cc1C	751151891	HULMTVKGVPQETB-NRFANRHFSA-N	303.427	3.036	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1	866462897	CPUUAHXZFJNOOS-SWHYSGLUSA-N	305.340	3.299	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)c1ccc(C)o1	935949419	ZLTWVNAREVECFK-LBPRGKRZSA-N	308.374	3.199	10	20	DGCD	
CN(C)c1cc(F)c(CN2Cc3ccc(O)cc3C2)cc1F	862452808	ZRITZAYHXNLDAV-UHFFFAOYSA-N	304.340	3.252	10	20	DGCD	
CCSc1ccccc1C(=O)N1CCS[C@H]2COCC[C@H]21	769343917	MBVHIGSHVFPAED-HIFRSBDPSA-N	323.483	3.145	10	20	DGCD	
Cc1cc(CNC(=O)/C=C/[C@@H]2CCOC2)c(C)n1-c1ccccc1	863163640	LCHHEVUSHABYTK-KBOKABMXSA-N	324.424	3.303	10	20	DGCD	
CCC[C@]1(CO)CCN(Cc2cc(F)c(N(C)C)cc2F)C1	862371429	IWPAECBSOPKVEX-KRWDZBQOSA-N	312.404	3.015	10	20	DGCD	
CCCOc1ccc(CNCc2ncnn2C(C)(C)C)cc1C	873121079	CHYKXJQKGPEVTF-UHFFFAOYSA-N	316.449	3.420	10	20	DGCD	
C[C@@H](NCCC(C)(C)O)c1cc(Br)cc(F)c1O	775586567	SIKISIHIEMHPJG-MRVPVSSYSA-N	320.202	3.105	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1	773016273	AQJZAEZRZUDQSY-RDTXWAMCSA-N	324.424	3.496	10	20	DGCD	
Cc1cccc2c1C(=O)N[C@H](c1cc(Cl)c(F)cc1O)N2	877848598	TYOKDPBDQIDAIB-CQSZACIVSA-N	306.724	3.347	10	20	DGCD	
CCN(C)c1ccc(CN(C)Cc2nccn2C(F)F)cc1	773732824	SXJHKQSJSKWASA-UHFFFAOYSA-N	308.376	3.366	10	20	DGCD	
CC[C@H](NC1CCN(C(C)=O)CC1)c1cc(Cl)ccc1O	775484802	JFBHAGIUZYQMAZ-HNNXBMFYSA-N	310.825	3.097	10	20	DGCD	
CS[C@H](C)CCC(=O)NCc1ccc2c(c1)CCCN2C	773291900	HPRKHXXPJVXLQL-CYBMUJFWSA-N	306.475	3.217	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCN(Cc2ccco2)CC1	775644475	IOXDRKVBLSMVSC-UHFFFAOYSA-N	324.783	3.096	10	20	DGCD	
CC(C)[C@H](NCc1cc(F)cc(F)c1O)c1nc(C2CC2)no1	882997571	VIVQSJUJVUWWJP-ZDUSSCGKSA-N	323.343	3.418	10	20	DGCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCOC1	780713249	BJTIOAKPKQXCDL-RDJZCZTQSA-N	320.502	3.145	10	20	DGCD	
CCCCn1cc(CNCc2cc(C)cc(OC)c2O)c(C)n1	894373351	SVSZLEGIJMYODY-UHFFFAOYSA-N	317.433	3.304	10	20	DGCD	
CC[C@H](CCO)NCc1ccc(N(C)C)cc1C(F)(F)F	792993614	YJULYFXJWOYDFL-GFCCVEGCSA-N	304.356	3.022	10	20	DGCD	
Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cc(O)cs1	799104142	UVAIXMKWELVQQE-UHFFFAOYSA-N	313.382	3.415	10	20	DGCD	
CC[C@@H](CC(C)C)C(=O)NCCNCc1ccc(OC)c(C)c1	1147037823	GDZRKJCXQMCDBG-KRWDZBQOSA-N	320.477	3.282	10	20	DGCD	
CCOC(=O)[C@H](NCc1ccc(N2CCCCC2)cc1)C1CC1	1320793820	YUECWSLWVRKALS-GOSISDBHSA-N	316.445	3.108	10	20	DGCD	
OCCc1ccc(CNCc2ccc(N3CCCC3)cc2)cc1	1336874157	PQZWCZDJPHZXNZ-UHFFFAOYSA-N	310.441	3.111	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C	1261667200	OVOCPCSNNCQDIW-CQSZACIVSA-N	304.434	3.107	10	20	DGCD	
C[C@@]1(NCc2cc(Cl)c(F)cc2O)CCCC[C@@H]1C(=O)O	1609823237	IAFZLOCVZZNKPZ-MEBBXXQBSA-N	315.772	3.308	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc3[nH]ccc3c2)cc1	1578424776	VGNTZLWHAZDCJK-SFHVURJKSA-N	308.429	3.024	10	20	DGCD	
CN(Cc1ccc(N)cc1)Cc1nc(-c2cccs2)no1	1578489661	FBRDVLUMUFSOJI-UHFFFAOYSA-N	300.387	3.012	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1776483091	QJBZNWVDNNXRCV-ZUZCIYMTSA-N	321.323	3.017	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)cc1C	1776821424	NOCXDMNLDAZCMI-VVLHAWIVSA-N	317.429	3.373	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC2CCN(C3CC3)CC2)cc1	119660018	GVDLYTHQAFXURI-OAHLLOKOSA-N	301.478	3.420	10	20	DGCD	
C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccccc1O	179875905	UPVRHBPJCOKQQU-LLVKDONJSA-N	304.777	3.335	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCc2cccc(Cl)c2)c1	114541164	ZYTXFIGJPMPYGC-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
COc1ccc(C)cc1[C@H](C)NCc1cc([N+](=O)[O-])ccc1O	120100854	FWYKHGVEVPRXNV-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
CCOc1cc(C)ccc1NC(=O)c1ccc(C)c(O)c1O	182138526	LBQAEMCAIYFMGK-UHFFFAOYSA-N	301.342	3.366	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2ccccc12	186400567	AIJGQXSSKGWBNU-LBPRGKRZSA-N	322.364	3.007	10	20	DGCD	
CCCN(CC(=O)NCCC(C)(C)C)Cc1ccccc1O	75829112	PWRHYMAAABMYQT-UHFFFAOYSA-N	306.450	3.157	10	20	DGCD	
C[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2cccc(F)c2O1	185605403	YOWCZKLZISCYBC-QRGHLMKCSA-N	316.307	3.187	10	20	DGCD	
CCSc1cc(CNCc2cccc(OC)c2O)ccn1	189590501	BZGGFQKCVMVEST-UHFFFAOYSA-N	304.415	3.198	10	20	DGCD	
COc1cc(O)c(CNC(C)(C)c2ncc(C)s2)cc1OC	182552942	YRBCBYBHRRQBAX-UHFFFAOYSA-N	322.430	3.199	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H](CC(C)C)N(C)C)c1O	228670783	GVHCRESQXOAZSE-CQSZACIVSA-N	314.857	3.120	10	20	DGCD	
C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)cc1	134647682	HHABNARSKCUGAF-XYJFISCASA-N	300.446	3.265	10	20	DGCD	
CCC1(CNC(=O)NCc2cc(OC)ccc2O)CCCC1	135586779	DTMCFNNJTOSBJT-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
CCc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	190920006	FNJYLCJWUGTVKF-GFCCVEGCSA-N	314.385	3.413	10	20	DGCD	
Fc1cc(CN2CCC[C@H]2C2CCC2)ccc1N1CCOCC1	92781005	LLVZQNUGSOHNGJ-SFHVURJKSA-N	318.436	3.427	10	20	DGCD	
COc1cccc(CN2C[C@H](C)OC[C@H]2c2ccccc2)c1O	93660727	OTYIEMASGWWVBW-YOEHRIQHSA-N	313.397	3.363	10	20	DGCD	
COc1ccc(O)c(CNc2cccc(NC(=O)C3CC3)c2)c1	237364324	PXMPOQSNYQHDAP-UHFFFAOYSA-N	312.369	3.361	10	20	DGCD	
Nc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1	237855537	IDJFVARDXLLRHV-UHFFFAOYSA-N	310.275	3.305	10	20	DGCD	
Cc1c(CNC(=O)COc2ccsc2)n(C)c2ccccc12	337091164	KVYOIZAMEVNLDM-UHFFFAOYSA-N	314.410	3.243	10	20	DGCD	
NC(=O)C[C@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)C1	93808714	FVUCQXYUUYUYKE-OAHLLOKOSA-N	324.424	3.147	10	20	DGCD	
COc1cc(Br)cc(CN2CC[C@@H](C)[C@H]2C)c1O	91859391	KHKWTVBPNFIPAH-NXEZZACHSA-N	314.223	3.394	10	20	DGCD	
Cc1cc(C)c(C(=O)NCc2c(C)c3ccccc3n2C)c(O)n1	348660540	MGOGQKPIXDJTCC-UHFFFAOYSA-N	323.396	3.134	10	20	DGCD	
CCc1nc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2)no1	361168474	NSTPNSPRVSSHAU-MRXNPFEDSA-N	314.433	3.425	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NC[C@@H]2CCOC2)c1O	275272373	CFYLEILCWKQULO-QWRGUYRKSA-N	314.223	3.150	10	20	DGCD	
CC[C@H](C)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	277470774	UVGTVHDGBXMNED-QWRGUYRKSA-N	324.808	3.244	10	20	DGCD	
CN(C)c1ccc(CN2CCC(n3cc(Cl)cn3)CC2)cc1	360638426	NUBRGCFJWYRHHL-UHFFFAOYSA-N	318.852	3.440	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(OC)nc1	282395397	DWEDWLVBQBWFQU-UHFFFAOYSA-N	314.385	3.238	10	20	DGCD	
Cn1nc([C@@H]2CCCOC2)cc1NCc1c(O)cccc1Cl	280120675	PMOQVXGSMGSRJE-LLVKDONJSA-N	321.808	3.285	10	20	DGCD	
CCSCCCNC(=O)NCc1ccc(N2CC=CC2)cc1	282271299	UZEVGWROCZYLLN-UHFFFAOYSA-N	319.474	3.005	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cnc(C(C)(C)C)nc1	284440449	SRVRXTSRIFZKNE-UHFFFAOYSA-N	312.461	3.472	10	20	DGCD	
CN(C)c1ccc(CNCC(C)(C)c2ccccn2)cc1F	294853244	SFWBXHGGIZTZBS-UHFFFAOYSA-N	301.409	3.354	10	20	DGCD	
Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1	298333714	ARCNLHQGENNZRC-UHFFFAOYSA-N	309.413	3.261	10	20	DGCD	
C[C@@H](CCCCO)N[C@H](C)c1ccc(Br)cc1O	296560270	SFDGIULWMJIURP-WDEREUQCSA-N	316.239	3.356	10	20	DGCD	
Nc1ccc(CNC(=O)C2(c3ccc(F)cc3F)CCC2)cc1	297340311	YJWOURIXDLRWMC-UHFFFAOYSA-N	316.351	3.285	10	20	DGCD	
Cc1cncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	807839487	FUHSMRMTUCLSHW-UHFFFAOYSA-N	311.168	3.332	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@@H](CC)c1ccc(C)cc1O	293700198	LZBRVRQGFTYYSA-ZBFHGGJFSA-N	306.450	3.294	10	20	DGCD	
CN1CC[C@@H](NCc2ccc(N(C)Cc3cccs3)cc2)C1	823813255	YEADDTJSXLCQQP-MRXNPFEDSA-N	315.486	3.178	10	20	DGCD	
O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc(O)cs1	826749559	WLGOJRPHDIZWPQ-UHFFFAOYSA-N	321.373	3.029	10	20	DGCD	
COCc1ccccc1NCc1cc(OC)c(OC)cc1O	824998618	WNZZKIIWPIIKQB-UHFFFAOYSA-N	303.358	3.168	10	20	DGCD	
CN(C)c1ccc(CN2CCOC[C@@H]2c2ccc(F)cc2)cc1	825045789	LILRPMCTRYLGLI-LJQANCHMSA-N	314.404	3.465	10	20	DGCD	
Fc1cc(CN2CC3(CCCCC3)C2)ccc1N1CCOCC1	839131565	BEGKFYLZCBXOMJ-UHFFFAOYSA-N	318.436	3.428	10	20	DGCD	
CC[C@H](OC1CCCC1)C(=O)N[C@H](C)c1cc(OC)ccc1O	733362199	IGKOKPWLHZZDKR-PXAZEXFGSA-N	321.417	3.316	10	20	DGCD	
O=C(OC1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	830599198	JGWSRUPEFDUJMQ-HNNXBMFYSA-N	305.374	3.062	10	20	DGCD	
COC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839921552	KZKKKULYBNUAAV-HRCADAONSA-N	320.477	3.027	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2CCCC[C@@H]2CC)cc1	739923493	GUYTYPVFDZFXMW-HNNXBMFYSA-N	304.434	3.313	10	20	DGCD	
COc1ccc(CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)c(O)c1	837591647	FRBWNRCEVBTVRP-SGTLLEGYSA-N	305.418	3.479	10	20	DGCD	
CCOC[C@@H](O)CN(Cc1ccccc1)c1ccc(OC)cc1	747670716	TZXHLYMPKVMNRU-SFHVURJKSA-N	315.413	3.099	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cn3c(C)cccc3n2)c1O	846144104	IAOWNYMYTMNREJ-CYBMUJFWSA-N	311.385	3.208	10	20	DGCD	
COc1cccc([C@@H](C)NCCN2CCCC(C)(C)C2)c1O	846163908	CIIKNDMMGSOQKP-CQSZACIVSA-N	306.450	3.173	10	20	DGCD	
COc1cc(O)c(CNCc2cc(Cl)ccc2O)cc1OC	846058156	MEQJLCLIPAENDP-UHFFFAOYSA-N	323.776	3.058	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H](OC3CCC3)C2)c1O	848497513	MMHJWUZUQBTUIW-INIZCTEOSA-N	305.418	3.243	10	20	DGCD	
CC[C@H](C)[C@H](C)N(C(=O)NCCc1ccc(N)cc1)C1CC1	841957146	FRYJNDZLNFNMLW-KBPBESRZSA-N	303.450	3.420	10	20	DGCD	
CCc1cccc(CNCCc2cccc([N+](=O)[O-])c2)c1O	848898951	AWTAHLFOORXCOD-UHFFFAOYSA-N	300.358	3.195	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)C(=O)NCc1cc(Cl)ccc1O	846473159	PXALNLNWLWFQLL-MRVPVSSYSA-N	308.765	3.070	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCc2ccc(C)nc2)c1	845970830	CPOAWJLSIPINRR-CQSZACIVSA-N	300.402	3.388	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)Cc2cnc[nH]2)c1	855134047	AODGTKNHKNAGCN-UHFFFAOYSA-N	322.412	3.398	10	20	DGCD	
COC(=O)[C@@]1(F)CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1	751941589	YCLHOVMBDYWRGR-GOSISDBHSA-N	323.408	3.085	10	20	DGCD	
C[C@H](NC(=O)CC1CCCC1)c1ccc(N2CCOCC2)cc1	920879868	XAIJQSQMZVLXBF-HNNXBMFYSA-N	316.445	3.281	10	20	DGCD	
Oc1nc(Cl)cc(NCc2ccc(N3CCCC3)cc2)n1	858347348	WIAKWDAICZXEDT-UHFFFAOYSA-N	304.781	3.048	10	20	DGCD	
CCC[C@@H](O)CCNCc1cc(C)cc(Br)c1O	922820944	MTEQDXSMOFIBEL-GFCCVEGCSA-N	316.239	3.104	10	20	DGCD	
CCN(CC)c1ccc(CNc2nncn2C2CC2)cc1F	922661228	JTEIHGFADIDMKS-UHFFFAOYSA-N	303.385	3.210	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)CC2	850580065	GJLUTNQETMGJNZ-HIFRSBDPSA-N	323.314	3.120	10	20	DGCD	
C[S@](=O)c1ccc(CNCc2c(O)cccc2Cl)cc1	751153652	TXHMVJHEXPIZJI-FQEVSTJZSA-N	309.818	3.073	10	20	DGCD	
CC1CCN(C[C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	850542949	DIEZKVGGCXKTMY-KBPBESRZSA-N	321.421	3.071	10	20	DGCD	
C[C@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(F)cc1O	756660325	VRVMJQIUZMMKKR-VIFPVBQESA-N	317.286	3.141	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@@H](O)c2ccccc2)c2c(O)ccc(F)c21	756355693	VKYNRNFUCVPQQD-DJSGYFEHSA-N	301.361	3.403	10	20	DGCD	
CN(CCc1ccncc1)Cc1c(O)cccc1Br	862324228	GNMTVCWPKIGZJC-UHFFFAOYSA-N	321.218	3.224	10	20	DGCD	
C[C@@H](NC[C@H]1COCCO1)c1ccc(N2CCCCCC2)cc1	765248648	AIKSKBNOPUSBRS-APWZRJJASA-N	318.461	3.133	10	20	DGCD	
O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccccc1O	769364592	IYQNXSPMSRQAAR-UHFFFAOYSA-N	321.376	3.486	10	20	DGCD	
Cc1occc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	765395388	ILFWTVWIFFBKRN-CYBMUJFWSA-N	318.392	3.415	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCC(C)(C)C2)cc1F	768764281	MWLDVPOXSLTQAC-CYBMUJFWSA-N	307.413	3.270	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@@H](C)CCO)c1	763005695	IXXRNIWMJXGLAG-AWEZNQCLSA-N	314.429	3.151	10	20	DGCD	
CN(Cc1ccc(Cl)s1)C(=O)/C=C\c1ccc(O)c(O)c1	779489480	PKBVMQTYSTYKFJ-CLTKARDFSA-N	323.801	3.485	10	20	DGCD	
Cc1nonc1CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	872136273	LBTSCDDGUNVQEF-LBPRGKRZSA-N	318.396	3.358	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1	877597360	IYIHMHSEQCBYAJ-HZPDHXFCSA-N	302.462	3.268	10	20	DGCD	
CO[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)(C)C	773348676	XTTDWAGQIYCROX-CZUORRHYSA-N	321.465	3.174	10	20	DGCD	
C[C@@H](N[C@@H](CCO)Cc1ccccc1)c1c(O)cccc1F	886606526	ANWUQYJQPJHPEL-HIFRSBDPSA-N	303.377	3.176	10	20	DGCD	
C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773018277	YNFRZKFKDKKTFU-CABCVRRESA-N	312.413	3.397	10	20	DGCD	
C[C@@H](NCCOCC(F)(F)C(F)F)c1c(O)cccc1F	886601172	LQYCBMATDYOJPJ-MRVPVSSYSA-N	313.266	3.099	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@@H]1CCCCS1	783576416	LZRIQYSKWHDIHM-JTQLQIEISA-N	302.490	3.027	10	20	DGCD	
COc1ccc(CN2C[C@H](C)C(F)(F)[C@H](C)C2)c(O)c1OC	895551238	UMEKAPNGBOYXBV-PHIMTYICSA-N	315.360	3.133	10	20	DGCD	
CC(C)=C(F)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089821243	VPADSKVNAOFTJL-UHFFFAOYSA-N	321.371	3.127	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cccc([S@@](C)=O)c2)cc1F	1329722690	NVUMCESZBGCJPY-JOCHJYFZSA-N	324.396	3.380	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCO[C@H]1CCOC1	1320247337	QLKMGXGRZOPEJQ-QLFBSQMISA-N	305.418	3.034	10	20	DGCD	
Cc1ccc(C2=NO[C@H](CNCc3cc(F)ccc3O)C2)cc1	1334383761	IFJXVCJHRGTBNX-INIZCTEOSA-N	314.360	3.123	10	20	DGCD	
CN(Cc1cccc(Cl)c1O)[C@H](C(=O)O)c1ccccc1	1606164927	PSQQCFRULNACDP-AWEZNQCLSA-N	305.761	3.303	10	20	DGCD	
Cc1ccc(Br)nc1C(=O)N(C)c1ccc(N)cc1	1579658207	IZRUTTHJSQYJAJ-UHFFFAOYSA-N	320.190	3.011	10	20	DGCD	
C[C@@](NCc1cc(Cl)c(F)cc1O)(C(=O)O)c1ccccc1	1589128839	OJBBKUBDLJYMDQ-INIZCTEOSA-N	323.751	3.274	10	20	DGCD	
C[C@H](NCc1ccc2ncccc2c1)c1cc(C(=O)O)ccc1O	1593304274	KIROARJATOVXRX-LBPRGKRZSA-N	322.364	3.489	10	20	DGCD	
C[C@@H](NCc1ccnc2c(C(=O)O)cccc12)c1ccccc1O	1599841657	BCGVNTLSFSSBIW-GFCCVEGCSA-N	322.364	3.489	10	20	DGCD	
CCN1CCc2cc(CN[C@@]3(C(=O)O)CCC(C)(C)C3)ccc21	1776877407	CJEFKWIJSKGHKT-IBGZPJMESA-N	316.445	3.192	10	20	DGCD	
Cn1ccc(/C=C2/SC(=S)N([C@H]3C[C@@H]4CC[C@@H]3C4)C2=O)c1	160312036	IPYGRALARVKFOW-MLQTWWMKSA-N	318.467	3.415	10	20	DGCD	
Cc1ccnc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)c1	165929602	LUELBHPUEMNVNM-UHFFFAOYSA-N	311.429	3.035	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1c(C)nn(C)c1C	157575823	WTZVEXYYSHYQHZ-UHFFFAOYSA-N	300.450	3.125	10	20	DGCD	
C[C@@H]1O[C@H](C)C[C@H]1CNCc1c(O)cccc1Br	686508366	OPWAZFXGPXZZOC-VWYCJHECSA-N	314.223	3.058	10	20	DGCD	
CC(C)(CCCO)CNCc1ccc(Br)cc1O	691487409	FLOZMEDGCDBEIK-UHFFFAOYSA-N	316.239	3.043	10	20	DGCD	
C[C@@H]1CSC[C@@H]1NCc1cc(Br)cc(F)c1O	715768159	BWRKFSWABCGALW-HQJQHLMTSA-N	320.227	3.135	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(C)c(C)c2)c1	114564494	QPGYYLGICRTFIM-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2ccccn2c1	175425972	GAIRCPIMCJFNPI-UHFFFAOYSA-N	321.380	3.045	10	20	DGCD	
CC(C)(NCc1cc2c(cc1O)OCO2)c1ccc(F)c(F)c1	175990317	MNYCYUILXMCHEX-UHFFFAOYSA-N	321.323	3.424	10	20	DGCD	
C[C@@H](NC[C@H](c1ccccc1)N(C)C)c1ccc(F)cc1O	170788849	SINXJPJXXJMTQT-CXAGYDPISA-N	302.393	3.485	10	20	DGCD	
Cc1c(C(=O)N(C)Cc2ccccc2O)c(=O)oc2ccccc12	176831149	SJEGIVJGWYGLPK-UHFFFAOYSA-N	323.348	3.079	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCCN(CC)CC	66688111	STMGVWJBGILNLP-UHFFFAOYSA-N	321.465	3.046	10	20	DGCD	
Cc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc(C)n1	301121991	NXORGUABKMENBP-CQSZACIVSA-N	312.417	3.103	10	20	DGCD	
CC(C)COC[C@@H](O)CN[C@H](C)c1ccc2ccccc2c1O	185117157	IINQSKHSAFUOST-ZBFHGGJFSA-N	317.429	3.230	10	20	DGCD	
CCC(=CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)CC	124610270	JRBQVFATCVYLPK-HNNXBMFYSA-N	316.445	3.447	10	20	DGCD	
CN(CCc1ccncc1)Cc1cc(Br)ccc1O	183760099	YCLHWOWORDAVAR-UHFFFAOYSA-N	321.218	3.224	10	20	DGCD	
O=c1[nH]c2ccc(NCc3ccc(N4CCCC4)cc3)cc2[nH]1	319964440	IIQHFCNMYNZAKG-UHFFFAOYSA-N	308.385	3.069	10	20	DGCD	
CCc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	186661651	ALQWAKNLIRDTHK-LBPRGKRZSA-N	314.385	3.413	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2NC(C)=O)cc1F	180772542	IDQZSARCGMEILS-UHFFFAOYSA-N	302.349	3.429	10	20	DGCD	
Cc1cc(O)c(CN2CCSC3(CCOCC3)C2)cc1C	184830766	RTBMONZEMKFKMJ-UHFFFAOYSA-N	307.459	3.107	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](O)c2ccc(Cl)c(F)c2)cc1	136156378	PXGULZWLZRBAFY-KRWDZBQOSA-N	322.811	3.368	10	20	DGCD	
CNC(=O)c1ccc(CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)cc1	323932278	ZSJCPTUNCLSOAQ-XJKSGUPXSA-N	324.424	3.398	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C(C)(C)CC(C)C)CC2)cc1	84515710	KBWULONJMBCEEF-UHFFFAOYSA-N	318.461	3.416	10	20	DGCD	
C[C@H]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1n1ccnc1	91960337	PZHIOQPXSALXDU-WFASDCNBSA-N	305.809	3.325	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccccc3)C2=O)c(O)c1	273481197	MBKJQBDLDFIWMX-QAPCUYQASA-N	324.424	3.152	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(-n3ccnc3)nc2)c(O)c1C	363862773	ZCTUTRCVNIHOTP-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(SC)CCC2)c1	279027852	IECXRJOAHFRSJE-LLVKDONJSA-N	309.431	3.115	10	20	DGCD	
CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)cc2)CCO1	273030694	YAVDGLALBGTPFQ-FUHWJXTLSA-N	318.461	3.210	10	20	DGCD	
CCn1nc(CNCc2ccc(N(C)C)cc2)c2ccccc21	274474336	WHYFTKPVXPTRNE-UHFFFAOYSA-N	308.429	3.412	10	20	DGCD	
C[C@H](NCc1ncccc1N(C)C)c1cc(Cl)ccc1O	289719039	JLWYUBCPEMSURU-NSHDSACASA-N	305.809	3.357	10	20	DGCD	
Cc1cc(C(=O)NCCSC(C)C)c(C)n1-c1ccccn1	286706434	LVTOGUAGRFDIRD-UHFFFAOYSA-N	317.458	3.361	10	20	DGCD	
CN(Cc1cc(Cl)cc(Cl)c1O)C[C@@H](O)C(F)(F)F	809751597	SXPXACXHEDYDIC-SECBINFHSA-N	318.122	3.054	10	20	DGCD	
Cc1nc2ccccc2n1CCN[C@@H]1CCc2cccc(O)c21	296126444	VOXURFMGPSPXPE-MRXNPFEDSA-N	307.397	3.327	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCCC23CCOCC3)c(O)c1	800294073	VRSSYYJXVBRNNS-QGZVFWFLSA-N	305.418	3.230	10	20	DGCD	
COC(=O)c1cnc(SCc2nc(C)c(C)s2)s1	295368481	SCYGCZLUYULGNF-UHFFFAOYSA-N	300.430	3.295	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCOC[C@@H]1c1ccco1	816509184	GVWRIDZMLIDDDN-CYBMUJFWSA-N	311.740	3.351	10	20	DGCD	
OCCOc1ccc(NCc2cc(Cl)c(F)cc2O)cc1	816526411	CZDZOHQKFWDDKB-UHFFFAOYSA-N	311.740	3.168	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCCc3ccccc32)cc1	817938532	MMOZDKDCAJXQLR-WOJBJXKFSA-N	309.457	3.420	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c1	817939034	XZISWMMIWWMLIE-KUHUBIRLSA-N	313.445	3.112	10	20	DGCD	
C[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1(F)F	817603800	PWWSPXIYHYJTLA-LLVKDONJSA-N	310.127	3.361	10	20	DGCD	
CC/C(C)=C\C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	822786214	NHJOKWINKBESGV-SEWDUPMJSA-N	302.418	3.057	10	20	DGCD	
O=C(O)CC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	901419367	PVPXHSGDMSQCRE-UHFFFAOYSA-N	316.445	3.364	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1cccc(Cn3ccnc3)c1)CC2	834507710	CNKCXWSMMFXVIL-SFHVURJKSA-N	319.408	3.414	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCCSC1	839922665	XWAQRHMYFGTLMM-GOEBONIOSA-N	320.502	3.251	10	20	DGCD	
CCN1CC[C@H](NCc2ccc(N(CC)CC)c(F)c2)[C@H](C)C1	742385874	ZJQUHXCEACBORD-QAPCUYQASA-N	321.484	3.492	10	20	DGCD	
COC1([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1	840355163	XZJXRPMCHAAFQC-UONOGXRCSA-N	319.449	3.070	10	20	DGCD	
C[C@H](N[C@@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1O	841761657	QQNQVGWETGHRSH-MEDUHNTESA-N	314.341	3.223	10	20	DGCD	
CN(C)c1ccc(CNCC2(N)CCCC2)c(C(F)(F)F)c1	849349611	CMSKGMFQWGTNMB-UHFFFAOYSA-N	315.383	3.133	10	20	DGCD	
O=C(CC1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	743339762	YBVOACSFHKDVDH-MRXNPFEDSA-N	303.402	3.090	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2CO[C@@H](C)C2)c1C	844106273	MLFVNSPYFCREQU-GOEBONIOSA-N	312.413	3.310	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCc1cccc([N+](=O)[O-])c1	840935869	DDCVXFDZPPZAHM-UHFFFAOYSA-N	313.401	3.302	10	20	DGCD	
CO[C@@](C)(C1CC1)[C@@H](C)NCc1c(O)ccc(Cl)c1F	840961123	QRFOYZVOVOKVOF-RFAUZJTJSA-N	301.789	3.478	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](C)CCOC)cc1	840263753	WJEPHNXHGRQUFR-OAHLLOKOSA-N	321.465	3.005	10	20	DGCD	
Oc1cc2c(cc1CN1C[C@@]3(CCCO3)[C@H]1C1CC1)CCCC2	840100474	YSUJLUOIPGPDFD-UXHICEINSA-N	313.441	3.414	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc2ccccc2c1O	760886930	OZHBLXJQCHXTLI-DOPJRALCSA-N	315.413	3.390	10	20	DGCD	
COc1ccc(CNC(=S)Nc2ccc(C)cc2C)nc1	766512825	SXSCPTIKLMISHW-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C\c2ccsc2)c1	768911753	SYNWVLIXSKJXEZ-ZTYXWKCZSA-N	303.383	3.353	10	20	DGCD	
CN1CCCc2cc(CNCc3nc(Cl)cs3)ccc21	876986550	GCWFNVWFKDCDSH-UHFFFAOYSA-N	307.850	3.469	10	20	DGCD	
CCOc1ccc(CN2CCc3c(F)cccc3C2)c(O)c1	769387008	HACZPWJBVOHMIR-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
CCCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C[C@H]1C	1044422698	TUSIWMKSYIDVGH-WBVHZDCISA-N	318.461	3.273	10	20	DGCD	
C[C@H](N[C@H]1CCn2ccnc2C1)c1cc2c(cc1O)CCCC2	779065648	NIIHTIUEYCAFNR-BBRMVZONSA-N	311.429	3.133	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H](C)C1	776150520	PLXIMLMKTGJRFF-CQSZACIVSA-N	303.450	3.393	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CCS[C@H]3C)CC2)cc1	783609568	YONGFBHTSSGGDQ-SUMWQHHRSA-N	306.475	3.148	10	20	DGCD	
COc1ccc(O)c(CNc2cccc3c2OCC[C@H]3OC)c1	790944552	BKBLUXFVEYSNPG-QGZVFWFLSA-N	315.369	3.483	10	20	DGCD	
COc1ccc(CNC(=O)NC2[C@@H](C)CCC[C@@H]2C)c(O)c1	793076922	WNYHIVLZGJDSTE-RYUDHWBXSA-N	306.406	3.025	10	20	DGCD	
CCO[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C12CCC2	1336448343	ARIMIEZGUOLXTC-KCXAZCMYSA-N	318.417	3.100	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)CC1(N(C)C)CCC1	1343299936	JXBNHLDCRKOSNW-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
COc1cc(C)cc(CN2CCN(c3cccs3)CC2)c1O	164487310	HIMPRGHGUUNGQQ-UHFFFAOYSA-N	318.442	3.093	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccn1	152308473	WIOMOSBVIUSWJW-CVEARBPZSA-N	311.429	3.330	10	20	DGCD	
CCN(Cc1ccoc1)C(=O)NCc1ccc(N(C)C)cc1	102436345	RFZXCXJBXMTODI-UHFFFAOYSA-N	301.390	3.077	10	20	DGCD	
C[C@H](Cc1cccs1)NC(=O)NCc1ccc(N(C)C)cc1	27351042	JEBRWNFYOGYAFM-CYBMUJFWSA-N	317.458	3.245	10	20	DGCD	
CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1	179536273	KCNSOWFJUOGOAU-VXGBXAGGSA-N	309.431	3.200	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccc(C)cc2C)c1O	104969679	LZVKERXQSQJIKP-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)c2ccccc21	107047179	QQMNJQOQGXNQLQ-GFCCVEGCSA-N	304.353	3.236	10	20	DGCD	
Cc1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)c(O)c1O	179537686	HVTJMDIADJLYFF-UHFFFAOYSA-N	317.307	3.211	10	20	DGCD	
Clc1cnc(NCc2ccc(N3CCSCC3)cc2)nc1	301482717	FSODZJZHEOVUHH-UHFFFAOYSA-N	320.849	3.295	10	20	DGCD	
Cc1cc(N(C)Cc2ccc(N(C)C)cc2)ncc1[N+](=O)[O-]	74726646	IZIWPQQYCXEQCS-UHFFFAOYSA-N	300.362	3.001	10	20	DGCD	
CSc1ccccc1C(=O)N1CCSC2(CCOCC2)C1	186843932	WFHOVYHHVXZNNW-UHFFFAOYSA-N	323.483	3.147	10	20	DGCD	
Cc1nccn1-c1ccc(CN[C@H](C)c2ccccc2O)cn1	183433368	AMLSAXMKJYXMCG-CYBMUJFWSA-N	308.385	3.132	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CCSC	77643519	MYSPHADZALBDRR-AWEZNQCLSA-N	323.506	3.426	10	20	DGCD	
CC[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1	74416089	BDSHPYJJQOLSOS-TZMCWYRMSA-N	306.406	3.169	10	20	DGCD	
COCCCCN[C@@H](C)c1cc(Br)ccc1O	185036908	XGFFSCJLNOAGHN-JTQLQIEISA-N	302.212	3.232	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@H](C)c2ccc(C)cc2O)c1	185419555	PIFMQCNOBZFKFB-ACJLOTCBSA-N	301.386	3.093	10	20	DGCD	
Nc1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1	238033067	YKPINJQERJNFLF-KRWDZBQOSA-N	312.369	3.079	10	20	DGCD	
COc1ccc([C@@H](C)CCNC(=O)Cc2ccc(N)cc2)cc1	237176811	BPXHJAHECKUFLW-AWEZNQCLSA-N	312.413	3.130	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)C1CCCCC1	277585503	RVZVRZYSGACAGZ-UHFFFAOYSA-N	312.207	3.351	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H]2CCCC23CCOCC3)c1O	282146464	SHGKIVCJQICJGG-MRXNPFEDSA-N	321.392	3.173	10	20	DGCD	
Cc1c(CNC(=O)Cc2ccc(F)cc2)n(C)c2ccccc12	471227342	JFUFBMSIGKLQRG-UHFFFAOYSA-N	310.372	3.485	10	20	DGCD	
C[C@@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(N2CCOCC2)cc1	800968135	GIEFTOGEIWLNRF-IWKCEXAMSA-N	300.446	3.362	10	20	DGCD	
CC1=CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CC1	293830435	DUNYTKKEDPZFPV-MRXNPFEDSA-N	304.409	3.251	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1	293537352	CKMQGQBHOQNYJT-SFHVURJKSA-N	300.446	3.144	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCN(C)CC(F)(F)F)c1O	808694462	DGNFAYRIJUZWCN-JTQLQIEISA-N	324.774	3.499	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC1(C)C	807575648	QTOKPBGYVXBLTB-MRXNPFEDSA-N	303.450	3.473	10	20	DGCD	
CCCc1[nH]ccc1C(=O)NCc1c(O)ccc2c1CCCC2	817548776	DDQWSKDWSYJZPC-UHFFFAOYSA-N	312.413	3.482	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc2c(c1)CCCCC2=O	810275135	JOFGOPBOZBMTDU-UHFFFAOYSA-N	309.365	3.231	10	20	DGCD	
COC[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1O)C1CC1	815598321	ROZNLAMJVIJVNS-TVQRCGJNSA-N	303.324	3.487	10	20	DGCD	
C[C@H](NCC1(CC(N)=O)CC1)c1cc(Cl)c(Cl)cc1O	817586194	LUJRZEGSPKTDIX-QMMMGPOBSA-N	317.216	3.005	10	20	DGCD	
C[C@H](N[C@@H](CO)CC(F)F)c1cccc(C(F)(F)F)c1O	815620211	KKVCTNYBXVFGKK-JGVFFNPUSA-N	313.266	3.078	10	20	DGCD	
c1ccc2c(c1)OCCCN2Cc1ccc(N2CCOCC2)cc1	811508328	MCEGIFJQSXSLPZ-UHFFFAOYSA-N	324.424	3.312	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN(C)C1)c1cccc(C(F)(F)F)c1O	815578312	LWGFLJHDTZDPHS-VXGBXAGGSA-N	316.367	3.403	10	20	DGCD	
Nc1ccc(NC(=O)c2sc(N3CCCC3)nc2Cl)cc1	818556508	XOSDXZUHDJDXQA-UHFFFAOYSA-N	322.821	3.231	10	20	DGCD	
CO[C@@H]1CCC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	814415583	WNGBWSOTMJJXRC-UKPHBRMFSA-N	304.434	3.135	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cnc3c(C)cccn23)c1	813331687	RDWGKXQMTBWLJK-ZDUSSCGKSA-N	311.385	3.208	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3C[C@H]4CC(=O)[C@@H]3C4)cc12	817761997	NVPUKBRHWKPCEJ-APHBMKBZSA-N	311.381	3.316	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C=CCC1	821085598	HQRUHIDZAVAFNS-MRXNPFEDSA-N	301.434	3.391	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@](C)(O)c2cccc(F)c2)c1O	903310292	PQMODSVJHOHDFS-KPZWWZAWSA-N	319.376	3.098	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1C	905319233	XGASCDJYAGOMQF-UHFFFAOYSA-N	310.397	3.194	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C)C[C@H]2C(=O)O)cc1	902015889	JPGRTQXODBQAEB-YOEHRIQHSA-N	304.434	3.218	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)cs1	732261807	OLUVWVGDHRDXMO-UHFFFAOYSA-N	304.415	3.182	10	20	DGCD	
CC1=C(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCCO1	839918509	AJOHSWDZECBTLK-AWEZNQCLSA-N	316.445	3.193	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3cccc(C)c3o2)c1	734017572	NXFWUMJVZLHOHU-UHFFFAOYSA-N	311.337	3.385	10	20	DGCD	
Cc1ccc(CCNCc2cc(F)c(N(C)C)cc2F)nc1	858175208	JAUYTVMGBDLQEO-UHFFFAOYSA-N	305.372	3.067	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(N(C)C)cc1	858478899	DQAFGZJNIUFDBY-CJNGLKHVSA-N	311.420	3.133	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1[C@H]2CCC[C@H]1CC2	752985573	YKFTZMPXNOENMT-HOTGVXAUSA-N	301.434	3.288	10	20	DGCD	
C[C@@H]1C[C@@H](NCC[S@@](=O)C(C)(C)C)c2c(O)ccc(F)c21	756588134	FLJJDNGVAYIDMZ-NNJUXLKUSA-N	313.438	3.216	10	20	DGCD	
C[C@H](N[C@H](C)C[C@@H](O)c1ccco1)c1cc([N+](=O)[O-])ccc1O	756678111	UWHLHIGWZHVGGI-JRPNMDOOSA-N	320.345	3.056	10	20	DGCD	
CC1(C)[C@H]2CCC[C@H]2[C@H]1NCc1ccc(N2CCOCC2)cc1	850427299	RKDKIEMKCVUTSI-CEXWTWQISA-N	314.473	3.438	10	20	DGCD	
CC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccc(N(CC)CC)cc1	857757943	XQBPYXZWVCXMOD-JKSUJKDBSA-N	319.493	3.268	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2COc3cc(F)ccc3C2)c1	850537028	MJEXWIGFJRVUNI-DOMZBBRYSA-N	301.361	3.494	10	20	DGCD	
N[C@@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2	857226190	HEZVXNRECLIZAQ-IINYFYTJSA-N	301.217	3.012	10	20	DGCD	
COCc1csc(CNC(=O)N[C@H](C)c2ccccc2O)c1	868773236	JKDBKMFAXOVBRR-LLVKDONJSA-N	320.414	3.161	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2cnccc2[nH]1	930905972	YUDLLDHKBXXXHS-UHFFFAOYSA-N	322.412	3.291	10	20	DGCD	
CC[C@@](C)(NC(=O)N[C@H](C)c1ccccc1O)C(F)(F)F	933507669	YBINBEFRKOFZLK-NOZJJQNGSA-N	304.312	3.483	10	20	DGCD	
COc1cccc(C2(C(=O)NCc3cc(C)ccc3O)CC2)c1	862756236	UJWRAQAMXXMHGF-UHFFFAOYSA-N	311.381	3.057	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)COC(F)(F)F	935854798	HRGVQCXXOAHZPI-UHFFFAOYSA-N	305.296	3.057	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccccc1OCC(F)F	762219910	JJRABHBFMWIOIW-UHFFFAOYSA-N	322.311	3.358	10	20	DGCD	
COc1cccc(O)c1CN(C)CCOc1cccc(C)c1	768213793	SVUNJZCFHKRUDL-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
CC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1	773413237	GLMYPWLZZDWQQZ-JQFCIGGWSA-N	319.449	3.070	10	20	DGCD	
CC1(C)N[C@@H](c2cc(Cl)ccc2O)N(c2ccccc2)C1=O	877857563	UOSLVARPIFVYAY-OAHLLOKOSA-N	316.788	3.459	10	20	DGCD	
CCc1c(C(=O)N(C)c2ccc(N)cc2)cnn1C(C)(C)C	877078047	AUMNCOZAXCTEKV-UHFFFAOYSA-N	300.406	3.059	10	20	DGCD	
C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	776474967	JZALLIBCZKQDHF-HLLBOEOZSA-N	317.429	3.336	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccc(CC(N)=O)cc1	1117671848	RBEAXLQTMORERM-BBRMVZONSA-N	324.424	3.067	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1	770374308	LDASYKSYUJFNBL-CXAGYDPISA-N	320.864	3.494	10	20	DGCD	
Cc1ccc(CNCc2ccccc2CN2CCCC2=O)c(O)c1	876926138	XQRSNKPNKLDZEU-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
C[C@H](NC[C@@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1O	774377332	FZXDNWQJEAUJRY-FZMZJTMJSA-N	310.388	3.338	10	20	DGCD	
CCN(C)c1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1	773811687	RWZMZLZKVIFKHX-UHFFFAOYSA-N	316.367	3.032	10	20	DGCD	
CCC(C)(C)N[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	772160572	OADMUDGNSUSUGP-HNNXBMFYSA-N	317.477	3.070	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccc(N(C)C)cc1	773013279	KANPXLUUIUDCHJ-PBHICJAKSA-N	324.424	3.181	10	20	DGCD	
C[C@H](N[C@H](C)CC[S@](C)=O)c1cccc(C(F)(F)F)c1O	788669816	PNFWOCYEXBHTPZ-ULQSSITMSA-N	323.380	3.219	10	20	DGCD	
CN1CCCc2cc(CNc3cc(C(F)F)ncn3)ccc21	892133812	UPIHTKMGZVKIQN-UHFFFAOYSA-N	304.344	3.409	10	20	DGCD	
CCOc1cccc(CN(CCOC)[C@H]2CC[C@H](C)C2)c1O	792192315	HQBYSARVRFZAAN-HOCLYGCPSA-N	307.434	3.428	10	20	DGCD	
CC[C@H](NCCCOC[C@H]1CCOC1)c1ccc(F)cc1O	796781038	UMSNEMUVUNFOBU-CJNGLKHVSA-N	311.397	3.015	10	20	DGCD	
CN[C@H](C)CCNCc1ccc(OCc2ccccc2)cc1O	1325624831	GDFMCLLOUUXXTM-OAHLLOKOSA-N	314.429	3.059	10	20	DGCD	
Cc1ccc(C(=O)N(C)Cc2cc3ccccc3[nH]2)c(O)c1O	1325077750	RVRCDMWNHZTHSI-UHFFFAOYSA-N	310.353	3.160	10	20	DGCD	
COc1cc(NCc2cc(C)ccc2O)c([N+](=O)[O-])cc1OC	1329758015	BPHJFFUWBBBLQS-UHFFFAOYSA-N	318.329	3.238	10	20	DGCD	
O=C(O)[C@H]1CN(Cc2cc3c(cc2O)CCC3)Cc2ccccc21	1608645155	IMDLYAVNFVOBRT-SFHVURJKSA-N	323.392	3.065	10	20	DGCD	
CCCN(Cc1ccc(N2CCOCC2)c(F)c1)CC1CC1	154690488	HHBMQGBMLZFXBW-UHFFFAOYSA-N	306.425	3.284	10	20	DGCD	
CC(=O)c1csc(C(=O)NCc2ccc(N(C)C)cc2C)c1	115280535	RAMGQYUBZBYDDT-UHFFFAOYSA-N	316.426	3.255	10	20	DGCD	
CC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	125527019	VRNPTITWUGQIOB-SFHVURJKSA-N	318.392	3.124	10	20	DGCD	
Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(O)c2O)cc1	185651206	KOOYJTJDQBAIED-OAHLLOKOSA-N	311.381	3.254	10	20	DGCD	
CC(C)(C)[C@H](Cn1ccnc1)NCc1cc(Cl)ccc1O	37156668	GSRWROZQRDOIEC-HNNXBMFYSA-N	307.825	3.447	10	20	DGCD	
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)Cc1ccccc1O	186215858	MPYSSXTYQZQBIS-RDJZCZTQSA-N	320.433	3.127	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccco1	75416820	JWFUEDSYKCQUNO-UHFFFAOYSA-N	324.174	3.410	10	20	DGCD	
CSC1(CNCc2cc(Br)ccc2O)CC1	193653571	XWMUBEWJXMSZKQ-UHFFFAOYSA-N	302.237	3.140	10	20	DGCD	
Nc1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc1	238001326	DCDWYEXACMUDMK-QGZVFWFLSA-N	313.376	3.011	10	20	DGCD	
CCOC(=O)N1CC[C@H](N[C@H](C)c2ccc(N(C)CC)cc2)C1	248636033	KTVUUBHJJVDKQJ-ZBFHGGJFSA-N	319.449	3.024	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC2CCN(c3cc(C)n[nH]3)CC2)c1	275959121	VPHWGBDJPKMKEX-CQSZACIVSA-N	314.433	3.052	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCOCC(F)(F)C(F)F)c1	278590831	YWYLHMXJQXFCMM-JTQLQIEISA-N	309.303	3.268	10	20	DGCD	
COc1ccc(C[C@H](C)NCc2ccccc2O)c(C)c1OC	286244092	UBPTZHZYRHTVHE-ZDUSSCGKSA-N	315.413	3.439	10	20	DGCD	
COCCCOc1ccc(CNCc2cc(F)ccc2O)cc1	289346044	IMQFSQNSVXYPOX-UHFFFAOYSA-N	319.376	3.236	10	20	DGCD	
CC(=O)N[C@@H]1CCN(Cc2cc3oc4ccccc4c3cc2O)C1	817366508	UHKYTRMSUBBTLZ-CQSZACIVSA-N	324.380	3.002	10	20	DGCD	
CN(C)c1ccc(CNc2nc3cc(Cl)ccn3n2)cc1F	811840088	MWGXHPKDGBPAON-UHFFFAOYSA-N	319.771	3.200	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC3(CCOC3)C2)c1	819384972	VCJUNYJCAHNVHS-UHFFFAOYSA-N	324.424	3.265	10	20	DGCD	
C[C@H](CCCN)N[C@H](C)c1cc(Br)cc(F)c1O	817977957	RZECQHZIVXWATG-RKDXNWHRSA-N	319.218	3.072	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@H]2CCc3nc(C)ncc3C2)c(O)c1	815557745	CQPSNYUEYSNGSM-BBRMVZONSA-N	311.429	3.316	10	20	DGCD	
Cc1cc(CN2CC[C@@H](O)[C@H](C)C2)ccc1N1CCCCC1	828987795	LQKNTTXBBHQPHG-VQIMIIECSA-N	302.462	3.188	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](O)Cc2cccc(F)c2)cc1Cl	826030486	ZVXRBCQSVBPIDA-HNNXBMFYSA-N	323.795	3.186	10	20	DGCD	
Cc1cc(O)c(CN[C@H](CO)Cc2ccccc2)cc1Cl	825279840	YIJCZTALQPMTIJ-HNNXBMFYSA-N	305.805	3.047	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](O)CNCc1cc(Cl)cc(F)c1O	827733920	RAWDONDLZSAAJH-BDJLRTHQSA-N	323.795	3.439	10	20	DGCD	
C[C@@H]1CCCC[C@H]1CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832279617	KUDPQHKWRSOUAE-UWWQBHOKSA-N	317.477	3.085	10	20	DGCD	
Cc1cc(O)c(CN(Cc2cnn(C)c2)CC(C)C)cc1C	835075934	BBRIOQRTBPSJSP-UHFFFAOYSA-N	301.434	3.401	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC([C@@H]2CCNC2)CC1	843127837	TYLYTRKRFKRVOK-GFCCVEGCSA-N	312.816	3.006	10	20	DGCD	
CCc1ncc(CN(C)CCN(C)c2ccc(OC)cc2)s1	846052410	QFDBLBISMZRXMI-UHFFFAOYSA-N	319.474	3.282	10	20	DGCD	
CC(C)Oc1ccc(CCNC(=O)Nc2ccc(N)cc2)cc1	841301634	BKFMYGHSCKSBJQ-UHFFFAOYSA-N	313.401	3.420	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC1CC1	843486481	UDNJIEGBPQWQEP-OAHLLOKOSA-N	324.424	3.234	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](C(=O)O)[C@@H]3CCCC[C@@H]32)cc1	849345341	IHLXAIVZGHICMP-BZSNNMDCSA-N	316.445	3.218	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CC[C@@H]2CCOC2)C2CC2)cc1	751228510	VAJOLWPJKNYXJB-MRXNPFEDSA-N	316.445	3.060	10	20	DGCD	
Cc1ccc([C@H](C)NCC(=O)N(C)C2CCCCC2)c(O)c1C	756639359	XOBCYGJBRZPQIR-HNNXBMFYSA-N	318.461	3.451	10	20	DGCD	
COc1ccc2c(c1)OC[C@H](N[C@H](C)c1ccc(C)cc1O)C2	756776237	XISLTPULYXWZOF-UKRRQHHQSA-N	313.397	3.364	10	20	DGCD	
C[C@@H]1CCC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	850405860	IEFZHNOMWGEMSW-NVXWUHKLSA-N	302.462	3.316	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1nc(C)c(C)[nH]1	850326754	CRKPTSDXWDTHRL-ZDUSSCGKSA-N	300.450	3.122	10	20	DGCD	
O=C(N[C@H](CCc1ccccc1)C(F)F)c1cc(O)cs1	862807375	JGURCTIZCGXGEA-GFCCVEGCSA-N	311.353	3.450	10	20	DGCD	
CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cc2c(cc1O)CCCC2	760885973	NDBOGARNYHFYPH-BOFPYLFWSA-N	319.445	3.116	10	20	DGCD	
CC(C)c1noc(NCc2c(O)cccc2Br)n1	865289241	BKUMZDAUWBYJDU-UHFFFAOYSA-N	312.167	3.273	10	20	DGCD	
OC[C@H]1C[C@@H](NCc2ccc3c(c2)CCN3Cc2ccccc2)C1	865663600	UDZWYONVMJVJKX-PUZFROQSSA-N	322.452	3.110	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[C@H]1C	766775595	GJPZEHSDEMGVJV-HUUCEWRRSA-N	315.461	3.257	10	20	DGCD	
CCOc1ccc(CN2CCc3cccc(F)c3C2)c(O)c1	769436775	YBVVYHSBQDJITO-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cccc3c2OCC3(C)C)c1	862756229	UGUZTDMVDFQGPE-UHFFFAOYSA-N	311.381	3.301	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N=c1cc(C)[nH]cc1C	767939837	UXQJNQHFUOOUJX-UHFFFAOYSA-N	313.401	3.270	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2ccsc2)c1	768911755	SYNWVLIXSKJXEZ-ZXCPCRMDSA-N	303.383	3.353	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3CS[C@H](C)C3)C2)cc1	877597886	BQVSDEXWIOWEJO-KFWWJZLASA-N	306.475	3.005	10	20	DGCD	
C[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779516819	ZJVZLEMHBVUWKR-FNOHHLHBSA-N	309.365	3.336	10	20	DGCD	
CCOC(=O)C1CCC(NCc2cc(C)c(C)cc2O)CC1	877717351	JBCHEEZCUWTHMR-UHFFFAOYSA-N	305.418	3.221	10	20	DGCD	
Oc1ccc(F)cc1CNCCN1CCCc2ccccc21	779057692	CQNCIJOPOXBWFK-UHFFFAOYSA-N	300.377	3.074	10	20	DGCD	
CCC[C@@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773087196	GYEGWNPEGCMEGA-KGLIPLIRSA-N	312.479	3.169	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCO[C@@H](C)C1	770230501	SGINKCAXXYEBQX-UONOGXRCSA-N	318.442	3.453	10	20	DGCD	
C[C@H]1CCCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	776126395	BXRFLACNCWDVRA-HNNXBMFYSA-N	315.461	3.401	10	20	DGCD	
CN(C)c1ccc([C@@H](CNC(=O)CCC2(C)CC2)N(C)C)cc1	891257847	KPWAGDJHXVSPIY-QGZVFWFLSA-N	317.477	3.052	10	20	DGCD	
C[C@H](NCC1(CO)CCC1)c1cccc(C(F)(F)F)c1O	788743637	ZSLZDTVCKHMFDE-JTQLQIEISA-N	303.324	3.224	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@@H](O)CCc1ccccc1	784680397	QRXDFUPAXYSVRW-INIZCTEOSA-N	305.805	3.129	10	20	DGCD	
CC1(CC(=O)OCC(=O)c2ccc(O)c(O)c2)CCCCC1	784360469	KOBDHKIGMKAFDH-UHFFFAOYSA-N	306.358	3.184	10	20	DGCD	
C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CO1	784312009	HYHIZAHAUVXPPJ-DOTOQJQBSA-N	316.445	3.060	10	20	DGCD	
COc1ccc(CN[C@@H](C(C)C)C(F)(F)F)c(O)c1OC	893947121	WVVCZRGINCKYAH-ZDUSSCGKSA-N	307.312	3.086	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C	793192047	OYHDWTGATJHLQX-QILLFSRXSA-N	318.461	3.340	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c(O)c1	792977434	WHNDZKNXMKTGLI-DOMZBBRYSA-N	320.433	3.415	10	20	DGCD	
COc1ccc(CNC(=O)c2ccccc2OC(C)C)c(O)c1	794378974	HZAREFMTBPYLEI-UHFFFAOYSA-N	315.369	3.118	10	20	DGCD	
CNC(=O)[C@]1(C)CCN(Cc2cc(-c3ccccc3)ccc2O)C1	797604871	JUEBBUKZYOUCDJ-HXUWFJFHSA-N	324.424	3.017	10	20	DGCD	
CC[C@@H](N[C@@H](CO)c1ccccc1OC)c1ccc(F)cc1O	796818458	UTHJHTZNBBGNRD-CVEARBPZSA-N	319.376	3.314	10	20	DGCD	
C[C@H]1SCC[C@H]1NCc1c(O)cccc1Br	706871998	BAZPFESCJROXGZ-LDYMZIIASA-N	302.237	3.138	10	20	DGCD	
Cc1cccc(C2(C(=O)NCc3cccc(O)c3O)CCC2)c1	1521852215	SLOILSYWVIQKOL-UHFFFAOYSA-N	311.381	3.144	10	20	DGCD	
C[C@H]1[C@H](NCc2ccc(N3CCCCC3)cc2)C[C@H]2CC[C@H]1N2	1576588154	QWEIWHRUVDUAFX-RARDXLECSA-N	313.489	3.296	10	20	DGCD	
CN(CCCc1cccc(F)c1)c1ccc(OCC(=O)O)cc1	1598485255	OGGMWEAFJABRMS-UHFFFAOYSA-N	317.360	3.358	10	20	DGCD	
CC(C)C[C@@H](C(=O)O)N1CCCc2ccc(N(C)C)cc2C1	1776315732	IEIXWBZDWOPOKI-KRWDZBQOSA-N	304.434	3.000	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)c(F)c2)c1	157843290	YIBNHXKZPLYCQZ-SECBINFHSA-N	307.296	3.170	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc3ccccc3c2)c1	114540723	QPJFWJSOFOMBLR-UHFFFAOYSA-N	307.349	3.484	10	20	DGCD	
Oc1ccc(Cl)cc1CNc1ccc(-n2cncn2)c(F)c1	119868860	OBVIBBMFBHLZBL-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
Cc1csc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)n1	69168517	RAPUAQXTXWTPHX-CQSZACIVSA-N	317.458	3.139	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC(C1CC1)C1CC1	172698428	URRBQYUEQSEFCO-UHFFFAOYSA-N	311.429	3.051	10	20	DGCD	
C[C@@H](c1ccccc1F)N(C)Cc1cc2c(cc1O)OCO2	129734667	SUCSYARLRAZPIR-NSHDSACASA-N	303.333	3.453	10	20	DGCD	
COc1cc(N(C)Cc2cnn(C(C)C)c2)cc(OC)c1OC	180758644	MPCFVORYNONNJG-UHFFFAOYSA-N	319.405	3.126	10	20	DGCD	
CCCc1csc(NC(=O)NCc2ccc(N(C)C)cc2)n1	180676219	WBTHVJGZMOVVJF-UHFFFAOYSA-N	318.446	3.483	10	20	DGCD	
CCCNC(=O)c1cccc(NCc2cccc(OC)c2O)c1	121400102	YVTWCXPXXQOHNQ-UHFFFAOYSA-N	314.385	3.153	10	20	DGCD	
C[C@H](NC[C@H]1CCC(C)(C)O1)c1ccc(N2CCOCC2)cc1	187868919	CPGIAKYEWBANMJ-MAUKXSAKSA-N	318.461	3.131	10	20	DGCD	
CCN(CC)[C@@H](CNCc1cccc(C)c1O)c1ccco1	181256001	XISCLJSMOWDXNG-INIZCTEOSA-N	302.418	3.466	10	20	DGCD	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(O)c(O)c1	180789117	SRBCKDVDFHXUQJ-AYDRDCMWSA-N	301.386	3.291	10	20	DGCD	
COc1ccc2cc(C(=O)NCc3ccc(N(C)C)cc3)[nH]c2c1	46728543	DRMADBNZIJZUFI-UHFFFAOYSA-N	323.396	3.173	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CC[C@H](N2CCCC2)C1	92756248	ALIZMJQQQDARSO-FQEVSTJZSA-N	313.489	3.347	10	20	DGCD	
CN(C)c1ccc(CN(CCO)[C@@H]2CCc3ccccc32)cc1	93387375	HEQVVBZVNIEUPX-HXUWFJFHSA-N	310.441	3.234	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCCc2ccc(F)cc21	255891132	WDFHCKXYLARMJN-UTCJRWHESA-N	300.308	3.352	10	20	DGCD	
C[C@H](Cn1cccn1)N[C@H](C)c1cc(Br)ccc1O	273545496	ZHSJGCKUEKWUSO-GHMZBOCLSA-N	324.222	3.091	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2nnc3n2CCCCC3)c(O)c1C	273363607	DJRUMGLSNSMKQK-CQSZACIVSA-N	314.433	3.178	10	20	DGCD	
CC(C)N1CCC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1	273604900	SZXDLRBZOVLKPJ-UONOGXRCSA-N	321.421	3.071	10	20	DGCD	
C[C@@H](NCCOc1ncccc1F)c1ccc(N(C)C)cc1	271554740	VMUHKGWXIOHKBN-CYBMUJFWSA-N	303.381	3.016	10	20	DGCD	
C[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1	271512909	NILWQJZOCOHSLV-KDOFPFPSSA-N	316.420	3.146	10	20	DGCD	
COC[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccc(C)o1	294729584	WDZUVFZWHBOPKH-MRXNPFEDSA-N	302.418	3.440	10	20	DGCD	
Cc1cnn([C@@H]2CCN(Cc3c(O)ccc4ccccc34)C2)c1	290928690	ORRZCCRNTRDVSL-MRXNPFEDSA-N	307.397	3.497	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1occ2c1CCC2	802785466	UMSDUMNPSHJEQW-UHFFFAOYSA-N	311.381	3.283	10	20	DGCD	
CCc1nsc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)n1	819937052	YXZKYCAPEZTQIX-GFCCVEGCSA-N	318.446	3.048	10	20	DGCD	
CC(C)(C)[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1	816594506	GWULVUXGTMZMOV-CQSZACIVSA-N	301.789	3.432	10	20	DGCD	
O=C1NCc2ccc(NCc3cc(Cl)c(F)cc3O)cc21	816564141	VVQRVMACJPZRFH-UHFFFAOYSA-N	306.724	3.040	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]3CN(C)CC[C@@H]32)cc1Cl	825935507	WIDBZDOGJUHZRH-CJNGLKHVSA-N	308.853	3.270	10	20	DGCD	
O=C(NCCCSc1nccs1)c1cc2c([nH]1)CCCC2	823297835	IWJXDSRNSWGUBI-UHFFFAOYSA-N	321.471	3.262	10	20	DGCD	
Cc1ccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)s1	588406764	SPYOBVHHVWAQCY-YVMONPNESA-N	303.383	3.140	10	20	DGCD	
CCN(CC)c1ccc(CN(CCC(=O)O)C(C)C)cc1F	901980291	LUBSKWAMKHUBSO-UHFFFAOYSA-N	310.413	3.357	10	20	DGCD	
CC(C)O[C@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	838559112	KCUIDYXADAXMDZ-JLJPHGGASA-N	319.449	3.069	10	20	DGCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)[C@H](O)c1cccc(F)c1	834676473	UXZFJPWUQALSPV-GYOIFBIXSA-N	301.361	3.230	10	20	DGCD	
CS[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839920972	WCFKFILDXAFIIN-KGLIPLIRSA-N	308.491	3.250	10	20	DGCD	
CC[C@H](C)N(CC(=O)O)Cc1ccc(N2CCCCC2)cc1	840996659	GLNGYQCSJGLRBH-HNNXBMFYSA-N	304.434	3.362	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](NCc1ccc(N(C)C)cc1)C(=O)O	849230162	CGBKMBUSHVGMOX-KBXCAEBGSA-N	312.413	3.099	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1noc(-c2ccccc2)n1	843349703	JGABUTHWRTZVQM-UHFFFAOYSA-N	320.396	3.148	10	20	DGCD	
C[C@H]1CCCc2ncc(C(=O)NCc3cc(Cl)ccc3O)n21	846475294	BTHWQGUPQGSKHX-JTQLQIEISA-N	319.792	3.069	10	20	DGCD	
Cc1cc(CN2Cc3ccccc3[C@H](C(=O)O)C2)ccc1N(C)C	846270819	NRUOCNPFPIVCGC-GOSISDBHSA-N	324.424	3.245	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(CCCN)CC2CCCC2)c1O	843384841	CFLYMENRFAKKRG-UHFFFAOYSA-N	322.424	3.075	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CC[C@@H](C)O1	743415569	GHVXUIPWQCIRPW-PBHICJAKSA-N	304.434	3.025	10	20	DGCD	
COC(=O)[C@H](CC1CCCCC1)NCc1cccc(C)c1O	756147146	NKPWUVCMGGZZMG-INIZCTEOSA-N	305.418	3.302	10	20	DGCD	
CC(C)NCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	852797390	QTPABVYKYXNNAO-UHFFFAOYSA-N	317.477	3.070	10	20	DGCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)[C@H](c2ccccc2)CO1	754907761	PCOFYEPJLPPLKY-RISCZKNCSA-N	303.383	3.056	10	20	DGCD	
Cc1cc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)ccc1N(C)C	852035943	RGVUQNIBCOURBY-GJZGRUSLSA-N	318.383	3.098	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)c1	756656087	SXLRIMVJIVJYFE-ZBFHGGJFSA-N	316.445	3.142	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc[nH]c1C(C)C	935946017	TVTHCCIDSXIANC-UHFFFAOYSA-N	307.390	3.259	10	20	DGCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)NC2(CCCCC2)C1=O	761578793	LDWQBTHWOBHRCD-CYBMUJFWSA-N	315.417	3.068	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@](O)(c2ccccc2)C1	862483603	VGRCYZSFTILKAB-GOSISDBHSA-N	301.361	3.015	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C(C)(C)c2cccc(F)c2)c1	862759883	JVBDKBAGPKOOIT-UHFFFAOYSA-N	301.361	3.434	10	20	DGCD	
O=C1O[C@@H](CN(Cc2ccccc2O)C2CCCC2)CC12CC2	763693144	ZFHPFBZXESXKOA-MRXNPFEDSA-N	315.413	3.233	10	20	DGCD	
CC[C@H](C)[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(F)(F)F	769080277	AEKSQKCPFYJEKF-JVXZTZIISA-N	305.296	3.113	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(O)ccc2Cl)cc1	763955079	VAZQIVUDUUWFAL-UHFFFAOYSA-N	304.777	3.042	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C)[C@H](C)C1	766800479	MWLVYQXKTLVQTG-DZGCQCFKSA-N	303.450	3.249	10	20	DGCD	
CS[C@H](C)CCC(=O)NCc1c(O)ccc2c1CCCC2	773478068	YYCSVXYWZSLYPD-GFCCVEGCSA-N	307.459	3.419	10	20	DGCD	
COc1ccc(CNCCSC(C)C)cc1Cn1cccn1	873127186	ODOZKXSSYINYPU-UHFFFAOYSA-N	319.474	3.171	10	20	DGCD	
OC1CCN(c2ccc(CNCCCC3CCC3)cc2)CC1	877631913	XSSMEHMEDGZEOM-UHFFFAOYSA-N	302.462	3.318	10	20	DGCD	
CC(C)n1nccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775433303	ZXPZMUIVCLYIMP-CYBMUJFWSA-N	315.421	3.413	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cn(C)cc1C(F)(F)F	1116530532	PEXBYHAWTRKWAQ-UHFFFAOYSA-N	312.291	3.022	10	20	DGCD	
C[C@H](NC[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1cc2c(cc1O)CCCC2	873263814	KKAKNBHUFPJTMD-ZZCKCESHSA-N	314.473	3.452	10	20	DGCD	
C[C@H](NC[C@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1O	774377336	FZXDNWQJEAUJRY-SMDDNHRTSA-N	310.388	3.338	10	20	DGCD	
C[C@H](NC[C@@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1	772979834	XABGCZXBIISTJB-ZFWWWQNUSA-N	306.425	3.359	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@H]4CCC[C@@H]43)cc2)CC1	775660244	BAGCJBDZDROWFW-QUCCMNQESA-N	313.489	3.203	10	20	DGCD	
COc1cc(O)c(CNCC(C)(C)c2ccccc2)cc1OC	775978459	ZIGJXRIIYYTMMA-UHFFFAOYSA-N	315.413	3.477	10	20	DGCD	
COc1ccc(CN[C@@H]2CCCC(F)(F)C2)c(O)c1OC	893115051	ZKXOOSOTBQEBAE-LLVKDONJSA-N	301.333	3.077	10	20	DGCD	
COc1ccc(F)cc1CCNCc1cc(C)cc(OC)c1O	895803915	GQFHVXCZICVDFU-UHFFFAOYSA-N	319.376	3.189	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](N3CCCC3=O)C2)cc1C(C)C	790455279	ZCPWKNNDXGQTMS-INIZCTEOSA-N	316.445	3.021	10	20	DGCD	
CC[C@](C)(OC)C(=O)NCc1ccc(N2CCCCC2)cc1	795053909	YPKGYRYSAHWNBC-SFHVURJKSA-N	304.434	3.108	10	20	DGCD	
OCC[C@H](Cc1ccccc1)NCc1cc(Cl)cc(F)c1O	799739049	IEVVCGPFGRLDIB-OAHLLOKOSA-N	323.795	3.268	10	20	DGCD	
COC(=O)C(C)(C)CCNCc1cc(Cl)cc(Cl)c1O	796453137	DWOUZCMCLQWCIN-UHFFFAOYSA-N	320.216	3.378	10	20	DGCD	
Cc1ccccc1C[C@H](CO)NCc1ccc(N2CCCC2)cc1	1326143909	ALIDIFFWVJZJNS-HXUWFJFHSA-N	324.468	3.288	10	20	DGCD	
CC[C@@H](NC[C@H](CO)CC1CCOCC1)c1ccc(C)cc1O	1322454776	FKJGBCQFCXLRLC-SJLPKXTDSA-N	321.461	3.167	10	20	DGCD	
O[C@@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1	1339476285	VKXGEFDXWXWJFC-LJQANCHMSA-N	308.425	3.210	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1ccc(C(=O)O)o1	1609705247	IEHVVZPOABQNMK-UHFFFAOYSA-N	316.401	3.454	10	20	DGCD	
Oc1c(CNC[C@]2(C(F)(F)F)CCCN2)ccc2ccccc12	1580885576	FKEUOCNSXCAKGB-INIZCTEOSA-N	324.346	3.320	10	20	DGCD	
CC[C@@H](NCCn1ccnc1)c1cc(Br)ccc1O	41119164	RRNLDRJUTVIHND-CYBMUJFWSA-N	324.222	3.092	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCc3sccc3C2)c1O	50132349	KWABOWKYKCEIMH-UHFFFAOYSA-N	305.374	3.354	10	20	DGCD	
C[C@H](CNC(=O)N(C)Cc1ccccc1O)Cc1cccs1	74627365	JMWONLRXKOSVPR-ZDUSSCGKSA-N	318.442	3.474	10	20	DGCD	
COc1cccc(CN(Cc2ccco2)C[C@@H]2CCCO2)c1O	92436999	WXOBNPJGPHWOCB-INIZCTEOSA-N	317.385	3.175	10	20	DGCD	
COc1ccc(N(CC(=O)N2CCCC2)Cc2ccccc2)cc1	96982110	WFLHPADOWPCYSU-UHFFFAOYSA-N	324.424	3.324	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(F)c2)c1	103509356	NRGXAHVYHBARHI-NSHDSACASA-N	318.348	3.100	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cc(F)cc(Cl)c1	153197889	QXZKSEOBJHQRNL-UHFFFAOYSA-N	324.739	3.255	10	20	DGCD	
C/C(=C\C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1	172229711	DULCRNRYVJGRAP-GWKQRERASA-N	315.413	3.256	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCn3cccc3[C@H]2C)c1O	177236851	JHADCXPTKPDIRQ-LLVKDONJSA-N	302.349	3.112	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCc2ccc3[nH]ccc3c2)cc1	179587132	LXVJOGQWNPLKEH-UHFFFAOYSA-N	321.424	3.483	10	20	DGCD	
C[C@H](NCc1ccc(C(N)=O)cc1)c1cc2c(cc1O)CCCC2	184862245	PRJBVTZKDXMGRK-ZDUSSCGKSA-N	324.424	3.221	10	20	DGCD	
Cc1ccn(C)c1C(=O)N(Cc1ccco1)Cc1ccccc1O	190112949	NDFOAGLAXBWWCA-UHFFFAOYSA-N	324.380	3.475	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)Cc2ccccc2OC)c1	237206107	FLUOABFRTWFFFQ-CYBMUJFWSA-N	301.386	3.130	10	20	DGCD	
C[C@H](C(=O)O)[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1	277245771	JNYMAIGDQKYOEM-KSSFIOAISA-N	312.413	3.304	10	20	DGCD	
Cc1cccc(CN(C)CCCN(C)Cc2ccco2)c1O	289766720	KGGGSKFRRSMGDY-UHFFFAOYSA-N	302.418	3.248	10	20	DGCD	
CC[C@@H](N[C@H](C(=O)N(C)CC)C(C)C)c1ccc(C)cc1O	296537920	QUVLYPJSXSJCDI-WBVHZDCISA-N	306.450	3.244	10	20	DGCD	
O=C1NCCN1c1cccc(N[C@H]2CCc3cccc(O)c32)c1	296677695	GHAWRJVVTZLJND-HNNXBMFYSA-N	309.369	3.021	10	20	DGCD	
Cc1nc(N(C)Cc2ccccc2O)ccc1Br	302591615	AEYMWCQJSDVWIK-UHFFFAOYSA-N	307.191	3.495	10	20	DGCD	
C[C@@H]1[C@@H](NC(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1	393845028	CLTXCVYNUUYLAO-KDOFPFPSSA-N	324.428	3.053	10	20	DGCD	
COC1(CCNCc2ccc(Br)cc2O)CCC1	691475617	CBDPIRMFQAQDHZ-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
CCC[C@@H](O)CNCc1cc(Cl)cc(Br)c1O	708100878	XAWSPYHEXCNALX-SNVBAGLBSA-N	322.630	3.059	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCN(C3CCC3)CC2)c1	733296689	CMMWIRIJTYEMGY-UHFFFAOYSA-N	318.461	3.065	10	20	DGCD	
C[C@H]1C[C@@H](C)CN(C[C@H](C)NCc2ccc(N(C)C)c(F)c2)C1	733325272	HKVPUOXERXMMLD-XHSDSOJGSA-N	321.484	3.348	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc(C(=O)O)c1	737019992	BIEDTYZZEGMKHD-UHFFFAOYSA-N	313.353	3.143	10	20	DGCD	
Cc1cc(C(=O)CN(C)Cc2ccon2)c(C)n1-c1ccccc1	739932137	XJFPXKFRBLDUIR-UHFFFAOYSA-N	323.396	3.397	10	20	DGCD	
CC[C@H](C[C@@H](C)CO)NCc1cccc(Br)c1O	743499199	JJMGGZFPIOEQIX-ZYHUDNBSSA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(C(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1	743719493	CLRKJIJPQQLARD-UHFFFAOYSA-N	323.392	3.079	10	20	DGCD	
CN1CCc2cc(/C=C3\N=C(c4ccc(F)cc4)OC3=O)ccc21	751522657	HMFFQNUYKMYUOT-WJDWOHSUSA-N	322.339	3.163	10	20	DGCD	
C[C@@H]1C[C@H](NCCOc2cccnc2)c2c(O)ccc(F)c21	756570955	GWJSSXYAOHXGCL-RISCZKNCSA-N	302.349	3.143	10	20	DGCD	
CC[C@H]1CCCCN1CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756575325	PDTRORZJYHPYGG-KBPBESRZSA-N	321.421	3.216	10	20	DGCD	
COCc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	772998260	XGLQDKFHMHDHID-CQSZACIVSA-N	312.413	3.390	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H](c3nccn3C)C2)cc1	773895009	OZRGTFGIUKHHON-KRWDZBQOSA-N	312.461	3.256	10	20	DGCD	
CCC(CC)(CC(=O)OC)NCc1cc(Cl)cc(F)c1O	776222397	KPCCOSCWTILRIO-UHFFFAOYSA-N	317.788	3.396	10	20	DGCD	
COc1ccc(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)cc1C	776258486	YICWCMJDWJGNOB-MRXNPFEDSA-N	307.434	3.460	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1-n1cccc1	778920031	UEIIIGBHZGOJLB-UHFFFAOYSA-N	322.364	3.127	10	20	DGCD	
C[C@H](c1ccccc1)[C@H](CO)NCc1c(O)ccc(Cl)c1F	790966409	OJGXXLPPQSDWMW-ABAIWWIYSA-N	323.795	3.439	10	20	DGCD	
COc1ccc(CNCc2c(O)ccc(Cl)c2F)c(O)c1	793387294	CAGLYIZMQPNBJI-UHFFFAOYSA-N	311.740	3.189	10	20	DGCD	
Cc1n[nH]cc1C1CCN(Cc2c(O)cccc2Cl)CC1	793612276	SGOUGLDXOWBXPH-UHFFFAOYSA-N	305.809	3.457	10	20	DGCD	
C[S@@](=O)Cc1ccc(CNCc2cc(Cl)ccc2O)cc1	796526213	KKCKVNLTPVKSHO-OAQYLSRUSA-N	323.845	3.214	10	20	DGCD	
CN(C)c1ccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1F	811510697	NDUZHVXQCAPQFU-DLBZAZTESA-N	306.425	3.281	10	20	DGCD	
CCOCC(C)(C)NCc1cc(C)cc(Br)c1O	815147934	HVRDWLHQPONLOP-UHFFFAOYSA-N	316.239	3.368	10	20	DGCD	
Cc1nccnc1CCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	815651063	JCAPRSXHFWRGGE-IINYFYTJSA-N	301.365	3.010	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](O)C23CCCC3)cc1	816630967	ZDROPKNGNSMHDI-GOSISDBHSA-N	302.462	3.412	10	20	DGCD	
COc1cc(Cl)cc(CNCc2cc(C)nc(C)c2)c1O	817411629	STZOKZSNPBRIQT-UHFFFAOYSA-N	306.793	3.356	10	20	DGCD	
CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(OCC)cc1O	824862203	WWZXSLNKXGUFOB-CVEARBPZSA-N	321.417	3.002	10	20	DGCD	
Cc1cc(O)c(CNC2(C(=O)N(C)C)CCCCC2)cc1Cl	826049253	PGWUJPLFQIOIAT-UHFFFAOYSA-N	324.852	3.235	10	20	DGCD	
CCc1cc(=N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc[nH]1	827457568	AIXXKFFDXZZHNB-HNNXBMFYSA-N	311.429	3.076	10	20	DGCD	
CCCN(C)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C	827583859	MWJZMHFLZFLBNY-UHFFFAOYSA-N	303.381	3.153	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](c2ccccc2)C1	832826555	MGOPPJLMIFGAIU-CYBMUJFWSA-N	315.344	3.257	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836763466	WGWHUASLAGKRHG-BFYDXBDKSA-N	303.402	3.088	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CS[C@@H](C)C3)CC2)cc1	840856995	SXGJEFSRLVQKLW-ZFWWWQNUSA-N	306.475	3.148	10	20	DGCD	
C[C@@H](N[C@H](COC(=N)O)Cc1ccccc1)c1ccccc1O	840862783	IEXGTHVADSGDEB-HIFRSBDPSA-N	314.385	3.163	10	20	DGCD	
CNC(=O)c1ccc(C)c(NCc2ccc(N(C)C)cc2C)c1	840926662	QYRTXZVHEZUGEB-UHFFFAOYSA-N	311.429	3.341	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)c1n[nH]c(C(C)C)n1	840936308	JADADXQPZVDUDA-ZDUSSCGKSA-N	301.438	3.153	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cnn(C)c1Cl	840975219	DWAYVNPHBSOQIW-ZDUSSCGKSA-N	320.868	3.169	10	20	DGCD	
Cc1cccc([C@@H]2CCCN2C(=O)NCCc2ccc(N)cc2)n1	841960301	LJIDHWVIMTZDGE-SFHVURJKSA-N	324.428	3.061	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)CC2)cc1	850392979	PCEVYDKZVLJGJE-UVPINQTDSA-N	312.457	3.298	10	20	DGCD	
Cc1c(N)cccc1NC(=O)NCc1ccc2c(c1)CCCN2C	859728928	AIBLCIJGGMPBAR-UHFFFAOYSA-N	324.428	3.281	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)[C@@H](O)c2ccc(C)cc2)c1O	894747770	NOHPANYRAPBQDK-KBXCAEBGSA-N	315.413	3.229	10	20	DGCD	
COc1cc(Cl)cc(CNCC[C@@H]2CCCC[C@@H]2O)c1O	897536500	MAKYWMFOBGOSLL-FZMZJTMJSA-N	313.825	3.085	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCCc2cccnc21)c1ccccc1O	927382404	RORCHXWGMXAIDT-IUODEOHRSA-N	311.385	3.225	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc2c1OCC2	934706918	UJHGDMFJAZFQEM-UHFFFAOYSA-N	311.381	3.380	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCC[C@H]2NC(=O)C(C)C)cc1C	1036950367	UFVIHFCWWAGBRQ-DLBZAZTESA-N	318.461	3.034	10	20	DGCD	
CCCc1nc(C)c(C(=O)Nc2c(Cl)ccc3nonc23)o1	1117943532	DOTJJKSTHVHDEH-UHFFFAOYSA-N	320.736	3.377	10	20	DGCD	
COc1cc(C)cc(CNc2ccc(OC3COC3)cc2)c1O	1119447781	ASPJSJXTKCPYCA-UHFFFAOYSA-N	315.369	3.099	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(F)cc(F)c2)c(O)c1OC	1120040623	JAVPMZATMAJNGI-UHFFFAOYSA-N	323.339	3.320	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)C3=CCCCC3)CC2)cc1	1255475103	ZKXBRQCMNGDNJI-UHFFFAOYSA-N	314.429	3.234	10	20	DGCD	
C[C@H](CO)N(Cc1ccccc1)Cc1cccc(Cl)c1O	1319814935	ZMWCNNOUZDZLOC-CYBMUJFWSA-N	305.805	3.429	10	20	DGCD	
CN(Cc1cc2ccccc2[nH]1)C(=O)/C=C/c1ccc(O)c(O)c1	1320757236	VFGNBAOZEBTRMP-VQHVLOKHSA-N	322.364	3.251	10	20	DGCD	
C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1	1324916585	WSUKORYZLVOFTG-APWZRJJASA-N	302.462	3.412	10	20	DGCD	
CN(C)c1ccc(CN2Cc3ccc(C(=O)O)cc3C2)cc1F	1598318167	REECOMVQKYLLJE-UHFFFAOYSA-N	314.360	3.106	10	20	DGCD	
Cc1cc2ncn(C[C@H](O)CSc3nccs3)c2cc1C	52914744	YNODFUUOPSCYME-LBPRGKRZSA-N	319.455	3.263	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](CN3CCCCC3)C2)cc1C	172957381	FWUIZHJTIIIWRH-KRWDZBQOSA-N	302.462	3.317	10	20	DGCD	
CCOc1cc(CNCc2cc(C)ccc2O)ccc1OC	114505411	ZDXLGAIOZBYOCK-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
Cc1nc(CN2CCOc3cc(N(C)C)ccc32)sc1C	179271962	LWPBKUZYONAITR-UHFFFAOYSA-N	303.431	3.225	10	20	DGCD	
COc1cc(CN2CCC[C@@H](OC)C2)c(O)c(C(C)(C)C)c1	178886599	AJTWTLOHVHHZQC-CQSZACIVSA-N	307.434	3.309	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)c2cccc(Cl)c2)c1	305755135	AJHDLRMSHYTKFB-GTNSWQLSSA-N	321.804	3.438	10	20	DGCD	
COc1ccc(N2CCN(C/C(Cl)=C/Cl)CC2)cc1	121534950	KTTWERRICXQGFX-BENRWUELSA-N	301.217	3.136	10	20	DGCD	
Cc1ccc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)s1	76405019	XYGGYXWPTNEWAC-UHFFFAOYSA-N	317.458	3.464	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1O	184695849	RYDHCBMZDNAAAC-RISCZKNCSA-N	311.809	3.055	10	20	DGCD	
C[C@@H]1CCC[C@@]1(O)CNCc1ccc(N2CCCCC2)cc1	328182209	NPAOEOSPACUARE-VQIMIIECSA-N	302.462	3.318	10	20	DGCD	
CCCNC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1	131704402	UMQQAMLCTDDCBK-MRXNPFEDSA-N	317.477	3.023	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c(O)c1	92073229	RTRUQOYYWKWMAO-OAHLLOKOSA-N	315.417	3.284	10	20	DGCD	
CCOc1cccc2c1OCC(C(=O)Nc1ccc(N)cc1)=C2	236982818	YYQLRRPXFGOSGW-UHFFFAOYSA-N	310.353	3.082	10	20	DGCD	
Cc1ccc([C@@H]2COCCN2Cc2cc(C)c(C)cc2O)o1	93459789	SDZRAKLMHJDSEM-INIZCTEOSA-N	301.386	3.484	10	20	DGCD	
CCc1cccc2c1OCC[C@H]2NC(=O)Cc1ccc(N)cc1	269210260	BUIDTBLAYCGVIB-QGZVFWFLSA-N	310.397	3.014	10	20	DGCD	
CC[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O	274736609	DHTWYJNTNPULFB-NVXWUHKLSA-N	303.377	3.176	10	20	DGCD	
COc1ccc(N2CCC(NCC3(SC)CC3)CC2)cc1	365506193	UGIONWXWNUGHAD-UHFFFAOYSA-N	306.475	3.149	10	20	DGCD	
C[C@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1ccccc1O	272805511	BZUTUJHKETZXOI-ZFWWWQNUSA-N	303.377	3.033	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)NCc2cc(C)c(C)cc2O)n[nH]1	277469715	RJIOPGFPZOLFKN-GXFFZTMASA-N	302.422	3.491	10	20	DGCD	
C[C@@H](NCCC1(O)CCC1)c1cc(Br)ccc1O	284226675	DCWCIEOZWCTJHM-SNVBAGLBSA-N	314.223	3.110	10	20	DGCD	
CN1CC[C@@]2(CCN(Cc3ccc(N4CCCCC4)cc3)C2)C1	292796231	MZYKIQVCPIWSRG-HXUWFJFHSA-N	313.489	3.205	10	20	DGCD	
C[C@@H](N[C@H]1CC[C@@H](CO)C1)c1ccc(N2CCCCC2)cc1	296590644	UZKYCWNSJYBBQX-NUJGCVRESA-N	302.462	3.489	10	20	DGCD	
CC(C)(C)n1nc(C(=O)NCc2ccc(N)cc2)cc1C1CC1	297260703	RORRKXLBNLPHPK-UHFFFAOYSA-N	312.417	3.028	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cc(F)cc(F)c1	817938567	NGKWQHKPIXQQLN-XIKOKIGWSA-N	319.399	3.381	10	20	DGCD	
CC[C@H](N[C@@H](C)CCCN)c1cc(Br)ccc1O	817977884	RCNHNYAHBCUSQA-GWCFXTLKSA-N	315.255	3.323	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC[C@@H]3CNC[C@H]3C2)c1O	817985689	GYHNMPYSLSBXPV-KYEXWDHISA-N	308.853	3.393	10	20	DGCD	
O=[N+]([O-])c1ccccc1CCNCc1cc(Cl)c(F)cc1O	816553634	BUJXETJPUQPTFQ-UHFFFAOYSA-N	324.739	3.425	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)c3ccccn3)C2)cc1	818342163	MTNOLWYJYDTTHG-HOTGVXAUSA-N	311.429	3.267	10	20	DGCD	
COc1cc(O)c(CN2CC[C@@H](C3CCCC3)C2)cc1OC	817371383	WOUIBYUYCZYZTP-CQSZACIVSA-N	305.418	3.422	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCCNc3ccccc32)cc1	817944337	ZIAJYPZQWCDBEU-QUCCMNQESA-N	324.472	3.289	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)c3ccccn3)C2)cc1	818342164	MTNOLWYJYDTTHG-HZPDHXFCSA-N	311.429	3.267	10	20	DGCD	
C[C@H](NCC(F)(F)CN)c1ccc(N2CCCCCC2)cc1	817965826	CPLWEXUMTJCNSG-AWEZNQCLSA-N	311.420	3.312	10	20	DGCD	
CCN(CC)c1ccc(CNCCCC2(O)CCC2)cc1F	817415018	RCBHNAFQSZNHLY-UHFFFAOYSA-N	308.441	3.457	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)CC(=O)N[C@H](C)c1ccccc1O	827940704	IDUGTBSOADJPEN-WDEREUQCSA-N	302.374	3.368	10	20	DGCD	
CC(C)[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCO1	823986250	IQDXLJVQAKNHQA-XHDPSFHLSA-N	311.809	3.113	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)/C=C(/C)c2cnccn2)cc1	825327101	RBUAWHIHEBIOCP-QINSGFPZSA-N	324.428	3.043	10	20	DGCD	
CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ccccc1O	827937156	MEVNQPFMLRAONI-SNVBAGLBSA-N	321.808	3.394	10	20	DGCD	
CCC[C@@H](CNCc1cc(Br)cc(C)c1O)OC	824543836	QJKMTFIBDZJERU-ZDUSSCGKSA-N	316.239	3.368	10	20	DGCD	
CCn1nc(C)c(CSc2ncc(-c3ccccc3)n2C)n1	828808127	GKLKYVGZRPKPJP-UHFFFAOYSA-N	313.430	3.299	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1cccc(F)c1)c1c(O)cccc1F	903310562	ZJHORLBYZAUXGK-DIFFPNOSSA-N	307.340	3.229	10	20	DGCD	
Cc1[nH]c(C(=O)Nc2ccc(N)cc2)c(C)c1C(=O)OC(C)C	832249857	DTDBXSJCEZIHMA-UHFFFAOYSA-N	315.373	3.031	10	20	DGCD	
Cc1cc(CN2C[C@H](O)C[C@@H]2c2ccccc2)ccc1N(C)C	839638307	ZMWCKTOKFRDRGB-UYAOXDASSA-N	310.441	3.369	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](C(C)(C)C(=O)O)C2)cc1F	901523786	YRSHIYRPVCVQPD-AWEZNQCLSA-N	322.424	3.215	10	20	DGCD	
CCOc1ccc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c(O)c1	830074937	AJJJYQSEDJLFAO-WQVCFCJDSA-N	319.401	3.009	10	20	DGCD	
CC[C@H](N[C@H](C)Cc1cnn(C)c1)c1cc(Cl)ccc1O	834895945	FROBXCYKNKOHQS-ABAIWWIYSA-N	307.825	3.451	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCC1CC1	840310538	LKAZKQHZZOTNAJ-AWEZNQCLSA-N	303.450	3.091	10	20	DGCD	
C[C@@H](NCc1ncccc1N(C)C)c1ccc(Cl)cc1O	841752825	CKIVUSQEQAVYJQ-LLVKDONJSA-N	305.809	3.357	10	20	DGCD	
CC1(C)C[C@]1(C(=O)NCc1ccc(O)cc1O)c1ccccc1	910943884	PUWVCAVRLFNRBS-LJQANCHMSA-N	311.381	3.082	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H]3C[C@H](C)O[C@@H]3C)CC2)cc1	840872326	KNKZXJBVEMUSHJ-XHSDSOJGSA-N	318.461	3.067	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1	745819503	DXSIMCAQQYGRHD-VNHYZAJKSA-N	318.417	3.169	10	20	DGCD	
CCOCc1cc(CN[C@@H](CN)C2CCCCC2)ccc1OC	841039480	QWJJLNDGTJTUCS-SFHVURJKSA-N	320.477	3.229	10	20	DGCD	
COc1cccc([C@H](C)NCCOc2ncccc2Cl)c1O	846153489	IUJHCLOXGSRYEE-NSHDSACASA-N	322.792	3.179	10	20	DGCD	
CCC(O)(CC)CNC(=O)c1sccc1-n1c(C)ccc1C	743712313	GEPLWYGIRFIJDS-UHFFFAOYSA-N	320.458	3.437	10	20	DGCD	
CCOc1ccc(CN[C@H](CCCN)c2ccccc2)c(O)c1	841087838	VTHGNVLWEUUAQX-GOSISDBHSA-N	314.429	3.361	10	20	DGCD	
c1nc(NCc2ccc(N3CCCC3)cc2)cc(NC2CC2)n1	840244198	REHXWZBZWDVTNI-UHFFFAOYSA-N	309.417	3.263	10	20	DGCD	
Cc1cc(C)cc([C@H](NCc2ccc3c(c2)CCO3)C(=O)O)c1	756389886	SMSNQXLSUNCRGE-SFHVURJKSA-N	311.381	3.154	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1CC(F)(F)F)c1ccccc1O	926925726	KVIFPLPBEMQZKD-NWDGAFQWSA-N	302.340	3.070	10	20	DGCD	
CC/C=C(\C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	920881317	SZBKSBMBIHSHBO-JVDKPVQESA-N	302.418	3.057	10	20	DGCD	
CC(=O)N(C)c1ccc(CN[C@@H](C)c2ccc(F)cc2O)cc1	858495786	KEOBONIMZYMZCF-LBPRGKRZSA-N	316.376	3.365	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(OC)c2)c1	756796576	RNULPPXQKDYILS-NSHDSACASA-N	301.342	3.361	10	20	DGCD	
CC[C@@H](C)CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856213385	JOGMZSACUYEBJG-OAHLLOKOSA-N	318.461	3.090	10	20	DGCD	
Cc1ccccc1OCCCOC(=O)c1cccc(O)c1O	758570871	BFAFDNZMZWCCAR-UHFFFAOYSA-N	302.326	3.032	10	20	DGCD	
C[C@@H](NC[C@@H](C)N(C)C)c1ccc(N2CCCCC2)c(F)c1	765776976	XZFYCNKPWWERSI-HUUCEWRRSA-N	307.457	3.417	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCCC[C@H]2c2cc[nH]n2)cc1F	862363124	JJLCCWMAMXXFAA-INIZCTEOSA-N	320.387	3.481	10	20	DGCD	
O=C(COC1CCCCC1)Nc1c(Cl)ccc2nonc12	1116836691	GXVOLUVFBWYMKF-UHFFFAOYSA-N	309.753	3.164	10	20	DGCD	
COc1cc(O)c(CN(Cc2ccc(C)o2)C2CC2)cc1OC	775649335	OJLMDYGWGADWHC-UHFFFAOYSA-N	317.385	3.475	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776931488	SBWDLUCQONCPCO-PRDAAYKISA-N	315.442	3.408	10	20	DGCD	
CC[C@H](N[C@H]1CCC[C@H]1C(=O)NC)c1cc(Cl)ccc1O	775524712	GVFLPOKBEUGFIE-XBFCOCLRSA-N	310.825	3.001	10	20	DGCD	
CCC(C)(C)NC(=S)NCc1ccc(N2CCCC2)cc1	774165963	RWUZQCWOMKCCNQ-UHFFFAOYSA-N	305.491	3.440	10	20	DGCD	
COc1ccc(OC2CCN(Cc3ccccc3O)CC2)cc1	778997070	ZXCZIEGKHFARPB-UHFFFAOYSA-N	313.397	3.444	10	20	DGCD	
C[C@H](NCCC(=O)NC1CCCCC1)c1c(O)cccc1F	886508551	DPHBTLTUURYHPR-LBPRGKRZSA-N	308.397	3.021	10	20	DGCD	
C[C@@H](NCC[C@@](C)(O)c1ccccc1)c1c(O)cccc1F	886594076	FRXQXWLICOLHKX-FZKQIMNGSA-N	303.377	3.480	10	20	DGCD	
CC[C@]1(C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	785585953	SQQLQOWJIUELFM-KBXCAEBGSA-N	319.449	3.024	10	20	DGCD	
CCC(=O)N1CCc2ccc(NC(=O)c3cc(O)cs3)cc21	888683147	ZKAMWUPGNANBGN-UHFFFAOYSA-N	316.382	3.005	10	20	DGCD	
Cc1ccc(C(=O)N(C)C2C3CC4CC(C3)CC2C4)c(O)c1O	780886652	CJFKQDTVOUPVEC-UHFFFAOYSA-N	315.413	3.303	10	20	DGCD	
COc1ccc(N(C)Cc2cnn(C3CCC3)c2)cc1OC	893572363	GOTJTWFNWSDUAD-UHFFFAOYSA-N	301.390	3.262	10	20	DGCD	
C/C=C(/C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@H]1C	986131444	DBTGGBXBCOKTKA-NWKGZZRFSA-N	316.445	3.049	10	20	DGCD	
Cc1ccc(O[C@H]2CCN(Cc3cccc(Cl)c3O)C2)nc1	1231913254	JVUQLOVHNLNLKE-AWEZNQCLSA-N	318.804	3.402	10	20	DGCD	
CC[C@H](C)[C@@H](C)C(=O)NCCCNCc1ccc(OC)c(C)c1	1169401277	RSSQEIZTZRSMJJ-GOEBONIOSA-N	320.477	3.282	10	20	DGCD	
C[C@H](NC[C@H](C)CC1(C)OCCO1)c1ccc(N(C)C)cc1	715951567	DYKRTXZCZBCPIQ-CABCVRRESA-N	306.450	3.192	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NOCC(C)C)cc1	1253457606	SRYZBNSGAPNKCZ-UHFFFAOYSA-N	307.438	3.262	10	20	DGCD	
c1ccn(-c2ccc(-c3nc([C@H]4CN5CCC4CC5)no3)cc2)c1	1342544106	FHTLGBRQSCCTJD-KRWDZBQOSA-N	320.396	3.337	10	20	DGCD	
COc1cccc(CNc2cccc([C@@H](C)C(=O)O)c2)c1O	1599675690	SESXSMQTENPSDW-LLVKDONJSA-N	301.342	3.201	10	20	DGCD	
Cc1nn(C)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O	158732566	MXNZNOZGTGQFND-MDWZMJQESA-N	315.423	3.134	10	20	DGCD	
CO[C@@H](C1CC1)[C@@H](C)NCc1ccc(Br)cc1O	701120000	WDMNQOLEHOSCBE-YMTOWFKASA-N	314.223	3.058	10	20	DGCD	
CN(C)c1ccc(CNCc2ccncc2Br)cc1	703788096	QQQHAIISRUCGSG-UHFFFAOYSA-N	320.234	3.200	10	20	DGCD	
CCCOc1ccc(CNC[C@@H](c2ccco2)N(C)C)c(O)c1	101589049	BRBKBMYOEZNMRX-INIZCTEOSA-N	318.417	3.167	10	20	DGCD	
Cn1cccc1C(=O)CN(Cc1ccco1)Cc1ccccc1O	109761313	ZQMRVJYVCDFIDE-UHFFFAOYSA-N	324.380	3.209	10	20	DGCD	
COc1cc(C)cc(CN2CCc3cc(F)ccc3C2)c1O	119071944	GSSIKZGCHFGIGW-UHFFFAOYSA-N	301.361	3.407	10	20	DGCD	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)s1	179485870	BICAIUDSZFLONO-JTQLQIEISA-N	320.414	3.313	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1c(C)nn(C)c1Cl	170748511	OADGDCASUPAJOS-UHFFFAOYSA-N	320.868	3.470	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)COC2	64655794	LOHQGNIVTXSJQC-UHFFFAOYSA-N	324.424	3.445	10	20	DGCD	
C[C@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1	123894738	QZRRAOBLIYCMKJ-YOEHRIQHSA-N	301.434	3.299	10	20	DGCD	
C1=C[C@H]2CC[C@H]1C[C@H]2CNCc1ccc(N2CCOCC2)cc1	402803772	ZOEQMZSJUIMDMZ-WDSOQIARSA-N	312.457	3.215	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@@H](C)c2cc(C)ccc2O)cc1	185027413	KKOKJSOMKMSEPQ-AWEZNQCLSA-N	312.413	3.301	10	20	DGCD	
CC[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	75225488	UEMBUYZOXSEBQK-SFHVURJKSA-N	318.392	3.124	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc([S@@](C)=O)cc2)c(O)c1	186095063	QYQJSNFNMIVIEY-YEJXKQKISA-N	303.427	3.289	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCN(C(C)(C)C)CC2)c1O	315323281	LRZXNMWDKGBCNF-UHFFFAOYSA-N	324.852	3.164	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCCN(C)CC(F)(F)F)c1	185026784	XURUTKKASUEHHG-LBPRGKRZSA-N	304.356	3.235	10	20	DGCD	
C[C@@H](NCCCO[C@H]1CCOC1)c1cc2c(cc1O)CCCC2	185705011	JEKUMYOJWRXXTJ-PBHICJAKSA-N	319.445	3.117	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c(O)c1O	182453010	ZPJFBVKAUSVANG-UKRRQHHQSA-N	311.381	3.424	10	20	DGCD	
C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CCO1	182971847	FJNRAFXBADWDQD-HNNXBMFYSA-N	313.397	3.192	10	20	DGCD	
CN(C)c1ccc(CNCc2cc(COC(C)(C)C)on2)cc1	186427289	XUORCLVDDZBKNH-UHFFFAOYSA-N	317.433	3.346	10	20	DGCD	
Cc1cccc(C2=CCN(C(=O)c3cccc(O)c3O)CC2)c1	193151944	APNHRPHNLXXKRB-UHFFFAOYSA-N	309.365	3.336	10	20	DGCD	
CCN(Cc1ccccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	93338737	UMFFVURFRXEBSS-UHFFFAOYSA-N	321.764	3.371	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2CSC[C@H]2C)n(C)c2ccccc12	346315765	IPXGXFGNMOYXTD-BXUZGUMPSA-N	317.458	3.037	10	20	DGCD	
Cc1nc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cs1	264659547	YNLQKNRGNDAHLV-ZDUSSCGKSA-N	317.458	3.139	10	20	DGCD	
CCOc1nnc(CN(C)c2ccc(OC(C)C)cc2)s1	277177972	LBDWKCYCBVYRDM-UHFFFAOYSA-N	307.419	3.360	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCC1CC1	271282736	QVFOKXAKIZKMFA-UHFFFAOYSA-N	324.490	3.093	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@H](N(C)C)CC2)c(O)c1	277625336	XIPOIFMBVCJDFH-INIZCTEOSA-N	306.450	3.097	10	20	DGCD	
Cc1cccc(CN2CCC(Oc3ncccc3F)CC2)c1O	278276717	PMLADQPZKQAJST-UHFFFAOYSA-N	316.376	3.278	10	20	DGCD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(O)c(O)c1	272278849	FJFSFWRADPHGRY-QEORTHHSSA-N	321.417	3.088	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2c(C)cc(C)cc2O)[C@]12CCCO2	285394044	WVUFQYIHZVLISX-NOCIGQNYSA-N	319.445	3.386	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CCC34CCC4)cc2F)CC1	282253211	QMCFPUKMYUKTHG-GOSISDBHSA-N	318.436	3.209	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)NC1CCCC1	801596564	FTBKXTMPFAFTGK-HNNXBMFYSA-N	318.461	3.442	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H](C)Cc2cnccn2)c1O	808683410	FPUCSVFKHVHZOW-VXGBXAGGSA-N	305.809	3.426	10	20	DGCD	
COCCOCc1ccc(CNCc2cccc(C)c2O)cc1	291038574	KHFDNKVHTZEVAU-UHFFFAOYSA-N	315.413	3.153	10	20	DGCD	
COC(=O)c1cnc(SCCc2scnc2C)s1	295315530	NPSPWCGDYNWAPP-UHFFFAOYSA-N	300.430	3.029	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1cccc(C(N)=O)c1	390293179	IMFLVYZADIMMAV-WFASDCNBSA-N	310.397	3.138	10	20	DGCD	
Cn1c(O)nc2ccc(NCc3cc(Cl)c(F)cc3O)cc21	816599784	YOJWDIZQSYJADQ-UHFFFAOYSA-N	321.739	3.389	10	20	DGCD	
Cc1nsc(C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	814125324	YIGDDYIXRZURSV-JTQLQIEISA-N	303.431	3.317	10	20	DGCD	
CC[C@H](N[C@@H]1CCCNC1)c1ccc(Cl)c(Cl)c1O	817940847	LGBILDZLUCIXJL-SKDRFNHKSA-N	303.233	3.492	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)c3ccncc3)C2)cc1	818115752	CKOGOACPBLAUBU-JKSUJKDBSA-N	311.429	3.267	10	20	DGCD	
CC(C)[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCCO1	816675154	UEMVGNJHGBXSJE-CQSZACIVSA-N	301.789	3.432	10	20	DGCD	
COC(=O)c1ccc(CNCc2cc(Cl)c(C)cc2O)o1	825916213	KPGKKILZLNIVFE-UHFFFAOYSA-N	309.749	3.023	10	20	DGCD	
Cc1cc(C(=O)CN2CCC[C@H]2C)c(C)n1-c1ccc(F)cn1	827944414	FBLYELIGLHERBK-GFCCVEGCSA-N	315.392	3.295	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c2nccc-2c1	825461119	RENZPHJCXRBGGQ-UHFFFAOYSA-N	322.412	3.243	10	20	DGCD	
CC[C@H](CO)N(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C	833336924	JSHNBZBBRBGOKF-MRXNPFEDSA-N	314.429	3.245	10	20	DGCD	
COc1cccc2c1OCC[C@@H]2NCc1ccc(N(C)C)cc1	733332144	OMIRIORQIUJAKN-KRWDZBQOSA-N	312.413	3.375	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](O)Cc2cccc(F)c2)c1	834828801	ZYDMKXFTEUBGKP-BBRMVZONSA-N	303.377	3.094	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc(Br)c(F)cc1O)[C@H](C)O	834888216	NPWQBHLFDAOASN-LWINAJNOSA-N	320.202	3.104	10	20	DGCD	
Cc1cc(NC(=O)c2cc(O)cs2)n(Cc2ccccc2)n1	732276774	QJQFWEHSKYAOOH-UHFFFAOYSA-N	313.382	3.259	10	20	DGCD	
CCN(C(=O)/C=C\c1cnc(C)s1)c1ccccc1C(=O)O	737053367	SIOPZVNXQSFOFZ-HJWRWDBZSA-N	316.382	3.216	10	20	DGCD	
O=C(NCc1ccc(N2CCSCC2)cc1)OC1CCCC1	830056358	CVMZOQPUYIIWOU-UHFFFAOYSA-N	320.458	3.409	10	20	DGCD	
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1	912771846	WXTIEEGYNPCTLT-UHFFFAOYSA-N	324.340	3.082	10	20	DGCD	
CCN(CC)c1ccc(CNC2CCC(C)(O)CC2)cc1F	749296514	PELOIXHFSHTPRI-UHFFFAOYSA-N	308.441	3.455	10	20	DGCD	
CCN(C(C)=O)c1ccc(NCc2cc(C)c(C)cc2O)cn1	849347066	PKTOEQRFVXIKHL-UHFFFAOYSA-N	313.401	3.389	10	20	DGCD	
CCc1cccc(CNCc2cnn(CC(F)(F)F)c2)c1O	848899595	QJJSFAGBKLRTFK-UHFFFAOYSA-N	313.323	3.003	10	20	DGCD	
C[C@H]1CCc2c(C(=O)NCc3ccc(O)cc3O)csc2C1	910952038	PZWODGXUWLTZTG-JTQLQIEISA-N	317.410	3.214	10	20	DGCD	
COCC[C@@H](Cc1ccco1)NCc1ccc(N(C)C)cc1C	840938094	XKVPYKGALCNBBM-KRWDZBQOSA-N	316.445	3.391	10	20	DGCD	
CCc1nnc(-c2cccc(NC(=O)c3cc(O)cs3)c2)o1	743815183	FENLHYXCMMVYNS-UHFFFAOYSA-N	315.354	3.318	10	20	DGCD	
Cc1ccc(CCCNC(=O)NCc2ccccc2O)c(C)c1	748463554	WFZHEACZXNXSMX-UHFFFAOYSA-N	312.413	3.441	10	20	DGCD	
CCc1ccc(C)nc1NCc1ccc(N2CCOCC2)cc1	849347495	LHTBRFHHGWANNG-UHFFFAOYSA-N	311.429	3.401	10	20	DGCD	
CC(C)NC(=O)[C@H](C)NCc1cc(-c2ccccc2)ccc1O	840974723	NPASRXNIHKVXJF-AWEZNQCLSA-N	312.413	3.062	10	20	DGCD	
COc1cccc([C@H](C)NCc2cccc(CN(C)C)c2)c1O	846138713	MXRDPCZAXAORPH-AWEZNQCLSA-N	314.429	3.313	10	20	DGCD	
OC1CCN(c2ccc(CNc3nc4ccccc4[nH]3)cc2)CC1	853956142	RTGSDWJACYLOEQ-UHFFFAOYSA-N	322.412	3.136	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)c1ccc(C)nn1	853452131	QZBFUJFVSCQNQX-UHFFFAOYSA-N	322.206	3.280	10	20	DGCD	
Oc1cccc(Br)c1CNc1nc(C2CC2)no1	865290208	ARPIJVQEIWPLPC-UHFFFAOYSA-N	310.151	3.027	10	20	DGCD	
CCc1cccc(CN[C@H](c2cnn(C)c2)C(F)(F)F)c1O	862365269	NZUCMWYUPCRXEZ-CQSZACIVSA-N	313.323	3.081	10	20	DGCD	
C[C@H](CCc1ccc(F)cc1)C(=O)NCc1ccccc1O	866754740	DDAYJDAWGSCXPZ-CYBMUJFWSA-N	301.361	3.416	10	20	DGCD	
Cc1nc2c(c(N[C@@H](C)Cc3ccc(O)c(O)c3)n1)CCCC2	762800620	UDMQCTSQEPCDIE-NSHDSACASA-N	313.401	3.118	10	20	DGCD	
Cc1cc(Br)c(O)c(CNCc2conc2C)c1	865679037	VBGOMUXNJQGTPG-UHFFFAOYSA-N	311.179	3.049	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1c[nH]cc1-c1ccccc1	762267784	RDMJZJWMNNLYOG-UHFFFAOYSA-N	322.364	3.065	10	20	DGCD	
CCOc1ccc(CN(C)Cc2ccc(OC)c(O)c2)c(O)c1	769018667	XAZMPIANILIZAE-UHFFFAOYSA-N	317.385	3.137	10	20	DGCD	
COc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1Cn1cccn1	873131997	CATQGESRXOCBGP-IAGOWNOFSA-N	317.408	3.310	10	20	DGCD	
CCCOc1ccc(CNCc2cccc(C(N)=O)c2)cc1C	873009464	ZOHDVEOTQJOGOG-UHFFFAOYSA-N	312.413	3.173	10	20	DGCD	
CN1CCN(c2ccc(CN(C)CC(C)(C)C)cc2F)CC1	1116440512	KKLFBKOSEGFNOR-UHFFFAOYSA-N	307.457	3.055	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2cc(Cl)cc(F)c2O)C[C@H]1C	775716686	ZTODSCGMCCKIFV-RISCZKNCSA-N	314.832	3.489	10	20	DGCD	
C[C@H](NC(=O)N(C)C[C@H]1CCCCO1)c1ccc(N(C)C)cc1	773622696	RWOCTDWUXQOEOH-WMLDXEAASA-N	319.449	3.024	10	20	DGCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)cc1)c1ccc(N(C)C)cc1	775402566	HFWAMNOHLBZFON-CNTYAEFGSA-N	310.397	3.349	10	20	DGCD	
C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1c(O)cccc1F	886574030	KSNKKPDRBRGGIF-NSHDSACASA-N	323.389	3.249	10	20	DGCD	
CN(C)c1ccc([C@@H](CN[C@@H]2CCc3cccnc32)N(C)C)cc1	898447963	NSTYPHIBJPUJMP-RTBURBONSA-N	324.472	3.027	10	20	DGCD	
C[C@@H](NCc1ccc(C[S@](C)=O)cc1)c1ccccc1O	797132151	KQPPVOSFQDDIGI-ASSNKEHSSA-N	303.427	3.122	10	20	DGCD	
COc1ccc(CNC2CCN(C(=O)C=C(C)C)CC2)cc1C	989886540	IXNUEZMAPKUQOZ-UHFFFAOYSA-N	316.445	3.050	10	20	DGCD	
CO[C@H]1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O	1337237840	RVYZFQPBLRVBSH-JQWIXIFHSA-N	318.200	3.130	10	20	DGCD	
C[C@@H](N[C@H]1CC=C(C(=O)O)C1)c1cc2c(cc1O)CCCC2	1604329402	JYLNOBUGRXTSFO-ABAIWWIYSA-N	301.386	3.095	10	20	DGCD	
C[C@@H](NC(=O)Nc1cc(C(=O)O)cs1)c1ccccc1O	1607422186	LYHNUSPMAAGIIX-MRVPVSSYSA-N	306.343	3.035	10	20	DGCD	
O=C(O)[C@H]1C[C@@H](NCc2cc(F)cc(F)c2O)c2ccccc21	1574650446	RRERBUHPHNXYLG-DZGCQCFKSA-N	319.307	3.073	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2ccc(C(=O)O)c(C)c2)c1	1574374758	AJTQWINTGPHICK-UHFFFAOYSA-N	314.341	3.029	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C)c(C(=O)O)c2)cc1OC	1599584508	VMQZBTMYKCCCGW-UHFFFAOYSA-N	315.369	3.347	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1cc(F)cc(F)c1	158800846	DXRNBAJZEYERQV-MDWZMJQESA-N	308.353	3.421	10	20	DGCD	
Nc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1	269121251	JXOPFNODYOXNBF-UHFFFAOYSA-N	309.413	3.120	10	20	DGCD	
CCC[C@H](O)CNCc1cc(Cl)cc(Br)c1O	708100874	XAWSPYHEXCNALX-JTQLQIEISA-N	322.630	3.059	10	20	DGCD	
CN(C)c1ccc(CNC(=S)Nc2ccccc2F)cc1	7371573	GRDSWAORTMDUNO-UHFFFAOYSA-N	303.406	3.378	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@H]2CC[C@@H](C)O2)cc1	175529150	AIOXMBSMLLRUGN-CRAIPNDOSA-N	318.461	3.497	10	20	DGCD	
Cc1cnccc1NC(=O)NCc1ccc(N2CCCC2)cc1	179848643	OJKSFGSVFKXMLP-UHFFFAOYSA-N	310.401	3.312	10	20	DGCD	
CC[C@@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CCS1	317145309	IAPRPWZIBLABTO-TXNVCOODSA-N	322.386	3.024	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC=CCC1	121296265	RYAIEXLTJCLOQH-QGZVFWFLSA-N	300.446	3.311	10	20	DGCD	
O=C(N[C@@H]1CCSc2ccccc21)c1cccc(O)c1O	186785463	QYZXYPZSCMXEOR-GFCCVEGCSA-N	301.367	3.065	10	20	DGCD	
CCc1ccc([C@@H](C)C(=O)NCCc2ccc(O)c(O)c2)cc1	122627893	NOJAFGJCWKCHGX-CYBMUJFWSA-N	313.397	3.123	10	20	DGCD	
COC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCCC1	185711676	YHASDQQOXSSHFG-UHFFFAOYSA-N	316.445	3.252	10	20	DGCD	
O=C1CC[C@H]2CN(C(=O)/C=C/c3cncc(F)c3)c3cccc1c32	184365824	XAVUPNLKJOZRNV-LVDDQXARSA-N	322.339	3.341	10	20	DGCD	
C[C@H](N[C@H](C)CO[C@H]1CCOC1)c1cc2c(cc1O)CCCC2	185673686	CFHCFJITWLJPTD-KEYYUXOJSA-N	319.445	3.116	10	20	DGCD	
C[C@@H]1CCCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	424706960	ZSMVFJOIAOMXBX-UKRRQHHQSA-N	302.418	3.304	10	20	DGCD	
O=C(CC1CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	266369642	INAXKVKGXXIPQM-ZDUSSCGKSA-N	324.371	3.173	10	20	DGCD	
Cc1cc(Sc2ncc(C(C)(C)C)s2)n2ncnc2n1	268293262	DZHUNEBVKXWGTF-UHFFFAOYSA-N	305.432	3.338	10	20	DGCD	
Cc1cc(C(=O)N(C)CC[C@H](C)O)c(C)n1-c1ccc(F)cc1	267233480	RVJRVXFGQAOAJB-ZDUSSCGKSA-N	318.392	3.076	10	20	DGCD	
CCC[C@@H](C)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	265978014	WGQDMBPBTCUCMR-OAHLLOKOSA-N	301.434	3.393	10	20	DGCD	
CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(C)c2)C1	283199373	GIIXMBMBVIJUKM-OZSKJFCKSA-N	308.381	3.008	10	20	DGCD	
C1=C(c2c[nH]c3ncccc23)CCN(c2cc3c(nn2)CCC3)C1	621742799	SXJJLDLFRSASOG-UHFFFAOYSA-N	317.396	3.135	10	20	DGCD	
Cc1nn(C(C)C)cc1/C=C1/SC(N2CCCCC2)=NC1=O	281081137	UMILRFUITAPFJV-NTEUORMPSA-N	318.446	3.229	10	20	DGCD	
CCOc1cccc(CNCCCc2cccc(C)n2)c1O	285424204	DVJCWPPVRUTCEN-UHFFFAOYSA-N	300.402	3.217	10	20	DGCD	
C[C@H]1COCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O	285660384	ZAZCSHQZJIAJPC-VHSXEESVSA-N	304.217	3.461	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@H](O)Cc2cccc(F)c2)c(O)c1	297216086	GZVCBKSSCUFABA-YOEHRIQHSA-N	317.404	3.402	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@]2(CCc3ccccc3O2)C1	811606985	BMXXSPDNNFTBSX-QGZVFWFLSA-N	315.394	3.064	10	20	DGCD	
Cc1cc(CN[C@@H](CO)[C@@H](C)c2ccccc2)ccc1N(C)C	815092698	OQQPTTAOARZCRI-LPHOPBHVSA-N	312.457	3.315	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C2CC2)C(C)(C)CO)cc1	811519561	YKXQJBMVPHWYTH-GOSISDBHSA-N	304.478	3.420	10	20	DGCD	
C[C@@H]1Cc2ccccc2[C@@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	817940726	HMYZVRCSHRITFZ-JSNMRZPZSA-N	309.457	3.276	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1	817939097	YVTNBBNCUWOFDW-FZKQIMNGSA-N	301.409	3.242	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC2CCC(C(F)F)CC2)cc1	817939863	CTEOXDREYURWGN-XUJLQICISA-N	311.420	3.166	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@](C)(OC)C2CC2)cc1F	812506084	VTBINRKPVNLCIG-SFHVURJKSA-N	322.424	3.103	10	20	DGCD	
CC(C)CCN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817911592	ATBJSKIKRFLXJR-UHFFFAOYSA-N	317.458	3.434	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCc2cccnc2CC1	817578226	SPJXRAKIPJONCK-SFHVURJKSA-N	309.457	3.493	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2CCN2C(=O)OC(C)(C)C)c1	724910979	BYQHSALYJMAOPV-UONOGXRCSA-N	320.433	3.361	10	20	DGCD	
CNc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F	822083081	SAYJFIKRMCTCFU-LBPRGKRZSA-N	315.392	3.424	10	20	DGCD	
Cc1ccncc1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	821033568	WKAMHRDBCVVCAA-UHFFFAOYSA-N	323.440	3.190	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]1c1ccccc1	588405324	AVMPAVKQCNLPLQ-HGPCXVNDSA-N	309.365	3.475	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@H]1NCc1cccc(CC)c1O	827751514	VVXSSGNSPDTBNW-CRAIPNDOSA-N	305.418	3.166	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cc(Br)ccc2O)c2nccn21	825017450	RSQARMQUBYRPTN-SKDRFNHKSA-N	322.206	3.147	10	20	DGCD	
CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(O)cs1	731863828	FLZVNQXVTQCVLX-UHFFFAOYSA-N	321.398	3.133	10	20	DGCD	
CCc1ccc(C(=O)[C@H](C)OC(=O)c2cc(O)cs2)cc1	731910652	VDIWTVNOQHKLOO-JTQLQIEISA-N	304.367	3.444	10	20	DGCD	
C[C@@]1(NC(=O)NCCCSc2nccs2)CC=CCC1	838515588	XNVLGINIOOFJOK-CQSZACIVSA-N	311.476	3.423	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836787155	IGHHPBVHHZWIGB-JFIYKMOQSA-N	317.429	3.479	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C2CCC2)C2CC2)c1	834910606	ILFFLLZRTNIWRU-PIGZYNQJSA-N	303.402	3.408	10	20	DGCD	
CCc1cccc(CNC2(c3noc(C)n3)CCCC2)c1O	848895705	WHAHSHYZGAHFQP-UHFFFAOYSA-N	301.390	3.205	10	20	DGCD	
CCCOc1ccccc1NC(=O)NCCc1ccc(N)cc1	841014579	ZRUXVHUSUWPJGW-UHFFFAOYSA-N	313.401	3.422	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NC3CC4(CCC4)C3)ccc21	844933248	DKCNTMYKPGQOSN-UHFFFAOYSA-N	313.445	3.201	10	20	DGCD	
Cc1noc(C(C)C)c1C(=O)NCc1cc(Cl)ccc1O	846478708	DPYKYYGOAFBECK-UHFFFAOYSA-N	308.765	3.395	10	20	DGCD	
CC(C)(C)O[C@@H]1C[C@H](NCc2cc3c(cc2O)OCO3)C1(C)C	840976920	DRFQNFPHNGWACO-JKSUJKDBSA-N	321.417	3.193	10	20	DGCD	
C[C@H](NCc1ccc(CN)cc1F)c1ccc(N(C)C)cc1	844926415	ZUXGVGJQPTYCJD-ZDUSSCGKSA-N	301.409	3.201	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC(OC3CCC3)CC2)c1O	842161894	RZDIGCUZLVXKEB-UHFFFAOYSA-N	321.392	3.267	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cc(F)cc(Cl)c2)cc1	841045508	LYWYLCMGYNMIPY-KRWDZBQOSA-N	321.827	3.335	10	20	DGCD	
CCN1CCC(CCN[C@H](C)c2cccc(OC)c2O)CC1	846144482	GUGKEIJKTWEOMA-CQSZACIVSA-N	306.450	3.173	10	20	DGCD	
CCOc1ccc(CNCCc2ncc(C)cc2C)c(O)c1	848565388	WCQAHCDHOHZLOJ-UHFFFAOYSA-N	300.402	3.135	10	20	DGCD	
COCC[C@@H](C)CN[C@@H](C)c1cc(Br)ccc1O	840837817	VUPCCWUWVJVZPK-MNOVXSKESA-N	316.239	3.478	10	20	DGCD	
CCc1cccc(CN2CC3(CCOCC3)[C@H]2C2CC2)c1O	848913628	CTSZUIJNZJHBEK-GOSISDBHSA-N	301.430	3.346	10	20	DGCD	
CC(C)(CO)[C@@H](NC(=O)c1cc(O)cs1)c1cccs1	855112072	WUJABWTWYLIUJC-LBPRGKRZSA-N	311.428	3.005	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2c(O)cccc2Br)c2nccn21	858172485	WGBROZUXFMPELF-BXKDBHETSA-N	322.206	3.147	10	20	DGCD	
CO[C@H](C)CCN[C@@H](C)c1cc(Br)cc(F)c1O	756526977	IPHCPXLLRDQBMP-BDAKNGLRSA-N	320.202	3.369	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)c(O)c1O	855636168	IRODPXFCICWXHD-AWEZNQCLSA-N	303.402	3.449	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC)c(OC)c2)s1	757822843	QHRZSHKAAPOSIT-UHFFFAOYSA-N	321.398	3.188	10	20	DGCD	
Cc1cc(C)cc(NC(=S)NCc2cccc(N(C)C)n2)c1	754692980	RLJLZEQZXUOENA-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
CCCC1(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CC1	760735857	XSWBLUREVCGNAW-UHFFFAOYSA-N	320.408	3.063	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H](C)n2cccn2)c(C)n1-c1ccccc1	863165107	JINIGTNEHQRBMV-MRXNPFEDSA-N	322.412	3.168	10	20	DGCD	
CO[C@H]1C[C@H](NCc2ccc(OCc3ccccc3)cc2O)C1	862540838	KWMNJAPNUXEXEF-SAABIXHNSA-N	313.397	3.238	10	20	DGCD	
COc1cccc(O)c1CN(C)Cc1cnn(-c2ccccc2)c1	768209022	XDRIXWORGLKFNP-UHFFFAOYSA-N	323.396	3.219	10	20	DGCD	
C[C@H](NC(=O)c1cc(Cl)cn1C)c1ccc(N(C)C)cc1	773011206	DKQBJLGUCHTJDC-NSHDSACASA-N	305.809	3.236	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1	770632203	YRKHFVHFNSPTIK-ROUUACIJSA-N	312.413	3.127	10	20	DGCD	
CCOc1ccc(CN[C@@H](CC)[C@@H](O)c2ccccc2)c(O)c1	873194990	XJYUTFXHRKYDSB-HKUYNNGSSA-N	315.413	3.393	10	20	DGCD	
Cc1ccc(CNc2cccc(N3CCNC3=O)c2C)c(O)c1	877483087	KZZPCNKHPGTOBY-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
C[C@@H](Nc1cnn(CCO)c1)c1cc(Cl)c(Cl)cc1O	774305148	ZQJCZLIVLLNKPY-MRVPVSSYSA-N	316.188	3.061	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[C@H]1OC	775457006	FCZSKSBSFLXJCT-RHSMWYFYSA-N	320.433	3.129	10	20	DGCD	
C[C@@H](NCCC(=O)N1CCCc2ccccc21)c1ccccc1O	879649612	YMBAKIOQFJFVGE-OAHLLOKOSA-N	324.424	3.412	10	20	DGCD	
C[C@H](N[C@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1	773012601	WOMURQYWVNDYCB-SCLBCKFNSA-N	302.393	3.276	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(Cl)Cl	777373620	YZDGYYKEZUDNPS-UHFFFAOYSA-N	303.233	3.295	10	20	DGCD	
COc1c(C)cnc(CN(C)Cc2ccc(C)cc2O)c1C	877319609	CSXFNFBSKCMSFD-UHFFFAOYSA-N	300.402	3.353	10	20	DGCD	
COc1ccc(CNCCc2cccc(C)c2)c(O)c1OC	892809922	RCTOMDLXPSGCRT-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(C)c(Cl)c2F)c1	789996288	OJJQAEIBPRWYSL-UHFFFAOYSA-N	323.751	3.432	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc3c(c2)CCCO3)SC1=S	899332858	KFVFRAUWUVRKHV-UKTHLTGXSA-N	305.424	3.233	10	20	DGCD	
CCCN(CCO)Cc1cc(Cl)cc(Br)c1O	893896702	VXANJGWHKFGSRT-UHFFFAOYSA-N	322.630	3.012	10	20	DGCD	
Cc1ccc(C(=O)NCC2(Cc3ccccc3)CC2)c(O)c1O	780985113	BJICRBLHIYYTIJ-UHFFFAOYSA-N	311.381	3.159	10	20	DGCD	
CC[C@](C)(CO)NCc1ccc(N(C)C)cc1C(F)(F)F	793042911	OTVLTKRBTDLHAP-CQSZACIVSA-N	304.356	3.022	10	20	DGCD	
Cn1ncc2c1CCC[C@@H]2NCc1c(O)ccc(Cl)c1F	790950179	MIFQRUSTNCZWBX-LBPRGKRZSA-N	309.772	3.085	10	20	DGCD	
C[C@H]1C[C@H](CCNCc2c(O)ccc(Cl)c2F)CCO1	790986267	LJEWPRGPIMVQBB-WDEREUQCSA-N	301.789	3.480	10	20	DGCD	
CCCCC(=O)N1C[C@@H](NCc2ccc(OC)c(C)c2)[C@H](C)C1	1214164175	NHGUMKJPVRBXLW-NVXWUHKLSA-N	318.461	3.130	10	20	DGCD	
Cc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n1C	1318556658	ZBVIMHOMEJFXCF-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
Cc1cc(C(=O)Nc2c(Cl)ccc3nonc23)cc(Cl)n1	1329520789	XXTYOKGRBJNTBD-UHFFFAOYSA-N	323.139	3.485	10	20	DGCD	
Oc1cccc(Br)c1CNC[C@H]1CCCS1	706871969	ANMNNZMUGXWPSR-SECBINFHSA-N	302.237	3.140	10	20	DGCD	
Oc1c(Br)cccc1CNCC1SCCS1	692888832	OASNWKPOQVZJIK-UHFFFAOYSA-N	320.277	3.050	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@H]1CC[C@H]1c1ccc(F)cc1	1521851082	GAAVVYHBURMZPP-GJZGRUSLSA-N	315.344	3.047	10	20	DGCD	
Cc1cc(CSc2ncc(C(=O)O)s2)cc(Cl)n1	1607653603	NMMKZDLDSJXTHZ-UHFFFAOYSA-N	300.792	3.490	10	20	DGCD	
COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@@H](C)C(C)C)cc1C	1755606522	LGCDCHNQAJZFMU-HOTGVXAUSA-N	320.477	3.232	10	20	DGCD	
CCCCN(Cc1ccccc1O)Cc1occc1C(=O)O	1595747212	BLXCHDMCYOFVAM-UHFFFAOYSA-N	303.358	3.486	10	20	DGCD	
CC(C)(C)SC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1776266216	BYXVQGHFIIGYGI-CQSZACIVSA-N	323.458	3.086	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccc([S@](C)=O)cc1	160548464	XGINOKLIHLBKJL-RCDICMHDSA-N	316.470	3.341	10	20	DGCD	
CCN(CC)c1ccc(CNCCCc2cnn(C)c2)cc1F	152146428	WKJOVVKJKPLDOM-UHFFFAOYSA-N	318.440	3.128	10	20	DGCD	
Cc1ccc(CCCC(=O)NCCc2ccc(N)cc2)s1	152576246	QNSZUCYHRCENPN-UHFFFAOYSA-N	302.443	3.320	10	20	DGCD	
CC[C@@H](NC1CCN(C(=O)CC(C)C)CC1)c1ccccc1O	155418633	KSXSBZFVHBZYSA-QGZVFWFLSA-N	318.461	3.470	10	20	DGCD	
COc1cc(O)c(CN2CCOc3cc(C)ccc32)cc1OC	154896807	VDTQRGACYKCPIB-UHFFFAOYSA-N	315.369	3.117	10	20	DGCD	
c1ccc(N2CCC(NCc3ccc4c(c3)CCO4)CC2)cc1	98172377	YYFBURLQDZETEJ-UHFFFAOYSA-N	308.425	3.380	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2sccc2C)c1	133599386	VGAPUNAKEUDDSS-ZIAGYGMSSA-N	317.410	3.191	10	20	DGCD	
CCNC(=O)c1cccc(NCc2c(O)cccc2Cl)c1	149158753	NNTCVYDCPIIDPU-UHFFFAOYSA-N	304.777	3.407	10	20	DGCD	
CC[C@H](NCC1CCN(C(C)=O)CC1)c1ccc(N(C)C)cc1	151060695	MXUHWWCMANMCBB-IBGZPJMESA-N	317.477	3.052	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(s2)CCC3)c1	157885219	DEZKAHDDVHGZHK-JTQLQIEISA-N	317.410	3.442	10	20	DGCD	
COc1cc(Br)cc(CN(C)[C@@H](C)C2CC2)c1O	158030332	LUVKIWFGWCDTPW-VIFPVBQESA-N	314.223	3.394	10	20	DGCD	
CC[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1	166606754	DCUIXZLUPVLNKX-AABGKKOBSA-N	310.441	3.452	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccnc(Cl)c1	174515864	ZFTSNYMSPXMPDP-UHFFFAOYSA-N	316.788	3.249	10	20	DGCD	
CCOCc1nnc(NCc2ccc(N(CC)CC)cc2)o1	181851288	XHJSKFICLUTIHB-UHFFFAOYSA-N	304.394	3.064	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ccc([S@](C)=O)cc2)c1	186094603	ZMQJCNWMFPZOPS-ASSNKEHSSA-N	303.427	3.289	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)NCc2ccccc2)cc1	191596348	LOPZFKZXXXSSMD-UHFFFAOYSA-N	312.413	3.226	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cn1	194696724	DTWBLZAFPVYPAA-HTZNOQTFSA-N	318.760	3.037	10	20	DGCD	
CCOC[C@H](O)CN(Cc1cccs1)c1ccc(OC)cc1	269738493	WNENXDCGACPOFE-OAHLLOKOSA-N	321.442	3.161	10	20	DGCD	
CC[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(F)cc1O	285820584	WKEOGOQYZCQVBN-HUUCEWRRSA-N	306.381	3.468	10	20	DGCD	
CCN(Cc1ccccc1)C(=O)CN[C@@H]1CCc2cccc(O)c21	297651727	KEVDJAXVUBHCTC-QGZVFWFLSA-N	324.424	3.018	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2cncs2)C2CC2)cc1	298376017	NTMZPPBHQDQQKE-UHFFFAOYSA-N	301.415	3.014	10	20	DGCD	
Cc1cc(C#N)cc(NCc2ccc(N3CCOCC3)cc2)c1	308107632	IQMACABZMIXYCA-UHFFFAOYSA-N	307.397	3.315	10	20	DGCD	
COc1ccc(N(C)Cc2cc(OC)c(O)c(OC)c2)cc1	317368122	JPJGAGKTNYPKTQ-UHFFFAOYSA-N	303.358	3.054	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2O)cc1	387334856	UUQRXAPVBQOOCK-LBPRGKRZSA-N	300.358	3.150	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCC(=O)NC(C)(C)C	388550265	FRAAQRYNNNDKLJ-QWHCGFSZSA-N	304.434	3.143	10	20	DGCD	
Cc1c(CNC(=O)NCC2CC(F)(F)C2)n(C)c2ccccc12	490411595	MYNGFKDTCWRUJX-UHFFFAOYSA-N	321.371	3.331	10	20	DGCD	
Cc1c(CNC(=O)NC2(CF)CCC2)n(C)c2ccccc12	574913964	SELYZXAIDIRHFV-UHFFFAOYSA-N	303.381	3.178	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1CCN(C2CC2)c2ccccc21	588527812	OXKGWIAJDZNKIG-YFHOEESVSA-N	305.381	3.110	10	20	DGCD	
COCCCOc1ccccc1NC(=O)c1cc(O)cs1	732276113	HBRZFOVOJWRHBY-UHFFFAOYSA-N	307.371	3.121	10	20	DGCD	
Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1C	744442040	DDQKJZDCSDZIMI-BXUZGUMPSA-N	303.324	3.161	10	20	DGCD	
C[C@H](Cc1ccncc1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	749296282	PMZCSNBOYRINFZ-SNVBAGLBSA-N	321.764	3.070	10	20	DGCD	
CO[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)C1	753545586	FXFQGZVVHGMING-SFHVURJKSA-N	313.397	3.192	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)C1CCOCC1	756628511	NKSOGWOSFKRRDD-BLLLJJGKSA-N	321.417	3.035	10	20	DGCD	
C[C@H](O)C[C@H](C)N[C@@H](C)c1cc(Br)c(F)cc1O	757655901	LORGIXKDKYDVAI-CIUDSAMLSA-N	320.202	3.104	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[C@@H]1CCOC1	760192113	FYIAHBGKJXYSHF-GJZGRUSLSA-N	320.433	3.129	10	20	DGCD	
CC[C@](C)(CO)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	760203951	SZRZTBJQBATICE-LJQANCHMSA-N	314.429	3.293	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1F	760448791	ABOVJPULMKJTQL-CQSZACIVSA-N	322.346	3.075	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1C	762611066	CIVGFUWKBYWDLE-BMFZPTHFSA-N	309.500	3.478	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CC[C@@H]3SCCS[C@H]32)cc1C	762611070	CIVGFUWKBYWDLE-KBMXLJTQSA-N	309.500	3.478	10	20	DGCD	
COc1cc(NCc2cc(C)ccc2O)ncc1Br	762626493	RRPYLTNJMWTUPA-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1ccc(F)cc1F)c1ccc(N(C)C)cc1	764770791	OKLBNEWGKKQGAO-KZULUSFZSA-N	320.383	3.415	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2c2cc(C)on2)c(O)cc1C	768441371	KFLXVAGMHVFHRO-OAHLLOKOSA-N	302.374	3.343	10	20	DGCD	
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc(O)cs1	776495370	ZDXQMMVNRCSPER-LLVKDONJSA-N	322.817	3.116	10	20	DGCD	
C[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@@H](C(N)=O)C1	779204455	SNUXNQGTOZJVAE-KBXCAEBGSA-N	324.424	3.145	10	20	DGCD	
CNC(=O)Cc1ccc(NCc2c(O)ccc(Cl)c2F)cc1	790953086	PXNMQOCYJISRMR-UHFFFAOYSA-N	322.767	3.085	10	20	DGCD	
COc1ccc(N2CCCN(Cc3cc(C)ccn3)CC2)cc1	792209379	UNUUUISFWAQZMB-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
Cc1ccc(CCCNCc2ccc3c(c2)CCCN3C)cn1	792942107	JQAJOFZJDVNZEN-UHFFFAOYSA-N	309.457	3.495	10	20	DGCD	
Cc1ccc([C@@H](O)[C@H](C)NCc2ccc(N(C)C)c(F)c2)cc1	796480082	CAUCIFYFDBPWRW-LIRRHRJNSA-N	316.420	3.412	10	20	DGCD	
COCc1cc(NCc2cc(Cl)cc(Cl)c2O)ncn1	808087496	XCFPILQTFUHYHS-UHFFFAOYSA-N	314.172	3.248	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1cccc(C(F)(F)F)c1O)CN(C)C	815627811	KEFQACVOZNQIIL-QWRGUYRKSA-N	304.356	3.259	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3cccc(F)n3)C2)cc1	819937010	YLJYHHOCKDTYDA-ZDUSSCGKSA-N	301.365	3.168	10	20	DGCD	
CCc1nocc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	821032758	GJUOEDYPJIESLV-UHFFFAOYSA-N	313.401	3.108	10	20	DGCD	
CCOc1ccc(CNC[C@]2(C)CC2(Cl)Cl)c(O)c1	824766351	UHARIFWADVOMIY-ZDUSSCGKSA-N	304.217	3.464	10	20	DGCD	
O=C(CC1CC(F)(F)C1)NCCCSc1nccs1	825822282	GYWJSMLTOAVYNT-UHFFFAOYSA-N	306.403	3.177	10	20	DGCD	
Cc1csc(C2(NC(=O)c3cc(O)cs3)CCCC2)n1	827463621	YXTLONAZKPBBOU-UHFFFAOYSA-N	308.428	3.418	10	20	DGCD	
COC(=O)CN(Cc1ccc(N2CCCCC2)c(C)c1)C1CC1	828012401	OCDKIWJZCXSUNP-UHFFFAOYSA-N	316.445	3.123	10	20	DGCD	
COC(=O)c1cnc(Sc2nc(C)nc3c2CCCC3)s1	828428232	IXUKTZPSALWABL-UHFFFAOYSA-N	321.427	3.058	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2cc(C)cc(C)c2)c1	830541183	UJQWCULJFLDHPO-CQSZACIVSA-N	313.397	3.438	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1nccc2[nH]ccc12	830559053	IBCOMXPIKVWARG-UHFFFAOYSA-N	321.380	3.077	10	20	DGCD	
COc1ccc(N(Cc2ccc(C(N)=O)cc2)CC2CC2)cc1	831583121	PULPVQJYDLZGCD-UHFFFAOYSA-N	310.397	3.211	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCSC[C@H]2C2CC2)c1O	831773697	RRLHOFSXAFXOSQ-HNNXBMFYSA-N	309.406	3.061	10	20	DGCD	
Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cc(O)cs1	832369467	MZIQHMCEBKBEAL-UHFFFAOYSA-N	314.410	3.391	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)cc1	836417327	GWSSOHXRZMKYQJ-KBAYOESNSA-N	316.445	3.107	10	20	DGCD	
Fc1cc(CN[C@H]2CCC[C@H]3C[C@H]32)cc(F)c1N1CCOCC1	839146189	YVMFOZSYZCRZJC-VBQJREDUSA-N	322.399	3.080	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1csnc1C	839920343	PMFSTPLHDCIFHH-LBPRGKRZSA-N	317.458	3.187	10	20	DGCD	
Cc1nc([C@@H]2CCCCN2Cc2ccc(N(C)C)cc2C)no1	840912039	YXLYOJQYQJGMLY-KRWDZBQOSA-N	314.433	3.480	10	20	DGCD	
NCC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	841090874	PCJIPNJUFOTWQD-SECBINFHSA-N	317.138	3.068	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O	841765676	UXQSCQWHNJHJNM-WCQYABFASA-N	318.795	3.426	10	20	DGCD	
CCOCc1cc(CNC(C)(C)C[C@H](C)C(=O)O)ccc1OC	841815796	KUKKLYNGLYZIKE-ZDUSSCGKSA-N	323.433	3.211	10	20	DGCD	
CC(C)[C@H]1N(C(=O)NCCc2ccc(N)cc2)CC12CCCC2	841955675	JRCDWCHLWZYDKM-QGZVFWFLSA-N	315.461	3.422	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](CCO)Cc2ccccc2)c1O	846167170	HIXPRPOXMICEEY-HOCLYGCPSA-N	315.413	3.045	10	20	DGCD	
CCc1cccc(CN(C)C[C@]2(O)CCc3ccccc32)c1O	848919234	IEPOPKXSLXYEPE-HXUWFJFHSA-N	311.425	3.220	10	20	DGCD	
CCOc1cccc(CN2CCC([C@H]3CCCNC3)CC2)c1O	849350780	WAZGWZJLRZVVHW-INIZCTEOSA-N	318.461	3.003	10	20	DGCD	
COc1cc(CNC(C)(C)CN(C)C)c(O)c(C(C)(C)C)c1	850322392	ZXAPUHZBFDHUGH-UHFFFAOYSA-N	308.466	3.128	10	20	DGCD	
CCC[C@H](NC(=O)NCc1cc(C)ccc1O)c1ccccn1	858190467	DRQAHVXASFNTLQ-INIZCTEOSA-N	313.401	3.436	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@H]3CCC(=O)C3)c2C)c1	863160149	SHPPAQLXAKIROT-INIZCTEOSA-N	324.424	3.388	10	20	DGCD	
O=C(CCC1CC1)NCCC1=CCN(c2cccc(F)n2)CC1	1089823085	WMRFLZDPMXJTMQ-UHFFFAOYSA-N	317.408	3.054	10	20	DGCD	
CCOC(=O)[C@@H](NCc1ccc(N2CCCC2)cc1)C(C)(C)C	1321230122	XQTKSPVRMRMESC-QGZVFWFLSA-N	318.461	3.354	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)c2cc(C)oc2C)c1O	1322149843	PAMXPVGRRUKXIT-JTQLQIEISA-N	320.345	3.370	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CC[C@@H](C(C)(C)C)C1	1519506874	MGDLNFYKHRNQTB-SNVBAGLBSA-N	306.435	3.122	10	20	DGCD	
CN(C)c1ccc(/C=C\CNc2cccc(-c3nn[nH]n3)c2)cc1	1578998467	LPRYEIVYKNOEMZ-PLNGDYQASA-N	320.400	3.058	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	57660745	OALZIIDHFURDHH-AWEZNQCLSA-N	301.434	3.011	10	20	DGCD	
CN(C)c1ccc(CN2CCN(Cc3cccs3)CC2)cc1	119884937	RMLKKYLYLARRNV-UHFFFAOYSA-N	315.486	3.132	10	20	DGCD	
CCc1nn(C)c(CC)c1CNCc1ccc(N(C)C)cc1C	162613590	BWDKVXKFJRHOKM-UHFFFAOYSA-N	314.477	3.209	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccccc2SC)c1	172042781	MVLUJOAVVWDIEH-UHFFFAOYSA-N	303.383	3.053	10	20	DGCD	
COc1ccc(N(C)Cc2cc(F)cc3c2OCOC3)cc1F	177069338	BCDSRLLQKIFOTC-UHFFFAOYSA-N	321.323	3.476	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCCCC1)c1ccc(N(C)C)cc1	178200554	KFXZHDBZZHSTRZ-SFHVURJKSA-N	317.477	3.196	10	20	DGCD	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccccc1O	179585147	PISXLGGYPIOIFG-ASSNKEHSSA-N	303.427	3.323	10	20	DGCD	
COC(=O)C[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1	179887939	PXZVHAKJGAVGAI-SFHVURJKSA-N	316.445	3.204	10	20	DGCD	
Cc1ccc([C@@H](C)NCCC(=O)NC2CCCCC2)c(O)c1	185091171	UMPGZTZEARVSIM-CQSZACIVSA-N	304.434	3.190	10	20	DGCD	
C[C@H](NCC[S@](=O)C(C)(C)C)c1cc(Cl)ccc1O	185474762	HZMNNZPUTYDUSD-OVWNDWIMSA-N	303.855	3.243	10	20	DGCD	
CCC[C@H](O)CN[C@H](C)c1cc(Br)cc(C)c1O	187197573	JBVKTNRTXPPONZ-PWSUYJOCSA-N	316.239	3.275	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)N[C@H](C)c1ccc(F)cc1O	191573339	ZHBRARDJTKXZJG-CJNGLKHVSA-N	303.377	3.094	10	20	DGCD	
CN(C)C(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1	195063854	MKULPFFEHVNEPH-UHFFFAOYSA-N	322.767	3.499	10	20	DGCD	
CC[C@@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O	227683643	JNFLENOORQVLII-GXTWGEPZSA-N	308.422	3.346	10	20	DGCD	
COc1ccc(O)c(CNc2cnc(Br)c(C)c2)c1	228836672	UOPLJQLSMACKNY-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN[C@H]1CCC12CCCC2	276634571	OBNNLSLYQCDLAC-SFHVURJKSA-N	300.446	3.336	10	20	DGCD	
C[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	302991439	MNQWOFWXAOPCDP-GXTWGEPZSA-N	307.413	3.270	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@H](n2cc(Cl)cn2)C1	368127885	XYZSYQQNFBPZOF-ZDUSSCGKSA-N	312.200	3.343	10	20	DGCD	
CS[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1	458746811	QSBHONQWKNLXJN-ZDUSSCGKSA-N	317.458	3.134	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)n(C)c2ccccc12	471909269	YUMOBYITZAXVOD-OFQRWUPVSA-N	311.429	3.475	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC12CCCCC2	476989083	WXIBJASUKYZLFS-OAHLLOKOSA-N	314.429	3.448	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C\c2scnc2C)cc1F	492709127	BELBSRPLSFCQKY-SREVYHEPSA-N	306.362	3.275	10	20	DGCD	
C[C@@H]1[C@H](C(=O)NCc2cc(Br)ccc2O)[C@H]1C1CC1	529391529	ZYSWRIWNUASDHS-PCTYZZJISA-N	324.218	3.063	10	20	DGCD	
Cc1ccccc1[C@H](CC(=O)O)NCc1ccc2c(c1)CCO2	756362349	MDNZFRMFFLJCIQ-KRWDZBQOSA-N	311.381	3.236	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC[C@H]2CCCCO2)c1	760905149	JLDBPUYBUZAUDC-UKRRQHHQSA-N	321.417	3.179	10	20	DGCD	
Cc1csc(CCC(=O)NCc2ccc(N(C)C)cc2C)n1	766686293	XMNHBNVNTCQEAX-UHFFFAOYSA-N	317.458	3.075	10	20	DGCD	
CC[C@H](C)[C@H](NC(=O)c1ccc(C)c(O)c1O)C(F)(F)F	769080280	AEKSQKCPFYJEKF-MADCSZMMSA-N	305.296	3.113	10	20	DGCD	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cc(O)cs1	771033246	OBIPSHVVURPHKM-QMMMGPOBSA-N	309.337	3.491	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccsc1	773763335	TUGOXEJVJKZLLP-LBPRGKRZSA-N	319.426	3.229	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(SC)nc2)c1O	775052541	RXQXEDANUKZHLN-UHFFFAOYSA-N	321.358	3.038	10	20	DGCD	
COc1ncccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775432555	ILEQTNCMGPSVFB-LBPRGKRZSA-N	314.389	3.039	10	20	DGCD	
C[C@@H](N[C@@H]1CCn2ccnc2C1)c1ccc2ccccc2c1O	779061703	MKQKFBRFEWURGK-UKRRQHHQSA-N	307.397	3.408	10	20	DGCD	
Cc1ccc(CN(C(=O)/C=C\c2ccc(O)c(O)c2)C2CC2)o1	779502947	XYSJERADEHYNEF-WTKPLQERSA-N	313.353	3.204	10	20	DGCD	
C[C@H](NCCNC(=O)c1ccc(Cl)cc1)c1ccccc1O	783504772	KROLCOLFVPZQDF-LBPRGKRZSA-N	318.804	3.126	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cscc2C)c1	787340581	HLWRJPBSEOBGSH-NSHDSACASA-N	320.414	3.331	10	20	DGCD	
COc1cccc(O)c1CNCc1oc2ccccc2c1OC	788970844	WPOAIBYPQGKNMV-UHFFFAOYSA-N	313.353	3.445	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2cccc(C(F)F)c2)c1	790713589	SKZWSBOZJOTVFE-UHFFFAOYSA-N	321.323	3.197	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1O	791560425	VYBPPLHZWBLOOR-HWPZZCPQSA-N	323.820	3.248	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)cc(F)c2O)c(O)c1	793388729	SFJXVBYJIRGYSC-UHFFFAOYSA-N	311.740	3.189	10	20	DGCD	
CC[C@H](NC[C@H](O)COc1ccccc1)c1ccc(C)cc1O	794794877	RQOAHUCEXTUOOO-YJBOKZPZSA-N	315.413	3.181	10	20	DGCD	
CCc1ccc([C@H](O)CNCc2ccc(N(C)C)c(F)c2)cc1	796447913	BDEVFLSSNJFOFD-LJQANCHMSA-N	316.420	3.277	10	20	DGCD	
COc1ccc(CNc2ncccc2Br)c(O)c1	804682588	QQNRBKXNMUAOAK-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
CO[C@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	804840686	OARMYQKDLOFFBU-CYBMUJFWSA-N	318.392	3.340	10	20	DGCD	
C[C@@H](O)CN(C)Cc1ccc2c(c1)CCN2Cc1ccccc1	809639104	HCGIRMVFSRBONF-MRXNPFEDSA-N	310.441	3.062	10	20	DGCD	
Oc1ccc2c(c1CN=c1cc[nH]c3ccncc13)CCCC2	811808839	QMYZLAZWMDXYGX-UHFFFAOYSA-N	305.381	3.248	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCNC3(CCC3)C2)cc1	817987408	YTVRVDFYVKRYJK-DOTOQJQBSA-N	301.478	3.468	10	20	DGCD	
C[C@@H](c1ccccc1)N(CC[S@@](C)=O)Cc1ccccc1O	828564200	NNOQTXXVHWDKCI-OYHNWAKOSA-N	317.454	3.334	10	20	DGCD	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NCc1cccc(Br)c1O	830529103	DBCSLFHCVLMVOZ-JBLDHEPKSA-N	324.218	3.207	10	20	DGCD	
CC(C)(C)C[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	837168325	UXCGNLYREQUXGO-BRLPQQTGSA-N	303.402	3.396	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1C=CCC1	839915825	LFORZSYGGGOHEZ-JKSUJKDBSA-N	300.446	3.465	10	20	DGCD	
COc1cc(CCNCc2ccc(N(C)C)cc2C)ccc1O	840933902	JTONQHWCWKINON-UHFFFAOYSA-N	314.429	3.108	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1	840953135	ZPJZOCFQIUVHSC-VQTJNVASSA-N	316.489	3.434	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](CO)c2ccc(F)cc2)cc1C	840963938	TZSWDNBAERNWLK-INIZCTEOSA-N	303.377	3.014	10	20	DGCD	
CCOCc1cc(CN[C@H](C)C2(OC)CCC2)ccc1OC	840969515	GRNSLKLMMAHJPU-CQSZACIVSA-N	307.434	3.279	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCC(=O)N1	844312065	CDVJBKZDACZTJG-YJBOKZPZSA-N	324.424	3.234	10	20	DGCD	
CC(C)[C@H](C(=O)NCc1cc(Cl)ccc1O)c1cccnc1	846473659	NTXYUYFHULSHOT-INIZCTEOSA-N	318.804	3.497	10	20	DGCD	
Nc1ccc(CC(=O)NCC2(c3ccccc3F)CCC2)cc1	846689351	VYUDOLJLMYRGLP-UHFFFAOYSA-N	312.388	3.189	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1	848516914	FVNLPYOCYZBUOD-QGZVFWFLSA-N	311.385	3.438	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC(c3ncc[nH]3)CC2)cc1F	862235367	HJNTUTXKOCDGHM-UHFFFAOYSA-N	320.387	3.134	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC2(C)COC2)cc1	862761666	HGATZOWUXBUHGJ-UHFFFAOYSA-N	312.413	3.203	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C1CC1)C1CC1	875673826	UARLMUYEHLBMDB-AWEZNQCLSA-N	315.461	3.328	10	20	DGCD	
CC(C)Cc1nnc(NC(=O)N[C@H](C)c2ccccc2O)s1	877964575	IGEIRXZNXSEAGG-SNVBAGLBSA-N	320.418	3.325	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCc2ccccc21)c1c(O)cccc1F	886555237	NYEDAIMXKTXIBH-SGTLLEGYSA-N	301.361	3.016	10	20	DGCD	
C[C@H](NC(=O)N1C[C@H]2CCC[C@H]1C2)c1ccc(N(C)C)cc1	894286302	OIHDHWGLWWEKHF-ZQIUZPCESA-N	301.434	3.398	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCn2nc(C3CC3)cc2C1	896938403	OGJLTNILSUEMJD-UHFFFAOYSA-N	321.783	3.274	10	20	DGCD	
C[C@H]1CC[C@@](CNCc2cc(F)cc(F)c2O)(CC(=O)O)C1	903993494	RYFGPBDNEJZOLH-QFYYESIMSA-N	313.344	3.041	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCC[C@H](C(F)(F)F)C1	910951646	JZWNERZHMZUYCY-ONGXEEELSA-N	317.307	3.083	10	20	DGCD	
CCCCNC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1	917595042	WRAFDHHSHAKVSX-UHFFFAOYSA-N	305.491	3.392	10	20	DGCD	
Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1C	918374380	CYERAGVQLDEWER-UHFFFAOYSA-N	310.397	3.392	10	20	DGCD	
C[C@H](Cc1ccncc1)NCc1c(O)cccc1Br	1118855143	AKUQCDVVVQVFNS-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc(C(C)C)[nH]1	1318643759	DFYJZBQIYSIAMW-UHFFFAOYSA-N	301.390	3.291	10	20	DGCD	
CC[C@@H]1C[C@@H](C)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1319707753	XSRWGKHNYBYMFY-NVXWUHKLSA-N	319.468	3.198	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccnc(Cl)c1	1321388461	LJPWNTOJMKGMMZ-UHFFFAOYSA-N	309.112	3.177	10	20	DGCD	
COc1cc(Cl)cc(CNCc2cccc(C(=O)O)c2)c1O	1594058867	LYZLACCSIKGGOF-UHFFFAOYSA-N	321.760	3.042	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc([C@H]2CCOC2)cc1	1608039330	UNENJEYGJPCOKI-ZDUSSCGKSA-N	302.326	3.369	10	20	DGCD	
O=C1[C@@H](Sc2nccs2)CCCN1Cc1ccccc1	89685407	AEUQLDOTIYTYPJ-ZDUSSCGKSA-N	304.440	3.426	10	20	DGCD	
CCCC(=O)NC[C@H]1CCCN(Cc2cc(C)c(C)cc2O)C1	101905975	GQHCNWKIOYNRRB-MRXNPFEDSA-N	318.461	3.137	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3c(s2)CCCC3)c1O	105652693	SQRLAGNWGPUSPR-UHFFFAOYSA-N	317.410	3.271	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Br)cc(C)c2O)CCO1	124524721	YEMVUXDHQJZTHY-CYBMUJFWSA-N	314.223	3.074	10	20	DGCD	
COc1cc(O)c(CN(C)c2cc(F)ccc2F)cc1OC	160488432	VTDXRRPZEDBPKF-UHFFFAOYSA-N	309.312	3.324	10	20	DGCD	
COCC[C@](C)(O)CN[C@H](C)c1ccc(N2CCCCC2)cc1	178365507	NKLWCKWTZOVSKP-APWZRJJASA-N	320.477	3.115	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC(OC[C@@H]2CCCCO2)CC1	180243466	CWBIEFLAUQBSTI-KRWDZBQOSA-N	323.408	3.081	10	20	DGCD	
COc1ccc(O)c(CNC(C)(C)c2ccccc2OC)c1	182153154	BQAAOECYPSQWMF-UHFFFAOYSA-N	301.386	3.434	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1	185442644	YSYQAWHYVZFTNH-KGLIPLIRSA-N	320.433	3.361	10	20	DGCD	
C[C@@H](Nc1cnn(Cc2ccncc2)c1)c1ccc(F)cc1O	186389425	DNPLCUDNNAPTOJ-GFCCVEGCSA-N	312.348	3.344	10	20	DGCD	
CCCN(CCC)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	264775343	SOOSWWATQMMHPW-JXMROGBWSA-N	316.445	3.185	10	20	DGCD	
CO[C@H](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	266765271	DXLODPIZGNXJKX-OAHLLOKOSA-N	321.465	3.098	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1cc([N+](=O)[O-])ccc1O	273430973	VOJDUUFBEIPSOI-GFCCVEGCSA-N	315.373	3.217	10	20	DGCD	
CCC[C@@](C)(O)CN[C@@H](C)c1cc(Br)ccc1O	273467131	DZMSIINDUJZIHX-IINYFYTJSA-N	316.239	3.356	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCC[C@H](C)O)c1C	279125445	MMSPLWTWUHLPEZ-HNNXBMFYSA-N	314.429	3.293	10	20	DGCD	
CC[C@H](NCC1([S@@](C)=O)CCC1)c1ccc(N(C)C)cc1	281104318	QYVQAEZPFCJUNM-HRAATJIYSA-N	308.491	3.095	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2ccc(-n3cncn3)cc2)c(O)c1	285017845	HJBHHYGLIVKLCR-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@H](CC)c1ccc(F)cc1O	286055489	LFOIFFZMWKGMAU-CQSZACIVSA-N	321.396	3.077	10	20	DGCD	
COc1cccc(CNCc2cccc3c2OC(C)(C)C3)c1O	289489834	RKISKOFNWNANNT-UHFFFAOYSA-N	313.397	3.404	10	20	DGCD	
CC[C@H](NCc1ncccc1N(C)C)c1ccc(F)cc1O	289749758	LAVSRYCRNVMLPD-AWEZNQCLSA-N	303.381	3.233	10	20	DGCD	
CCN(CC)c1ccc(CNCc2nnc(C(C)C)[nH]2)cc1F	294915843	YJJQFTVAJUSYSE-UHFFFAOYSA-N	319.428	3.203	10	20	DGCD	
Oc1cc(OCc2ccccc2)ccc1CN1CCCOCC1	363847215	MMCPGTDNVWJRIK-UHFFFAOYSA-N	313.397	3.194	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1C[C@H]2CC[C@H]1C2	588403639	SVJZMSYVKSULNK-HTZZINGISA-N	301.386	3.052	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](C3OCCO3)C2)cc1C(C)C	738148982	NYKLOTZCOZEOPL-OAHLLOKOSA-N	319.445	3.409	10	20	DGCD	
COC(C)(C)CNC(=O)c1sccc1-n1c(C)ccc1C	742718099	JXWDVZOVERUXAG-UHFFFAOYSA-N	306.431	3.310	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC2C(C)(C)C2(C)C)c1	752021024	WHIASFPMSUASFB-SNVBAGLBSA-N	306.406	3.196	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(Br)c(F)cc1O)C(C)(C)O	756820570	YHHUJONALKALBM-SFYZADRCSA-N	320.202	3.104	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCCc1cccc(F)c1	759598272	VKKAPUMBDKTLAA-CLFYSBASSA-N	316.328	3.426	10	20	DGCD	
CCC[C@H](O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C	762423262	IBJVSCQZGUQOLQ-INIZCTEOSA-N	314.429	3.293	10	20	DGCD	
COc1ccc(N(C)Cc2cccc3nsnc23)cc1F	766089642	DLBRTZXPEYNBFQ-UHFFFAOYSA-N	303.362	3.475	10	20	DGCD	
CCn1c(C)nn(CN2CCCc3cc(OC)ccc32)c1=S	766341959	VGESGLXBLOROIL-UHFFFAOYSA-N	318.446	3.161	10	20	DGCD	
C[C@@H](NC(=O)N(C)C[C@H]1CCCCO1)c1ccc(N(C)C)cc1	773622695	RWOCTDWUXQOEOH-RHSMWYFYSA-N	319.449	3.024	10	20	DGCD	
CC(C)n1nccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775433304	ZXPZMUIVCLYIMP-ZDUSSCGKSA-N	315.421	3.413	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(C)C1)c1ccc(Cl)c(Cl)c1O	775498446	KFJRHAHIUBKLOO-BXKDBHETSA-N	303.233	3.444	10	20	DGCD	
CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(Cl)c1O	775513986	PXZOSMLCYNSRIJ-OIBJUYFYSA-N	305.205	3.004	10	20	DGCD	
CN1CCN(c2ccc(CN(CC3CC3)CC3CC3)cc2)CC1	775701672	JQOJVYJHUBOGHI-UHFFFAOYSA-N	313.489	3.060	10	20	DGCD	
Cc1ccc(C(=O)NC2(Cc3ccccc3)CCC2)c(O)c1O	780970602	YYQSUGSWGXPEMM-UHFFFAOYSA-N	311.381	3.301	10	20	DGCD	
CC[C@]1(C)Oc2ccc(NC(=O)c3cccc(O)c3O)cc2O1	785670075	LBPRLPDHENBOPX-QGZVFWFLSA-N	315.325	3.248	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2N(C)CCCC2(C)C)c1	790498151	PGSJJEJPWVSLEZ-DYVFJYSZSA-N	306.450	3.172	10	20	DGCD	
CC[C@@H](C)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	790512447	AGVQKYFSVFMZFD-HUUCEWRRSA-N	304.434	3.137	10	20	DGCD	
CCC1=C(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCO1	790913170	LEEULXFLEAFZGC-ZDUSSCGKSA-N	302.418	3.404	10	20	DGCD	
CCNc1cc(C)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1	790977737	ROBUVSSQNLOLDZ-TWGQIWQCSA-N	312.369	3.490	10	20	DGCD	
Cc1ccc(O)c(CNc2ncc(-c3cncc(F)c3)cn2)c1	798188953	NHUSZDVKKMSYDU-UHFFFAOYSA-N	310.332	3.304	10	20	DGCD	
C[C@@H](NC[C@@H](CO)CC1CCCC1)c1cc([N+](=O)[O-])ccc1O	798937661	NQOKREGYVSCXTF-OCCSQVGLSA-N	322.405	3.140	10	20	DGCD	
CC[C@@H](NCCOC[C@@H]1CCCO1)c1cccc(Cl)c1O	806139912	SHJBMRTVBSBTEF-SWLSCSKDSA-N	313.825	3.282	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C1CC(F)(F)C1	807837595	XCGKOULQLWPLPO-UHFFFAOYSA-N	310.127	3.361	10	20	DGCD	
CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	812347445	KWEMXGZXFKEJHM-CABCVRRESA-N	300.402	3.247	10	20	DGCD	
Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(O)c1O	813523598	USWYVAHZTHEWQB-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	816559183	AWILNVYBFFYTPJ-COLVAYQJSA-N	311.784	3.232	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@@H]2CCc3ccc(F)cc32)cc1	817938855	UOKSLRNVTCGJMM-RBUKOAKNSA-N	313.420	3.169	10	20	DGCD	
C[C@H]1C[C@H](NCCc2ccc(N)cc2)c2c(O)ccc(F)c21	817958410	VJMMGFQZLXUIHF-NHYWBVRUSA-N	300.377	3.494	10	20	DGCD	
C[C@H](N[C@@H]1CCCNCC1)c1cccc(C(F)(F)F)c1O	817969547	WSGMVWNDQCZSCG-WDEREUQCSA-N	302.340	3.204	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@@H](C)c2cc(F)ccc2O)s1	818355515	HAPRGKHNKXLEII-IUCAKERBSA-N	324.377	3.186	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCN(C)c2ccccc21)c1ccccc1O	827940364	CCGKXASMMMMYDO-CJNGLKHVSA-N	310.397	3.193	10	20	DGCD	
Cc1cc(CN[C@H](CCO)C2CC2)ccc1N1CCCCC1	828829183	QYRGRZUXAYOJHX-GOSISDBHSA-N	302.462	3.236	10	20	DGCD	
COc1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccccc2O)cc1	830141411	SPIYHFPWUQAILQ-DLBZAZTESA-N	311.381	3.163	10	20	DGCD	
COc1ccc(N(CC2CC2)C[C@H]2CC3(CC3)C(=O)O2)cc1	831588038	RWPLIPZBZVBRBL-MRXNPFEDSA-N	301.386	3.007	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@](C)(CC)OC	838660187	CRFAOZCKJPKBRK-SFHVURJKSA-N	321.465	3.099	10	20	DGCD	
COc1ccc([C@@H](CO)CN[C@H](C)c2cc(C)ccc2O)cc1	840808361	KAXWRCZCKLLSHA-GDBMZVCRSA-N	315.413	3.136	10	20	DGCD	
COc1cc(CNCCc2ccc(N)cc2)cc(Cl)c1OC	841035074	FESZOOTVKZWLFD-UHFFFAOYSA-N	320.820	3.272	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)C1SCCCS1	841381463	MMAJXSHIIWOZSQ-UHFFFAOYSA-N	322.499	3.099	10	20	DGCD	
C[C@H](NCc1cccc(N(C)C)n1)c1ccc(Cl)cc1O	841751195	MKIYJVLGUDTZEC-NSHDSACASA-N	305.809	3.357	10	20	DGCD	
C[C@H]1C(=O)CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1(C)C	846474163	RREGISBYVHWQJY-GWCFXTLKSA-N	323.820	3.303	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(OC)o2)cc1	846826234	QKWAWFMILZUDAF-UHFFFAOYSA-N	302.374	3.064	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1	848516913	FVNLPYOCYZBUOD-KRWDZBQOSA-N	311.385	3.438	10	20	DGCD	
CCc1cccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1O	848891547	ZYOWWLUIFSRUNE-QFBILLFUSA-N	314.473	3.403	10	20	DGCD	
CCc1cccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)c1O	848913189	QTWTURDMRXOKES-AZUAARDMSA-N	311.425	3.210	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2[C@@H](C)O)cc1	855868627	YQBJNAFJIUWQGL-CRAIPNDOSA-N	312.413	3.080	10	20	DGCD	
CCC1CN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1	861944102	NDXNEGFMZCUABU-UHFFFAOYSA-N	310.397	3.389	10	20	DGCD	
CCc1c(C(=O)NCc2cc(C)ccc2O)cnn1C(C)(C)C	862759174	XWAZHNPSPLMVAY-UHFFFAOYSA-N	315.417	3.145	10	20	DGCD	
CN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(N)cc1	877078032	AEKGUYOQSMBMFR-UHFFFAOYSA-N	312.417	3.374	10	20	DGCD	
COc1cccc(CNCc2ccccc2OCC(F)F)c1O	894766910	WXBHHHDEPFURML-UHFFFAOYSA-N	323.339	3.335	10	20	DGCD	
C[C@@H](Cc1cccnc1)NCc1cc(Cl)cc([N+](=O)[O-])c1O	897970558	SNUYCFPTYOSAPB-JTQLQIEISA-N	321.764	3.070	10	20	DGCD	
CNC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)c(C)c1	1322234056	OVGLKLKEEHUMLE-UHFFFAOYSA-N	322.767	3.465	10	20	DGCD	
CCc1cncc(C(=O)Nc2c(Cl)ccc3nonc23)c1	1323417706	IPOHZYKTOLJPRR-UHFFFAOYSA-N	302.721	3.086	10	20	DGCD	
CCn1cccc(CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)c1=O	1326722213	WMIOJSBRFGEBGV-ZFWWWQNUSA-N	312.413	3.220	10	20	DGCD	
CC(C)CCO[C@@H](C)C(=O)Nc1c(Cl)ccc2nonc12	1327167984	VMZIXYWKNYITGM-VIFPVBQESA-N	311.769	3.266	10	20	DGCD	
CC1(C)C[C@@H](C(=O)NCc2ccc(N)cc2)c2ccccc2O1	1576391200	SOQFRLRPBYCTKY-MRXNPFEDSA-N	310.397	3.230	10	20	DGCD	
O=C(c1cccc2c1CCNC2)N1CCCc2c(F)cccc21	1580824987	PFZKMQDSHTVBPO-UHFFFAOYSA-N	310.372	3.064	10	20	DGCD	
Cc1ccc(CN[C@H](C)[C@H](Cc2ccccc2)C(=O)O)c(O)c1	1600419870	QLTGRVVSDVALJB-PBHICJAKSA-N	313.397	3.122	10	20	DGCD	
CC(C)N1CCCC[C@@H]1CSc1ncc(C(=O)O)s1	1609706837	PLJZDJCTNNTRED-SNVBAGLBSA-N	300.449	3.196	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H](C)c2ncc(C(=O)O)s2)c(O)c1	1610490635	IVUSDTSHSROQRM-VHSXEESVSA-N	306.387	3.267	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@H]32)cc1	1776861185	MNZPRTTZQROJLQ-BURFUSLBSA-N	316.445	3.122	10	20	DGCD	
CN1CCC(CNCc2cc(Cl)cc(Cl)c2O)CC1	44515697	GDOZXKMCDGMDBO-UHFFFAOYSA-N	303.233	3.130	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc(NC(=O)C2CC2)c1	53914711	FOHCVJLVUKOAIG-UHFFFAOYSA-N	324.380	3.013	10	20	DGCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCC2)cc1	57512328	CQIUBRDRDFLRBI-SFHVURJKSA-N	316.445	3.060	10	20	DGCD	
CCCOCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	65538983	SZKLSTWVQIVNSK-UHFFFAOYSA-N	304.434	3.062	10	20	DGCD	
COc1ccc(CNCC(=O)N2CCCc3ccccc32)cc1C	65976795	LECFEVWYDRVTCN-UHFFFAOYSA-N	324.424	3.073	10	20	DGCD	
CCc1cccc(NC(=O)NCc2cccc(OC)c2O)c1	104976505	VAVKPPULITXHKS-UHFFFAOYSA-N	300.358	3.285	10	20	DGCD	
Cc1nc(COC(=O)c2sccc2-n2c(C)ccc2C)no1	105545267	GLJVGBQRTQBPHR-UHFFFAOYSA-N	317.370	3.204	10	20	DGCD	
Oc1ccccc1CN(CCc1ccccn1)C[C@@H]1CCCO1	111232945	MZFNTZPHFUWAEA-SFHVURJKSA-N	312.413	3.011	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)ccn1	119614484	SVZWKJQLYRCLSO-UHFFFAOYSA-N	308.385	3.088	10	20	DGCD	
Cc1cc(C(=O)N(C)[C@H](C)CO)c(C)n1-c1ccc(Cl)cc1	126855354	IGCPJKYELWCFCN-GFCCVEGCSA-N	320.820	3.200	10	20	DGCD	
Cc1cccc2c(CC(=O)N(C)Cc3ccccc3O)c[nH]c12	155814444	UHXNQAPCPXJPQO-UHFFFAOYSA-N	308.381	3.383	10	20	DGCD	
CC[C@H](NCCCc1cnn(C)c1)c1ccc(N(C)C)cc1	158293241	WTFVONZCNDVGDV-SFHVURJKSA-N	300.450	3.160	10	20	DGCD	
COc1cc(CN(C)C[C@H]2CCOC2)c(O)c(C(C)(C)C)c1	164460834	HFNZUVZDDNPUDK-CYBMUJFWSA-N	307.434	3.167	10	20	DGCD	
CSC(C)(C)CNCc1cc(Br)ccc1O	165020908	UWBOAOBKXHGAKT-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c(O)c1O	179515019	YCMCCLNWXSSRHF-HNNXBMFYSA-N	311.381	3.111	10	20	DGCD	
O=C(Nc1ccccc1)C1CCN(Cc2ccccc2O)CC1	179558222	IBOJJLRIFFYKJB-UHFFFAOYSA-N	310.397	3.243	10	20	DGCD	
C[C@H](NCC1CCOCC1)c1cc(Br)ccc1O	185260901	JVKLZENQUNCNED-JTQLQIEISA-N	314.223	3.232	10	20	DGCD	
CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc3ccccc3c2O)C1	185788233	DEWQJRMIIKIHIG-UKRRQHHQSA-N	312.413	3.207	10	20	DGCD	
COC1(CN[C@@H](C)c2ccc3ccccc3c2O)CCOCC1	186146946	SSZFHGROUPTMPK-AWEZNQCLSA-N	315.413	3.392	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1cccc(OC(F)F)c1	186940806	HZSGBTQQHPETQL-SECBINFHSA-N	323.295	3.190	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)CCC(=O)O)c(C)n1-c1ccccc1	237530505	NMYJRUYQCHLOPN-LBPRGKRZSA-N	314.385	3.077	10	20	DGCD	
CCC(CC)n1ccc(C(=O)NCc2ccc(N(C)C)cc2)n1	269258197	FKQBUEHRFWAWJQ-UHFFFAOYSA-N	314.433	3.240	10	20	DGCD	
COc1ccc(O)c(CN(C)C[C@@H]2OCCc3ccccc32)c1	271734299	OCQINZMNEGMYJD-IBGZPJMESA-N	313.397	3.147	10	20	DGCD	
CC[C@@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	272759030	PEPGOUOCUKYJLA-UKRRQHHQSA-N	322.424	3.103	10	20	DGCD	
CC[C@H](NC[C@@](C)(O)c1ccccc1)c1ccc(F)cc1O	286036778	KKGMESWMYUJTTE-FUHWJXTLSA-N	303.377	3.480	10	20	DGCD	
Cc1ccncc1CCCNCc1ccc(N(C)C)c(F)c1	289035925	AGWCLOULXVQDPU-UHFFFAOYSA-N	301.409	3.318	10	20	DGCD	
CC[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(F)cc1O	290243984	JIZUDAIZFAKBNX-RLFYNMQTSA-N	317.360	3.067	10	20	DGCD	
CCN(Cc1ccc(OCc2ccccc2)cc1O)[C@H](C)CO	292859048	VBVQFELMWBGRCJ-OAHLLOKOSA-N	315.413	3.174	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCCOC[C@H]2CCCO2)c(O)c1	293630679	HNORCKDQGKGDFM-HZPDHXFCSA-N	307.434	3.245	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](C3(C)OCCO3)C2)ccc1N(C)C	294450816	FUAMNIMEEMNYSG-QGZVFWFLSA-N	318.461	3.036	10	20	DGCD	
C[C@H]1CCC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1	303034205	YBRAJDXEDPCICB-YOEHRIQHSA-N	315.461	3.447	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC2(N(C)C)CCCCC2)c1	314422470	XUPFRJZLRPUMNT-CQSZACIVSA-N	306.450	3.316	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2OCCc3ccccc32)c1	371546736	NZKZLFSYQPNCOK-BFUOFWGJSA-N	313.397	3.365	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1	374499236	ZHSUYFKNINFFHN-KVSKMBFKSA-N	318.461	3.131	10	20	DGCD	
C[C@@H](N[C@@H]1CCSC1)c1ccc(Br)cc1O	381433292	BZEUXDDGOLEIIV-PSASIEDQSA-N	302.237	3.311	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1C[C@@H]2CCCN2c2ccccc21	492524837	ABNSZEAEKYGMME-IJDCCNJMSA-N	319.408	3.419	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCOCc2ccccc21	492703467	IJDWPEIDGFDTDB-VURMDHGXSA-N	314.772	3.312	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2c(c1)C(=O)CCC2	588405237	VJHVVKHDHZZWDS-UITAMQMPSA-N	323.348	3.269	10	20	DGCD	
CC[C@H](N[C@@H]1COC[C@@H]1C)c1cc(Br)ccc1O	699863966	KNKSUZIHAIFGSD-TVYUQYBPSA-N	314.223	3.230	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccccc2F)c1	728983778	GEAQYHCHFFGTMT-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NCC(C)C)cc1	741678291	NEFMMDPIADKAFP-INIZCTEOSA-N	319.493	3.125	10	20	DGCD	
CC[C@@H](OC)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	743749717	JTLWOZIUVCDANZ-GOSISDBHSA-N	314.429	3.178	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)Cc2ccco2)c1	756381167	XTRSYBXELXKYOX-NWDGAFQWSA-N	303.358	3.054	10	20	DGCD	
C[C@H]1C[C@@H](NCCCN2CCCCC2=O)c2c(O)ccc(F)c21	756553585	GYFSNNDIUQZLOE-GXTWGEPZSA-N	320.408	3.072	10	20	DGCD	
COc1cccc(CN2CCCO[C@H](c3ccccc3)C2)c1O	769318308	UHLHTGASZNJMLF-SFHVURJKSA-N	313.397	3.364	10	20	DGCD	
CCCCn1cc(CNCc2cc(OCC)ccc2O)c(C)n1	773409282	LKNRESCHPBEUQN-UHFFFAOYSA-N	317.433	3.386	10	20	DGCD	
O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cccc(O)c1O	776343077	OBRUONBXTWXBIG-UHFFFAOYSA-N	323.352	3.494	10	20	DGCD	
Cc1ccc(C(=O)NC[C@H](C)c2ccc(F)cc2)c(O)c1O	780907683	VPOXAMZLOKGWEQ-NSHDSACASA-N	303.333	3.079	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1scnc1COC	786330278	JEZRUGIQHJHVFW-UHFFFAOYSA-N	320.414	3.048	10	20	DGCD	
CCN1C(=O)/C(=C/c2nccn2-c2ccccc2)SC1=S	790212298	TULOBOYBPOSSLS-BENRWUELSA-N	315.423	3.093	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2CCC[C@H](C)CC2)c(O)c1	793171117	MNGQZEQMBMACEI-JSGCOSHPSA-N	306.406	3.169	10	20	DGCD	
CC[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1O	794818595	VRGOKIYMONDCNP-SJLPKXTDSA-N	317.404	3.484	10	20	DGCD	
CCOc1cccc(NCc2ccc(OC)cc2O)c1[N+](=O)[O-]	795284136	IPBMFBPNZOHXCF-UHFFFAOYSA-N	318.329	3.320	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccnn1CC	801549720	XOGMSXXRXJGLLI-UHFFFAOYSA-N	301.390	3.051	10	20	DGCD	
C[C@@]1(O)CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809593645	PSEZHDCLXIBFKV-OAQYLSRUSA-N	322.452	3.206	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)cc1)CC(C)(C)C	812795506	ZSVUOLMLYSNPJG-UHFFFAOYSA-N	303.494	3.306	10	20	DGCD	
CN(C)CCC1CCN(Cc2cc(Cl)c(F)cc2O)CC1	816495033	HVTXMAGSHUJISR-UHFFFAOYSA-N	314.832	3.348	10	20	DGCD	
Oc1c(CN2CCS[C@@H]3COCC[C@H]32)ccc2ccccc12	816520603	SVYIMJYLBLEAMR-IAGOWNOFSA-N	315.438	3.252	10	20	DGCD	
OC[C@]1(NCc2cc(Cl)c(F)cc2O)CCc2ccccc21	816558631	HHRTZGKXIHIDIS-QGZVFWFLSA-N	321.779	3.108	10	20	DGCD	
CC(C)[C@@]1(CO)CCCN(Cc2ccc(N(C)C)c(F)c2)C1	816662544	RJDQBQIOMSRVKJ-SFHVURJKSA-N	308.441	3.122	10	20	DGCD	
CCn1ncnc1CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21	817299169	WEIRUBIMPSBSBC-HNNXBMFYSA-N	314.433	3.142	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCC3(SC)CC3)C2)cc1	822493979	CWJWMNHIRFIGRT-AWEZNQCLSA-N	306.475	3.007	10	20	DGCD	
CSCC(C)(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839921014	GFZKMSBRKPUXEG-AWEZNQCLSA-N	322.518	3.497	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCCS1	839921263	YGCQMCGRQQGCKN-PBHICJAKSA-N	320.502	3.394	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C	840122434	DBUFXZRWMOELNA-WBMJQRKESA-N	307.434	3.252	10	20	DGCD	
C[C@@H](NC1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1O	841746156	VTFCMXUZBUEGBE-LLVKDONJSA-N	322.836	3.097	10	20	DGCD	
CCN(C(C)=O)c1nc(CN(C)c2ccc(OC)cc2)cs1	844353138	IBSZVTCOULANNT-UHFFFAOYSA-N	319.430	3.161	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)c1O	846164959	JKGGIIITZUVHPM-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCCC1(F)F	846477988	XAESWZPUGPDAJI-LLVKDONJSA-N	303.736	3.487	10	20	DGCD	
C[C@H](N[C@H](CO)C[C@H]1CCCO1)c1ccc2ccccc2c1O	886669863	FVKXRYBHWVHPAB-CWRNSKLLSA-N	315.413	3.126	10	20	DGCD	
CCc1nc(CCNCc2cc(C)cc(OC)c2O)cs1	894214998	OBGYRYVMESXBSB-UHFFFAOYSA-N	306.431	3.060	10	20	DGCD	
COc1cc(Br)cc(CN2CCC(F)CC2)c1O	895549622	MSEKTGGVJYRPAE-UHFFFAOYSA-N	318.186	3.097	10	20	DGCD	
OCCc1ccc(CNCc2cc(Cl)c(F)cc2O)cc1	898169571	HCGRKYQBSYNNKK-UHFFFAOYSA-N	309.768	3.009	10	20	DGCD	
Cc1n[nH]c(C)c1/C=C1\SC(=S)N(c2ccccc2)C1=O	915983459	GAQDRWXFWNHKEZ-JYRVWZFOSA-N	315.423	3.432	10	20	DGCD	
Cc1nccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1	917392437	WXUBKSSQOIEVHF-UHFFFAOYSA-N	324.428	3.048	10	20	DGCD	
c1cn(-c2ccc(CNCc3ccc4c(c3)CCCO4)cc2)cn1	921603383	GMPKNNMOLPUJGV-UHFFFAOYSA-N	319.408	3.487	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1cn(C)cn1	926596568	PWLXUVLBTTXQBP-LSDHHAIUSA-N	300.450	3.076	10	20	DGCD	
CCOC(=O)[C@H](NCc1ccc(N(CC)CC)c(F)c1)C1CC1	1116755942	XXXJGPXXCWRPHD-QGZVFWFLSA-N	322.424	3.103	10	20	DGCD	
COc1cc(CN2CC[C@H](CCCO)C2)c(O)c(C(C)(C)C)c1	1261677616	WXEFOISMMUSLPO-AWEZNQCLSA-N	321.461	3.293	10	20	DGCD	
Cn1ccnc1[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1321026145	XMXZRYPCWMZEBO-GOSISDBHSA-N	324.472	3.400	10	20	DGCD	
N[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H]1c1ccccc1	1326517589	HFNOKPDLSNLELS-LEWJYISDSA-N	321.468	3.214	10	20	DGCD	
CS[C@@H]1CCC[C@H](NC(=O)NCc2cc(C)ccc2O)C1	1330699271	SWPOFTZTMLVVLA-UONOGXRCSA-N	308.447	3.174	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@@H](C)C[C@H](C)C1	1340779121	MPMWNUFRKWHJND-QWRGUYRKSA-N	306.435	3.214	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc3c(c2)CCCC3)c1	114542220	SMYRDXYKEVGHES-UHFFFAOYSA-N	311.381	3.210	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2o1	29397203	LPSXQPNXOLGCIG-UHFFFAOYSA-N	323.396	3.301	10	20	DGCD	
C[C@H]1CC[C@H](CCC(=O)NCc2ccc3c(c2)CCCN3C)O1	175788002	DQCWRVPVOPNYLQ-WMLDXEAASA-N	316.445	3.033	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)o1	67247439	VKGAALSBPWJXIS-UHFFFAOYSA-N	314.429	3.087	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCCc2ccc(F)cc21	171447139	WDFHCKXYLARMJN-ZZXKWVIFSA-N	300.308	3.352	10	20	DGCD	
CSC[C@@H](CCO)N[C@@H](C)c1ccc(N2CCCCC2)cc1	305102983	AMUQJBJBBAJHIR-DOTOQJQBSA-N	322.518	3.442	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(OC(C)=O)cc2)cc1F	124455859	FZLKTGCSUGNFED-UHFFFAOYSA-N	303.333	3.396	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2ncccc2c1	185389604	ILQHCBPUDMPSIM-GFCCVEGCSA-N	322.364	3.007	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1	76991076	GJYNSWBKBILURP-UHFFFAOYSA-N	320.732	3.226	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@@H](O)c1c(F)cccc1F	123982247	ZTBZCQYYPCZRPK-CQSZACIVSA-N	313.731	3.147	10	20	DGCD	
CN(C(=O)/C=C\c1cncc(F)c1)c1cccc2ncccc12	255374357	IPKZWLANXVZOBK-FPLPWBNLSA-N	307.328	3.445	10	20	DGCD	
CO[C@H]1CCCC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C	352080365	XVTBKHTVGDNIDQ-QAPCUYQASA-N	314.429	3.308	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1CCCCN1Cc1ccccc1	269138811	LBLQKAUKVXKJDT-SFHVURJKSA-N	324.424	3.063	10	20	DGCD	
CC[C@H](NC[C@H](O)c1ccc(OC)cc1)c1ccc(C)cc1O	280048444	JKUUSQJABUWPSY-HKUYNNGSSA-N	315.413	3.484	10	20	DGCD	
Cc1cc(CN[C@@H]2CCCC23CCOCC3)ccc1N(C)C	282103855	ISZMEEHURYKGLP-GOSISDBHSA-N	302.462	3.500	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCO1	283761192	MXGMHYLUKYZOSP-MRXNPFEDSA-N	320.433	3.273	10	20	DGCD	
Cc1cccc([C@@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)c1	294962899	NOOMUSYSMFYBBT-CYBMUJFWSA-N	315.344	3.175	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C2(c3cccnc3)CCCC2)cc1	808027210	HLWFSTVZJRGBNU-UHFFFAOYSA-N	323.440	3.276	10	20	DGCD	
CN(CCCn1ccnc1)Cc1cc(Cl)cc(Cl)c1O	290323534	DEDBKIDPZNRWPA-UHFFFAOYSA-N	314.216	3.418	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCSCCCO)c1O	808692842	VDAANUGJAATUGS-NSHDSACASA-N	303.855	3.120	10	20	DGCD	
CN(Cc1cccc(C(N)=O)c1)Cc1ccc2ccccc2c1O	816494014	VTYYESOKRNSJEZ-UHFFFAOYSA-N	320.392	3.276	10	20	DGCD	
Oc1c(CNCc2cn3ccccc3n2)ccc2ccccc12	816529724	FKTNPEWLITWJSQ-UHFFFAOYSA-N	303.365	3.483	10	20	DGCD	
CC1(C)CN(C(=O)c2cc(O)cs2)Cc2ccccc2O1	811552321	OXQDIPLJBMPFBH-UHFFFAOYSA-N	303.383	3.267	10	20	DGCD	
Cc1ccc2c(c1)CN(C(=O)c1cccc(O)c1O)C(C)(C)C2	818647747	DJTNTZYHBDUTNF-UHFFFAOYSA-N	311.381	3.383	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN1)c1ccc(N2CCCCC2)c(F)c1	817952802	SUHLOQFKPPKBLB-HOCLYGCPSA-N	305.441	3.219	10	20	DGCD	
C[C@@H](NCC1CCNCC1)c1ccc(N2CCCCC2)c(F)c1	817941719	VWWFBNUFXLVYRA-OAHLLOKOSA-N	319.468	3.466	10	20	DGCD	
COCC1(CNCc2cc(Cl)cc(OC)c2O)CCCC1	825245681	PAFAIXGAKLRDSY-UHFFFAOYSA-N	313.825	3.351	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1ccccc1O	827930350	HOIWEQGDROQGHU-QAPCUYQASA-N	324.424	3.234	10	20	DGCD	
Cc1cc(CN2CCC[C@]2(C)CO)ccc1N1CCCCC1	828869016	YHKRMNHWWUXLIF-LJQANCHMSA-N	302.462	3.332	10	20	DGCD	
Cc1cc(C(=O)CN2CC[C@H](C)C2)c(C)n1-c1ccc(F)cn1	827634930	GPBJCDZRBZUPOG-LBPRGKRZSA-N	315.392	3.153	10	20	DGCD	
CN(C)c1ccc(/C=C/CNC2(CC(=O)O)CCCC2)cc1	901687502	QIQOAOAKXSDBKU-AATRIKPKSA-N	302.418	3.143	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC(C)(C)C(C)(C)C)c1	838474237	HOPMUCZAUFLPSG-UHFFFAOYSA-N	308.422	3.272	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2C[C@H]2C)cc1	916639786	OFANGZWBEQCSRR-ZBFHGGJFSA-N	303.450	3.330	10	20	DGCD	
C[C@@H](CNCc1ccc(N(C)Cc2cccs2)cc1)C(=O)O	848640977	XGMHRPUNRKIEFW-ZDUSSCGKSA-N	318.442	3.195	10	20	DGCD	
CC[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)(F)F	840514877	LXMAOXWXEYMOTI-RWCYGVJQSA-N	317.307	3.206	10	20	DGCD	
CCOc1cc(C)ccc1NC(=O)NCCc1ccc(N)cc1	841057977	COBLUTFGYSQXDT-UHFFFAOYSA-N	313.401	3.340	10	20	DGCD	
CC(C)c1ccccc1/C=C1\SC(N2CCOCC2)=NC1=O	848639452	VDXPBCAFNKMUAX-PTNGSMBKSA-N	316.426	3.113	10	20	DGCD	
C[C@H](CC(=O)c1ccccc1F)C(=O)NCc1ccccc1O	743328851	WAOYTQRNEPUZEP-GFCCVEGCSA-N	315.344	3.057	10	20	DGCD	
C[C@@H]1Cc2cc(NCc3ccc(N4CCOCC4)cc3)ccc2O1	846745519	IAZSLWVULZWEGE-OAHLLOKOSA-N	324.424	3.459	10	20	DGCD	
CCc1cccc(CNC(C)(C)C(=O)NCC2CCCC2)c1O	848900159	YCJAUOWGMRASBS-UHFFFAOYSA-N	318.461	3.129	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCc3c(cnn3C)C2)cc1	840954964	OAZBFMNQTWCRED-UHFFFAOYSA-N	312.461	3.215	10	20	DGCD	
N[C@@H]1CCC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@@H]12	843058026	LMVDYHYGRKWAIU-DFQSSKMNSA-N	313.489	3.236	10	20	DGCD	
C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1	920053454	DWNRCVVXVUPDFA-CQSZACIVSA-N	315.461	3.473	10	20	DGCD	
CN(CCC(=O)O)Cc1ccc(N(C)Cc2cccs2)cc1	840997204	MVWZCIJWPVRNJS-UHFFFAOYSA-N	318.442	3.291	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CCCC(C)=O)cc1	920436368	ICBJNXLWSRTOBM-UHFFFAOYSA-N	304.434	3.251	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2COc3ccccc3C2)c1	756459797	XIRPCCALCQDVNA-ZIAGYGMSSA-N	313.397	3.303	10	20	DGCD	
Cc1ncoc1C(=O)N(Cc1ccco1)Cc1ccccc1O	751066222	DTWWLTVLOKDYCV-UHFFFAOYSA-N	312.325	3.124	10	20	DGCD	
C[C@H](NCCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O	756340093	HVODRDARAMIKDF-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
Cc1nccn1CCCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	756434011	SWALXXVXFWHSDJ-FZMZJTMJSA-N	303.381	3.264	10	20	DGCD	
CC[C@@H](C)N(CC)C(=O)NCCCSc1nccs1	853855838	HXDHYZHVWJYMRN-LLVKDONJSA-N	301.481	3.455	10	20	DGCD	
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N[C@H](C)c1ccccc1O	868617171	ABRYQBFRDBEBNI-PEBVRCNWSA-N	312.369	3.275	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C2C3CC4CC(C3)CC2C4)c1	769542614	ICBQWYVLLKQJRG-UHFFFAOYSA-N	315.413	3.089	10	20	DGCD	
C[C@H]1c2c(F)cccc2CCN1Cc1cc2c(cc1O)OCO2	769423852	IBOKQAVLIHJZQB-NSHDSACASA-N	315.344	3.379	10	20	DGCD	
CCOc1ccc(CN2CCc3ccc(F)cc3C2)c(O)c1	769403291	BTXPNYXWMCJYMX-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
COCc1ccc([C@H]2CCCN2C(=O)c2cc(O)cs2)o1	768737461	PSLNBVIDJYWMEC-GFCCVEGCSA-N	307.371	3.170	10	20	DGCD	
Cc1ccc(CN[C@@H](c2nc(C3CC3)no2)C(C)C)c(O)c1	877149568	CQQFANPUEGDUQB-OAHLLOKOSA-N	301.390	3.448	10	20	DGCD	
CCOc1cccc(F)c1CNCc1ccc2c(c1)CCO2	873035712	JYCPGLIWTXBBOY-UHFFFAOYSA-N	301.361	3.449	10	20	DGCD	
Oc1ccc2c(c1)CN(Cc1cc(Cl)cc(F)c1O)CC2	775655133	AHTBXLVLBDTGGK-UHFFFAOYSA-N	307.752	3.449	10	20	DGCD	
CC(C)c1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[nH]1	1116660983	GSLPNQWQFLBUOR-GFCCVEGCSA-N	300.406	3.090	10	20	DGCD	
Cc1ccc(CN[C@@H]2CCCN(C3CCCCC3)C2=O)c(O)c1	877463514	DXPXVVLSNZMBQV-QGZVFWFLSA-N	316.445	3.114	10	20	DGCD	
C[C@](O)(CNCc1cc(Cl)cc(F)c1O)c1ccsc1	776208715	KVERLOYYTUKFCC-AWEZNQCLSA-N	315.797	3.244	10	20	DGCD	
Cc1cscc1CNC(=O)N(C)Cc1ccc(N(C)C)cc1	787337369	KKKRWVAWKWFVMP-UHFFFAOYSA-N	317.458	3.464	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCO[C@H]1c1ccccc1	883192497	AKSPFCYCHBBNAL-WBVHZDCISA-N	305.324	3.290	10	20	DGCD	
CC(C)[C@H](CNCc1ccc(N(C)C)cc1)c1ccnn1C	788076388	MVUXKQFETALFPC-KRWDZBQOSA-N	300.450	3.016	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N(CC(F)(F)F)c1ccccn1	783928934	UXSBFTAORVTUNI-AATRIKPKSA-N	321.302	3.394	10	20	DGCD	
CC(C)[C@H](NCc1c(O)cccc1Cl)[C@H](O)C(F)(F)F	894682890	DEZMMZRXWJSCQH-RYUDHWBXSA-N	311.731	3.083	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2CCC[C@H](C(C)C)C2)c(O)c1	792983960	GTZJAGLAUDPVBG-ZFWWWQNUSA-N	320.433	3.415	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCC1CCOCC1	798441627	VPYJIXONWREDNW-UHFFFAOYSA-N	318.461	3.274	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1)c1ccc(Cl)cc1Cl	797427726	AEAMJLJTJLWKHF-UHFFFAOYSA-N	318.181	3.500	10	20	DGCD	
COC(=O)c1csc([C@@H](C)NCc2ccc3c(c2)CCO3)c1	796739311	QRRKEHGKPAOHKT-LLVKDONJSA-N	317.410	3.320	10	20	DGCD	
COc1ccc(CNC(=O)CSc2ccc(C)cc2)c(O)c1	794377982	OEQWUQASCPVSSV-UHFFFAOYSA-N	317.410	3.118	10	20	DGCD	
C[C@@H](c1ncc(Br)cn1)N(C)Cc1ccccc1O	798194730	AEVUWEHVHZXNFS-JTQLQIEISA-N	322.206	3.138	10	20	DGCD	
CC[C@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	397788715	AABMZCCFBRUTSL-HNNXBMFYSA-N	320.433	3.300	10	20	DGCD	
CN[C@H](C)CCN[C@H](C)c1cc(Br)cc(C)c1O	1326035740	MEMAXTPTTKJAEH-GHMZBOCLSA-N	315.255	3.112	10	20	DGCD	
O[C@@H]1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(N2CCCC2)cc1	1327951723	JXWRJUZHIPHUPB-VAMGGRTRSA-N	314.473	3.412	10	20	DGCD	
Cn1cc([C@@H](N[C@H]2CCc3cccc(O)c32)c2ccccc2)cn1	1324601143	HNFRJEYMBKUWKY-PXNSSMCTSA-N	319.408	3.492	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1CCCC(F)(F)[C@H]1O	1331382485	LAQRSANQEFQPKX-BUWBCJGYSA-N	311.372	3.387	10	20	DGCD	
O=C(O)CCC1(NCc2cc(F)c(F)cc2O)CCCCC1	1601974512	GJFWCYYPQXMDDN-UHFFFAOYSA-N	313.344	3.328	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCc2ccccc2[C@@H]1C(=O)O	1600237227	VEWVEVLPUBKUFV-LJQANCHMSA-N	324.424	3.245	10	20	DGCD	
Cn1cc(CNCCc2ccc(N)cc2)c(-c2ccc(F)cc2)n1	1579963872	AMYGQUITCDPXBJ-UHFFFAOYSA-N	324.403	3.141	10	20	DGCD	
CCOCc1cc(CN[C@@H](CCC(C)C)C(=O)O)ccc1OC	1776907064	AHBBKGBQZRMVDU-INIZCTEOSA-N	323.433	3.211	10	20	DGCD	
Cc1ccc(NC(=S)NNc2ccc(C(=O)O)cc2)cc1C	7521961	WCDSZJLVHFKJAD-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc3cc[nH]c3c2)c1	103529740	KVTRBIQVKXWRFD-NSHDSACASA-N	310.353	3.373	10	20	DGCD	
CSCC[C@H](C)NCc1cc(Br)ccc1O	130767480	UOGZCXATGOPGEW-VIFPVBQESA-N	304.253	3.386	10	20	DGCD	
CN(CC1CCCC1)C(=O)NCCCSc1nccs1	154669560	VDNMXGWOUOTKRO-UHFFFAOYSA-N	313.492	3.457	10	20	DGCD	
CC[C@H](NCCCOC[C@H]1CCOC1)c1ccc(N(C)C)cc1	158213075	BRUNNPZREDULLO-APWZRJJASA-N	320.477	3.237	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)C(C)C)CC2)cc1	171938440	VLIZCZSAQIVAKD-AWEZNQCLSA-N	304.434	3.072	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](Cc3nccn3C)C2)cc1C	182093761	CLMPTIMPKHINCH-INIZCTEOSA-N	313.445	3.197	10	20	DGCD	
C[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc2ccccc2c1O	184862176	ACKSHHDCMBKARR-CYBMUJFWSA-N	320.392	3.495	10	20	DGCD	
O=C(c1cccc(O)c1O)N(Cc1ccccc1)CC(F)F	185761058	SPZILAFCZVWNME-UHFFFAOYSA-N	307.296	3.005	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1	186354985	WZEHTVZGWQUYOY-KYABYICQSA-N	317.429	3.399	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1ccccc1)c1ccc(F)c(F)c1O	187720107	YMWMBMGAXJWPAZ-APPDUMDISA-N	307.340	3.229	10	20	DGCD	
CCOC(C)(C)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	188682899	WQJKWULAUMRYBR-CQSZACIVSA-N	324.440	3.128	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCc2c1cccc2C(F)(F)F	189922999	GGHAVNVNQBAIMZ-UHFFFAOYSA-N	323.270	3.320	10	20	DGCD	
C[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C[C@@H]1n1ccnc1	191442906	SJPKRNAHUGEQES-RISCZKNCSA-N	323.799	3.464	10	20	DGCD	
COc1ccc(CNC[C@@](C)(O)c2cc(C)oc2C)cc1C	266155272	LPTRQUXVTQYEID-GOSISDBHSA-N	303.402	3.211	10	20	DGCD	
CCOCc1cc(CN[C@@]2(C)CCO[C@H]2C2CC2)ccc1OC	273167530	VFRKSPMSIJHTHJ-OALUTQOASA-N	319.445	3.279	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@@H](C)c2cc(Cl)ccc2O)cn1	279014669	HEIMOIDGRLVAEN-JTQLQIEISA-N	319.792	3.250	10	20	DGCD	
COc1ccc(O)c(CNC[C@]2(C)OCCc3sccc32)c1	291653103	URVDAUYQYGECAK-KRWDZBQOSA-N	319.426	3.040	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ncc(Br)cn1	301306860	VEWVZARNGZWTMQ-UHFFFAOYSA-N	321.222	3.226	10	20	DGCD	
Cn1ccc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc21	588406148	QAPOZHZLRRFXEH-CLTKARDFSA-N	308.337	3.241	10	20	DGCD	
C[C@@H]1C[C@@H](CNCc2ccc(Br)cc2O)CCO1	691488044	KJBCAAHHWIRDAZ-MNOVXSKESA-N	314.223	3.059	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCCC[C@@H]2CC(=O)O)c1	736294685	NWAIHJOWBNMLMQ-CQSZACIVSA-N	321.417	3.225	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCc2ccccc2C)c1	756356455	DFMAVKCYKDYMQA-CQSZACIVSA-N	313.397	3.381	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](CO)c2ccccc2C)c1	756635837	HRVXHPBRWMEZRH-SUMWQHHRSA-N	301.386	3.093	10	20	DGCD	
C[C@H](N[C@H](C)CCCO)c1cc(Br)c(F)cc1O	756647992	VFWMNSJZZUZZMC-BDAKNGLRSA-N	320.202	3.105	10	20	DGCD	
C[C@H](N[C@@H](CCO)C1CCCCC1)c1cc([N+](=O)[O-])ccc1O	756660179	KJIGIIVNAKOEEU-LRDDRELGSA-N	322.405	3.282	10	20	DGCD	
COc1ccccc1N(C)C(=O)/C=C\c1ccc(Cl)nc1	758544346	BEFXIAFFRBFBIB-NTMALXAHSA-N	302.761	3.420	10	20	DGCD	
CC[C@@H](C[C@@H](C)CO)NC1CCN(c2ccc(OC)cc2)CC1	766360888	OVVCGHOXEUUICE-CVEARBPZSA-N	320.477	3.051	10	20	DGCD	
COc1cccc(O)c1CN1CC=C(c2ccc(O)cc2)CC1	768215680	KYEROVHWHXLWEW-UHFFFAOYSA-N	311.381	3.396	10	20	DGCD	
Nc1ncc(CN(Cc2ccccc2O)C2CCCC2)s1	769386643	CVLZEJXPDBJACH-UHFFFAOYSA-N	303.431	3.376	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC=C(C(C)(C)C)CC2)c1O	774912436	BLJJNUXKBQIORU-UHFFFAOYSA-N	320.389	3.487	10	20	DGCD	
COCCC1(CNCc2c(O)cccc2OC)CCCCC1	775374156	HWXFGYRFFSVJFY-UHFFFAOYSA-N	307.434	3.477	10	20	DGCD	
COc1cc(Cl)ccc1NC(=O)NCc1ccccc1O	776077555	JGLRQYJNMYBXMA-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
CN1CCN(c2ccc(CNc3ccc(Cl)cn3)cc2)CC1	777507024	MHNGPRXEMXSVDU-UHFFFAOYSA-N	316.836	3.099	10	20	DGCD	
COc1cc(N2CCC[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC	780638324	AHMGRAZTOKYSND-LBPRGKRZSA-N	308.378	3.484	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC(OC[C@H]3CCOC3)CC2)c1	784000853	IZEBYXUUIQRWIX-INIZCTEOSA-N	319.445	3.027	10	20	DGCD	
COC(=O)c1ccccc1CN(C)c1ccc(OC)cc1OC	784205295	QZIIONROGXFLLZ-UHFFFAOYSA-N	315.369	3.127	10	20	DGCD	
CC(C)[C@@H](CNCc1cc(Cl)ccc1O)c1ccnn1C	788077454	VIECIMMCVLQBNE-CQSZACIVSA-N	307.825	3.309	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC)cc1O	792833368	AMXGXWXQYFZRLF-WFASDCNBSA-N	306.406	3.169	10	20	DGCD	
CC(C)(C)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	794706327	OVZRDCCQHSSANP-BBRMVZONSA-N	305.418	3.076	10	20	DGCD	
CCc1ccc([C@H](O)CNCc2cc(Cl)ccc2O)cc1	796452881	ZYHSMLPDVBGREA-QGZVFWFLSA-N	305.805	3.431	10	20	DGCD	
CCc1ccnc(CNC(=S)Nc2cccc(OC)c2)c1	797793573	QTGLRWLCHLDWQO-UHFFFAOYSA-N	301.415	3.139	10	20	DGCD	
CNC(=O)Cc1ccc(NCc2ccc3ccccc3c2O)cc1	816522814	PGZDCEJEWCJIQU-UHFFFAOYSA-N	320.392	3.446	10	20	DGCD	
CCC[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cccnc1	817942912	RMZKZJRKYOUDFF-RTBURBONSA-N	312.461	3.278	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)OC3CCCC3)C2)cc1	819888506	WVANIANQHXOTKT-CQSZACIVSA-N	318.417	3.190	10	20	DGCD	
CCn1nnc(C)c1CN(CC(C)C)c1ccc(OC)cc1	828206488	XFCPVGGMZXIGOT-UHFFFAOYSA-N	302.422	3.278	10	20	DGCD	
COc1ccc(N(CC2CC2)C[C@H](O)CC(F)(F)F)cc1	831587804	MHRZKHSTLBZTQV-CYBMUJFWSA-N	303.324	3.225	10	20	DGCD	
Cc1cncc(/C=C\C(=O)N2CCCc3c(C(=O)O)cccc32)c1	832985939	CVOKVQOUBZCPRJ-FPLPWBNLSA-N	322.364	3.081	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCCc3c(F)ccc(Cl)c32)cn1	839440883	APYWQDYHZWLVQB-DAXSKMNVSA-N	319.767	3.205	10	20	DGCD	
CCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1	840489753	TYBNBZOQKNUPBP-CQSZACIVSA-N	303.450	3.186	10	20	DGCD	
COc1ccc(NC(=S)NCc2ccc(C)c(C)n2)cc1	840844433	RTETXEIVXIZBLN-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
COc1ccc(C[C@H](C)CNCCc2ccc(N)cc2)cc1F	841036537	ULIOFWBJGDNTFP-AWEZNQCLSA-N	316.420	3.427	10	20	DGCD	
CCC1(CC)[C@H](NC(=O)Nc2ccc(N)cc2)[C@H](C)[C@H]1OC	841295581	BVCYYYKCXICKHD-NILFDRSVSA-N	305.422	3.230	10	20	DGCD	
C[C@H](NCc1nn(C)cc1Cl)c1ccc(Cl)cc1O	841757975	QMGGDYOOSKJHMX-QMMMGPOBSA-N	300.189	3.283	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H]3CCC[C@@H](N)[C@H]3C2)cc1	843057392	CXGVBKWHQQDRJB-YTQUADARSA-N	301.478	3.092	10	20	DGCD	
COCc1cccc(CN[C@H](C)c2cccc(OC)c2O)c1	846140117	GKZKHHOMQRQXCS-CYBMUJFWSA-N	301.386	3.398	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)C1(C(F)(F)F)CCC1	846476865	PEHATYWZQPNDMV-UHFFFAOYSA-N	307.699	3.394	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](C)C(=O)OC(C)(C)C	848926063	KPMVDLJABAPHGX-CQSZACIVSA-N	306.450	3.128	10	20	DGCD	
Cc1ccc(CNC(=N)NCc2ccc(N(C)C)c(F)c2)cc1	848998943	IOYZBYFUCHAPMH-UHFFFAOYSA-N	314.408	3.014	10	20	DGCD	
N=C(NCc1cc(Cl)cc(Cl)c1O)N1CCCCC1	849028429	KHFFZAKLPDSODK-UHFFFAOYSA-N	302.205	3.209	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H]1c1ccc(F)cc1)OCO2	853544561	WBYBYOORXYWWGY-CQSZACIVSA-N	301.317	3.207	10	20	DGCD	
CO[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)C1CC1	863164716	TUWDOMVFHJDWEO-SFHVURJKSA-N	312.413	3.135	10	20	DGCD	
COc1cc(C)cc(CNc2ccc(N3CCCC3)cn2)c1O	894200350	RBFKEWBTCZCRAZ-UHFFFAOYSA-N	313.401	3.317	10	20	DGCD	
COc1cc(C)cc(CNCCSCC(F)(F)F)c1O	894361617	KWSMWWQSNDMOJA-UHFFFAOYSA-N	309.353	3.094	10	20	DGCD	
C[C@](O)(CNCc1cccc(Cl)c1O)c1cccc(F)c1	896563693	LDANZODIEBJGDQ-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1cccc(F)c1)c1cc(F)ccc1O	903312277	YKLMHLYYWIXEKK-DIFFPNOSSA-N	307.340	3.229	10	20	DGCD	
CCCOc1ccc(CNCC2CC3(C2)OCCO3)cc1C	922802623	OGCNQBWDVKYNPQ-UHFFFAOYSA-N	305.418	3.027	10	20	DGCD	
COc1ccc(CNC[C@H]2CC[C@@H](NC(=O)C(C)C)C2)cc1C	994771834	RFYUKKGYBOEAOL-DLBZAZTESA-N	318.461	3.034	10	20	DGCD	
CC(C)(C)[C@@H]1CCN1C(=O)NCCCSc1nccs1	1123517326	LNDZNJCFKFKNKT-NSHDSACASA-N	313.492	3.455	10	20	DGCD	
CCn1c(C(=O)NCCc2ccc(O)c(O)c2)cc2ccccc21	1319874589	PTRNJBMUFLQRPY-UHFFFAOYSA-N	324.380	3.045	10	20	DGCD	
CN1CCN(c2ccc(CNCC3CC(C)(C)C3)cc2F)CC1	1320547031	ATSRCWFASZQDPG-UHFFFAOYSA-N	319.468	3.103	10	20	DGCD	
O=C(O)c1cccc(CNCc2ccc(N3CCCC3)cc2)c1	1332420133	KMYBNORFEPCVAK-UHFFFAOYSA-N	310.397	3.275	10	20	DGCD	
CCCOc1ccc(CN[C@@H](CC(F)(F)F)C(=O)O)cc1C	1334778316	GLGGNATUARVQCY-LBPRGKRZSA-N	319.323	3.279	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@@H](C)S[C@H](C)C1	1340026813	TZAKARUFRXSRPH-NXEZZACHSA-N	324.475	3.062	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cc(C)c(C(=O)O)[nH]1	1596365025	XBJICSXIVUTXNO-UHFFFAOYSA-N	315.417	3.109	10	20	DGCD	
Cc1cc(Cl)nc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)c1	1600220166	LNLGHXDDWFFWDU-JTQLQIEISA-N	320.776	3.298	10	20	DGCD	
C[C@H](NC1CCN(C(C)(C)C)CC1)c1cc(C(=O)O)ccc1O	1609774936	DBDYUPWXEDCFJV-LBPRGKRZSA-N	320.433	3.004	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CC[C@H](C)C2)cc1F	1776861155	HWYFJJFOCUYMEJ-SCLBCKFNSA-N	322.424	3.405	10	20	DGCD	
O=C1/C(=C\c2ccsc2)SC(=S)N1Cc1ccon1	178018074	QOLWEBKAHKIQKK-BJMVGYQFSA-N	308.409	3.138	10	20	DGCD	
Cc1ccc(F)cc1NC(=O)[C@H](C)N(C)Cc1ccccc1O	109769627	ZOSYNQQDCSYJQQ-ZDUSSCGKSA-N	316.376	3.299	10	20	DGCD	
O=C(Cc1ccc(F)cc1)NCc1c(O)ccc2c1CCCC2	174517194	IMLJAEPFDBVAIE-UHFFFAOYSA-N	313.372	3.269	10	20	DGCD	
CCC[C@@H](CCO)CNCc1cccc(Br)c1O	231386867	WXQPCFRUMSYZAZ-NSHDSACASA-N	316.239	3.043	10	20	DGCD	
Cc1cc(C(=O)OCc2ccccn2)c(C)n1-c1ccccn1	120088677	MQFMKSJWNBGCSU-UHFFFAOYSA-N	307.353	3.241	10	20	DGCD	
C[C@H](NCCN(C)Cc1ccc(F)cc1)c1cc(F)ccc1O	185647591	OQWPFQXGJGXHNI-ZDUSSCGKSA-N	320.383	3.453	10	20	DGCD	
CC[S@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2ccc(C)cc2O)C1	185657822	FJASGGPQGYOTMG-ZYKFEASCSA-N	309.475	3.431	10	20	DGCD	
COc1c(C)ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1C	180921532	RWQIAQJMJRTFIX-RMKNXTFCSA-N	313.353	3.375	10	20	DGCD	
CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1ccccc1O	186215819	MPYSSXTYQZQBIS-WBVHZDCISA-N	320.433	3.127	10	20	DGCD	
CO[C@H](C)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	189097245	FJTWZRWXCJREPL-CQSZACIVSA-N	300.402	3.167	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccco2)cc1	193412760	IWYHJWCOFSGFNB-UHFFFAOYSA-N	315.417	3.467	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1ccc(OCC(F)(F)F)cc1	49391055	PMPXKQGGSHEKPQ-UITAMQMPSA-N	319.329	3.117	10	20	DGCD	
CCc1ccc(CN(C(=O)c2cccc(O)c2O)C2CC2)cc1	192975716	BGXLJQQCDWQURE-UHFFFAOYSA-N	311.381	3.465	10	20	DGCD	
Cc1csc([C@H]2COCCN2Cc2cc(C)c(C)cc2O)n1	190411963	YSEFQQJIBIRVNB-OAHLLOKOSA-N	318.442	3.347	10	20	DGCD	
CCCCO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C1(C)C	236848538	FKGKIHLAHCHUIP-IAGOWNOFSA-N	318.461	3.254	10	20	DGCD	
CCOC(=O)CN(Cc1cc(Cl)cc(Cl)c1O)C1CC1	91773097	SEIHVPRVZFBSPT-UHFFFAOYSA-N	318.200	3.227	10	20	DGCD	
CC[C@@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1O	527996750	FRIIQQWAZIBQMU-WBVHZDCISA-N	310.397	3.305	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1ccccc1OC1CCCC1	255112791	LJECKKIRMGQCMQ-UKTHLTGXSA-N	305.424	3.497	10	20	DGCD	
COC[C@@H](CCO)N[C@H](C)c1ccc(N2CCCCCC2)cc1	269011036	MSUJEINPFGLYLH-SJLPKXTDSA-N	320.477	3.115	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)c2ccn(C)n2)c1C	274760545	IBDFAZGPRPXTHO-UHFFFAOYSA-N	322.412	3.413	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@]2(N(C)C)CCSC2)c(O)c1C	273467880	FCGUOKZOLNZVSO-RHSMWYFYSA-N	308.491	3.097	10	20	DGCD	
CC[C@@H](NCC1([S@](C)=O)CCC1)c1cccc(Cl)c1O	287115056	QSJPOMXCEFOFID-XCLFUZPHSA-N	315.866	3.388	10	20	DGCD	
CCc1nc(CSc2ncc(C(=O)OC)s2)cs1	295153377	FQOVWOMLIPAHDH-UHFFFAOYSA-N	300.430	3.241	10	20	DGCD	
CCN(C[C@H](O)c1ccc(F)cc1)c1ccc(OC)c(OC)c1	299274354	LHEQAOUXBRPTLS-INIZCTEOSA-N	319.376	3.403	10	20	DGCD	
Oc1cc(/C=C/c2ccc(N3CCOCC3)cc2)nc(C2CC2)n1	806563861	BLAKWVQROICZKR-LZCJLJQNSA-N	323.396	3.067	10	20	DGCD	
CC(C)Oc1ccc(CNC(=O)NCc2ccccc2O)cc1	299495968	KSRVATUARMFFOZ-UHFFFAOYSA-N	314.385	3.179	10	20	DGCD	
COC(=O)c1cnc(Sc2cc(C)nc(C3CC3)n2)s1	295041272	WSQIXBGPKBHHGC-UHFFFAOYSA-N	307.400	3.057	10	20	DGCD	
CSC[C@H](C)NCc1cc(Br)cc(F)c1O	715747598	XEVODYDQVJQBBC-ZETCQYMHSA-N	308.216	3.135	10	20	DGCD	
Cc1cc(C(=O)N2CC(C(F)(F)F)C2)c(C)n1-c1ccccn1	807918180	XEOBUFHOWDSQCZ-UHFFFAOYSA-N	323.318	3.123	10	20	DGCD	
CC(C)C[C@@H](CNCc1cc(Cl)cc(F)c1O)C(=O)O	818630488	MOBBPHRUICQPRU-JTQLQIEISA-N	303.761	3.021	10	20	DGCD	
Cc1cccc(NC(=S)NCc2ncccc2N(C)C)c1C	811709688	GWEYZBWWDQEQOP-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3CC[C@H]3C3CC3)C2)cc1	818341825	HINNPCYXYFTJHB-MDASCCDHSA-N	300.446	3.300	10	20	DGCD	
CC(C)n1cc(C(C)(C)NCc2cccc(Cl)c2O)nn1	817420288	QEIIJHHUVQUXOI-UHFFFAOYSA-N	308.813	3.243	10	20	DGCD	
C[C@@H](CNc1ccc(Nc2ccccc2)cc1)S(C)(=O)=O	819396213	ZUSUYYZPMWJWRZ-ZDUSSCGKSA-N	304.415	3.275	10	20	DGCD	
CC[C@H]1CN(Cc2c(O)ccc3ccncc23)C[C@@H](CC)O1	817366197	PZYUDUOTMGBCHZ-GASCZTMLSA-N	300.402	3.330	10	20	DGCD	
Oc1ccccc1[C@H](CCc1ccccc1)NCCNC1CC1	817953354	LDRPMVIVCWTVBI-IBGZPJMESA-N	310.441	3.408	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1nnc(C)o1	817299346	YMTBVQSEOONYFL-CQSZACIVSA-N	301.390	3.222	10	20	DGCD	
C[C@H](COCC(=O)N[C@H](C)c1ccccc1O)c1ccccc1	827952378	QDUZRLLILNXAFK-HUUCEWRRSA-N	313.397	3.390	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCc2cn[nH]c2)c1	820024049	SMDNBFWXHGSNHZ-UHFFFAOYSA-N	322.412	3.098	10	20	DGCD	
COc1cccc2c1CCCCN2C(=O)/C=C(/C)c1cnccn1	827667453	GQZFTXNLWCEVQL-OWBHPGMISA-N	323.396	3.258	10	20	DGCD	
Cc1cc(O)c(CNC2CCN(CC3CC3)CC2)cc1Cl	825125111	HATSAOHEKYHFQZ-UHFFFAOYSA-N	308.853	3.318	10	20	DGCD	
Oc1ccccc1CNc1nc(-c2ccccn2)nc2c1CCC2	735074629	SMJLJADULZUCEJ-UHFFFAOYSA-N	318.380	3.345	10	20	DGCD	
COCc1csc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1	830540234	HNJNRGYGRXFRQV-SNVBAGLBSA-N	321.398	3.100	10	20	DGCD	
CCN1CCC[C@@H](N[C@H](C)c2cc(Cl)cc(C)c2O)C1=O	903389779	XFUPDQGOGNNIQX-BXUZGUMPSA-N	310.825	3.016	10	20	DGCD	
C[C@@H](C(=O)O)N1CCCc2cc(OCc3ccccc3)ccc21	736227155	NWHKQKXUAYDBLV-AWEZNQCLSA-N	311.381	3.491	10	20	DGCD	
CC(=O)c1ccc(NC(=S)NCc2ccccc2O)cc1	748159164	SZEUWRFHGTZWGB-UHFFFAOYSA-N	300.383	3.081	10	20	DGCD	
COc1cccc([C@@H](C)NCc2nc3ccc(C)cc3[nH]2)c1O	846149413	ZABPAJKOMKUCNV-GFCCVEGCSA-N	311.385	3.436	10	20	DGCD	
Cc1ccc(CNC(=N)NCc2ccc(N3CCCC3)cc2)cc1	849071541	FZVPJEJUYZYQRX-UHFFFAOYSA-N	322.456	3.409	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)CC[C@@H]1N	843051987	JMPDZTXWUCKZSP-RDJZCZTQSA-N	307.457	3.231	10	20	DGCD	
CC[C@@H](C)NC(=N)NCc1ccc(N2CCC(C)CC2)cc1	849006497	LNYJFRCMVUWGCG-OAHLLOKOSA-N	302.466	3.335	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)[C@H]1CN	843052243	QOWSZDOVTZQUCQ-LPHOPBHVSA-N	301.478	3.236	10	20	DGCD	
COc1ccc(N(CC(=O)Nc2cc(C)no2)CC(C)C)cc1	746169888	DLPWXBBFZZCTQV-UHFFFAOYSA-N	317.389	3.093	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@@H](C)C1CC1	840488103	JIOFOASOPVYSFG-GJZGRUSLSA-N	317.477	3.432	10	20	DGCD	
Cc1ccc(CNCCc2ccc(N)cc2)c(-c2cnn(C)c2)c1	841038948	VPLPVTVOFDWUPW-UHFFFAOYSA-N	320.440	3.310	10	20	DGCD	
C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cc1ccc(N)cc1	843495271	QDJCZNJKMWVYIN-QWHCGFSZSA-N	312.388	3.485	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)c1ccccc1F	743475761	YAAZCMHJBRCMHY-KRWDZBQOSA-N	317.360	3.147	10	20	DGCD	
C[C@@H](NCCc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1O	756576765	OIQAPGODJLCFJT-SNVBAGLBSA-N	322.311	3.472	10	20	DGCD	
CO[C@](C)(C1CC1)[C@@H](C)NCc1cc(F)c(N(C)C)cc1F	858177294	OBSQOWVHXHHDSW-DIFFPNOSSA-N	312.404	3.324	10	20	DGCD	
Cc1nc(C)c(CNCc2cc(F)c(N(C)C)cc2F)s1	858145988	MBSBZERRSOJZTR-UHFFFAOYSA-N	311.401	3.394	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc(N(C)C)cc1	764769803	LLBYIPYMNUJLPR-KZULUSFZSA-N	320.383	3.415	10	20	DGCD	
CCOC(=O)/C(=C\c1cnc(C2CCC2)s1)c1nccn1C	760265512	PCNAYCGMXMFPMV-LCYFTJDESA-N	317.414	3.248	10	20	DGCD	
CN(C)c1ccc(CNc2ccccc2C[S@](C)=O)cc1	762557236	WPJSPMZHGUXCJD-NRFANRHFSA-N	302.443	3.243	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc2ccsc12	768286468	KSPRSCBPXHLAQN-UHFFFAOYSA-N	313.378	3.285	10	20	DGCD	
CN(C)c1ccc(CNCCSCC(F)(F)F)cc1F	769691812	VUVKYRSINNRBPI-UHFFFAOYSA-N	310.360	3.277	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]2CN2CCCCC2)cc1F	768936553	FNMOGLIDAMUOBN-KRWDZBQOSA-N	319.468	3.342	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1C	766775597	GJPZEHSDEMGVJV-LSDHHAIUSA-N	315.461	3.257	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CNc1cccc(Cl)c1	769282840	QEYFSGWHJKQYOM-UHFFFAOYSA-N	304.777	3.116	10	20	DGCD	
COCCCC(=O)NCc1cc(C)n(-c2ccccc2)c1C	863166012	ISQBXSGNYUOXTR-UHFFFAOYSA-N	300.402	3.137	10	20	DGCD	
Cc1ccc(CNCc2cccc(N3CCCC3=O)c2)c(O)c1	876929453	XPBCPNMTFJJCHP-UHFFFAOYSA-N	310.397	3.117	10	20	DGCD	
Cc1cccc(O)c1CNCCCc1nc2ccccc2n1C	877155504	UIJAYAGROILDDT-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
CCOC(C)(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	875117317	FSSPYEZLNHMZPP-UHFFFAOYSA-N	304.434	3.059	10	20	DGCD	
COC(=O)c1csc(CN(C)c2ccc(OC)c(OC)c2)c1	877343269	XEDXBQMITGDSAB-UHFFFAOYSA-N	321.398	3.188	10	20	DGCD	
C[C@@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCc2ccccc21	779509728	HKSFKUSFBHLNHZ-YBNHLDJLSA-N	323.392	3.479	10	20	DGCD	
Cc1ncc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)s1	876014570	KZIKQUHTTCHTHC-SNVBAGLBSA-N	305.403	3.060	10	20	DGCD	
Nc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1	1120268422	DTWDCULZNIZZBW-SFHVURJKSA-N	312.413	3.156	10	20	DGCD	
Cc1nc(-c2cn(Cc3ccc(N(C)C)c(C)c3)nn2)cs1	881378094	FESRFRAMASYNKV-UHFFFAOYSA-N	313.430	3.133	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc(C)c(N3CCNC3=O)c2)c1	785552701	KPANQRCAWODONB-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
COc1ccc(/C=C2\SC(=S)N(C3CC3)C2=O)c(C)c1	899260438	GZWKWOQHSXBZAM-JYRVWZFOSA-N	305.424	3.367	10	20	DGCD	
Cn1nc(CNCc2cc(Cl)cc(F)c2O)cc1C1CC1	897231415	DSDKONHYRBXWES-UHFFFAOYSA-N	309.772	3.085	10	20	DGCD	
COC1(CN(C)c2ccc(OCCN(C)C)cc2)CCCC1	792175273	QTXDZDOMGZETPH-UHFFFAOYSA-N	306.450	3.022	10	20	DGCD	
CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(N(C)C)cc1	796111500	GGEHTHQEMCRHGG-UHFFFAOYSA-N	313.401	3.335	10	20	DGCD	
OC[C@H](CNCc1c(O)ccc(Cl)c1F)CC1CCCC1	798503693	LMOMZLIRVOOKEV-LBPRGKRZSA-N	315.816	3.463	10	20	DGCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)cc1Cl	793680251	HTSUWVKRXIFKTK-UHFFFAOYSA-N	319.788	3.341	10	20	DGCD	
C[C@@H]1C[C@H](CNCc2ccc(Br)cc2O)CCO1	691488042	KJBCAAHHWIRDAZ-GHMZBOCLSA-N	314.223	3.059	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=S)NCC1CCC1	1251530609	GMHQCBMCAKVGHF-UHFFFAOYSA-N	305.491	3.249	10	20	DGCD	
CC1CCN(c2ccc(CNCC3CCN(C)CC3)cc2)CC1	1355253804	WJIKCAGMXRFGRQ-UHFFFAOYSA-N	315.505	3.354	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@](C)(C(=O)O)C2)cc1F	1776861207	ODEPUGORRPODHH-KDOFPFPSSA-N	322.424	3.405	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCO[C@@]3(CCSC3)C2)cc1F	151454868	XJDOHDAFZHKLAV-YOEHRIQHSA-N	324.465	3.036	10	20	DGCD	
Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1Cl	156612580	APYROSYBOXZUTJ-UHFFFAOYSA-N	305.761	3.032	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CSC2CCCCC2)cc1	8154720	FJMWPJUXHIZNLT-UHFFFAOYSA-N	306.475	3.435	10	20	DGCD	
Cc1c([C@H](C)NCc2cccc(Br)c2O)cnn1C	48797123	VSAHEXJHMWFXNN-VIFPVBQESA-N	324.222	3.047	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1O	73439966	IPEAMEICJYAWLN-YRGRVCCFSA-N	306.406	3.025	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(N(C)C)cc1	90846199	QVCQOQWOIZCCCP-CQSZACIVSA-N	314.477	3.462	10	20	DGCD	
CC[C@H](O)CCN[C@H](CC)c1cc(Br)ccc1O	119247049	AMYGWNCQHJWMFY-WCQYABFASA-N	316.239	3.356	10	20	DGCD	
Cc1ccc(Br)cc1C(=O)NCc1ccccc1O	135358877	OIJYREJWTIDIBP-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
CCc1ncsc1C(=O)NCc1c(O)ccc2c1CCCC2	162857996	ZLBVCYSBLACSFP-UHFFFAOYSA-N	316.426	3.220	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1c[nH]nc1-c1ccccc1	181232565	LDFSYBYOVWRGMJ-VQHVLOKHSA-N	321.336	3.140	10	20	DGCD	
C[C@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O	183631407	LKKIGOQOWIENGB-DOTOQJQBSA-N	324.424	3.092	10	20	DGCD	
Cc1ccc([N+](=O)[O-])c(N[C@H](C)Cc2ccc(O)c(O)c2)c1	184146662	SLEMKUJGESWQSS-LLVKDONJSA-N	302.330	3.358	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc(F)ccc1O	186326777	YXKNVSCPNQTNGN-SNVBAGLBSA-N	316.332	3.060	10	20	DGCD	
CC(C)(C)C[C@H](NC(=O)c1cccc(O)c1O)C(F)(F)F	187220539	XEZZZEOJSURUHL-JTQLQIEISA-N	305.296	3.195	10	20	DGCD	
O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3)o2)s1	195506255	HTVQOBHKARTUEY-UHFFFAOYSA-N	306.328	3.253	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccc2c(c1)CC(=O)N2C	264521902	ADPHQEGOTGKNBN-AWEZNQCLSA-N	323.440	3.122	10	20	DGCD	
C(=C/c1nc(CC2CC2)no1)\c1ccc(N2CCOCC2)cc1	266614183	RSLPKKADJFEYGB-VMPITWQZSA-N	311.385	3.029	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCSC1)c1ccc(N2CCCCC2)cc1	268974883	NISCIBOVVUIAFP-YJBOKZPZSA-N	320.502	3.196	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1	270090841	KRGGLWZNOGDDFQ-LRTDBIEQSA-N	303.427	3.289	10	20	DGCD	
CCCc1nc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)co1	273543691	UDMWAKICJIDUKV-UHFFFAOYSA-N	315.417	3.355	10	20	DGCD	
C[C@H](NCc1ncnn1-c1ccccc1)c1ccc(N(C)C)cc1	279497731	MGGGYPDSSMWGEQ-HNNXBMFYSA-N	321.428	3.184	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCC[C@@H]1O	280734578	IVJDLGHLISTGHN-ZBFHGGJFSA-N	305.418	3.072	10	20	DGCD	
CCn1ccnc1[C@@H]1CCCCN1Cc1cc(OC)ccc1O	281188441	RYPFJMXFJBYULA-INIZCTEOSA-N	315.417	3.344	10	20	DGCD	
CCOc1cccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O	290997443	APVCVKMNYHFJHF-NVXWUHKLSA-N	305.418	3.180	10	20	DGCD	
Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N)cc2)c1	297296790	VHUJZZMYXCHHTO-UHFFFAOYSA-N	312.413	3.396	10	20	DGCD	
Cc1cnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)s1	302896274	QYMNQBHZXHARQN-CYBMUJFWSA-N	303.431	3.461	10	20	DGCD	
CN(C)c1ccc(CN2CCOC[C@H]2c2ccco2)cc1F	369773070	OWFSSUXCWHTDMP-INIZCTEOSA-N	304.365	3.058	10	20	DGCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCCc2cccc(O)c21	588401507	DRIFEBRDFMNJHK-CLFYSBASSA-N	314.772	3.433	10	20	DGCD	
CC(C)(C)C[C@H](CO)NCc1c(O)cccc1Br	706808658	WUBGKQAXSNFBIM-SNVBAGLBSA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(F)c(C(=O)NCc2ccc3c(c2)CCCN3C)c1	727091524	LAVJKBQZXYXCBY-UHFFFAOYSA-N	312.388	3.447	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1	729322417	ZZLHPACIXMIZIS-GOSISDBHSA-N	317.477	3.023	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCOCCC(C)C	731283572	CZAWKVQMSDUVKY-UHFFFAOYSA-N	322.449	3.377	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1Cc2ccccc21	740742504	NSUMMQLRBALSJY-IBGZPJMESA-N	308.425	3.441	10	20	DGCD	
C[C@H](NCCC(=O)Nc1ccccn1)c1cc(Cl)ccc1O	756480589	SKWMXXHAWUTVRS-NSHDSACASA-N	319.792	3.120	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](CO)Cc2ccco2)c(O)c1C	756660720	ORAUSAWRCQRFOA-GJZGRUSLSA-N	303.402	3.104	10	20	DGCD	
C[C@@H](CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O)N1CCCCC1	757659430	XUINIBASHUJOIU-UONOGXRCSA-N	321.421	3.216	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@H](C)S[C@H](C)C2)c1O	761195875	QIKCJRNHEDFSJU-AOOOYVTPSA-N	301.839	3.380	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](CCO)c2ccco2)c2c(O)ccc(F)c21	769412770	ISTBOFFZSXGPHL-RTXFEEFZSA-N	305.349	3.386	10	20	DGCD	
CCCOC(=O)[C@@H](C)N(Cc1ccc(N(C)C)cc1)C1CC1	771791310	MQVGGEODSRIYEG-CQSZACIVSA-N	304.434	3.059	10	20	DGCD	
C[C@@H](Nc1nccc(N2CCCC2)n1)c1ccc(N(C)C)cc1	772299676	FMDMRLQGPYXFGG-CQSZACIVSA-N	311.433	3.316	10	20	DGCD	
CCCCn1cc(CNCc2ccc(N(C)C)c(F)c2)c(C)n1	773408180	FNLKVUBTPKBJGH-UHFFFAOYSA-N	318.440	3.487	10	20	DGCD	
CCC(C)(C)NC(=S)NCc1c(O)ccc2c1CCCC2	774181550	FXUMCQQFKTYWGZ-UHFFFAOYSA-N	306.475	3.424	10	20	DGCD	
CC[C@@H](N[C@@H](CO)c1ccccc1OC)c1ccccc1O	775523093	GFSWFPHYXZYEDK-CVEARBPZSA-N	301.386	3.175	10	20	DGCD	
C[C@@H](NCC(=O)NCC1CCCCC1)c1ccc(N(C)C)cc1	775830136	DDMQDOOGKTUMIQ-OAHLLOKOSA-N	317.477	3.100	10	20	DGCD	
Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	780919482	JJAZKCWNGHKRPV-AWEZNQCLSA-N	311.381	3.344	10	20	DGCD	
Cc1ccc(CN(CCO)Cc2cc(Cl)cc(F)c2O)cc1	783602130	AIAQQRHJGGFULV-UHFFFAOYSA-N	323.795	3.488	10	20	DGCD	
CC(C)(O)CCC(=O)N(Cc1ccco1)Cc1ccccc1O	787423547	DLSNGAQIJBUYGU-UHFFFAOYSA-N	317.385	3.065	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@H](C(C)C)N2CCOCC2)c(O)c1	788509759	ZRPNMYALFTVWBU-IRXDYDNUSA-N	320.477	3.016	10	20	DGCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)[C@]1(C)CCCO1	788541039	BDLOFLCMZZAGSM-YJBOKZPZSA-N	320.502	3.287	10	20	DGCD	
C[C@H](NC[C@@H]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1O	788774372	CREUKYHKKZBQJP-HBNTYKKESA-N	303.324	3.223	10	20	DGCD	
CC(C)n1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	797680460	IVGJZFJXRCDDOD-CYBMUJFWSA-N	315.421	3.413	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCOCC23CC3)c1C	802291578	JZCZGTRPINRNBN-UHFFFAOYSA-N	324.424	3.408	10	20	DGCD	
OC[C@@H]1c2ccccc2CCN1Cc1cc(Cl)c(F)cc1O	816513643	XHPQMDZGSGBFAI-MRXNPFEDSA-N	321.779	3.276	10	20	DGCD	
COCCO[C@@H]1CCCN(Cc2ccc3ccccc3c2O)C1	816600414	WEOWPGKJAXRDNU-QGZVFWFLSA-N	315.413	3.173	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCc2cccnc21	816914062	CCVGDLGDEZCCDC-INIZCTEOSA-N	310.397	3.256	10	20	DGCD	
CCCc1[nH]ccc1C(=O)NCCCSc1nccs1	817533245	NRVYWIZGNRDUJR-UHFFFAOYSA-N	309.460	3.336	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCc3ccoc3C)C2)cc1	818221046	KTQSUVGTVMOZOD-HNNXBMFYSA-N	300.402	3.213	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC[C@H](O)c1ccccc1	819373085	AZELOEUXZWBFLE-UZLBHIALSA-N	312.457	3.315	10	20	DGCD	
CC[C@H](C)CCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819588964	BCORUKUJEUXEAT-HOTGVXAUSA-N	318.461	3.464	10	20	DGCD	
CN(C)CCN(CC1CCCCC1)C(=O)c1cc(O)cs1	823248596	OWJMHIGVQSHDEL-UHFFFAOYSA-N	310.463	3.038	10	20	DGCD	
COC[C@H](NCc1cccc(C)c1O)c1cccc(OC)c1	827011675	LIIIJNINRBXCGT-KRWDZBQOSA-N	301.386	3.187	10	20	DGCD	
COc1cccc(CCC(=O)N[C@H](C)c2ccccc2O)c1F	827946410	HBMGCHQJBFURLU-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
CN(CCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl	835077253	MWOHUGRTLDHETQ-UHFFFAOYSA-N	314.813	3.002	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1Cc2ccccc21	839918444	MDAGRGXZDKWSQB-FOIQADDNSA-N	322.452	3.448	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC1(C)C	840480755	YAMKRSZCICHACC-CQSZACIVSA-N	303.450	3.186	10	20	DGCD	
C[C@]1(CNCc2cc(Cl)cc(Cl)c2O)CCCNC1	841057058	LMESZRQPRFFPKD-AWEZNQCLSA-N	303.233	3.178	10	20	DGCD	
C[C@@H](NC(=O)C1SCCCS1)c1ccc(N(C)C)cc1	841187535	XOWVLYDBHUCZRR-LLVKDONJSA-N	310.488	3.126	10	20	DGCD	
CC(C)CCN1CCC(CNC(=O)Nc2ccc(N)cc2)CC1	841298514	AQTVSFMYDMLBEQ-UHFFFAOYSA-N	318.465	3.148	10	20	DGCD	
CCC[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1	841788083	RHAJDQMFVVBAQF-DOTOQJQBSA-N	303.450	3.469	10	20	DGCD	
COc1cccc([C@@H](C)NC2CCN(C(C)(C)C)CC2)c1O	846147249	UAJYCEMGZUYFIE-CYBMUJFWSA-N	306.450	3.314	10	20	DGCD	
CCc1cccc(CN[C@H](C)CCNC(=O)OC(C)(C)C)c1O	848909615	XXBYVRDEEGXINB-CYBMUJFWSA-N	322.449	3.348	10	20	DGCD	
CCC[C@@](C)(CO)NCc1cc(OC)cc(C(C)(C)C)c1O	850139423	OPWIUDFUOATDQU-SFHVURJKSA-N	309.450	3.339	10	20	DGCD	
CN(C)c1cc(F)c(CNCCc2ccccc2O)cc1F	858121042	SLIJKBCAXHUWRL-UHFFFAOYSA-N	306.356	3.069	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@H](CCO)CC2)cc1F	862397654	VIOJSTLFDHMAAL-ZDUSSCGKSA-N	312.404	3.015	10	20	DGCD	
Cc1nocc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	864950593	XKGBUIMQBKLHBG-UHFFFAOYSA-N	301.390	3.100	10	20	DGCD	
C[C@@H]1CC[C@@H](C(=O)O)C[C@H]1NCc1c(O)ccc(Cl)c1F	871880771	YAMVKKWRKBSFIC-KBVBSXBZSA-N	315.772	3.164	10	20	DGCD	
Cc1cccc(O)c1CN(C)Cc1ccc(C(=O)NC2CC2)cc1	876590749	BHASQHDYPRSINU-UHFFFAOYSA-N	324.424	3.225	10	20	DGCD	
COc1cncc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	880551535	GTKLRJHNIUMGAG-GFCCVEGCSA-N	314.389	3.039	10	20	DGCD	
CCOc1ccc(NCc2cc(F)cc(F)c2O)cc1CO	883056854	XWDBNEYDRVWCMP-UHFFFAOYSA-N	309.312	3.174	10	20	DGCD	
COc1cc(C)cc(CNC(C)(C)c2ncc(C)s2)c1O	894323149	ILECOIYXCOKCMU-UHFFFAOYSA-N	306.431	3.499	10	20	DGCD	
CCOc1cccc(CNCc2nc3c(s2)CCCC3)c1O	922700619	ORCYZUUIOFJDTP-UHFFFAOYSA-N	318.442	3.416	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCCN1CC(F)(F)F)c1ccccc1O	926923791	YUQHUTXIHLUGKP-GXTWGEPZSA-N	316.367	3.460	10	20	DGCD	
Cc1conc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1319316357	IVCIJVQUIYICFN-UHFFFAOYSA-N	314.389	3.246	10	20	DGCD	
CC(C)[C@H](O)C1(CNCc2ccc(N3CCCC3)cc2)CC1	1319953850	LORXIRIHTSIOPZ-SFHVURJKSA-N	302.462	3.174	10	20	DGCD	
COc1ccc2c(c1)CCCN2C[C@H](C)NC(=O)OC(C)(C)C	1321690089	ULDKCRXCVFJXMO-ZDUSSCGKSA-N	320.433	3.361	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(C2CCCCC2)CC1	1335372632	DPHMAQQXHZHMOD-CLFYSBASSA-N	301.386	3.340	10	20	DGCD	
C[C@@H]1[C@@H](CC(=O)O)CC[C@H]1NCCCSc1nccs1	1594182710	FYKXJXHNXIJDMD-IJLUTSLNSA-N	314.476	3.104	10	20	DGCD	
C[C@@H](C(=O)O)[C@@H](NCc1cc(F)cc(F)c1O)c1ccccc1	1776223461	VQDGKVXRANHZSL-MEBBXXQBSA-N	321.323	3.222	10	20	DGCD	
Cc1cc(C)nc(NNC(=S)Nc2ccc(C)c(C)c2)n1	6330793	XABDDACHQXSTRQ-UHFFFAOYSA-N	301.419	3.024	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N(C)c1ccccc1	27578374	RUMSCQWSKAGEAW-UHFFFAOYSA-N	310.397	3.111	10	20	DGCD	
C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1	46984119	IIKAUHOAHCYFKE-OAHLLOKOSA-N	301.434	3.371	10	20	DGCD	
COc1cc(NCc2ccc(N(C)C)cc2)cc(OC)c1OC	74314430	NSZHLSNAGFRRDO-UHFFFAOYSA-N	316.401	3.391	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc(CN3CCOCC3)cc2)c1	103855130	JBKDGGPUWYHLCU-UHFFFAOYSA-N	312.413	3.145	10	20	DGCD	
COc1cccc(CNCc2c(O)cccc2Cl)c1OC	113324709	QTXSEKXNJFDKRQ-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2ccc3ccccc3c2)c1	114543822	LQXOVPKEVXCCCW-UHFFFAOYSA-N	321.376	3.413	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C)cc(C)c2)c1	114565345	DKICPRDQZUNOSI-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Br)ccc2O)CC(C)(C)O1	133112943	IXIKTUDKRFRJLJ-SNVBAGLBSA-N	314.223	3.154	10	20	DGCD	
COc1ccc2oc(/C=C3/SC(=S)N(C)C3=O)cc2c1	160305568	LOINEYSXJFVBDH-KPKJPENVSA-N	305.380	3.272	10	20	DGCD	
Cc1cc(C(=O)N2CCSC[C@@H]2C)c(C)n1-c1ccccn1	172455757	IYFPKSCKWFPRRZ-ZDUSSCGKSA-N	315.442	3.067	10	20	DGCD	
C[C@@H]1CC[C@@H](CCC(=O)NCCCSc2nccs2)O1	173561516	JGCKMVVMSXJLHM-NEPJUHHUSA-N	314.476	3.089	10	20	DGCD	
COCCOCCN(Cc1ccccc1)c1ccc(OC)cc1	175575013	TXDKROQZLPCMJR-UHFFFAOYSA-N	315.413	3.365	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(C(C)C)CC2)c1	176032234	JFJGNSYMLSQLMB-GFCCVEGCSA-N	306.406	3.197	10	20	DGCD	
C[C@@H](NCc1cccc(C(N)=O)c1)c1cc2c(cc1O)CCCC2	184926958	BJMXNCPDEXLUIF-CYBMUJFWSA-N	324.424	3.221	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCCO[C@H]2CC(C)C)c1O	185199607	JLHHUBXJCMIHFB-WBVHZDCISA-N	307.434	3.474	10	20	DGCD	
Cc1cc(C(=O)OCCOC(C)(C)C)c(C)n1-c1ccccn1	195682248	HHXQCEUQUNTAFK-UHFFFAOYSA-N	316.401	3.461	10	20	DGCD	
CCCN(C(=O)Cc1ccc(N)cc1)[C@@H]1C[C@H](OCC)C1(C)C	236743072	DFRKJOPWXFIGKJ-SJORKVTESA-N	318.461	3.254	10	20	DGCD	
C[C@H](NCCOc1ncccc1F)c1cc(Cl)ccc1O	273530865	WGYXNUYESWVHLV-JTQLQIEISA-N	310.756	3.309	10	20	DGCD	
C[C@H](N[C@H](C)c1ncnn1C)c1ccc(N2CCCCC2)cc1	276539331	DIOSSHGKDBYAFR-LSDHHAIUSA-N	313.449	3.217	10	20	DGCD	
CC[C@H](NCC1CCN(C(C)=O)CC1)c1cccc(Cl)c1O	287568794	GPHXIGGTZXJVOZ-INIZCTEOSA-N	324.852	3.345	10	20	DGCD	
Cc1cc(C(=O)N2CCCOC2)c(C)n1-c1ccc(F)cc1	288530643	WTXQBOXFJMDATL-UHFFFAOYSA-N	302.349	3.053	10	20	DGCD	
CO[C@@H](C)c1nc(CN[C@H]2CCc3cccc(O)c32)cs1	297946430	YJSFVOGHRQBIBQ-GWCFXTLKSA-N	304.415	3.333	10	20	DGCD	
CN(C[C@H]1CC=CCC1)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	402747180	ULJZJWSUQUKIOK-PLWJUESGSA-N	316.357	3.485	10	20	DGCD	
C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1cccs1	588406657	WUFUYOHHJLUMAK-HWPRWLFBSA-N	317.410	3.168	10	20	DGCD	
C[C@H]1CN(Cc2ccc(Br)cc2O)CC(C)(C)O1	691675489	IYHWHQGKQIVYTR-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
CNC(=O)c1cccc(CN2CCCc3cc(OC)ccc32)c1	733793707	SAYBSZYAPIQIOR-UHFFFAOYSA-N	310.397	3.008	10	20	DGCD	
CSCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	745795079	BVRBFVWFTSDWJW-UHFFFAOYSA-N	309.479	3.036	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](C)c2c(C)noc2C)c1O	754158026	MXVSXFSMNQLFMX-MRVPVSSYSA-N	306.337	3.190	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2O)cc1	756366691	HWUKFLPFFNYOAO-JTQLQIEISA-N	320.339	3.480	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(C)s2)c1	756417139	JYXMANXICFRKNY-NSHDSACASA-N	305.399	3.400	10	20	DGCD	
CC1CCN([C@@H](C)CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756504690	PWANDDHGOPHPRT-UONOGXRCSA-N	321.421	3.071	10	20	DGCD	
CC[C@H]1CCCCN1CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756575327	PDTRORZJYHPYGG-KGLIPLIRSA-N	321.421	3.216	10	20	DGCD	
Nc1nc(NCc2ccc(N3CCCC3)cc2)nc2ccccc12	764115410	RJQDBMUCYGFMAI-UHFFFAOYSA-N	319.412	3.424	10	20	DGCD	
C[C@H](NC(=O)CSC(F)(F)F)c1ccc(N(C)C)cc1	773021829	TUHBDYMKHQYGGP-VIFPVBQESA-N	306.353	3.183	10	20	DGCD	
Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)o1	773084286	NUCMQBFJMVVFBS-GFCCVEGCSA-N	322.430	3.002	10	20	DGCD	
C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1O	775136632	MJSKRSOGEJGZQB-OAHLLOKOSA-N	324.424	3.479	10	20	DGCD	
CCOCc1cc(CN[C@H](C)[C@@H]2CCCOC2)ccc1OC	779989113	UQCQPEDCONFWBE-GDBMZVCRSA-N	307.434	3.136	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C(C)C)[C@@H](O)c2ccccc2)c1	789778164	FUDXGDUDNBIKBY-OALUTQOASA-N	315.413	3.249	10	20	DGCD	
CCNc1ccc(Cl)cc1C(=O)NCc1ccccc1O	792296254	YWVKEFJZJBIEJK-UHFFFAOYSA-N	304.777	3.407	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(C)cc2Cl)c(O)c1	794380986	IZIZLVWTXAAWFJ-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
COc1ccc(CNC(=O)/C=C\c2ccc3[nH]ccc3c2)c(O)c1	794381667	QTYOQYLAYVIUNG-CLTKARDFSA-N	322.364	3.212	10	20	DGCD	
COc1ccc(CNC(=S)N[C@@H](C)c2ccccc2)c(O)c1	795032253	RZZGHUOPBRBBKL-LBPRGKRZSA-N	316.426	3.126	10	20	DGCD	
C[C@H](NCCCNC(=O)/C=C\c1ccccc1)c1ccccc1O	800503879	ALHLIFQXVHHERF-AHKFDXCISA-N	324.424	3.263	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@H](O)c2cc(C)cc(C)c2)c1	800897354	XFHLDTHDIVHNDA-IBGZPJMESA-N	315.413	3.231	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccncc1F	807837204	GQHAHBDUSQMTFB-UHFFFAOYSA-N	315.131	3.163	10	20	DGCD	
CN(C)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1	810000907	QQGZPNRUYMGHRT-UHFFFAOYSA-N	306.312	3.048	10	20	DGCD	
CN(C)c1ccc(OCCOCC(F)(F)C(F)(F)F)cc1	810001159	YVYPECTUVMTSRH-UHFFFAOYSA-N	313.266	3.346	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1noc(C)n1	817299088	UYLGLSKYSZDBRH-CQSZACIVSA-N	301.390	3.222	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@]1(C)CC1(F)F	817458244	WKFSYWFGZNUQBP-WBMJQRKESA-N	310.388	3.154	10	20	DGCD	
C[C@@H](NC[C@H]1CCCCN1)c1cc(Cl)c(Cl)cc1O	817950304	SJVPYWCPUKNSDU-NXEZZACHSA-N	303.233	3.492	10	20	DGCD	
C[C@H](N[C@H](C)CCCCN)c1cc(Br)ccc1O	817976543	NERKVNTXSSFJTQ-MNOVXSKESA-N	315.255	3.323	10	20	DGCD	
OC[C@H](C1CC1)[C@H](NCc1ccc2ccccc2c1O)C1CC1	824846331	QRPBZQOCSSJMJN-RTBURBONSA-N	311.425	3.432	10	20	DGCD	
CCN(CC)C(=O)CCCNCc1cc(Cl)c(C)cc1O	825113480	DVWZFWSLUSDXBX-UHFFFAOYSA-N	312.841	3.092	10	20	DGCD	
C[C@@H](NC(=O)C[C@@H]1OCCc2ccccc21)c1ccccc1O	827937319	RQSNNWLPAZPCAO-ACJLOTCBSA-N	311.381	3.274	10	20	DGCD	
C[C@@H](NC(=O)C[C@H]1CC(=O)Nc2ccccc21)c1ccccc1O	828535108	OQYLIPIJXGPYDO-OLZOCXBDSA-N	324.380	3.086	10	20	DGCD	
CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(C)C	840879827	TXAMKNFNFIROGL-RTBURBONSA-N	320.477	3.049	10	20	DGCD	
CCOc1ccc(O)c(CNc2cccc(CCC(=O)O)c2)c1	840998187	RYLGKWIOHYYITK-UHFFFAOYSA-N	315.369	3.420	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)[C@H]2CCCNC2)cc1F	841032235	AEQVSWBACUPVFD-HOCLYGCPSA-N	307.457	3.150	10	20	DGCD	
COc1cc(O)c(CN2CCCNc3ccccc32)cc1OC	841088764	AYLAYBHUCYYCIF-UHFFFAOYSA-N	314.385	3.232	10	20	DGCD	
C[C@@H](CCNC(=O)NCCc1ccc(N)cc1)c1ccccc1	841773084	VSDWUXQHXDJDSQ-HNNXBMFYSA-N	311.429	3.304	10	20	DGCD	
CC(C)[C@@H]1C[C@H](Cc2nc(Cc3ccc(N)cc3)no2)CCO1	843158654	FRECRUFKIHLCDE-ZBFHGGJFSA-N	315.417	3.236	10	20	DGCD	
CCc1cccc(CNCc2ccc(N3CCCC3)nc2)c1O	848892742	FXBQUGXXDGACCJ-UHFFFAOYSA-N	311.429	3.240	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C=CCC1	852385427	PQQSQAUBWUQWLN-GOEBONIOSA-N	301.434	3.010	10	20	DGCD	
COc1cc(N(C)Cc2cnc(C3CC3)o2)cc(OC)c1OC	862307254	VIGIMGMVCVKZSO-UHFFFAOYSA-N	318.373	3.214	10	20	DGCD	
CN(CCc1ccccn1)Cc1cc(F)c(N(C)C)cc1F	862322510	MNRHOGXTYHVKTA-UHFFFAOYSA-N	305.372	3.100	10	20	DGCD	
COc1cc(N2CC(c3ccccc3)C2)c([N+](=O)[O-])cc1OC	866001178	XRFREBBHMGZMMW-UHFFFAOYSA-N	314.341	3.216	10	20	DGCD	
Cc1ccc(CNc2ccc(OCCN(C)C)c(F)c2)c(O)c1	877585208	CROGYQLBMGNZQX-UHFFFAOYSA-N	318.392	3.392	10	20	DGCD	
CC[C@H](C)[C@H](CNC[C@H]1CCN(c2ccc(OC)cc2)C1)OC	877598193	KMCQUPYDTRLTEO-FCEWJHQRSA-N	320.477	3.172	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2cccc3c2N(C)C(=O)CO3)c(O)c1	883397049	CNAGTZPEJFEVBZ-GFCCVEGCSA-N	312.369	3.229	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H](O)c1cccc(F)c1)c1c(O)cccc1F	886550157	TUBJWYYJKLYKPK-WVQJBOLRSA-N	307.340	3.443	10	20	DGCD	
C[C@@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1c(O)cccc1F	886620656	PKNPLCZCSSEJRI-PBFPGSCMSA-N	316.376	3.497	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)c1nc(C(=O)O)cs1	900042633	GXRSQBOAKHBJSN-SNVBAGLBSA-N	318.398	3.017	10	20	DGCD	
C[C@H](OCC1CC1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	920772075	MSDBZGBGVKVQDH-AWEZNQCLSA-N	316.445	3.059	10	20	DGCD	
CCC(CC)C(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1	967269848	QEIQZESYBZMJAO-QGZVFWFLSA-N	318.461	3.130	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2ccns2)cc1	1338594342	DETKMTJHEWAQFE-UHFFFAOYSA-N	303.431	3.262	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CNc3ccccc32)cc1	1577697506	LWRVUKZATLTKFB-SFHVURJKSA-N	323.440	3.358	10	20	DGCD	
CN(CCc1c(F)cccc1F)c1ccc(OCC(=O)O)cc1	1598500751	WJZKEIMPTOEIRH-UHFFFAOYSA-N	321.323	3.107	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCc2cccs2)cc1F	58731043	ROHHZMXWTUPCNM-UHFFFAOYSA-N	306.406	3.202	10	20	DGCD	
CCOc1cccc(CNC[C@@H](O)c2ccc(Cl)cc2)c1O	60358324	MAFSQGCTRBRJPD-OAHLLOKOSA-N	321.804	3.268	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1cccc(O)c1	123585960	SHCFVFIDCMPYTM-FMIVXFBMSA-N	310.397	3.130	10	20	DGCD	
Oc1ccccc1CN(Cc1ccc(F)nc1)C[C@H]1CCCO1	189281895	KMYWEUQYQQVKKB-MRXNPFEDSA-N	316.376	3.108	10	20	DGCD	
C[C@@H](NCCN(C)Cc1ccc(F)cc1)c1cc(F)ccc1O	185647605	OQWPFQXGJGXHNI-CYBMUJFWSA-N	320.383	3.453	10	20	DGCD	
CN1C(=O)/C(=C\c2csc(-c3ccccn3)n2)SC1=S	47046031	AFEBGWAFGQEBAM-UXBLZVDNSA-N	319.436	3.036	10	20	DGCD	
C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1O	191193824	TXGCWQURTGLOLX-OTYXRUKQSA-N	311.303	3.194	10	20	DGCD	
O=C1[C@H](NCc2cc(Cl)ccc2O)CCN1C1CCCCC1	131594423	JNLRPIVKJNOLDU-OAHLLOKOSA-N	322.836	3.069	10	20	DGCD	
CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccccc2O)CC1	228792322	GDBQDKWCAVCTES-HNNXBMFYSA-N	320.433	3.271	10	20	DGCD	
CCCc1nc(C(=O)NCc2c(C)c3ccccc3n2C)co1	337989609	DAZSOWLSRICSTN-UHFFFAOYSA-N	311.385	3.357	10	20	DGCD	
CCOCCOCCN(C)Cc1ccc(N2CCCCC2)cc1	191570478	GUAKTXGHCZCWSO-UHFFFAOYSA-N	320.477	3.162	10	20	DGCD	
CCN(C)C[C@H]1CCN(Cc2ccc(N(CC)CC)cc2)C1	93770678	ZZBBBKFAKHSSRU-GOSISDBHSA-N	303.494	3.306	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1	96314355	PDYRGSOSJTVCHP-UHFFFAOYSA-N	306.406	3.142	10	20	DGCD	
Cc1cc(/C=C2\SC(=S)NC2=O)c(OC(F)F)cc1C	254970338	HFXBTPVKQOCYMC-YHYXMXQVSA-N	315.366	3.394	10	20	DGCD	
COc1ccc(N(Cc2cc(=O)c(OC)co2)C(C)C)cc1F	268589047	VEWBTQZEHADMJV-UHFFFAOYSA-N	321.348	3.211	10	20	DGCD	
COc1cccc(CN(C)Cc2c(C)nc3sccn23)c1O	271151476	KTZSQFNBMIPVHS-UHFFFAOYSA-N	317.414	3.050	10	20	DGCD	
C[C@@H](NCCOCC(F)(F)C(F)F)c1cc(F)ccc1O	278186038	BVQQTYFKWQWAHE-MRVPVSSYSA-N	313.266	3.099	10	20	DGCD	
Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273605208	TZXRWYLBMPIWDL-NXEZZACHSA-N	319.361	3.187	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@H]2CCCc3nn(C)cc32)c1O	282827850	BLSNGBYBJQDMJF-AWEZNQCLSA-N	305.809	3.255	10	20	DGCD	
COc1cc(Cl)cc(CNC(C)(C)CCCN(C)C)c1O	387262676	BZIUMMXUXGAEFL-UHFFFAOYSA-N	314.857	3.264	10	20	DGCD	
CS[C@H]1CCN(Cc2cc(Br)ccc2O)C1	295036205	MCJJCDWEZIRYBJ-NSHDSACASA-N	302.237	3.092	10	20	DGCD	
COc1cnc2ccccc2c1C(=O)N(C)Cc1ccccc1O	801922920	TXOIOMBFAVLPGO-UHFFFAOYSA-N	322.364	3.221	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCCC1(F)F	296021734	LDNANFMXGIHGBS-HOSRBBHYSA-N	311.328	3.053	10	20	DGCD	
COCC[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)CCCN2C	800475786	YJWIVVXPSQNMAB-WMZOPIPTSA-N	302.462	3.364	10	20	DGCD	
COC(=O)c1cnc(S[C@H](C)c2nc(C3CC3)no2)s1	295360901	RMGKDTCIWXNIRS-ZCFIWIBFSA-N	311.388	3.043	10	20	DGCD	
COc1ccc(O)c(CNc2nccc(C)c2Br)c1	811805534	WDWXCFSTDWCIQJ-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
C[C@H](CCCCN)N[C@H](C)c1cc(Br)ccc1O	817976542	NERKVNTXSSFJTQ-GHMZBOCLSA-N	315.255	3.323	10	20	DGCD	
Cc1[nH]c2ccccc2c1CCNC(=O)NCc1ccccc1O	727032202	GHCAIRCWEJBVEY-UHFFFAOYSA-N	323.396	3.224	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](c2ccccc2)c2nc[nH]n2)cc1C	825123856	DIVLIPKLQQYDGP-QGZVFWFLSA-N	322.412	3.049	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@]1(C)CO	827699458	HQHNBKZJAYBOKB-OTYXRUKQSA-N	304.217	3.149	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1Cl	826910440	HWFOUOGKQZVVOJ-MTJIALIYSA-N	315.866	3.133	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@H](C(F)(F)F)C2)cc1Cl	824850739	PNDQZOLQMMEDON-LBPRGKRZSA-N	309.715	3.117	10	20	DGCD	
Cc1cccc([C@@H](CC(=O)O)NCc2ccc(N(C)C)cc2)c1	904042934	MHCZFMLDEXUBIQ-GOSISDBHSA-N	312.413	3.367	10	20	DGCD	
CCCCO[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839920037	ZXYDQBRBUAEGDT-HOTGVXAUSA-N	320.477	3.313	10	20	DGCD	
Cc1cc(C(=O)O[C@@H]2CCOC[C@H]2C)c(C)n1-c1ccccn1	835782195	ITRFMEJFZBFISH-MLGOLLRUSA-N	314.385	3.071	10	20	DGCD	
CCCNC(=O)c1ccc(NCc2cc(Cl)ccc2O)nc1	845709208	NYFGBQFHESTZTK-UHFFFAOYSA-N	319.792	3.193	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC=C(F)C1	840481523	KCTYSIALTKYUIA-AWEZNQCLSA-N	319.424	3.261	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](Cn2ccnc2)C(C)(C)C)c1O	846144937	ODWLNABXYFYLIZ-CJNGLKHVSA-N	317.433	3.363	10	20	DGCD	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCF	742220173	JYWMHZWJUHLGLL-UHFFFAOYSA-N	308.378	3.403	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCN(C(C)(C)C)C2=O)cc1	842720269	DWOATKJVLPAHOY-QGZVFWFLSA-N	317.477	3.022	10	20	DGCD	
CCc1cccc(CN2CCCN(C3CCCC3)CC2)c1O	848886673	YZZDLENDTCYXAR-UHFFFAOYSA-N	302.462	3.405	10	20	DGCD	
C[C@@H](NCC(C)(C)c1cccnc1)c1cc([N+](=O)[O-])ccc1O	840891165	HIJSCPJELFKWNX-GFCCVEGCSA-N	315.373	3.324	10	20	DGCD	
CC[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(N)cc1	841784606	AZKFUJFBZSTEJL-GOSISDBHSA-N	311.429	3.132	10	20	DGCD	
CCc1cccc(CN[C@@]2(C)CCCC[C@H]2C(=O)OC)c1O	848891375	QDJQIBSPAQXUCW-YJBOKZPZSA-N	305.418	3.166	10	20	DGCD	
COCC1(c2noc(Cc3ccc(N)cc3)n2)CCCCC1	843233450	LBBSECRUFJESFD-UHFFFAOYSA-N	301.390	3.091	10	20	DGCD	
CO[C@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)C	744686321	AGFMHBQCOBPGCZ-GOSISDBHSA-N	314.429	3.495	10	20	DGCD	
CCC/C(C)=C/C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920882529	RRIOTQOUASBWGW-UTZKEFOASA-N	316.445	3.447	10	20	DGCD	
COc1cccc(OC)c1CN[C@@H](C)c1cc(F)ccc1O	850505071	MAGRGXSEOUYYGL-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](CO)c2ccccc2C)c1	756635835	HRVXHPBRWMEZRH-GUYCJALGSA-N	301.386	3.093	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCCc3c2cnn3C)c2c(O)ccc(F)c21	756403752	QYQKQIFGOPJZOY-HONMWMINSA-N	315.392	3.480	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CC[C@H]2CC2(Cl)Cl)c1	862753027	ACMFGUHXTSVWHY-NSHDSACASA-N	302.201	3.291	10	20	DGCD	
COc1ccc(CC(=O)Nc2c(Cl)ccc3nonc23)cc1	1116850455	ONGAAEZCVNJXHU-UHFFFAOYSA-N	317.732	3.066	10	20	DGCD	
Cc1ccc(CNCc2cccnc2OCC(F)F)c(O)c1	877122845	ASSPIHQBABBQAJ-UHFFFAOYSA-N	308.328	3.029	10	20	DGCD	
N[C@H]1C[C@H](CN[C@@H](CCc2ccccc2)c2ccccc2O)C1	873256793	OJOUVRNPXAJZSF-LNLFQRSKSA-N	310.441	3.393	10	20	DGCD	
C[C@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc(N(C)C)cc1	772998145	WOJKRWBYEVVNIU-LBPRGKRZSA-N	314.433	3.264	10	20	DGCD	
C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC(C)(C)O1	773610021	BTAFVGSSTJOWIX-ZIAGYGMSSA-N	319.449	3.023	10	20	DGCD	
CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1	774904084	BUNPRTZHYYVTBD-GFCCVEGCSA-N	308.378	3.321	10	20	DGCD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	779527187	CNHCIJSXXZVVTK-OJWNKBRNSA-N	303.402	3.442	10	20	DGCD	
C[C@H](NC[C@]1(CO)C[C@@H]1c1ccccc1)c1c(O)cccc1F	886612490	MKSYYHNFDWHMHM-OHNRDTAOSA-N	315.388	3.348	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(F)CC2)cc1	883157960	PNLLNRVPHHMKCK-UHFFFAOYSA-N	307.413	3.176	10	20	DGCD	
CCOC(=O)[C@H](CC)N(Cc1ccc(OCC)cc1O)C1CC1	787441732	YXJHDKYPNYMIEL-INIZCTEOSA-N	321.417	3.097	10	20	DGCD	
CCc1cccc(CNCCc2nc3c(s2)CCC3)c1O	896842755	VRSAVRSLQXMQJQ-UHFFFAOYSA-N	302.443	3.232	10	20	DGCD	
COc1ccc(CNCc2nc(C(C)C)cs2)c(O)c1OC	893152325	FWRXQCRFNNXIJP-UHFFFAOYSA-N	322.430	3.279	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cscc2C)c1	786925481	HYHBTHMLWDKPNZ-NSHDSACASA-N	305.399	3.400	10	20	DGCD	
C[C@@H]1CC[C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	793275095	VMNNBCCRBSQIPB-ZBFHGGJFSA-N	303.450	3.330	10	20	DGCD	
Cc1ccc(Cl)cc1CNC(=O)c1ccc(C)c(O)c1O	1336581614	CVLZYHDIZYHKSM-UHFFFAOYSA-N	305.761	3.298	10	20	DGCD	
COc1cc(C)cc(CN2CCC([C@@H]3CCCCO3)CC2)c1O	1338168681	XKUVHHIUROLMKT-KRWDZBQOSA-N	319.445	3.490	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccnc1NC	1347070527	YGEPRYVZLYKDPN-UHFFFAOYSA-N	313.401	3.271	10	20	DGCD	
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(N(C)C)c(F)c1	1261655230	PXBDGQNQOGNBPG-LQDVMPOASA-N	319.424	3.364	10	20	DGCD	
CC(C)(C)OC(=O)CCCCSc1ncc(C(=O)O)s1	1603371793	YFGSHLLNCNLKEY-UHFFFAOYSA-N	317.432	3.445	10	20	DGCD	
C[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1F	1576024954	WKEGYUFSAPFKGI-NSHDSACASA-N	319.355	3.150	10	20	DGCD	
O=C(Cc1ccc2ccccc2c1)NCc1ccc(O)c(O)c1	158936928	QLKXOPWBAHVVHI-UHFFFAOYSA-N	307.349	3.110	10	20	DGCD	
COc1cc(O)c(CN(CC(C)C)CC(F)(F)F)cc1OC	159833304	RRPUDMJWZYYZAW-UHFFFAOYSA-N	321.339	3.430	10	20	DGCD	
CN1CCC[C@H](CNCc2cc(Cl)cc(Cl)c2O)C1	44534503	CIPVCWMHIVLCSB-SNVBAGLBSA-N	303.233	3.130	10	20	DGCD	
Cc1cn2nc(NCc3c(O)ccc4c3CCCC4)sc2n1	78464034	UHTFQXZNFLKBFY-UHFFFAOYSA-N	314.414	3.296	10	20	DGCD	
CC[C@@H](NC[C@@](C)(O)CC)c1cc(Br)ccc1O	87011736	KUFFPFOGWGXKSY-OCCSQVGLSA-N	316.239	3.356	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2cccnc2)c1O	93226829	NTNJAHXWOSIJNF-LLVKDONJSA-N	302.349	3.322	10	20	DGCD	
CCC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	98074609	WCYVGXAPGBSJBI-MRXNPFEDSA-N	313.397	3.340	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1CCCCO1	110611841	FIMCUZMHKOMZFP-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(F)cc1	127479943	UUTYNWHCWGWVNZ-OAHLLOKOSA-N	317.360	3.089	10	20	DGCD	
COc1cccc2c1CCCCN2C(=O)/C=C/c1cccnc1	129105423	QLXNTVRUNSKDMF-ZHACJKMWSA-N	308.381	3.473	10	20	DGCD	
CSCCN[C@H](C)c1cc(Br)c(F)cc1O	134908014	GRYDWOVCUFXEQV-SSDOTTSWSA-N	308.216	3.307	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2cccnc2)cc1Cl	160119696	WVMKBKCBKTUSGF-VMPITWQZSA-N	302.761	3.420	10	20	DGCD	
COc1ccsc1C(=O)NCc1ccc(N2CCCC2)cc1	171708124	JHAATFAVUDIMSG-UHFFFAOYSA-N	316.426	3.287	10	20	DGCD	
COc1cc(C)cc(CN2CCC(C(F)(F)F)CC2)c1O	178895856	HWDGGHDKTQVZKN-UHFFFAOYSA-N	303.324	3.484	10	20	DGCD	
Cc1cccc(CN2CCO[C@H](c3ccc(F)cc3)C2)c1O	179718720	IWVPWXDWBPHROD-KRWDZBQOSA-N	301.361	3.413	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1	179741362	ZXEORONOVQKAMQ-CQSZACIVSA-N	320.433	3.047	10	20	DGCD	
OCC[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccco1	184501833	UKQGWAKELFSWQI-GOSISDBHSA-N	314.429	3.483	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cccc(F)c2)c(C)c(C)c1O	187062160	NTPBGQKXTFEBJN-UHFFFAOYSA-N	309.362	3.257	10	20	DGCD	
C[C@H](NCCCOC(F)F)c1ccc(Br)cc1O	194034869	HQJWDTFGDGSDQA-QMMMGPOBSA-N	324.165	3.435	10	20	DGCD	
CCOc1cccc(CNCc2csc([C@H](C)OC)n2)c1O	267617847	JYFTZXRFOYZXAR-NSHDSACASA-N	322.430	3.245	10	20	DGCD	
Oc1ccc(Br)cc1CN[C@@H]1CCCc2cn[nH]c21	268882300	YBJIGCSGICCDOX-GFCCVEGCSA-N	322.206	3.045	10	20	DGCD	
Oc1ccc(F)cc1CNC1CCC(O)(c2ccccc2)CC1	273805647	XZCCLGGWDWOPBJ-UHFFFAOYSA-N	315.388	3.451	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C2CC2)no1	282251940	GUOYODOOOSZAGT-UHFFFAOYSA-N	313.401	3.280	10	20	DGCD	
Oc1c(Br)cccc1CN[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	300631555	WUXBBKCTEDMZHP-XXINRUCKSA-N	308.219	3.289	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)CNC2	326377119	XBHXGDHVXAJRRO-UHFFFAOYSA-N	323.440	3.018	10	20	DGCD	
C[C@@H](NCc1ccccc1O)c1ccc(Br)cn1	695250270	QLYFSLLSQDRPRK-SNVBAGLBSA-N	307.191	3.401	10	20	DGCD	
Oc1cc(Br)ccc1CNCC1SCCS1	703113197	PETQFEJOGRJPPD-UHFFFAOYSA-N	320.277	3.050	10	20	DGCD	
CC(C)CCO[C@H](C)C(=O)NCCCSc1nccs1	733884266	ORUOQXIZZNRHLF-GFCCVEGCSA-N	316.492	3.193	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1CCSCC1	734670010	DBSYDQXYXAVEGB-UHFFFAOYSA-N	321.490	3.003	10	20	DGCD	
CC[C@@H](OC(=O)c1cc(O)cs1)C(=O)c1ccc(OC)cc1	738653478	ZJUAJVMYKKNIOO-CYBMUJFWSA-N	320.366	3.281	10	20	DGCD	
C[C@H](OC(=O)c1cc(O)cs1)c1nc(-c2ccccc2)no1	745001878	DJXMZLINFACRNL-VIFPVBQESA-N	316.338	3.422	10	20	DGCD	
CN(C)c1ccc(CNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1F	746684645	ADIPTSLASZQAQL-WHOFXGATSA-N	321.465	3.044	10	20	DGCD	
O=C(NCc1ccccc1O)C(F)(F)c1cccc(Cl)c1	748346562	MMFYSLQLQCAWSB-UHFFFAOYSA-N	311.715	3.454	10	20	DGCD	
C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1O	756686944	UHBSMWOUNRKLIB-VIFPVBQESA-N	308.284	3.429	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1cc2c(cc1O)CCCC2)C(F)(F)F	756835502	NJMZZDJXSVRUQT-ZUZCIYMTSA-N	317.351	3.499	10	20	DGCD	
COc1cc(CN(C)[C@@H]2C[C@](C)(OC)C2(C)C)c(O)cc1C	768464883	BYYIQSBONMXTDO-AEFFLSMTSA-N	307.434	3.345	10	20	DGCD	
C[C@H](NC(=O)c1cnn(C(C)(C)C)c1)c1ccc(N(C)C)cc1	773005828	DAMFCYFKZABQOO-ZDUSSCGKSA-N	314.433	3.195	10	20	DGCD	
CC(C)COCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773147275	FCWKOZUSRQRFKB-OAHLLOKOSA-N	321.465	3.176	10	20	DGCD	
C[C@@H](NC(=O)N[C@H](C)c1cccnc1)c1ccc(N(C)C)cc1	776101374	XHCJYGYZOARSAF-ZIAGYGMSSA-N	312.417	3.269	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(O)c1	792780443	PUHPJCMIOVMFRF-SLEUVZQESA-N	306.406	3.025	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(C)n(C(C)C)c2C)c(O)c1	794382027	VWPMAKFQLLUCFD-UHFFFAOYSA-N	316.401	3.330	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1occ2c1CCC2	795204208	MORGNVZQGSAWMM-UHFFFAOYSA-N	310.397	3.299	10	20	DGCD	
CN(C)c1ccc(CN(c2ccnc3c2cnn3C)C2CC2)cc1	804362595	ICJYEDOKFZLGFI-UHFFFAOYSA-N	321.428	3.203	10	20	DGCD	
COc1cccc(CNc2nc3ccc(F)cc3n2C)c1O	814256596	SWTBBIVHENKAKQ-UHFFFAOYSA-N	301.321	3.039	10	20	DGCD	
Cc1cc(O)c(CNc2ccc(F)c(NC(N)=O)c2)cc1C	814301407	YVMRPLOSPCHDPX-UHFFFAOYSA-N	303.337	3.251	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2[C@H]3CC[C@H]2COC3)c1C	838091200	XZOCSTDTRKREPO-IRXDYDNUSA-N	324.424	3.406	10	20	DGCD	
COc1ccc(C[C@@H](C)CNCCc2ccc(N)cc2)cc1F	841036538	ULIOFWBJGDNTFP-CQSZACIVSA-N	316.420	3.427	10	20	DGCD	
CCOc1cccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(N)cc2)c1	841298280	ZCZZIXXKXPDTQW-DLBZAZTESA-N	311.385	3.345	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CC2CCC2)C(=O)O)cc1F	841815356	DXOPQPMJSMUVEY-INIZCTEOSA-N	322.424	3.405	10	20	DGCD	
CON(C[C@H]1CCC[C@@H](C)C1)C(=O)NCCc1ccc(N)cc1	841956249	ZSTCELOQWRADFL-ZBFHGGJFSA-N	319.449	3.211	10	20	DGCD	
CC[C@H]1Cc2ccccc2CN1C(=O)NCCc1ccc(N)cc1	841960160	WOPWEMKIUZKZLC-IBGZPJMESA-N	323.440	3.358	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC([C@H]3CCNC3)CC2)cc1	843128333	WFYGAQISFCBMNT-IBGZPJMESA-N	315.505	3.354	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](O)c2ccc(Cl)cc2)c1O	846136058	HRXWOYDXHVBXLM-ABAIWWIYSA-N	321.804	3.438	10	20	DGCD	
C[C@H]1C(=O)CC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1(C)C	846474164	RREGISBYVHWQJY-GXFFZTMASA-N	323.820	3.303	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@H]2CCCN3CCCC[C@@H]23)cc1F	858185929	KGQFVGNTADDWDV-IRXDYDNUSA-N	323.431	3.137	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H]2CCCCN(C)C2)cc1	858244132	ACXLBXDTXNRLCL-SFHVURJKSA-N	303.494	3.354	10	20	DGCD	
COc1cc(O)c(CNc2cccc(OC)c2C)cc1OC	862480689	HERUMINZKUESAI-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
COCCCOc1cccc(CNCc2c(C)cccc2O)c1	877112750	UHAPBJACFCCTJM-UHFFFAOYSA-N	315.413	3.406	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNCC3CCSCC3)C2)cc1	877598422	OCJDAFITVSPGNR-INIZCTEOSA-N	320.502	3.254	10	20	DGCD	
CN(Cc1ccc2c(c1)OCCO2)Cc1cc(F)cc(F)c1O	893900365	FLBUDBLRJHGKFT-UHFFFAOYSA-N	321.323	3.074	10	20	DGCD	
CC[C@@](C)(NC(=O)N(C)Cc1ccccc1O)C(F)(F)F	933536971	HPGIATBEWKIXCL-CYBMUJFWSA-N	304.312	3.265	10	20	DGCD	
OCCCC1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1320886824	WOHNPIKZSCSODF-UHFFFAOYSA-N	302.462	3.271	10	20	DGCD	
Cc1ccccc1NC(=N)NCc1ccc(N(C)C)c(F)c1	1330027130	GPJCHZZUPGDVQN-UHFFFAOYSA-N	300.381	3.337	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCCC[C@H](C)C1	1520739524	ZPPAMXMFOIMWDX-NSHDSACASA-N	306.435	3.359	10	20	DGCD	
Cc1cccc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c1O	1600533475	SVNUEPFJUXDVFX-DLBZAZTESA-N	311.381	3.001	10	20	DGCD	
Cc1ccc(O)c(CN(Cc2ccccc2)C[C@H](C)C(=O)O)c1	1610509590	LTQWCCGSEHZCLK-HNNXBMFYSA-N	313.397	3.424	10	20	DGCD	
O=C(O)C[C@@H]1CCCN1Cc1cc(-c2ccccc2)ccc1O	1610763598	ZVMHKYXZQGHAQX-KRWDZBQOSA-N	311.381	3.498	10	20	DGCD	
CC/C(C)=C/C(=O)NC[C@@H](C)CNCc1ccc(OC)c(C)c1	1753612511	HFYCVRHJDPRZOV-HNRFISLBSA-N	318.461	3.202	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1Cl	27384097	MFBUODMLQCIOTE-UHFFFAOYSA-N	303.793	3.073	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1O	73439969	IPEAMEICJYAWLN-OUCADQQQSA-N	306.406	3.025	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C[C@@H](C)O)C2CCCCC2)c1O	79410992	CKRJBLJFZIEDJY-GFCCVEGCSA-N	323.408	3.249	10	20	DGCD	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccoc1	85709744	KGPQGFROIWKZPZ-UHFFFAOYSA-N	317.300	3.307	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cccc(C)c2C)c1O	104969514	IHSUFUXQHXXAHF-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(C)=O)cc2)c1	111608263	BMSLZFQLNSHKGB-NSHDSACASA-N	313.353	3.094	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(c3ccccc3F)CC2)c1	125264816	PMKHTZLUQKMGIG-UHFFFAOYSA-N	314.404	3.470	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc3c2CCCN3)cc1	130208611	YWRAFBIKEQNRKO-UHFFFAOYSA-N	309.413	3.041	10	20	DGCD	
CCN(CC)C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	131381804	WBZSXHMGMLNZJV-MRXNPFEDSA-N	307.457	3.055	10	20	DGCD	
CS[C@@H](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	152875841	XDMOSKQDGQTBDF-DZGCQCFKSA-N	323.458	3.041	10	20	DGCD	
Cc1nc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)s1	159337217	CNKWBRYVJHEJNW-UHFFFAOYSA-N	317.458	3.027	10	20	DGCD	
COc1cc(Br)cc(CNCc2ccoc2)c1O	171128406	WOEQRMZWXYXVPE-UHFFFAOYSA-N	312.163	3.046	10	20	DGCD	
CS[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1	172402330	QZPXXQYBZZCTRD-MRXNPFEDSA-N	301.411	3.455	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)CC(C)(C)O)c2C)c1	174521737	ZJXGFIGLIUZEEZ-UHFFFAOYSA-N	314.429	3.245	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N[C@@H]3CCOC3)c2C)c1	179203447	CTMDGVQBCDZNJD-MRXNPFEDSA-N	312.413	3.230	10	20	DGCD	
C[C@@H](N[C@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1O	185468407	KZDQPTDBDSDKBH-AGKHESDQSA-N	307.340	3.443	10	20	DGCD	
COC(=O)N1CCC([C@H](C)N[C@H](C)c2cc(C)ccc2O)CC1	186764952	YNCCISSTZGQUHU-UONOGXRCSA-N	320.433	3.218	10	20	DGCD	
COC(=O)N1CCC([C@@H](C)N[C@H](C)c2cc(C)ccc2O)CC1	186764993	YNCCISSTZGQUHU-ZIAGYGMSSA-N	320.433	3.218	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1	194158368	SQUCAZKLTAWNBG-LJQANCHMSA-N	314.404	3.465	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCCO1	267951516	MOCUBFWXOCHLCJ-SFHVURJKSA-N	318.461	3.449	10	20	DGCD	
COc1cccc(CN2CC[C@H](COc3ccccc3)C2)c1O	272470013	ABJYJJVDYUGOQL-HNNXBMFYSA-N	313.397	3.302	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@@]2(C)CCCOC2)C2CC2)cc1	272656825	ROMMDWWJTGVESG-IBGZPJMESA-N	316.445	3.060	10	20	DGCD	
COCc1ccccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273299377	AZCVLIVDVAEIAO-LBPRGKRZSA-N	316.357	3.298	10	20	DGCD	
Cc1ccc([C@@H](C)NCCNC(=O)OC(C)(C)C)c(O)c1C	273614487	WXRUIIOYNODVPC-CYBMUJFWSA-N	308.422	3.184	10	20	DGCD	
COCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1	278837828	JIQISKSREYGGIX-UHFFFAOYSA-N	318.329	3.068	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnn(CC)c1	282451591	IVGGTOIYICVMGC-UHFFFAOYSA-N	301.390	3.051	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ocnc1C1CC1	289467485	YTQVGNBEPZXMGL-UHFFFAOYSA-N	313.401	3.280	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCCN2)cc1	316305807	ZXRIBOLIJITXGI-GBESFXJTSA-N	301.478	3.153	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CN(C)Cc3ccccc32)c1	370376189	XDDZTXHKNZYWNC-ACJLOTCBSA-N	312.413	3.238	10	20	DGCD	
Cn1nccc1CCN1CCCc2cc(OC(F)F)ccc21	374828124	JKIVKTWEXWMQHO-UHFFFAOYSA-N	307.344	3.017	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CNC[C@@H]1CCCO1	708056471	LOPGHYSSUDSRIO-JTQLQIEISA-N	320.614	3.077	10	20	DGCD	
C[C@@H](NC[C@H](c1ccco1)N(C)C)c1cc(F)cc(F)c1O	756351123	IXGQVMKBMJNTDE-QMTHXVAHSA-N	310.344	3.217	10	20	DGCD	
CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1(C)C	756788831	DBHIUPVRDSPCRE-XEQNPHJVSA-N	308.378	3.011	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(OC)cc2)c1	756794809	DFYGLJMCNJHVEH-LLVKDONJSA-N	301.342	3.361	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1F	757852638	PVWODBAQPSVSOU-BBRMVZONSA-N	322.424	3.308	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN=c1cc[nH]cc1Br	775476853	IOMLCPAZQMNNJZ-UHFFFAOYSA-N	320.234	3.253	10	20	DGCD	
CC[C@@H](NCCNC(=O)c1ccco1)c1cc(Cl)ccc1O	775485751	ZPNJXHRFAADKJI-CYBMUJFWSA-N	322.792	3.109	10	20	DGCD	
CC[C@@H](NCCCC(=O)NC)c1ccc(Cl)c(Cl)c1O	775496293	FSFNWAZBWCDSPJ-LLVKDONJSA-N	319.232	3.266	10	20	DGCD	
C[C@H]1C[C@@H](N[C@@H](CO)Cc2ccccc2)c2c(O)ccc(F)c21	775554957	QDPRQKHYKWTPDS-JGGQBBKZSA-N	315.388	3.273	10	20	DGCD	
CCCCC[C@@H](CC)C(=O)OCC(=O)c1ccc(O)c(O)c1	784543647	HLMPMGVAALAZJX-GFCCVEGCSA-N	308.374	3.430	10	20	DGCD	
Cc1ccc(CN(CCO)Cc2c(O)ccc(Cl)c2F)cc1	792174680	YZOJJCUUYORLPP-UHFFFAOYSA-N	323.795	3.488	10	20	DGCD	
COc1ccc(N(CCC(C)C)CCN2CCCC2=O)cc1	796506834	ZWHGXWCQBRIDLU-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CC[C@@H]3C3CC3)cc2F)CC1	806133287	KUABYQHDDRENSP-SJLPKXTDSA-N	318.436	3.065	10	20	DGCD	
CC[C@@H](NCCOC[C@@H]1CCOC1)c1cccc(Cl)c1O	806139566	PRPWBNZACDWTJE-IUODEOHRSA-N	313.825	3.139	10	20	DGCD	
Cc1c(-c2cc(COc3ccc(N(C)C)cc3)on2)cnn1C	810001001	TVBMRUQFPQEWQZ-UHFFFAOYSA-N	312.373	3.029	10	20	DGCD	
COc1ccc(O)c(CNc2ncccc2Br)c1	811806434	WOBPUPPQTFXWLA-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
Cc1cc(CN2CC[C@H](CN3CCCCC3)C2)ccc1N(C)C	815055116	WESBEOGFZZHADI-LJQANCHMSA-N	315.505	3.369	10	20	DGCD	
CCN1CCC(N(C)Cc2cc(Cl)c(F)cc2O)CC1	816484093	PKHYXMLAEAXYOZ-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CC[C@H](C2CCOCC2)C1	816516879	UYXVDZDTLGLHRN-LBPRGKRZSA-N	313.800	3.433	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)c3cc(C)on3)C2)cc1	818342094	LMIXMTMVZRARMC-CABCVRRESA-N	315.417	3.169	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C)C3)C2)cc1	819585850	IPMFNZRLGCMWQN-OAGGEKHMSA-N	316.445	3.074	10	20	DGCD	
COc1cc(O)c(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1OC	824702046	HFFFFMJXGOGOMJ-JUIVLLAYSA-N	315.413	3.053	10	20	DGCD	
CSCc1cccnc1C(=O)N[C@H](C)c1ccccc1O	827946520	KUNUWPCCUKZMMP-LLVKDONJSA-N	302.399	3.141	10	20	DGCD	
Fc1cc(CNC2CC3(CCC3)C2)cc(F)c1N1CCOCC1	839145142	MBKWOUIDBISFHD-UHFFFAOYSA-N	322.399	3.224	10	20	DGCD	
CCCCCCO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1	839471958	ZLLVHHDDJUIKOP-OAHLLOKOSA-N	306.450	3.354	10	20	DGCD	
COCCCOc1cccc(CNCCc2ccc(N)cc2)c1	841035862	PNZZGVDYJYADKB-UHFFFAOYSA-N	314.429	3.016	10	20	DGCD	
CC(C)(C)Oc1ccc(CNC(=O)Nc2ccc(N)cc2)cn1	841296189	QGKFZNTUTUESTB-UHFFFAOYSA-N	314.389	3.163	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@@H](C)c1ccc(Cl)cc1O	841760169	RKRIQQLOYGOELN-JTQLQIEISA-N	323.824	3.201	10	20	DGCD	
CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)[C@H]1CC1(C)C	841890750	KAZUZURKVHMNSG-VXGBXAGGSA-N	308.378	3.223	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H]2[C@H](C1)C2(F)F	846601982	QYXQEQMXDYWTLZ-RYUDHWBXSA-N	322.380	3.493	10	20	DGCD	
CC[C@@H](NCc1nnn(C(C)(C)C)n1)c1cc(Cl)ccc1O	848560878	MNHIRIKKVCZWJG-GFCCVEGCSA-N	323.828	3.028	10	20	DGCD	
CCc1cccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1O	848891548	ZYOWWLUIFSRUNE-VQIMIIECSA-N	314.473	3.403	10	20	DGCD	
C[C@@H](N[C@@H]1COc2cc(F)ccc2C1)c1cc(F)ccc1O	850536648	IPGLNOJVUOKXQZ-YGRLFVJLSA-N	305.324	3.325	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc(N3CCCC3)c2)cc1	854271612	NFJXGHYJANUKJN-UHFFFAOYSA-N	323.440	3.283	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cc(C3CC3)n(C)n2)cc1F	858165078	AIKFUZLPVHJTNH-UHFFFAOYSA-N	306.360	3.254	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCC2CC2)cc1	859666748	VJRMBCVHJCWMES-UHFFFAOYSA-N	324.424	3.365	10	20	DGCD	
CN(C)Cc1ccnc(NCc2cc(F)c(N(C)C)cc2F)c1	862303419	RSCJCOYFWXLSSN-UHFFFAOYSA-N	320.387	3.100	10	20	DGCD	
C[C@H](NC(=O)N1C[C@H]2CC=CC[C@H]2C1)c1ccc(N(C)C)cc1	868515937	XGMHWMKTUPRYMI-BHYGNILZSA-N	313.445	3.421	10	20	DGCD	
COc1ccc(COCCNCc2c(C)cccc2O)cc1	877133419	JIDJYSHWEXPFTJ-UHFFFAOYSA-N	301.386	3.016	10	20	DGCD	
CN(C)c1ccc([C@@H](CNC(=O)CCCC2CC2)N(C)C)cc1	891247273	HWCWKLACJCXFTA-GOSISDBHSA-N	317.477	3.052	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)NCc2cc(C)cc(OC)c2O)n[nH]1	894554917	BPFVCVRBZZSHNF-RYUDHWBXSA-N	318.421	3.192	10	20	DGCD	
C[C@H]1COC[C@@H]1NCc1ccc(OCc2ccccc2)cc1O	896737356	RRYAZBNSYZBJSG-KSSFIOAISA-N	313.397	3.096	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C)[C@](C)(C(=O)O)C2)cc1	901543973	LFBGAXVZWHZJPV-RDTXWAMCSA-N	304.434	3.075	10	20	DGCD	
CC[C@]1(C(=O)O)CCCN(C/C=C\c2ccc(N(C)C)cc2)C1	904399018	WVKCXXPFXOCRED-WPGJWXSHSA-N	316.445	3.343	10	20	DGCD	
OCC[C@@H](CNCc1ccc2c(c1)CCCO2)c1ccccc1	921767172	OICIHFQHLSDPSW-IBGZPJMESA-N	311.425	3.267	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](c2cnn(C)c2)C(C)C)c1	927072687	YRHUTQRBJMLWNV-YVEFUNNKSA-N	303.406	3.182	10	20	DGCD	
CCOCCOCCN[C@@H](C)c1cc(Cl)cc(C)c1O	927085467	IJYUCVYOPMBIKW-LBPRGKRZSA-N	301.814	3.058	10	20	DGCD	
CC[C@@H](C)C(=O)N1CCC(NCc2ccc(OC)c(C)c2)CC1	989967976	PKARTHHZWHINPP-CQSZACIVSA-N	318.461	3.130	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC(C2CC2)C2CC2)c1	1115990061	OOBHDVYLOCFJMZ-LLVKDONJSA-N	303.402	3.404	10	20	DGCD	
C[C@@H](CCC[C@H](C)C(=O)O)NCc1cc(F)cc(F)c1O	1262162400	NLWVCJYBLGIZFS-UWVGGRQHSA-N	301.333	3.040	10	20	DGCD	
CCOc1ccc(O)c(CN2Cc3ccc([N+](=O)[O-])cc3C2)c1	1320509405	PSMDWLYBIJDIFV-UHFFFAOYSA-N	314.341	3.215	10	20	DGCD	
CCc1ccnc(C(=O)Nc2c(Cl)ccc3nonc23)c1	1324139532	CDQSKWGDVRCQOW-UHFFFAOYSA-N	302.721	3.086	10	20	DGCD	
CC(C)C(C)(C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1328656519	ILLOSTQWLQFAKQ-UHFFFAOYSA-N	307.457	3.102	10	20	DGCD	
CNCCc1ccccc1C(=O)N1CCc2cc(Cl)ccc21	1355389899	JRGJJCPSQCTFAY-UHFFFAOYSA-N	314.816	3.305	10	20	DGCD	
CC(C)Cn1cc(N[C@H](C)c2cc(C(=O)O)ccc2O)cn1	1591523746	QFBHNPMDCWVMGC-LLVKDONJSA-N	303.362	3.116	10	20	DGCD	
Cc1cc(C(=O)CSc2ncc(C(=O)O)s2)c(C)s1	1600077465	SDKBHRPMQFLEHR-UHFFFAOYSA-N	313.425	3.495	10	20	DGCD	
C[C@H](Sc1ncc(C(=O)O)s1)c1nc(C(C)(C)C)no1	1609805418	PSJLAWJWGWSURF-LURJTMIESA-N	313.404	3.375	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@H]2CCCO2)c1C	46467646	CKMQKZZUIXOBCF-MRXNPFEDSA-N	312.413	3.311	10	20	DGCD	
Cc1ccc([C@H]2COCCN2Cc2ccc(N(C)C)cc2)o1	93459574	BRDOWWHSHRPSEE-QGZVFWFLSA-N	300.402	3.228	10	20	DGCD	
CCS[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)C(C)C	115280517	OMQYDINKNVAVJU-MRXNPFEDSA-N	308.491	3.455	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN(C1CCCC1)C1CC1	130216112	UULLIYANUJJBNP-UHFFFAOYSA-N	300.446	3.430	10	20	DGCD	
Cc1ncc([C@H](C)NCCCSc2nccs2)c(C)n1	132208597	UVIHDXVFQFBSJV-JTQLQIEISA-N	308.476	3.383	10	20	DGCD	
CC[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1	154609366	SDWWCKIJCZCXPR-LBPRGKRZSA-N	313.492	3.457	10	20	DGCD	
COc1cc(CN2CC[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1	164483755	RNLYBIHLQPNMAF-IBGZPJMESA-N	319.445	3.311	10	20	DGCD	
CCN(CCCCOC)Cc1cc(Br)ccc1O	174424319	BLPLLUMKBAJSQH-UHFFFAOYSA-N	316.239	3.403	10	20	DGCD	
Cc1c(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cnn1C	179908723	RUWFINAXNFPVHG-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	180847470	RMWRRTTUYUTRDN-FSEJROPFSA-N	321.442	3.292	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@@H](C)c2cc(C)ccc2O)cc1	184948216	YEYJTDCVRRHKRD-UGSOOPFHSA-N	301.386	3.093	10	20	DGCD	
COc1ccc([C@H](O)CN[C@@H](C)c2cc(C)ccc2O)cc1	184948256	YEYJTDCVRRHKRD-SCLBCKFNSA-N	301.386	3.093	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCc2nn(C)c3ccccc23)c1	186480735	GSIUGDVKVJKBQB-AWEZNQCLSA-N	309.413	3.481	10	20	DGCD	
COCCN(Cc1cncc(C)c1)c1ccc(OC)c(OC)c1	189957256	VCLHEAMEWXUEDS-UHFFFAOYSA-N	316.401	3.060	10	20	DGCD	
Cn1cccc1C(=O)CN1CCCc2cc(OC(F)F)ccc21	193988891	JXOLEABPKWGBPP-UHFFFAOYSA-N	320.339	3.262	10	20	DGCD	
Cc1cccc(CNC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1O	224811631	ADUKEBVGUDMVOU-HNNXBMFYSA-N	322.449	3.340	10	20	DGCD	
CCOC(=O)/C(=C\c1cnc(C(C)(C)C)s1)c1nccn1C	265501851	KSLYIYULNGECIO-XFXZXTDPSA-N	319.430	3.278	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SC[C@@](C)(O)C(F)(F)F	281067096	SKGPJTMVSBVCRX-CYBMUJFWSA-N	316.348	3.493	10	20	DGCD	
CC[C@H](NCCCOCCO)c1cc(Cl)cc(Cl)c1O	287601317	IPGJJEWAFGCUHL-ZDUSSCGKSA-N	322.232	3.139	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCC[C@H]2[C@@H]2CCCN2)c1O	317642635	QNEUKZIOBCIGII-GJZGRUSLSA-N	324.852	3.161	10	20	DGCD	
COc1cccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)c1O	368167130	LHYTYKPXHHYCEP-INIZCTEOSA-N	317.360	3.193	10	20	DGCD	
COc1cc(Cl)cc(CN2CCOC[C@@H]2c2ccco2)c1O	368625327	YQUATRXZNNEZNC-CYBMUJFWSA-N	323.776	3.221	10	20	DGCD	
C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccsc1	437002937	ARGLSEBZXSZMAO-LBPRGKRZSA-N	316.426	3.343	10	20	DGCD	
Cc1c(CNC(=O)c2cnc(C3CC3)nc2)n(C)c2ccccc12	451313449	MFCFEWGTNWFPLP-UHFFFAOYSA-N	320.396	3.084	10	20	DGCD	
CC(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)o2)cc1	543042352	AMTAPUFCOILEJC-UHFFFAOYSA-N	311.362	3.360	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(Br)cc2O)CS1	691408577	YVHRTESXWBTDJH-KWQFWETISA-N	302.237	3.138	10	20	DGCD	
CCc1cccc(CNC[C@@H](CC)NC(=O)OC(C)(C)C)c1O	691507969	FUUVOWIJKNGQIJ-OAHLLOKOSA-N	322.449	3.348	10	20	DGCD	
CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)Cc1ccccc1O	731843840	YVBWQPVYNJWWJL-GDBMZVCRSA-N	304.434	3.004	10	20	DGCD	
CCCN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	732590282	MEOKKFWFOKCHGF-UHFFFAOYSA-N	301.478	3.205	10	20	DGCD	
COc1ccccc1OCCNCc1c(O)cccc1Cl	733323303	TXGTWXBVLUQVIS-UHFFFAOYSA-N	307.777	3.223	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N(C)C2CCCCC2)cc1	740423121	BMPULEITHYRSNJ-UHFFFAOYSA-N	304.434	3.313	10	20	DGCD	
COCc1cccc(CN(C)c2ccc(OC)c(OC)c2)c1	749514746	KSNFECKODCOFCF-UHFFFAOYSA-N	301.386	3.487	10	20	DGCD	
O=C(O)CCCCCNCc1cc(Cl)cc(Cl)c1O	756299369	XQNJJQMCFIWBSI-UHFFFAOYSA-N	306.189	3.434	10	20	DGCD	
Cc1cc(O)c(CNc2ccccc2C[S@](C)=O)cc1C	762557081	SXHYADUEZIFXDM-NRFANRHFSA-N	303.427	3.500	10	20	DGCD	
O=C(C=C1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	762805557	LMDQCDTZZQJRNR-QGZVFWFLSA-N	315.413	3.400	10	20	DGCD	
CN(C)c1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1	765658393	RBQZBNTXGMBOFE-UHFFFAOYSA-N	311.429	3.218	10	20	DGCD	
COc1cccc(CNC(=O)/C=C\c2ccc3[nH]ccc3c2)c1O	765864633	NTMRVZUNDYZPOM-VURMDHGXSA-N	322.364	3.212	10	20	DGCD	
C[C@@H](NC(=O)c1coc(C2CCC2)n1)c1ccc(N(C)C)cc1	766910000	MRICGYSFHXVVOJ-GFCCVEGCSA-N	313.401	3.499	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](OC)C(C)C)cc1	769803410	MSGFDRZZTPUOHE-KRWDZBQOSA-N	306.450	3.162	10	20	DGCD	
C[C@H](NC(=O)c1ccc(O)cc1F)c1ccc(N(C)C)cc1	775406900	PZDKEECXJILIFP-NSHDSACASA-N	302.349	3.088	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c(O)c1O	783870643	YFOWKQBUTYUALB-JTQLQIEISA-N	305.296	3.113	10	20	DGCD	
CCOc1cccc(CN(CCOC)[C@H]2CC[C@@H](C)C2)c1O	792192316	HQBYSARVRFZAAN-ZBFHGGJFSA-N	307.434	3.428	10	20	DGCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc2cc[nH]c2c1	792579005	SEVVRIFHUBTMJV-XVNBXDOJSA-N	308.337	3.255	10	20	DGCD	
CC[C@H](C)[C@@H](OC)C(=O)N(CC)Cc1ccc(N(C)C)cc1	793245225	KFPNELJLELJIHU-WMLDXEAASA-N	306.450	3.162	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1Cc2ccc(F)cc21	793515569	OOHKDZHBJIRGGM-GOSISDBHSA-N	312.388	3.156	10	20	DGCD	
CC[C@@H](NCCCN(C)CC(F)(F)F)c1ccc(F)cc1O	796692579	GGOJVVIXVQBWKP-CYBMUJFWSA-N	322.346	3.456	10	20	DGCD	
CC[C@H](NC[C@H]1COCCO1)c1cc(Cl)cc(Cl)c1O	806132376	VPHMFWBEJMKFCI-GWCFXTLKSA-N	320.216	3.155	10	20	DGCD	
O=C(COC1CCCC1)NCc1cc(Cl)cc(Cl)c1O	807838661	NEDSJCMUXNEDDN-UHFFFAOYSA-N	318.200	3.274	10	20	DGCD	
CCc1c(Cl)nc(C)nc1NCc1cc(OC)ccc1O	811805294	PCYJOOKCKUBWLL-UHFFFAOYSA-N	307.781	3.327	10	20	DGCD	
CC[C@@H](N[C@@H](C)CCCN)c1cc(Br)ccc1O	817977885	RCNHNYAHBCUSQA-GXFFZTMASA-N	315.255	3.323	10	20	DGCD	
CCC(CC)(CC)CN1C(=O)CN(Cc2ccccc2O)C1=O	819171513	YKEREJOUKWKRQX-UHFFFAOYSA-N	318.417	3.373	10	20	DGCD	
CCc1cccc(CN[C@H](COC)c2cccc(OC)c2)c1O	827012525	ZVZNJJRRZHANNA-GOSISDBHSA-N	315.413	3.441	10	20	DGCD	
CCN1C(=O)/C(=C/c2c[nH]c(C(F)(F)F)c2)SC1=S	834398504	LXDUVXKTIYBMRD-CLTKARDFSA-N	306.334	3.255	10	20	DGCD	
C[C@H](NCCC1(CO)CC1)c1cccc(C(F)(F)F)c1O	834896261	JCTAVEWMVZOZIU-JTQLQIEISA-N	303.324	3.224	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)CCC=C(C)C)c(O)c1	836564745	PKULWOZUIHAAEQ-CYBMUJFWSA-N	306.406	3.335	10	20	DGCD	
CC[C@H](NC(=O)NCc1cccc(OC)c1O)C1CCCC1	838706267	YEXKCFWPOUYHFF-AWEZNQCLSA-N	306.406	3.169	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@@]2(C)C(C)C)c1	838766086	STCYJQAWGIEFES-CXMBCZLWSA-N	306.406	3.196	10	20	DGCD	
CCO[C@@H](CC)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	841141726	IUGNPNJLCUDSRY-AWEZNQCLSA-N	324.384	3.150	10	20	DGCD	
CN(CCCCC(F)(F)F)c1ccc(OCC(=O)O)cc1	846279568	GGMWRLKPMAHTFP-UHFFFAOYSA-N	305.296	3.319	10	20	DGCD	
Cc1ccc(CNC(=N)NCc2ccc3c(c2)CCCN3C)cc1	849066744	PLJHAOZVINJFBH-UHFFFAOYSA-N	322.456	3.192	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc(Cl)ccc1O)CC1(C)OCCO1	866424138	CPDOCTRQZGGKIU-VXGBXAGGSA-N	313.825	3.485	10	20	DGCD	
Cc1ccc(CNC[C@@H](O)c2c(F)cccc2Cl)c(O)c1	877057973	BSAGUXCPVQYNAD-OAHLLOKOSA-N	309.768	3.316	10	20	DGCD	
CCO[C@H]1CCN(Cc2cc(C)cc(Br)c2O)C1	897069206	RZQRFYZFSJOPSB-LBPRGKRZSA-N	314.223	3.074	10	20	DGCD	
CC(C)[C@H](NCc1cc(Cl)c(F)cc1O)c1cnn(C)c1	897081573	PMOPJQPCVCMUCO-HNNXBMFYSA-N	311.788	3.405	10	20	DGCD	
CN(C)c1ccc([C@H](CNc2ncccc2F)N(C)C)cc1	897525085	JUEXUNHHSQGJEC-INIZCTEOSA-N	302.397	3.002	10	20	DGCD	
O=C(O)[C@H](CNCc1ccc2c(c1)CCCO2)CC1CCCC1	900083427	IGUSRQVVEBDPMX-KRWDZBQOSA-N	317.429	3.382	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCc2cnn(C)c2)cc1	917230893	QNOKQNCONWFTOM-UHFFFAOYSA-N	309.369	3.185	10	20	DGCD	
C[C@@H]1CCN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2S1	929691129	YMVJLKSZPDFQMM-SBDDDAINSA-N	313.426	3.351	10	20	DGCD	
COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2)Cc2ccccc21	1118847448	MNRQXBWGBGWNPA-LJQANCHMSA-N	324.424	3.025	10	20	DGCD	
OC[C@@H]1c2ccccc2CCN1Cc1ccc(N2CCCC2)cc1	1254010454	GAGFVUVIEFXAEB-OAQYLSRUSA-N	322.452	3.379	10	20	DGCD	
O=C(COc1ccccc1F)Nc1c(Cl)ccc2nonc12	1326698964	SMOWXUBFSUGGRQ-UHFFFAOYSA-N	321.695	3.033	10	20	DGCD	
COc1ccc(CN[C@H]2CCC[C@H](F)C2)cc1Cn1cccn1	1332314619	ZULPUVHKGGAPSY-IRXDYDNUSA-N	317.408	3.310	10	20	DGCD	
COc1cc(C)cc(CNCCCOCc2ccccc2)c1O	1333706293	YGHYFONHNDQOIT-UHFFFAOYSA-N	315.413	3.406	10	20	DGCD	
Cc1cc(C(=O)NCc2cccc(O)c2O)c(C)n1C(C)C	1347530644	GRGWMLLAFALRMO-UHFFFAOYSA-N	302.374	3.027	10	20	DGCD	
COc1cc(CNCCC(C)(C)C(=O)O)c(O)c(C(C)(C)C)c1	1594058473	XYNFZQCAARQASZ-UHFFFAOYSA-N	323.433	3.289	10	20	DGCD	
Cc1cc(CNc2cncc(C(=O)O)n2)c(C)n1-c1ccccc1	1600212874	WJHDTUKFFZTRHP-UHFFFAOYSA-N	322.368	3.194	10	20	DGCD	
Cc1ccc(O)c(CNCc2ccnc3c(C(=O)O)cccc23)c1	1600464536	FHCYOXDVSXHJNJ-UHFFFAOYSA-N	322.364	3.237	10	20	DGCD	
O=C(O)[C@@H]1c2ccccc2CCN1Cc1cccc(Cl)c1O	1601869457	WFZLHVZFYPHRJA-HNNXBMFYSA-N	317.772	3.230	10	20	DGCD	
Cc1csc(CCCN[C@H](C)c2cc(C(=O)O)ccc2O)n1	1610546474	UABKVUNUQMWHHC-LLVKDONJSA-N	320.414	3.139	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cc1	57118021	HALJZZODYRPDCW-UHFFFAOYSA-N	312.417	3.063	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2=C(C)OCCC2)cc1	179317247	UMSIHJDDQSVVTE-UHFFFAOYSA-N	302.418	3.233	10	20	DGCD	
O=C(NCCCSc1nccs1)NCCc1ccccc1	115633172	IHLJZDQZXDFUDP-UHFFFAOYSA-N	321.471	3.167	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccnn2C(C)C)c1	103503227	LSHFHLOVSQOGKT-LLVKDONJSA-N	318.377	3.061	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccc(F)cc1O	184984118	PRNGECOXAYHRCP-CYBMUJFWSA-N	315.392	3.377	10	20	DGCD	
C[C@H](Cc1cccc(F)c1)C(=O)N(C)Cc1ccccc1O	70822484	HBKGDVZTVSGYCZ-CYBMUJFWSA-N	301.361	3.369	10	20	DGCD	
COCC[C@](C)(O)CN[C@H](C)c1ccc(Cl)c(Cl)c1O	185468006	UCOQDIBQYRGDGB-OTYXRUKQSA-N	322.232	3.137	10	20	DGCD	
C[C@@H](NCCCOCC1CCOCC1)c1ccc(F)cc1O	185520155	VAJMMXZUZPXXCL-CYBMUJFWSA-N	311.397	3.015	10	20	DGCD	
CCOC(CN(Cc1ccco1)Cc1ccccc1O)OCC	124942706	WBAWRQLGZHTZPB-UHFFFAOYSA-N	319.401	3.387	10	20	DGCD	
Cc1cccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1O	183209961	DYOMLPRECVZRFY-QGZVFWFLSA-N	301.361	3.493	10	20	DGCD	
C[C@@H](NCCc1cnn(-c2ccccc2)c1)c1ccccc1O	183405064	FBKQEYSMCWRZOZ-OAHLLOKOSA-N	307.397	3.471	10	20	DGCD	
Cc1cccc(CNC[C@H](c2ccco2)N2CCCC2)c1O	181523826	OMKWDYPFEOSQGY-MRXNPFEDSA-N	300.402	3.220	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1	47890544	WWGZVRBMJWTEPT-HNNXBMFYSA-N	324.428	3.242	10	20	DGCD	
CCOC(=O)[C@](C)(CNCc1ccccc1O)c1ccccc1	191640067	JKMZWWPIPHJMPF-LJQANCHMSA-N	313.397	3.003	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCC2CCOCC2)cc1	194694822	WWNPWVJPBCPIOS-UHFFFAOYSA-N	312.413	3.251	10	20	DGCD	
COc1ccccc1CN(CCO)Cc1cc(C)c(C)cc1O	91790373	UMJSMZOSAYMHEH-UHFFFAOYSA-N	315.413	3.012	10	20	DGCD	
CCC(C)(C)OCC(=O)NCc1c(C)c2ccccc2n1C	457771780	VEGVCNKMGRRVAF-UHFFFAOYSA-N	302.418	3.308	10	20	DGCD	
Cc1ccc([C@H](C)NCCOc2ncccc2F)c(O)c1C	273528077	VREHLHGGPTXYCK-ZDUSSCGKSA-N	304.365	3.273	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC2CCC1CC2	374497406	QFZHPYANBQULBT-UHFFFAOYSA-N	313.445	3.371	10	20	DGCD	
CC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccc(C)cc1O	280144623	PVYGNYNMLVEWOO-QGZVFWFLSA-N	312.413	3.301	10	20	DGCD	
COCC1(CCNCc2cc(Cl)cc(OC)c2O)CCC1	293529335	BRWRZTVPJAMEIE-UHFFFAOYSA-N	313.825	3.351	10	20	DGCD	
CCC(=O)N1CC[C@@H](N[C@@H](C)c2cc(Cl)cc(C)c2O)C1	808702203	CPPIMRDUHSCWAZ-WCQYABFASA-N	310.825	3.016	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]3C[C@H]32)cc1	806465379	VKPFBJZQYDWIQQ-NVXWUHKLSA-N	301.434	3.227	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2nc3ccccc3s2)cc1	800486903	UDBYQWIFQCXHFC-UHFFFAOYSA-N	311.410	3.292	10	20	DGCD	
COCCOCCCN[C@H](C)c1cc(Cl)cc(C)c1O	808673634	RGUBHPBDMRPTCY-GFCCVEGCSA-N	301.814	3.058	10	20	DGCD	
CO[C@H](C)[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F	811517672	YWZZYKPWJNGQNO-GHMZBOCLSA-N	304.356	3.284	10	20	DGCD	
CC[C@H](NCC(F)(F)CN)c1cc(Cl)cc(Cl)c1O	817967360	GLYCOHKHKXXVIN-JTQLQIEISA-N	313.175	3.334	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)[C@@H](C(=O)O)C(C)C)cc1	819164927	XPLUINFUFHZECB-YOEHRIQHSA-N	306.450	3.368	10	20	DGCD	
CCOC(=O)CN(C/C(Cl)=C\Cl)Cc1ccccc1O	823575958	FQBXHYXSXVBVIG-KPKJPENVSA-N	318.200	3.076	10	20	DGCD	
C[C@@H](NC(=O)CCSCc1ccccn1)c1ccccc1O	827930575	LKJHSPSHRHLNQW-CYBMUJFWSA-N	316.426	3.288	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](c3cccnc3)C2)c1O	829506942	XMRWJDQCIFNSEA-CQSZACIVSA-N	314.360	3.118	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2ccccc2O1	839467787	JBJBGNWRLPFPJZ-LJQANCHMSA-N	324.424	3.105	10	20	DGCD	
Cc1cc(C)c(C(=O)NCCCSc2nccs2)c(C)n1	906668980	CBAFENAZFSQPAF-UHFFFAOYSA-N	321.471	3.376	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)C(=O)c1ccccc1	732750829	FFIAMBJFHZBZAN-HNNXBMFYSA-N	324.424	3.278	10	20	DGCD	
COCCn1ncc2ccc(N[C@@H]3CCc4cccc(O)c43)cc21	834748261	RBZLBGDZXYVRTI-MRXNPFEDSA-N	323.396	3.488	10	20	DGCD	
Cc1ccc(O)c(CNc2ccnc(OCC(F)(F)F)n2)c1	834482688	RQGMSSSKDBNWCW-UHFFFAOYSA-N	313.279	3.044	10	20	DGCD	
CCOCc1cc(CNCC[C@H]2CCCN(C)C2)ccc1OC	839183263	VOPSRTYRDBWUHE-MRXNPFEDSA-N	320.477	3.053	10	20	DGCD	
CCO[C@H]1C[C@H](NCc2cccc(OC)c2O)C12CCCC2	742390949	WKLBOSWZXKEGGJ-HOTGVXAUSA-N	305.418	3.228	10	20	DGCD	
CC[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(C)cc1O	834828371	SINYZIFLFYPPSS-FUHWJXTLSA-N	317.404	3.484	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CC[C@H](C)O1	743415572	GHVXUIPWQCIRPW-YOEHRIQHSA-N	304.434	3.025	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@@H]4OCC[C@@H]4C3)c2c1	842622002	GIGWESMNQXTRSY-KUHUBIRLSA-N	313.397	3.165	10	20	DGCD	
CCCCOC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C	917075118	QMDUGXLOSHNCIT-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
NC[C@@H](NCc1ccc(N2CCCCC2)cc1)C1CCCC1	841087786	PJQIPVKCFCRURC-LJQANCHMSA-N	301.478	3.284	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C	846174860	VATTXWOJJAUFBV-AAEUAGOBSA-N	309.406	3.172	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1cnn2ccccc12	843820287	QKDWHOOSHRQHKF-UHFFFAOYSA-N	323.396	3.021	10	20	DGCD	
Cc1nnc(-c2ccc(NC(=O)c3cc(O)cs3)cc2)o1	743476393	AUAROADSKRYYBM-UHFFFAOYSA-N	301.327	3.064	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nnc(C2CC2)o1	920206522	LWMYPYBMPXQJGX-UHFFFAOYSA-N	314.433	3.424	10	20	DGCD	
O=C(O)[C@H]1CC[C@H](CNCc2c(O)ccc(Cl)c2F)CC1	756299099	CLMGLTKEDOVORB-MGCOHNPYSA-N	315.772	3.165	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CCCC1	850567169	XTFSRFLECJPUHP-OAHLLOKOSA-N	302.462	3.316	10	20	DGCD	
COc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1C	754834071	OBGCPVDONDFZHS-JQHSSLGASA-N	301.430	3.441	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@@H]2CCOC(C)(C)C2)cc1F	858175553	PVZLDTKOTQCTSD-GFCCVEGCSA-N	312.404	3.326	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2Cc3ccccc32)c1	756535842	RUDPWPCKIPNHIK-DOMZBBRYSA-N	311.381	3.169	10	20	DGCD	
Cc1nn(C)cc1[C@H](C)NCc1c(O)cccc1Br	858125695	KXTDOIVWDJSBLY-VIFPVBQESA-N	324.222	3.047	10	20	DGCD	
CC(=O)Nc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	756794445	HTJJGFYYVADCAM-SNVBAGLBSA-N	315.329	3.432	10	20	DGCD	
Cc1ccc(C(=O)OCc2ccn(C3CCCC3)n2)c(O)c1O	763954915	KHFURYQCOOFFRZ-UHFFFAOYSA-N	316.357	3.075	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCC[C@@H]2C(=O)OC)cc1	768216243	UEKAJTYXYMWLNA-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCSCC3)cc2)CS1	876942772	FCQJVCLNDGEROM-HIFRSBDPSA-N	308.516	3.223	10	20	DGCD	
CCCCN1CC(=O)N[C@@H]1c1cc(Cl)c2ccccc2c1O	774546960	JTJCAICZFLYIED-KRWDZBQOSA-N	318.804	3.429	10	20	DGCD	
COc1ccc(OC)c(CCNCc2ccc(C)cc2O)c1	876979101	TVWNWUMBCUKCNT-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
CCN(Cc1nc(O)c2ccccc2n1)Cc1c(C)cccc1O	876532123	YESPUQZAAVLLAR-UHFFFAOYSA-N	323.396	3.372	10	20	DGCD	
CC[C@@H]1C[C@H](C)CN1Cc1ccc(N2CCC(O)CC2)cc1	876748066	ULGVRTPLDXSCOZ-DOTOQJQBSA-N	302.462	3.268	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@@H]2CCC[C@H](C)C2)c1O	774836645	UDDUOTWLWUGDRA-WCQYABFASA-N	308.378	3.320	10	20	DGCD	
CC[C@@H](NC[C@H](COC)OC)c1ccc(Cl)c(Cl)c1O	775546676	KUKFSDHPPNSIOX-BXKDBHETSA-N	322.232	3.401	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1cccnc1)c1ccc(N(C)C)cc1	773621440	YVUKMOOOLFZJAC-AWEZNQCLSA-N	312.417	3.050	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CCc4cccnc43)CC2)cc1	886521149	VXDCBJHIRJOKMV-IBGZPJMESA-N	323.440	3.336	10	20	DGCD	
O=S(=O)(C1CCC1)N(Cc1ccccc1O)C1CCCCC1	881911774	CLIFYZLXYRVBRC-UHFFFAOYSA-N	323.458	3.409	10	20	DGCD	
COc1ccc(NCc2ccc(OC)c(OC)c2O)c(OC)c1	892250721	JUGNGDSSCLWZNQ-UHFFFAOYSA-N	319.357	3.039	10	20	DGCD	
COc1ccc(CN2CCC=C(c3ccco3)C2)c(O)c1OC	894390656	HVQGJXNPOAPSJP-UHFFFAOYSA-N	315.369	3.292	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H]2CCOC3(CCC3)C2)c1O	894894145	DEPAIYKLMZZXFP-CQSZACIVSA-N	305.418	3.148	10	20	DGCD	
Cc1cccc(O)c1CNc1cccc([C@]2(C)COC(=O)N2)c1	895637317	IGFFCXOEGUJAOQ-SFHVURJKSA-N	312.369	3.268	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2CCCC23CCOCC3)c1O	894667479	NHEILTLTFYRWCM-INIZCTEOSA-N	305.418	3.148	10	20	DGCD	
CC[C@@H](NC1CCN(C(=O)C2CC2)CC1)c1ccc(C)cc1O	794797867	QNCIAEFSXDGYHU-QGZVFWFLSA-N	316.445	3.142	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	796318287	AHHXCGOWOHJBJS-YPMHNXCESA-N	306.358	3.040	10	20	DGCD	
CC(C)(CNC(=O)c1c(F)ccc(O)c1O)c1cccc(F)c1	790071512	VZINBPYHMQNMBB-UHFFFAOYSA-N	321.323	3.084	10	20	DGCD	
Nc1ccc(CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1	1336285354	KLHLLEFPLZLZCN-IBGZPJMESA-N	321.424	3.217	10	20	DGCD	
C[C@H](CO)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1261509646	YPLNBEXVTHEFBK-MRXNPFEDSA-N	302.462	3.127	10	20	DGCD	
COc1ccc(CN(C)CCc2cccs2)c(O)c1OC	1262357195	CCDNXJGLLHFOFG-UHFFFAOYSA-N	307.415	3.145	10	20	DGCD	
O=C(O)C1(NCc2ccc3c(c2)CCCO3)C[C@H]2CC[C@@H](C2)C1	1777600209	WCMPDQJBZIPHGR-KBPBESRZSA-N	315.413	3.135	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@H]32)cc1C	1776821588	NOCXDMNLDAZCMI-MWDXBVQZSA-N	317.429	3.373	10	20	DGCD	
CC[C@@H]1COCCN1Cc1cc(OC)cc(C(C)(C)C)c1O	164359458	UERIYNFNYOZCMI-CQSZACIVSA-N	307.434	3.309	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCC(C2OCCO2)CC1	152280940	NSZTVZWNKXHCED-UHFFFAOYSA-N	313.397	3.130	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2CC[C@@H](SC)C2)c1O	230934991	QHPLAPLMDYHWSZ-VXGBXAGGSA-N	301.839	3.428	10	20	DGCD	
Cc1cc(CNCc2cccc(Br)c2O)sn1	404397362	SWXJPTHJPXFURL-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
C[C@@H]1C[C@H](CNCc2cccc(Br)c2O)CCO1	388683369	ISFRGNWGMVMELF-GHMZBOCLSA-N	314.223	3.059	10	20	DGCD	
C[C@H](Cc1ccco1)NCc1cccc(Br)c1O	42412004	ZSFBLSDZBVYBJJ-SNVBAGLBSA-N	310.191	3.469	10	20	DGCD	
CCCCOCCCNCc1cc(Br)ccc1O	76275385	NRWYBJJAMRDCTI-UHFFFAOYSA-N	316.239	3.451	10	20	DGCD	
CCC[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1	93508408	GJDZUQVPRQACDP-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
Cc1nc(C2(NCc3ccc(N(C)C)c(F)c3)CCCC2)no1	113332005	UNJIVEASLGGGLO-UHFFFAOYSA-N	318.396	3.142	10	20	DGCD	
Cc1cc(O)c(CN2CCN(CC(F)(F)F)[C@H](C)C2)cc1C	134835048	XUYOHLUAQUPIFE-CYBMUJFWSA-N	316.367	3.077	10	20	DGCD	
CCCc1ncc(C(=O)NCc2ccc(N(C)C)cc2)s1	172697047	XPPALNCRTDOZHN-UHFFFAOYSA-N	303.431	3.092	10	20	DGCD	
Cc1ncsc1/C=C1\SC(=S)N(c2cccnc2)C1=O	172815381	YOIUXXJCDHGRPD-WZUFQYTHSA-N	319.436	3.252	10	20	DGCD	
CCCN(CC(=O)N1CCCC[C@@H]1C)Cc1ccccc1O	174371762	FWGHMBSKRVDIAR-HNNXBMFYSA-N	304.434	3.005	10	20	DGCD	
C[C@H](NCc1nnc2n1CCCCC2)c1cc(Cl)ccc1O	184877586	XZVZJPXSDJLOFQ-NSHDSACASA-N	320.824	3.214	10	20	DGCD	
CO[C@H](C)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C	189105360	LUNDSFOPOFWOSH-CQSZACIVSA-N	300.402	3.167	10	20	DGCD	
CN(C)C(=O)[C@@H]1CCCN1Cc1cc(-c2ccccc2)ccc1O	271052369	WXGVUAAPHNVGAQ-SFHVURJKSA-N	324.424	3.112	10	20	DGCD	
Fc1cc(CN[C@@H]2CCC23CCC3)ccc1N1CCOCC1	282427411	YVQCRAXJHYYRTG-QGZVFWFLSA-N	304.409	3.085	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCOC[C@@H]2CCCO2)c(O)c1	293630677	HNORCKDQGKGDFM-HOTGVXAUSA-N	307.434	3.245	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H](CO)c2ccccc21	354044467	ITZXIKWVMZGVOB-ZQMJAJRESA-N	310.353	3.204	10	20	DGCD	
CC[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1O	367602264	SFFAQBSMZAUJMB-JQHSSLGASA-N	301.361	3.230	10	20	DGCD	
Cc1cocc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	528881709	JJHWIWAMANUNSE-OAHLLOKOSA-N	315.369	3.115	10	20	DGCD	
CO[C@H](C)CCNC(=O)c1sccc1-n1c(C)ccc1C	726547827	GLBLHNVGKCTZGI-CYBMUJFWSA-N	306.431	3.310	10	20	DGCD	
CCN(CCNCc1ccc(OC)c(C)c1)CCC(F)(F)F	755220859	UEXKVGYMODLHAN-UHFFFAOYSA-N	318.383	3.368	10	20	DGCD	
C[C@H](NC[C@@H](Cc1ccccc1)N(C)C)c1ccc(F)cc1O	756340347	DWWUSEKJJQTFQI-WMLDXEAASA-N	316.420	3.355	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2CCc3cc(O)ccc3C2)c1	767729939	WZLIVKXXHZXOLY-MRXNPFEDSA-N	313.397	3.144	10	20	DGCD	
C[C@H](CN(C)Cc1cc2c(cc1O)OC[C@@H]2O)c1ccccc1	768449039	DARQYBBEQLIJHF-ACJLOTCBSA-N	313.397	3.054	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cccnn2)c1	768578637	HFUKRVKDQDLCCQ-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
COCCN(CCc1ccccc1)Cc1cccc(OC)c1O	768587439	XARVEVGFURDBQW-UHFFFAOYSA-N	315.413	3.092	10	20	DGCD	
COc1cccc(O)c1CN(Cc1ccco1)C[C@@H]1CCCO1	769044432	HGVCAEYAVOVZOX-HNNXBMFYSA-N	317.385	3.175	10	20	DGCD	
COc1ccc(CNCCc2nn(C)c3ccccc23)cc1C	775319097	NBNZWQHLXOSURL-UHFFFAOYSA-N	309.413	3.223	10	20	DGCD	
CCOc1ccc(CN[C@H]2CCCO[C@@H]2CC(C)C)c(O)c1	775371636	OPBCTTPEDSRACZ-FUHWJXTLSA-N	307.434	3.474	10	20	DGCD	
C[C@H]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1	780360689	ZWOTWMDSKQATKA-XJKSGUPXSA-N	301.434	3.057	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC(C)(c3nc(C)no3)CC2)c1	781151133	YBZHGOSFQXAHRJ-UHFFFAOYSA-N	315.417	3.254	10	20	DGCD	
C[C@H](NCCC[C@@H](C)CO)c1cccc(C(F)(F)F)c1O	788685104	GQCUBBBQKHNXEU-MNOVXSKESA-N	305.340	3.470	10	20	DGCD	
CCCOc1ccc(CNC(=O)c2cc(O)cs2)c(C)c1	789918674	QMMMKUHQPLMEMZ-UHFFFAOYSA-N	305.399	3.481	10	20	DGCD	
COc1cccc(CNC(=O)c2scc(C)c2Cl)c1O	790788393	VWAKOUABNVOGRB-UHFFFAOYSA-N	311.790	3.354	10	20	DGCD	
Cn1ncc2ccc(CNCc3cccc(Cl)c3O)cc21	812771251	MKGAWXUMOQAOSV-UHFFFAOYSA-N	301.777	3.222	10	20	DGCD	
C[C@@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@H]1C	817944434	BWGQGGMSHLCXJE-VXGBXAGGSA-N	315.442	3.044	10	20	DGCD	
O=C(N[C@H]1C=CCC1)N(Cc1ccco1)Cc1ccccc1O	821085183	CSYAXNCDACKNDX-HNNXBMFYSA-N	312.369	3.416	10	20	DGCD	
Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](C)c1ccccc1O	827930386	IUOZXBSDQXJYFZ-SECBINFHSA-N	323.343	3.021	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](C)[C@](C)(OC)C2CC2)c1O	840960912	NUFOFFIVFBKRLX-QFYYESIMSA-N	313.825	3.347	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCCCOC)cc1	841583601	VCFGLQSDLXRSGM-UHFFFAOYSA-N	321.465	3.101	10	20	DGCD	
CCNCC1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	843352576	NVRPGNDOJWAQQV-UHFFFAOYSA-N	324.852	3.070	10	20	DGCD	
CCc1cccc(CNCc2ccc(N(CC)CC)nc2)c1O	848892779	GWCXWAJTEDDUQB-UHFFFAOYSA-N	313.445	3.486	10	20	DGCD	
COCC(C)(C)CNCc1cc(OC)cc(C(C)(C)C)c1O	850306219	DVMMQJUZUDIPKZ-UHFFFAOYSA-N	309.450	3.461	10	20	DGCD	
CCOCc1cc(CN[C@@H]2CCN(C(C)(C)C)C2)ccc1OC	850350991	JOOSHVGNPCJIBP-QGZVFWFLSA-N	320.477	3.194	10	20	DGCD	
CC[C@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(F)cc1O	850553886	ALMHKVAQDNCQKW-WFASDCNBSA-N	322.424	3.219	10	20	DGCD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NCCc2ccc(N)cc2)cc1C	851631986	IRHVIHTYHCOBMR-RBUKOAKNSA-N	308.425	3.348	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN(CC2CC2)C1)c1cc(F)cc(F)c1O	853242056	ZUPRWVGLYZETHW-OCCSQVGLSA-N	324.415	3.443	10	20	DGCD	
CCC[C@@H](OCC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	862002692	VPSFOSGVELFPLM-MAUKXSAKSA-N	320.477	3.313	10	20	DGCD	
O=[N+]([O-])c1cc(CN2C[C@H]3C[C@H]3C2)ccc1N1CCCCC1	862440646	JLYGGDRIUNZPAR-GASCZTMLSA-N	301.390	3.037	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2CCSC2)c(C)n1-c1ccccc1	863165540	DRQDZCMSJGAHDE-OAHLLOKOSA-N	314.454	3.463	10	20	DGCD	
Cc1cccc(O)c1CNCc1cccc(CN2CCCC2=O)c1	876930121	LSFBMCGOAIBHEP-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)N(C)c1ccc(N)cc1	877080940	RVRKLSPOADGVTG-UHFFFAOYSA-N	300.406	3.114	10	20	DGCD	
C=Cc1ccc(CCNCc2ccc(OC)c(OC)c2O)cc1	894564598	TYJDYPARHHBBQI-UHFFFAOYSA-N	313.397	3.385	10	20	DGCD	
CCN(CC)c1ccc(CNCc2nc(C(F)F)no2)cc1	895729448	PMENYCKFYNBHRA-UHFFFAOYSA-N	310.348	3.143	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CSCc1ccc(F)cc1	917307353	JQLCZHOKXLNDLD-UHFFFAOYSA-N	319.401	3.423	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNc2cnn(C3CCCC3)c2)c1	922624953	FPSNKBLEKCHDSG-UHFFFAOYSA-N	302.334	3.224	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCC3(CCNCC3)C2)cc1	1204727529	CADQCZIWOUQINK-UHFFFAOYSA-N	315.505	3.498	10	20	DGCD	
CSC1(CNCc2cc(F)c(N(C)C)cc2F)CCC1	1261788804	JSILSGLFQVYRTK-UHFFFAOYSA-N	300.418	3.406	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CN(C2CC2)C[C@H]1C	1320411749	SZMYEUKPIFDJQU-LUYZLQTOSA-N	300.446	3.321	10	20	DGCD	
CCCCNC(=O)c1ccc(CNCc2ccc(N)cc2)cc1	1577461715	OPLQGGGNVBLDFJ-UHFFFAOYSA-N	311.429	3.089	10	20	DGCD	
O=C(O)c1ccc(CNCc2cc(Cl)c(F)cc2O)cc1	1595230529	LCQOQSMWCRXDOG-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
CC(C)CN(CCC(=O)O)Cc1c(O)ccc(Cl)c1F	1609698607	AFPCUDPLSLCMKZ-UHFFFAOYSA-N	303.761	3.117	10	20	DGCD	
Cc1ccc(NC(=S)NNc2ccc(C(=O)O)cc2)cc1	7521958	DFIGOMVQCNYCLN-UHFFFAOYSA-N	301.371	3.007	10	20	DGCD	
Cc1ccc(C)c(NS(=O)(=O)c2cccc3nsnc23)c1	14255386	TXEUFWGUXYASBJ-UHFFFAOYSA-N	319.411	3.109	10	20	DGCD	
C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(N2CCOCC2)cc1	68513639	QICPPHGUFZENJQ-GJZGRUSLSA-N	316.445	3.137	10	20	DGCD	
CCS[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C	104900729	GLJMYYILDODKHN-IAQYHMDHSA-N	311.447	3.356	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)C(F)(F)F)cc2)CC1	108295939	FECPOHIKZFDYNA-UHFFFAOYSA-N	300.324	3.101	10	20	DGCD	
CC[C@H](CC1CCCC1)C(=O)NCCc1ccc(O)c(O)c1	122285786	RVBJHDFFNYKVSP-OAHLLOKOSA-N	305.418	3.363	10	20	DGCD	
COc1cc(O)c(CN2CCS[C@H]3CCCC[C@@H]32)cc1OC	160383072	IVZFWFNBTRBSSD-GUYCJALGSA-N	323.458	3.269	10	20	DGCD	
CC1(C)CCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	176513375	IHBDOTNRSYYINT-KRWDZBQOSA-N	313.445	3.441	10	20	DGCD	
COCCN(Cc1ccc(C#N)cc1)Cc1cccc(C)c1O	179741920	UXHHNXAEHJJWSC-UHFFFAOYSA-N	310.397	3.221	10	20	DGCD	
Oc1ccc(F)cc1CN(CCc1ccccc1)[C@@H]1CCOC1	180262103	MHTUJGJGDLNYOM-GOSISDBHSA-N	315.388	3.365	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cc(C#N)ccc2F)c1	182315269	VBYBSJZUEWSOHN-LLVKDONJSA-N	300.333	3.262	10	20	DGCD	
C[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1cc(F)ccc1O	192691139	NZWSQZBVPWHDDZ-MNOVXSKESA-N	312.385	3.095	10	20	DGCD	
CN(C)c1ccc(CNC(=O)/C=C\SCc2ccco2)cc1	255218394	CNVBKHIYKXCPBF-LUAWRHEFSA-N	316.426	3.409	10	20	DGCD	
CC(C(=O)NCc1ccc(N2CCOCC2)cc1)=C1CCCC1	267826911	BOKIHVJOTOOQRO-UHFFFAOYSA-N	314.429	3.030	10	20	DGCD	
COCCC1(CN[C@@H](C)c2cc(C(=O)OC)ccc2O)CCC1	273556271	GXAQBDABHVNFIY-ZDUSSCGKSA-N	321.417	3.036	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)cn1	279066341	LJGJOJALNHPAAI-CYBMUJFWSA-N	313.401	3.213	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](c1ccccc1)C1CC1	294405345	FCTYYTASVCOVGE-ZBZNSMLMSA-N	323.392	3.421	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cnn(CC(F)F)c1	294827643	GUDRETDOKQNWKK-UHFFFAOYSA-N	322.403	3.236	10	20	DGCD	
CN(C)[C@H](CN[C@@H]1CCc2cccc(O)c21)c1cccs1	295992086	NTQKXIJTGTXCKK-ZIAGYGMSSA-N	302.443	3.334	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NCc2ccoc2)C2CC2)cc1	298863559	DGIFLRAIXMWZTM-UHFFFAOYSA-N	313.401	3.220	10	20	DGCD	
CC1(C)CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1	315511374	DTLMUBRHLULNDY-XQRVVYSFSA-N	304.346	3.319	10	20	DGCD	
CCn1nccc1NC(=O)NCc1c(C)c2ccccc2n1C	346924229	YBZDSNODEWAVPB-UHFFFAOYSA-N	311.389	3.025	10	20	DGCD	
COc1cccc([C@@H](CN[C@@H]2CCc3cccc(O)c32)OC)c1	527924355	GUAROTVBRGQKJW-SJLPKXTDSA-N	313.397	3.365	10	20	DGCD	
Oc1cc(Br)ccc1CN[C@@H]1CCC(F)(F)C1	701057627	NKRWFKIQQNHPDA-SNVBAGLBSA-N	306.150	3.432	10	20	DGCD	
CCOC(=O)[C@H](C)OC(=O)c1sccc1-n1c(C)ccc1C	725928294	VLJKJEJINXSGNF-LBPRGKRZSA-N	321.398	3.264	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2ccc(Cl)nc2)cc1	732410515	CSKJIVDJDZFTEB-UHFFFAOYSA-N	319.836	3.312	10	20	DGCD	
COc1ccc(O)c(CNC(=S)Nc2ccc(C)cc2)c1	733907183	UXJFCMHNOXJWJA-UHFFFAOYSA-N	302.399	3.196	10	20	DGCD	
C[C@@H]1CSCCN1Cc1c(O)c(C(=O)O)cc2ccccc12	736825986	PGRRQIXLFICHKW-LLVKDONJSA-N	317.410	3.181	10	20	DGCD	
CCN(CCc1cccs1)Cc1cc2c(cc1O)OCO2	746070211	HUPPXVQXPNZYEU-UHFFFAOYSA-N	305.399	3.247	10	20	DGCD	
Cc1ccc(C(=O)NCC(C)(C)c2cccc(F)c2)c(O)c1O	751538455	OYCMCIOWLUIAQJ-UHFFFAOYSA-N	317.360	3.253	10	20	DGCD	
CCc1nc(CN(C)Cc2cc(C)cc(OC)c2O)cs1	754723849	XAAHGONOSNAIMK-UHFFFAOYSA-N	306.431	3.360	10	20	DGCD	
C[C@H](N[C@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1O	756713024	SNGYICKWAUVLAZ-BJOHPYRUSA-N	311.303	3.194	10	20	DGCD	
COc1cc(CN2CCCC3(CCOCC3)C2)c(O)cc1C	768466225	PLAZXSFFBKJUHQ-UHFFFAOYSA-N	305.418	3.102	10	20	DGCD	
Cc1ccc(O)c(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)c1	769461812	WVMFHDOZGIQROK-SFHVURJKSA-N	324.424	3.328	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1cccc2cccnc12	772773104	BISXZQZEZAUBFR-CLFYSBASSA-N	321.332	3.403	10	20	DGCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)c1ccc(N(C)C)cc1	775402568	HFWAMNOHLBZFON-YGLIYXGISA-N	310.397	3.349	10	20	DGCD	
C[C@H]1[C@@H](C)N(C)CCN1Cc1cc(Cl)cc(Cl)c1O	775985869	PJMCRFVZSWVEIK-ZJUUUORDSA-N	303.233	3.223	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc(-c2ncco2)cc1	777609348	NRHWEKZVAVVROX-UHFFFAOYSA-N	309.325	3.369	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1CCN(C2CC2)c2ccccc21	778258434	JFDWGZBOSDJZKJ-RMKNXTFCSA-N	319.408	3.419	10	20	DGCD	
CC[C@](C)(CCO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	778433217	JJYBXYWZSGXPAC-LJQANCHMSA-N	314.429	3.375	10	20	DGCD	
CCN(CC)CCCC1CCN(C(=O)c2cc(O)cs2)CC1	782877739	GSXXBKSRRXRXGC-UHFFFAOYSA-N	324.490	3.428	10	20	DGCD	
COC(=O)[C@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)[C@@H]1C	787245158	ZWOMSXYIKWKIQS-HIFRSBDPSA-N	305.418	3.207	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CCC3(CCCCC3)O2)c1	790995339	NQBOYHQXZUPFNY-OAHLLOKOSA-N	320.389	3.272	10	20	DGCD	
Cc1ccc(CCCNCc2ccc(N(C)C)c(F)c2)cn1	792938915	GXOXESXHLQYQKC-UHFFFAOYSA-N	301.409	3.318	10	20	DGCD	
CN(C)c1ccc(CN[C@]2(C)CCCOC2)c(C(F)(F)F)c1	793060305	YGAWTWOERSFGEG-OAHLLOKOSA-N	316.367	3.430	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H]2CCOC[C@H]2C)cc1F	796497491	LOIWQBXJYDUQRM-GDBMZVCRSA-N	308.441	3.434	10	20	DGCD	
CCc1ccccc1NC(=O)NCc1ccc(OC)cc1O	797608665	VFLULCSMGUONTP-UHFFFAOYSA-N	300.358	3.285	10	20	DGCD	
CCOc1ccc(O)c(CNCCC2C[C@H](C)O[C@@H](C)C2)c1	801732834	YTOIESKLKOLEHW-KBPBESRZSA-N	307.434	3.474	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ccc(COCCO)cc2)c1	818362608	YKLNRXKJXWIGDU-CYBMUJFWSA-N	317.385	3.083	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NOCC1CCC1	824021959	FTRSEPXYPVBVQH-UHFFFAOYSA-N	305.422	3.016	10	20	DGCD	
CO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(N2CCCCCC2)cc1	842908468	NDDUKHJIOKNXHU-KFKAGJAMSA-N	318.461	3.131	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1O	846143615	JWOGBGDGYNTWBL-JONQDZQNSA-N	320.477	3.418	10	20	DGCD	
COC[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)C1CC1	850222406	XLEFSYANJPQNRB-MRXNPFEDSA-N	307.434	3.213	10	20	DGCD	
COc1cc(CNC[C@@H](CO)C(C)C)c(O)c(C(C)(C)C)c1	850298184	TYNABHPYSSBTAF-AWEZNQCLSA-N	309.450	3.052	10	20	DGCD	
COc1cc(CNCc2cnc(C)o2)c(O)c(C(C)(C)C)c1	850323100	DKRPVFRYPUZWRC-UHFFFAOYSA-N	304.390	3.285	10	20	DGCD	
COc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)sn1	851732474	RHVPNGNOMVKWMO-UHFFFAOYSA-N	317.458	3.382	10	20	DGCD	
Oc1ccccc1CN(Cc1ccns1)C[C@H]1CCCO1	876532069	XOGSGFIRORYMIG-CQSZACIVSA-N	304.415	3.030	10	20	DGCD	
COc1cc(OC)c(OC)cc1NCc1c(C)cccc1O	876867873	ONUMILAFXWTOPF-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCOC(C2CC2)(C2CC2)C1	895327391	NCZKDWLJTXNHNN-UHFFFAOYSA-N	309.356	3.061	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1cnn(CC2CCC2)c1	897430715	ZIGRHEIRTALUPF-UHFFFAOYSA-N	323.799	3.471	10	20	DGCD	
O=C(O)C[C@H](NCc1c(O)ccc(Cl)c1F)C1CCCC1	904041563	SNOLGWVEJAZFPL-LBPRGKRZSA-N	315.772	3.308	10	20	DGCD	
CCc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1CC	1319819033	KYQUCSFAIXSJAP-UHFFFAOYSA-N	313.397	3.195	10	20	DGCD	
O=C1NCCc2c(NCc3ccc(N4CCCC4)cc3)cccc21	1327395025	PKWCBZGRTCHXGB-UHFFFAOYSA-N	321.424	3.185	10	20	DGCD	
CN(C)c1cccc(NCc2cc(F)c(N(C)C)cc2F)n1	1335483676	LIPBTOXNAXQXQJ-UHFFFAOYSA-N	306.360	3.104	10	20	DGCD	
Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N)cc1)CCC2	1335664827	GGJNUJNRSYWZDA-SFHVURJKSA-N	309.413	3.454	10	20	DGCD	
O=C(Nc1nc(-c2cccs2)ns1)c1cc(O)cs1	1528204888	BSNYCGWBTOYHLN-UHFFFAOYSA-N	309.397	3.286	10	20	DGCD	
Cc1cccc(OCCN[C@@H](C)c2cc(C(=O)O)ccc2O)c1	1600546270	DHFBXZLTEOLGQI-ZDUSSCGKSA-N	315.369	3.128	10	20	DGCD	
COc1cc(CNCCCCCC(=O)O)c(O)c(C(C)(C)C)c1	1607164095	OFJAAPHORPQIKM-UHFFFAOYSA-N	323.433	3.433	10	20	DGCD	
Cc1c(C(=O)O)cc(CNCc2cc(C(C)C)ccc2O)n1C	1607516547	APOFWBCGQSNDGQ-UHFFFAOYSA-N	316.401	3.151	10	20	DGCD	
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1cc(Br)cc(F)c1O	1663302505	RHXVKNRCSPSLOW-DRYIUFOISA-N	314.198	3.428	10	20	DGCD	
CCN(C)c1ccc(CN[C@]2(C)CCC[C@@H]2C(=O)O)c(C)c1	1776856482	UUGSDUZYTZJWKK-SJLPKXTDSA-N	304.434	3.184	10	20	DGCD	
O=C(O)[C@H]1CC=CC[C@H]1NCc1cc(Cl)cc(Cl)c1O	1777659814	DZFOEOBTSRRCOG-CMPLNLGQSA-N	316.184	3.208	10	20	DGCD	
CCOc1ccc(CC(=O)NCc2ccc(N(C)C)cc2)cc1	15134721	LXMVMRATPBRVKD-UHFFFAOYSA-N	312.413	3.010	10	20	DGCD	
O=C(NC1CC1)[C@H](Sc1nccs1)c1ccc(F)cc1	64661501	XEQBKZFFMMTYFH-GFCCVEGCSA-N	308.403	3.394	10	20	DGCD	
C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1	90802184	IETGWHRXZMDIKR-WBVHZDCISA-N	310.445	3.077	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](N3CCCC3)CC2)cc1F	129209967	OHDGHQDPSOXACX-KRWDZBQOSA-N	319.468	3.342	10	20	DGCD	
CC[C@H](CCO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	152101650	DNSNPDYFFCSNKO-OAHLLOKOSA-N	318.392	3.124	10	20	DGCD	
C[C@@H](N[C@H](C)c1cncs1)c1ccc(N2CCOCC2)cc1	155303961	KMENGOQLUMQJMJ-ZIAGYGMSSA-N	317.458	3.392	10	20	DGCD	
Nc1ccc(CC(=O)Nc2cccc(N3CCCCC3)c2)cc1	165874033	TVZMQYIUZBNFTL-UHFFFAOYSA-N	309.413	3.440	10	20	DGCD	
CC(C)c1csc(CNC(=O)/C=C/c2ccc(O)c(O)c2)n1	181212043	HKAUCFUHXZQXLF-GQCTYLIASA-N	318.398	3.007	10	20	DGCD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(N)cc1	236715526	AVVSSDBJZBOBPO-LJQANCHMSA-N	310.441	3.442	10	20	DGCD	
CCCN1Cc2cccc(NC(=O)Cc3ccc(N)cc3)c2C1	236812189	RQWLDQCSFDOHSG-UHFFFAOYSA-N	309.413	3.176	10	20	DGCD	
CC(C)(C)c1ccc(C(=O)NCc2ccc(O)c(O)c2)s1	272349918	QONUKVNHRJNYKG-UHFFFAOYSA-N	305.399	3.387	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cnc([C@H](C)O)s1	278989739	QFFMXEUGDSECKF-ZDUSSCGKSA-N	319.474	3.285	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H]2[C@@H]2CCCO2)c1O	284927532	GTQSVGNZBHWHMR-KBPBESRZSA-N	311.809	3.198	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ocnc2C2CC2)cc1	288917041	RTOHKAYPBSQJEN-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
CC[C@H]1CCCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	314234276	HEEWRULQICNMSA-JWJUJFCLSA-N	304.346	3.462	10	20	DGCD	
O=C(O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O	315901359	NIACTNSDRCKMHC-HNNXBMFYSA-N	317.772	3.057	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2C[C@H]3CC=CC[C@H]3C2)c([N+](=O)[O-])c1	324448590	KEDSGNFFAINCIQ-IRQMKAKQSA-N	314.341	3.095	10	20	DGCD	
COc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)cc1	348671285	WMGOTRGOGHRBSE-UHFFFAOYSA-N	308.381	3.425	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CCCOCC2)c1	368850362	POQRBVNVEIIKSE-UHFFFAOYSA-N	312.413	3.265	10	20	DGCD	
CC[C@@]1(C)CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	399771240	SMAGZTXKHKYOSL-YERXGYGTSA-N	304.346	3.319	10	20	DGCD	
Cc1ccc(N(C)C(=O)/C=C\c2cnc(C(C)(C)C)s2)nn1	493755440	MYLGEJQSUGVSLN-CLFYSBASSA-N	316.430	3.215	10	20	DGCD	
C[C@H]1C[C@@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C1	740906142	AMGQYMLMQSEYIH-LSDHHAIUSA-N	301.434	3.227	10	20	DGCD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1ccccc1O	743328382	SRIFVBUWUBWWOZ-QRTARXTBSA-N	305.418	3.382	10	20	DGCD	
CS[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C	752879348	XRJNPDHHMUWICK-IZPAUZPXSA-N	309.431	3.005	10	20	DGCD	
COCC[C@@H](Cc1ccco1)NCc1cccc(Cl)c1O	753567569	AVZXHWXHOSIJRX-ZDUSSCGKSA-N	309.793	3.376	10	20	DGCD	
CCOc1ccc(CN2CCC([C@@H]3CCOC3)CC2)c(O)c1	753576266	QJVIRUYHKBATGX-MRXNPFEDSA-N	305.418	3.039	10	20	DGCD	
CN(C)c1cccc(CNC(=S)Nc2ccc(Cl)cc2)n1	754691643	IFTIOCKBCXOLLT-UHFFFAOYSA-N	320.849	3.288	10	20	DGCD	
COc1cc(CN2CCCOC[C@H]2C)c(O)c(C(C)(C)C)c1	754739469	CCXXLOPEPFOHDP-CYBMUJFWSA-N	307.434	3.309	10	20	DGCD	
Oc1ccccc1CN(CCN1CCCC1)Cc1ccco1	756319858	QKVMKDLZUAFCKE-UHFFFAOYSA-N	300.402	3.083	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1O	756344181	RPRBBTGQZMJEMQ-VIFPVBQESA-N	307.296	3.250	10	20	DGCD	
C[C@@H](Cn1cccn1)N[C@@H](C)c1ccc(Br)cc1O	756671260	FXZAPFUSBOUYFN-QWRGUYRKSA-N	324.222	3.091	10	20	DGCD	
Cc1cc(C(=O)OCCOCC(C)C)c(C)n1-c1ccccn1	759722191	IRMIIVCOLJZORA-UHFFFAOYSA-N	316.401	3.319	10	20	DGCD	
CCC(CC)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	760997482	KJGWEJQJLDZBEK-UHFFFAOYSA-N	324.808	3.246	10	20	DGCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)NC2(CCCCC2)C1=O	761578795	LDWQBTHWOBHRCD-ZDUSSCGKSA-N	315.417	3.068	10	20	DGCD	
CC1(C)CN(Cc2cc(Br)ccc2O)CCS1	769449086	XGZFNSFNAIRMEA-UHFFFAOYSA-N	316.264	3.482	10	20	DGCD	
Oc1c(Cl)cccc1CNC1CCN(CC(F)(F)F)CC1	776174662	RHZXUOAEPAVZQL-UHFFFAOYSA-N	322.758	3.162	10	20	DGCD	
C[C@@H](Cc1cccc(O)c1)NCc1ccc(N(C)C)c(F)c1	776175421	ZHHSBBQIYRAUNE-ZDUSSCGKSA-N	302.393	3.318	10	20	DGCD	
C[C@H](NC[C@@H]1CCC=CO1)c1ccc(Br)cc1O	783309462	JHLOJHRZLUHTQE-JQWIXIFHSA-N	312.207	3.498	10	20	DGCD	
COC(=O)[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccsc1	788400636	MGKCEINKKODTQA-MLGOLLRUSA-N	318.442	3.379	10	20	DGCD	
CO[C@@H](C)CN(C)Cc1c(O)ccc2oc3c(c12)CCCC3	795752494	TVPBNMLAICPNBZ-LBPRGKRZSA-N	303.402	3.484	10	20	DGCD	
CSc1cccc(F)c1CNCc1cc([N+](=O)[O-])ccc1O	796447774	GEQSAZDKCWTCHV-UHFFFAOYSA-N	322.361	3.451	10	20	DGCD	
CC(C)CN(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	797442566	CXOUDBGYFJYTEM-UHFFFAOYSA-N	303.450	3.425	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)c2nncn2C)cc1	805361824	JMFVGTFFBAHZKX-CQSZACIVSA-N	324.384	3.141	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4OC)cc1	809698093	VTCQPKOGIVFTNN-ORFRNNEJSA-N	314.473	3.388	10	20	DGCD	
COc1ccc(O)c(CNc2cncc(-c3ccccc3)n2)c1	811806421	VWZUTQYPKFOOCC-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
CSC1(CN[C@@H](C)c2c(C)cc(C)cc2O)CCN(C)CC1	815627799	JZXJSBQMZNMFMK-HNNXBMFYSA-N	322.518	3.487	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@H](CC)c1ccc(N(C)C)cc1	815633260	KAZCLFSISZWXEV-CRAIPNDOSA-N	319.493	3.346	10	20	DGCD	
CN1CCC[C@@]2(CCN(Cc3c(O)ccc4ccccc34)C2)C1	816642239	ULGJZPMZZLYIGS-HXUWFJFHSA-N	310.441	3.463	10	20	DGCD	
Cc1c(NCc2cc3c(cc2O)OCO3)cccc1N(C)C	817405829	JTPBFTPEPHFBOO-UHFFFAOYSA-N	300.358	3.107	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H](CC(=O)O)C2)c1	817818115	DFZZLLJOUYFWPU-LBPRGKRZSA-N	321.417	3.082	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C)C[C@@H](C(=O)O)C2)cc1	817881737	NWQJVHQESOYSDF-GOEBONIOSA-N	304.434	3.075	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](O)CC(F)(F)F)cc1F	819043064	QQSIJPFGYXXQAY-GFCCVEGCSA-N	322.346	3.075	10	20	DGCD	
Cc1cccc(OC[C@H](O)CNc2ccccc2OCCF)c1	819488166	KGYWQZFVSGYTFS-OAHLLOKOSA-N	319.376	3.195	10	20	DGCD	
COc1cccc(CNC[C@](C)(OC)c2ccccc2)c1O	824780476	QDCOJXWDKYGQGC-SFHVURJKSA-N	301.386	3.052	10	20	DGCD	
COc1cc(CN(CCCCO)C2CC2)c(O)c(C(C)(C)C)c1	824801665	DQGZLIQDZIJVTG-UHFFFAOYSA-N	321.461	3.435	10	20	DGCD	
COc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1C	827955435	IDMVRKPILGOHSZ-UHFFFAOYSA-N	312.413	3.308	10	20	DGCD	
Nc1ccc(CC(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc1	831998423	KTFGNWKMLSMVRZ-ZDUSSCGKSA-N	316.351	3.106	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(C)nn2)cc1F	840896936	MGDIPHZGFLVVMG-UHFFFAOYSA-N	302.397	3.060	10	20	DGCD	
C[C@@H](Cc1ccsc1)NC[C@@H](N)c1ccc(N(C)C)cc1	841044747	FKMSMFDWWMHEBS-SUMWQHHRSA-N	303.475	3.035	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@H]1CNC(=O)C1	851879878	QDBAUNMQBUSBRV-HZPDHXFCSA-N	324.424	3.092	10	20	DGCD	
CCc1cccc(CNC[C@@H](OC)c2cccc(OC)c2)c1O	862433158	CNCZANIYIGNRMO-GOSISDBHSA-N	315.413	3.441	10	20	DGCD	
CCOc1ccc(CNc2nnc([C@@H]3CCCO3)s2)c(O)c1	865295271	BAAQKUTXTYIBHM-ZDUSSCGKSA-N	321.402	3.106	10	20	DGCD	
Cc1noc2nc(C3CC3)cc(C(=O)N(C)c3ccc(N)cc3)c12	877080754	OPRZNFZBFNCJRT-UHFFFAOYSA-N	322.368	3.267	10	20	DGCD	
Cc1ccc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(O)c1	877458978	DHRXFDMUEILYNS-ZFWWWQNUSA-N	317.351	3.274	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ccc(Cl)nn1	877591754	HWGUYRNQCYIEFY-ZDUSSCGKSA-N	318.852	3.225	10	20	DGCD	
CC1(C)N[C@@H](c2cc(F)ccc2O)N(CC2CCCCC2)C1=O	877857506	SMSOETJEPJIBFN-MRXNPFEDSA-N	320.408	3.321	10	20	DGCD	
C[C@@H](NCC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1O	879648121	ZAFJIQYJEYZTQL-INMHGKMJSA-N	316.445	3.224	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)[C@H](O)c2cccc(F)c2)c1O	894325514	JGPWIGUISQQZJC-SJCJKPOMSA-N	319.376	3.060	10	20	DGCD	
CCN(CC)c1ccc(CN(CCC(=O)O)CC2CC2)cc1F	901613107	OKIZIHSZDFZDEN-UHFFFAOYSA-N	322.424	3.359	10	20	DGCD	
Cc1ccc(Cl)c(OCC(=O)N(C)Cc2ccccc2O)c1	917307014	BLLQGCZDHRLFFY-UHFFFAOYSA-N	319.788	3.391	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc1Cn1cccn1	922509102	JHHXPMDFIXCOIF-NKGKWGDASA-N	311.429	3.074	10	20	DGCD	
CC(C)Cc1ncc(C(=O)N(C)Cc2ccccc2O)s1	934704944	LTDVEZFISXOERT-UHFFFAOYSA-N	304.415	3.319	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@@H](C)NC(=O)C2(C)CC2)cc1C	1134435839	QFMRKIBDPLTZPO-HUUCEWRRSA-N	318.461	3.177	10	20	DGCD	
CCC[C@H](C)C(=O)N1CCN(c2ccc(OCC)cc2)CC1	1319382279	XNODFUAVLHCPIL-HNNXBMFYSA-N	304.434	3.170	10	20	DGCD	
Cc1csc(CCCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)n1	1325340123	NMJNSCPNBYTMBI-LLVKDONJSA-N	321.402	3.349	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)OC2CCCCC2)c1	1339096029	XFILQBFMDWOOBT-QWHCGFSZSA-N	321.417	3.316	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)c1ccncc1	1595278120	ACDFZNLUWSCKRP-NHYWBVRUSA-N	300.358	3.287	10	20	DGCD	
CCO[C@@H]1C[C@@H](N[C@H](C)c2cc(C(=O)O)ccc2O)C12CCC2	1610034664	UBSMXLTVBNFHKB-HFBAOOFYSA-N	319.401	3.089	10	20	DGCD	
COc1cccc(NC(=S)NCc2ccc(N(C)C)cc2)c1	7371594	GSTFZQPVVKYTAA-UHFFFAOYSA-N	315.442	3.248	10	20	DGCD	
COC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1	52773299	CTOZPGQSQZAJAL-UHFFFAOYSA-N	303.745	3.156	10	20	DGCD	
COc1csc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	176458616	AVRVNTPEAYSCSZ-UHFFFAOYSA-N	304.415	3.095	10	20	DGCD	
C[C@@H](NCC1(C)OCCO1)c1ccc(N2CCCCC2)cc1	179570861	BJSJLCQKZVXPAH-OAHLLOKOSA-N	304.434	3.091	10	20	DGCD	
CCOCCN(CC)Cc1c(O)ccc2ccc(OC)cc12	107669027	IIPBLPHYSVUAAF-UHFFFAOYSA-N	303.402	3.412	10	20	DGCD	
CC(=O)Nc1cccc2c1CCN(Cc1ccc(N(C)C)cc1)C2	179529226	BPMIPDANUHWZHQ-UHFFFAOYSA-N	323.440	3.269	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC(C)(C)CC(=O)OC	119199825	JDGNASBKKXXXKC-UHFFFAOYSA-N	321.417	3.110	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1ccc(-n2cccn2)cc1	124814036	SNMAASXBAMZMRF-UHFFFAOYSA-N	322.368	3.242	10	20	DGCD	
O=C(Nc1cccc(N2CCCCC2)c1)c1c(O)cccc1O	125721661	DEVVASDMITZJBH-UHFFFAOYSA-N	312.369	3.340	10	20	DGCD	
C[C@H](NCCOCC(F)F)c1cc(Br)ccc1O	188746620	DYJKZQQIYIINJH-QMMMGPOBSA-N	324.165	3.087	10	20	DGCD	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc3ccccc3c1O)CC2	185317713	DGFQQSVSVKMFHR-SWLSCSKDSA-N	322.412	3.111	10	20	DGCD	
C[C@H](NCCN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1O	183485847	ODDNMJLNILFHCZ-ZDUSSCGKSA-N	320.433	3.442	10	20	DGCD	
O=C(O)c1ccccc1C(=O)Nc1cccc(N2CCCC2)c1	319932360	CUMSWSDPWRHWMW-UHFFFAOYSA-N	310.353	3.237	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1	134787622	PBZSVVNTXDSMDX-DTJGQCLQSA-N	303.402	3.009	10	20	DGCD	
Cc1c(C(=O)N(C)Cc2ccccc2O)cnn1C1CCCC1	136462034	LCHLCBVKGMLXQF-UHFFFAOYSA-N	313.401	3.284	10	20	DGCD	
Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3csnn3)S2)c1	45745703	RIZKVJGRGZZXDT-WUXMJOGZSA-N	316.411	3.237	10	20	DGCD	
C[C@](CO)(NCc1ccc(N2CCCC2)cc1)c1ccccc1	322491463	OVEMVZLIEBWLLH-HXUWFJFHSA-N	310.441	3.284	10	20	DGCD	
Cc1cccc(C[C@H](CO)N[C@@H](C)c2cc(F)ccc2O)c1	191603481	GLYHVAAXLANYKJ-XJKSGUPXSA-N	303.377	3.094	10	20	DGCD	
Cc1c(Cl)cccc1C(=O)NCCc1ccc(O)c(O)c1	194773566	GPKWQXPVZZNLPN-UHFFFAOYSA-N	305.761	3.032	10	20	DGCD	
CN(C)c1cccc([C@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1	237155122	SNMXILDLPLHCCF-LJQANCHMSA-N	323.440	3.241	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(N)c1	278580226	XZZKBVBGIPKKJB-UHFFFAOYSA-N	310.445	3.286	10	20	DGCD	
CC[C@H](NCc1ncnn1C(C)(C)C)c1ccc(C)cc1O	282902599	WUIORZFRLINYIJ-AWEZNQCLSA-N	302.422	3.288	10	20	DGCD	
OC[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1	293906648	FTOQMUBUZWASIP-SFHVURJKSA-N	302.462	3.271	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1cc(Cl)ccc1O	293663480	IVSSBKLFKMQWJL-NEPJUHHUSA-N	312.841	3.249	10	20	DGCD	
CCN(CCO)Cc1ccc2c(c1)CCN2Cc1ccccc1	809538475	MXPILSAGRPGBSV-UHFFFAOYSA-N	310.441	3.064	10	20	DGCD	
Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c(O)c1O	817223567	WDTJLTXGTFGOSD-MQMHXKEQSA-N	315.344	3.221	10	20	DGCD	
COC(=O)c1ccc2c(c1)CN(Cc1ccc(N(C)C)c(C)c1)C2	815042444	JEVWHBWWXGCDRG-UHFFFAOYSA-N	324.424	3.363	10	20	DGCD	
O=C1COc2c(NCc3ccc4ccccc4c3O)cccc2N1	816614350	UFMVRLSHOHGBIP-UHFFFAOYSA-N	320.348	3.488	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H](CN)[C@H](C)C[C@@H]2C)c1O	817880393	RNAHNRIXWXZKJN-SUNKGSAMSA-N	324.852	3.053	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H](CN)[C@H](C)C[C@H]2C)c1O	817880391	RNAHNRIXWXZKJN-GYSYKLTISA-N	324.852	3.053	10	20	DGCD	
CCOCCO[C@@H](C)C(=O)Oc1ccc2c(c1)c(C)c(C)n2C	817762162	SRTNFUISRIUVJW-AWEZNQCLSA-N	319.401	3.142	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc(CC)s1	727171020	LZLBBEIXDQBSGI-UHFFFAOYSA-N	304.415	3.464	10	20	DGCD	
CC[C@@H](C)[C@H](CNC1CCN(c2ccc(OC)cc2)CC1)OC	824596730	KYEYGVKIEUPARH-BEFAXECRSA-N	320.477	3.315	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)OCCC(C)C)c1	728981830	FLWWOTSJYGFYBE-OLZOCXBDSA-N	309.406	3.029	10	20	DGCD	
C[C@@H](NC(=O)C(C)(C)C1CCC(O)CC1)c1ccccc1O	827946430	HUJSYGMUFZVCGQ-IYXRBSQSSA-N	305.418	3.147	10	20	DGCD	
O=C(/C=C\c1ccc(O)cc1)NCc1c(O)ccc2c1CCCC2	588468890	SFFKOHOUGCGRGK-GHXNOFRVSA-N	323.392	3.306	10	20	DGCD	
C/C(=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	588432679	WMXRPGZIVVLCJG-QLKUMGTLSA-N	311.381	3.249	10	20	DGCD	
CCOc1ccc(CN2CCCC[C@@H]2CCC(=O)O)c(O)c1	903695173	RBEKXUOXCPCFQP-CQSZACIVSA-N	307.390	3.010	10	20	DGCD	
CC(C)Cn1cc(C(=O)NCc2ccccc2O)c(C(F)F)n1	825658642	LWCNEEOSIYFTAG-UHFFFAOYSA-N	323.343	3.112	10	20	DGCD	
Cc1cc(CN2CCOCC23CC3)ccc1N1CCCCC1	829524455	LEFZAZMYYUQAMQ-UHFFFAOYSA-N	300.446	3.350	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)COC1(C)CCC1	839920887	VIGMRYZEJXLOOF-HNNXBMFYSA-N	318.461	3.067	10	20	DGCD	
CCc1[nH]nc(NCc2cc(C)ccc2O)c1Br	834475095	LBQOURDSJSYLKU-UHFFFAOYSA-N	310.195	3.361	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)O[C@H]4CCOC4)ccc31)CCCC2	916629745	ITPWEUNNYXQROQ-ZDUSSCGKSA-N	315.369	3.361	10	20	DGCD	
CCc1nc(SCC(=O)c2ccc(O)c(O)c2)sc1C	845324496	TWQWTTYIBOUFMS-UHFFFAOYSA-N	309.412	3.400	10	20	DGCD	
Cn1ncc2c1CCCN(Cc1c(O)ccc3ccccc13)C2	840174524	BSOXAYNSSVQUQT-UHFFFAOYSA-N	307.397	3.227	10	20	DGCD	
COc1ccc(CNCc2cccc3c2OC(F)(F)O3)c(O)c1	840940828	HBJZXFFJVQIUGU-UHFFFAOYSA-N	323.295	3.012	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc(OC(C)C)nc2)c1O	846141789	STNUFADOHOZFDB-CYBMUJFWSA-N	316.401	3.434	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)COCC1CC1	845581269	VTMUJLAUZJPAAI-CQSZACIVSA-N	320.433	3.129	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cccc([N+](=O)[O-])c1	746492873	NVFJFAZNNSEOKM-UHFFFAOYSA-N	313.357	3.060	10	20	DGCD	
C[C@@H]1c2ccccc2CCN1C(=O)NCCc1ccc(N)cc1	841957300	RJSXCXFSICNCQH-CQSZACIVSA-N	309.413	3.140	10	20	DGCD	
COCC[C@@H](Cc1ccco1)N[C@H](C)c1ccc(F)cc1O	757658164	WQDBAWLFGGJICN-OCCSQVGLSA-N	307.365	3.423	10	20	DGCD	
CN(C)C1CCC2(CC1)CCN(C(=O)c1cc(O)cs1)CC2	854678375	WEKOEXLPESUDES-UHFFFAOYSA-N	322.474	3.180	10	20	DGCD	
Cc1n[nH]cc1CCCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756398434	GADXJZYNODZKHP-YGRLFVJLSA-N	303.381	3.334	10	20	DGCD	
CCc1nncn1CCN[C@@H](C)c1ccc2ccccc2c1O	756622755	YCRXLLFCVBDHPL-ZDUSSCGKSA-N	310.401	3.050	10	20	DGCD	
C[C@@H]1C[C@@H]1CN[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	754119898	FAJUYNPOXRDSOP-IOASZLSFSA-N	308.853	3.256	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(C)cc1O	756711045	HRDVXVAEHVTGLC-XJKSGUPXSA-N	301.386	3.093	10	20	DGCD	
COC[C@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	755081401	HVRRKCNVIZXWAD-MRXNPFEDSA-N	318.461	3.308	10	20	DGCD	
COc1cccc(O)c1CN1C[C@H](C)O[C@H](c2ccsc2)C1	769514404	LYDOOKOLZRLEST-SJCJKPOMSA-N	319.426	3.424	10	20	DGCD	
C[C@H]1[C@@H](C)SCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	769445593	HKJQVAKWLGOATB-DTWKUNHWSA-N	316.810	3.280	10	20	DGCD	
Cc1occc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1	765396848	NIDIEZBXSQHCKH-AWEZNQCLSA-N	300.402	3.275	10	20	DGCD	
Cc1ccccc1-n1ncc(C(=O)NCc2ccccc2O)c1C	769366182	VBWAXQKSYPGANW-UHFFFAOYSA-N	321.380	3.125	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]3CCCC[C@@H]3C2)c1O	1116811594	ITOKZWSWRYEJRH-QWHCGFSZSA-N	320.389	3.321	10	20	DGCD	
CN(C)c1ccc(CNCc2cccc(Cl)c2N)cc1F	876988926	MSTQKDIGGXJTDB-UHFFFAOYSA-N	307.800	3.417	10	20	DGCD	
COc1cccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1	775291486	JABVRGSLRZTILN-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
Cc1ccc(NC(=O)c2cccc(O)c2O)cc1N1CCCC1	874944258	YSUYGKYZHKACDU-UHFFFAOYSA-N	312.369	3.259	10	20	DGCD	
CN(C)c1ccc(CN2CCOCC3(CCCC3)C2)cc1F	776010089	XRKBAFUGBNIOKP-UHFFFAOYSA-N	306.425	3.284	10	20	DGCD	
Cc1cccc2c1CC[C@H]2NC(=O)/C=C\c1ccc(O)c(O)c1	779514864	NKVMEUVQWOQSMX-CXSQMQJXSA-N	309.365	3.223	10	20	DGCD	
CCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccn1	779513958	ZFZIZDRYJLEEFK-TUPIDYKKSA-N	312.369	3.164	10	20	DGCD	
CCCC[C@@H]1NC(=O)N(Cc2ccc(N(CC)CC)cc2)C1=O	777598733	AJBWMVHAFKALPR-INIZCTEOSA-N	317.433	3.143	10	20	DGCD	
CCCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774483317	JQNTXZDHFDTHIE-HUUCEWRRSA-N	305.466	3.098	10	20	DGCD	
C[C@H](NC(=O)c1cc(F)ccc1O)c1ccc(N(C)C)cc1	775411035	NQTAMRWADBWTHH-NSHDSACASA-N	302.349	3.088	10	20	DGCD	
COc1ccc(F)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773019310	KKKJQCRFLYYUAL-GFCCVEGCSA-N	316.376	3.391	10	20	DGCD	
C[C@@](O)(CNCc1cc(Cl)cc(F)c1O)c1ccsc1	776208717	KVERLOYYTUKFCC-CQSZACIVSA-N	315.797	3.244	10	20	DGCD	
CC(=O)c1cc(Cl)cc(Cn2cc(C(C)(C)C)nn2)c1O	880999315	KPPABOAICLEOLE-UHFFFAOYSA-N	307.781	3.186	10	20	DGCD	
CO[C@]1(C(F)(F)F)CCCN(Cc2ccc(N(C)C)cc2)C1	783718026	NPOBIYNUAZPZCV-OAHLLOKOSA-N	316.367	3.296	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CC34CCCCC4)cc2)CC1	883174498	LTFLUYIFTWACSN-IBGZPJMESA-N	314.473	3.460	10	20	DGCD	
CC(C)[C@@H](CC(F)(F)F)NC(=O)/C=C\c1ccc(O)c(O)c1	783870601	XQWXXTOPBFNXNB-VLWUPBBWSA-N	317.307	3.204	10	20	DGCD	
Cc1cc(NCc2ccc(N(C)C)cc2C(F)(F)F)nn1C	793030853	ZIHBKSOKHQNRGI-UHFFFAOYSA-N	312.339	3.425	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](c2ccccc2)C2CC2)c(O)c1	794386773	ADHMSWUNFLIPKF-SFHVURJKSA-N	311.381	3.211	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@@H]2CCC(C)(C)C2)c1O	793351568	JNOVDCUWJUACBP-GFCCVEGCSA-N	308.378	3.320	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C)cc1C	1135987803	IOEJVIJGFCVYRV-LSDHHAIUSA-N	320.477	3.423	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c1	797458519	NCGVOTJBXBGOET-MJBXVCDLSA-N	320.433	3.272	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c(O)c1O	794055546	JBZDQJVVKUTRNP-OAHLLOKOSA-N	315.344	3.353	10	20	DGCD	
C[C@H]1C[C@H](CNCc2ccc(Br)cc2O)CCO1	691488048	KJBCAAHHWIRDAZ-WDEREUQCSA-N	314.223	3.059	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1C[C@H](C)N(C2CC2)C1	1320244089	AFIREOXIVSEHCE-HOSILWTGSA-N	300.446	3.464	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ocnc1CC	1337218825	MMFOFBORAOQNFF-UHFFFAOYSA-N	302.374	3.385	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@H]2CCCc3sccc32)cc1	1336860714	YKZYCHGOHUAQTI-AWEZNQCLSA-N	301.415	3.207	10	20	DGCD	
C[C@H]1CCN(c2nnc(-c3sccc3O)n2CC2CC2)[C@@H]1C	1518345893	RVOBBGOLVHHGDJ-WDEREUQCSA-N	318.446	3.357	10	20	DGCD	
O=C(O)c1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1	1610824468	YHYLWXZJQAUDQN-XYOKQWHBSA-N	319.407	3.139	10	20	DGCD	
CNCCc1ccccc1C(=O)N1CCCc2c(F)cccc21	1578715892	HMQIQKCGNMWXTB-UHFFFAOYSA-N	312.388	3.181	10	20	DGCD	
CCOC1(CN[C@@H](C)c2cc(C(=O)O)ccc2O)CCCC1	1596796834	OWELOPXETLRWIJ-LBPRGKRZSA-N	307.390	3.090	10	20	DGCD	
COc1cc(CN2CCC[C@H](N(C)C)C2)c(O)c(C(C)(C)C)c1	164370334	RNPFRAIEPMFQSD-HNNXBMFYSA-N	320.477	3.224	10	20	DGCD	
CSC[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	151033026	GBHMJMCDIFIPHM-STQMWFEESA-N	312.454	3.064	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1F	176036228	RQFVSOMQLCDTTM-HUUCEWRRSA-N	304.409	3.334	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)Cc2c(C)noc2C)c1O	177252858	OFYCNJSCNLSVLG-UHFFFAOYSA-N	322.792	3.485	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H](C)[C@@H]2CCN)c1O	404315964	OEYNQWIIOGITND-FZMZJTMJSA-N	312.841	3.004	10	20	DGCD	
CC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCCC1	129560651	NMPLSIHEPDWHDE-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
Cc1ccc(CN2CC[C@@H](N[C@H](C)c3ccccc3O)C2=O)cc1	189092545	SLRHPKGNINZSNN-CRAIPNDOSA-N	324.424	3.152	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc2ccccc12	183450700	DKJHIQOGQNOSBW-NSHDSACASA-N	311.337	3.205	10	20	DGCD	
CCOC(=O)C[C@](C)(NCc1cc(OCC)ccc1O)C(C)C	185234855	YRBFREPNAXTAGU-SFHVURJKSA-N	323.433	3.248	10	20	DGCD	
Cc1[nH]c2ccccc2c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186376399	SNEHZPFMERWQTH-NSHDSACASA-N	324.380	3.249	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC)cc2OC)s1	132207587	DIWUJEKQRLZCDF-UHFFFAOYSA-N	321.398	3.188	10	20	DGCD	
Cc1cccc(CN2CCC[C@H](CC(=O)OC(C)C)C2)c1O	185581088	XFCNVXFDGLVXGK-OAHLLOKOSA-N	305.418	3.254	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)OC2CCCCCC2)c1	133460063	CKBBDGZVMXJJFX-CYBMUJFWSA-N	321.417	3.145	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)N[C@@H](C)c1ccc(N(C)C)cc1	191567278	OQKHJLIHKYHOAO-LPHOPBHVSA-N	312.457	3.315	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)cc1	45449239	ZWCHIAWWUJMEGK-CVEARBPZSA-N	312.413	3.344	10	20	DGCD	
Cc1ccc(C(=O)NCCN[C@@H](C)c2ccc(C)cc2O)cc1	193911351	QIFBESRKNVIFFJ-HNNXBMFYSA-N	312.413	3.090	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2cccnc2)c(C)n1-c1ccccn1	97405669	PUMMWEOPMBMVQY-UHFFFAOYSA-N	320.396	3.156	10	20	DGCD	
CCC[C@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	248271599	QGEBKGVEJRGEGO-GOEBONIOSA-N	305.418	3.336	10	20	DGCD	
COc1ncccc1NC(=O)NCc1c(C)c2ccccc2n1C	348544417	PICOZITXMFJIIP-UHFFFAOYSA-N	324.384	3.212	10	20	DGCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC2CC2)cc1	264048316	VKJOEQVFZOJFHN-UHFFFAOYSA-N	314.351	3.444	10	20	DGCD	
CC(C)c1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)no1	266333628	AEINVNWIZBMCMG-UHFFFAOYSA-N	320.368	3.325	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)CNC(=O)OC(C)(C)C)cc1C	276931297	MLDAXXZNUNCJMB-ZDUSSCGKSA-N	308.422	3.012	10	20	DGCD	
CC[C@H](NCc1cccc(C(=O)NC)c1)c1ccc(F)cc1O	286272595	VKDNANPSKDEJNG-INIZCTEOSA-N	316.376	3.132	10	20	DGCD	
CNC(=O)c1cccc(CN[C@H](C)c2c(C)cc(C)cc2O)c1	284242694	VEODBZRULFBINQ-CQSZACIVSA-N	312.413	3.219	10	20	DGCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)C(F)F)cc2Cl)C1	800572401	XBDVYEWSLLDMSI-SNVBAGLBSA-N	316.779	3.458	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@]2(N(C)C)CCSC2)c(O)c1	294786301	OBHXNXZNSAMBCB-RHSMWYFYSA-N	308.491	3.097	10	20	DGCD	
COc1ccc(C)cc1[C@@H](C)NCc1cc2c(cc1O)OCO2	393385768	NBOROQPUIPLNBM-GFCCVEGCSA-N	315.369	3.289	10	20	DGCD	
CC(C)NCCCN[C@H](C)c1cc(Br)ccc1O	817954155	VLGLAGBZNOOHSW-LLVKDONJSA-N	315.255	3.193	10	20	DGCD	
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(F)cc1O	816520544	RQZCGUDNMYJZGG-OLZOCXBDSA-N	312.816	3.243	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3nc(C(C)C)no3)C2)cc1	819933984	AZEPCMRDYBTHTA-ZDUSSCGKSA-N	316.405	3.140	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2ccc(-n3ccnc3)nc2)c(O)c1	815557468	VMPSYUYEULNMET-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
C[C@@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1O	827940355	BSCFJCIGFQEXAD-YGRLFVJLSA-N	318.398	3.191	10	20	DGCD	
CCn1cc([C@H](C)NCc2ccc(Br)cc2O)cn1	826097139	PTYIUABCUOEECM-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)Cc1cc(C)oc1C	822511561	INCUBEMCEPCSKS-UHFFFAOYSA-N	317.385	3.167	10	20	DGCD	
CC[C@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(C)cc1O	903063416	FCGWCXGCYAMJEH-GOEBONIOSA-N	302.422	3.267	10	20	DGCD	
CCN(CC)[C@H](CNC(=O)c1cc(O)cs1)c1ccccc1	731866517	OJAJQMNFXNXUQP-OAHLLOKOSA-N	318.442	3.267	10	20	DGCD	
CCn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cn1	732528988	JJAFLCXEQGPWOQ-MDWZMJQESA-N	315.423	3.309	10	20	DGCD	
C[C@@H](NC(=O)[C@H](C)C(C)(C)C)c1ccc(N2CCOCC2)cc1	734390268	QEOXETLSZYURBQ-LSDHHAIUSA-N	318.461	3.383	10	20	DGCD	
CC(C)[C@H](N[C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C	834733538	NBORWRAPCCCXNB-CJNGLKHVSA-N	305.418	3.335	10	20	DGCD	
O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc(O)cs1	731871553	IGCAJJYFJICZKV-CQSZACIVSA-N	319.382	3.264	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CCn2nc(C3CC3)cc2C1	902408136	XODVEWCSWURONL-UHFFFAOYSA-N	320.396	3.030	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](O)CC2)ccc1N1CCCCC1	830052099	IOBXCZAFLROCOU-GOSISDBHSA-N	302.462	3.332	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@H]1C[C@H](C)c2c(F)ccc(O)c21)C(C)C	834880244	QDGFFTQOHKMATA-BNLOLNQZSA-N	322.424	3.172	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@@H](O)[C@H](C2CCCC2)C1	839193935	ZRWACEWBZADLJR-SUMWQHHRSA-N	309.837	3.419	10	20	DGCD	
Cc1cnc(CCNCc2ccc(N3CCCCC3)cc2)cn1	835063621	NRKQWTPQIPVLCK-UHFFFAOYSA-N	310.445	3.108	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1	746134256	OWRPMJCLPAIYFO-HZPDHXFCSA-N	317.477	3.022	10	20	DGCD	
Cc1cc(Br)cc(CN2C[C@H]3[C@H](C2)C3(F)F)c1O	846111294	LDFVTGDJBIXGOB-QWRGUYRKSA-N	318.161	3.160	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2CCCN3CCCC[C@@H]23)c1O	848927798	NUFZOEKVJKYSIN-GJZGRUSLSA-N	324.852	3.161	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCNCc2ccccc21	841035497	HMCUKBPMSDGIBH-UHFFFAOYSA-N	306.768	3.295	10	20	DGCD	
CCc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	746798191	NFQLDUDQBCDLEB-UHFFFAOYSA-N	300.377	3.384	10	20	DGCD	
COc1ccc(N(CC(=O)N2CCCCC2)CC(C)C)cc1	746171062	NHYXJAPIXPJXBC-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@H](Oc3cccc(F)c3)C2)c1	753592951	WJYRACNMHPZCBK-KRWDZBQOSA-N	301.361	3.493	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2Cc3ccccc3NC2=O)cc1	858280718	BEESWWFSPARIPS-LJQANCHMSA-N	323.440	3.186	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCN2CCc3ccccc32)c1	756482936	LJEUHNRUZMEHBN-AWEZNQCLSA-N	312.413	3.114	10	20	DGCD	
CCO[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1	858835212	CWXBCHWWCPKEOJ-SFHVURJKSA-N	316.445	3.108	10	20	DGCD	
C[C@@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)c1c(O)cccc1F	927002615	WJWRTZXLQJEWAB-NEPJUHHUSA-N	324.396	3.191	10	20	DGCD	
C[C@@H](CCC1CC1)NCc1ccc(N2CCC(O)CC2)cc1	850567921	MFABOQCDKKMWLM-HNNXBMFYSA-N	302.462	3.316	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C1(C)C	750826909	UBWXMYMEQWXKHN-JKSUJKDBSA-N	323.408	3.369	10	20	DGCD	
CCCCCS(=O)(=O)NCc1ccc(N(CC)CC)cc1	759002748	FATXQONZIZQWJB-UHFFFAOYSA-N	312.479	3.142	10	20	DGCD	
Cc1nc2nc(Sc3ncc(Cl)s3)nn2c(C)c1C	765003690	ZYDCNSQDLLHSJI-UHFFFAOYSA-N	311.823	3.311	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc[nH]1	760305112	AHMDKOQKMQBDNE-AWEZNQCLSA-N	312.417	3.175	10	20	DGCD	
Cc1ccc(F)c(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)c1	768347746	ZQYLURLMBIMQKZ-VMPITWQZSA-N	315.344	3.217	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](C(C)(C)C)C2)c1O	775061634	ZRSLEHGCHKJTTG-GFCCVEGCSA-N	308.378	3.177	10	20	DGCD	
O=C1[C@@H](NCc2cccc(Cl)c2O)CCN1C1CCCCC1	776253896	WQAJNRTYKKHOFN-HNNXBMFYSA-N	322.836	3.069	10	20	DGCD	
Cc1ncc([N+](=O)[O-])n1CCSc1ncc(Cl)s1	871677602	AHXBMLONJDFGAW-UHFFFAOYSA-N	304.784	3.002	10	20	DGCD	
COC[C@H](C)N[C@@H](C)c1cc(Br)cc(C)c1O	779001423	RQKQAEAJMKKXLA-UWVGGRQHSA-N	302.212	3.149	10	20	DGCD	
CCc1cc(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)no1	887787012	ANLLAGYWHRYTLT-UHFFFAOYSA-N	315.417	3.355	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](C)Oc2ccccc2)c1O	894277648	XZEQHRWMCYDZEL-AWEZNQCLSA-N	301.386	3.266	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(F)c1F	789833926	BOWPJIKBMCTHEL-SECBINFHSA-N	322.311	3.129	10	20	DGCD	
C[C@H](NCCc1ccn(-c2ccccc2)n1)c1ccccc1O	783508404	KDYJWVNREAKCAZ-HNNXBMFYSA-N	307.397	3.471	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN[C@H]2CCOC2=O)cc1	895794076	RRBUCNGEBYBHHL-IBGZPJMESA-N	324.424	3.118	10	20	DGCD	
CC[C@@H](C)c1nc([C@@H](C)NCc2cc(C)cc(OC)c2O)n[nH]1	894554918	BPFVCVRBZZSHNF-VXGBXAGGSA-N	318.421	3.192	10	20	DGCD	
COC(=O)c1cc(NCc2cc(OC)ccc2O)c(C)cc1C	788268751	GAMGKMDGVGDJJA-UHFFFAOYSA-N	315.369	3.416	10	20	DGCD	
COc1cc(C)cc(CN2Cc3ccccc3O[C@@H](C)C2)c1O	793778175	BEUNDUWFNMQVLO-AWEZNQCLSA-N	313.397	3.492	10	20	DGCD	
C[C@@H](C[C@@H](C)O)NCc1ccc2c(c1)CCN2Cc1ccccc1	796343075	PONFNXVEQKXDCD-DLBZAZTESA-N	324.468	3.498	10	20	DGCD	
CC[C@@H](N[C@H]1C[C@H](OC)C1)c1cc(Br)ccc1O	706545271	HBDRIIQTLLBZAZ-NQBHXWOUSA-N	314.223	3.373	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CNc2ccccc21	1341399701	UPFDYSGQCAVZPS-INIZCTEOSA-N	310.397	3.340	10	20	DGCD	
O=C(CC[C@H]1CCCCO1)Nc1c(Cl)ccc2nonc12	1342949440	BYLXCZCAZYKERX-SECBINFHSA-N	309.753	3.164	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)ncc2C)c1	1355301903	NPIUIRAJNBEJHP-JTQLQIEISA-N	320.776	3.249	10	20	DGCD	
COc1ccc(O)c(CNC2(CCC(=O)O)CCCCC2)c1	1607277687	NXTFPCCZJAELJE-UHFFFAOYSA-N	307.390	3.058	10	20	DGCD	
O=C(O)[C@@H]1CN(Cc2ccc3ccccc3c2O)C[C@H]1C1CC1	1608809182	NINLTPFLWXNXQT-DLBZAZTESA-N	311.381	3.088	10	20	DGCD	
O=C(O)[C@H]1C[C@H](NCc2cc(F)cc(F)c2O)c2ccccc21	1574650449	RRERBUHPHNXYLG-ZFWWWQNUSA-N	319.307	3.073	10	20	DGCD	
CC(C)CC[C@@](C)(NCc1ccc2c(c1)CCCO2)C(=O)O	1776323118	SZXCEVBOURSOTF-GOSISDBHSA-N	305.418	3.381	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@H](C)c1ccc(N(C)C)cc1	156961754	GRBNJQAFNRVGPO-OAHLLOKOSA-N	305.466	3.052	10	20	DGCD	
COc1cc(Cl)cc(CNCCc2scnc2C)c1O	391138904	QMSAXTPKVOHIRT-UHFFFAOYSA-N	312.822	3.151	10	20	DGCD	
CC[C@](C)(CNCc1cc(Br)cc(F)c1O)OC	715720392	XUGOGYOGMFZDAH-CYBMUJFWSA-N	320.202	3.199	10	20	DGCD	
CC[C@H](NCc1nccn1C)c1cc(Br)ccc1O	71273040	VHRLWHRNSFHFQD-LBPRGKRZSA-N	324.222	3.129	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCOC(C)(C)C1	77495225	WRWMTZHESHTMLF-UHFFFAOYSA-N	318.442	3.407	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C2CCC2)cc1F	102905182	UXYUPBWCWLQMFW-INIZCTEOSA-N	319.424	3.366	10	20	DGCD	
c1ccc([C@H]2C[C@H]2CNCc2ccc(N3CCOCC3)cc2)cc1	111398444	VBJIAPVZUQVFJZ-PZJWPPBQSA-N	322.452	3.417	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCc3c(O)cccc32)cc1F	113337303	SRNNSKIQTJTFDT-MRXNPFEDSA-N	300.377	3.374	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCc2ccc(C)cc2C)c1	114541657	LWPFTDRAFCSAEG-UHFFFAOYSA-N	313.397	3.267	10	20	DGCD	
Cc1noc(C2CC2)c1NC(=O)N(C)Cc1ccccc1O	154991822	IQSOXJWLUVPXME-UHFFFAOYSA-N	301.346	3.230	10	20	DGCD	
Nc1ccc(CC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1	157814470	UIMTWLDSIXORDN-HNNXBMFYSA-N	314.816	3.481	10	20	DGCD	
COc1ccc(N(C)CCOc2ccccc2C(=O)O)cc1F	183928343	JAYXRNKHXFNXAS-UHFFFAOYSA-N	319.332	3.048	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ccc(-n3cncn3)cc2)c1	185353574	JOFHKYRWQIMELE-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1ccccc1)c1ccc(F)c(F)c1O	187720070	YMWMBMGAXJWPAZ-GTNSWQLSSA-N	307.340	3.229	10	20	DGCD	
Cc1ccc(C(=O)N(C)c2ccc(OC(C)C)cc2)c(O)c1O	192263147	XKPOLCRWLSZKDM-UHFFFAOYSA-N	315.369	3.470	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2ccc(OC)cc2O)C1(CC)CC	236975752	SQAQWNGWIIWHPU-SJORKVTESA-N	307.434	3.474	10	20	DGCD	
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	246985393	RVFYVBUIMCTLQI-TYNCELHUSA-N	324.371	3.029	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCOc2c(Cl)cccc21	255011685	QCBVLIBZDSOJHS-PLNGDYQASA-N	318.735	3.313	10	20	DGCD	
CCOc1cccc(CNCc2csc([C@@H](C)OC)n2)c1O	267617844	JYFTZXRFOYZXAR-LLVKDONJSA-N	322.430	3.245	10	20	DGCD	
COC(=O)Nc1ccc(CCN[C@H](C)c2ccccc2O)cc1	272928630	ZEVMBWJGEZPUEE-CYBMUJFWSA-N	314.385	3.464	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](CO)c2ccc(Cl)cc2)c1	273548803	ZXICVYUDXANHBG-ZBEGNZNMSA-N	321.804	3.438	10	20	DGCD	
CC(C)N1CCC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1	273604898	SZXDLRBZOVLKPJ-KGLIPLIRSA-N	321.421	3.071	10	20	DGCD	
Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273605878	TZXRWYLBMPIWDL-ZJUUUORDSA-N	319.361	3.187	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](N(C)C)CC2)c1O	277315842	UWOHZAQQGNGKRN-OAHLLOKOSA-N	324.852	3.164	10	20	DGCD	
CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F	278257746	XVQCDJPBLMWPNZ-UIFQAOBASA-N	317.307	3.204	10	20	DGCD	
CC[C@H](NCCCOC[C@H]1CCCO1)c1ccc(F)cc1O	285771067	SUVXNPRPWZUFAM-ZBFHGGJFSA-N	311.397	3.158	10	20	DGCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2CCC[C@H]21	294874448	UBWJWWZCJDOVHR-BIYBCCJYSA-N	301.386	3.148	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(N)cc1)Cc1cccc(F)c1	297225929	OIUKVSVTTFVNOL-CYBMUJFWSA-N	300.377	3.293	10	20	DGCD	
CO[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	374681369	VCFJCIAQQJXFRB-CQSZACIVSA-N	311.809	3.249	10	20	DGCD	
CCN(Cc1ccc(Br)cc1O)C[C@H]1CCCO1	691678141	OJQWADPQZNQTRX-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
C[C@H](CNCc1ccc(N2CCCC2)cc1)CC1(C)OCCO1	715908741	LXHYZJTYRDSXMJ-INIZCTEOSA-N	318.461	3.166	10	20	DGCD	
C[C@H](NC[C@@H]1CCN1Cc1ccccc1)c1cc(F)ccc1O	716181097	XSBMPXXFEYFZSO-YOEHRIQHSA-N	314.404	3.456	10	20	DGCD	
CCC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	727180169	XYXGBAQPHKDJFR-UHFFFAOYSA-N	303.333	3.369	10	20	DGCD	
CCOc1ccc(O)c(CNCCCC(=O)OC(C)(C)C)c1	744450478	WLGFRVWROABQTN-UHFFFAOYSA-N	309.406	3.002	10	20	DGCD	
CCO[C@@H]1C[C@H](NC(=O)c2cc(O)cs2)C12CCCCC2	748339397	NKVDHRUSEKSYFL-UONOGXRCSA-N	309.431	3.311	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H]([C@H]3CCOC3)C1)CCCC2	768461852	GCKITAOIQLDQDM-IRXDYDNUSA-N	301.430	3.129	10	20	DGCD	
COc1cccc(O)c1CN(C)CCCOc1ccc(F)cc1	768863999	ZQMGUBQVWRYXBG-UHFFFAOYSA-N	319.376	3.441	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1C1CC1	785078990	SKIUJDVLKNBYQO-UHFFFAOYSA-N	309.413	3.297	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2ccc(NC(N)=O)cc2)c(O)c1	788505568	HVQFURCPFSIEEY-ZDUSSCGKSA-N	313.401	3.350	10	20	DGCD	
COC(C)(C)[C@@H](C)NCc1ccc(N2CCSCC2)cc1	788543036	RNJMYVXGXXLZIP-CQSZACIVSA-N	308.491	3.143	10	20	DGCD	
CC(C)C[C@@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1O	788564609	WTXAQMPRUJIHBT-QWRGUYRKSA-N	305.340	3.469	10	20	DGCD	
COC1(CNCc2ccc(N3CCSCC3)cc2)CCCC1	790949017	OESUZDSZHZBXKI-UHFFFAOYSA-N	320.502	3.289	10	20	DGCD	
COc1ccc(CNC(=O)Cc2c[nH]c3c(C)cccc23)c(O)c1	794379540	PHYUSYAEAIMXHB-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
Cc1ccc(NC(=O)c2cc(O)cs2)cc1NC(=O)N(C)C	796389893	BWAIGUNHERPBLY-UHFFFAOYSA-N	319.386	3.108	10	20	DGCD	
Cc1cc(Br)cc(CNCCCOC(F)F)c1O	802657207	WGYKADATSLNMDJ-UHFFFAOYSA-N	324.165	3.182	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O	808706219	FFOKXCRKBLQJTC-WCQYABFASA-N	324.852	3.404	10	20	DGCD	
CC[C@H]1CC[C@H](C)N1Cc1ccc(N2CCN(C)CC2)cc1	809768607	QCIQLRMUEAZOCL-WMZOPIPTSA-N	301.478	3.201	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCSC1	810112459	VITPZAKOJNMQKL-OAHLLOKOSA-N	304.459	3.046	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H](CO)Cc3ccccc32)cc1F	814169678	LGZNWVWLOBVSEJ-HNNXBMFYSA-N	314.404	3.063	10	20	DGCD	
CCN(C)c1ccc(CN2CCCC[C@@H]2CCC(=O)NC)cc1	815117307	NRPGKDHFZAKNAW-GOSISDBHSA-N	317.477	3.023	10	20	DGCD	
NCC(F)(F)CN[C@H](CCc1ccccc1)c1ccccc1O	817968411	RWOIUJYHGPPKAT-MRXNPFEDSA-N	320.383	3.250	10	20	DGCD	
C[C@H](N[C@H]1CC12CCNCC2)c1cc2c(cc1O)CCCC2	817977048	ZRSVSBLIYSGKIP-UGSOOPFHSA-N	300.446	3.064	10	20	DGCD	
COc1ccc(O)c(CN2CCOC[C@H]2c2ccc(F)cc2)c1	825046220	QVJHSHXKEJZEPR-KRWDZBQOSA-N	317.360	3.113	10	20	DGCD	
Cc1csc(CCCC(=O)N[C@H](C)c2ccccc2O)n1	827946284	CMCNYQFWTDFFSR-GFCCVEGCSA-N	304.415	3.357	10	20	DGCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(N)cc1	837302985	PBRPIUPQRJFJQZ-JLSDUUJJSA-N	318.461	3.362	10	20	DGCD	
CC[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(N(C)C)cc1	840886900	CLJDGNWJBZUWQS-XHSDSOJGSA-N	312.404	3.342	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)[C@H](O)c1ccc(F)cc1	840934763	XCGBHNBXCRDVMF-KUHUBIRLSA-N	316.420	3.412	10	20	DGCD	
C[C@H]1CCCC[C@@H]1N1CCC(NCCc2ccc(N)cc2)CC1	841033878	CSEZILQTKKIYCD-JXFKEZNVSA-N	315.505	3.444	10	20	DGCD	
Nc1ccc(CCNCc2cccc(OC(F)(F)F)c2)cc1	841034017	FIYRGOAFPRPKDE-UHFFFAOYSA-N	310.319	3.500	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc(F)cc(F)c1O)C(=O)OC(C)(C)C	842926283	UNLNZJDGNYXKJD-ZANVPECISA-N	315.360	3.441	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1O	846155099	DQOZCCGRYYLTMZ-AHIWAGSCSA-N	323.458	3.106	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC(F)(F)C2)c1	858425716	JSSNITICMSGWKH-GFCCVEGCSA-N	312.360	3.325	10	20	DGCD	
C[C@@H](NC(=O)NCC1Cc2ccccc2C1)c1ccccc1O	868271835	YAMNISNJGJCKTF-CYBMUJFWSA-N	310.397	3.167	10	20	DGCD	
CCCc1nc(C)c(CNC(=O)N[C@H](C)c2ccccc2O)o1	868642636	RXNPVGKWIQXLFI-LLVKDONJSA-N	317.389	3.202	10	20	DGCD	
COc1cccc2c1O[C@H](c1cc(Cl)c(C)cc1O)NC2=O	877841891	BLRCPQSUFSRCSB-MRXNPFEDSA-N	319.744	3.184	10	20	DGCD	
Cc1cccn2cc(CCN[C@H](C)c3c(O)cccc3F)nc12	886534500	JQTIZMZYFJSNOO-CYBMUJFWSA-N	313.376	3.381	10	20	DGCD	
COc1ccc(CNc2ccccc2OCCF)c(O)c1OC	894669252	XVNKATQKVATCDQ-UHFFFAOYSA-N	321.348	3.370	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCCCc2ccccc2)c1	896360160	ARKRIOUMWDMABZ-UHFFFAOYSA-N	313.397	3.430	10	20	DGCD	
COCCN(Cc1ccccc1)Cc1cc(C)cc(OC)c1O	915807529	FIQNUXCUBPXXTH-UHFFFAOYSA-N	315.413	3.358	10	20	DGCD	
CC(C)N(CC(=O)NC1CCCC1)Cc1ccc(N(C)C)cc1	917075322	TVSANYZYXXUNEZ-UHFFFAOYSA-N	317.477	3.022	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CCC2(CC1)CC2	935945337	UEHJQWKUFPPOEK-UHFFFAOYSA-N	308.418	3.465	10	20	DGCD	
O=C(O)[C@H]1CCC[C@H]1NCc1cc(-c2ccccc2)ccc1O	1601808769	OFKFFPMTVMDASK-DLBZAZTESA-N	311.381	3.402	10	20	DGCD	
CN(CCc1ccccc1Cl)c1ccc(OCC(=O)O)cc1	1606139400	GCXHLHOOTWKYPM-UHFFFAOYSA-N	319.788	3.482	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](C(=O)O)Cc2ccccc21	1607667852	VYXXRDCRNQBXLW-KRWDZBQOSA-N	324.424	3.325	10	20	DGCD	
Cc1cc(NC(=O)N(C)Cc2ccccc2O)cc(C(=O)O)c1	1607681069	SFFNPHGLCQJMCC-UHFFFAOYSA-N	314.341	3.063	10	20	DGCD	
CCN1CCc2cc(CN[C@@]3(C(=O)O)CCC[C@@H](C)C3)ccc21	1776877430	HBGQJENEPDZUOW-KUHUBIRLSA-N	316.445	3.192	10	20	DGCD	
CN(CCCNCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C	105436195	CPTONSJKWFDZIP-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
COc1ccc(CCN[C@@H](C)c2ccc(F)cc2O)cc1OC	170788735	ZHGROXIAZHGACU-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
CCOCc1cc(CNCC2(O)CCCCCC2)ccc1OC	172215930	VGYAUHIKUIWCDZ-UHFFFAOYSA-N	321.461	3.407	10	20	DGCD	
CCCCCN(CCO)Cc1cccc(Br)c1O	126884923	LIAJBNHOAKKRQJ-UHFFFAOYSA-N	316.239	3.139	10	20	DGCD	
CSc1ccccc1N(C)C(=O)/C=C/c1cnn(C)c1C	127085306	IGXVXYWGETYYFC-MDZDMXLPSA-N	301.415	3.127	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C[C@H](O)c2ccco2)c1	185836154	MIEZQPCLGDNONR-WQGACYEGSA-N	305.374	3.157	10	20	DGCD	
O=C(NCc1ccccc1O)c1cccc(OC(F)(F)F)c1	318950391	XLLMBMGWKHZDLR-UHFFFAOYSA-N	311.259	3.221	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@H](CC(=O)OC(C)C)C2)c1	185580032	QAIGFFZDLVCADZ-OAHLLOKOSA-N	305.418	3.254	10	20	DGCD	
O=C([C@@H]1CC=CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	71798975	NUZAYUFCUMOLRC-NVXWUHKLSA-N	315.413	3.256	10	20	DGCD	
CNC(=O)c1ccc(CN(C)c2ccc(OC(C)C)cc2)cc1	191579662	UCNUOYQKXRBARL-UHFFFAOYSA-N	312.413	3.470	10	20	DGCD	
Cc1nc(COc2ccc(NCc3ccccc3O)cc2)no1	131515625	JQENQALRGNLPOJ-UHFFFAOYSA-N	311.341	3.275	10	20	DGCD	
C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(F)cc1O	320513176	DZLGHKCIBUFFQU-LLVKDONJSA-N	315.348	3.234	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(F)c(F)c1	87299395	HABHMUIQJVRWMX-UHFFFAOYSA-N	318.367	3.198	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1nc(C(C)(C)C)no1	237500551	HCRVDHDPRZLZPV-GFCCVEGCSA-N	302.422	3.284	10	20	DGCD	
Cc1cc(Br)c(O)c(CNCc2cccnc2C)c1	527794056	RVCQBSSMXIXOBZ-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
Cc1ncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1	264585178	DTTIDWNSFKMESH-HNNXBMFYSA-N	318.442	3.338	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NC[C@H](C)CCO)c1O	275346222	PSMOSFVAZFJOGW-KOLCDFICSA-N	316.239	3.132	10	20	DGCD	
CCc1c(NC(=O)c2cccc(O)c2O)cnn1CCC(C)C	276985683	BPJAFSRQLXKFCV-UHFFFAOYSA-N	317.389	3.155	10	20	DGCD	
C[C@H](NCC1(O)CCCCCC1)c1cc([N+](=O)[O-])ccc1O	273565990	JMMFRHAZKYQDHF-LBPRGKRZSA-N	308.378	3.036	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccsn1	294526256	UFSZMTXJGPPCBB-UHFFFAOYSA-N	315.442	3.406	10	20	DGCD	
CC[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1ccccc1O	295105752	KZIZMQCHZODWBQ-NVXWUHKLSA-N	303.377	3.176	10	20	DGCD	
CC(=O)C(=O)COC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	808484902	LKSADFUIKOJVNU-GFCCVEGCSA-N	322.426	3.214	10	20	DGCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4c(O)ccc(Cl)c4F)[C@H]1[C@H]3C2	809696977	BDTDPWLFGRLDII-LIVQFIEQSA-N	311.784	3.040	10	20	DGCD	
COc1cccc(CNC(=O)NCC(C)(C)C2CCC2)c1O	297519096	NNIOTSGPLYKUIA-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
CC[C@]1(C)CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	399771238	SMAGZTXKHKYOSL-GMNBZTITSA-N	304.346	3.319	10	20	DGCD	
CCOC1CC(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1	805181065	HPKNBQWXUXNCMJ-UHFFFAOYSA-N	322.424	3.103	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ncc(C(F)(F)F)cn2)c1	296417544	LFCLDMQUZABWDQ-SNVBAGLBSA-N	311.307	3.360	10	20	DGCD	
COc1cccc(C2(CNCc3cc(F)ccc3O)CC2)c1	811509967	NSCJPEIJYWDSOL-UHFFFAOYSA-N	301.361	3.361	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc3c(c2)CNC3)c2c(O)ccc(F)c21	817968543	LIKUULRVQGKKFO-BDJLRTHQSA-N	312.388	3.473	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@@H]2CCOC3(CCOCC3)C2)c(O)c1	815596952	JCGYPUCXAOIINA-HZPDHXFCSA-N	319.445	3.388	10	20	DGCD	
CC(C)(C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1	817911845	LJCPITWGHIDPSE-UHFFFAOYSA-N	317.458	3.482	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccnc(Cl)c2C)c1	810288842	CIBVBZOVIUNROP-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
CC[C@@H](NCc1ccc(Br)cc1O)[C@@H](O)C(C)C	826120788	JBZRNFZTCFQHOT-OCCSQVGLSA-N	316.239	3.040	10	20	DGCD	
COc1ccc2c(c1)N(C(=O)/C=C(\C)c1cnccn1)CCCC2	827028287	VPRDNHUQNIXZNI-SDNWHVSQSA-N	323.396	3.258	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1	825112249	SBWOMBOFXNDGJA-LSDHHAIUSA-N	324.424	3.157	10	20	DGCD	
COc1ccc(O)c(CNC[C@](C)(OC)c2ccccc2)c1	824780552	SSLAPDCPGHRWNY-SFHVURJKSA-N	301.386	3.052	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1c1ccccc1	827316433	AWXPPPKCIXAOFU-JKSUJKDBSA-N	311.381	3.298	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1Cl	825391020	OHBABEWNFVQTPC-MAZHCROVSA-N	307.821	3.401	10	20	DGCD	
CCOC(=O)c1cccc(N(CC)C(=O)c2cc(O)cs2)c1	823067116	GDJPRQZFVPHKIY-UHFFFAOYSA-N	319.382	3.297	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C(=O)O)c2ccc(F)cc2)c1	833733370	FQISFHJADXDBRT-MGPLVRAMSA-N	319.332	3.016	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@](C)(O)c2cccc(F)c2)c(O)c1	903310770	QQEPNFJKKGSGND-SCLBCKFNSA-N	303.377	3.398	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)C(C)(C)C)cc1	733915671	VTGOWVYNTTWMGT-UHFFFAOYSA-N	304.434	3.106	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)COCC1CCCC1	836761954	IGIQEQWOVBFKBN-UHFFFAOYSA-N	305.418	3.338	10	20	DGCD	
COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(O)cs3)C2)c1	839792942	NZBYPAPQNHIPTI-JOCQHMNTSA-N	317.410	3.481	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1nc(C(C)C)no1)CCC2	839653894	JHUZESJDTKRQIT-UHFFFAOYSA-N	317.389	3.163	10	20	DGCD	
CSCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C	913403649	XGZGETXSKPZJJX-UHFFFAOYSA-N	302.443	3.495	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2c(F)cccc2Cl)cc1	841041489	CNNSARKQKCIWJR-KRWDZBQOSA-N	321.827	3.335	10	20	DGCD	
CO[C@@](C)(C1CC1)[C@H](C)NCc1c(O)ccc(Cl)c1F	840961119	QRFOYZVOVOKVOF-BJOHPYRUSA-N	301.789	3.478	10	20	DGCD	
COc1ccc(C[C@H](C)NCCc2ccc(N)cc2)cc1OC	841033778	BBJPMCOXNZXTRK-AWEZNQCLSA-N	314.429	3.049	10	20	DGCD	
CC(C)[C@@H]1N(C(=O)NCCc2ccc(N)cc2)CC12CCC2	841955436	BZNWCCQJVTUEJR-INIZCTEOSA-N	301.434	3.031	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H](c3nc(C)no3)C2)cc1	741754243	MBTDFJJQZYYJCJ-MRXNPFEDSA-N	314.433	3.214	10	20	DGCD	
CCCOCCOC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	859192051	HVCJQVPFFJIQEI-OAHLLOKOSA-N	322.449	3.145	10	20	DGCD	
C[C@@H](NCCN(C)CC(F)F)c1cc2c(cc1O)CCCC2	858596643	IAXSFORWPWMUSA-GFCCVEGCSA-N	312.404	3.119	10	20	DGCD	
C[C@H](NCCOc1ccccc1F)c1cc([N+](=O)[O-])ccc1O	756372111	OEKXGJFJPMXVPC-NSHDSACASA-N	320.320	3.169	10	20	DGCD	
CCOCCOCCN[C@H](C)c1ccc(Cl)c(Cl)c1O	927087340	MOEYAPWUUIULMU-SNVBAGLBSA-N	322.232	3.403	10	20	DGCD	
COC1CCC(CCNC(=O)NCc2cc(C)ccc2O)CC1	858359941	VMUYNKLNDAPFLX-UHFFFAOYSA-N	320.433	3.095	10	20	DGCD	
CC[C@@H]1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)C1	755126574	JJBMHVKDSLJSTC-OAHLLOKOSA-N	303.450	3.474	10	20	DGCD	
Oc1cccc2c1[C@@H](NCC1CCN(CC3CC3)CC1)CC2	850582759	LCFYEHMWMLILJU-KRWDZBQOSA-N	300.446	3.091	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)O1	750045478	RKIUDVUBDGTSPN-QMTHXVAHSA-N	311.809	3.248	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@H](c2ccco2)N(C)C)cc1F	858086602	CHUFQWIEFDRZQI-MRXNPFEDSA-N	323.387	3.016	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)ncn2C)c1cc([N+](=O)[O-])ccc1O	757614553	VCNVAZFRAQRPCI-JTQLQIEISA-N	312.329	3.360	10	20	DGCD	
CN1CCc2cc(/C=C/c3ncc(/C=C/C(=O)O)s3)ccc21	751534108	GYJFFFGSCQAJTP-XOKGJFMYSA-N	312.394	3.404	10	20	DGCD	
CCSCC[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O	756618413	PXNGTRYJTVLFFP-NEPJUHHUSA-N	311.447	3.361	10	20	DGCD	
COc1cc(F)cc(OC)c1CNCc1ccc(N(C)C)cc1	865405121	WXUFRMUTTVMDJN-UHFFFAOYSA-N	318.392	3.199	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@H](C3CCOCC3)C2)cc1F	862250519	PZLUTWJBUHSGLF-AWEZNQCLSA-N	324.415	3.279	10	20	DGCD	
COC[C@@](C)(O)CN[C@H](C)c1ccc(N2CCCCCC2)cc1	765937627	OXJUXLYZVKJGGM-APWZRJJASA-N	320.477	3.115	10	20	DGCD	
CCO[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1	861728622	LKMOQTGTXSDOIO-CYBMUJFWSA-N	318.200	3.130	10	20	DGCD	
C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)c1nccs1	868498118	IYJWYFBRFPNIPJ-GHMZBOCLSA-N	305.403	3.013	10	20	DGCD	
Cc1ccc(CO[C@@H](C)C(=O)N(C)Cc2ccccc2O)cc1	860048764	DBUPSWUBYYPNPN-HNNXBMFYSA-N	313.397	3.264	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1CCCc2sccc21	768308271	VBXOTRAREAWAMW-ZDUSSCGKSA-N	302.399	3.331	10	20	DGCD	
CCCCCn1cc(CNCc2c(O)cccc2OC)c(C)n1	767428038	YFLRLHHTKPZLLU-UHFFFAOYSA-N	317.433	3.386	10	20	DGCD	
Cc1ccc(CNCc2c(C)cccc2O)c(N2CCCC2)n1	877189095	NOEAOONQQORURM-UHFFFAOYSA-N	311.429	3.294	10	20	DGCD	
C[C@@H](NC[C@H]1C[C@H](N)C1)c1ccc(N2CCCCCC2)cc1	873257425	HGFRNBMXBSEUNO-JFIYKMOQSA-N	301.478	3.455	10	20	DGCD	
COc1ccc(CN[C@H](C(=O)OC(C)(C)C)C(C)C)cc1C	776251748	YICWCMJDWJGNOB-INIZCTEOSA-N	307.434	3.460	10	20	DGCD	
CC/C(C)=C(/C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	779857913	QGZSHCXHRKTXLS-YPKPFQOOSA-N	320.408	3.025	10	20	DGCD	
Cc1ccc([C@H](C)Nc2cccc3c2N(C)C(=O)CO3)c(O)c1	883397050	CNAGTZPEJFEVBZ-LBPRGKRZSA-N	312.369	3.229	10	20	DGCD	
COC1(CNC(=O)c2sccc2-n2c(C)ccc2C)CCC1	780764234	BMXGWXKIXSMRGU-UHFFFAOYSA-N	318.442	3.455	10	20	DGCD	
COC(=O)C1CCC(NCc2cc(Cl)c(C)cc2O)CC1	898610524	LBEJOAJJDOIIQR-UHFFFAOYSA-N	311.809	3.175	10	20	DGCD	
COCCN(Cc1ccc(OC)c(OC)c1O)c1ccccc1	894743924	RVHUXOQLUCSERK-UHFFFAOYSA-N	317.385	3.062	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCC[C@H]1CCCC[C@H]1O	897536334	JONOUSYQXBDDBM-QMTHXVAHSA-N	301.789	3.216	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@H](C)NC(=O)C2CCC2)cc1C	1133464670	CGOXCLDXPTZQGX-CABCVRRESA-N	318.461	3.177	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](C)Cc2cccc(F)c2)c(O)c1	794382745	GMRPTIVVVMFWAQ-GFCCVEGCSA-N	317.360	3.035	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@@H]1C[C@@H](O)c1ccco1	894096676	WEBMHVWOZDPGJI-UKRRQHHQSA-N	323.339	3.352	10	20	DGCD	
CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1	799383214	GRQFUCISXUIMBE-GRDNDAEWSA-N	319.449	3.023	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCCCCO)c1	791145315	HUPXVKOKKPPTHM-UHFFFAOYSA-N	314.429	3.295	10	20	DGCD	
O=C(CCSCc1ccccc1)NCc1ccc(O)c(O)c1	792237678	HGMFJPDKYRHYRP-UHFFFAOYSA-N	317.410	3.038	10	20	DGCD	
CCN(C)c1ccc(CN2CCC(N(CC)CC)CC2)cc1	1322106586	HDJBESIUELOZDY-UHFFFAOYSA-N	303.494	3.449	10	20	DGCD	
Cc1cc(C(=O)N2CC[C@@H](F)C2)c(C)n1-c1ccc(F)cc1	1324679129	SZXJREWPHATWEQ-CQSZACIVSA-N	304.340	3.417	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@H]1CCN1Cc1ccccc1	716237819	LTJZQMLUFYKEOS-MRXNPFEDSA-N	316.832	3.410	10	20	DGCD	
CC1(C)C[C@@H](NC(=O)NCc2ccc(N)cc2)c2ccccc21	1357667240	BMZUGWPMUAAJBD-QGZVFWFLSA-N	309.413	3.491	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1CC[C@H](C(=O)O)c2ccccc21	1600604609	MPYZAGOVCDLPTJ-WLMCBFPDSA-N	322.364	3.008	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)[C@H](Cc2ccccc2)C(=O)O)c1	1600464649	HIGUMJXUHQMHIJ-YOEHRIQHSA-N	313.397	3.122	10	20	DGCD	
O=C(O)CN(Cc1ccc(Cl)cc1)Cc1cc(F)ccc1O	1602059345	NDIIQZLONUGTFN-UHFFFAOYSA-N	323.751	3.272	10	20	DGCD	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1592259268	KPOBGAYPDFFRNW-OLZOCXBDSA-N	323.400	3.293	10	20	DGCD	
CC[S@@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1	162861226	HVINVHLMRQQWPS-WSTXMBPASA-N	322.518	3.483	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCC(=O)N2CCCCC2)cc1	163500606	LCQDSSXMJNJOGJ-INIZCTEOSA-N	317.477	3.196	10	20	DGCD	
CC[C@@H](O)CCN[C@H](CC)c1cc(Br)ccc1O	119247152	AMYGWNCQHJWMFY-DGCLKSJQSA-N	316.239	3.356	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CCC[C@H](O)C1	230670693	ZXSQYNSVLWIDLW-CABZTGNLSA-N	304.217	3.340	10	20	DGCD	
CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nccs2)cc1	48874176	VWWREXQEIKHOGY-JTQLQIEISA-N	306.412	3.465	10	20	DGCD	
CCCCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	72576678	NQKIZNPHIYNHNG-GOSISDBHSA-N	318.461	3.450	10	20	DGCD	
CC[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(OC)c1O	73748200	CQTMCFSEBVSMJE-GXTWGEPZSA-N	306.406	3.169	10	20	DGCD	
Cc1cc(NCc2ccc3c(c2)CCCN3C)ncc1[N+](=O)[O-]	74744766	WYCCKURMSUHQLD-UHFFFAOYSA-N	312.373	3.293	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(CC)CC1	79129497	KRQHSSZQROOCBI-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
COc1cccc(CN2CCO[C@H](c3cccc(F)c3)C2)c1O	92975756	NDTCHHOMFKRJTQ-KRWDZBQOSA-N	317.360	3.113	10	20	DGCD	
CCCOc1ccc(CNC[C@H](c2ccco2)N(C)C)c(O)c1	101589050	BRBKBMYOEZNMRX-MRXNPFEDSA-N	318.417	3.167	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2cccn2C)c(C)n1-c1ccccn1	158447221	FHQSUPWJIFHOTK-UHFFFAOYSA-N	322.412	3.100	10	20	DGCD	
C[C@@H](NCc1ccccc1O)c1nc(-c2cccc(F)c2)no1	174668197	RGQIFYAQXUTOIE-LLVKDONJSA-N	313.332	3.432	10	20	DGCD	
C[C@@H](NCC1(C)OCCO1)c1ccc(N2CCCCCC2)cc1	179575492	LEJLTWJKCRMSNU-MRXNPFEDSA-N	318.461	3.481	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(C(=O)OC)o1	180510560	YXAQLOROWVEKJP-UHFFFAOYSA-N	316.401	3.154	10	20	DGCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1F	180597945	OQHGNBZXPCRYLO-KFEJWOFMSA-N	319.307	3.267	10	20	DGCD	
CC[C@@H](NC[C@@H](O)COc1cccc(C)c1)c1ccccc1O	183316503	IHPWEAXZIGVBPR-CRAIPNDOSA-N	315.413	3.181	10	20	DGCD	
Cc1ccc([C@H](C)NC2CCN(CC(F)(F)F)CC2)c(O)c1	185291508	OXZRJDPAWXTCBX-LBPRGKRZSA-N	316.367	3.378	10	20	DGCD	
C[C@@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1O	187828068	QPBFPMJBRLWMGG-JUTNTEDWSA-N	309.356	3.279	10	20	DGCD	
Cc1cc(C(=O)Nc2cnns2)c(C)n1-c1ccc(F)cc1	189558657	YXQUDYPTUWXKNL-UHFFFAOYSA-N	316.361	3.337	10	20	DGCD	
CC[C@H](C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	189695732	IWVCVXZERXKJRC-HOCLYGCPSA-N	305.418	3.336	10	20	DGCD	
Cc1ccc(C(=O)CCC(=O)NCCc2ccc(N)cc2)cc1C	237836471	ITJPBTRFXJCUSJ-UHFFFAOYSA-N	324.424	3.207	10	20	DGCD	
CCCCNC(=O)C1CCN(Cc2c(O)cccc2Cl)CC1	271094897	YDWZGFGVKLSUTC-UHFFFAOYSA-N	324.852	3.174	10	20	DGCD	
C[C@@H]1C[C@H](CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCO1	273388109	DELXEWBNAAUWLU-JHJVBQTASA-N	308.378	3.156	10	20	DGCD	
COc1ccc([C@H](O)CN[C@@H](C)c2ccc(C)c(C)c2O)cc1	273415877	QXEPICARAHCEKL-KBXCAEBGSA-N	315.413	3.402	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCOC2CCCC2)c1	273585163	NOXOVKIAMYYZNY-CYBMUJFWSA-N	321.417	3.179	10	20	DGCD	
CCc1cnc(CN[C@H](C)c2cc(C(=O)OC)ccc2O)s1	273588337	OKQRGDYPLNTJEJ-SNVBAGLBSA-N	320.414	3.049	10	20	DGCD	
Cn1ccc(/C=C/C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1	276838838	CIXAXHLFCPKSFI-LHRNQBEKSA-N	306.365	3.145	10	20	DGCD	
O=C(/C=C/c1cncs1)NCc1c(O)ccc2c1CCCC2	282022257	SGDJUEIMUZATJR-SOFGYWHQSA-N	314.410	3.057	10	20	DGCD	
C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(Cl)ccc1O	282658906	IILIVWABXZNPCI-SNVBAGLBSA-N	308.813	3.243	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)c2c(F)cncc2F)c1	285698361	OQYODNZJMPWKBY-ZJUUUORDSA-N	308.328	3.486	10	20	DGCD	
COc1cccc(N2CC[C@@H](N[C@@H]3CCc4cccc(O)c43)C2)c1	296225446	AHJOOFWKVUMHTQ-CRAIPNDOSA-N	324.424	3.257	10	20	DGCD	
Cc1c(CNC(=O)c2ccc3n[nH]cc3c2)n(C)c2ccccc12	526934401	OCMYXYKFWVOQAZ-UHFFFAOYSA-N	318.380	3.293	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@H]1C[C@H]2CC[C@H]1C2	588404880	VJUFPNWMMBXVOX-UVQUYYEQSA-N	301.386	3.054	10	20	DGCD	
Oc1cccc(Br)c1CN[C@H]1CCCSC1	706871984	ARUHUUWAQAEOAK-VIFPVBQESA-N	302.237	3.140	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)CCC(C)C)CC2)cc1	726562533	LZJYIXFHCAATQV-UHFFFAOYSA-N	304.434	3.216	10	20	DGCD	
CCN(CC)[C@@H](CNC(=O)c1cc(O)cs1)c1ccsc1	731869247	DMRBIJGFRBPTIZ-ZDUSSCGKSA-N	324.471	3.328	10	20	DGCD	
CCn1c(/C(Cl)=C\c2cn(C)nn2)nc2c(F)cccc21	741467483	OOGTZULXROHQIS-JXMROGBWSA-N	305.744	3.061	10	20	DGCD	
O=C(NCCc1ccccc1)NCc1c(O)ccc2c1CCCC2	743502825	JJDOQFGWAZBZGO-UHFFFAOYSA-N	324.424	3.313	10	20	DGCD	
CCCN1CC[C@H](CN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)C1	756450211	RCEJVFWOIBZPOC-GUTXKFCHSA-N	306.425	3.401	10	20	DGCD	
COc1ccc(COC(=O)c2cccc(O)c2O)cc1Cl	758560518	LYUGNJQBFDEDRQ-UHFFFAOYSA-N	308.717	3.117	10	20	DGCD	
COc1cccc(O)c1CN(C)CCOc1ccccc1F	768211608	AERFICDDYLSYCV-UHFFFAOYSA-N	305.349	3.051	10	20	DGCD	
CCCN(Cc1ccc2c(c1)nnn2C)Cc1ccccc1O	768531018	STYSIOZGUKZGIZ-UHFFFAOYSA-N	310.401	3.086	10	20	DGCD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C	772946165	HUKRFUHEOCOFRR-VQIMIIECSA-N	300.446	3.367	10	20	DGCD	
C[C@@H](NC(=O)CCc1cscn1)c1ccc(N(C)C)cc1	773023856	KSYYPOGVLPNTNT-GFCCVEGCSA-N	303.431	3.019	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCC[C@H](C)CC2)c1O	775106814	KHWKKYZRDXMAEG-AAEUAGOBSA-N	308.378	3.367	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC=CO1	777848050	UHUCRJCMHCPDAE-SFHVURJKSA-N	314.429	3.328	10	20	DGCD	
CN1CCN(c2ccc(CNc3cccc(Cl)n3)cc2)CC1	785722875	PSPGHZNVXIIJHI-UHFFFAOYSA-N	316.836	3.099	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c(O)c1	792934981	BJFIMYPRNCAJIH-YWPYICTPSA-N	306.406	3.025	10	20	DGCD	
CCOc1cccc(CNC[C@H](O)c2ccc(CC)cc2)c1O	796452806	XVFLOSLQZSJMLH-KRWDZBQOSA-N	315.413	3.177	10	20	DGCD	
COc1ccccc1O[C@H]1CCCN(Cc2ccccc2O)C1	809711369	VOZSLGKPDUQUGK-INIZCTEOSA-N	313.397	3.444	10	20	DGCD	
COC1(COC(=O)c2cc(C)n(-c3ccccn3)c2C)CCC1	811174429	PGRBZHGNIMOGRL-UHFFFAOYSA-N	314.385	3.215	10	20	DGCD	
COc1ccc(O)c(CNc2cc(C)c([N+](=O)[O-])cc2F)c1	812458569	GMDCZWHOUOELBX-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCCc3ccccc32)cc1	817938530	MMOZDKDCAJXQLR-UXHICEINSA-N	309.457	3.420	10	20	DGCD	
Cc1cc([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)oc1C	817941879	LHYQUQDMFGWJEB-SUMWQHHRSA-N	301.434	3.313	10	20	DGCD	
CC(C)C[C@@H](CN)N[C@@H](C)c1cccc(C(F)(F)F)c1O	817959890	WHVKONDROZCXQH-QWRGUYRKSA-N	304.356	3.435	10	20	DGCD	
CC(C)Cc1ccc(C(=O)NCc2ccc(O)cc2O)s1	822971271	BLSXFOZOWGGJOX-UHFFFAOYSA-N	305.399	3.288	10	20	DGCD	
Cn1ccnc1[C@@H]1N(Cc2cc(Cl)ccc2O)CC1(C)C	824620361	LOEIWGKDWBPWTH-AWEZNQCLSA-N	305.809	3.362	10	20	DGCD	
C[C@H](NCc1nc(N)c2ccccc2n1)c1ccc(N(C)C)cc1	839563184	HSDJDFZPCIQWPL-ZDUSSCGKSA-N	321.428	3.129	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CSC(C)C	839916263	QKCDSBZFUFYXQF-CQSZACIVSA-N	308.491	3.250	10	20	DGCD	
C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1O	841747454	RATUTTALHGDXLG-KOLCDFICSA-N	322.758	3.333	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc(Cl)cc2O)c(OC)n1	841758055	ROBDTSIYCLLAKR-SNVBAGLBSA-N	322.792	3.309	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](C)N2CCCC[C@@H]2C)c1O	846139869	VYEYPRYOEJJXGZ-KKUMJFAQSA-N	306.450	3.314	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)[C@H](O)c2cccc(F)c2)c1O	846153197	FXWQDKCAQBSRMO-JKDFXYPNSA-N	319.376	3.313	10	20	DGCD	
CN(C)c1cc(F)c(CNCC[C@@]2(O)C[C@H]3CC[C@H]2C3)cc1F	858167761	YBUOHLJDIKHTJB-XAYKYTGQSA-N	324.415	3.062	10	20	DGCD	
CC(C)Oc1ncc(C(=O)N(C)c2ccc(N)cc2)cc1Cl	877075305	CHDMHXWFMDRYPJ-UHFFFAOYSA-N	319.792	3.381	10	20	DGCD	
CC[C@@](C)(NC(=O)Cc1ccc(N)cc1)c1ccc(F)cc1	877132964	SEULLCLQDMVOTQ-GOSISDBHSA-N	300.377	3.392	10	20	DGCD	
Cc1ccc(NC(=O)Cc2ccc(N)cc2)cc1N1CCCC1	877455562	MDXNBLBGYIWFEM-UHFFFAOYSA-N	309.413	3.359	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](C(C)(C)C(=O)O)C2)cc1F	901523789	YRSHIYRPVCVQPD-CQSZACIVSA-N	322.424	3.215	10	20	DGCD	
COc1ccc(CN[C@@]2(C(=O)O)CCc3ccccc32)cc1C	901667058	WCXUXHVDKIKNQZ-IBGZPJMESA-N	311.381	3.020	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2cc(CO)on2)cc1F	925014394	QEMHKOVCKUUXLC-GFCCVEGCSA-N	321.396	3.003	10	20	DGCD	
CC(C)[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1cnn(C)c1	927071781	UQERARPRBCVEBL-ZBEGNZNMSA-N	318.377	3.082	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1CCOC2(CCC2)C1	1337738024	RZWZFRCAKKYITH-SECBINFHSA-N	321.764	3.164	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)C[C@H](O)Cc1ccccc1	1347709747	QDXAACOJERZVKE-OAQYLSRUSA-N	324.468	3.322	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H](CC(=O)O)c3ccccc32)cc1	1598318289	VKVYNRMBIGFCJE-OAHLLOKOSA-N	310.397	3.331	10	20	DGCD	
C[C@@H](CN(C)c1ccc(OCC(=O)O)cc1)CC(F)(F)F	1776419317	FDVJBBNIPBHTRM-SNVBAGLBSA-N	305.296	3.175	10	20	DGCD	
CCCSC[C@@H](NCc1ccc(N(CC)CC)cc1)C(=O)O	1776826330	WIZVHVUQLYFIDF-MRXNPFEDSA-N	324.490	3.219	10	20	DGCD	
Cc1cccc(CN[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1O	309724040	MZVAMLSBTNOMES-APWZRJJASA-N	310.441	3.453	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]12CCc1ccccc12	175507416	APTAPWISFQDQSR-YLJYHZDGSA-N	307.393	3.255	10	20	DGCD	
C[C@H]1CCN(Cc2cccc(Cl)c2O)C[C@@H]1n1ccnc1	180720073	PNIDRYUWTMGIGT-WFASDCNBSA-N	305.809	3.325	10	20	DGCD	
COC(=O)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1	321406820	ISPZBUPNFQQSQM-KSSFIOAISA-N	312.413	3.318	10	20	DGCD	
CCN(CC)c1ccc(CNCc2c(Cl)cnn2C)cc1F	131381250	LRBCXSNRQYRYEU-UHFFFAOYSA-N	324.831	3.349	10	20	DGCD	
C[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1	46984120	IIKAUHOAHCYFKE-HNNXBMFYSA-N	301.434	3.371	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C	190038297	HJBWEDGEACTLQP-KBPBESRZSA-N	321.465	3.316	10	20	DGCD	
CCCCO[C@H]1C[C@@H](NCc2cccc(OC)c2O)C1(C)C	236864329	WLNICQRQJIHVRJ-CVEARBPZSA-N	307.434	3.474	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)c2cc(F)ccc2OC)c1	237206145	UWSQJDHTXDUDBQ-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
COC[C@@H](O)CCN[C@@H](C)c1ccc(N2CCCCCC2)cc1	90952799	UYIANTVNUQJWTQ-LPHOPBHVSA-N	320.477	3.115	10	20	DGCD	
C[C@@H]1C(=O)CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1(C)C	275565371	WUTSIRSRIGDCHL-CZUORRHYSA-N	316.445	3.010	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)c(O)c1	285021606	KAEVDTDHNOWZMU-WMZOPIPTSA-N	305.418	3.324	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](F)C(F)(F)F)cc1	809974491	ZZKWUKWHVQAACO-ZDUSSCGKSA-N	320.330	3.392	10	20	DGCD	
COC1CCN(c2ccc(CN3CC=C(C)CC3)cc2)CC1	294877468	DWNIHBPRMSLVPF-UHFFFAOYSA-N	300.446	3.454	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cc(F)cnc2Cl)c1	295182537	VYLGQVIAHVUWOL-VIFPVBQESA-N	310.756	3.439	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]3C[C@H]32)cc1	806465377	VKPFBJZQYDWIQQ-DOTOQJQBSA-N	301.434	3.227	10	20	DGCD	
CC(C)c1ccc(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1	819009391	MLLUNBQBNOFJMN-UHFFFAOYSA-N	324.380	3.484	10	20	DGCD	
COc1ccccc1NC[C@@H](O)COc1ccc(SC)cc1	819394193	SJHBUEJFUCNVPM-CYBMUJFWSA-N	319.426	3.269	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)c3cnn(C)c3Cl)cc12	817761539	MIYBGNOXMKBOPP-UHFFFAOYSA-N	317.776	3.401	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NCCc1ccc(N)cc1	817956136	RODPJDXVGGRNIK-LAUBAEHRSA-N	323.484	3.312	10	20	DGCD	
CC[C@](C)(CNCc1cc(Br)cc(C)c1O)OC	824743543	FVFZKAZFTIUNNK-CQSZACIVSA-N	316.239	3.368	10	20	DGCD	
COc1cccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1	733029699	KKBIZFQCIYPUFE-UHFFFAOYSA-N	311.429	3.321	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCc1cccc(F)c1F	732893195	AOMYBCBPYHXMRR-UHFFFAOYSA-N	320.339	3.055	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C(=O)O)c2ccccc2F)c1	833734030	ZTVKOONQUVNROE-QLJPJBMISA-N	319.332	3.016	10	20	DGCD	
C[C@@H](CCCc1cccnc1)NCc1cc2c(cc1O)OCO2	839150784	NIGIDTPBIXEXID-ZDUSSCGKSA-N	314.385	3.017	10	20	DGCD	
CCc1ccc(O)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1	748842031	VBQRBTAQSDFELO-UHFFFAOYSA-N	316.376	3.090	10	20	DGCD	
Cc1cccc2c(CCNC(=O)c3cc(O)cs3)c[nH]c12	743549353	PLPBOHFQYBQQPE-UHFFFAOYSA-N	300.383	3.216	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@@H]1CCCN1	843048026	JOJXUOCTUHQDSY-KBPBESRZSA-N	312.816	3.291	10	20	DGCD	
COc1ccc(CNC(=N)Nc2ccc3c(c2)CCC3)c(O)c1	849024986	IMAUUURMRGEEKV-UHFFFAOYSA-N	311.385	3.026	10	20	DGCD	
CCc1cccc(CN2C[C@@H](NC(C)=O)Cc3ccccc32)c1O	848900059	AIFFRXIULPVIMH-SFHVURJKSA-N	324.424	3.022	10	20	DGCD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCCc1ccc(N)cc1	841850226	FVHVEJKGNWXVOO-CZUORRHYSA-N	303.450	3.325	10	20	DGCD	
CC(C)(C)c1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)co1	922546146	YTNCHNGQGYQOGY-FNORWQNLSA-N	317.341	3.140	10	20	DGCD	
CCCN(CC(=O)NC1CCCCCC1)Cc1ccccc1O	750874948	JWGZYERKRJGFBG-UHFFFAOYSA-N	318.461	3.443	10	20	DGCD	
COc1cc(CNCCCN2CCCC2)c(O)c(C(C)(C)C)c1	850014048	SHEICCHRDIXTEO-UHFFFAOYSA-N	320.477	3.274	10	20	DGCD	
C[C@H](NCC=C(Cl)Cl)c1ccc(N2CCOCC2)cc1	851895110	BUYAEILYJACMLV-LBPRGKRZSA-N	315.244	3.493	10	20	DGCD	
COc1ccc(CNCc2ccc([S@@](C)=O)cc2)cc1C	751991561	WAQDBWXFHFXGHP-OAQYLSRUSA-N	303.427	3.031	10	20	DGCD	
CCC/C(C)=C/C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753731251	KUADEXKOKXPIKC-WYMLVPIESA-N	320.408	3.229	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H](C3CCC3)C3CC3)cc2)CC1	850568375	WNDGRQKPUNUQMP-HXUWFJFHSA-N	314.473	3.316	10	20	DGCD	
C[C@H](N[C@H](C)C[C@@H](O)c1ccco1)c1cc(F)cc(F)c1O	756677181	PZVGMFOMHLEBCX-ISTVAULSSA-N	311.328	3.426	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)C12CCC2	756615095	VSFPVORDWWUSAF-XFBWCDHKSA-N	320.389	3.299	10	20	DGCD	
OCCC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1	768236932	MWGZRDFHFXDXRY-UHFFFAOYSA-N	304.217	3.293	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)cs1	760491790	MZVOLZJYUYDADP-QMMMGPOBSA-N	311.790	3.174	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)C[C@@H]2CCCC(=O)N2)cc1	876945427	YLGQLVRUKWIVAO-RDJZCZTQSA-N	317.477	3.070	10	20	DGCD	
Cc1cccc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)c1O	776094608	RAPMXRFZYLHMET-KRWDZBQOSA-N	312.413	3.010	10	20	DGCD	
CC[C@H](NCc1ccc(C(N)=O)cc1)c1cc(Cl)ccc1O	775482901	GDZLGXWEOYWOIG-HNNXBMFYSA-N	318.804	3.385	10	20	DGCD	
C[C@@H](NC[C@H]1CC1(C)C)c1ccc(N2CCOCC2)c(F)c1	772979833	XABGCZXBIISTJB-UKRRQHHQSA-N	306.425	3.359	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1cc(CO)ccn1	881776146	BJYCKCRJAARJGY-UHFFFAOYSA-N	311.429	3.201	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc3nc(C)ccc3c2)c(O)c1	794373909	OLOYYSMSTXOLEN-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
COc1cccc(CNCc2nc3c(s2)C[C@@H](C)CC3)c1O	1327419045	CWQHMIJKGCXSKG-NSHDSACASA-N	318.442	3.272	10	20	DGCD	
O[C@@]1(CCNCc2ccc(N3CCCC3)cc2)C[C@H]2CC[C@H]1C2	1347514554	PBDSZACEEDWFMU-BJLQDIEVSA-N	314.473	3.318	10	20	DGCD	
C[C@@H](NCc1nc(C2CC2)cs1)c1cc(C(=O)O)ccc1O	1604348409	GFOSOGDXHGQLDT-SECBINFHSA-N	318.398	3.275	10	20	DGCD	
Cc1cc(CN2CC[C@@H](C(=O)O)[C@H]2C)c(O)c(C(C)(C)C)c1	1610461090	IUKCHHQWSVDSJU-TZMCWYRMSA-N	305.418	3.293	10	20	DGCD	
CN(C)c1cc(NC(=O)Cc2ccc(N)cc2)ccc1Cl	1578422838	IKLAZARSSXGNJG-UHFFFAOYSA-N	303.793	3.169	10	20	DGCD	
C[C@@H](COc1ccccc1)N[C@H](C)c1cc(C(=O)O)ccc1O	1592782808	MBPSHKDUXAPRPV-QWHCGFSZSA-N	315.369	3.209	10	20	DGCD	
C[C@H](N[C@H]1CCCC12CCOCC2)c1cc(C(=O)O)ccc1O	1593225807	YJQAKCYUCLTLPA-LRDDRELGSA-N	319.401	3.090	10	20	DGCD	
CCc1cnc(CNCc2cc(Cl)cc(OC)c2O)s1	230935049	UZDXYOLXXDKNRR-UHFFFAOYSA-N	312.822	3.363	10	20	DGCD	
CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(N(C)C)cc1	28397042	BSAGGLRYMVSSTQ-UHFFFAOYSA-N	313.401	3.335	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1scnc1C	46783842	ASUBGOYTZQSDNG-UHFFFAOYSA-N	303.431	3.180	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)c2ccccn2)c(C)n1-c1ccccn1	60855920	MVTGMSISEYJDHV-CQSZACIVSA-N	320.396	3.375	10	20	DGCD	
CC(C)N(CCC(=O)O)Cc1cc(Cl)cc(Cl)c1O	86748389	VRBPLUCEVNHDIU-UHFFFAOYSA-N	306.189	3.384	10	20	DGCD	
CCOc1ccc(O)c(CN(C)Cc2ncc(CC)s2)c1	93807701	MZVOPXLNDUPTRZ-UHFFFAOYSA-N	306.431	3.442	10	20	DGCD	
CCC[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	98074608	WCYVGXAPGBSJBI-INIZCTEOSA-N	313.397	3.340	10	20	DGCD	
CN(C)c1ccc(CNC[C@](C)(O)c2ccc(F)cc2F)cc1	114509714	IDMHIQZZOTYEPP-SFHVURJKSA-N	320.383	3.028	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C#N)ccc2F)cc1OC	140317884	UNJWQHOZYDDWSE-UHFFFAOYSA-N	300.333	3.351	10	20	DGCD	
C1=CCN(c2ccc(CNc3ncnc4c3CCCC4)cc2)C1	153144407	NLRZZPJGBMFOSZ-UHFFFAOYSA-N	306.413	3.344	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CCCCO2)cc1	171850474	CNLGVTWYFUCWOU-SFHVURJKSA-N	318.461	3.498	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cccc(N)c2)cc1F	178768440	ZWTPLJXITJUPCR-UHFFFAOYSA-N	315.392	3.184	10	20	DGCD	
COc1cc(O)c(CN2CCCC[C@H](SC)C2)cc1OC	180763370	LGGRHUZMDXFCBO-ZDUSSCGKSA-N	311.447	3.127	10	20	DGCD	
Cc1cc(F)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	190922621	HFXREGQFFJWNGE-NSHDSACASA-N	318.348	3.298	10	20	DGCD	
COc1cc(CN2CCC(c3ccncc3)CC2)c(O)cc1C	191290134	WDFNLQASTGEFSV-UHFFFAOYSA-N	312.413	3.484	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCNC(=O)OC(C)(C)C	230660217	LKXOVHJNZNNSKR-OLZOCXBDSA-N	320.433	3.363	10	20	DGCD	
Nc1ccc(CC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1	237881036	IWTDMZYSAXGOQM-LJQANCHMSA-N	324.424	3.019	10	20	DGCD	
COc1cc(O)c(CN2CC=C(C(F)(F)F)CC2)cc1OC	271099393	OMNXALROBUVLCO-UHFFFAOYSA-N	317.307	3.104	10	20	DGCD	
CCCOc1ccc(CNCC[C@@H]2CCO[C@@H](C)C2)c(O)c1	273028955	FWWPWYXNPXKFOC-LSDHHAIUSA-N	307.434	3.476	10	20	DGCD	
CC[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O	286002648	HPUCNSFUTCHBLS-RDJZCZTQSA-N	321.367	3.315	10	20	DGCD	
Cc1ccc(O)c(CN(C)CCc2nc(-c3ccccc3)no2)c1	289640985	MIIGBJPSMFIQKJ-UHFFFAOYSA-N	323.396	3.425	10	20	DGCD	
COc1ccc(N(C)Cc2cc(OC)c(O)c(OC)c2)cc1F	290477972	VDEKNARFABLBND-UHFFFAOYSA-N	321.348	3.194	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCCn1cnc3ccccc31)CC2	296218071	ZSBDSBRMOHAUBY-INIZCTEOSA-N	307.397	3.409	10	20	DGCD	
Nc1ccc(CNC(=O)C2(Cc3cccc(F)c3)CCC2)cc1	297349141	ZAHWXKLZCSWIJW-UHFFFAOYSA-N	312.388	3.437	10	20	DGCD	
CCC1(C(=O)NCc2c(C)c3ccccc3n2C)CCOCC1	348636327	XLOFWNUZFYSMEH-UHFFFAOYSA-N	314.429	3.310	10	20	DGCD	
c1coc([C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c1	371332708	QXEBYYGOKQYFGV-KRWDZBQOSA-N	312.413	3.106	10	20	DGCD	
CCc1nnc(CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)s1	391877719	RUCJBTUSCRPERW-QWRGUYRKSA-N	303.431	3.453	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCCc2ccccc21	588403777	ZASIVRACVUGVIF-SLWQEBJJSA-N	323.392	3.347	10	20	DGCD	
CCOc1ccc(NC(=S)NCc2cccc(F)n2)cc1	747721024	JZBZOGCBHOZLCG-UHFFFAOYSA-N	305.378	3.106	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ncccc1OC	753938743	BDYZKNWTFBZRPA-UHFFFAOYSA-N	315.373	3.240	10	20	DGCD	
C[C@H]1CCc2ccccc2N1C(=O)COc1ccc(N(C)C)cc1	757701831	CUQQVHVOYMTOEM-HNNXBMFYSA-N	324.424	3.499	10	20	DGCD	
O=C(OCc1ncc(Cl)cc1Cl)c1cccc(O)c1O	758559020	PCXKZVFLNBIHNW-UHFFFAOYSA-N	314.124	3.157	10	20	DGCD	
O=[N+]([O-])c1cc(CNc2ccon2)ccc1N1CCCCC1	766108665	FLCQBTJEDJOMCB-UHFFFAOYSA-N	302.334	3.185	10	20	DGCD	
COc1cccc(O)c1CN1CCO[C@](C)(c2ccccc2)C1	769399363	PKGVBHPHCURGLH-IBGZPJMESA-N	313.397	3.148	10	20	DGCD	
CCN(CC)c1ccc(CN2CCOC[C@@H]2C2CC2)cc1F	769483689	AKPOJRHDKHTCAX-GOSISDBHSA-N	306.425	3.283	10	20	DGCD	
C[C@H](NC(=O)COc1ccccc1F)c1ccc(N(C)C)cc1	773001573	VAPIHZPPJNNWEF-ZDUSSCGKSA-N	316.376	3.148	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1C[C@H](C)Oc2ccccc21	776839128	OVWVLZOCZJWBDO-TVRMLOFPSA-N	300.383	3.279	10	20	DGCD	
Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)ccc1O	779537901	RRTKYZAYCNVGCM-UHFFFAOYSA-N	311.381	3.215	10	20	DGCD	
O=C(N[C@@H]1CCc2c(Cl)cccc21)c1c(F)ccc(O)c1O	789963123	IDAZQEOQHRZCQF-GFCCVEGCSA-N	321.735	3.308	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H](C)O1	792761140	JRRQPEAZTGUUNY-TXEJJXNPSA-N	316.367	3.381	10	20	DGCD	
CC[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1O	796860692	XPLZWVJXXMHERI-ZDUSSCGKSA-N	316.332	3.425	10	20	DGCD	
O=C(C[C@H]1CCCOC1)NCc1cc(Cl)cc(Cl)c1O	807836752	NMTFURXTRYGXEI-SECBINFHSA-N	318.200	3.132	10	20	DGCD	
CC(C)(CO)[C@@H](NCc1c(O)ccc(Cl)c1F)C1CC1	811518606	MLJUPHZDICCVBE-AWEZNQCLSA-N	301.789	3.071	10	20	DGCD	
Cc1ccc2c(c1)/C(=C/c1cc(O)ccc1[N+](=O)[O-])C(=O)N2C	811699971	BWNLHRYTSVDLIS-ZROIWOOFSA-N	310.309	3.126	10	20	DGCD	
CN(Cc1cc(Cl)c(F)cc1O)C[C@@H](O)Cc1ccccc1	816625245	XYTVPVVYKAVHFX-AWEZNQCLSA-N	323.795	3.220	10	20	DGCD	
C[C@H](NC[C@H](N)C1CC1)c1ccc(N2CCCCC2)c(F)c1	817965613	SCYGDSOZGTYXLM-GUYCJALGSA-N	305.441	3.204	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H](N)C1)c1ccc(Br)cc1O	817970428	VDZGTFXEUCMYKY-MVWJERBFSA-N	313.239	3.075	10	20	DGCD	
COc1ccc(N2CCCN(Cc3ccncc3C)CC2)cc1	823419373	ZUUNYNINQBHBNF-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](CO)c2ccccc2)cc1Cl	825327517	YGSYXZHZMMZTBS-OAHLLOKOSA-N	305.805	3.220	10	20	DGCD	
CC(C)CC(CC(C)C)C(=O)NCCc1ccc(O)c(O)c1	827085404	SPAWXGRPTPICDE-UHFFFAOYSA-N	307.434	3.465	10	20	DGCD	
CC[C@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1O	828554957	INVVUMKCAGJONS-HKUYNNGSSA-N	302.462	3.188	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(C(=O)O)s2)c1	833733807	QSMHJHCWWVSECV-SECBINFHSA-N	307.371	3.011	10	20	DGCD	
COc1cccc(CN[C@@H](C(C)C)C2(CO)CCCC2)c1O	835066409	PKRRGFZBWJPOMS-KRWDZBQOSA-N	307.434	3.068	10	20	DGCD	
CC(C)[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1	836621633	OWMFELCRUXRCAJ-RDJZCZTQSA-N	303.450	3.186	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCOCC(C)C	839916454	TZBKLNSHBGQWEB-INIZCTEOSA-N	320.477	3.171	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](C)C1	840479628	PWJSIIUKKRSIMO-ZFWWWQNUSA-N	303.450	3.043	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCCNCC2)c(C(F)(F)F)c1	841058752	UAJUBADHVMBKNZ-CYBMUJFWSA-N	315.383	3.003	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](CC(C)C)C(=O)O)cc1	841815700	JHFOQVWWETYKLB-MRXNPFEDSA-N	306.450	3.369	10	20	DGCD	
COc1cc(CN2C[C@@H]3[C@@H](C2)C3(F)F)c(O)c(C(C)(C)C)c1	844752568	OVEWYMHNHPWSJF-ZIAGYGMSSA-N	311.372	3.395	10	20	DGCD	
COc1cccc([C@@H](C)NCCCCCN2CCCC2)c1O	846172167	XBGKFHOOQDJYTC-OAHLLOKOSA-N	306.450	3.318	10	20	DGCD	
CCc1cccc(CN(CCO)[C@@H]2CCc3ccccc32)c1O	848887274	RVCJBUPHTAYYPT-LJQANCHMSA-N	311.425	3.436	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](C)[C@H]2CCCN)c1O	852760006	TUFDAKUOFYUBJN-SJKOYZFVSA-N	322.424	3.073	10	20	DGCD	
OC1CCN(c2ccc(CNc3cc4c(cn3)CCC4)cc2)CC1	877552878	HRJBEPNJUWDAHN-UHFFFAOYSA-N	323.440	3.144	10	20	DGCD	
Cc1cccc(O)c1CN[C@@H](C)CCCNC(=O)OC(C)(C)C	877557917	YZDNYORRPQMIEA-AWEZNQCLSA-N	322.449	3.484	10	20	DGCD	
Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cs1	880640615	QVPIPOSQHPIKGD-SECBINFHSA-N	306.387	3.220	10	20	DGCD	
COc1ccc([C@H](NCc2cc(F)cc(F)c2O)C2CC2)cn1	883192102	QUAHFTRSAZZISG-MRXNPFEDSA-N	320.339	3.315	10	20	DGCD	
CN(Cc1cc(F)cc(F)c1O)Cc1cc(Cl)cn1C	894095314	QTZONTFGZLFQLE-UHFFFAOYSA-N	300.736	3.294	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)[C@H](O)c2ccc(C)cc2)c1O	894747774	NOHPANYRAPBQDK-KSSFIOAISA-N	315.413	3.229	10	20	DGCD	
CCn1ncc(-c2nc(Cc3ccc(N)cc3)no2)c1C1CC1	904076495	CGFLYOOIEZQCRT-UHFFFAOYSA-N	309.373	3.003	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1ccc(Cl)s1	910946385	NQEMNOHWSDPVLL-GHMZBOCLSA-N	323.801	3.233	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)Cc2ccoc2)cc1	918780611	CHASTWUHPIWMFR-UHFFFAOYSA-N	315.417	3.467	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2cccn2cn1	930905707	LIXWYAFSQJIELG-UHFFFAOYSA-N	322.412	3.063	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CC4CCC3CC4)ccc21	1116463476	BKMUTYUSBVTEPI-UHFFFAOYSA-N	313.445	3.153	10	20	DGCD	
CCN1CCC[C@H](CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1	1116565795	XDISXFBNVGBZRE-NFAWXSAZSA-N	306.425	3.401	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](CO)CC(F)(F)F	1321037649	PVOARIQGWPCXDV-OUAUKWLOSA-N	303.324	3.152	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCN2CC=CC2)c1C	1322270078	ROSFLUNWSTXAQZ-UHFFFAOYSA-N	323.440	3.004	10	20	DGCD	
C[C@H](O)C[C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1	1324916589	WSUKORYZLVOFTG-QFBILLFUSA-N	302.462	3.412	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3cc(C)ccc32)c1	1331510107	CYPWWTNRRVGOAT-QGZVFWFLSA-N	310.397	3.496	10	20	DGCD	
CN(CCc1ccccc1)[C@H]1CCN(Cc2ccc(N)cc2)C1	1337837600	CWAAGJTYOMEPFN-FQEVSTJZSA-N	309.457	3.018	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccc(N)cc1)c1ccccc1OC	1346634194	SWXDESYAOBRTJP-INIZCTEOSA-N	313.401	3.228	10	20	DGCD	
CC[C@H](NCc1ccc(C(=O)O)cc1)c1ccc(F)cc1O	1589569861	LRALIVLWZLAPQX-HNNXBMFYSA-N	303.333	3.470	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(-c3nn[nH]n3)cc2)cc1	1590689009	KVTDQYSDWJMLNY-UHFFFAOYSA-N	322.416	3.325	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)c(C)c2)cc1OC	1599584394	QYXSWOMUAPKYQO-UHFFFAOYSA-N	315.369	3.347	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1776483089	QJBZNWVDNNXRCV-BONVTDFDSA-N	321.323	3.017	10	20	DGCD	
O=C(NCCCSc1nccs1)c1c(F)cccc1F	74136461	JEGIPTOIQCKVCB-UHFFFAOYSA-N	314.382	3.334	10	20	DGCD	
COc1ccc(N2CCN(c3ncccc3Cl)CC2)cc1	78256398	OWUFGKWMPGAHRI-UHFFFAOYSA-N	303.793	3.070	10	20	DGCD	
CC(C)c1noc(CCN[C@H](C)c2ccc(N(C)C)cc2)n1	89577874	RPOQRAVFMDTKQH-CYBMUJFWSA-N	302.422	3.152	10	20	DGCD	
COc1cccc(CNCc2cccc(OC(F)F)c2)c1O	105477687	MYQJSIJJSFEWAZ-UHFFFAOYSA-N	309.312	3.292	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)OCCC(C)C	115280975	PDTIZFDTNRTMMA-OAHLLOKOSA-N	306.450	3.128	10	20	DGCD	
C[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccncc1	129676305	HJHLENUKNFVGNA-OAHLLOKOSA-N	311.429	3.300	10	20	DGCD	
CC(C)c1noc([C@@H](C)N2CCOc3cc(N(C)C)ccc32)n1	130448349	WSDDREDCXKNGEP-GFCCVEGCSA-N	316.405	3.219	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1c(F)c(F)cc(F)c1F	176545770	CKMSHFDGMKBHHC-UHFFFAOYSA-N	313.250	3.221	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1	178535529	ADJXFVJFIJTYJO-CYBMUJFWSA-N	306.425	3.065	10	20	DGCD	
CC(C)c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)no1	179705073	VCDJUPIEWXPRMG-UHFFFAOYSA-N	313.401	3.328	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2scnc2c1	181011727	NIPRWMLUROEYOP-QHHAFSJGSA-N	312.350	3.359	10	20	DGCD	
Cc1cccc(CN2CCCN(Cc3ccccc3)CC2)c1O	183383371	XBIKEKKLYWHTRY-UHFFFAOYSA-N	310.441	3.409	10	20	DGCD	
COc1ccc(N2CCCN(C[C@H]3CCC(C)(C)O3)CC2)cc1	184665748	JNUDZTVBXWZMTJ-GOSISDBHSA-N	318.461	3.165	10	20	DGCD	
Fc1cc(F)c2c(c1)N(Cc1c[nH]nc1-c1cccnc1)CC2	187370117	PKMGAMXBHCYCMG-UHFFFAOYSA-N	312.323	3.313	10	20	DGCD	
CC(C)C(=O)NCCN[C@H](C)c1cc(Cl)c(Cl)cc1O	192604648	ZNHFNJWDKNFMHC-SECBINFHSA-N	319.232	3.122	10	20	DGCD	
COc1ccc(CN[C@H](C)[C@H](O)c2cccc(F)c2)cc1C	267168869	HLMTUDGOTNCWJF-ACJLOTCBSA-N	303.377	3.354	10	20	DGCD	
CCOc1cccc(CN2CCC(N3CCCCC3)CC2)c1O	271054108	YHICFOWFCANGGK-UHFFFAOYSA-N	318.461	3.241	10	20	DGCD	
Cc1ccc([C@H](C)NCc2cccnc2-n2cccn2)c(O)c1C	273298329	APQAZJLOEKFZLY-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
C[C@H](N[C@H](C)[C@@H]1CCOC1)c1cc(Br)ccc1O	273362085	ARPSNHRIPNTBGI-OUAUKWLOSA-N	314.223	3.230	10	20	DGCD	
C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O	273512991	RZNLSGQAPVHSGM-XPTSAGLGSA-N	311.303	3.194	10	20	DGCD	
COCC1(CN[C@@H](C)c2c(C)cc(C)cc2O)CCOCC1	294400758	SLXKUSADJKTYQC-HNNXBMFYSA-N	307.434	3.103	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H](O)c1c(F)cccc1Cl)CC2	296851391	NFZJJSOQHUWQIS-UKRRQHHQSA-N	321.779	3.495	10	20	DGCD	
COc1cccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1O	367687364	QJOVPEISUHOHCS-LSDHHAIUSA-N	305.418	3.039	10	20	DGCD	
CN(C)c1ccc(CN(c2ncnc3c2CCC3)C2CC2)cc1	733188122	IEBWQZROJVQYMH-UHFFFAOYSA-N	308.429	3.200	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc2ccccc2n1C	734406562	VKVWHFHYJCAPRN-UHFFFAOYSA-N	321.424	3.483	10	20	DGCD	
COC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)C	741612819	WEKOQKWHZDGMOE-GOSISDBHSA-N	314.429	3.495	10	20	DGCD	
CCCC(O)(CCC)CC(=O)NCc1ccc(N(C)C)cc1C	749238534	ACKGIJXINOUEMY-UHFFFAOYSA-N	320.477	3.399	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@]2(C)CCO[C@@H]2C)c1O	753577381	USAOUTTUXMMXGA-YGRLFVJLSA-N	314.223	3.120	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(F)c(F)c2)c1	756459810	XNHLUGRTQHCALG-JTQLQIEISA-N	321.323	3.308	10	20	DGCD	
COCCC(C)(C)C(=O)NCc1ccc(N2CCCCC2)cc1	759623570	WUQGZKKTANNDSL-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
CC[C@H](O)CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	763833171	MULLFWDNWRYICH-KRWDZBQOSA-N	314.429	3.293	10	20	DGCD	
C[C@H](NC(=O)CSCC(F)(F)F)c1ccc(N(C)C)cc1	773013175	JGRSAKCYIGXAAF-JTQLQIEISA-N	320.380	3.225	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@H](C)O1	773623370	HUTYISRCBOIGKP-JJRVBVJISA-N	319.449	3.023	10	20	DGCD	
C[C@H]1C[C@H](N[C@@H](CO)Cc2ccccc2)c2c(O)ccc(F)c21	775554955	QDPRQKHYKWTPDS-BJJXKVORSA-N	315.388	3.273	10	20	DGCD	
CCNC(=O)Nc1cccc(NC(=O)c2cc(O)cs2)c1C	791013198	UKKUFVPCJNUCEX-UHFFFAOYSA-N	319.386	3.156	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cc(C)ccc2C)c(O)c1	797606543	GYQWSPQNNGQKIR-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
CC(=O)C(=O)CSc1nnc(-c2cccc3ccccc23)o1	808022483	LUXOFLVWGVJJDJ-UHFFFAOYSA-N	312.350	3.140	10	20	DGCD	
COc1cccc(CN(C)Cc2ccc(CN(C)C)cc2)c1O	809738512	YBIGTZYNNBKAMF-UHFFFAOYSA-N	314.429	3.094	10	20	DGCD	
CC[C@@H](NCC[S@](=O)CC)c1ccc(C(F)(F)F)cc1O	810218181	PEWLDCLXCJBGIF-XUSGNXJCSA-N	323.380	3.220	10	20	DGCD	
CCc1noc(NCc2ccc(N(C)C)cc2C(F)(F)F)n1	814255480	PSGPSAHPOMMTLJ-UHFFFAOYSA-N	314.311	3.329	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)CCc3cncnc3)cc12	817762338	SOUNJUZTYODOLR-UHFFFAOYSA-N	309.369	3.123	10	20	DGCD	
CC[C@@H](NCC1CCNCC1)c1ccc(C(F)(F)F)cc1O	817941782	RNLQCQPFYOCZSZ-CQSZACIVSA-N	316.367	3.451	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCNC3(CCC3)C2)c2c(O)ccc(F)c21	817984882	BITYIFDGAIQULH-DYEKYZERSA-N	304.409	3.344	10	20	DGCD	
Oc1cc(Br)ccc1CN(CC(F)F)C1CC1	824761985	MEUPHOCOLYDOKM-UHFFFAOYSA-N	306.150	3.384	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc3c(c2)OCO3)cc1Cl	825049985	OKVUZHHGIVNLQG-UHFFFAOYSA-N	305.761	3.373	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C[C@]1(C)CC1(Cl)Cl	825481578	NWWJFHVCPAOIKR-CYBMUJFWSA-N	302.201	3.325	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C(C)C)[C@@H](C)N)cc1	826019839	LGHMETRFWGFVPY-QAPCUYQASA-N	319.493	3.111	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1O	827946878	UEAMMYHWKJQDKY-NVXWUHKLSA-N	324.424	3.092	10	20	DGCD	
CCCC[C@@H](CC)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832272529	GLYNJLLAEIZMKY-QAPCUYQASA-N	319.493	3.475	10	20	DGCD	
Cc1ccc(C[C@@H](CO)NCc2cc(C)c(C)cc2O)cc1C	835074043	QZLMULZSVWKHKD-IBGZPJMESA-N	313.441	3.319	10	20	DGCD	
CCn1ccc(CN[C@H](C)c2cc(Br)ccc2O)n1	840839989	CMMGCJVVSXRSEP-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cccc(-c2ncn(C)n2)c1	840937677	URTQLFHICGZFDN-UHFFFAOYSA-N	321.428	3.469	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCNC3(CCC3)C2)cc1	841090040	UAEUWFHGTYEMDK-QGZVFWFLSA-N	301.478	3.297	10	20	DGCD	
CCCN(Cc1ccc(N(CC)CC)cc1)C1CCNCC1	843045420	XMLUWZCIKMRVRC-UHFFFAOYSA-N	303.494	3.497	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC3(CCNCC3)C2)cc1F	843120176	LACYSMTVBVLSPF-UHFFFAOYSA-N	319.468	3.247	10	20	DGCD	
Cc1cccc(CN[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O	843417457	UOQXQBIXDRBHCD-KBPBESRZSA-N	322.449	3.482	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)CCc3ccccc32)cc1	843519993	PIWJOGVFBAHZSB-FQEVSTJZSA-N	308.425	3.273	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)c(O)c1	845972649	QQLABBUKOAWUQY-LBPRGKRZSA-N	317.385	3.356	10	20	DGCD	
COCOc1ccc(OC)cc1CN(C)c1ccc(OC)cc1	845998772	POXJJVBRPRFBSD-UHFFFAOYSA-N	317.385	3.323	10	20	DGCD	
C[C@H](N[C@@H](C)C1(CO)CC1)c1ccc(N2CCCCC2)cc1	850516117	JRWHKVRGMLHTQK-HOTGVXAUSA-N	302.462	3.489	10	20	DGCD	
Cc1ccc(O)c(CNC2CCN(CCC(F)(F)F)CC2)c1	858238939	FIQBZJHYKNJYHD-UHFFFAOYSA-N	316.367	3.207	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)c1	858432836	NAYWEBWSNOBOSW-KBPBESRZSA-N	320.433	3.094	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@@H](c2ccccc2)N(C)C)c1	862757185	KNNFCOPAXXRLTL-KRWDZBQOSA-N	312.413	3.010	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2ccccc2OCC2CC2)c1	862758846	NVBGLPLVPFELMI-UHFFFAOYSA-N	311.381	3.419	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@@H](OC)C1CCOCC1	876654404	FEMDNFWCAPDIIW-GOSISDBHSA-N	307.434	3.046	10	20	DGCD	
CC(C)c1cc(NS(=O)(=O)c2cn(C(C)C)cn2)ccc1O	882799285	XCBYUWKDIIMHNP-UHFFFAOYSA-N	323.418	3.094	10	20	DGCD	
CC(C)(O)COc1ccc(NCc2cc(F)cc(F)c2O)cc1	883067110	UWUVPEJQGARFDJ-UHFFFAOYSA-N	323.339	3.432	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc3c(c2)ncn3C)c1O	903202342	ALAMHIRRHQPODD-GFCCVEGCSA-N	311.385	3.138	10	20	DGCD	
CC(C)(C)CC[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	904005970	VVJKASMTAOOIBS-LBPRGKRZSA-N	301.333	3.040	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	910951645	JZWNERZHMZUYCY-MWLCHTKSSA-N	317.307	3.083	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2cccc3c2OCC3)cc1F	922942324	UDKBXQHPIMLMML-UHFFFAOYSA-N	318.367	3.256	10	20	DGCD	
CCN(CC)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1	1328757735	PMPKXQSQHGZHCP-UHFFFAOYSA-N	312.413	3.318	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccnc1OCC	1329038862	XMBLHMCQKKKIQA-UHFFFAOYSA-N	314.385	3.238	10	20	DGCD	
COc1cc(C)cc(CNCc2ccc(N(C)C)cc2C)c1O	1331554646	WPGWJXFUWBJINM-UHFFFAOYSA-N	314.429	3.373	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N(OC)C(C)C)ccc21	1334303431	DASGQWVWRXUWJS-UHFFFAOYSA-N	318.417	3.317	10	20	DGCD	
COc1ccc(NCc2ccc(OC)c(OC)c2O)cc1F	1342864846	SKLLAEAASKAUHX-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
CCO[C@@H](CCNC(=O)NCc1ccc(N)cc1)C1CCCC1	1346367490	QRWABLYJOGAXPR-KRWDZBQOSA-N	319.449	3.053	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)Nc3ccsn3)cs2)cc1	1580446870	JHHWHYYYHWLAFI-UHFFFAOYSA-N	316.411	3.025	10	20	DGCD	
Cc1ccc([C@@H](NCc2ccc(F)c(F)c2O)C(=O)O)cc1C	1607762050	YEBKLNXFJDVRGU-OAHLLOKOSA-N	321.323	3.203	10	20	DGCD	
Cc1cccc(OCCNC(=O)[C@H](C)Sc2nccs2)c1	52914378	ROWFSCHHVNRONZ-LBPRGKRZSA-N	322.455	3.127	10	20	DGCD	
C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1CN	70175415	GJHIXPPGJTXDGU-NOZJJQNGSA-N	303.233	3.258	10	20	DGCD	
CCCN(CC(=O)N1C[C@@H](C)C[C@@H](C)C1)Cc1ccccc1O	75829193	BSZIVUABQAQARJ-IYBDPMFKSA-N	318.461	3.109	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3ccccc3F)C2)cc1	76361104	ZFUMIIAZQDZVTD-OAHLLOKOSA-N	314.404	3.450	10	20	DGCD	
COc1cccc(CNC(C)(C)c2nc(C)c(C)s2)c1O	76904257	JBXQJMLWESIXLC-UHFFFAOYSA-N	306.431	3.499	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Cc1coc(-c2ccccc2)n1	80133552	XUVOQIQQBAIFQH-UHFFFAOYSA-N	322.364	3.248	10	20	DGCD	
O=C(CCC1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	117974859	DBUPJCAGPRXQHX-INIZCTEOSA-N	303.402	3.090	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC=CCC1	121296090	RYAIEXLTJCLOQH-KRWDZBQOSA-N	300.446	3.311	10	20	DGCD	
C[C@H](NC[C@H](c1ccco1)N(C)C)c1ccc(N(C)C)cc1	123895100	QZRRAOBLIYCMKJ-WMLDXEAASA-N	301.434	3.299	10	20	DGCD	
C[C@H](NCc1cccnc1-n1cccn1)c1ccc(N(C)C)cc1	151447404	XFCZQVMAIJKXLW-HNNXBMFYSA-N	321.428	3.184	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC2C[C@H](C)C[C@@H](C)C2)c1	172491294	GIPBPNXWJCMCEB-VXGBXAGGSA-N	306.406	3.025	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2)c(O)c1O	182942713	WFGGTVSEWWIDQP-UHFFFAOYSA-N	322.364	3.086	10	20	DGCD	
CCCNC(=O)c1cccc(CN[C@@H](C)c2ccccc2O)c1	183425995	XCEVCMUTFLGSNU-AWEZNQCLSA-N	312.413	3.383	10	20	DGCD	
C[C@@H]1CCCCN(C(=O)NCCCSc2nccs2)C1	185648759	QKEPRYQXDNZYIV-GFCCVEGCSA-N	313.492	3.457	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCN2CCCC[C@@H]2C)c1	192872411	PBBMCDCJHNLBLE-GJZGRUSLSA-N	306.450	3.316	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCOC[C@H]2CCCO2)cc1	247977964	LTIZXBIIUSPFLT-QFBILLFUSA-N	320.477	3.379	10	20	DGCD	
CCOCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	266694733	MVRALNVBMXXNQO-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
C[C@H]1CN(C)CC[C@H]1N(C)Cc1ccc(N2CCCCC2)cc1	275215585	BTQBJKINLQTVMY-FXAWDEMLSA-N	315.505	3.449	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H]2CCCN(C3CCCCC3)C2=O)c1	276164495	HMWUTNSIXXCFGA-QGZVFWFLSA-N	316.445	3.114	10	20	DGCD	
C[C@H](N[C@@H](C)c1ncnn1C)c1ccc(N2CCCCC2)cc1	276539322	DIOSSHGKDBYAFR-GJZGRUSLSA-N	313.449	3.217	10	20	DGCD	
CC[C@H](NCc1nncn1C)c1cc(Cl)cc(Cl)c1O	287285990	BTEHWCJTONNGJJ-NSHDSACASA-N	315.204	3.068	10	20	DGCD	
CSC1(CN(C)Cc2ccc(N3CCOCC3)cc2)CCC1	290569236	YGGGEPALPWTHTM-UHFFFAOYSA-N	320.502	3.241	10	20	DGCD	
Cc1cc(C)c([C@@H](C)Nc2cccc(OCC(N)=O)c2)c(O)c1	294795683	ORYJTCFEWJZTRS-CYBMUJFWSA-N	314.385	3.046	10	20	DGCD	
CCC[C@@]1(NCc2ccc(Br)cc2O)CCOC1	691468396	MFQMJFWPVMOMRD-CQSZACIVSA-N	314.223	3.204	10	20	DGCD	
COC1(CNCc2ccc(Br)cc2O)CCCC1	691476158	IBYMGEZMJCPXGA-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1	731856185	LTZFJIJWNRGSGZ-UHFFFAOYSA-N	308.385	3.089	10	20	DGCD	
C[C@H]1COCCN1Cc1ccc(OCc2ccccc2)cc1O	753533774	CHCYNYCPGYQHNE-HNNXBMFYSA-N	313.397	3.192	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H]2CN2CCCCC2)c1O	754731433	BTVRALNRFQSFFI-QGZVFWFLSA-N	318.461	3.160	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCCc3c[nH]nc32)c2c(O)ccc(F)c21	756761897	NBMPYOQBMSOOOJ-ICCXJUOJSA-N	301.365	3.470	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(C(F)F)C1	764736389	PFJDCUNVLNNAAU-UHFFFAOYSA-N	310.369	3.493	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC(C(F)F)CC2)c1O	769445373	GIRXDAAQHRKZQC-UHFFFAOYSA-N	320.723	3.431	10	20	DGCD	
CN(CC1CC1)C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	769516960	WOLMVMUJHLBELL-QGZVFWFLSA-N	319.468	3.055	10	20	DGCD	
CCOC(=O)c1ccc(CN2CCCc3cc(OC)ccc32)o1	774546286	OCQZVTOXCOETHD-UHFFFAOYSA-N	315.369	3.418	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)cc1	785608983	IIAXPWHDDGMKOC-QGZVFWFLSA-N	322.811	3.368	10	20	DGCD	
CC[C@@H](N[C@H](C(=O)N1CCCC1)C(C)C)c1ccc(C)cc1O	794810877	NDAMLLFRJKRHRR-AEFFLSMTSA-N	318.461	3.388	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)C(F)F	800143375	AEKHXMZXSKZZAV-UHFFFAOYSA-N	313.325	3.147	10	20	DGCD	
CC(C)[C@H](CO)CN[C@H](C)c1ccc(Br)cc1O	806169797	RDXQIXHPSAMCQN-MNOVXSKESA-N	316.239	3.070	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]3C[C@H]32)cc1F	806772556	SCPUKQIFPLOCQC-WMLDXEAASA-N	319.424	3.366	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@H](C)c1cc(Cl)cc(C)c1O	808682493	RVYZWQWAJPTMNH-NWDGAFQWSA-N	312.841	3.309	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCSC1	809986802	ORVICUQTHYOJHV-OAHLLOKOSA-N	306.475	3.244	10	20	DGCD	
OC[C@@]1(CNCc2cc(Cl)ccc2O)C[C@H]1c1ccccc1	810164200	AWWZKGPSBCIZAI-WMZOPIPTSA-N	317.816	3.301	10	20	DGCD	
C[C@H]1C[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H](C)O1	815082534	WSTGIJDLLDTJQJ-HPFXQQBRSA-N	318.461	3.130	10	20	DGCD	
c1ccc(Cc2nocc2CNCc2ccc3c(c2)CCO3)cc1	815122872	QGTAEWQHDPGMKJ-UHFFFAOYSA-N	320.392	3.490	10	20	DGCD	
CC(C)CN1CCC(NCc2cc(Cl)c(F)cc2O)CC1	816533567	BDPAXJBKZSWFFC-UHFFFAOYSA-N	314.832	3.395	10	20	DGCD	
OC[C@H](CNCc1cc(Cl)c(F)cc1O)Cc1ccccc1	816538189	IZQPKMSWQUFAAF-ZDUSSCGKSA-N	323.795	3.126	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1ncc(C(=O)OC)s1)c1ccccc1O	818355061	BBRSOCHCDKVFMA-CMPLNLGQSA-N	320.414	3.437	10	20	DGCD	
CCCOc1ccccc1NC[C@@H](O)COc1ccccc1F	819398408	MGRPEUQSLMJGAS-CQSZACIVSA-N	319.376	3.466	10	20	DGCD	
Cc1cc(O)c(CN(C)Cc2nnc3ccccn23)cc1Cl	824649535	DDXUMUFJFYYCLD-UHFFFAOYSA-N	316.792	3.029	10	20	DGCD	
Cc1cc(O)c(CNC[C@@]2(O)CCc3ccccc32)cc1Cl	825370058	IMMOKJGYMRWZGV-SFHVURJKSA-N	317.816	3.278	10	20	DGCD	
CC[C@@]1(O)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1	825567582	KEEYSSFALDRJMC-GOSISDBHSA-N	307.434	3.045	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@]3(CCCN(C)C3)C2)cc1Cl	826016397	IMOMJDUYBQRFGW-QGZVFWFLSA-N	308.853	3.272	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H](C)[C@](C)(CO)C2)cc1F	827698653	AEJABOGYEVTOMX-KSSFIOAISA-N	308.441	3.122	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC1CCC(OC)CC1	838758021	JJONTRIVCQTSJU-UHFFFAOYSA-N	320.433	3.271	10	20	DGCD	
CC[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(F)cc1O	840886936	OJTCTNQNZGEGNQ-BZPMIXESSA-N	303.324	3.121	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1	841837797	XUJFFNSVKJMLOH-YQQAZPJKSA-N	301.434	3.079	10	20	DGCD	
C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1Cc1ccccc1O	843427901	BJCILQYRGBXJLP-ACJLOTCBSA-N	301.361	3.493	10	20	DGCD	
CS[C@@H]1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1	845011606	DWCOECUOSWYSIA-NWDGAFQWSA-N	314.838	3.129	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2c(F)ccc(O)c2F)c1	845971003	GNNOILGHJFHOMJ-VIFPVBQESA-N	309.312	3.235	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccccc1	846150587	JFJZVCOUUBLYTK-BBRMVZONSA-N	301.386	3.439	10	20	DGCD	
C[C@@H](NC[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O	850555925	JYJCMTMCUKISCO-VXGBXAGGSA-N	324.852	3.343	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1	850565910	JQHSYDRHADMLKN-APWZRJJASA-N	302.462	3.316	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)C1(CO)CC1	855480201	ZAZKJUATBDLGRN-ZDUSSCGKSA-N	318.442	3.046	10	20	DGCD	
CNc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1	859742888	XLMVVNDYIZPRQQ-UHFFFAOYSA-N	312.417	3.424	10	20	DGCD	
CC[C@@H](Oc1ccccc1C)C(=O)NCc1cc(C)ccc1O	862758150	QGQCGUIXHHPERJ-QGZVFWFLSA-N	313.397	3.483	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCCC2)cc1)[C@H](O)C(F)(F)F	865712214	YADMNMJLJUHEQE-WFASDCNBSA-N	316.367	3.078	10	20	DGCD	
Cc1ccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)c(O)c1	877533764	RXHSUZJJVUZSAL-KRWDZBQOSA-N	302.393	3.232	10	20	DGCD	
COC(=O)COc1ccccc1CNc1cc(C)ccc1OC	892313795	DRMKGLPHXZWBKZ-UHFFFAOYSA-N	315.369	3.168	10	20	DGCD	
COC[C@H](NCc1cc(C)cc(OC)c1O)c1ccc(C)o1	894330270	WMVLVFSBUKVDRH-AWEZNQCLSA-N	305.374	3.088	10	20	DGCD	
COc1cc(C)cc(CNC[C@]2(C)CCO[C@@H]2C2CC2)c1O	894475009	HWGXIIKIFQZIRF-MSOLQXFVSA-N	305.418	3.004	10	20	DGCD	
COc1ccc(CNC[C@H]2CC[C@H](NC(=O)C(C)C)C2)cc1C	994771846	RFYUKKGYBOEAOL-IRXDYDNUSA-N	318.461	3.034	10	20	DGCD	
COc1ccc(CNCCNC(=O)C(C)(C)CC(C)C)cc1C	1147080411	IJMXMAMQUOROKZ-UHFFFAOYSA-N	320.477	3.282	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CCC[C@@H]2CCC[C@@H]21	1338750739	NXEJUKWYDZYWGJ-QWRGUYRKSA-N	304.419	3.018	10	20	DGCD	
Nc1ccc(CN2CC[C@H](OCCCc3ccccc3)C2)cc1	1352788636	FTZFRPKKEGZGME-FQEVSTJZSA-N	310.441	3.493	10	20	DGCD	
C[C@@H](CC(C)(C)CC(=O)O)NCc1ccc(N(C)C)c(F)c1	1592446530	ZDYSCKMULCMKCS-LBPRGKRZSA-N	310.413	3.261	10	20	DGCD	
Cc1cc(NC(=O)NCc2cc(C)ccc2O)cc(C(=O)O)c1	1600272144	QNGDMXLDWHHEGX-UHFFFAOYSA-N	314.341	3.029	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C)[C@@H](C(=O)O)C(C)C)c(C)c1	1776857032	APDVZLCTOFVEDG-PBHICJAKSA-N	306.450	3.286	10	20	DGCD	
COc1ccc2c(ccn2CC(=O)N(C)Cc2ccccc2O)c1	53916334	SVBKZTDILYATKS-UHFFFAOYSA-N	324.380	3.014	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2)cc1OC	67984641	PGHPKSHXJLLHCX-HNNXBMFYSA-N	305.349	3.013	10	20	DGCD	
CCSCC[C@H](C)N(C)C(=O)NCc1ccc(N(C)C)cc1	75546349	HPWFWZDNBDXMNL-AWEZNQCLSA-N	323.506	3.426	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1	90795445	WGTBAGIQGSFAES-YWZLYKJASA-N	310.441	3.237	10	20	DGCD	
COc1cccc(CN2CCN(C3CCC(C)CC3)CC2)c1O	93386994	CWCXBUJKOBSOLF-UHFFFAOYSA-N	318.461	3.097	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CO[C@@H]2CCCC[C@@H]2C)c1	113429556	UYILMSSNWXKEOY-GDZNZVCISA-N	321.417	3.173	10	20	DGCD	
COCCCCCOC(=O)c1cc(C)n(-c2ccccn2)c1C	116990809	BIFPGCSFTQRFJO-UHFFFAOYSA-N	316.401	3.463	10	20	DGCD	
C[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccc(N2CCOCC2)cc1	119240652	NUOSLGJDEUJCDL-WBVHZDCISA-N	318.461	3.131	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc2nccnc2c1	120578495	WHGXKINIBIZWCC-UHFFFAOYSA-N	318.380	3.482	10	20	DGCD	
CCOc1cccc(CN2CCC(N(CC)CC)CC2)c1O	121687332	IEMCBBGWQVEWKG-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
C[C@H](CC(=O)NCCc1ccc(N)cc1)c1ccccc1F	152587860	HRAAZQPQPPDSJN-CYBMUJFWSA-N	300.377	3.260	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC2(C)Cc3ccccc3C2)cc1	156198902	GWTGLAJMYOZLDX-UHFFFAOYSA-N	323.440	3.109	10	20	DGCD	
O=C(N[C@H]1CCOC1)N(Cc1ccccc1O)C1CCCCC1	179152353	WUQYXLSGVDIXKY-HNNXBMFYSA-N	318.417	3.025	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(Cn3cncn3)cc2)c(O)c1	184954193	LYASQQKJKZCUMW-OAHLLOKOSA-N	322.412	3.191	10	20	DGCD	
C[C@@H](NCCCn1cccn1)c1ccc(Br)cc1O	184957398	RSCABCYOWJEPKT-LLVKDONJSA-N	324.222	3.092	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@H](C)c2cc(Cl)ccc2O)c1	185418792	SZHWZGJDWGEYGA-DIFFPNOSSA-N	321.804	3.438	10	20	DGCD	
CSCCCCCNC(=O)NCc1ccc(N(C)C)cc1	186175593	XOOQNIGPOHPLDT-UHFFFAOYSA-N	309.479	3.085	10	20	DGCD	
C[C@H](NCCOCC(F)F)c1ccc(Br)cc1O	188757171	DDNMTUKRIWIRSB-QMMMGPOBSA-N	324.165	3.087	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC[C@H](O)C1	191364509	WSVYLBAXSLGRHS-KGLIPLIRSA-N	318.442	3.046	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@](C)(CC)CC(=O)OC)cc1	236908694	ZDHMOFYTAOBROA-SFHVURJKSA-N	306.450	3.354	10	20	DGCD	
Cc1cc(C(=O)NCC(C)(C)CCO)c(C)n1-c1ccccc1	268930343	XVQHHFATSSHBHZ-UHFFFAOYSA-N	314.429	3.233	10	20	DGCD	
COC[C@H](CCO)N[C@@H](C)c1ccc(N2CCCCCC2)cc1	269011040	MSUJEINPFGLYLH-WMZOPIPTSA-N	320.477	3.115	10	20	DGCD	
CC[C@@]1(C)CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	399771239	SMAGZTXKHKYOSL-WRLNGNIRSA-N	304.346	3.319	10	20	DGCD	
CCOCC(C)(C)NC(=O)NCc1c(C)c2ccccc2n1C	458747972	RJTUDVDCICRERP-UHFFFAOYSA-N	317.433	3.101	10	20	DGCD	
Cc1c(CNC(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)n(C)c2ccccc12	471219253	PKEQDCIHNMSLLV-LUVWLHFXSA-N	308.425	3.395	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(C)c(C)c2)c1	728980497	HZZLROAOGMFOJG-CQSZACIVSA-N	313.397	3.438	10	20	DGCD	
CN(Cc1c(O)ccc(C(=O)c2ccccc2)c1O)C1CCC1	742172841	HEAVRZLRYMSWHQ-UHFFFAOYSA-N	311.381	3.313	10	20	DGCD	
CCO[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C(C)C	761569766	SCDXSPFGIGSMPE-SFHVURJKSA-N	319.445	3.338	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(N3CCCC3)cn2)cc1F	769378908	WQQPKBHDRWEEAN-UHFFFAOYSA-N	314.408	3.499	10	20	DGCD	
COC(=O)c1ccc([C@H](C)N[C@@H](C)c2cc(OC)ccc2O)o1	775369844	SQNUJLQVHCYTAR-QWRGUYRKSA-N	319.357	3.192	10	20	DGCD	
COc1ccc(Cl)cc1COC(=O)c1cccc(O)c1O	776278617	BOCMXDSLTMBKIT-UHFFFAOYSA-N	308.717	3.117	10	20	DGCD	
COc1ccc(N(C)Cc2cc(O)ccc2[N+](=O)[O-])cc1F	780779444	DWYLOCXBHLOZSD-UHFFFAOYSA-N	306.293	3.085	10	20	DGCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1nc(C(F)(F)F)cs1	787987197	AGGMCJFHAMNWCP-RXMQYKEDSA-N	322.333	3.420	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccnc(C)c2)cc1F	789937712	UKKNFDQOCPMMID-UHFFFAOYSA-N	315.392	3.305	10	20	DGCD	
CC(C)C[C@H](CNCc1c(O)ccc(Cl)c1F)N(C)C	790949648	GSQSWGOELBIGTC-LLVKDONJSA-N	302.821	3.251	10	20	DGCD	
O=C(CCc1cnc2ccccc2c1)NCc1ccccc1O	792240426	UETGKLMXNQDXJJ-UHFFFAOYSA-N	306.365	3.189	10	20	DGCD	
O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(O)c1O	792630967	XQKZLKWZFBGWFL-TZMCWYRMSA-N	315.344	3.303	10	20	DGCD	
CCN(CC)c1ccc(CNCCC(C)(C)C(=O)OC)cc1F	792973800	IEPYLOYGAWIJTP-UHFFFAOYSA-N	324.440	3.351	10	20	DGCD	
CC(C)(C)OC(=O)NC[C@@H](NCc1ccccc1O)C(C)(C)C	798508468	ZWWSXEMLBCDJKM-OAHLLOKOSA-N	322.449	3.421	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@H]2C[C@H]21)c1ccc(N2CCOCC2)cc1	800968136	GIEFTOGEIWLNRF-WQCNXYOZSA-N	300.446	3.362	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1nccs1	807835919	MSJIBUMPRVCOKG-UHFFFAOYSA-N	303.170	3.086	10	20	DGCD	
CN(C)CCN(Cc1ccc(N(C)C)cc1)Cc1cccs1	809745596	DHACFKVNZLEZMN-UHFFFAOYSA-N	317.502	3.378	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCSC1	810447703	SANHGFSMLOXLLC-CYBMUJFWSA-N	305.443	3.030	10	20	DGCD	
CN(C[C@H](O)CNc1ccc(Nc2ccccc2)cc1)C1CC1	819396195	ZLASPRKAKDYGJY-LJQANCHMSA-N	311.429	3.297	10	20	DGCD	
O=[N+]([O-])c1cc(CN2CC3(CC3)C2)ccc1N1CCCCC1	824533786	OATHFZRDWZBWSB-UHFFFAOYSA-N	301.390	3.181	10	20	DGCD	
CC[C@@H](NCc1cc(Cl)c(C)cc1O)[C@@H](O)C(F)(F)F	825390809	LJFRPISMHQSWLY-ZYHUDNBSSA-N	311.731	3.145	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1	827196631	MUMBVELFPCKWFC-RBUKOAKNSA-N	311.425	3.299	10	20	DGCD	
COc1ccc(CNC(=O)/C(F)=C\C2CCCCC2)c(O)c1	831038745	OSUPCQSXVXVEJB-OQLLNIDSSA-N	307.365	3.451	10	20	DGCD	
CCCN(CC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840490296	ZEOSPZMPFILXQW-OAHLLOKOSA-N	305.466	3.434	10	20	DGCD	
CC(C)(CNCc1cc(Cl)cc(F)c1O)OCC1CC1	840960891	XETJFTAZQIADEO-UHFFFAOYSA-N	301.789	3.480	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC3(CC3)c3ccccc32)cc1	841955268	XVZNQPMMLMRORS-UHFFFAOYSA-N	307.397	3.073	10	20	DGCD	
COc1cc(C)cc(CN(C)C[C@](C)(O)c2ccccc2)c1O	842629113	ZANPKHQKGUWZRC-IBGZPJMESA-N	315.413	3.049	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2[C@H]2CCCOC2)cc1F	843418216	ZGDBJQBKPXGKMV-DOTOQJQBSA-N	306.425	3.283	10	20	DGCD	
CCCS(=O)(=O)CCN(C)c1ccc(-c2nccs2)cc1	846990262	DETDGORBSGMXSQ-UHFFFAOYSA-N	324.471	3.071	10	20	DGCD	
CCc1cccc(CN[C@H](C)c2ccc(NC(N)=O)cc2)c1O	848894936	IFRJFUWEACZSIL-GFCCVEGCSA-N	313.401	3.296	10	20	DGCD	
CCc1cccc(CNc2ccc(CCO)cc2OC)c1O	848907574	PKHOILNCOKVECM-UHFFFAOYSA-N	301.386	3.110	10	20	DGCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CC[C@@H]3C[C@@H]3C2)c1O	853576929	GXWAYFPZTYFNND-HUUCEWRRSA-N	323.392	3.171	10	20	DGCD	
COc1cc(CNc2cc(OC)n[nH]2)c(O)c(C(C)(C)C)c1	858231384	QNFUIKBMLSKJKK-UHFFFAOYSA-N	305.378	3.042	10	20	DGCD	
CCOC[C@@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)C1	862245295	MIADBYSIDGLGIF-CYBMUJFWSA-N	312.404	3.279	10	20	DGCD	
CO[C@](C)(C(=O)NCc1cc(C)ccc1O)c1ccccc1F	862757209	LGFMQBJXNCCFTF-SFHVURJKSA-N	317.360	3.018	10	20	DGCD	
Oc1cc2c(cc1CN1CCC3(CCSCC3)CC1)OCO2	872645705	WXFMFBNMCCWBRN-UHFFFAOYSA-N	321.442	3.230	10	20	DGCD	
Cc1ccc(CN[C@H](CN2CCCC2=O)c2ccccc2)c(O)c1	876940284	TVVWDAUSRVGPCV-GOSISDBHSA-N	324.424	3.154	10	20	DGCD	
OC1CCN(c2ccc(CNCCCC(F)(F)F)cc2)CC1	877062691	BPIOFWYAZOGIFA-UHFFFAOYSA-N	316.367	3.080	10	20	DGCD	
Cc1cccc(O)c1CNCc1cccnc1OCC(F)F	877123430	KDOCNVPSWXAANK-UHFFFAOYSA-N	308.328	3.029	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(F)c(N(C)C)cc1F)N2	877863771	TVGLHYBJFJNLHL-INIZCTEOSA-N	317.339	3.193	10	20	DGCD	
COc1cc(C)cc(CNCCc2sc(C)nc2C)c1O	894252522	HTMMGNVKVJNTCR-UHFFFAOYSA-N	306.431	3.115	10	20	DGCD	
COc1c(C)cnc(CN(C)Cc2cc(F)cc(F)c2O)c1C	894450524	KCNHZPVVLCPUEP-UHFFFAOYSA-N	322.355	3.323	10	20	DGCD	
C[C@@H](NCC[C@H](O)C1CC1)c1cccc(C(F)(F)F)c1O	903408852	URFYHRVUKCIGKJ-RNCFNFMXSA-N	303.324	3.223	10	20	DGCD	
O=C(O)CC1(CNCc2cc(F)cc(F)c2O)CCCCC1	903989190	TVJKGSOYRQYGRX-UHFFFAOYSA-N	313.344	3.185	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1c[nH]c2ncccc12	917410775	NJFCDQANGANXIZ-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
CC(C)CCOC1CCN(C(=O)NCc2ccc(N)cc2)CC1	1120682316	XNWLULQRHHJZAU-UHFFFAOYSA-N	319.449	3.006	10	20	DGCD	
c1c[nH]c([C@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)n1	1319696397	RVVMLFAULAQQLD-KRWDZBQOSA-N	310.445	3.390	10	20	DGCD	
C[C@H](CC(=O)Nc1c(Cl)ccc2nonc12)c1ccncc1	1330418859	PBVYLICVOKNKCF-SECBINFHSA-N	316.748	3.404	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccc(C(N)=O)cc1	1337786142	VDEVLGNCGBMLCT-DOMZBBRYSA-N	310.397	3.138	10	20	DGCD	
C[C@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N)cc1	1338597918	ZATTXUVGMMYMRX-SNVBAGLBSA-N	303.328	3.189	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2CC=CC2)cc1	1348269713	DRDGNRUJPTVIFW-UHFFFAOYSA-N	322.408	3.284	10	20	DGCD	
CC(C)Oc1ccnc(CN2CCCc3cc(CN)ccc32)c1	1575813441	DMSOVFOPBIUVHL-UHFFFAOYSA-N	311.429	3.280	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)CC(=O)O	1595748351	XLWUOFQQYJJGLX-CYBMUJFWSA-N	307.390	3.022	10	20	DGCD	
O=C(O)c1cnc(SCC(=O)c2cc(F)ccc2F)s1	1602536702	FHFVNVBDAVCMEH-UHFFFAOYSA-N	315.322	3.095	10	20	DGCD	
COc1ccc(N(C)CCOC(=O)Cc2ccccc2)cc1F	1653680241	QUDMEUWYWCATBM-UHFFFAOYSA-N	317.360	3.056	10	20	DGCD	
CN(C)c1ccc(CN(c2ccnc(C(=O)O)c2)C2CC2)cc1	1777039620	RDBIYMDHLXXSOV-UHFFFAOYSA-N	311.385	3.015	10	20	DGCD	
CN(C)c1ccc(CNCc2c(F)cc(C(=O)O)cc2F)cc1	1777040057	WCZLCPKLFAKTNY-UHFFFAOYSA-N	320.339	3.019	10	20	DGCD	
C[C@H](Cc1ccccc1Cl)NC(=O)Cc1ccc(N)cc1	37012711	WYPOYHBMNPOVFT-GFCCVEGCSA-N	302.805	3.212	10	20	DGCD	
CCCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	71794245	GOAHDBJQDNDZSY-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCCO2)cc1	87140245	YKFLOCHHMBXFDX-QGZVFWFLSA-N	304.434	3.108	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(F)(F)c2ccccc2)c1	104901084	ZUXTZKFQRFMSJU-LLVKDONJSA-N	321.323	3.370	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)Cc2ccco2)cc1Cl	121854679	RLMPYHFJMJPYOJ-UHFFFAOYSA-N	322.792	3.036	10	20	DGCD	
C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccncc1	154928340	YHZMCRWKLSIKFN-CQSZACIVSA-N	324.424	3.476	10	20	DGCD	
CCOC(=O)c1ccc(NCCCSc2nccs2)nc1	156411545	FWPZHNBMVLFQSE-UHFFFAOYSA-N	323.443	3.309	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCc2ccccc21	180628754	ZASIVRACVUGVIF-SOGBHIHOSA-N	323.392	3.347	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c(O)c1O	181856667	KMIHILISWCYCJR-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
Cc1ccc(N[C@@H](C)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])c1	184147141	XMZLGFQCPDLVAJ-NSHDSACASA-N	302.330	3.358	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccncc2F)cc1	184229583	RUPNMDZKNOJABP-UHFFFAOYSA-N	316.380	3.389	10	20	DGCD	
CC(C)NC(=O)CCN[C@H](C)c1ccc(Cl)c(Cl)c1O	184981615	MBCZLNARFAXVKI-SECBINFHSA-N	319.232	3.264	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1	186444342	QLKHUOLCHHCVPA-HXUWFJFHSA-N	308.425	3.384	10	20	DGCD	
CCOC(=O)[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1	194742602	XOIDUDUIZLJJOC-GOSISDBHSA-N	312.413	3.147	10	20	DGCD	
CCCN(C(=O)Cc1ccc(N)cc1)[C@H]1C[C@@H](OCC)C1(C)C	236751955	DFRKJOPWXFIGKJ-DLBZAZTESA-N	318.461	3.254	10	20	DGCD	
CN(C)c1cccc([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1	237154479	SNMXILDLPLHCCF-IBGZPJMESA-N	323.440	3.241	10	20	DGCD	
Nc1ccc(CC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1	237898688	VGUABPFOCHFIQK-UHFFFAOYSA-N	314.816	3.313	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1C[C@H]2CC[C@H]1C2	245747604	SVJZMSYVKSULNK-SEXZQZOPSA-N	301.386	3.052	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1ccc(CSC(F)F)o1	255572113	PRUARROSAJBIII-XVNBXDOJSA-N	307.368	3.224	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(F)nc1	265079663	HXYJUVWTIBYAMR-UHFFFAOYSA-N	315.392	3.338	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1O	272417365	JPYRRNMXVWUTEO-UHFFFAOYSA-N	310.397	3.231	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(SC)cn2)c1	273446593	FEHFYCQMFBDXOM-JTQLQIEISA-N	318.398	3.469	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@H](C)C1)c1cc(Br)ccc1O	273463321	INCQBXMISURDSZ-JFGNBEQYSA-N	314.223	3.373	10	20	DGCD	
C[C@H](C[S@](C)=O)N(C)Cc1cc(-c2ccccc2)ccc1O	275300882	QLWUCNARZNWHGD-PEBXRYMYSA-N	317.454	3.258	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCC(=O)[C@H]1C	279908342	MWVZLCAHTVGKEH-KBPBESRZSA-N	303.402	3.136	10	20	DGCD	
C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1cc(F)ccc1O	370373367	JBCBKOOKPVNZDC-YVEFUNNKSA-N	300.377	3.369	10	20	DGCD	
C[C@@H]1O[C@H](C)C[C@@H]1CNCc1ccc(Br)cc1O	686514698	GZMZHENHHKLJQD-JFGNBEQYSA-N	314.223	3.058	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cccc(Br)c2O)C[C@@H](C)O1	724667062	BMMPJZFINXTFIA-IAZYJMLFSA-N	314.223	3.200	10	20	DGCD	
CCN(Cc1ccccc1NC(=O)c1cc(O)cs1)C(C)=O	732270410	BFPPKRMLQYMJIH-UHFFFAOYSA-N	318.398	3.074	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2nonc2C)c1	735817718	DLSLGTDBKQPLBJ-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN[C@@H]1CCc2n[nH]cc2C1	736647045	CHAVKCYVEJZIEO-GOSISDBHSA-N	319.408	3.429	10	20	DGCD	
C[C@@H](NCc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1O	756549900	PLBPSKPYHNABCR-SECBINFHSA-N	308.284	3.429	10	20	DGCD	
C[C@H](NCc1ccon1)c1cc(Br)c(F)cc1O	756637687	ONMMBYJNNRTVKP-ZETCQYMHSA-N	315.142	3.133	10	20	DGCD	
C[C@H](Nc1cnn(CC(F)F)c1)c1cc(F)cc(F)c1O	756843406	DXLKBMCIXRQXSQ-ZETCQYMHSA-N	303.259	3.305	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccno1	758536002	BRLGYMOHLFSLSN-UHFFFAOYSA-N	301.371	3.074	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)c2ccc[nH]2)c(C)n1-c1ccccn1	760956666	GTQSZONBPRKSAK-CYBMUJFWSA-N	308.385	3.308	10	20	DGCD	
COc1ccc(CN(C)Cc2c(O)cccc2OC)cc1OC	768170334	OOYPIEADCLKLPF-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](OC)C(C)C)cc1	769803412	MSGFDRZZTPUOHE-QGZVFWFLSA-N	306.450	3.162	10	20	DGCD	
C[C@H](NC(=O)c1ccncc1Cl)c1ccc(N(C)C)cc1	773014386	IMSNIFZZNGZAAG-NSHDSACASA-N	303.793	3.292	10	20	DGCD	
C[C@@H](NC(=O)N[C@H](C)c1ccc[nH]1)c1ccc(N(C)C)cc1	773425454	UWYDLLQRTKHMRP-CHWSQXEVSA-N	300.406	3.202	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1O	775522680	XNLIHDSFQGZFPA-SJORKVTESA-N	316.445	3.367	10	20	DGCD	
C[C@H](Nc1cccc2c1oc(=O)n2C)c1ccc(N(C)C)cc1	777264084	GUYJIGRAHPZFSJ-LBPRGKRZSA-N	311.385	3.371	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2ccc(C)n(C)c2=O)cc1	786939994	XRTWUEPGWDIANS-HNNXBMFYSA-N	313.445	3.001	10	20	DGCD	
COc1ccc(CNc2nc3ccccc3cc2CO)c(O)c1	795284862	LQKKZYZPMAIXDA-UHFFFAOYSA-N	310.353	3.053	10	20	DGCD	
COc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1C	799343905	OYTZUJSSHJGLEV-HXUWFJFHSA-N	311.425	3.317	10	20	DGCD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(Cc2cc(Cl)cc(F)c2O)[C@H]31	809698245	WRJGPBGQFTXCCA-AUTCDRCXSA-N	311.784	3.040	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)CC(=O)OC	809804132	RURJQSVINKWNKR-CQSZACIVSA-N	321.417	3.110	10	20	DGCD	
CC[C@H](NC[C@H](COC)OC)c1ccc(C(F)(F)F)cc1O	810236104	YLQUPXZTWQQQKS-YPMHNXCESA-N	321.339	3.113	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(O)ccc2Cl)c1	810348415	VXQXEUUDFBXVPZ-SECBINFHSA-N	321.760	3.251	10	20	DGCD	
COc1ccc(N2CCCN(CC3(SC)CCC3)CC2)cc1	811458312	SVZIQZFWLMCZRB-UHFFFAOYSA-N	320.502	3.493	10	20	DGCD	
C[C@@H](NCC(C)(F)F)c1ccc(N2CCOCC2)cc1Cl	815644942	QQTCPAVMMTZNHT-LLVKDONJSA-N	318.795	3.482	10	20	DGCD	
Nc1ccc(CCN[C@@H]2CCCOc3ccc(F)cc32)cc1	817955769	HJLRMBPCGFNBLY-QGZVFWFLSA-N	300.377	3.454	10	20	DGCD	
O=C(CSC1CC1)NCc1ccc(N2CCCCC2)cc1	822818609	GYSZYDMZOIGHSK-UHFFFAOYSA-N	304.459	3.189	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCc2cc(C)cc(C)c2)c1O	827093126	DKUOCSCAVILQIV-UHFFFAOYSA-N	316.357	3.216	10	20	DGCD	
CN1CCCN(C(=O)c2cc(O)cs2)c2cc(F)ccc21	828497223	TZVCXEMRJROUNV-UHFFFAOYSA-N	306.362	3.080	10	20	DGCD	
CCCCC[C@H](C)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832274056	RKOZZOLZTMLQRA-MAUKXSAKSA-N	319.493	3.475	10	20	DGCD	
CC(C)[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1	836320550	OBQPZZVOLWLOQD-WMZOPIPTSA-N	313.445	3.154	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2=CCCCC2)c1	836521574	YDNWVNPMFGUNJE-GFCCVEGCSA-N	304.390	3.261	10	20	DGCD	
O=C(NCC[C@@H]1CCc2ccccc21)NCc1ccccc1O	836528955	TUJOPQITVGLIAW-HNNXBMFYSA-N	310.397	3.312	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2cccc(C3CC3)c2)cc1	839471303	WEJSWXCJWSRKJV-UHFFFAOYSA-N	308.425	3.489	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cn2ccccc2n1	840976227	NJEOOCCUVUBCFE-MRXNPFEDSA-N	322.456	3.430	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C)[C@H]2CCN)c1O	846226376	LSUNYZQWXQGEQJ-BDJLRTHQSA-N	324.852	3.198	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)c1O	848898408	BTBCOUOEEMRLIW-WBVHZDCISA-N	307.459	3.099	10	20	DGCD	
CCc1cccc(CN2CCC(O)(c3ccccc3)CC2)c1O	848903101	LWDYLAZOTMBGQF-UHFFFAOYSA-N	311.425	3.438	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCO[C@H]2CCCC[C@@H]2C)c1	858153247	JRUNLSSIPHLQGL-YOEHRIQHSA-N	320.433	3.095	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H]1CCCN1CC(F)F	858232520	ZVNUOIKFILEHQG-VIFPVBQESA-N	322.758	3.004	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC2CCC2)cc1	858434035	AAYUWHGNSKWIBV-UHFFFAOYSA-N	324.424	3.365	10	20	DGCD	
CN(C)c1cc(F)c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1F	862381117	VELJHXJDPMPFLK-ROUUACIJSA-N	322.399	3.174	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[C@H](N)CC2)cc1	870856881	PBTXXFFMTRHWLX-QAQDUYKDSA-N	317.477	3.009	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(C)nc1NC	901052113	HGOGGSXTIUXUIQ-UHFFFAOYSA-N	313.401	3.190	10	20	DGCD	
C[C@@H](NCc1cn(C)cn1)c1ccc(N2CCCCC2)c(F)c1	903351108	HQHYVJMSOOTCRY-CQSZACIVSA-N	316.424	3.400	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	910950297	VXRATIOQOROMNZ-BFHYXJOUSA-N	303.402	3.321	10	20	DGCD	
CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(O)ccc1O	1323443475	NZUWZOKPDWFZDU-OAHLLOKOSA-N	318.760	3.338	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC(NCC2CC2)CC1	1580887884	AKYLQXPCOAYCQX-UHFFFAOYSA-N	312.816	3.149	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)cc2F)cc1F	1607267761	IKWSKFVBHLSAOE-UHFFFAOYSA-N	307.296	3.308	10	20	DGCD	
CC[C@@H]1CCCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	33500544	HEEWRULQICNMSA-BUUCAEBMSA-N	304.346	3.462	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c1O	93102545	MGTOGTAVNRPRIX-AWEZNQCLSA-N	321.417	3.097	10	20	DGCD	
COC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1	102675100	SKLYYBWLLHDFRS-UHFFFAOYSA-N	312.413	3.171	10	20	DGCD	
Cc1cnc(NC(=O)NCc2ccc(N(C)C)cc2C)s1	115640478	VEDNUEPLQJNLHK-UHFFFAOYSA-N	304.419	3.148	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccccc2O)cc1Br	135559664	PZJRVARMTPPNTR-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC12CC3CC(CC(C3)C1)C2	140996232	STPICOLLCIHTBM-DUXPYHPUSA-N	313.397	3.196	10	20	DGCD	
CC(C)(C)CCNC(=O)COc1ccc(N2CCCC2)cc1	152006447	BLJFDOMBNPMFFR-UHFFFAOYSA-N	304.434	3.218	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2[C@@H]3CCC[C@@H]23)cc1F	178220750	BWTNHWSAYQFOTI-ZIAGYGMSSA-N	304.409	3.334	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@@H](O)C2)cc1	179949930	NGYNXJYKWXSSTF-HXUWFJFHSA-N	310.441	3.280	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCc3c(O)cccc32)cc1	190021182	UVMAHRPWXQAXBG-GOSISDBHSA-N	324.424	3.195	10	20	DGCD	
COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C)cc1C	265768591	NSIXUVSMNVBBQX-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@@H](C)c2ccc(N(C)C)cc2)cc1	268755262	LJWAEULXUFJHBM-LIRRHRJNSA-N	314.429	3.145	10	20	DGCD	
C[C@@H](CCCC(=O)O)NCc1ccc(N2CCCCC2)cc1	277380578	QUYQWEAGYCGRMT-HNNXBMFYSA-N	304.434	3.410	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1C	278308843	DZCURHBOQYNGRC-DOMZBBRYSA-N	317.351	3.144	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1	278403396	OPBBWOZGMKOOCK-ZWNOBZJWSA-N	323.742	3.181	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCN(C)C	283686878	IHEWQVMHMLNLBO-HNNXBMFYSA-N	321.465	3.044	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@H]3CN(C)CC[C@@H]32)c(O)c1	290401519	JJUAJSPHJCFYOK-YJBOKZPZSA-N	318.461	3.097	10	20	DGCD	
COc1cc(N2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])cc1OC	291141787	NZPIKNVAFYYEIS-SECBINFHSA-N	316.304	3.094	10	20	DGCD	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(O)c1O)CC3	369628878	HBZSZZMNNLKGMV-UHFFFAOYSA-N	322.364	3.086	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)c2nccn2-c2ccccc2)c1	377868404	HXQALBKRSHTFMO-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
C[C@H]1SCC[C@@H]1NCc1ccc(Br)cc1O	691463874	CQILZMDDSVPPLT-KCJUWKMLSA-N	302.237	3.138	10	20	DGCD	
C[C@H](NCc1c(O)cccc1Br)C1CCOCC1	706872058	XASBICIXMLBBJN-JTQLQIEISA-N	314.223	3.059	10	20	DGCD	
CCOc1ccc(CN[C@H](C)c2nc(C(C)(C)C)no2)c(O)c1	742390513	JKAGNXZFPZVKMT-LLVKDONJSA-N	319.405	3.322	10	20	DGCD	
CCC1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1	746982591	AWQAPDIYQJRSLQ-UHFFFAOYSA-N	315.461	3.401	10	20	DGCD	
CO[C@@H](C)CCN[C@H](C)c1cc(Br)c(F)cc1O	756525388	BMDMUQLHOXXHDF-DTWKUNHWSA-N	320.202	3.369	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc(CF)cc1	759588442	LMVSOUDWGNXAFT-SOFGYWHQSA-N	302.301	3.324	10	20	DGCD	
Cc1cc(C(=O)OC[C@H]2CCCOC2)c(C)n1-c1ccccn1	766315566	VIQOHNSPCKVUFH-HNNXBMFYSA-N	314.385	3.073	10	20	DGCD	
Cc1ccc(C(=O)NCCc2ccccc2Cl)c(O)c1O	770480666	FDZFQLDKXBXGGR-UHFFFAOYSA-N	305.761	3.032	10	20	DGCD	
C[C@H](NC(=O)CC[C@H]1CC[C@@H](C)O1)c1ccc(N(C)C)cc1	773019484	MBVQLWBVRSATIY-JKIFEVAISA-N	304.434	3.278	10	20	DGCD	
C[C@H](NC(=O)NC[C@H]1CCCCS1)c1ccc(N(C)C)cc1	773626119	MFXKRLTVMREBLA-XJKSGUPXSA-N	321.490	3.399	10	20	DGCD	
C[C@@H](NCCCCC1(C)OCCO1)c1ccc(N(C)C)cc1	774383947	MZLCXTXRSGJKSK-OAHLLOKOSA-N	306.450	3.337	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1	776309740	MLFKJLXIRCKSLS-HLLBOEOZSA-N	316.445	3.137	10	20	DGCD	
COCC[C@@H](Cc1ccco1)NCc1ccc(N(C)C)c(F)c1	784624765	HGWBSUZHDBCKJT-HNNXBMFYSA-N	320.408	3.222	10	20	DGCD	
CCn1cccc(CN[C@@H](C)c2ccc(C)c(C)c2O)c1=O	788605209	NBDLJFKWMSGYCO-AWEZNQCLSA-N	300.402	3.041	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)C[C@H]1C	792164633	AVSOHJBHSCFREJ-VXGBXAGGSA-N	314.832	3.489	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)CO1	792793583	GHQYUBZJEWBFQL-VXGBXAGGSA-N	316.367	3.381	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cnc3c(F)cccc3c2)cc1	794212841	VIGQKSAQPTYWJM-UHFFFAOYSA-N	323.371	3.370	10	20	DGCD	
C[C@@H](NCc1cc(Cl)cc(F)c1O)[C@@H](O)c1ccccc1	809786744	JYBKEOMHBUEHND-MEBBXXQBSA-N	309.768	3.396	10	20	DGCD	
CN(C)C1CCC(NCc2cc(Cl)cc(F)c2O)CC1	817416213	ROBDCZNCGGNGML-UHFFFAOYSA-N	300.805	3.147	10	20	DGCD	
CCCN1C[C@H](CN[C@H](CC)c2cc(Cl)ccc2O)CC1=O	817588164	CJQJOYMHHUHWDT-SWLSCSKDSA-N	324.852	3.345	10	20	DGCD	
C[C@H](CNCc1ccc(N(C)Cc2cccs2)cc1)N(C)C	824092430	ZXVWGLOOHIHWDN-OAHLLOKOSA-N	317.502	3.424	10	20	DGCD	
CN(Cc1ccc(Br)cc1O)[C@H]1CCSC1	824555217	CPFAIHBFECAOBN-NSHDSACASA-N	302.237	3.092	10	20	DGCD	
C[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccccc1O	827940492	DPWDCGBXTFIBBP-MFKMUULPSA-N	318.398	3.191	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)[C@@H](C)c2ccccc2)c1	828681882	HKAHINNRLDDOKV-CKFHNAJUSA-N	315.413	3.216	10	20	DGCD	
COc1ccc(N(CCOCC(F)(F)F)CC2CC2)cc1	831582632	AOPCRBKBVUNUBW-UHFFFAOYSA-N	303.324	3.491	10	20	DGCD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NCCCSc1nccs1	838515485	WWJGLZNYEOICON-BXUZGUMPSA-N	313.492	3.359	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838775412	XNONWWDPDPOJKR-NJAFHUGGSA-N	315.461	3.473	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CCN2CCC[C@@H]2C1	840895493	YUQZXTAIXZYMOS-ILZDJORESA-N	315.505	3.208	10	20	DGCD	
CC[C@H](CCNCc1ccc(N2CCCCC2)cc1)C(=O)O	841821236	ZBBFUDRYFREYJV-MRXNPFEDSA-N	304.434	3.267	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)CC12CCC2	841960590	TWBJSVSILYCEOP-CQSZACIVSA-N	301.434	3.033	10	20	DGCD	
Oc1cc2c(cc1CNCCC[C@H]1CC1(Cl)Cl)OCO2	846103476	YTSQWEAJQJOCTA-JTQLQIEISA-N	318.200	3.185	10	20	DGCD	
CN(CCN1CCCCC1)Cc1cc(Cl)cc(F)c1O	846113862	BHMASICEIVMIQM-UHFFFAOYSA-N	300.805	3.102	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](Cc2ccccc2)OC)c1O	846170989	QELUIJLZQXRHIE-GDBMZVCRSA-N	315.413	3.309	10	20	DGCD	
CN[C@@H](C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1	848427386	LJFJQXUNACFGBO-GJZGRUSLSA-N	312.413	3.090	10	20	DGCD	
C[C@H](NC[C@@H](C)C(=O)OC(C)(C)C)c1cc(F)cc(F)c1O	848562113	HCOYTYKUXPWYNG-ZJUUUORDSA-N	315.360	3.299	10	20	DGCD	
CCc1cccc(CN[C@@H](C)[C@@H](O)c2cccc(F)c2)c1O	848898851	ZFXRVTBWAMGMJH-YVEFUNNKSA-N	303.377	3.305	10	20	DGCD	
CC[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc(N)cc1	851640487	VZYAMUJMLQVWHH-QGZVFWFLSA-N	300.377	3.088	10	20	DGCD	
Cc1cc(CNC(=O)CCc2cn[nH]c2)c(C)n1-c1ccccc1	863941380	YRGRJBMKTBBMAW-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
Cc1cccc(CCCNC(=O)N[C@H](C)c2ccccc2O)n1	868598252	DKTLZBQBBIMJQI-CQSZACIVSA-N	313.401	3.089	10	20	DGCD	
Cc1cccc2c1N[C@@H](c1cc(Cl)c(F)cc1O)NC2=O	877846016	OIOYXVYYTUTQTC-CQSZACIVSA-N	306.724	3.347	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@H]1CCN(c2ccccc2)C1	882887604	AGRACLHLGKJBFY-CYBMUJFWSA-N	318.367	3.287	10	20	DGCD	
COc1ccc(CNCCCOC2CCCCC2)c(O)c1OC	892462671	UNSFZCZETXUHAR-UHFFFAOYSA-N	323.433	3.238	10	20	DGCD	
COc1ccc(CN[C@@H]2CCCO[C@H]2CC(C)C)c(O)c1OC	893684936	IEVXLIBNQFRTAQ-ZBFHGGJFSA-N	323.433	3.093	10	20	DGCD	
C[C@@H](CCO)N(C)Cc1cc(Cl)cc(Br)c1O	895149904	UHPHCNNYLQVHCY-QMMMGPOBSA-N	322.630	3.011	10	20	DGCD	
C[C@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1cc(F)ccc1O	903240028	SSOROPMLBYSCFE-NSHDSACASA-N	324.396	3.239	10	20	DGCD	
CN(C)c1ccc(/C=C\CNCc2ccccc2CC(=O)O)cc1	903992031	XVWARKHQBXSLDU-WAYWQWQTSA-N	324.424	3.183	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	910950299	VXRATIOQOROMNZ-MELADBBJSA-N	303.402	3.321	10	20	DGCD	
COc1cc(C)ccc1NC(=O)NCc1ccc(N(C)C)cc1	918000558	YMNXDZGGZKCNRS-UHFFFAOYSA-N	313.401	3.391	10	20	DGCD	
CN(C)[C@H]1CCCC[C@H]1NCc1cc(Cl)c(F)cc1O	1117720974	IIFPPHMNXYCZBK-KGLIPLIRSA-N	300.805	3.147	10	20	DGCD	
COc1cccc(O)c1CN1CCC(n2cc(Cl)cn2)CC1	1254373331	COHHNZZFKQTQEX-UHFFFAOYSA-N	321.808	3.088	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccco1	1331554527	RVCZAXRVXYAILE-GFCCVEGCSA-N	304.365	3.295	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(C)(C)CC(=O)O	1334795603	ZXXMRWZFJKNGTJ-UHFFFAOYSA-N	304.434	3.362	10	20	DGCD	
O=C(NCc1cccc(O)c1O)c1cc(C2CC2)[nH]c1C1CC1	1348048896	YCOGPIXVBFXDNP-UHFFFAOYSA-N	312.369	3.111	10	20	DGCD	
COc1ccccc1C1(NC(=O)c2cc(O)cs2)CCC1	1350552849	HSZOCJKWCTZUOJ-UHFFFAOYSA-N	303.383	3.272	10	20	DGCD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(N)cc1	1353394269	XHDHBQPDBWEFCK-FZKQIMNGSA-N	309.413	3.392	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)c1	1599392699	SKORFMURTNYGDQ-LBPRGKRZSA-N	315.369	3.258	10	20	DGCD	
COc1ccc(N(C)Cc2nc(C(=O)O)cs2)cc1Cl	1599584581	YOOZUNJTMGDEKF-UHFFFAOYSA-N	312.778	3.140	10	20	DGCD	
CCCOc1ccc(CNC[C@@H]2CCC[C@@H]2C(=O)O)cc1C	1776822015	VWICZVXRYKRRED-HOTGVXAUSA-N	305.418	3.374	10	20	DGCD	
CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1ccc(O)c(O)c1	24098815	HDZOCQOYFJAJFD-KRWDZBQOSA-N	312.369	3.320	10	20	DGCD	
CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nccs2)c1	48875366	UFCOSJXQPHIBDM-JTQLQIEISA-N	306.412	3.465	10	20	DGCD	
C[C@@H](Cc1cccs1)NC(=O)N(C)Cc1ccccc1O	79414088	DCJOVBRRNXEYDD-LBPRGKRZSA-N	304.415	3.226	10	20	DGCD	
CC(=O)c1ccccc1C(=O)NCCCSc1nccs1	81044246	HJCJRVYGDMJALQ-UHFFFAOYSA-N	320.439	3.258	10	20	DGCD	
COc1cccc(CN2CCO[C@@](C)(c3ccccc3)C2)c1O	93341905	QFQCKUCJVSKQQW-LJQANCHMSA-N	313.397	3.148	10	20	DGCD	
CCN(C)C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1	93770355	CBAQLFWXWCPESH-NSHDSACASA-N	317.260	3.473	10	20	DGCD	
Cc1cnccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	107290576	FFCGVPLEBBYPJQ-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
CC(C)CCC[C@H](C)NC(=O)CN(C)Cc1ccccc1O	111235922	PSGIKSVSMWDVLY-HNNXBMFYSA-N	306.450	3.155	10	20	DGCD	
Cc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n1	122863141	YBGAEMUORDGIOT-UHFFFAOYSA-N	308.385	3.088	10	20	DGCD	
C[C@H]1CC[C@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)C1	132482164	FOMLPAOJANRBLM-KBPBESRZSA-N	302.418	3.304	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C2CC2)CC1	152319301	HIBGDSVLJITORW-UHFFFAOYSA-N	315.461	3.474	10	20	DGCD	
CC(=O)Nc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1	155197672	OGQJJWRZHTYOSN-UHFFFAOYSA-N	311.429	3.343	10	20	DGCD	
Cc1ccc(N2CC[C@@H](N[C@H](C)c3ccccc3O)C2=O)cc1	179875714	UMNDPUDODBTSCB-RHSMWYFYSA-N	310.397	3.157	10	20	DGCD	
CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N(C)Cc1ccccc1O	186215839	MPYSSXTYQZQBIS-DOTOQJQBSA-N	320.433	3.127	10	20	DGCD	
CCOc1cccc(CNc2ccc(OC3COC3)cc2)c1O	186504256	CSENZIHACNOHMU-UHFFFAOYSA-N	315.369	3.181	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2scnc2C)cc1F	186797835	BELBSRPLSFCQKY-VOTSOKGWSA-N	306.362	3.275	10	20	DGCD	
C[C@H](NC[C@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1O	187804625	GEEJYFPIUNLUDC-BBATYDOGSA-N	319.351	3.155	10	20	DGCD	
Oc1ccccc1CN1CCO[C@@H](c2ccc(F)cc2F)C1	190131382	HEEBQIBGLIZDIF-QGZVFWFLSA-N	305.324	3.244	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)[C@H]1CCCNC1	236732241	UVBHPMRVJTXTIG-CVEARBPZSA-N	318.461	3.157	10	20	DGCD	
COc1ccc([C@@H](O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1	268755261	LJWAEULXUFJHBM-KUHUBIRLSA-N	314.429	3.145	10	20	DGCD	
C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1O	273467098	DYVZOYUDAIGQAS-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
CC[C@@H](NC1CCN(c2cc(C)n[nH]2)CC1)c1ccccc1O	275873298	JYPNXNNDZVTCCJ-MRXNPFEDSA-N	314.433	3.133	10	20	DGCD	
CC[C@H](O)CNCc1ccc(N(C)Cc2cccs2)cc1	295764690	SBFAIQPAGYYXBM-INIZCTEOSA-N	304.459	3.245	10	20	DGCD	
CC(C)(C)n1nc(C(=O)NCc2ccccc2O)cc1C1CC1	299567862	OXBVIAQZEDUMES-UHFFFAOYSA-N	313.401	3.151	10	20	DGCD	
CC[C@@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O	319723038	BEWQXUOWOKRQRB-MRXNPFEDSA-N	318.461	3.470	10	20	DGCD	
Cc1c(CNC(=O)N[C@H](C)c2ccon2)n(C)c2ccccc12	349877724	DXGGYZREJCCKOQ-GFCCVEGCSA-N	312.373	3.035	10	20	DGCD	
Cc1c(CNC(=O)NC2CC(F)(F)C2)n(C)c2ccccc12	349919709	IOYFNMVPXPDIJS-UHFFFAOYSA-N	307.344	3.084	10	20	DGCD	
COc1cccc(CNC2CCN(C3CCCCC3)CC2)c1O	365822066	SKDLFSLLHZDAOU-UHFFFAOYSA-N	318.461	3.288	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](N3CCCC3)C2)cc1C(C)C	727170237	UZXMADWBCFMBPO-QGZVFWFLSA-N	302.462	3.494	10	20	DGCD	
COc1cc(OC)c(NC(=O)c2cc(O)cs2)cc1Cl	731864705	DHTUFVCBOFNPCZ-UHFFFAOYSA-N	313.762	3.377	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1C(C)C	734687120	JAXUHEOMNPFLPF-QGZVFWFLSA-N	303.450	3.391	10	20	DGCD	
Cc1ccc(C(=O)OCc2ccc3ccccc3n2)c(O)c1O	736807918	AXQSCCUPJABMQG-UHFFFAOYSA-N	309.321	3.311	10	20	DGCD	
CCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(OC)cc1	744391650	DINQSBWTBPRPHK-GJZGRUSLSA-N	304.434	3.311	10	20	DGCD	
COc1ccc(N(Cc2ccco2)CC2(C)COC2)cc1F	744403952	BSVDNIGJWMLFKY-UHFFFAOYSA-N	305.349	3.470	10	20	DGCD	
Cc1nnc(-c2ccc(NC(=O)NCc3ccccc3O)cc2)o1	747571161	IVRSZEPKOYCRKS-UHFFFAOYSA-N	324.340	3.072	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCc3ccc(F)cc3C2)c1O	749452044	WGNHJLNIESGKMT-UHFFFAOYSA-N	317.335	3.431	10	20	DGCD	
CCCN(Cc1cc(C)c(C(=O)OC)o1)Cc1ccccc1O	750874707	IAOZYMFIMDTVRM-UHFFFAOYSA-N	317.385	3.492	10	20	DGCD	
CCC1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1	752028698	HTLZOJHLYUGRNF-UHFFFAOYSA-N	302.418	3.260	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](CO)c2ccccc2)c2c(O)ccc(F)c21	756584851	HDTJTWQPBFDWFW-KCPJHIHWSA-N	301.361	3.403	10	20	DGCD	
OC[C@H](CC(F)F)NCc1cc(-c2ccccc2)ccc1O	758616103	QAQMBLXRLHTVBE-HNNXBMFYSA-N	307.340	3.165	10	20	DGCD	
Cc1occc1CNC(=O)NCCCSc1nccs1	759568546	GOMDBSVAASVGPT-UHFFFAOYSA-N	311.432	3.026	10	20	DGCD	
C[C@H]1CN(C(=O)NCCCSc2nccs2)C(C)(C)C1	759600971	BRQKYPBQWYIJKT-LLVKDONJSA-N	313.492	3.455	10	20	DGCD	
CCOC(=O)CCN(Cc1ccc(N(C)C)c(F)c1)CC1CC1	769122137	NBXSGXUBBZIIKE-UHFFFAOYSA-N	322.424	3.057	10	20	DGCD	
C[C@H](NCc1nc(-c2ccccn2)no1)c1ccc(N(C)C)cc1	775830049	CAIWOYSABHPTDR-ZDUSSCGKSA-N	323.400	3.048	10	20	DGCD	
COc1cccc(O)c1CN[C@@H]1CCOc2c(F)cccc21	782541787	AXPJUYCFKWPCDV-CQSZACIVSA-N	303.333	3.153	10	20	DGCD	
COCC[C@@H](Cc1ccco1)NCc1cc(C)c(C)cc1O	784625731	MXTYFIYQSHGTFX-INIZCTEOSA-N	303.402	3.339	10	20	DGCD	
O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1cccc(O)c1O	790767476	LJSCYFBWTYDNJW-SKDRFNHKSA-N	321.735	3.176	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N[C@@H]1CCCC[C@H]1C	796305420	LCAXKPWWBAKAFE-RHSMWYFYSA-N	316.445	3.143	10	20	DGCD	
CCC(CC)(CNC1CCN(c2ccc(OC)cc2)CC1)OC	813793132	JSZAQOXWMKLTDS-UHFFFAOYSA-N	320.477	3.459	10	20	DGCD	
COc1ccc(O)c(CNc2nc3ccc(F)cc3n2C)c1	814257165	WNCBWSHOEJYRNR-UHFFFAOYSA-N	301.321	3.039	10	20	DGCD	
Cc1nc(C(C)C)ccc1COC(=O)c1cccc(O)c1O	815234607	MJJVOTGDOACZTA-UHFFFAOYSA-N	301.342	3.282	10	20	DGCD	
C[C@H](NC[C@@]1(C)CCOC1)c1cccc(C(F)(F)F)c1O	815579182	HCSCNZDWIYHQAK-IINYFYTJSA-N	303.324	3.488	10	20	DGCD	
COc1ccc(CNCc2ncc(CSC)s2)c(O)c1	816597094	DHTKMSNQPCTYKF-UHFFFAOYSA-N	310.444	3.010	10	20	DGCD	
CSc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)o1	824670211	WJLBUTFWDGYYIA-UHFFFAOYSA-N	322.405	3.445	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@]2(C)CCOc3ccccc32)c1	827167130	OEZZWDSHNNMVGK-IBGZPJMESA-N	311.381	3.057	10	20	DGCD	
CN(Cc1ccc(F)cc1F)c1ccc(OCC(=O)O)cc1	833695115	HSXNSRBIDFXYEP-UHFFFAOYSA-N	307.296	3.065	10	20	DGCD	
C[S@@](=O)Cc1ccc(CN[C@H]2CCc3cccc(O)c32)cc1	834799242	XQNAJHBXLRGSHV-KSFYIVLOSA-N	315.438	3.048	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)Nc1nnc(C2CC2)o1	840383905	AXZFVRDVGYORMY-LBPRGKRZSA-N	300.406	3.365	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC(c2ccncn2)CC1	840953403	OBXOSIZFGDMEDZ-UHFFFAOYSA-N	303.793	3.215	10	20	DGCD	
C[C@H]1[C@H](CO)CCCN1Cc1cc(Cl)cc(Cl)c1O	840978971	QRIZFIGPTGFYMB-UWVGGRQHSA-N	304.217	3.292	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCN[C@H](C)C1	841005048	DDURHFPVERAAJD-AEFFLSMTSA-N	303.494	3.351	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)COC(F)F)ccc31)CCCC2	843022215	ZQUIDPSIKAVPJF-UHFFFAOYSA-N	309.312	3.202	10	20	DGCD	
C[C@@H](NCc1ccc(CN)cc1F)c1cc(F)cc(F)c1O	844925841	VPXQLCADGKEAHC-SECBINFHSA-N	310.319	3.119	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](c2cccs2)N(C)C)c1O	846135730	FUEFSGAORLYPPR-OCCSQVGLSA-N	320.458	3.416	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](C(C)C)N2CCCC2)c1O	846138627	LSQXLWMMBXQIPX-HOCLYGCPSA-N	306.450	3.172	10	20	DGCD	
CCC(CC)[C@H](CN[C@H](C)c1cccc(OC)c1O)N(C)C	846139077	POMRTQWLKCAROH-CJNGLKHVSA-N	308.466	3.418	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1O	846144978	IXXUFSUTMNONSQ-BHADISHBSA-N	305.418	3.255	10	20	DGCD	
C[C@H]1CCC[C@@H](OCC(=O)NCc2cc(Cl)ccc2O)C1	846477942	XVUNOYNIOKVRTL-SMDDNHRTSA-N	311.809	3.257	10	20	DGCD	
Cc1ccc(O)c(CNc2cncc(OCC(F)(F)F)n2)c1	849347509	MFTLZNIBOOWODR-UHFFFAOYSA-N	313.279	3.044	10	20	DGCD	
COc1cc(CN[C@H](C)Cn2ccnc2)c(O)c(C(C)(C)C)c1	850029947	FRVSCMLEFWNLRE-CYBMUJFWSA-N	317.433	3.073	10	20	DGCD	
CN1CCCc2cc(CNCc3cccc4[nH]ncc34)ccc21	858115934	GNLWFVFAJFTYIS-UHFFFAOYSA-N	306.413	3.235	10	20	DGCD	
COC[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccc(C)o1	858148443	XFVYPHUNBBBEFJ-OAHLLOKOSA-N	324.371	3.410	10	20	DGCD	
CO[C@H](CNC(=O)NCc1cc(C)ccc1O)C1CCCCC1	858623577	WJYXRSLAEKZBAY-QGZVFWFLSA-N	320.433	3.095	10	20	DGCD	
Cc1cccc(O)c1CNCCc1nc2c(s1)CCCC2	877031915	CUJHCJSJLDPXNF-UHFFFAOYSA-N	302.443	3.368	10	20	DGCD	
OC1CCN(c2ccc(CNc3ccc4c(c3)COC4)cc2)CC1	877118581	GYIPACRIANPBAA-UHFFFAOYSA-N	324.424	3.290	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CNC(CF)CF	883132223	JECMEUCOTMBHPH-UHFFFAOYSA-N	314.557	3.205	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H](C(C)(C)C(=O)O)C1	901521512	CEENNHMWIMIGTI-MRXNPFEDSA-N	318.461	3.384	10	20	DGCD	
C[C@@H]1CCc2c(C(=O)NCc3ccc(O)cc3O)csc2C1	910952039	PZWODGXUWLTZTG-SNVBAGLBSA-N	317.410	3.214	10	20	DGCD	
O[C@@H](CNCc1ccc2c(c1)CCO2)c1cccc(Cl)c1	918197491	IBCGEMGQXXTYMB-INIZCTEOSA-N	303.789	3.098	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)Cc1ccccc1	935945996	SIMYRFVSESGRDD-AWEZNQCLSA-N	318.413	3.373	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@H]2CCC[C@H](C)C2)cc1C	1133077259	SGKNSQUMFFUXBA-YOEHRIQHSA-N	318.461	3.036	10	20	DGCD	
CCC[C@]1(CO)CCCN1Cc1ccc(N2CCCC2)cc1	1321025497	PNOIHCJSCDIZHZ-LJQANCHMSA-N	302.462	3.414	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H](C)[S@]1=O	1323981256	LDIYOIIELUWXLT-QXATTWAWSA-N	320.502	3.018	10	20	DGCD	
CO[C@H]1CCC[C@H](C(=O)Nc2c(Cl)ccc3nonc23)C1	1331138120	GPYYETJAODNBFU-IUCAKERBSA-N	309.753	3.020	10	20	DGCD	
Cc1cc(C(=O)CSCC(=O)O)c(C)n1-c1ccccc1	1600077119	MLPCFDRBRDIYNW-UHFFFAOYSA-N	303.383	3.095	10	20	DGCD	
O=C(O)CC1(NCc2c(O)ccc(Cl)c2F)CCCCC1	1608687906	OLNOWARNOFVBOR-UHFFFAOYSA-N	315.772	3.452	10	20	DGCD	
CCC[C@@H](CC(=O)O)NCc1ccc(N2CCCCC2)cc1	1776828406	OFWMZPARKXOEFQ-INIZCTEOSA-N	304.434	3.410	10	20	DGCD	
CCN1CCc2cc(CNCc3ccc(C(=O)O)c(C)c3)ccc21	1776877725	KXDMOGULAMYIBH-UHFFFAOYSA-N	324.424	3.365	10	20	DGCD	
CCN1CCc2cc(CNCCc3cccc(C(=O)O)c3)ccc21	1776877746	RLMFKQHEMZDCQQ-UHFFFAOYSA-N	324.424	3.100	10	20	DGCD	
CCN1CCc2cc(CNCCc3ccccc3C(=O)O)ccc21	1776877765	WNIFVEYDGLGZNN-UHFFFAOYSA-N	324.424	3.100	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@@H](N4CC=CC4)C3)c2c1	172932104	CWBYJFDMEBYNOI-MRXNPFEDSA-N	324.424	3.000	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(C)c2)c1	103507808	UFEWCBCAZRBYOU-ZDUSSCGKSA-N	314.385	3.270	10	20	DGCD	
COc1ccc(C)c2c1N(C(=O)/C=C/c1cccnc1)CCC2	67843191	MMZWGGWLWFVJIV-CSKARUKUSA-N	308.381	3.391	10	20	DGCD	
CC[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	176328576	VZCLRRVREQBRJE-HNNXBMFYSA-N	301.434	3.228	10	20	DGCD	
Cc1ncc([C@@H](C)NCc2ccc3c(c2)CCCN3C)c(C)n1	122926879	XJNDNTRVSRXGIL-CYBMUJFWSA-N	310.445	3.327	10	20	DGCD	
Cc1cccc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O	180217952	RMXIQKBXIQUVQQ-ZDUSSCGKSA-N	308.422	3.046	10	20	DGCD	
C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1	134621711	ZCVNWMSCMKPDMI-HLLBOEOZSA-N	318.436	3.404	10	20	DGCD	
O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(Cl)ccc1O	250767703	SZTXMRWUXIJTJZ-HONMWMINSA-N	309.793	3.263	10	20	DGCD	
C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(N(C)C)cc1	271411566	AFWCSECCLURPDX-FZKQIMNGSA-N	302.393	3.276	10	20	DGCD	
COc1ccc2c(c1)CCCCN2C[C@@H]1CC2(CCC2)C(=O)O1	276956999	LQERHCWWSHCDAC-INIZCTEOSA-N	315.413	3.324	10	20	DGCD	
CCCN(Cc1cccc(OC)c1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	271214394	WGKBRNBHSLDTCJ-BMGDILEWSA-N	319.445	3.426	10	20	DGCD	
CCN(CC)c1ccc(CNCCC[C@H](C)C(=O)O)cc1F	277457194	VJQFMWZLHQUYTD-ZDUSSCGKSA-N	310.413	3.262	10	20	DGCD	
CC[C@H](NC[C@@H](C)Cn1ccnc1C)c1ccc(F)cc1O	286277446	VPBYOVMTPDWHKJ-WBMJQRKESA-N	305.397	3.413	10	20	DGCD	
CC[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1O	806130351	WDEVCWNFCRQYPH-LSDHHAIUSA-N	318.804	3.313	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1CC	808095530	IJOFADCYZJOAJB-UHFFFAOYSA-N	304.386	3.370	10	20	DGCD	
O=C(Cc1ccco1)NCc1cc(Cl)cc(Cl)c1O	807838979	DOPOLQGEKHHYIE-UHFFFAOYSA-N	300.141	3.151	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](CC)O1	801545648	DBIVCIDIUAFUPQ-RDJZCZTQSA-N	305.418	3.479	10	20	DGCD	
CCn1nc(C)c(CN[C@@H](C)c2cc(Cl)cc(C)c2O)n1	818345811	PJZMBEJPMQKFLG-JTQLQIEISA-N	308.813	3.125	10	20	DGCD	
CCOc1ccc(CN[C@H](C(C)C)C2(CO)CCC2)c(O)c1	814171868	XJSYBJISMXGMJI-QGZVFWFLSA-N	307.434	3.068	10	20	DGCD	
O=C(c1cccc(O)c1O)N1C[C@H]2CCCCN2c2ccccc21	819021284	XZEALRBOTUCHQU-CYBMUJFWSA-N	324.380	3.117	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C(C)(C)CO2	810156539	KTTVYJRLEYZCJT-UHFFFAOYSA-N	311.381	3.334	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@H](O)c1ccc(F)cc1	816528562	IDNZBWREYYIEGA-HNNXBMFYSA-N	313.731	3.147	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H](C)c1ccc(C)c(C)c1O	815633514	PVHRBJUOLKXDHT-ZFWWWQNUSA-N	306.450	3.212	10	20	DGCD	
CCOc1cccc(CN2CCc3cc(OC)ccc3C2)c1O	827304950	KJSLXURQGHYFHZ-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
O=C(CC1CC(F)(F)C1)NCc1ccc(N2CCCC2)cc1	824983597	ZGYGUMXWKTXEFK-UHFFFAOYSA-N	308.372	3.338	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)[C@H](O)Cc2ccccc2)cc1Cl	825370125	JLOMUDNOIBMGHH-SUMWQHHRSA-N	319.832	3.436	10	20	DGCD	
CCOc1ccc(CN[C@@H](C(C)C)[C@@H](CO)C(C)C)c(O)c1	824845368	KFDCQLAXCQJSRU-WMZOPIPTSA-N	309.450	3.170	10	20	DGCD	
Cc1cc(CN(C)[C@H](C)C[S@](C)=O)ccc1N1CCCCC1	828785153	CLMKNTQHTFUVHB-ZHRRBRCNSA-N	322.518	3.184	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2ccc(CO)cc2)C2CC2)cc1	821033372	RIDJDEXOSLFKTN-UHFFFAOYSA-N	324.424	3.050	10	20	DGCD	
Cn1cnc(/C=C\C(=O)N2CCCSc3ccc(F)cc32)c1	904809664	WKLHRVJQXGDOHK-XQRVVYSFSA-N	317.389	3.101	10	20	DGCD	
Fc1cc(CNC2CCCCC2)cc(F)c1N1CCOCC1	839146609	OEHWIJHRABSRKR-UHFFFAOYSA-N	310.388	3.224	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)CC3COC3)c2C)c1	913167382	SJNOUAWNIVECBN-UHFFFAOYSA-N	312.413	3.055	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](CO)[C@H](C)c2ccccc2)c1O	846152960	WADIAJXSCKQOSC-JKIFEVAISA-N	315.413	3.216	10	20	DGCD	
C[C@H](N[C@H](CCO)c1ccccc1F)c1ccc(F)cc1O	842924430	QCCJKNVXJQUANG-MEDUHNTESA-N	307.340	3.445	10	20	DGCD	
CCOc1ccc(O)c(CN2C[C@H](C)OC3(CCCC3)C2)c1	843435896	ZQQHQJUDNOQJFK-AWEZNQCLSA-N	305.418	3.324	10	20	DGCD	
CC1CCN(c2nnc(Sc3nccs3)n2C2CC2)CC1	914862334	BOQURVNLZRMNFV-UHFFFAOYSA-N	321.475	3.457	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C)[C@@H]2CCN)c1O	846226377	LSUNYZQWXQGEQJ-BZNIZROVSA-N	324.852	3.198	10	20	DGCD	
O=[N+]([O-])c1cc(CNCC(F)(F)F)ccc1N1CCCCC1	743619106	KECDZKVVQVZWFV-UHFFFAOYSA-N	317.311	3.237	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@@H]1CCCN2CCCC[C@H]12	848927255	DHYZRIGEKSNBJK-HUUCEWRRSA-N	312.816	3.291	10	20	DGCD	
Nc1ccc(CC(=O)NCCOc2ccc3ccccc3c2)cc1	746313968	BGAMFSUWPAJSMJ-UHFFFAOYSA-N	320.392	3.160	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1cncnc1C	848552961	GTBAUIXLNMPTOR-ZBFHGGJFSA-N	312.461	3.441	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@@H]1C1CC1	840491138	NWOCFMIQWKMGON-KOMYPQRHSA-N	301.386	3.054	10	20	DGCD	
CCO[C@H](CC)C(=O)NCc1ccc(N2CCCCC2)cc1	742469116	YYUHGJHGVHMWBT-QGZVFWFLSA-N	304.434	3.108	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC3(CCNCC3)C2)cc1	843120197	SJHKKOGGVUKKOR-UHFFFAOYSA-N	301.478	3.108	10	20	DGCD	
CS[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C	752879353	XRJNPDHHMUWICK-QPBFKRLHSA-N	309.431	3.005	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2CCCN2CC(F)(F)F)c1	926923595	WRWQQGNPDBHZJH-STQMWFEESA-N	316.367	3.378	10	20	DGCD	
COc1cc(CNC[C@@H](OC)C2CC2)c(O)c(C(C)(C)C)c1	850311704	ZBTQYUFTQJRVQP-MRXNPFEDSA-N	307.434	3.213	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)Cc2ccccc2)cc1Cl	757856878	IFJUYNJASBOLRP-OAHLLOKOSA-N	305.805	3.388	10	20	DGCD	
CN(Cc1ccc(Cl)s1)C(=O)CN(C)c1ccc(N)cc1	863557482	PIQCNKKMNSVKSU-UHFFFAOYSA-N	323.849	3.079	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1nc(-c2ccccc2)no1	765959119	OMFOMVDYTORLAK-UHFFFAOYSA-N	324.340	3.106	10	20	DGCD	
CN(Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)ccc1O	768183161	NFVDTYFOVPKFMV-UHFFFAOYSA-N	319.788	3.449	10	20	DGCD	
CCOc1ccc(CNCCN2CCCC(C)(C)C2)c(O)c1	767738792	NQZMOVGDAYMFBM-UHFFFAOYSA-N	306.450	3.003	10	20	DGCD	
C[C@@H](NC(=O)NCCCOc1ccccc1)c1ccccc1O	868033023	ZHPVDEGJYXSBLD-CQSZACIVSA-N	314.385	3.222	10	20	DGCD	
CC(C)OCc1noc(CN(C)c2ccc(OC(C)C)cc2)n1	1119767720	CEQYAYWFEPFNJR-UHFFFAOYSA-N	319.405	3.418	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H]2C[C@@H](C)O)cc1F	769450177	BNBMONLTGRYSIF-ZBFHGGJFSA-N	308.441	3.407	10	20	DGCD	
Cc1nc([C@@H](C)NCc2ccc(N3CCCCC3)cc2)no1	1117600911	PUOGFJLBTNJDSF-CYBMUJFWSA-N	300.406	3.219	10	20	DGCD	
C[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccc(N(C)C)cc1	773135474	NBEYRTINXYFDKI-CYBMUJFWSA-N	323.400	3.117	10	20	DGCD	
COc1ccc(Cl)c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1	779503375	NALKZZIWGFRKLN-XVNBXDOJSA-N	319.744	3.412	10	20	DGCD	
CCC1(CNCc2ccc([N+](=O)[O-])c(OC)c2O)CCCC1	775035393	ZAQZZZFCRCPEST-UHFFFAOYSA-N	308.378	3.369	10	20	DGCD	
CCOc1ccc(N(C)Cc2c(Cl)ncnc2N(C)C)cc1	788020523	PYNVIMTUZJFUJW-UHFFFAOYSA-N	320.824	3.231	10	20	DGCD	
COc1ccc(CN2CCCC(F)(F)CC2)c(O)c1OC	895572681	BVYLODKMBCTRNQ-UHFFFAOYSA-N	301.333	3.031	10	20	DGCD	
CC(C)(C)[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	790932194	VQWIOSGZQXUZNL-ZDUSSCGKSA-N	301.789	3.432	10	20	DGCD	
CC[C@@H](Nc1cccc(C(N)=O)c1OC)c1ccc(F)cc1O	796935910	HTGBJKJJSWNXLA-CYBMUJFWSA-N	318.348	3.202	10	20	DGCD	
Cc1cc(C)c(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)[nH]1	1331381086	OUIFKCRKGOKFHU-OAHLLOKOSA-N	313.445	3.367	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccn1	1336452766	GECDNTJMWNWZHR-UHFFFAOYSA-N	317.820	3.208	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc([C@H]2CCCC2(F)F)n1C	1355456453	MMTZLQALIWXSRV-GFCCVEGCSA-N	322.359	3.060	10	20	DGCD	
Cc1cccc(OCCN[C@H](C)c2cc(C(=O)O)ccc2O)c1	1600546269	DHFBXZLTEOLGQI-CYBMUJFWSA-N	315.369	3.128	10	20	DGCD	
O=C(O)COc1ccc(N(C/C=C\Cl)C/C=C\Cl)cc1	1610786822	STGAPVJTADKATC-NDBDHSCESA-N	316.184	3.461	10	20	DGCD	
CCN1CCCc2cc(CNC(C)(C)C[C@H](C)C(=O)O)ccc21	1776875128	HQNPFFCBVXBOED-AWEZNQCLSA-N	318.461	3.438	10	20	DGCD	
CCN(C)c1ccc(CNC2(C(=O)O)CC(C)(C)C2)c(C)c1	1776856726	FXENVCOQPASIFY-UHFFFAOYSA-N	304.434	3.184	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc(Cl)c1Cl	159002720	HRQGGZCNSQIJOW-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
CN1CC=C(CNCc2cc(Cl)cc(Cl)c2O)CC1	271832661	OZNRPGNZJCNWPF-UHFFFAOYSA-N	301.217	3.051	10	20	DGCD	
COC1(C)CCN(Cc2c(O)cccc2Br)CC1	707141300	ZJTKWSOADKEVOO-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(Br)cc2O)CC(C)(C)O1	691675499	IYHWHQGKQIVYTR-SNVBAGLBSA-N	314.223	3.154	10	20	DGCD	
CN(Cc1cccs1)C(=O)NCc1ccc(N(C)C)c(F)c1	57647985	ITBUJLAPARSRBN-UHFFFAOYSA-N	321.421	3.295	10	20	DGCD	
CCN(CC)c1ccc(CNc2cn[nH]c(=O)c2Cl)cc1F	66859975	HFSYMQGAWKECPQ-UHFFFAOYSA-N	324.787	3.021	10	20	DGCD	
O=[N+]([O-])c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)cn1	75667396	HSJXWKUBNXAUKO-UHFFFAOYSA-N	321.340	3.160	10	20	DGCD	
Cc1cccc(C)c1NCC(=O)NCc1ccc(N(C)C)cc1	78661807	YFJQSDPPYCPAKQ-UHFFFAOYSA-N	311.429	3.098	10	20	DGCD	
C[C@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	103413692	YCGOJFXJJQVXCL-SMDDNHRTSA-N	314.351	3.300	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc3ccccc23)c1	104900509	MHJLJJRWRPSPCY-GFCCVEGCSA-N	322.364	3.440	10	20	DGCD	
CCc1ccccc1NC(=O)NCc1cc(OC)ccc1O	114566447	DSCXFHOSHGMVRN-UHFFFAOYSA-N	300.358	3.285	10	20	DGCD	
Cc1cc(Br)cc(CN2CCOC(C)(C)C2)c1O	124549403	AXOPTNWQVKZDOY-UHFFFAOYSA-N	314.223	3.074	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cncc(F)c2)cc1F	129295580	ZHIZFZPSLWRODG-UHFFFAOYSA-N	319.355	3.136	10	20	DGCD	
O=C(NCCCSc1nccs1)N1Cc2ccccc2C1	154604633	DCLVOBZLRJTLDP-UHFFFAOYSA-N	319.455	3.351	10	20	DGCD	
CN(C)C(=O)CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	171127641	XOBOKLUWKRIJJO-UHFFFAOYSA-N	320.477	3.165	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cc(F)ccc2F)c1	172055056	ZCMDVLRWUCNCGN-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
CCCc1ncc(C(=O)N[C@H](C)c2cc(OC)ccc2O)s1	173131050	TVMRKLAXZMPQFF-SNVBAGLBSA-N	320.414	3.301	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c(O)c1O	182577332	BLKTYJNOMLLVJT-UKRRQHHQSA-N	311.381	3.424	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c(O)c1	186326557	YUKSULFBFCFJLS-GFCCVEGCSA-N	312.369	3.229	10	20	DGCD	
CC(C)(C(=O)NCCc1ccc(N)cc1)c1ccccc1F	236710042	SNFYYWVLAYGCPF-UHFFFAOYSA-N	300.377	3.044	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CCCc1nc(C)no1	270840643	FVJGOQDEGHANFB-UHFFFAOYSA-N	301.390	3.162	10	20	DGCD	
CN(Cc1cc(F)ccc1O)C[C@@H]1OCCc2ccccc21	272230413	DPWQEAOTXNQYKR-SFHVURJKSA-N	301.361	3.277	10	20	DGCD	
CC(C)[C@H](CCO)N[C@@H](C)c1ccc(Br)cc1O	273596457	QVLUVGGHOCANBF-GWCFXTLKSA-N	316.239	3.212	10	20	DGCD	
CCC(C)(C)C(=O)NCc1cccc(Br)c1O	277599937	UCVDWNOKWBQTTL-UHFFFAOYSA-N	300.196	3.207	10	20	DGCD	
COCCCN1CCC(N[C@@H](C)c2c(C)cc(C)cc2O)CC1	293807292	RJJIYEZSOMRZKV-INIZCTEOSA-N	320.477	3.161	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1	298376025	NTSBTSWOCWIEEE-UHFFFAOYSA-N	309.413	3.261	10	20	DGCD	
Cc1nnc(CCN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)s1	391840704	MJFFFUAWNGVZLU-JQWIXIFHSA-N	303.431	3.241	10	20	DGCD	
CO[C@@H](CC(C)C)C(=O)NCc1c(C)c2ccccc2n1C	415556663	GWLNJBVOLDCHSD-KRWDZBQOSA-N	302.418	3.164	10	20	DGCD	
COC(C)(C)CN(C)Cc1c(O)cccc1Br	707142142	GJGOJRMFUNBVAK-UHFFFAOYSA-N	302.212	3.012	10	20	DGCD	
CCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C	727239743	LTJQFSCHURIGFV-HNNXBMFYSA-N	319.449	3.024	10	20	DGCD	
COc1cc2ccccc2cc1C(=O)NCc1ccccc1O	748354279	YGIAGICVTITWKD-UHFFFAOYSA-N	307.349	3.484	10	20	DGCD	
Cc1nc(-c2ccccc2NC(=O)NCc2ccccc2O)no1	748446081	CEHSZTAIDFYHIV-UHFFFAOYSA-N	324.340	3.072	10	20	DGCD	
CCC[C@@H](O)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1	750317374	WZAKXJDDRGFKEX-GOSISDBHSA-N	318.461	3.090	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1F	753857091	JOYCMEGHRQZWLQ-UHFFFAOYSA-N	318.367	3.296	10	20	DGCD	
C[C@@H](NC1CC(C)(C)NC(C)(C)C1)c1cc([N+](=O)[O-])ccc1O	756362540	JVCMWVUWMFLSKY-LLVKDONJSA-N	321.421	3.260	10	20	DGCD	
Cc1ccc([C@@H](C)NCC(=O)N(C)C2CCCCC2)c(O)c1C	756639360	XOBCYGJBRZPQIR-OAHLLOKOSA-N	318.461	3.451	10	20	DGCD	
CC[C@@]1(C)CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	758728358	GWPFJRUGSIPEBO-IBGZPJMESA-N	315.461	3.401	10	20	DGCD	
CC(C)[C@@H](C)N(C)C(=O)NCCCSc1nccs1	759590977	OHWWGTGHJNXPES-LLVKDONJSA-N	301.481	3.311	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]2C(=O)OC(C)(C)C)cc1C	769497249	BCMTVDBBKRYIRI-OAHLLOKOSA-N	305.418	3.315	10	20	DGCD	
COc1cccc(CNC(=O)Cc2cc3ccccc3o2)c1O	769502984	DQGZETOXIYMIFV-UHFFFAOYSA-N	311.337	3.006	10	20	DGCD	
CC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)N(CC)CC	769564021	QPQVACVPCVCOQN-KRWDZBQOSA-N	318.461	3.008	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H]3[C@@H](CCCN3C)C2)cc1	773766311	RPJPIWSXUTVAEO-HKUYNNGSSA-N	301.478	3.059	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(F)cc2C)c1O	774937353	YCPDZBMVXIKVFE-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
CC[C@@H](N[C@@H]1CCc2n[nH]cc2C1)c1cc(Cl)ccc1O	775522396	OIQKZZAUSSJHST-TZMCWYRMSA-N	305.809	3.367	10	20	DGCD	
C[C@H](NCC(=O)NCC1CCCCC1)c1ccc(N(C)C)cc1	775830135	DDMQDOOGKTUMIQ-HNNXBMFYSA-N	317.477	3.100	10	20	DGCD	
CC(C)COc1ccccc1CNC(=O)c1cccc(O)c1O	790565365	QWDZRTHFTYVBIV-UHFFFAOYSA-N	315.369	3.063	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c(O)c1	792983957	GTZJAGLAUDPVBG-DZGCQCFKSA-N	320.433	3.415	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c(O)c1O	798008733	RIVBUWSPCBQWIM-UONOGXRCSA-N	317.772	3.346	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cc(Cl)cc(C)c1O)[C@@H]1CCCO1	808715493	GWRHXEQGHZJMGA-CQDKDKBSSA-N	313.825	3.199	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCSC2)cc1	810164500	ILPZDTWNVDHZLD-HNNXBMFYSA-N	306.475	3.292	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ccnc(Cl)c2C)c1O	810291760	BMHZNFDNFREGLG-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)[C@@H](C)OC)cc1	811958021	PXWTWZZZBWUVBY-HUUCEWRRSA-N	321.465	3.098	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]1(C)CC1(F)F	817458240	WKFSYWFGZNUQBP-LRDDRELGSA-N	310.388	3.154	10	20	DGCD	
CC[C@@H](NCC1=CCNCC1)c1ccc(C(F)(F)F)cc1O	817967023	COGZYYSEATVHRW-CQSZACIVSA-N	314.351	3.371	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C(C)C)[C@@H](C)N)cc1	826019837	LGHMETRFWGFVPY-CRAIPNDOSA-N	319.493	3.111	10	20	DGCD	
C[C@@H](O)C1(NCc2ccc3c(c2)CCN3Cc2ccccc2)CC1	827585582	MCZGPTGJGRWFHV-MRXNPFEDSA-N	322.452	3.252	10	20	DGCD	
C[C@H](CC(=O)N[C@H](C)c1ccccc1O)C(=O)c1ccccc1	827937370	UEVRVCNXFSQDCZ-ZIAGYGMSSA-N	311.381	3.479	10	20	DGCD	
Cc1cc(CN2CCC(C)(O)CC2)ccc1N1CCCCC1	828047730	WYEQQRJOPVMEQD-UHFFFAOYSA-N	302.462	3.332	10	20	DGCD	
CC(C)(C)Cc1csc(NC(=O)Cc2ccc(N)cc2)n1	831522787	XJBNXYRDSCLQOI-UHFFFAOYSA-N	303.431	3.495	10	20	DGCD	
Cc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1C(=O)O	832944677	JUDIPAKQISMBPR-UHFFFAOYSA-N	314.341	3.063	10	20	DGCD	
COC(=O)c1cnc(SC[C@H](O)[C@@H](C)c2ccccc2)s1	834382643	OJLDZTUCCGAZNY-JQWIXIFHSA-N	323.439	3.186	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCc2nc(C3CC3)n[nH]2)c1O	834870870	LFNYXRCBFAHYLI-SECBINFHSA-N	306.797	3.200	10	20	DGCD	
Cc1ccc(C[C@@H](CO)NCc2ccc(N(C)C)cc2)cc1C	835072365	GFBAEQGHIQAMKH-IBGZPJMESA-N	312.457	3.063	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[C@@H]1C1CC1	840394015	LTWWQMYSOVDJBC-GOEBONIOSA-N	302.418	3.360	10	20	DGCD	
COc1cc(CNc2ccc(N)cc2)ccc1OC(=O)C1CC1	841040172	KXFOLIBVWYUTKJ-UHFFFAOYSA-N	312.369	3.205	10	20	DGCD	
CCN(CC)c1ccc(CNCCC[C@H]2CCCN2)cc1F	841072314	ILFMEIMWCLYCQO-INIZCTEOSA-N	307.457	3.294	10	20	DGCD	
C[C@H](NCCC(=O)N1CCCCCC1)c1ccc(Cl)cc1O	841746572	IJXNMCNSSPKSFZ-ZDUSSCGKSA-N	324.852	3.489	10	20	DGCD	
COCc1nc(CN[C@@H](C)c2ccc(Cl)cc2O)cs1	841753264	FTHMWFXUDLAAKF-VIFPVBQESA-N	312.822	3.499	10	20	DGCD	
CCS[C@@H]1CC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)C1	841960649	URUUAIDQNIJYAM-JKSUJKDBSA-N	321.490	3.127	10	20	DGCD	
CCOC(=O)c1coc(N[C@@H](C)c2ccc(N(C)C)cc2)n1	842035198	JEGWVAIVXDMVAY-NSHDSACASA-N	303.362	3.090	10	20	DGCD	
CCNCC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	843055784	PPRRBYHPEVQOKC-UHFFFAOYSA-N	315.505	3.498	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC[C@@H]([C@@H]2CCCNC2)C1	843126047	FFULDVJIRJXCNT-ZIAGYGMSSA-N	308.853	3.257	10	20	DGCD	
Nc1ccc(Cc2noc(COc3ccc4c(c3)CCC4)n2)cc1	843160059	VEYAMUPHDWLNRO-UHFFFAOYSA-N	321.380	3.310	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](CO)c2c(F)cccc2F)c1O	846151697	DWNKRUIXENPILP-IINYFYTJSA-N	323.339	3.063	10	20	DGCD	
COc1cc(CNCCOCC(F)F)c(O)c(C(C)(C)C)c1	850272682	ZJMKFNILZLQTJJ-UHFFFAOYSA-N	317.376	3.070	10	20	DGCD	
CCn1cc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)nn1	850522174	GNDHBTKEIYXVGH-HNNXBMFYSA-N	313.449	3.139	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CNC(=O)C1	851879877	QDBAUNMQBUSBRV-HOTGVXAUSA-N	324.424	3.092	10	20	DGCD	
COc1ccc(F)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	857081720	QRPGIUZMZPIOCD-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
Cc1cc(CN(C)CC2(C)COC2)ccc1N1CCCCC1	859571192	HAMBOQHMRNUQPG-UHFFFAOYSA-N	302.462	3.454	10	20	DGCD	
C[C@H](NC(=O)c1ccc(C=O)s1)c1ccc(N(C)C)cc1	867503323	JWECGWMVCXRJCE-NSHDSACASA-N	302.399	3.118	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(OC)ns2)cc1F	877027956	VTOIXUFFKPYYMY-UHFFFAOYSA-N	323.437	3.427	10	20	DGCD	
COC(=O)C(C)(C)[C@@H]1CCCN(Cc2c(C)cccc2O)C1	877175044	XFOIXEQUCBVPJL-CQSZACIVSA-N	305.418	3.112	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H]1CCN(c2ccccc2F)C1	877542684	VGOYNLDQCICTFZ-OAHLLOKOSA-N	314.404	3.456	10	20	DGCD	
Cc1cc(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)ccc1N1CCCCC1	886573155	WLIXDDBFYWEVHP-NSHGMRRFSA-N	314.473	3.188	10	20	DGCD	
C[C@H](NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1c(O)cccc1F	886612492	MKSYYHNFDWHMHM-ZBQZNYHESA-N	315.388	3.348	10	20	DGCD	
Cc1sc(CC2CC2)nc1-c1cn(-c2ccc(N)cc2)nn1	887511858	XFFHGLFOCGFKBF-UHFFFAOYSA-N	311.414	3.234	10	20	DGCD	
C[C@H](Cc1cccnc1)NCc1cccc(Br)c1O	897969442	JQUCICIDVUZRJF-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
O=C(O)CC[C@@H]1CCCC[C@@H]1NCc1cc(F)cc(F)c1O	904017259	IIBSIGOOXNTCBK-HZMBPMFUSA-N	313.344	3.184	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)Nc1ccccc1	921731717	NERVBULPBPOPSY-AWEZNQCLSA-N	310.397	3.128	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1cccc(O)c1	935944215	NRXWDAKTLDRKDS-GFCCVEGCSA-N	320.385	3.003	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)(C)C	1117748317	WHFDIOZWSZTFQQ-UHFFFAOYSA-N	307.457	3.198	10	20	DGCD	
COc1ccc(CN(C)[C@H]2CC[C@H](SC)C2)c(O)c1OC	1262357188	BSCHMLKRCRXYGM-STQMWFEESA-N	311.447	3.125	10	20	DGCD	
CCn1nc(C(C)C)cc1C(=O)N[C@H](C)c1ccccc1O	1332382017	VTVMIURNOXZPAL-GFCCVEGCSA-N	301.390	3.223	10	20	DGCD	
Cc1cc(C)nc(NNC(=S)Nc2ccc(Cl)cc2)n1	7556680	DOBAMLYVALXKJL-UHFFFAOYSA-N	307.810	3.060	10	20	DGCD	
COc1cc(C)sc1C(=O)NCc1ccc(N(C)C)cc1	72647498	OMIKNGJLSWNBRO-UHFFFAOYSA-N	304.415	3.061	10	20	DGCD	
CN(Cc1ccccc1O)[C@@H]1CCCN(c2ccccc2)C1=O	115543726	JNYRUZALAPDJBE-QGZVFWFLSA-N	310.397	3.020	10	20	DGCD	
CSCC[C@@H](C)NCc1cccc(Br)c1O	125024145	XTJSYTTXSFQAOU-SECBINFHSA-N	304.253	3.386	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCOc2c(Cl)cccc21	158570910	QCBVLIBZDSOJHS-SNAWJCMRSA-N	318.735	3.313	10	20	DGCD	
C[C@H](NC[C@H](C)N1CCc2ccccc2C1)c1ccccc1O	183455708	NVHOTRRHDOFQAY-HOTGVXAUSA-N	310.441	3.490	10	20	DGCD	
COc1cc(Cl)cc(CN2CCO[C@@H](c3ccco3)C2)c1O	184701280	VQAXAQSHMNTXOX-OAHLLOKOSA-N	323.776	3.221	10	20	DGCD	
C[C@@H](NC[C@@H](CCO)c1ccccc1)c1ccc(F)cc1O	185525334	ANUYZHYPJAYBSM-UKRRQHHQSA-N	303.377	3.348	10	20	DGCD	
Cc1ccc(O)c(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1	189619764	KSPYNZDSWMAHOJ-HIFRSBDPSA-N	317.351	3.274	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2coc(C3CCC3)n2)c1	192790629	WJSRKELSDUCPFP-JTQLQIEISA-N	316.357	3.147	10	20	DGCD	
C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1cc(F)ccc1O	273465869	IUJOVISOBYFWLL-YMTOWFKASA-N	311.303	3.194	10	20	DGCD	
CCCC[C@@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	278190828	RLDJSKQIVJPOFD-JTQLQIEISA-N	316.188	3.191	10	20	DGCD	
CN(C)c1ccc(CNCCc2ccccn2)c(C(F)(F)F)c1	280003551	RZGVKRHJYKHZBR-UHFFFAOYSA-N	323.362	3.499	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccn(C)c1	283603104	LJODEWYSULUSLY-UHFFFAOYSA-N	315.417	3.243	10	20	DGCD	
CCN(CC)c1ccc(CNc2nncn2-c2cccnc2)cc1	287710289	NJRHFAQZZXFBHC-UHFFFAOYSA-N	322.416	3.121	10	20	DGCD	
COc1cc(N(C)Cc2ccccc2O)c(F)cc1[N+](=O)[O-]	302675875	UKJYIHXKAQKSHV-UHFFFAOYSA-N	306.293	3.085	10	20	DGCD	
CN(CCOC(C)(C)C)Cc1c(O)cccc1Br	707131762	JYWQOHDASYXWAC-UHFFFAOYSA-N	316.239	3.402	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@](C)(O)C1CC1	743715197	JGTSVQNHSUDZAX-KRWDZBQOSA-N	318.442	3.046	10	20	DGCD	
COc1cccc(CNC(=O)NCC[C@H]2CCCC[C@H]2C)c1O	745821058	VBEWIUBIAHVKEV-ZIAGYGMSSA-N	320.433	3.416	10	20	DGCD	
CCOc1cc(F)ccc1NC(=O)NCc1ccccc1O	748447138	KVTBVJDIPQFIQE-UHFFFAOYSA-N	304.321	3.252	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)c(O)c1O	751536237	XHDIFYWRKUSSAA-UHFFFAOYSA-N	320.776	3.378	10	20	DGCD	
C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1O	756760128	IMYWOHPIMSBRNC-LRDDRELGSA-N	320.408	3.116	10	20	DGCD	
CCCCC[C@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O	761360070	WEDIHUPIIVYZIE-MRXNPFEDSA-N	317.433	3.062	10	20	DGCD	
COc1ccc(OCCN[C@@H](C)c2ccc(N(C)C)cc2)cc1	764708151	PXHPURCQIRUQFP-HNNXBMFYSA-N	314.429	3.491	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnn1C(C)C	765307641	PTQKVFCVNIWGNH-UHFFFAOYSA-N	314.433	3.192	10	20	DGCD	
COCCN(Cc1ccc(N(C)C)c(F)c1)Cc1ccc(C)o1	769501666	LZHFKGOCFZPBOK-UHFFFAOYSA-N	320.408	3.442	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@@H](O)C(C)C)c1C	770624608	LGMMCWDASNAMIC-GOSISDBHSA-N	314.429	3.149	10	20	DGCD	
C[C@H](NC(=O)NCCc1cccs1)c1ccc(N(C)C)cc1	773111248	MMMVWKKMIYPYGT-ZDUSSCGKSA-N	317.458	3.417	10	20	DGCD	
C[C@H](NC(=O)N[C@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1	773393506	WWYYZWGASMJJIU-AAEUAGOBSA-N	311.376	3.301	10	20	DGCD	
CC[C@H](CSC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773440871	GZXGVGKTNFNZGJ-GXTWGEPZSA-N	309.479	3.254	10	20	DGCD	
C[C@H](CC(F)(F)F)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773447403	IVGPOZAINUGEFC-GHMZBOCLSA-N	317.355	3.454	10	20	DGCD	
CCCN1CCC(N(C)Cc2ccc(N(C)CC)cc2)CC1	773752485	CHAYIQUPLFJXFQ-UHFFFAOYSA-N	303.494	3.449	10	20	DGCD	
C[C@@H](NC(=O)c1cc2ccccn2c1)c1ccc(N(C)C)cc1	775412217	VDQHORIUFXOQRD-CQSZACIVSA-N	307.397	3.496	10	20	DGCD	
CO[C@@]1(C)CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	792179004	MOCSHFGNVLFLJD-KSSFIOAISA-N	319.449	3.024	10	20	DGCD	
CCOC(=O)C1(CNCc2cc(Cl)ccc2O)CCCC1	792194390	CGNLRLMONBDKHH-UHFFFAOYSA-N	311.809	3.259	10	20	DGCD	
CC[C@H](NCc1nccn1C)c1ccc(C(F)(F)F)cc1O	810216355	TXKVGNFURCDKKB-LBPRGKRZSA-N	313.323	3.385	10	20	DGCD	
C[C@@H](N[C@@H](CO)C1CCCC1)c1cc2c(cc1O)CCCC2	810259545	LQMZWJJQCOVZFU-ACJLOTCBSA-N	303.446	3.473	10	20	DGCD	
CCN(Cc1c(O)ccc2ccc(OC)cc12)C[C@@H](C)OC	812303311	OKPCTQYYKOTSTF-CYBMUJFWSA-N	303.402	3.411	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@H](CN)C1)c1ccc(N2CCCCC2)cc1	817982477	SSPHEXLSWUWDTO-XYJFISCASA-N	301.478	3.455	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H](OC)C2CCCC2)c1O	827608447	NEVJLMOGJOBKRC-OAHLLOKOSA-N	313.825	3.349	10	20	DGCD	
CCO[C@@H]1CCCC[C@H]1NCc1cc(F)cc(C(C)=O)c1O	832625357	UKQZRVFIQUPVPU-HZPDHXFCSA-N	309.381	3.171	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCC[C@H]2F)c1	840442360	XOBJHBCLQLDTTH-LERXQTSPSA-N	310.369	3.042	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(OCCN)cc2)cc1	841052611	HCBAPTFZJPCEIU-UHFFFAOYSA-N	313.445	3.482	10	20	DGCD	
C[C@]1(CNCc2ccc(N3CCCCC3)cc2)CCCNC1	841056048	AYRMEZHVVFSHMP-IBGZPJMESA-N	301.478	3.156	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCNC2(CCC2)C1	841089236	JOOYEGMBUALZRO-GFCCVEGCSA-N	315.244	3.463	10	20	DGCD	
Cc1ccc2oc(NC[C@@H](N)c3ccc(N(C)C)cc3)nc2c1	842268973	CZUYDFSSGXRPHM-OAHLLOKOSA-N	310.401	3.314	10	20	DGCD	
Cn1nc(C(C)(C)C)cc1C(=O)NCc1cc(Cl)ccc1O	846474096	YYQWEXUNHBBKOQ-UHFFFAOYSA-N	321.808	3.007	10	20	DGCD	
CC[C@@H](NCC(C)(C)[C@]1(O)CCCOC1)c1ccc(C)cc1O	850563381	XCJPOEAHLOGZEP-APWZRJJASA-N	321.461	3.309	10	20	DGCD	
CC1(C)C[C@]1(C)NC(=O)NCc1ccc(N2CCCC2)cc1	853412125	UFRCHNTUNGWIGH-SFHVURJKSA-N	301.434	3.275	10	20	DGCD	
CCN(CC)c1ncc(CNCc2cc(C)ccc2O)s1	858237100	FVYRQIGLPYFCHY-UHFFFAOYSA-N	305.447	3.293	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNc1cnn(CCF)c1	858246169	WTZHBXQYCRORLS-UHFFFAOYSA-N	304.152	3.477	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(Cl)nc(O)n2)cc1	858352573	BZHCNSVMPPFNHW-UHFFFAOYSA-N	306.797	3.294	10	20	DGCD	
CCN(CC)[C@@H](C(=O)N(C)c1ccc(N)cc1)c1ccccc1	877077830	WABVVWRFKQWJAR-GOSISDBHSA-N	311.429	3.315	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)c(F)cc1O)CC1(C)OCCO1	877670441	QCRQPKACOOKGNE-SNVBAGLBSA-N	317.788	3.064	10	20	DGCD	
CCc1cccc(CN2CCC[C@@H](CCC(=O)OC)C2)c1O	877818073	DORHLUUHKFRRCK-AWEZNQCLSA-N	305.418	3.120	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)nc(C)n1	880307960	BDPHSKKHIGMVHE-UHFFFAOYSA-N	314.389	3.243	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1ccn(CC(F)(F)F)n1	883073495	RLPRGMWAXXSFGF-UHFFFAOYSA-N	307.222	3.041	10	20	DGCD	
COc1cccc(OC)c1CN[C@@H](C)c1c(O)cccc1F	886636151	GSPQTJHVBQPGPP-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1nc2c(s1)CCC2	916671007	ATBSIZVHUSKXAW-UHFFFAOYSA-N	303.387	3.001	10	20	DGCD	
CC(C)[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1cnn(C)c1	927071776	UQERARPRBCVEBL-BDJLRTHQSA-N	318.377	3.082	10	20	DGCD	
Cc1ccccc1C(F)(F)C(=O)N(C)Cc1ccccc1O	1116414639	RQDCJAMGLFIUEM-UHFFFAOYSA-N	305.324	3.451	10	20	DGCD	
CCOc1ccc2c(c1)CN(C(=O)c1cc(O)cs1)CC2	1261667151	MVQJBWZAOWYZHW-UHFFFAOYSA-N	303.383	3.051	10	20	DGCD	
CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1	1320521304	IHJOBXDXGWHKFH-ZDUSSCGKSA-N	313.401	3.037	10	20	DGCD	
COc1cccc([C@H](C)NCCc2ccc(N(C)C)cc2)c1O	1326532501	BJGQHUDSVJVQIW-AWEZNQCLSA-N	314.429	3.360	10	20	DGCD	
Nc1ccc(CNC(=O)NCC2(C(F)(F)F)CCCC2)cc1	1335590335	KYGXWNUFYHPQDS-UHFFFAOYSA-N	315.339	3.191	10	20	DGCD	
Cc1ccc(OCC(=O)Nc2c(Cl)ccc3nonc23)cc1	1339438888	SHBGSNWPNTWLMR-UHFFFAOYSA-N	317.732	3.202	10	20	DGCD	
C[C@@H]1CCC[C@H](CNC(=O)NCCc2ccc(N)cc2)[C@@H]1C	1576676736	DKTYKJHQEBHYGP-IIAWOOMASA-N	303.450	3.183	10	20	DGCD	
COc1cccc(CNc2cccc(CCC(=O)O)c2)c1O	1594129193	BBXXDMMSDJLMIJ-UHFFFAOYSA-N	301.342	3.030	10	20	DGCD	
O=C(O)CN(Cc1ccccc1)Cc1c(O)ccc2ccncc12	1608748157	SBCLWZMLRJNIRV-UHFFFAOYSA-N	322.364	3.027	10	20	DGCD	
COC(=O)c1occc1CN1CCCc2cc(OC)ccc21	27959891	MVBOTPYEYUUPPS-UHFFFAOYSA-N	301.342	3.028	10	20	DGCD	
CCOC1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	40689703	QCOIGWVMFJLBON-UHFFFAOYSA-N	311.809	3.249	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1	92066532	SOPIYSCLJJLXOC-CXAGYDPISA-N	320.864	3.494	10	20	DGCD	
COc1cccc(CN2CCO[C@H](c3ccccc3C)C2)c1O	93478484	OPGHFHXBRVQXMX-SFHVURJKSA-N	313.397	3.283	10	20	DGCD	
Fc1cc(CN2Cc3ccccc3C2)ccc1N1CCOCC1	119958796	DZRZVYTYGAKILF-UHFFFAOYSA-N	312.388	3.178	10	20	DGCD	
CCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	140937357	OVCSTCYMUPMGNK-GJZGRUSLSA-N	319.449	3.072	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@H]3OCCC[C@@H]3C2)c1O	152794348	VWXZSFORUWKEPP-MLGOLLRUSA-N	323.820	3.249	10	20	DGCD	
CC[C@@H]1CC(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C1	158829646	WLSQFMNCFUSLJD-GFCCVEGCSA-N	324.371	3.257	10	20	DGCD	
Cc1cc(CN2CC[C@H](CN(C)C)C2)c(O)c(C(C)(C)C)c1	172507629	GNVIOZDCFLAKKQ-OAHLLOKOSA-N	304.478	3.382	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCC(=O)Nc2ccccc2)c1	185443456	CSCQZFRRENBZMA-CYBMUJFWSA-N	314.385	3.080	10	20	DGCD	
CN(Cc1nc(-c2ccccc2F)no1)Cc1ccccc1O	189107526	QZZUTHAXEVQNEU-UHFFFAOYSA-N	313.332	3.213	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](C)NC(=O)OC(C)(C)C)c1	192684029	GJDQTORADVOZTP-OLZOCXBDSA-N	308.422	3.264	10	20	DGCD	
C[C@H](NCCCC(=O)N(C)C)c1cc(Cl)c(Cl)cc1O	192762475	ZKLAZDOKLVRTCO-VIFPVBQESA-N	319.232	3.218	10	20	DGCD	
Cc1noc(C)c1/C=C1\SC(=S)N(c2cccnc2)C1=O	192775619	IJXPWLVZQLFJKJ-SDQBBNPISA-N	317.395	3.092	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccnc1	195208328	MZTPRRKMEZULLR-CQSZACIVSA-N	324.428	3.024	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1	246741074	OFYVKLGKVSSKBW-QFBILLFUSA-N	314.473	3.458	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1	246894778	UECOEFAOGXPMQS-FXAWDEMLSA-N	313.489	3.201	10	20	DGCD	
CCc1ocnc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	265678826	BEQFBWWLGIGCHE-UHFFFAOYSA-N	313.401	3.108	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H](CO)Cc2ccc(F)cc2)c(O)c1C	273355758	CNMDATWAIXVIRY-PBHICJAKSA-N	317.404	3.402	10	20	DGCD	
Cc1ccc([C@H](C)NCc2cccc(C(=O)N(C)C)c2)c(O)c1	273405882	OJUCXYQBZZGBHK-AWEZNQCLSA-N	312.413	3.253	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccon1	275776003	OYKBJEWXAVQBBK-UHFFFAOYSA-N	302.378	3.183	10	20	DGCD	
CCOc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1	278922808	VAVHHOJCDIFJIG-UHFFFAOYSA-N	318.329	3.320	10	20	DGCD	
Cc1cccc(CN2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1O	281133938	NSALAJOHZOBCNA-KRWDZBQOSA-N	324.424	3.186	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCC2(COC)CCOCC2)cc1	293877207	YNSRFAMEEBBWBT-INIZCTEOSA-N	320.477	3.237	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCC(F)(F)F	355965047	LFNHFNLGBWJINE-UHFFFAOYSA-N	316.323	3.211	10	20	DGCD	
CCOC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)C(C)C	364829851	MSUZZYNKBJKVJB-LJQANCHMSA-N	320.477	3.315	10	20	DGCD	
C[C@H](NCc1cc(Br)ccc1O)[C@@H]1CCCOC1	389098035	RCHFZDYDJLMFBQ-WDEREUQCSA-N	314.223	3.059	10	20	DGCD	
CCN(Cc1cc(C(=O)O)co1)c1ccc(OC)c(OC)c1	737101551	CIHOIULAOLAUGB-UHFFFAOYSA-N	305.330	3.022	10	20	DGCD	
CCOCCCN[C@H](C)c1cc(Br)c(F)cc1O	756343377	YJYKRCQRAHGJNE-SECBINFHSA-N	320.202	3.371	10	20	DGCD	
C[C@@H]1CCCN(CCN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)C1	756414866	JFBOKUICXUDPBP-UMVBOHGHSA-N	306.425	3.401	10	20	DGCD	
CCCC(O)(CCC)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756592270	GWEMOBAKMCVUAM-GFCCVEGCSA-N	310.394	3.282	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1O	756763284	WRSKDWFKQCFSLS-WBMJQRKESA-N	320.408	3.116	10	20	DGCD	
C[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1cc(Cl)ccc1O	756775695	RGPVJCJTWNIDQQ-ABAIWWIYSA-N	323.795	3.439	10	20	DGCD	
COCC1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	778556228	HQBZGPCMYAABRS-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
C[C@H]1CN(Cc2ccccc2O)[C@H](C)CN1Cc1ccccc1	779020827	TZOSVQYUXDSHTM-DLBZAZTESA-N	310.441	3.487	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC[C@](C)(O)CC3)c2c1	794667742	PJXIXMZTNRBARU-IBGZPJMESA-N	315.413	3.291	10	20	DGCD	
O[C@H](CNCc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1	796306963	ZHWFGWSNEWZVFP-OAQYLSRUSA-N	322.452	3.110	10	20	DGCD	
COCC[C@H]1CCC[C@H]1NCc1ccc2c(c1)CCCN2C	800475568	YJWIVVXPSQNMAB-SJLPKXTDSA-N	302.462	3.364	10	20	DGCD	
CN(CCC(N)=O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	809713000	BUTMFJGNWLYBJO-UHFFFAOYSA-N	320.477	3.294	10	20	DGCD	
Cc1cc(Br)c(O)c(CN2CCCc3n[nH]cc32)c1	811497240	LAFGHLLTVBKTDV-UHFFFAOYSA-N	322.206	3.139	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCN2CCCCC2=O)c(O)c1	815577131	HFBCTPJBHPFCQF-HNNXBMFYSA-N	304.434	3.062	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)c3cc4n(n3)CCC4)cc12	817762093	PHAWWEJYWGWDRQ-UHFFFAOYSA-N	309.369	3.157	10	20	DGCD	
Cc1cc(O)c(CNc2ccc(OCCO)cc2)cc1Cl	825019924	PVAOOMICEQLVHS-UHFFFAOYSA-N	307.777	3.337	10	20	DGCD	
COCCCn1cc(C)c(NCc2c(O)cccc2Cl)n1	826686072	JLZQLKWHOSVASS-UHFFFAOYSA-N	309.797	3.199	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(N2CCCC2)c1)c1ccccc1O	827956896	PYPYMALKIQHPNH-CQSZACIVSA-N	310.397	3.483	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)CCCC3)cc1	831748666	JCVWCWGDWBLWAC-UHFFFAOYSA-N	308.381	3.359	10	20	DGCD	
C[C@H]1C[C@H](N[C@H](C)Cc2cnn(C)c2)c2c(O)ccc(F)c21	834896284	JOPOFHDGXWCLFF-WDMOLILDSA-N	303.381	3.034	10	20	DGCD	
Cc1csc(CNC(=O)NCc2ccc(N(C)C)cc2C)c1	836581522	MGBXTWFKCNTROJ-UHFFFAOYSA-N	317.458	3.430	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@H](C1CC1)C(F)(F)F	844661981	CNENVVGDDLJPSC-LLVKDONJSA-N	322.714	3.186	10	20	DGCD	
CC(C)(C)c1cnc(SCc2nnn(C(C)(C)C)n2)s1	848432787	SDBZVLBQMSSTII-UHFFFAOYSA-N	311.480	3.474	10	20	DGCD	
COc1cc(CN[C@H](C)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1	850160181	QBOIZMZQKMWFES-OLZOCXBDSA-N	307.434	3.213	10	20	DGCD	
CCOc1cncc(CN(C)c2ccc(OC)c(OC)c2)c1	857039584	ONKGGDIOUDWYHQ-UHFFFAOYSA-N	302.374	3.134	10	20	DGCD	
CCC[C@H](CNC(=O)NCc1ccc(N(C)C)cc1C)OCC	858681943	KTCZLFRQGPECAC-QGZVFWFLSA-N	321.465	3.065	10	20	DGCD	
FC(F)Oc1ccc(N2CCC[C@H](NCc3ccon3)C2)cc1	873064394	WVVBZRBQHSRVTG-ZDUSSCGKSA-N	323.343	3.035	10	20	DGCD	
CCOC(=O)c1cc(Sc2ncc(Cl)s2)nc(C)n1	882636212	PVLYCOUPLRNTFX-UHFFFAOYSA-N	315.807	3.223	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1O	894783190	QLUZFGINYBUTBT-OAHLLOKOSA-N	315.417	3.386	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NC[C@H](O)Cc1ccccc1	1117364207	UKZKWOHVOLMPKR-USXIJHARSA-N	311.425	3.442	10	20	DGCD	
CC[C@@H](NCc1c(O)cccc1Br)[C@@H]1CCCO1	1118858643	PDYCJPNZVARDMK-OCCSQVGLSA-N	314.223	3.202	10	20	DGCD	
C[C@@H]1CCN(c2nnc(-c3sccc3O)n2C)CC12CCC2	1121366519	QDTZQLZNGNVWGD-LLVKDONJSA-N	318.446	3.266	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@H]2CCCC[C@@H]2C)cc1C	1133058318	WNCLVRSSLNKRFD-YOEHRIQHSA-N	318.461	3.036	10	20	DGCD	
CCCCC(=O)N1CCC(NCc2ccc(OC)c(C)c2)CC1	1199374561	UCHJKLUPBKILNB-UHFFFAOYSA-N	318.461	3.274	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3ccns3)cc2)CC1	1262607546	DMTHMYFCDNNUBE-UHFFFAOYSA-N	315.442	3.309	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(Cl)c(C(=O)O)n2)c(O)c1	1607751765	IIENILADEDXVDS-JTQLQIEISA-N	320.776	3.298	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(CC(F)(F)F)C2CC2)c1O	42776184	QXEORVVSHGYONS-UHFFFAOYSA-N	305.271	3.261	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)Cc2cccc(OC)c2O)C12CCC2	92040980	UEIISLANRJOOAC-JKSUJKDBSA-N	305.418	3.180	10	20	DGCD	
CCN(CC(C)C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	108689947	MZMVRAZSQDJQRL-JXMROGBWSA-N	316.445	3.041	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@@H](CN2CCCCC2)C1	131165724	OCLUALDBOSNEFW-AWEZNQCLSA-N	308.853	3.353	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCc2ncc[nH]2)c1C	171754992	VJLSGEOENAQPQF-UHFFFAOYSA-N	322.412	3.098	10	20	DGCD	
Cc1cc(C(=O)NCC(C)(C)O)c(C)n1-c1cccc(Cl)c1	174823968	HIHSPRNNBRNQRM-UHFFFAOYSA-N	320.820	3.248	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(OCCF)c1	181197253	TVRAZEUUIGQCLW-FNORWQNLSA-N	317.316	3.098	10	20	DGCD	
CC(=O)CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	192914802	ZYSIPNXZFQFEPP-UHFFFAOYSA-N	316.445	3.441	10	20	DGCD	
CCCNC(=O)CCN[C@H](C)c1ccc2ccccc2c1O	194559455	MEWIYJHATMOZKR-CYBMUJFWSA-N	300.402	3.112	10	20	DGCD	
COCCC(C)(C)CNCc1cc(Cl)cc(OC)c1O	230943402	IUEXNAZDKBLWGM-UHFFFAOYSA-N	301.814	3.207	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)cc1	266039733	FWSJTUWDOJIVKJ-NVXWUHKLSA-N	312.413	3.249	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)[C@H](O)c2cccc(F)c2)c1O	267203720	PEKBVCDNJZYAGG-SJCJKPOMSA-N	319.376	3.142	10	20	DGCD	
Nc1ccc(CCNC(=O)c2ccc(OC3CCC3)cc2)cc1	269153970	YINFJBVVMLOPAW-UHFFFAOYSA-N	310.397	3.173	10	20	DGCD	
COc1ccc([C@@H](OC)[C@H](C)NCc2ccccc2O)cc1	271539111	PFHBEBZOBYJCCA-UGSOOPFHSA-N	301.386	3.267	10	20	DGCD	
CC(C)C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCO1	272049064	DQCJPIZISVRQQE-JKSUJKDBSA-N	320.433	3.127	10	20	DGCD	
COc1cccc(N2CC[C@H](N[C@H](C)c3ccccc3O)C2)c1	272831024	HXJTUFCFCCSTLC-CABCVRRESA-N	312.413	3.330	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@]2(C)CCO[C@@H]2C2CC2)c1O	273703668	DYSQKDMQERFQCJ-CVEARBPZSA-N	311.809	3.101	10	20	DGCD	
CC(=O)Nc1ccc(CN[C@@H](C)c2c(C)cc(C)cc2O)cn1	285400635	XDRMGQDRQULCHZ-ZDUSSCGKSA-N	313.401	3.213	10	20	DGCD	
CCOc1cccc(CN2CCCCC[C@@H]2C[C@H](C)O)c1O	289814572	SZPQCVHWADAXMK-GOEBONIOSA-N	307.434	3.306	10	20	DGCD	
CCCc1cc(C(=O)N(CCC)Cc2ccccc2O)no1	295287396	PVTCOJCROHLHLR-UHFFFAOYSA-N	302.374	3.385	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ccc(OC)cc1	299660371	PCBLCUWZWXLXMO-UHFFFAOYSA-N	313.397	3.382	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC1CCN(C2CC2)CC1	315473541	KCSDXZZGEVZTCQ-CJNGLKHVSA-N	300.446	3.465	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNCC(C1CC1)C1CC1	316222916	RSKQHGVOANABNM-UHFFFAOYSA-N	300.446	3.049	10	20	DGCD	
Cc1c(CNC(=O)C[C@H]2CCCCO2)n(C)c2ccccc12	348633977	HCEPAWIENKNGEB-CQSZACIVSA-N	300.402	3.062	10	20	DGCD	
CCC(CC)(CNCc1cc(Br)ccc1O)OC	381290669	XFXMEDZHAQZQIF-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
Cc1ccc(C(=O)OCc2cccc(OC(F)F)c2)c(O)c1O	727003945	FYBOQYLYUAICFS-UHFFFAOYSA-N	324.279	3.365	10	20	DGCD	
COc1ccc(O)c(CNC(=O)C2(c3cccc(C)c3)CC2)c1	734017292	AZXZAYVWSYAHRQ-UHFFFAOYSA-N	311.381	3.057	10	20	DGCD	
Oc1ccccc1CN(C[C@H]1CCCO1)CC(F)(F)C(F)F	736618514	FUHYZXFWJAWBQD-GFCCVEGCSA-N	321.314	3.274	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)C(C)(C)C(=O)O)cc1	738578760	KGVTYSATLJMMIM-UHFFFAOYSA-N	314.385	3.029	10	20	DGCD	
O=C(O)[C@H]1CCN(Cc2cc3oc4ccccc4c3cc2O)C1	739597954	IGZWTUZADKSYKT-NSHDSACASA-N	311.337	3.198	10	20	DGCD	
CCc1cnc(CN(C)c2cc(OC)c(OC)c(OC)c2)s1	753570038	KIZRNSKHLUVOCF-UHFFFAOYSA-N	322.430	3.368	10	20	DGCD	
CCOc1cc(COC(=O)c2cc(O)cs2)ccc1[N+](=O)[O-]	755554416	MTVFLLUQCVDZJV-UHFFFAOYSA-N	323.326	3.118	10	20	DGCD	
COCC(C)(C)CN(Cc1ccccc1O)C[C@H]1CCCO1	756077726	SOJNUSJMWMXHKP-MRXNPFEDSA-N	307.434	3.046	10	20	DGCD	
C[C@@H](NC[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1O	756459572	PKWZZVYINZHPNY-HIFRSBDPSA-N	303.377	3.033	10	20	DGCD	
CC(=O)N1CC[C@H](NCc2ccc(N(C)C)cc2)c2ccccc21	757000997	CXYSAXPYEMOGFM-IBGZPJMESA-N	323.440	3.340	10	20	DGCD	
COc1cc(C)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1O	774933894	RBXXRWGHSHDRLK-UHFFFAOYSA-N	318.329	3.238	10	20	DGCD	
CC[C@@H](NCCN1CCSCC1)c1cc(Cl)ccc1O	775503217	DOCZPQWCOIPIMP-CQSZACIVSA-N	314.882	3.135	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c(O)c1O	780904091	YADITMJOZXWMPZ-MFKMUULPSA-N	301.342	3.053	10	20	DGCD	
Cc1ccc(C(=O)Nc2cn(C)nc2-c2ccccc2)c(O)c1O	781012924	JEPSOGIXPOVQQG-UHFFFAOYSA-N	323.352	3.059	10	20	DGCD	
C[C@@H](O)COC(=O)c1ccccc1N=Nc1ccc(O)cc1	787587321	YPGYEZMYMUQFIP-LLVKDONJSA-N	300.314	3.345	10	20	DGCD	
CC[C@H](NCc1cccn(CC)c1=O)c1ccc(N(C)C)cc1	788607113	IACOAWKLOSCQOX-SFHVURJKSA-N	313.445	3.175	10	20	DGCD	
OCC1(CNCc2c(O)ccc(Cl)c2F)CCCCC1	790974323	RULLBVFNJBWTBO-UHFFFAOYSA-N	301.789	3.217	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNCCc2ccc3[nH]ccc3c2)c1	799348896	WNJNMGHWAYHMNV-UHFFFAOYSA-N	311.341	3.114	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@@H](C)c1cc(Cl)cc(C)c1O	808712019	YYHPTVFVDNUIRR-NSHDSACASA-N	312.841	3.167	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCN(c3ccccc3F)C2)cc1	813792317	WATSOKZSDASAGT-MRXNPFEDSA-N	313.420	3.260	10	20	DGCD	
Cc1cc(CN2CCC[C@H]2C(=O)OC(C)(C)C)ccc1N(C)C	815058782	TXBAZGASHWOQRG-KRWDZBQOSA-N	318.461	3.367	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1	815580110	CFOYSUDHZFXVRD-XHSDSOJGSA-N	318.461	3.307	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCc2nccnc2C)c1O	815651635	YPQITWGEAPEMLD-NSHDSACASA-N	305.809	3.346	10	20	DGCD	
Cc1cc(CN2C[C@H](C)C[C@@H](CO)C2)ccc1N1CCCCC1	817281900	SFJVYKRUDQOGNW-VQIMIIECSA-N	316.489	3.436	10	20	DGCD	
COC1([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)CCOCC1	817589062	SZFTUFLLJYPQOB-GJZGRUSLSA-N	307.434	3.244	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@H]2CCc3cc(F)ccc32)cc1	817938967	WNRRDMUONLWSPB-OALUTQOASA-N	313.420	3.169	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCc3c(F)cccc32)cc1	817938972	WQVJFQPUHLHANZ-MOPGFXCFSA-N	313.420	3.169	10	20	DGCD	
C[C@H](N[C@H]1CCN[C@H](C)C1)c1cc(Cl)c(Cl)cc1O	817971806	QDQJFYTXGFMRHY-UTLUCORTSA-N	303.233	3.490	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](O)c2ccc(F)cc2Cl)cc1	818941910	UDXQZQKGNQOFGS-KRWDZBQOSA-N	322.811	3.368	10	20	DGCD	
CCn1nc(C)c(CN2CCCc3cc(OC(F)F)ccc32)n1	824162233	SQVONAZBVUFYIY-UHFFFAOYSA-N	322.359	3.161	10	20	DGCD	
CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCC1	825123820	CQIURUDEFQGPST-ZDUSSCGKSA-N	308.378	3.367	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@H]1NCc1cc(OCC)ccc1O	827752137	ZGZVYPZLKOQJLL-SJLPKXTDSA-N	321.417	3.002	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1O	827923476	RNBNKIAAEGDQML-CYBMUJFWSA-N	324.380	3.010	10	20	DGCD	
C[C@@H](NC(=O)[C@@]1(c2ccccc2)CCCO1)c1ccccc1O	828539915	WGFCYMFSIIEQKG-KUHUBIRLSA-N	311.381	3.275	10	20	DGCD	
CCCCCC(C)(C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832267281	PKGYKHKOPLCLGI-KRWDZBQOSA-N	319.493	3.475	10	20	DGCD	
Cc1cc(C)c(NC(=O)NCc2ccc(N(C)C)cc2)c(C)n1	836628489	GTFDSPFXHSHWSY-UHFFFAOYSA-N	312.417	3.395	10	20	DGCD	
CS[C@@H](C)CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840334439	NHYVXGIZNXBWEW-KGLIPLIRSA-N	323.506	3.043	10	20	DGCD	
COCC1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	840876662	RSDBRHGCJSNKQN-HIFPTAJRSA-N	308.378	3.156	10	20	DGCD	
CC(C)CC1(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CCC1	843296627	BNHGPCSFWOBRDC-QGZVFWFLSA-N	317.477	3.085	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)/C=C\C2CCCCC2)cc1	843296911	COPOXDPIYWTRIJ-ZHJQRIIBSA-N	315.461	3.005	10	20	DGCD	
COc1cccc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)c1O	846148129	XHALAJNVELPPOR-LBPRGKRZSA-N	316.357	3.202	10	20	DGCD	
CCc1cccc(CN2CCC(OCCOC(C)C)CC2)c1O	848914666	MPADVHOEYAMASC-UHFFFAOYSA-N	321.461	3.361	10	20	DGCD	
Oc1cccc2c1CCN(Cc1cc(Cl)cc(F)c1O)C2	862528692	ALBKQUSVQBQHQS-UHFFFAOYSA-N	307.752	3.449	10	20	DGCD	
Cc1cccc(O)c1CN1CCc2c(ncn2-c2ccccc2)C1	877165209	JRUHVKIETDPGPO-UHFFFAOYSA-N	319.408	3.445	10	20	DGCD	
CN(C)CCOc1cccc(NCc2cc(F)cc(F)c2O)c1	883053726	IPINGQYBSKMFLC-UHFFFAOYSA-N	322.355	3.223	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCC(=O)[C@H]1C	885039810	QSDLAQQWTYKBGD-CYBMUJFWSA-N	316.426	3.349	10	20	DGCD	
OCCN(Cc1cc(F)cc(F)c1O)[C@@H]1CCc2ccccc21	894026142	KZQUAPGERNEGKH-QGZVFWFLSA-N	319.351	3.152	10	20	DGCD	
COC(=O)CC1(NCc2cc(C)cc(OC)c2O)CCCCC1	894139150	BYKIWEXUKFIBOA-UHFFFAOYSA-N	321.417	3.065	10	20	DGCD	
COc1cc(C)cc(CNC[C@H]2CCCO[C@H]2C(C)C)c1O	894316747	OLLSJKZNMDWACW-KDOFPFPSSA-N	307.434	3.250	10	20	DGCD	
COc1cc(C)cc(CNCC[C@@H](C)N2CCCCC2)c1O	894445932	QXBCKVSYLASNOI-OAHLLOKOSA-N	306.450	3.063	10	20	DGCD	
O=C(O)[C@@H]1CCCCC[C@@H]1NCc1ccc2c(c1)CCCO2	900042517	BNUQRQYKAMAELU-CVEARBPZSA-N	303.402	3.135	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc2nc[nH]c2c1	905071641	UOJVVABTMWSWSV-NTEUORMPSA-N	312.398	3.019	10	20	DGCD	
CCOCc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1	1116509816	CQRQYQDHOPNSQK-UXBLZVDNSA-N	313.353	3.286	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1nc(Cl)cs1	1261140549	WSGZEJNBVOZCEN-UHFFFAOYSA-N	315.141	3.238	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCc3cc(C)ccc32)c1	1331510104	CYPWWTNRRVGOAT-KRWDZBQOSA-N	310.397	3.496	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2)c(O)c1OC	1355253548	SCWFOZWNQZLRJW-LBPRGKRZSA-N	319.405	3.038	10	20	DGCD	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(N)cc1	1579886101	DMZJKOWKUDAFHQ-UHFFFAOYSA-N	320.396	3.001	10	20	DGCD	
CC(C)c1ccc(O)c(CN2C[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)c1	1591973636	FDZYENLCEZWSMG-RCBQFDQVSA-N	303.402	3.201	10	20	DGCD	
COc1ncccc1NCc1cccc(Br)c1O	42412091	ULLMEXWGIBWHNK-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CCCCO1	115280550	JMOAVMUHIYIJBA-KRWDZBQOSA-N	304.434	3.027	10	20	DGCD	
COc1ccc(N(C)CC[S@@](=O)c2ccccc2)cc1F	121744150	UNNUQUWGWIKAIW-NRFANRHFSA-N	307.390	3.078	10	20	DGCD	
CC[C@@H](NC1CCN(C(=O)OC)CC1)c1ccc(N(C)C)cc1	153007803	QQLPWNUIOKSQIL-QGZVFWFLSA-N	319.449	3.024	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)OCCO2	161637119	GNCKDEDSAVWNPW-UHFFFAOYSA-N	312.413	3.156	10	20	DGCD	
Oc1ccccc1CN1CCO[C@H](c2ccc(F)c(F)c2)C1	179568446	UAUJEJLZFOAROT-KRWDZBQOSA-N	305.324	3.244	10	20	DGCD	
OCCN(Cc1cc(F)ccc1O)[C@@H]1CCc2ccccc21	180152915	YHSPSLBFKJFNOI-QGZVFWFLSA-N	301.361	3.013	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](Cc3nccn3C)C2)cc1C	182093742	CLMPTIMPKHINCH-MRXNPFEDSA-N	313.445	3.197	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C[S@@](C)=O)c2ccccc2)cc1C	182107706	VVDVMTDZKVEYRT-HTAPYJJXSA-N	317.454	3.218	10	20	DGCD	
CCN1CC[C@@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(OC)c1O	184702180	VSTRXTHRQWCDLW-GJZGRUSLSA-N	324.852	3.113	10	20	DGCD	
C[C@H](NCCC(=O)OC(C)(C)C)c1ccc(F)c(F)c1O	187733867	XLQPATHLVOZNRW-VIFPVBQESA-N	301.333	3.053	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	191479854	NIWMHTPQCKCTHB-AMFBXLIHSA-N	311.784	3.232	10	20	DGCD	
Cc1cc(C(=O)NN2CCCCC2)c(C)n1-c1ccc(F)cc1	215839020	UJMGXYYITYPBPQ-UHFFFAOYSA-N	315.392	3.364	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1	226648198	FGSDULBAYMOMLP-HNNXBMFYSA-N	320.433	3.190	10	20	DGCD	
CCSCCCN[C@H](C)c1ccc(N2CCOCC2)cc1	271643153	BNPZYSCRSGGXHU-OAHLLOKOSA-N	308.491	3.317	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H](CO)Cc2ccc(F)cc2)c1	273449167	FONMVEDPLFZMCT-XJKSGUPXSA-N	303.377	3.094	10	20	DGCD	
CC[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(N(C)C)cc1	282490296	HRYLVTZCTHIYJK-MRXNPFEDSA-N	315.465	3.340	10	20	DGCD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1	282529371	LQVUPFSGAYFWQC-LBTNJELSSA-N	316.445	3.057	10	20	DGCD	
CC[C@H](NC[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1O	285890109	CFGZYUGQXSJKTC-DOTOQJQBSA-N	307.340	3.445	10	20	DGCD	
COCCN(Cc1ccccn1)Cc1cc(C)c(C)cc1O	289668548	DGTFTPRORICTBJ-UHFFFAOYSA-N	300.402	3.053	10	20	DGCD	
C[C@@H](CCCO)CN[C@@H](C)c1ccc(Br)cc1O	296537954	QUYOPGKLGAKVSK-QWRGUYRKSA-N	316.239	3.214	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC1([S@](C)=O)CCC1	393699528	YRYCNNUFIHIOQP-ZNLKAECVSA-N	307.459	3.140	10	20	DGCD	
C[C@@H](c1ccccc1F)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	588404381	OZXKCLTYDYBWQV-CUZBXDDWSA-N	315.344	3.470	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	588405479	VPJXWCYSMQCEDD-HLUYNVHGSA-N	313.397	3.052	10	20	DGCD	
O=C(O)CN(Cc1ccccc1)Cc1cc(Cl)ccc1O	692417114	ZKLNODSILCVVSU-UHFFFAOYSA-N	305.761	3.132	10	20	DGCD	
Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccccc1O	748354885	OQVLAYMOWBLBSE-UHFFFAOYSA-N	308.337	3.286	10	20	DGCD	
C[C@H](NCC(C)(C)N(C)C)c1ccc(Br)cc1O	756343606	PRVWQFKSUXHCOO-JTQLQIEISA-N	315.255	3.146	10	20	DGCD	
C[C@H](NC[C@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1O	756382915	GTARAGMUOIZKLS-VFZGTOFNSA-N	311.303	3.194	10	20	DGCD	
Cc1nnc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)s1	757636960	FUAOVCVQGOTBQQ-JTQLQIEISA-N	303.431	3.282	10	20	DGCD	
C[C@H](NC(=O)COc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CC[C@H]1C2	757705750	XIKGDXAINVNRGJ-YRBFXIGRSA-N	316.445	3.072	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2ccon2)cc1	757851587	NYAVTMQFXHCCBU-UHFFFAOYSA-N	302.378	3.185	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1	770374310	LDASYKSYUJFNBL-GUYCJALGSA-N	320.864	3.494	10	20	DGCD	
COc1ncc(/C=C\C(=O)N2C[C@H](C(C)C)c3ccccc32)cn1	773328997	YDZNADYVFDZHKN-HLRDLLSLSA-N	323.396	3.285	10	20	DGCD	
Cc1cc(Br)cc(CN2CCSC[C@H]2C)c1O	775696401	KIWAAILOASVBNT-SNVBAGLBSA-N	316.264	3.400	10	20	DGCD	
COc1ccc(N2CCC(Nc3ncccc3OC)CC2)cc1	777292472	YJNLYBIEWITCNZ-UHFFFAOYSA-N	313.401	3.180	10	20	DGCD	
COc1ccc(N2CCCN(CC3(OC)CCCC3)CC2)cc1	792167530	VZJDWZDZDZZVEW-UHFFFAOYSA-N	318.461	3.167	10	20	DGCD	
CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1ccc(C)c(O)c1O	794326125	FYTUPRWDIYSACZ-YPMHNXCESA-N	307.390	3.236	10	20	DGCD	
CSCCCN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	798460402	VMLNYZYSIGGZJF-CYBMUJFWSA-N	309.479	3.208	10	20	DGCD	
C[C@H](NC[C@H](CO)CC1CCCC1)c1cc([N+](=O)[O-])ccc1O	798937658	NQOKREGYVSCXTF-GXTWGEPZSA-N	322.405	3.140	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cncc(Cl)n1	802657903	CRZZWMNAFDNVIG-UHFFFAOYSA-N	319.792	3.278	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H]2CCc3c[nH]nc3C2)c1O	808701791	IRFJNAOPXYMFIN-MFKMUULPSA-N	305.809	3.285	10	20	DGCD	
Oc1c(CN2CCC(C3OCCO3)CC2)ccc2ccccc12	816501242	BVCJXZAUOXZJID-UHFFFAOYSA-N	313.397	3.130	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3ccc4ccccc4c3O)CC[C@@H]21	816521237	KLUPJGIADMOLFN-APWZRJJASA-N	310.441	3.462	10	20	DGCD	
CC(C)(C)OC(=O)CCCNCc1cc(Cl)c(F)cc1O	816554093	OMYUKIRIYHHKTC-UHFFFAOYSA-N	317.788	3.396	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](C3CCCC3)C2)c1O	817415649	WDOYKRIAQSCPSG-ZDUSSCGKSA-N	320.389	3.321	10	20	DGCD	
C[C@H]1C[C@@H](C)CN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817950214	WMUUANKRCBFGQX-NEPJUHHUSA-N	315.442	3.187	10	20	DGCD	
C[C@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCC2)c(F)c1	817976853	VNDSFDMWXKXKAH-BPUTZDHNSA-N	323.431	3.167	10	20	DGCD	
OC[C@@H](C1CC1)[C@H](NCc1cc(Cl)c(F)cc1O)C1CC1	824844791	CTYJYECXPKGJCG-BLLLJJGKSA-N	313.800	3.071	10	20	DGCD	
CCc1cccc(C(=O)NCCCSc2nccs2)n1	825823579	XSUIYKDMNSEWLM-UHFFFAOYSA-N	307.444	3.013	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@H](O)Cc2cccc(F)c2)c1	834828804	ZYDMKXFTEUBGKP-XJKSGUPXSA-N	303.377	3.094	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c(O)c1	839191826	KCINWTXROVEREV-JKSUJKDBSA-N	307.434	3.473	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(NC(=O)C2CC2)nc1	840879920	UWIZGLNRTZMGBU-UHFFFAOYSA-N	324.428	3.417	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1cnn(C)c1	840892554	AXKAGKIAYJKZLB-CABCVRRESA-N	300.450	3.076	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@H]1C	840918605	WPYZFDVNIPAARU-APWZRJJASA-N	303.494	3.366	10	20	DGCD	
COc1ccc(C[C@H](C)CNC(=O)Nc2ccc(N)cc2)cc1	841298896	SZAZADWSVNOVEP-ZDUSSCGKSA-N	313.401	3.278	10	20	DGCD	
C[C@@H](NC[C@]1(N(C)C)CCSC1)c1ccc(Cl)cc1O	841756226	WCILOQGULPEAJA-IAQYHMDHSA-N	314.882	3.134	10	20	DGCD	
C[C@@H](N[C@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O	841764590	GWVNHXHJSIHCKP-KOLCDFICSA-N	304.768	3.036	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]([C@H]3CCCNC3)C2)cc1C	843128282	VQNBZNBQIBCDCR-DLBZAZTESA-N	302.462	3.221	10	20	DGCD	
C[C@@]1(F)CCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	844219823	XAAJXPTZOKKESI-ZDTYVGOBSA-N	308.309	3.021	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC[C@H]1F	845263743	ZNPYFYOONLYJIJ-VXGBXAGGSA-N	300.761	3.126	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1O	846144980	IXXUFSUTMNONSQ-XYZKALLWSA-N	305.418	3.255	10	20	DGCD	
CN1CCN(c2ccc(CN[C@@H]3CCc4ccccc43)cc2)CC1	850373770	QAIHHVZLAPKLEB-OAQYLSRUSA-N	321.468	3.216	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccoc1	850566397	NEAOOJWCPKNDDC-AWEZNQCLSA-N	300.402	3.092	10	20	DGCD	
CC[C@H](C)N(CC)C(=O)NCCCSc1nccs1	853855839	HXDHYZHVWJYMRN-NSHDSACASA-N	301.481	3.455	10	20	DGCD	
COc1cccc([C@H](C)C(=O)NCc2cc(Cl)ccc2O)c1	857547707	QLJNPWSLFZFIGC-NSHDSACASA-N	319.788	3.474	10	20	DGCD	
CC[C@H](CNC(=O)NCc1cc(C)ccc1O)CC(F)(F)F	858540271	ZVXBDALUCVASPC-NSHDSACASA-N	318.339	3.478	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC([C@H]3CCOC3)CC2)cc1F	862316476	CJXXTRMWFQUBHV-AWEZNQCLSA-N	324.415	3.279	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CC(=O)O)C2CCCCC2)cc1	864519206	HZXHJGZXAWQDPH-QGZVFWFLSA-N	304.434	3.266	10	20	DGCD	
CC(C)(CC(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1	866769228	INOXJSGVTHTFMQ-UHFFFAOYSA-N	317.360	3.221	10	20	DGCD	
C[C@H](NC[C@H]1C[C@@H](N)C1)c1ccc(N2CCCCC2)c(F)c1	873257410	UTXUJTDITMFRRX-OFQRWUPVSA-N	305.441	3.204	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCc2c(O)cccc21)c1ccccc1O	875314166	IYJSHOXRVKNHCE-IAQYHMDHSA-N	312.369	3.146	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H](O)c1ccc(OC(C)C)cc1	877040050	NIBDJNPZMOGTCS-IBGZPJMESA-N	315.413	3.311	10	20	DGCD	
CSCCCCCNCc1ccc(N2CCC(O)CC2)cc1	877421334	CCLXHSSKAFTVPW-UHFFFAOYSA-N	322.518	3.271	10	20	DGCD	
Cc1ccc(CNC[C@@H]2CCN(c3ccccc3F)C2)c(O)c1	877542548	TVZGTEALHSMEOK-HNNXBMFYSA-N	314.404	3.456	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC2(Cc3ccccc3)CC2)c1	883751701	SPGRMVZOCCIUHN-UHFFFAOYSA-N	310.397	3.275	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1F	886371978	ZKYNMMDQURIJNQ-AWEZNQCLSA-N	322.346	3.075	10	20	DGCD	
CN(C)c1cc(F)c(CNc2nnc(C3CCC3)o2)cc1F	905428316	KNBURVMWXWXTLD-UHFFFAOYSA-N	308.332	3.293	10	20	DGCD	
C[C@H](CCO)C1(CNCc2ccc3c(c2)CCCO3)CCC1	921968374	LVVRQMNPHFCSOS-OAHLLOKOSA-N	303.446	3.290	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H]2C=C[C@H]1C2	922046832	VFUOZRRXPNJXNW-RDJZCZTQSA-N	320.392	3.307	10	20	DGCD	
COCC1(CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)CCOCC1	1324085674	BEUKXXRRYINNON-HUUCEWRRSA-N	319.445	3.282	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1	1327882523	ZDBCVTHWSVGHJL-QGWWYQLQSA-N	300.446	3.300	10	20	DGCD	
O=C(NCc1cccc(O)c1O)C1CC(c2ccc(F)cc2)C1	1347233984	LNWVLMTVLUXKEN-UHFFFAOYSA-N	315.344	3.047	10	20	DGCD	
COc1ccc(F)c2[nH]c(C(=O)Oc3ccc(N)cc3)cc12	1579222985	RBWOUUBIKPJNAS-UHFFFAOYSA-N	300.289	3.117	10	20	DGCD	
CCN(C)c1ccc(CN2CC(C)(C)C[C@H]2CC(=O)O)cc1	1776855511	HLOAQJPNIULUMR-MRXNPFEDSA-N	304.434	3.218	10	20	DGCD	
CCc1noc(CSc2ncc(-c3ccccc3)n2C)n1	22751136	ZXQYTLWLORAKFA-UHFFFAOYSA-N	300.387	3.325	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCN(C)[C@@H](C)CC	66703140	VPQQLXHFKYNXNK-HNNXBMFYSA-N	321.465	3.044	10	20	DGCD	
COc1cc(Br)cc(CN2CCCCC2)c1O	92106922	TXSSUDZNMAHXNR-UHFFFAOYSA-N	300.196	3.149	10	20	DGCD	
Fc1cc(CN2C[C@H]3CCCC[C@H]3C2)ccc1N1CCOCC1	93441990	CZJQKXNOEZGHHU-CALCHBBNSA-N	318.436	3.284	10	20	DGCD	
C[C@@H](O)C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O	93482716	SLONEWKVEHVKPV-SKDRFNHKSA-N	304.217	3.434	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccccc1OCC1CC1	101645707	FSTUAQDKRCZNAE-UHFFFAOYSA-N	311.381	3.453	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C(F)(F)c2ccccc2)c1	104901081	ZUXTZKFQRFMSJU-NSHDSACASA-N	321.323	3.370	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@]1(C)CCCS1	133598043	ZUIXPLIDCSEERR-QGZVFWFLSA-N	321.490	3.146	10	20	DGCD	
O=C(NCCCSc1nccs1)NC[C@@H]1CC=CCC1	152830040	WREHKBLUNMHVNE-GFCCVEGCSA-N	311.476	3.281	10	20	DGCD	
CC(C)[C@H](N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	166471224	LJZSXIYFGRNCMD-SFHVURJKSA-N	317.477	3.055	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccc(F)nc2)cc1	178019958	WCJMDELLYOVJRO-UHFFFAOYSA-N	316.380	3.389	10	20	DGCD	
COCCN(Cc1ncc(C)s1)c1ccc(OC)c(OC)c1	180594607	IGVMYCOJVWWFLR-UHFFFAOYSA-N	322.430	3.122	10	20	DGCD	
Cc1ccc(C(=O)NC[C@@H](C)Cc2cccs2)c(O)c1O	182506263	NCYKCCDQZPDEEI-JTQLQIEISA-N	305.399	3.076	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC[C@@](C)(O)c2ccccc2)c1	187909862	YKZUGNAXFRYVSM-AUUYWEPGSA-N	315.413	3.349	10	20	DGCD	
Cc1ccccc1C[C@H](CO)N[C@@H](C)c1cc(F)ccc1O	191564937	XAMKVCDYHJRKJR-XJKSGUPXSA-N	303.377	3.094	10	20	DGCD	
Cc1ccc(C(=O)NCCN[C@H](C)c2ccc(C)cc2O)cc1	193911363	QIFBESRKNVIFFJ-OAHLLOKOSA-N	312.413	3.090	10	20	DGCD	
COc1cccc(CNc2ccc(C(=O)N(C)C)c(C)c2)c1O	194909494	PVASOVIQUDIQSU-UHFFFAOYSA-N	314.385	3.023	10	20	DGCD	
C[C@H](N[C@H](C)CNC(=O)OC(C)(C)C)c1cc(F)ccc1O	227690834	HVUCFUWKVILIKU-MNOVXSKESA-N	312.385	3.095	10	20	DGCD	
CCC[C@@](C)(O)CN[C@H](C)c1cc(Br)ccc1O	273467134	DZMSIINDUJZIHX-QMTHXVAHSA-N	316.239	3.356	10	20	DGCD	
COc1ccc(O)cc1C(=O)NCc1c(C)c2ccccc2n1C	352126912	YZZTUSGWJXMIBD-UHFFFAOYSA-N	324.380	3.131	10	20	DGCD	
CC[C@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(F)cc1O	367621811	UGKMKYOJKXGZFQ-LZLYRXPVSA-N	301.361	3.230	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cccc(Br)c1	398473372	QNCCRDCRPOAMTC-UHFFFAOYSA-N	321.174	3.476	10	20	DGCD	
O=C1CC[C@H]2CN(C(=O)/C=C\c3cncc(F)c3)c3cccc1c32	492647046	XAVUPNLKJOZRNV-IRBQFCFKSA-N	322.339	3.341	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)C[C@H]3CC[C@H]2C3)c1	528863402	WBXVUAGONIUKJW-RSLFNQERSA-N	303.402	3.404	10	20	DGCD	
Cc1c(CNC(=O)c2ccnn2CC(C)C)n(C)c2ccccc12	563169934	GLFDQRBRJCVCEY-UHFFFAOYSA-N	324.428	3.269	10	20	DGCD	
COC[C@@]1(C)CCN(Cc2ccc(Br)cc2O)C1	691732325	FRDBODPZBLYCAO-AWEZNQCLSA-N	314.223	3.013	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)NCc1cccc(C)c1	732196531	LUYDHFAMSVRNDQ-UHFFFAOYSA-N	324.424	3.073	10	20	DGCD	
COc1ccc(N(CC(=O)Nc2cc(C)on2)CC(C)C)cc1	746171266	XQACTRJBWTZWPB-UHFFFAOYSA-N	317.389	3.093	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c(C)noc1C(F)F	746272055	IWLSIMWGSYBHCU-UHFFFAOYSA-N	323.343	3.225	10	20	DGCD	
C[C@H](NCCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756365830	PBBSQJBPRHQUKJ-ZDUSSCGKSA-N	316.357	3.420	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](C)CCCC(F)(F)F)c(O)c1O	757647082	NVLWUHYRPCEBRJ-SECBINFHSA-N	305.296	3.257	10	20	DGCD	
COc1ccc(N(C)CCc2ccc([N+](=O)[O-])cc2)cc1F	757858168	ZSUVXBKYUZJREV-UHFFFAOYSA-N	304.321	3.421	10	20	DGCD	
CCn1ccnc1CNc1ccccc1OC[C@@H]1CCCCO1	758414007	OVYKYCMITJANBT-HNNXBMFYSA-N	315.417	3.463	10	20	DGCD	
CSCCCN1C(=O)/C(=C\c2ccc(C)nc2)SC1=S	764891857	PBLMTHVZFLWNEN-XYOKQWHBSA-N	324.496	3.344	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)Cc2cc(OC)c(C)cc2O)C12CCC2	768461931	HQVFRXNYLMAXRV-QZTJIDSGSA-N	319.445	3.489	10	20	DGCD	
CN1CCN(c2ccc(-c3nc4c(F)cccc4[nH]3)cc2)CC1	771515230	ZFEGVWAVKOHQFX-UHFFFAOYSA-N	310.376	3.121	10	20	DGCD	
C[C@H](NC(=O)c1cc(Cl)ccn1)c1ccc(N(C)C)cc1	773015613	QSBYTXRPUSQYMV-NSHDSACASA-N	303.793	3.292	10	20	DGCD	
COCc1cccc(CN2CCOc3cc(N(C)C)ccc32)c1	774754635	VWRSUJCOZQIFSS-UHFFFAOYSA-N	312.413	3.298	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2[C@H]3CCCC[C@H]3C[C@H]2C)c1O	774888664	RTOBALZHAQPIEK-DYEKYZERSA-N	320.389	3.462	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC2(CCCC2)C1	783845547	HWMJFDLAILFRLP-ALCCZGGFSA-N	301.386	3.294	10	20	DGCD	
CCCCOc1ccc(C(=O)NCc2ccccc2O)c(O)c1	789816845	PPXJJTKZPWDJGF-UHFFFAOYSA-N	315.369	3.207	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCC(C)(C)C2)cc1	792793121	PINUQPUMCUTRFE-INIZCTEOSA-N	303.450	3.473	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)[C@H](O)c2ccc(C)cc2)c(O)c1	796481521	IAAFTRJZQYVTDW-LIRRHRJNSA-N	315.413	3.311	10	20	DGCD	
CCc1ccc([C@@H](O)CN[C@@H](C)c2cc(F)ccc2O)cc1	797020636	WMFNZMQCOSMQSU-SGTLLEGYSA-N	303.377	3.478	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(C[S@](C)=O)cc2)c(O)c1	797134657	VJQXCGUMMNGERB-PEBXRYMYSA-N	317.454	3.430	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc3nccc(C)c3c2)c1O	802781712	DSMCZHXIQWUOAR-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
CC(=O)N1CCC[C@@H](CN[C@@H](C)c2cc(Cl)cc(C)c2O)C1	808717320	BZISFJLXBWHDCL-JSGCOSHPSA-N	324.852	3.263	10	20	DGCD	
CCOc1ccc(CN(CC)CCCN2CCCC2)c(O)c1	809748967	ADFWGBQIEJJASU-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
CN(C)c1cccnc1CNC(=S)Nc1cccc(Cl)c1	811710082	ZYOZOIWMARTGOC-UHFFFAOYSA-N	320.849	3.288	10	20	DGCD	
C[C@@H]1C[C@@H](CO)CN(Cc2ccc(N3CCCCC3)cc2)C1	817412704	OIORRRGJWHCWBS-SJLPKXTDSA-N	302.462	3.127	10	20	DGCD	
CCc1ccc([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)o1	817942359	OLBGSHGSGHARGM-GUYCJALGSA-N	301.434	3.259	10	20	DGCD	
COc1cccc(CNCc2ccc3c(c2)OC(F)(F)O3)c1O	822480723	FBBKLAWHNFTDLB-UHFFFAOYSA-N	323.295	3.012	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1	823671359	MNXJOLXYKPHCDK-QGZVFWFLSA-N	306.425	3.331	10	20	DGCD	
C[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(N(C)C)cc1	839562907	FMIAGCKEWGVREQ-IFXJQAMLSA-N	323.440	3.357	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC(F)(F)F	839917117	ZSQWDECYBQNHGE-NSHDSACASA-N	302.340	3.061	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H]1C	840716841	BWTGMDLXGUQUBC-BEVDRBHNSA-N	316.489	3.420	10	20	DGCD	
C[C@H](CNC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1	841042738	NCJUYZMWKSZEES-AUUYWEPGSA-N	315.436	3.285	10	20	DGCD	
COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1	841300196	MMJPDXGLCRVCDU-ZDUSSCGKSA-N	311.385	3.299	10	20	DGCD	
C[C@H](NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1O	841743839	KKAHPJCUSYNBAP-NSHDSACASA-N	320.824	3.214	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@H](C)c1ccc(Cl)cc1O	841750437	XGYZLVJOEJFRKT-ABAIWWIYSA-N	321.804	3.438	10	20	DGCD	
C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCCc1ccc(N)cc1	841850227	FVHVEJKGNWXVOO-XJKSGUPXSA-N	303.450	3.325	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1	844353501	QDHLXESBKREFHO-UHFFFAOYSA-N	302.330	3.248	10	20	DGCD	
COc1cccc([C@@H](C)Nc2ccc(CNC(C)=O)cc2)c1O	846164052	UOSMTQKUHCBPNI-GFCCVEGCSA-N	314.385	3.210	10	20	DGCD	
COc1cccc2c1OCC[C@@H]2NCc1cc(F)ccc1O	848927451	FOSKOKFTQDTGTD-AWEZNQCLSA-N	303.333	3.153	10	20	DGCD	
CC[C@H](NC[C@H]1CCCN1CC(F)F)c1ccc(F)cc1O	858478973	FYMSDDQVLFTDOQ-OCCSQVGLSA-N	316.367	3.302	10	20	DGCD	
CCCCc1noc(CN2CCCc3cc(OC)ccc32)n1	862308809	ISEZFGSNXNKCII-UHFFFAOYSA-N	301.390	3.374	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2CC2(F)F)c(C)n1-c1ccccc1	863163392	AQAPZHJXAVRFDB-HNNXBMFYSA-N	304.340	3.366	10	20	DGCD	
CC[C@@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@H](C)O	863940953	RFODZNXTXFGOQG-MAUKXSAKSA-N	314.429	3.117	10	20	DGCD	
CN=[S@](C)(=O)c1cccc(NCc2cccc(OC)c2O)c1	864014854	XWDWAQZHYMJRBT-JOCHJYFZSA-N	320.414	3.099	10	20	DGCD	
C[C@@H](NCCn1ccc(C(F)(F)F)n1)c1cc(F)ccc1O	872109240	JKHMPFJDPJYMQR-SECBINFHSA-N	317.286	3.097	10	20	DGCD	
COc1cc(C(=O)N(C)c2ccc(N)cc2)ccc1OC(C)C	877078922	JROWQTUEOSZGDV-UHFFFAOYSA-N	314.385	3.341	10	20	DGCD	
C[C@H]1CC(C)(C)CN1Cc1ccc(N2CCC(O)CC2)cc1	877590731	FTAZHJKZCZYZIN-HNNXBMFYSA-N	302.462	3.268	10	20	DGCD	
C[C@H]1CCCC[C@H]1N(C)C(=O)CN[C@H](C)c1ccccc1O	879648514	RRZVNLWXYBDNPS-SQWLQELKSA-N	304.434	3.080	10	20	DGCD	
CO[C@H](C)c1nc(CNCc2cc(F)cc(F)c2O)cs1	883032425	IUFXHSSSQKEKGZ-MRVPVSSYSA-N	314.357	3.124	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)C[C@@H](O)c2cccs2)c1O	894370364	JXOZDPJZQVWZQW-TZMCWYRMSA-N	321.442	3.373	10	20	DGCD	
CN(C)c1ccc(CN[C@]2(C)CCCC[C@H]2C(=O)O)cc1F	901820971	NCULDUUZZQSFSF-SUMWQHHRSA-N	308.397	3.015	10	20	DGCD	
O[C@]1(CCNCc2ccc3c(c2)CCCO3)C[C@H]2CC[C@H]1C2	922140956	WDHWCNJMHMYESG-UCLAIMLFSA-N	301.430	3.042	10	20	DGCD	
CC[C@H](NCc1c(O)nnc(C)c1C)c1ccc(N(C)C)cc1	1116459164	BUEGJUIQOPRTTG-KRWDZBQOSA-N	314.433	3.106	10	20	DGCD	
COc1ccc(O)c(CN(Cc2ccccn2)CC(C)C)c1	1119979993	AKLNBQPQCGRQET-UHFFFAOYSA-N	300.402	3.454	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CCC[C@H]2CCC[C@@H]21	1338750738	NXEJUKWYDZYWGJ-MNOVXSKESA-N	304.419	3.018	10	20	DGCD	
CC(C)O[C@@H]1C[C@@H](N[C@H](C)c2cc(C(=O)O)ccc2O)C1(C)C	1591695726	JNQOHXGHWZNAHJ-HFBAOOFYSA-N	321.417	3.333	10	20	DGCD	
CN1CCCc2cc(CNC3CCC(CC(=O)O)CC3)ccc21	1598603512	KDXZXFOINLZINS-UHFFFAOYSA-N	316.445	3.192	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](CC(=O)O)C2(C)C)cc1	1776855499	FQGYJRBOSQSHQM-HNNXBMFYSA-N	304.434	3.218	10	20	DGCD	
CCN1CCc2cc(CNC[C@@](C)(CC(C)C)C(=O)O)ccc21	1776877486	NEJYXRZHFVWQKF-LJQANCHMSA-N	318.461	3.296	10	20	DGCD	
CCCCNC(=O)CSc1ncc(-c2ccccc2)n1C	7129185	WGZSCEMWXYAZHW-UHFFFAOYSA-N	303.431	3.096	10	20	DGCD	
Cc1ccccc1C[C@H](C)NC(=O)CSc1nccs1	48876472	QVBAGUXONMMVRM-LBPRGKRZSA-N	306.456	3.291	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)c3cccc(C)c3)C2)cc1	62574868	TYQSWMFWOZEHAM-MRXNPFEDSA-N	324.424	3.260	10	20	DGCD	
CCOc1cc(NCCc2ccc(O)c(O)c2)ccc1[N+](=O)[O-]	92665978	HTNCZJJTRZLJGF-UHFFFAOYSA-N	318.329	3.059	10	20	DGCD	
Cc1cc(C(=O)NCCCO)c(C)n1-c1cccc(C(C)C)c1	97477907	IEPIXQFSKKGVNG-UHFFFAOYSA-N	314.429	3.330	10	20	DGCD	
CCc1cccc(NC(=O)NCc2cc(OC)ccc2O)c1	114565883	PAWPLLFVJDLWRG-UHFFFAOYSA-N	300.358	3.285	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)ccc1O	122886945	JDESMQXDUNWVCB-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
CN(C)C(=O)c1ccc(NCc2c(O)cccc2Cl)cc1	127261661	XEGGQUGDILCVIX-UHFFFAOYSA-N	304.777	3.360	10	20	DGCD	
CN(C)c1ccc(CNc2ncnc3c2CCCC3)cc1F	152327584	PKTYWLJTCWNJHW-UHFFFAOYSA-N	300.381	3.173	10	20	DGCD	
CC[C@H](CSC)NCc1cccc(Br)c1O	162160539	NXGMQAKCDFWVRV-SNVBAGLBSA-N	304.253	3.386	10	20	DGCD	
CCC1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCC1	177676504	WIXACPMOIXAFAJ-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCC2CC2)cc1	179070284	ZEYMBUQKNOIGQJ-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
Cc1cccc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O	179926360	VOWNGJABMUENQF-AWEZNQCLSA-N	320.433	3.047	10	20	DGCD	
COc1cc(O)c(CN[C@@H](C)c2cc(C)oc2C)cc1OC	181298398	HYHCVAAFXJTRBL-NSHDSACASA-N	305.374	3.470	10	20	DGCD	
CC1CCC2(CC1)OC[C@H](CN[C@@H](C)c1ccccc1O)O2	183671796	VNJJPCCTWGPJGR-DIODGJHASA-N	305.418	3.365	10	20	DGCD	
C[C@@H](CO[C@@H]1CCOC1)N[C@@H](C)c1cc2c(cc1O)CCCC2	185673635	CFHCFJITWLJPTD-GRDNDAEWSA-N	319.445	3.116	10	20	DGCD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	186200392	ZRNUNENGKJJBTP-RDTXWAMCSA-N	302.418	3.160	10	20	DGCD	
OCC[C@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	189932889	SHGIKIZEQRPOHV-RNCFNFMXSA-N	304.217	3.340	10	20	DGCD	
CC(C)Oc1cccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)c1	236768059	YKNDBHMFPBRBCS-CQSZACIVSA-N	312.413	3.476	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)ccn1	264004737	ICINANSGXAVLBJ-UHFFFAOYSA-N	304.777	3.493	10	20	DGCD	
COc1cccc(CNCCc2nc3c(C)cccc3o2)c1O	266333988	WNZXLDXXULYKNA-UHFFFAOYSA-N	312.369	3.183	10	20	DGCD	
COCC[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccco1	272510600	HPGJZCKORLSMBQ-HNNXBMFYSA-N	306.381	3.352	10	20	DGCD	
CCOc1cc(CN(C)Cc2ccccc2O)ccc1[N+](=O)[O-]	276952818	UNMJUPVSGHGMMP-UHFFFAOYSA-N	316.357	3.331	10	20	DGCD	
CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2ccc(F)c(F)c2O)C1	281074563	OMQJPUWXWOMCHC-MXWKQRLJSA-N	313.344	3.053	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1ncccc1F	282532946	QPNYZUXEIPVGGZ-UHFFFAOYSA-N	316.376	3.298	10	20	DGCD	
COC(=O)c1cnc(SCc2ncc(C)c(OC)c2C)s1	295391934	VFNVBEOEJLSNNT-UHFFFAOYSA-N	324.427	3.242	10	20	DGCD	
CCN(Cc1ccoc1C(=O)OC)c1ccc(OC)c(OC)c1	299285498	QAIDIEDUASTOFE-UHFFFAOYSA-N	319.357	3.110	10	20	DGCD	
CCOc1cccc(CNCC2(c3ccccn3)CCC2)c1O	368600177	AYDRLNBGAULLSU-UHFFFAOYSA-N	312.413	3.397	10	20	DGCD	
S=C(NNc1ccccc1)Nc1ccc2c(c1)OCCCO2	727268323	GSRQKSRATFXZGQ-UHFFFAOYSA-N	315.398	3.161	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C)(C)CC1	734687798	USTMNSKGTOZQFC-UHFFFAOYSA-N	303.450	3.393	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)[C@H](C)C(=O)OC(C)(C)C	738877045	NZEKHLGLVQWTJJ-CQSZACIVSA-N	306.450	3.305	10	20	DGCD	
CC[C@H](OC)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	743749718	JTLWOZIUVCDANZ-SFHVURJKSA-N	314.429	3.178	10	20	DGCD	
CN(C)c1ccc(CNCCCC(=O)OC(C)(C)C)cc1F	744449686	BOICRKUNNZPIAB-UHFFFAOYSA-N	310.413	3.103	10	20	DGCD	
CC[C@@H](C)OCC(=O)N(C)Cc1ccc(N(CC)CC)cc1	751569503	TVZFJOSHSWVZEK-OAHLLOKOSA-N	306.450	3.306	10	20	DGCD	
C[C@]1(C(=O)O)CCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	756385405	DMOIKIDJWUTQAC-HKUYNNGSSA-N	316.445	3.410	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@H](O)c2ccsc2)c2c(O)ccc(F)c21	756592051	IHKNTTLZWRIHSS-IUPBHXKESA-N	307.390	3.464	10	20	DGCD	
C[C@@H](NCCc1cccc(F)c1F)c1cc([N+](=O)[O-])ccc1O	756713013	UGWKOMHBTZIFKV-SNVBAGLBSA-N	322.311	3.472	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2cccc3c2oc(=O)n3C)c1	756855632	LSUSZPUAIVBVEB-JTQLQIEISA-N	314.341	3.019	10	20	DGCD	
CC(C)[C@H](C)N(C)C(=O)NCCCSc1nccs1	759590981	OHWWGTGHJNXPES-NSHDSACASA-N	301.481	3.311	10	20	DGCD	
CCCC1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CC1	759774975	RZGLFQJCGVNILN-UHFFFAOYSA-N	307.413	3.271	10	20	DGCD	
CC[C@@H](CC(F)(F)F)NCc1ccc(N2CCOCC2)cc1	760660897	QTASXIUIWWYOLZ-AWEZNQCLSA-N	316.367	3.344	10	20	DGCD	
COc1cc(Cl)cc(CN2CC(C)(C)OCC2(C)C)c1O	761202815	MVFMYECLLHMPSD-UHFFFAOYSA-N	313.825	3.444	10	20	DGCD	
CCCCC[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O	761573612	DBKLYLMLQGGSKI-CJNGLKHVSA-N	317.433	3.314	10	20	DGCD	
O=C(OCC(=O)C1CCC(F)(F)CC1)c1cc(O)cs1	763194306	JJZIWXLRWVKWTI-UHFFFAOYSA-N	304.314	3.005	10	20	DGCD	
C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc2c(cc1O)OCO2	780791975	DMDWHDPCIYZJJD-MWLCHTKSSA-N	317.307	3.284	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H]2CCCC(C)(C)C2)c1O	785906784	NLVOHYAORYANOJ-ZDUSSCGKSA-N	306.406	3.169	10	20	DGCD	
Cc1cccc(CN2CCC[C@H](Oc3ncccc3F)C2)c1O	787288725	BKIMKDJDMBQHLI-HNNXBMFYSA-N	316.376	3.278	10	20	DGCD	
Cc1ccc(-n2cc(NC(=O)c3cccc(O)c3O)cn2)c(C)c1	787406391	JZXWQZDMSSLVNY-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
CN(Cc1c(O)ccc(Cl)c1F)CC1(N(C)C)CCC1	792179096	GWISQQWBHBYFKQ-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
COc1cc(N2CCC3(CCC3)CC2)c([N+](=O)[O-])cc1OC	804818821	KALFDOGNRNPXGH-UHFFFAOYSA-N	306.362	3.383	10	20	DGCD	
CC[C@H]1CC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	806133191	IVNMGARXLRTJGY-WMLDXEAASA-N	306.425	3.065	10	20	DGCD	
C[C@H](NC[C@@H]1COc2ccccc21)c1cc(F)cc(F)c1O	808727583	JJLNVZNBXKPGBU-WDEREUQCSA-N	305.324	3.497	10	20	DGCD	
OCC[C@@H](NCc1cc(Cl)c(F)cc1O)c1cccs1	816552497	NZTXHBPZQBNBJU-GFCCVEGCSA-N	315.797	3.460	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCc3ccc(F)cc32)cc1	817938853	UOKSLRNVTCGJMM-MOPGFXCFSA-N	313.420	3.169	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](C)c2cccc(C(F)(F)F)c2O)CCN1	817970892	GVZLGZJOHYTVPK-GMTAPVOTSA-N	302.340	3.202	10	20	DGCD	
CC(C)(C)N1CC[C@@H](NCc2cc(Cl)cc(F)c2O)C1	826867948	NOYKSSCZRVPQAZ-GFCCVEGCSA-N	300.805	3.147	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)N[C@H]1CCc2cccc(O)c21	834845001	XLBRABQVVSWGOR-RYUDHWBXSA-N	303.324	3.327	10	20	DGCD	
COCC[C@H](C)CNCc1cc(Br)cc(C)c1O	840955523	SFVDGRIVGPTCIS-JTQLQIEISA-N	316.239	3.225	10	20	DGCD	
Nc1ccc(CCNCc2cc(Cl)cc3c2OCC3)cc1	841036980	XSCQAQIMYSCPKA-UHFFFAOYSA-N	302.805	3.189	10	20	DGCD	
Oc1ccc(Cl)cc1CNc1ccc2c(c1)CNCCO2	841076187	BOWYOFCHEDZUGM-UHFFFAOYSA-N	304.777	3.140	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)c(O)c1C	842884862	LJJHITDTZFEOLZ-DZGCQCFKSA-N	304.434	3.059	10	20	DGCD	
NCCC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	844912030	QSNAFNHSAQOITC-UHFFFAOYSA-N	301.478	3.238	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)C[C@@H](O)c2ccco2)c1O	846151402	XTDRSYGKEYJPLL-MBNYWOFBSA-N	305.374	3.157	10	20	DGCD	
CCc1cccc(CN(C)Cc2nc3ccccc3n2C)c1O	848884246	JAXWSEJZBBDTSJ-UHFFFAOYSA-N	309.413	3.473	10	20	DGCD	
COc1cc(CNC[C@]2(C)CCCO2)c(O)c(C(C)(C)C)c1	850182521	IFYPBYNYBDSDGV-SFHVURJKSA-N	307.434	3.357	10	20	DGCD	
CCOc1cncc(CNCc2ccc3c(c2)CCCN3C)c1	856767847	FHQGJHKFSJSIQI-UHFFFAOYSA-N	311.429	3.153	10	20	DGCD	
C[C@H]1C[C@H](NCc2c(O)cccc2Br)c2nccn21	858172486	WGBROZUXFMPELF-CABZTGNLSA-N	322.206	3.147	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNc3nccn(C)c3=O)c2C)c1	858800105	AZDPJLKPLYAHAG-UHFFFAOYSA-N	322.412	3.108	10	20	DGCD	
CCSc1ccc(C(=O)NCc2cc(C)ccc2O)cn1	862760875	WTOTXKQWCIOTQP-UHFFFAOYSA-N	302.399	3.138	10	20	DGCD	
Cc1cc(CN2C(=O)NC3(CCC3)C2=O)c(C)n1-c1ccccc1	863533048	UMXXHOPZWRKEAI-UHFFFAOYSA-N	323.396	3.069	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1	873265955	YGLOYONHFORDCN-XYVMCAHJSA-N	301.478	3.324	10	20	DGCD	
Cc1ccc(CN(C)Cc2c(C)nc3sccn23)c(O)c1	876683203	SVQPDHOGCQBYEH-UHFFFAOYSA-N	301.415	3.350	10	20	DGCD	
Cc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)c(O)c1	876888671	UUYLFLOCJVUZHS-INIZCTEOSA-N	300.402	3.220	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)NCC3CC=CC3)cs2)cc1	877000355	NJIQHYOQWBSVCA-UHFFFAOYSA-N	313.426	3.012	10	20	DGCD	
CCc1cccc(CN2CC[C@H](OCc3ccccn3)C2)c1O	877645136	BMJYBGZFCOGVNI-SFHVURJKSA-N	312.413	3.141	10	20	DGCD	
COC1CCN(C(C)(C)CN[C@@H](C)c2c(O)cccc2F)CC1	886524824	RRTUDXZELARYOO-ZDUSSCGKSA-N	324.440	3.071	10	20	DGCD	
COc1ccc(CN(C)Cc2ccccc2F)c(O)c1OC	891476217	NKZNPTJTSUJICY-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
C[C@@](O)(CNCc1ccc2c(c1)CCCO2)c1cccc(F)c1	922561455	AIYPPQUSDLHVSA-LJQANCHMSA-N	315.388	3.148	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@@H]2OCCC[C@H]2C1	1116443586	BPCWNSHOLWYHJX-HKUYNNGSSA-N	300.446	3.288	10	20	DGCD	
COc1ccc(CNCCNC(=O)CCCC(C)C)cc1C	1134199051	QIWIMYJPGYIZQJ-UHFFFAOYSA-N	306.450	3.036	10	20	DGCD	
C[C@@H]1CN(c2nnc(-c3sccc3O)n2C)[C@@H]2CCCC[C@H]12	1339458682	RTTCCOUBFYMROZ-IJLUTSLNSA-N	318.446	3.264	10	20	DGCD	
Cc1cc(CCNC2CC(C(=O)O)C2)c(C)n1-c1ccccc1	1600188725	UABLEXRUPYAZNT-UHFFFAOYSA-N	312.413	3.089	10	20	DGCD	
COc1cccc(O)c1CNc1cccc([C@@H](C)C(=O)O)c1	1607326671	QZGSGQOXDHTCFV-LLVKDONJSA-N	301.342	3.201	10	20	DGCD	
CCC[C@@](C)(NCc1ccc2c(c1)CCCN2CC)C(=O)O	1776750919	QCQYBEBDYSOJHL-GOSISDBHSA-N	304.434	3.192	10	20	DGCD	
CCN(CC)c1ccc(CN[C@](C)(C(=O)O)C2CC2)cc1F	1776860706	BMBBVPMRNIIKCM-KRWDZBQOSA-N	308.397	3.015	10	20	DGCD	
COCCC[C@H](C)NC1CCN(c2ccc(OC)cc2)CC1	178463951	SCPYOAZWYOTEFH-HNNXBMFYSA-N	306.450	3.069	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC2CCOCC2)cc1F	117256471	WWKJPQQWCKMQOR-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@H]1C	175842296	JOSFSOIDAKIMDN-JOYOIKCWSA-N	312.207	3.159	10	20	DGCD	
O=C(O)[C@H]1CC12CCN(Cc1c(O)ccc3ccccc13)CC2	405369243	NQQLDIAKYIPQHR-MRXNPFEDSA-N	311.381	3.232	10	20	DGCD	
CCN(CCc1ccccc1)Cc1cc(OC)c(OC)cc1O	179439134	ROJWDYDOWFTPJY-UHFFFAOYSA-N	315.413	3.474	10	20	DGCD	
C[C@H](NCc1nnc2n1CCCC2)c1ccc2ccccc2c1O	183845609	FFFQKBUUTBGKCN-ZDUSSCGKSA-N	322.412	3.324	10	20	DGCD	
O=C(C[C@@H]1C=CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	71808911	ZJQOTHYXSXNVJW-NVXWUHKLSA-N	315.413	3.256	10	20	DGCD	
CC1(NCc2ccccc2O)CCN(C(=O)OC(C)(C)C)CC1	189999424	IEWLMGLTPDEOCL-UHFFFAOYSA-N	320.433	3.271	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C2CC2)[C@@H](C)C2CC2)cc1F	121732846	OYEWZJMFWMFVRZ-LBPRGKRZSA-N	320.408	3.060	10	20	DGCD	
O=C(NCCCSc1nccs1)c1cc2ccccn2c1	74676033	RIUCAVLGJDXNEW-UHFFFAOYSA-N	317.439	3.308	10	20	DGCD	
CCOc1cccc(CNC[C@@](C)(O)C2CCCCC2)c1O	191673612	RAPWUZRPFFQGJT-GOSISDBHSA-N	307.434	3.212	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C)CC2)c1O	190967369	UZILXRLATBJVHT-TZMCWYRMSA-N	306.406	3.169	10	20	DGCD	
C[C@H]1CCCC[C@H]1CNCc1ccc(N2CCOCC2)cc1	237555185	GHTUMSXTVDSBBQ-WMZOPIPTSA-N	302.462	3.439	10	20	DGCD	
Nc1ccc(CC(=O)NCCOc2cccc3ccccc23)cc1	237901006	IDKCSOJLSRRGHL-UHFFFAOYSA-N	320.392	3.160	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](N3CCCC3)CC2)cc1	93563586	OVXSOFGSFCSXOO-IBGZPJMESA-N	301.478	3.203	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)c1	245835865	WAGXHPRILDPDDM-RFGFWPKPSA-N	318.417	3.197	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)/C=C/c2ccc[nH]2)C2CC2)cc1	275646011	BGBHCBHOUHOBNW-KPKJPENVSA-N	309.413	3.285	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2cccc([N+](=O)[O-])c2)c1	273516694	SPANMGQDCXYVSB-LBPRGKRZSA-N	316.357	3.202	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1O)c1ncn(C)n1	275694691	JTIBDUZDLZTGGK-SFYZADRCSA-N	315.204	3.239	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NC[C@H](C)N(C)C)c1O	275387160	YJDYPGVQLWNVIF-WDEREUQCSA-N	315.255	3.064	10	20	DGCD	
C[C@@H](NCCc1ccncc1)c1cc(Br)ccc1O	273364226	AZTMYZBHISKHMS-LLVKDONJSA-N	321.218	3.443	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CCN(C)C	283686880	IHEWQVMHMLNLBO-OAHLLOKOSA-N	321.465	3.044	10	20	DGCD	
CN(C)[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1	373005016	CDNOZZGPNQOBLV-NSHDSACASA-N	300.805	3.101	10	20	DGCD	
CC[C@@H](Sc1ncc(C(=O)OC)s1)C(=O)OC(C)(C)C	295368468	SCRTVHHJTVVAPM-MRVPVSSYSA-N	317.432	3.142	10	20	DGCD	
C[C@@H]1C[C@H](N2CCCC2)CN1Cc1cc(Cl)cc(F)c1O	809703953	SEIPMMOIBRPFRA-RISCZKNCSA-N	312.816	3.243	10	20	DGCD	
COc1ccc([C@@H](C)NC(=O)c2cc(O)cs2)c(C)c1OC	807859189	ZJLZGNJYRJOOTN-SNVBAGLBSA-N	321.398	3.270	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cnn(CC)c1	800802405	LEIHPKHDJAVKHR-UHFFFAOYSA-N	316.405	3.443	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CSC1CC1	294538376	RIGFVKWFYVYYKQ-UHFFFAOYSA-N	306.475	3.385	10	20	DGCD	
COCCOCCCCN[C@H](C)c1cc(Cl)cc(C)c1O	808687549	NCVAEIMAJPCDEZ-CYBMUJFWSA-N	315.841	3.448	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(CCN)cc2)c2c(O)ccc(F)c21	817950252	XDFSHVSVVMAAMJ-MLGOLLRUSA-N	314.404	3.371	10	20	DGCD	
Cc1cc(CN2CCN(C3CCCC3)CC2)ccc1N(C)C	815015029	FPQJDQZGGXDOPR-UHFFFAOYSA-N	301.478	3.121	10	20	DGCD	
COc1cc(Cl)cc(CN2CCSC[C@H]2C2CC2)c1O	824913764	FCNKRDOBNNGEDU-ZDUSSCGKSA-N	313.850	3.382	10	20	DGCD	
Cc1ncc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cn1	728478507	CFZZYRVFFOCMAU-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
Cc1cc(O)c(CNCCN2Cc3ccccc3C2)cc1Cl	825090168	OWZIWEDPXKLZIY-UHFFFAOYSA-N	316.832	3.459	10	20	DGCD	
CC[C@H]1CN(C(=O)/C=C(/C)c2cnccn2)c2ccccc2O1	826559234	IJFUMAPCYRDXRK-ZVHGMHCTSA-N	309.369	3.084	10	20	DGCD	
CCCCC[C@@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1	822819680	XZFQSULCCXOCSB-GOSISDBHSA-N	318.461	3.234	10	20	DGCD	
Cc1cc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1	736600171	SEZVQOOPAOBMBB-QLEMLULZSA-N	323.502	3.339	10	20	DGCD	
CC[C@@H]1OCC[C@H]1NCc1ccc(N(C)C)cc1C(F)(F)F	839190945	DBQMYSXACREEFP-CABCVRRESA-N	316.367	3.429	10	20	DGCD	
COC(=O)c1cc(CN(C)Cc2ccc(N(C)C)cc2)cs1	839463689	ZVTFJOUKKHZXSI-UHFFFAOYSA-N	318.442	3.233	10	20	DGCD	
Cc1nc(-c2ccccn2)nc(NCc2ccccc2O)c1C	731662758	SRHJMKDGRSZUET-UHFFFAOYSA-N	306.369	3.473	10	20	DGCD	
C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cc2c(cc1O)OCO2	734477169	LWCCUDCUOUJOFF-UKRRQHHQSA-N	311.381	3.499	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C2CCCCCCC2)cc1	832272581	HGDOCILCKYJIJK-SFHVURJKSA-N	317.477	3.229	10	20	DGCD	
Cc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1C(=O)O	738438533	XUUNPXMDGICMFO-UHFFFAOYSA-N	314.341	3.063	10	20	DGCD	
COCC(COC)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	834893788	XMLXTBHWYDZWTG-AWEZNQCLSA-N	324.440	3.128	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)C[C@H](O)c1ccco1	840937662	VSTACABXLUCFPK-PBHICJAKSA-N	302.418	3.256	10	20	DGCD	
CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1ccccn1	846473547	MUQBQJYTYHNWGZ-UHFFFAOYSA-N	304.777	3.035	10	20	DGCD	
CN(CC1CC1)C(=O)CN(C)c1ccc(-c2nccs2)cc1	846991131	DIAVRERRAZEIRG-UHFFFAOYSA-N	315.442	3.115	10	20	DGCD	
CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1	840889846	IUXAXALYSRXJPA-HOTGVXAUSA-N	317.477	3.241	10	20	DGCD	
CC(C)N1CCC[C@@H](CNCc2ccc3c(c2)CCCO3)C1	921688739	DICHBQVDQZKRBJ-KRWDZBQOSA-N	302.462	3.222	10	20	DGCD	
CC[C@@]1(C)CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	758781503	XGHDKUYAYPOVGQ-SFHVURJKSA-N	303.450	3.393	10	20	DGCD	
CN(c1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1	850751274	ZDSOWBJESZBUDZ-KRWDZBQOSA-N	310.401	3.011	10	20	DGCD	
COc1cc(CNC[C@@H]2CCC=CO2)c(O)c(C(C)(C)C)c1	850265679	IMVNFAUAWRWQFL-AWEZNQCLSA-N	305.418	3.481	10	20	DGCD	
C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(O)c1	929527163	FRJSLGJOWLHENK-AWEZNQCLSA-N	312.413	3.220	10	20	DGCD	
COc1ccc2c(c1)CCCN2C[C@H](O)CCc1ccccc1	754008973	JJQIXAJEKDUZHE-GOSISDBHSA-N	311.425	3.442	10	20	DGCD	
CC(C)N(CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(C)C	756370383	GCKLDWHRXKIYRS-ZDUSSCGKSA-N	309.410	3.070	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@H]2C)cc1	752004359	GGCJCDVSXGISNH-LSDHHAIUSA-N	303.450	3.473	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@@]2(C)CC2(Cl)Cl)c1	862754789	KJQFHINWFODACM-ZDUSSCGKSA-N	302.201	3.291	10	20	DGCD	
CCN(CC)CCN(Cc1cccc(OC)c1O)CC(C)C	768741746	KHUCYYMPWISLOA-UHFFFAOYSA-N	308.466	3.201	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]2C[C@H](C)O)cc1F	769450173	BNBMONLTGRYSIF-GOEBONIOSA-N	308.441	3.407	10	20	DGCD	
COc1cc(OC)c2c(c1)N(C(=O)/C=C\c1cccnc1)CCC2	862775641	MFHHMVAXVUTBLS-FPLPWBNLSA-N	324.380	3.091	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)cccc2OC)c1	761541837	OIWIIZVMZUKYMC-SNVBAGLBSA-N	319.332	3.040	10	20	DGCD	
C[C@H]1Cc2ccccc2N(Cc2cc3c(cc2O)OC[C@H]3O)C1	768463284	QZQPLHXKPVMWBL-KPZWWZAWSA-N	311.381	3.017	10	20	DGCD	
CCOc1cccc(CCc2nc(Cc3ccc(N)cc3)no2)c1	863656417	PYBWOZYXWVPASF-UHFFFAOYSA-N	323.396	3.427	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC(C(C)(C)O)CC2)cc1F	877751888	JXVZEBUGVXTAEZ-UHFFFAOYSA-N	312.404	3.014	10	20	DGCD	
Cc1ccc(CNC[C@@H]2CCN(c3ccc(F)cc3)C2)c(O)c1	876970209	LGSLIDHCEVIJBQ-HNNXBMFYSA-N	314.404	3.456	10	20	DGCD	
Cc1ccc(CNCCc2nc3c(F)cccc3n2C)c(O)c1	877150696	ZOJSRDZJKFORLE-UHFFFAOYSA-N	313.376	3.059	10	20	DGCD	
CCOCc1cc(CNC[C@@H]2CCC[C@@H]2OC)ccc1OC	774831745	YGQRTXAENZWZCU-RDJZCZTQSA-N	307.434	3.136	10	20	DGCD	
CCOc1ccc(CN[C@H](CCOC)Cc2ccco2)c(O)c1	784626295	YNYSRIBOJVSOOP-OAHLLOKOSA-N	319.401	3.121	10	20	DGCD	
C[C@H]1CCCN(CCCCNCc2cc(F)cc(F)c2O)C1	882892050	LOMGWNCDFOTICL-ZDUSSCGKSA-N	312.404	3.272	10	20	DGCD	
COCCOc1cccc(NCc2cc(F)cc(F)c2O)c1	882908280	LHHWQULAMGFQDO-UHFFFAOYSA-N	309.312	3.308	10	20	DGCD	
CC[C@@H](N[C@@H](CO)Cc1ccccc1C)c1ccc(F)cc1O	796959208	LVPHIPBKPZRZGX-SJLPKXTDSA-N	317.404	3.484	10	20	DGCD	
CCc1ccc([C@@H](O)CNCc2cc(Cl)ccc2O)cc1	796452880	ZYHSMLPDVBGREA-KRWDZBQOSA-N	305.805	3.431	10	20	DGCD	
CCc1ccnc(CNC(=S)Nc2ccc(F)cc2F)c1	797792827	IPKAUEVIBZZJIE-UHFFFAOYSA-N	307.369	3.409	10	20	DGCD	
CC[C@H](CC(=O)NCCNCc1ccc(OC)c(C)c1)C(C)C	1148353720	XDKRGJQLXDXCMC-QGZVFWFLSA-N	320.477	3.282	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)n1CC1CC1	1318257753	LYWRJKAHRDBVFH-UHFFFAOYSA-N	312.413	3.493	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1	1320167854	ZVJMEBNGVZMZHQ-UHFFFAOYSA-N	312.369	3.476	10	20	DGCD	
OC[C@H](NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1	1347781125	BIIQBLGJGHSOCL-IBGZPJMESA-N	314.404	3.249	10	20	DGCD	
COc1ccc(N[C@H](C)c2cc(C(=O)O)ccc2O)cc1F	1607275827	NOXVKXFQKDRYBO-SECBINFHSA-N	305.305	3.411	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C(=O)O)C1CC1	1607765990	MITSDXLLIGMRIF-CYBMUJFWSA-N	319.382	3.176	10	20	DGCD	
CN(C)c1ccc(OC[C@@H]2CC2(Cl)Cl)cc1C(=O)O	1598328333	HNUILZSYIJEOTK-QMMMGPOBSA-N	304.173	3.023	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(CC3CC3)C2)cc1	157651099	OCNZLAROFHONSN-MAUKXSAKSA-N	301.478	3.278	10	20	DGCD	
Cc1cccc(CNC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1O	715102798	GKTWXCNHAVRGEB-CTYIDZIISA-N	320.433	3.094	10	20	DGCD	
CC(C)(C)OC(=O)NCCC1CC(NCc2ccccc2O)C1	845930882	XJFYRLFIVYEURG-UHFFFAOYSA-N	320.433	3.175	10	20	DGCD	
CN1/C(=C\C=C2\SC(=S)NC2=O)C(C)(C)c2ccccc21	102117631	GRXBURXHFVDQEI-UQXQTEIVSA-N	316.451	3.330	10	20	DGCD	
C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(N2CCCC2)cc1	178196498	SWHMMVNUPHVHHQ-MAUKXSAKSA-N	316.445	3.361	10	20	DGCD	
C[C@@H](NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccccc1O	183633832	JJXAZJNFMUQFJJ-IUODEOHRSA-N	320.433	3.346	10	20	DGCD	
COc1ccc(O)c(CNCc2cc3cc(OC)ccc3o2)c1	125532683	GWLNNIFXQUEMTN-UHFFFAOYSA-N	313.353	3.445	10	20	DGCD	
Cc1cc(C)n(-c2ccccc2NC(=O)c2cccc(O)c2O)n1	188161767	OYMFYYLSZBIWFE-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
CN(C)c1ccc(CNc2nnc(C(F)(F)F)s2)cc1F	121590570	CYFLKWIPULDJQU-UHFFFAOYSA-N	320.315	3.374	10	20	DGCD	
C[C@@H](N[C@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1O	317536499	KXOWZZOBFOXUKX-MLGOLLRUSA-N	305.397	3.493	10	20	DGCD	
COc1ccccc1CN(CCO)Cc1c(O)cccc1Cl	130466221	WFJVINBITQUZAL-UHFFFAOYSA-N	321.804	3.049	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c1	248651147	UVPMVIQJSLLUAB-OUCADQQQSA-N	306.406	3.025	10	20	DGCD	
CS[C@@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C	349805548	WIUYDWKMHSEXRZ-NSHDSACASA-N	305.447	3.037	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCSC1)c1ccc(N2CCCCC2)cc1	268974878	NISCIBOVVUIAFP-CRAIPNDOSA-N	320.502	3.196	10	20	DGCD	
Oc1ccccc1CNCc1c(F)cccc1N1CCCC1	264542524	RPCIPANPCNTEIB-UHFFFAOYSA-N	300.377	3.421	10	20	DGCD	
C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2	272632812	KNEKSQHJQMCNHP-DIECRNLCSA-N	301.386	3.150	10	20	DGCD	
C[C@@H](CCN(C)C)N[C@@H](C)c1cc(Br)ccc1O	273466074	DSVSUGPATZEJIS-QWRGUYRKSA-N	315.255	3.146	10	20	DGCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1CCCC1	277323608	MFKVNRCXNMGPDR-UHFFFAOYSA-N	322.792	3.000	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	286869527	YRSKWIKSGHZKMT-HRCADAONSA-N	317.429	3.363	10	20	DGCD	
CC[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O	806148082	QHHDYKFCJBWNPC-SMDDNHRTSA-N	324.852	3.486	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3CC3(F)F)cc2)CC1	294579250	KPYQRSWVQVFYDD-HNNXBMFYSA-N	308.372	3.194	10	20	DGCD	
CN(C)CCCCCCCNC(=O)N(C)Cc1ccccc1O	299251531	CEANNGJIGZUQKT-UHFFFAOYSA-N	321.465	3.046	10	20	DGCD	
CC[C@H](C)NC(=S)NCc1cc(Cl)cc(Cl)c1O	806598317	HTKRBLSDOOOEGV-ZETCQYMHSA-N	307.246	3.462	10	20	DGCD	
CCC(CC)(CNCc1cc(Cl)cc(OC)c1O)C(=O)O	818630019	XWGDBLPGXIMXMM-UHFFFAOYSA-N	315.797	3.035	10	20	DGCD	
Cc1cc(C(=O)O[C@H](C)C[N+](=O)[O-])c(C)n1-c1ccc(F)cc1	814046183	HCZPTRLDHZTZOF-LLVKDONJSA-N	320.320	3.055	10	20	DGCD	
OC[C@@H](NCc1cc(Cl)c(F)cc1O)C1CCCCC1	816554275	UAAQGMINRCWFOW-CQSZACIVSA-N	301.789	3.216	10	20	DGCD	
CN(Cc1ccccc1O)C1(CNC(=O)OC(C)(C)C)CCC1	824932392	OBWHYMVNWZOAFF-UHFFFAOYSA-N	320.433	3.271	10	20	DGCD	
O=C(NCCCc1ccc(Cl)cc1)NCc1ccccc1O	726250937	MCELJAHHIZKTJQ-UHFFFAOYSA-N	318.804	3.478	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2c3ccccc3C[C@H]2C)cc1	739922922	RCBJTRNVOVNZEQ-OAHLLOKOSA-N	324.424	3.499	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=S)NC(C1CC1)C1CC1	734755125	IUIFKIAVXVKLJY-UHFFFAOYSA-N	317.502	3.248	10	20	DGCD	
COc1cc(C)c([C@H](C)NC(=O)c2cc(O)cs2)cc1OC	732269614	GKRMNNAKBFYUIN-JTQLQIEISA-N	321.398	3.270	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1	739926605	IJSMXBSOGKRPSI-WMLDXEAASA-N	304.434	3.216	10	20	DGCD	
COc1ccc(N2CCCN([C@@H](C)c3ccncc3)CC2)cc1	732198624	ZOKUVYYULUFHCX-INIZCTEOSA-N	311.429	3.364	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CCC(=O)O)c2ccccc2)cc1	841804856	HITSHURZMAYZSM-GOSISDBHSA-N	312.413	3.448	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)c(O)c1	841590475	OTJUAUJXYRMVAW-GJZGRUSLSA-N	320.433	3.415	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2cccc(OC)c2O)C12CCC2	846144515	HJCTZLPABQCNCA-UHOFOFEASA-N	305.418	3.399	10	20	DGCD	
COc1ccc(N(C)CCN(C)C[C@H]2CC2(Cl)Cl)cc1	844399144	HMEUNBZWOQNAPJ-GFCCVEGCSA-N	317.260	3.257	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC(c2ccncn2)CC1	840953497	RWGCUIXQFSRPKC-UHFFFAOYSA-N	310.445	3.231	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)[C@@H]1C	841580834	LRUYVVRLWKMQER-OAGGEKHMSA-N	313.445	3.249	10	20	DGCD	
CON(C)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	747574045	LJXORRCQVSCTHX-UHFFFAOYSA-N	306.793	3.310	10	20	DGCD	
C[C@H](NC(=O)C=C1CCCC1)c1ccc(N2CCOCC2)cc1	920881555	FKRFETKDPXFWFX-HNNXBMFYSA-N	314.429	3.201	10	20	DGCD	
CCC[C@H](O)CCN[C@H](C)c1cc(Br)ccc1O	927016143	HRZNSJQUULFBKP-PWSUYJOCSA-N	316.239	3.356	10	20	DGCD	
C[C@H](NCCO[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1O	927079546	FXMKIFOYCWZAFT-VHSXEESVSA-N	320.216	3.155	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCC(C2CC2)C2CC2)c1	756614799	ATNZIRIFPLGUNR-NSHDSACASA-N	303.402	3.266	10	20	DGCD	
COc1cccc([C@H](CNCc2ccc(N(C)C)cc2)OC)c1	858204488	MYKLZUPZPHSYFI-IBGZPJMESA-N	314.429	3.239	10	20	DGCD	
CSC[C@@H]1CCCN1Cc1c(O)cccc1Br	862251065	ZSQWAUMPYJDLAQ-JTQLQIEISA-N	316.264	3.482	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Cc2ccccc2OC(C)C)c1	862758683	HCSXVYOBQAPLPE-UHFFFAOYSA-N	313.397	3.347	10	20	DGCD	
CC(=O)c1cccc(C(=O)NCCCSc2nccs2)c1	765526189	NPWTZLJIMWRRLN-UHFFFAOYSA-N	320.439	3.258	10	20	DGCD	
CCOc1ccc(CN(C)[C@H]2CCCc3c2cnn3C)c(O)c1	769537640	NQBAWICBCQPFKQ-INIZCTEOSA-N	315.417	3.034	10	20	DGCD	
CN(C)c1ccc(CN(CCO[C@@H]2CCCCO2)C2CC2)cc1	769708143	KYONIWGXXSGWQI-LJQANCHMSA-N	318.461	3.260	10	20	DGCD	
C[C@@H](NCCC(=O)NCC1CCCCC1)c1ccccc1O	879648384	MGBZXVVMSONLHT-CQSZACIVSA-N	304.434	3.129	10	20	DGCD	
CN(C)CCC1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775663087	KBMHSYAXTJRFHE-UHFFFAOYSA-N	314.832	3.348	10	20	DGCD	
C[C@H](NS(=O)(=O)CCC(C)(C)C)c1ccc(N(C)C)cc1	773089141	SBSWLIHXIUVIHT-ZDUSSCGKSA-N	312.479	3.169	10	20	DGCD	
COc1ccc(N(CC(=O)Nc2ccccn2)C(C)C)cc1F	878231529	DNJUTLAWJBWOPS-UHFFFAOYSA-N	317.364	3.083	10	20	DGCD	
CC[C@@](NCc1cc(F)ccc1O)(C(=O)OC)c1ccccc1	877676582	YRCBZWZTGBSTGI-SFHVURJKSA-N	317.360	3.099	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776931490	SBWDLUCQONCPCO-ZWLSGLHFSA-N	315.442	3.408	10	20	DGCD	
Cc1ccccc1C1(CNC(=O)NCc2ccc(N)cc2)CC1	1120500522	OPGMGIFCRYRMMA-UHFFFAOYSA-N	309.413	3.108	10	20	DGCD	
COc1cccc(OC)c1CN[C@H](C)c1c(O)cccc1F	886636150	GSPQTJHVBQPGPP-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
COc1cccc(CNC(C)(C)[C@@H](O)c2ccccc2)c1O	895659152	UBRYSRHFDOKVJI-KRWDZBQOSA-N	301.386	3.003	10	20	DGCD	
COc1ccc(CN(C)Cc2c(F)cccc2F)c(O)c1OC	894631574	HQUVJSOIXOVJHB-UHFFFAOYSA-N	323.339	3.320	10	20	DGCD	
COc1cc(C)cc(CN2CCOC[C@@H]2c2ccc(C)o2)c1O	894033014	WKCYLXXQFHAASK-OAHLLOKOSA-N	317.385	3.184	10	20	DGCD	
COCCN(Cc1cc(OC)c(C)cc1O)[C@H]1CC[C@@H](C)C1	790477704	HOOLZWRWPUVPHM-CJNGLKHVSA-N	307.434	3.346	10	20	DGCD	
C[C@@H](NCc1ccc(C[S@@](C)=O)cc1)c1cc(F)ccc1O	797130985	CWRFVIHNFDSKAG-VERVWZFWSA-N	321.417	3.261	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H](C)c2ccccc2)c(O)c1	792794735	LQBMZMXZOWXUEA-CYBMUJFWSA-N	314.385	3.004	10	20	DGCD	
COC(=O)CC1(CN(Cc2ccc(N(C)C)cc2)C(C)C)CC1	799296222	IEBYHUFKAUCWJT-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CN[C@H]1CCSC1	708190704	MZCWIDLJYHOXCY-VIFPVBQESA-N	322.655	3.403	10	20	DGCD	
CO[C@@H](CNCc1cc(Br)cc(F)c1O)C(C)C	715799195	ZLEPBVYZOYIMMD-LBPRGKRZSA-N	320.202	3.054	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@H]2CCCC[C@H]2C1	1339368400	XXWYBJJRBVFOOU-TXEJJXNPSA-N	318.446	3.359	10	20	DGCD	
C[C@]1(CCNC(=O)NCc2ccc(N)cc2)CC1(Cl)Cl	1346649815	VAVLTALPIAABQB-ZDUSSCGKSA-N	316.232	3.042	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1[C@@H](C)C1(F)F	1348738348	QORDVRQGXYRMMA-JMSVASOKSA-N	310.388	3.009	10	20	DGCD	
COc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(N)cc2)cc1	1261371823	ARGYDHMZGGZTQS-CYBMUJFWSA-N	313.401	3.372	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C(=O)O)c2ccccc2F)cc1Cl	1607698719	DUEDDUSNKSZFGX-HNNXBMFYSA-N	323.751	3.409	10	20	DGCD	
Cc1cc(-c2nnc(CCC(=O)O)o2)c(C)n1-c1ccccc1	1594268364	UOWMYFLMFNBYNX-UHFFFAOYSA-N	311.341	3.161	10	20	DGCD	
CO[C@H](CSc1ncc(C(=O)O)s1)Cc1ccccc1	1599060351	UGFMVLJFCIKGNT-NSHDSACASA-N	309.412	3.191	10	20	DGCD	
CCN(CC)c1ccc(CNCC23CC(C(=O)O)(C2)C3)cc1F	1776860968	RACQCKKEFGRZFF-UHFFFAOYSA-N	320.408	3.016	10	20	DGCD	
CN(Cc1ccccc1O)CC1CCN(C(=O)C(C)(C)C)CC1	160540445	BBRUIHGTADVWPQ-UHFFFAOYSA-N	318.461	3.109	10	20	DGCD	
CC[C@@H](NCCOCCF)c1cc(Br)ccc1O	705781129	PPUUVBUPWLJONJ-GFCCVEGCSA-N	320.202	3.182	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@H]1C	105312006	NCGDORPOSKARNB-RHSMWYFYSA-N	303.450	3.473	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)CCO)c(C)n1-c1ccc(Cl)cc1	121351293	DWRSCERWOTYPPQ-LLVKDONJSA-N	320.820	3.248	10	20	DGCD	
COc1ncc(Cl)c(NCc2ccc(N3CCCC3)cc2)n1	178416224	MMQQBRKNHPXDRC-UHFFFAOYSA-N	318.808	3.351	10	20	DGCD	
Cc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(F)c(F)c1O	187716628	WJDQYGZUEIBVEQ-NHYWBVRUSA-N	307.340	3.363	10	20	DGCD	
C[C@H]1CN(Cc2cc(F)ccc2O)[C@@H](c2ccccc2)CO1	246048071	XSUDRRDKMNUFOU-SUMWQHHRSA-N	301.361	3.493	10	20	DGCD	
CO[C@H](C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	272778082	XNNCRURZDBTPOL-CQSZACIVSA-N	304.434	3.059	10	20	DGCD	
CCO[C@@H](CCN(C)C)CN[C@@H](C)c1ccc(C)c(C)c1O	273566835	JTAWMMFLZAPNSS-HOTGVXAUSA-N	308.466	3.016	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(OC3COC3)cc2)cc1F	275853094	RZJNYJXGXGDJDK-UHFFFAOYSA-N	316.376	3.281	10	20	DGCD	
C[C@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1O	276979725	VQEPXGAVOQTMHA-YOEHRIQHSA-N	316.445	3.367	10	20	DGCD	
CC(C)(C)OC(=O)NCc1cccc(Br)c1O	277548457	YBYXENGTNVUWOI-UHFFFAOYSA-N	302.168	3.179	10	20	DGCD	
CC[C@H](N[C@H](C)CC[S@@](C)=O)c1cccc(Cl)c1O	287667132	LZPSPIFARNIJHB-KPGGICDASA-N	303.855	3.243	10	20	DGCD	
CC(C)c1scnc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	291799968	ZEDJFTDGKXJKFH-JTQLQIEISA-N	320.414	3.039	10	20	DGCD	
CCOc1cccc(CNC[C@H](CO)C2CCCCC2)c1O	293231998	ZHGARORQPMBADR-MRXNPFEDSA-N	307.434	3.069	10	20	DGCD	
Oc1cccc2c1[C@H](Nc1ccn(CCc3ccncc3)n1)CC2	296957174	RAHYHOMRBMLTOR-MRXNPFEDSA-N	320.396	3.326	10	20	DGCD	
CC(C)OCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	298367960	UCARPUYRXIOWHV-UHFFFAOYSA-N	304.434	3.059	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)/C=C/c2cccnc2)C2CC2)cc1	298408370	RGBQRAKOZTWFDA-KPKJPENVSA-N	321.424	3.352	10	20	DGCD	
Cc1c(CNC(=O)c2cnn(CC(C)C)c2)n(C)c2ccccc12	348657233	BWUOHAIMPONDNL-UHFFFAOYSA-N	324.428	3.269	10	20	DGCD	
CCO[C@@H]1C[C@H](NCc2c(C)c3ccccc3n2C)[C@@H]1SC	459506327	PQSHFBGKJMHIOC-QGTPRVQTSA-N	318.486	3.485	10	20	DGCD	
CC[C@@H]1CN(Cc2c(O)cccc2Br)[C@@H](C)CO1	707143455	SHQUEZHEJBJJKV-WDEREUQCSA-N	314.223	3.154	10	20	DGCD	
CN(CCOc1ccc(F)cc1)Cc1ccc(N(C)C)cc1	726981475	TURASJAAMDKWNO-UHFFFAOYSA-N	302.393	3.403	10	20	DGCD	
CC1CCN(c2ccc(CNC(=S)NC3CC3)cc2)CC1	730953022	JXCWLFRXVFAKNP-UHFFFAOYSA-N	303.475	3.049	10	20	DGCD	
Cc1cccc(N2CCN(C(=O)c3cc(O)cs3)CC2)c1C	731868234	SOHVMBHMKLBZRA-UHFFFAOYSA-N	316.426	3.033	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CSc2ccccc21	735585288	DBOTZZYIZRDEEQ-AWEZNQCLSA-N	314.410	3.381	10	20	DGCD	
CC[C@H](COC)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	737710989	DRURWHMMFKNIFT-MRXNPFEDSA-N	300.402	3.249	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](OC)C(F)(F)F)cc1F	740008199	ZBKTYIIVEZTHBD-AWEZNQCLSA-N	322.346	3.339	10	20	DGCD	
COc1cc(N(C)Cc2cccc(C)n2)cc(OC)c1OC	741807125	VAYWCHAPXNXDDS-UHFFFAOYSA-N	302.374	3.052	10	20	DGCD	
Cc1ccc(N(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)nn1	742224361	SYLKRQJHPGFDAR-UHFFFAOYSA-N	320.396	3.469	10	20	DGCD	
COc1ccc(N(C)CCOc2cccc(F)c2)c(OC)c1	752116252	WPBDUSOOYUQNCZ-UHFFFAOYSA-N	305.349	3.358	10	20	DGCD	
CCN(CC)C(=O)C[C@H](C)NCc1ccc(N(CC)CC)cc1	765100773	AGMWPYNEFAGPQD-INIZCTEOSA-N	319.493	3.269	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CCO)C(C)C)cc1	765850421	VGFWZDVLBICOOQ-GOSISDBHSA-N	314.429	3.231	10	20	DGCD	
CCOC(=O)C[C@@](C)(NCc1ccc(OC)c(C)c1)C(C)C	775374138	HNAUPWNBOXHWIX-GOSISDBHSA-N	307.434	3.461	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(OC)CCCCC2)c1	775563991	XJSRPQUUPJQFPC-CYBMUJFWSA-N	321.417	3.179	10	20	DGCD	
Cc1cccc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O	775649368	OUSWKSMBJGZZMH-OAHLLOKOSA-N	320.433	3.142	10	20	DGCD	
CC(C)(CC(F)(F)F)NCc1ccc(N2CCOCC2)cc1	780587535	OUDWUHIJVTWXSC-UHFFFAOYSA-N	316.367	3.344	10	20	DGCD	
C[C@H](Cc1ccccc1)NC(=S)N(C)Cc1ccccc1O	786060859	JCTGYYMQGSNXGM-CQSZACIVSA-N	314.454	3.330	10	20	DGCD	
CCOC(CCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21)OCC	786971695	XRUYYUXVAWTDDA-YPMHNXCESA-N	311.397	3.458	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c(O)c1	792962089	XEHJRXSFZAEIQM-JKSUJKDBSA-N	318.417	3.169	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc3nccc(C)c3c2)c1	802783179	HQJFWZFQYIDHIK-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
OCC1CCN(c2ccc(CN[C@H]3CC[C@@H]3C3CC3)cc2)CC1	806133389	MGBWKZBRZZEYJD-UXHICEINSA-N	314.473	3.174	10	20	DGCD	
CO[C@@H]1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	814415581	WNGBWSOTMJJXRC-FRFSOERESA-N	304.434	3.135	10	20	DGCD	
Oc1c(CN[C@@H]2CCN(c3ccccn3)C2)ccc2ccccc12	816558498	BBXNCOBPJDKIEM-QGZVFWFLSA-N	319.408	3.309	10	20	DGCD	
C[C@H](CNc1ccc(Nc2ccccc2)cc1)S(C)(=O)=O	819396212	ZUSUYYZPMWJWRZ-CYBMUJFWSA-N	304.415	3.275	10	20	DGCD	
COc1cccc(O)c1CNC[C@@H]1CSc2ccccc21	824483945	XBQVNOWYKIEBCT-GFCCVEGCSA-N	301.411	3.380	10	20	DGCD	
CSC[C@@H]1CCCN1Cc1ccc(Br)cc1O	824889511	QMUNJTBQISVGPW-LBPRGKRZSA-N	316.264	3.482	10	20	DGCD	
CN(C)CCCC(C)(C)NCc1c(O)ccc(Cl)c1F	824914693	XIIXZBQOXUTSKP-UHFFFAOYSA-N	302.821	3.395	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](c2ccco2)N(C)C)cc1Cl	825051262	ZCHRDCARIFWQTP-AWEZNQCLSA-N	308.809	3.340	10	20	DGCD	
Cc1cc(CN(C)CC(C)(C)CO)ccc1N1CCCCC1	830708424	SPXJLGRTDQHVHB-UHFFFAOYSA-N	304.478	3.436	10	20	DGCD	
CSc1cc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1	831925523	YJYNELIHBLFKFN-JTQLQIEISA-N	321.398	3.082	10	20	DGCD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	838484998	ALKLRBAFZDYHDU-HKUYNNGSSA-N	313.445	3.297	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(F)(F)C(F)F	840556411	LJJGEFRPOOYAAG-SNVBAGLBSA-N	320.330	3.009	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC([C@H]2CCCO2)CC1	840937968	BBMLWVBVDXSLGQ-LJQANCHMSA-N	302.462	3.452	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](c1ccnn1C)C(C)C	840941740	KAOGNFJIDBTEQS-SFHVURJKSA-N	314.477	3.324	10	20	DGCD	
COc1cc(O)c(CNc2ccc3c(c2)CCCN3)cc1OC	841035750	HYQJVNLVPPYMCU-UHFFFAOYSA-N	314.385	3.380	10	20	DGCD	
O=C(O)CN(Cc1cc(-c2ccccc2)ccc1O)C1CCC1	848639770	LHEVBZPZADCVMW-UHFFFAOYSA-N	311.381	3.498	10	20	DGCD	
CCc1cccc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O	848916894	YNFZJHBQBRTOGV-AWEZNQCLSA-N	318.461	3.068	10	20	DGCD	
COc1cc(Br)cc(CNCC2=CCCC2)c1O	850396019	NYVRKCCSNFFIAX-UHFFFAOYSA-N	312.207	3.363	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1	858605352	RTSJRAJLGZDTFM-LLDVTBCESA-N	318.461	3.209	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)CC3(C)COC3)c2c1	863299264	ZFEDOUHXIUVBIQ-UHFFFAOYSA-N	301.386	3.022	10	20	DGCD	
C[C@@H](CNCc1c(O)ccc(Cl)c1F)CC1(C)OCCO1	865674806	ZPMCKFCXTBDOOV-SNVBAGLBSA-N	317.788	3.064	10	20	DGCD	
Cc1cnc(Cl)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1	878531591	NVUQABLSLYFLTL-UHFFFAOYSA-N	321.783	3.179	10	20	DGCD	
CCc1ccccc1CCn1cc(COc2ccc(N)cc2)nn1	881354755	ZAVFVDISIZSLGM-UHFFFAOYSA-N	322.412	3.244	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1COc2ccccc2C1	882880608	AQIOHUOAUANYTD-LLVKDONJSA-N	305.324	3.011	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)C[C@H](O)c2ccccc2)c1O	894365863	AXVCKTAGIPNCBU-PBHICJAKSA-N	315.413	3.311	10	20	DGCD	
COc1cc(C)cc(CN2CCC(c3c[nH]nc3C)CC2)c1O	894689784	IQTKKHHNIORWIM-UHFFFAOYSA-N	315.417	3.120	10	20	DGCD	
CN1CCN(c2ccc(CNc3cncc(Cl)c3)cc2)CC1	895879224	IBUGKCBEVOUBIG-UHFFFAOYSA-N	316.836	3.099	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@H](C)NC(=O)C(C)(C)C)cc1C	1135987798	IOEJVIJGFCVYRV-GJZGRUSLSA-N	320.477	3.423	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)[C@H]1CCN	1326465724	WIIKHYJAHVXZDP-LPHOPBHVSA-N	301.478	3.236	10	20	DGCD	
COc1ccc(Cl)cc1CCNC(=O)c1cc(O)cs1	1328656327	UTCVVQKTXIITBT-UHFFFAOYSA-N	311.790	3.088	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](C)CC(=O)OC(C)(C)C)c1O	1329674535	FQFOLONSAJZGCX-VXGBXAGGSA-N	309.406	3.172	10	20	DGCD	
CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(N)cc1	1337838559	PEUDSJMSHULDTJ-GOSISDBHSA-N	312.413	3.395	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCCC2(C)C)cc1	1578424491	JBPCAGVEXIRNSV-IAGOWNOFSA-N	317.477	3.085	10	20	DGCD	
Cc1cncc(/C=C/C(=O)N(CCC(=O)O)c2ccccc2C)c1	1600629422	SLYSZYPQXBLLNA-BQYQJAHWSA-N	324.380	3.220	10	20	DGCD	
C[C@@]1(C(=O)O)CC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1	1776501093	YLOZIRHPSBBCOQ-VQIMIIECSA-N	316.445	3.410	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2ccccc2c1	58534685	RZFNRCLEGKSYBA-UHFFFAOYSA-N	307.349	3.224	10	20	DGCD	
CSc1ccc(C(=O)NCCCSc2nccs2)o1	114375830	RSVPMVKNLMHGKC-UHFFFAOYSA-N	314.457	3.370	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCN(C)[C@H](C)CC	66703141	VPQQLXHFKYNXNK-OAHLLOKOSA-N	321.465	3.044	10	20	DGCD	
Cc1ccc(O)c(CN2CCCN(C(=O)c3ccccc3)CC2)c1	179483332	OHQWYMAESXTZKN-UHFFFAOYSA-N	324.424	3.049	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2cn[nH]c12	174514314	XGKYRXIDAQKJLK-UHFFFAOYSA-N	321.380	3.077	10	20	DGCD	
COCCCCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	122784571	POMXZDPWMPRWBD-OAHLLOKOSA-N	324.440	3.130	10	20	DGCD	
CCC[C@@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	183569765	WHVXZFUHZJQHTL-LSDHHAIUSA-N	322.424	3.103	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCOC[C@@H]1CCCO1	319812239	KTSCSRVAAOAEKE-OWCLPIDISA-N	319.445	3.424	10	20	DGCD	
CCN(CCO)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	126408508	LYVLTKNCEKLDRG-UHFFFAOYSA-N	320.820	3.202	10	20	DGCD	
CC[C@@H](CCO)CN[C@@H](C)c1cc(Br)ccc1O	185676576	LWEMJNRCXQATNL-QWRGUYRKSA-N	316.239	3.214	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccccc3)CC2)cc1F	71711608	VNBJNBKCBNTFOL-UHFFFAOYSA-N	300.377	3.157	10	20	DGCD	
C[C@@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1ccc(F)cc1O	320568448	PPNKHFYNGVKUIH-GFCCVEGCSA-N	322.424	3.219	10	20	DGCD	
COc1ccc(CNCc2cc3c(cc2O)OCO3)cc1Cl	132375459	UTIKFISJEGOXQJ-UHFFFAOYSA-N	321.760	3.073	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cn(C(C)(C)C)nn2)cc1	190792600	VQTCQCACEVMGDG-UHFFFAOYSA-N	315.465	3.169	10	20	DGCD	
COc1cccc(CN(C)Cc2cccc(N(C)C)c2)c1O	93863573	HRUOJACWGFDTSB-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCc2ccc(Cl)cc21	255679948	QZSZSLBMSCPYDP-RJRFIUFISA-N	302.736	3.477	10	20	DGCD	
CCn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1	265100718	SBJCBNKSDKWUDA-UHFFFAOYSA-N	314.433	3.020	10	20	DGCD	
CCS(=O)(=O)c1ccccc1NCc1ccc(N(C)C)cc1	276344465	SRGHFQHUGBHHFN-UHFFFAOYSA-N	318.442	3.158	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2nncn2-c2ccccc2)c(O)c1C	273435021	WRZAFYOPUBMZLU-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)c2nccs2)c1	273395227	FHNIXYAUVATNLF-GHMZBOCLSA-N	320.414	3.090	10	20	DGCD	
C[C@@H](NCc1cc(F)ccc1O)c1ccc2c(c1)CCC(=O)N2	289488369	RHLNZBIHERFCRL-LLVKDONJSA-N	314.360	3.267	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC(F)(F)C1	283809705	OPWUVZAGMBJFBJ-GFCCVEGCSA-N	312.360	3.359	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCOCC1	283701440	SFHBADLLJNUNOE-MRXNPFEDSA-N	320.433	3.273	10	20	DGCD	
CCn1nc(C)c(CN[C@@H](C)c2cc3c(cc2O)CCCC3)n1	818344514	DSQFYTSNUFWNNX-LBPRGKRZSA-N	314.433	3.042	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)c3cnn4c3CCC4)cc12	817762419	UDJGVAQJCGFDIN-UHFFFAOYSA-N	309.369	3.157	10	20	DGCD	
O[C@@H](CNc1ccccc1OCC1CC1)COc1ccccc1	819450406	BCBBXMRABHCFNO-INIZCTEOSA-N	313.397	3.327	10	20	DGCD	
CCc1c(C(=O)NCc2ccc(N(CC)CC)cc2)ccn1C	810165121	KUFPGOUYSQZYGH-UHFFFAOYSA-N	313.445	3.364	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1csnn1	817295511	JKWZCFRUMVSHRL-CYBMUJFWSA-N	303.431	3.382	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)CCc3cnccn3)cc12	817762550	VWYPTLNOCGLWPW-UHFFFAOYSA-N	309.369	3.123	10	20	DGCD	
CCCC[C@H](CN)N[C@@H](C)c1ccc(Br)cc1O	817963201	SFQIRPQCWJIUTB-CMPLNLGQSA-N	315.255	3.323	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OS(=O)(=O)CCCCF)cc12	817152330	ZDOBZKWZDQCWOB-UHFFFAOYSA-N	313.394	3.253	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(C(F)F)CCCC2)c1	813489018	LOHFDRWROPDUOH-SNVBAGLBSA-N	313.344	3.404	10	20	DGCD	
C[C@H](N)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	817994001	VVGBFOKPGTXBRZ-AWEZNQCLSA-N	311.429	3.045	10	20	DGCD	
CC(C)(CO)[C@H](NCc1cc(Cl)ccc1O)c1cccnc1	816637591	IPRLYIHFRRNFQY-MRXNPFEDSA-N	320.820	3.290	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C(C)(C)[C@@H](N)c1ccccc1	817921986	MQIVSXZGRXTBKC-KRWDZBQOSA-N	312.413	3.077	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H]2CCN2C(=O)OC(C)(C)C)c(O)c1	724912011	GWYOWXFCOZZJSA-UONOGXRCSA-N	320.433	3.361	10	20	DGCD	
C[C@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccccc1O	724943321	NPUORPFEHXCHDU-STQMWFEESA-N	306.406	3.052	10	20	DGCD	
Cc1cc(O)c(CNC2CCC3(CC2)OCCO3)cc1Cl	825124990	CAUFAJPJDMEKNN-UHFFFAOYSA-N	311.809	3.129	10	20	DGCD	
Cc1ccc(F)c(CC(=O)NCCCSc2nccs2)c1	823297882	KTMGUFHWYDSIFZ-UHFFFAOYSA-N	324.446	3.432	10	20	DGCD	
CCSc1cccnc1C(=O)N[C@H](C)c1ccccc1O	827952292	MRDHBBYNDXXYLB-LLVKDONJSA-N	302.399	3.390	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1C	822210523	FXJBXHUJTVWJAF-ZDUSSCGKSA-N	323.400	3.040	10	20	DGCD	
CCN(CC(=O)O)Cc1ccc(N(C)Cc2cccs2)cc1	901426996	XDQQGGQUAMPTEV-UHFFFAOYSA-N	318.442	3.291	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H]1COC3(CCCCCC3)O1)CC2	834737878	ZPYHLADURJOTOA-CVEARBPZSA-N	317.429	3.435	10	20	DGCD	
CC1=CC[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1	839145872	UMIBWPATVRGKKI-OAHLLOKOSA-N	322.399	3.390	10	20	DGCD	
CCC(C)(C)OCC(=O)NCc1ccc(N2CCCCC2)cc1	837373120	GXVJELUKLWWPEC-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
CC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1	749908831	KRIZMORFLBLCGW-UHFFFAOYSA-N	304.459	3.046	10	20	DGCD	
CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccccc1O	748300163	PDUWEOIFGLHUGQ-OAHLLOKOSA-N	303.333	3.005	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1F	746798634	ZYXWTGAXASINLD-UHFFFAOYSA-N	308.303	3.100	10	20	DGCD	
C[C@@H](N[C@@H](CCO)c1ccccc1F)c1ccc(F)cc1O	842924428	QCCJKNVXJQUANG-BZNIZROVSA-N	307.340	3.445	10	20	DGCD	
COc1ccc(O)c(CNCc2cnccc2C(C)(C)C)c1	840959792	VNDBZTWWKOALIK-UHFFFAOYSA-N	300.402	3.383	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](C(=O)O)[C@H]3CCCC[C@H]32)cc1	849345345	IHLXAIVZGHICMP-FGTMMUONSA-N	316.445	3.218	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]1C(C)C	840478695	BJAGFOKZJSWPIK-MAUKXSAKSA-N	317.477	3.432	10	20	DGCD	
C[C@@H](CCCC(F)(F)F)NC(=O)/C=C/c1ccc(O)c(O)c1	757647142	OIGNTXBRAPDXGN-STUBTGCMSA-N	317.307	3.348	10	20	DGCD	
Cc1nnc([C@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)o1	759630853	CUULVEYDIGVIFI-ZDUSSCGKSA-N	324.384	3.277	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1cc(F)cc(F)c1O	756586436	RRWDAFSPYDYNGS-RFAUZJTJSA-N	319.355	3.497	10	20	DGCD	
CCOCCCN[C@@H](C)c1cc(Br)c(F)cc1O	756343383	YJYKRCQRAHGJNE-VIFPVBQESA-N	320.202	3.371	10	20	DGCD	
COc1cc(CN[C@@H](C)CC(C)(C)O)c(O)c(C(C)(C)C)c1	850315743	KXUBMEAGIFLSAZ-LBPRGKRZSA-N	309.450	3.337	10	20	DGCD	
Cc1cc(CO)cc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1	853209048	KOGYRDSGJKASIA-UHFFFAOYSA-N	311.429	3.117	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCC(F)(F)C1	763708667	QUAKTQQFQVXGPH-LBPRGKRZSA-N	324.371	3.258	10	20	DGCD	
Cc1cccc2c1N[C@@H](c1cc(Cl)cc(F)c1O)NC2=O	768266301	OZSJMLZIFATTLP-CQSZACIVSA-N	306.724	3.347	10	20	DGCD	
CCc1cccc(CNc2ccc3c(c2)CN(C(C)=O)C3)c1O	1118336193	GIMQMWZDENTTOP-UHFFFAOYSA-N	310.397	3.429	10	20	DGCD	
CCO[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	773610732	FVMAFPHVUHQLIB-WMLDXEAASA-N	319.449	3.024	10	20	DGCD	
C[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCc2ccccc21	779509725	HKSFKUSFBHLNHZ-XADARROHSA-N	323.392	3.479	10	20	DGCD	
COCCOc1ccc(CNCc2c(C)cccc2O)cc1	876928376	BNIGVIOBSQBIPW-UHFFFAOYSA-N	301.386	3.016	10	20	DGCD	
C[C@@H](CC(=O)N(C)c1ccc(N)cc1)N1CCc2ccccc21	877074659	OKEQFOGQYJTRBU-AWEZNQCLSA-N	309.413	3.073	10	20	DGCD	
Cc1ccc2c(c1)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)CC2	779513700	IIDSANKTKAPBRE-VCELZJIISA-N	309.365	3.223	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCn2ccc(C(F)(F)F)n2)c1	872109600	OWSSCFQSJREEEH-NSHDSACASA-N	313.323	3.267	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1O	775014827	QHWLAWUHTXYGAH-OUCADQQQSA-N	320.389	3.367	10	20	DGCD	
Cn1ccnc1[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	775190226	NXQJKPFWKDJBSJ-NSHDSACASA-N	323.799	3.298	10	20	DGCD	
CO[C@H]1Cc2ccc(NCc3cc(F)cc(F)c3O)cc2C1	883086617	AJVZYFVASLJTSY-HNNXBMFYSA-N	305.324	3.396	10	20	DGCD	
COC(=O)Cc1ccccc1CN[C@@H](C)c1c(O)cccc1F	886634866	ORRKXLZFAMOSTA-LBPRGKRZSA-N	317.360	3.098	10	20	DGCD	
O=C(/C=C/c1ccc[nH]1)NCc1ccc(N2CCCCC2)cc1	783586546	WTJYTUQFMXWREH-DHZHZOJOSA-N	309.413	3.335	10	20	DGCD	
COc1ccc2c(c1)CC[C@@H](NCc1cccc(OC)c1O)C2	784625089	VFYVLJLVYBELGE-MRXNPFEDSA-N	313.397	3.057	10	20	DGCD	
CCOC(=O)[C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1	1204323018	ZBRXLLMZJQBHIH-GOSISDBHSA-N	316.445	3.204	10	20	DGCD	
Cc1noc(C[C@@H]2CCCN(Cc3c(O)cccc3Cl)C2)n1	897579013	MEAQDICTCWQZPZ-LBPRGKRZSA-N	321.808	3.192	10	20	DGCD	
CC[C@@H](COC)NCc1ccc(N(C)C)cc1C(F)(F)F	792992578	POVCIBBNYZEXKO-LBPRGKRZSA-N	304.356	3.286	10	20	DGCD	
CCSCc1ccnc(NC(=O)c2c(F)ccc(O)c2O)c1	790076239	QRZRHFTXVPBPPV-UHFFFAOYSA-N	322.361	3.137	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](CO)CC2CCCC2)c1	798938078	RKEGAPBQRUQVFW-DZGCQCFKSA-N	307.434	3.240	10	20	DGCD	
CN(C)CCCNCc1ccc2c(c1)CCN2Cc1ccccc1	796258720	QDYNTJSVTLCGOY-UHFFFAOYSA-N	323.484	3.291	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN(C[C@@H]1CCOC1)C1CC1	1319932827	VKSOMTJNMBKGQZ-KRWDZBQOSA-N	300.446	3.288	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[C@@H](F)C1	1329235458	FNLVNMCUKLKRCL-HZPDHXFCSA-N	319.424	3.367	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@H]1C[C@H](C)c3c(C)ccc(O)c31)C2	1325341360	VHKKEMWUOWGOBU-NUTKFTJISA-N	323.440	3.494	10	20	DGCD	
Nc1ccc(CN2CCC[C@@H](CN3CCCCCC3)C2)cc1	1356083631	WDQSPBQNEHCUQT-SFHVURJKSA-N	301.478	3.357	10	20	DGCD	
N[C@@H]1CC=C(C(=O)N2CCCSc3cc(Cl)ccc32)C1	1580170908	BBOUBPWVRLNDBA-GFCCVEGCSA-N	308.834	3.216	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@@H](C(=O)O)c3ccccc32)cc1C	1594094375	IZMAGBPSZVEUCA-IAGOWNOFSA-N	311.381	3.406	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H](C)[C@@H]3C[C@@H]3C(=O)O)cc2)CC1	1594434226	HMJGOMTZLCZBBR-JLSDUUJJSA-N	316.445	3.122	10	20	DGCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C1=CCCCC1	154460469	SEIQEDZZMXGIFU-UHFFFAOYSA-N	316.470	3.356	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2cncc(F)c2)cc1F	159848869	JXBQBZDLPUTJRQ-ZZXKWVIFSA-N	304.296	3.045	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCN(C2CC2)C1	37649129	CHCWYTLDXHTHGT-JTQLQIEISA-N	315.244	3.273	10	20	DGCD	
CCOc1ccccc1NC[C@H](O)COCc1cccs1	37874950	CAVITEPASRDMDG-ZDUSSCGKSA-N	307.415	3.136	10	20	DGCD	
COC(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1	47192433	HWAGVQJZAAMEEK-UHFFFAOYSA-N	324.380	3.326	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCOc2ccccc21	76841546	PQQRAOUCVAMFKI-SFHVURJKSA-N	324.424	3.277	10	20	DGCD	
CN(C)C(=O)Cc1ccc(NCc2c(O)cccc2Cl)cc1	114763004	POWKSJAEJHDFGD-UHFFFAOYSA-N	318.804	3.288	10	20	DGCD	
COc1ccc(CNCc2ccc(N(C)C)cc2C)cc1F	115629347	ZXUBDBOJYHTALH-UHFFFAOYSA-N	302.393	3.499	10	20	DGCD	
COCCOc1cc(C)ccc1NCc1cccc(OC)c1O	119781166	BEMHHDNIBBGCDB-UHFFFAOYSA-N	317.385	3.347	10	20	DGCD	
C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)N(C)Cc1ccccc1O	121142900	CNAHBKXCZZYZET-QLFBSQMISA-N	304.434	3.002	10	20	DGCD	
CC(C)(C)SCCCC(=O)NCCc1ccc(O)c(O)c1	122564331	KDHMPMXMNWKZMV-UHFFFAOYSA-N	311.447	3.068	10	20	DGCD	
C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc2c(c1)CCCN2C	131352673	LCQZPPIYQHBQMU-ZIAGYGMSSA-N	301.434	3.151	10	20	DGCD	
CCCOc1ccc(CNCCC(=O)OC(C)(C)C)c(O)c1	174434792	UZYJHGGWRRFIDM-UHFFFAOYSA-N	309.406	3.002	10	20	DGCD	
Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CC=CC3)cc2)n1	178235458	MTHSKRJQVTZIRZ-UHFFFAOYSA-N	310.357	3.287	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2ccc(F)cc12	183599841	ZIMUXLHARCUCOO-JTQLQIEISA-N	313.332	3.223	10	20	DGCD	
CCOc1cccc(CNCc2ccc(C(C)(C)O)cc2)c1O	187509640	WLXVUYAOCMHIQM-UHFFFAOYSA-N	315.413	3.308	10	20	DGCD	
Cc1ncccc1/C=C1/SC(NC2CCCCC2)=NC1=O	255353844	GTXQJASEYLJDFV-GXDHUFHOSA-N	301.415	3.283	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H](CO)c2c(F)cccc2F)c1	273526990	VMCJIAPVSVZCJJ-NHYWBVRUSA-N	307.340	3.363	10	20	DGCD	
CO[C@H](C)CCN[C@H](C)c1cc(Br)ccc1O	273564627	JEAJMEPZSARLPV-NXEZZACHSA-N	302.212	3.230	10	20	DGCD	
CCN(Cc1n[nH]c(C(C)(C)C)n1)c1ccc(OC)c(OC)c1	293013356	UROIXRUZVKKFMG-UHFFFAOYSA-N	318.421	3.146	10	20	DGCD	
Cc1cc(C)c([C@H](C)Nc2cccc(OCC(N)=O)c2)c(O)c1	294795684	ORYJTCFEWJZTRS-ZDUSSCGKSA-N	314.385	3.046	10	20	DGCD	
COc1ccc(N2CCC(Nc3nc(C(C)C)no3)CC2)cc1	301300014	ULZNINHSFUEDAC-UHFFFAOYSA-N	316.405	3.283	10	20	DGCD	
CSC[C@H](CCO)N[C@@H](C)c1ccc(N2CCCCC2)cc1	305102988	AMUQJBJBBAJHIR-RDJZCZTQSA-N	322.518	3.442	10	20	DGCD	
CC[C@H](N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(N(C)C)cc1	374527100	NUMPGFNRBXNERQ-WDSOQIARSA-N	318.461	3.131	10	20	DGCD	
Cc1ccc([C@H](C)NCCn2cc(Br)cn2)c(O)c1	382464426	ZHSILMWKCUSJAN-NSHDSACASA-N	324.222	3.010	10	20	DGCD	
CCC[C@H](NC(C)C)C(=O)NCc1c(C)c2ccccc2n1C	509412300	YUCUBSNQIIWANR-INIZCTEOSA-N	315.461	3.270	10	20	DGCD	
Cc1cc(C)c(CNCc2ccc(Br)cc2O)cn1	701014573	KEDZHROUKYKZHV-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
COc1cccc(CNc2ccnc(-c3ccccc3)n2)c1O	729181468	FXCFMLGXAAVCSC-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
CCN(CC)c1ccc(CNCCN2CCCCC2)cc1F	740000468	CXBILWICQDLREW-UHFFFAOYSA-N	307.457	3.247	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)OCC3CCC3)cs2)cc1	751945462	OPTZFQMXZOQRAT-UHFFFAOYSA-N	302.399	3.273	10	20	DGCD	
CC(C)[C@@H](CC(=O)O)NCc1cc(Cl)cc(Cl)c1O	756360421	GRTRKFHLULQEKQ-LLVKDONJSA-N	306.189	3.288	10	20	DGCD	
C[C@]1(C(=O)O)CCC[C@H]1NCc1ccc(N2CCCCC2)cc1	756385415	DMOIKIDJWUTQAC-MJGOQNOKSA-N	316.445	3.410	10	20	DGCD	
C[C@H](NC[C@H](C)N1CCCC[C@H]1C)c1cc([N+](=O)[O-])ccc1O	756412519	UPIZUBFXJXRVMZ-RDBSUJKOSA-N	321.421	3.214	10	20	DGCD	
CO[C@H](C)CCN[C@@H](C)c1cc(Br)c(F)cc1O	756525387	BMDMUQLHOXXHDF-BDAKNGLRSA-N	320.202	3.369	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCc3nc(C)ncc32)c1	756585972	OJQHYSQHIVQALT-BDJLRTHQSA-N	313.401	3.227	10	20	DGCD	
COc1ccc(CN[C@@H]2CC[C@@H]3SCCS[C@H]32)cc1C	762619168	XQCFYZMQZJGLQL-KBMXLJTQSA-N	309.500	3.473	10	20	DGCD	
CC[C@@H](NCCc1nnc2ccccn12)c1ccc(N(C)C)cc1	764642393	ZIUKKJFVBNCJKM-QGZVFWFLSA-N	323.444	3.079	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1c1ccsc1)[C@H](O)CO2	768439703	MRXKUCYNPBEAKL-GOEBONIOSA-N	317.410	3.217	10	20	DGCD	
C[C@@H](NC(=O)CCOc1ccccc1)c1ccc(N(C)C)cc1	773010324	TUZVPFNTQZWEKW-OAHLLOKOSA-N	312.413	3.399	10	20	DGCD	
C[C@@H](NS(=O)(=O)CCC(C)(C)C)c1ccc(N(C)C)cc1	773089138	SBSWLIHXIUVIHT-CYBMUJFWSA-N	312.479	3.169	10	20	DGCD	
CC(C)CN1CC(=O)N[C@@H]1c1cc(Cl)c2ccccc2c1O	774545889	BLTDPANALQVSGY-KRWDZBQOSA-N	318.804	3.285	10	20	DGCD	
COCCN(CC(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776239575	UOLPSWFVWUKKRZ-OAHLLOKOSA-N	321.465	3.128	10	20	DGCD	
O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(O)c1O	776351195	UXLHSLSCYJCCSA-ZBFHGGJFSA-N	311.381	3.239	10	20	DGCD	
COc1cc(CN2CCC[C@H](OCC3CC3)C2)c(O)cc1C	777550179	FXZCPMKEWAZZIQ-INIZCTEOSA-N	305.418	3.100	10	20	DGCD	
C[C@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1	779489727	SRZYVSZFMIJSGP-MZBZXASESA-N	315.394	3.318	10	20	DGCD	
Cc1ccc(C(=O)Nc2nc3ccccc3n2C2CC2)c(O)c1O	780994530	FSMMLHRYAXSKHK-UHFFFAOYSA-N	323.352	3.343	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(C2CC2)c1	783382165	VVTOAAZTIAJWBA-UHFFFAOYSA-N	309.413	3.297	10	20	DGCD	
C[C@H](NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1O	783517765	IXWFSWOZFQKEQO-NSHDSACASA-N	312.348	3.167	10	20	DGCD	
CC[C@H](NCc1ccc(C)n(C)c1=O)c1cc(Cl)ccc1O	786933311	BNNRKMCZBNCZRR-HNNXBMFYSA-N	320.820	3.294	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1c[nH]c2cccnc12	791210162	QXUKVLNJJAGJSZ-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
CC[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O	794817807	RATNKTMYFSUKPP-HIFRSBDPSA-N	304.434	3.141	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@H](O)c2ccc(CC)cc2)c1	796451872	PWYSHDMJSNRDGQ-IBGZPJMESA-N	315.413	3.177	10	20	DGCD	
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1cccc(O)c1O	798018200	UUGKOMFHTDBHTE-GXFFZTMASA-N	321.735	3.176	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CCN(CC3CC3)C2)c1O	808694053	ZGSYAGLNRKKFDK-IUODEOHRSA-N	308.853	3.489	10	20	DGCD	
CCOc1ccc(CN2CCOC[C@@H](C3CCC3)C2)c(O)c1	814178419	PFEQURBYZAFBTR-INIZCTEOSA-N	305.418	3.039	10	20	DGCD	
O=C(NCCCSc1nccs1)c1ncccc1Cl	815591164	YZUVEKOUHCLLMI-UHFFFAOYSA-N	313.835	3.104	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCCc3sccc32)cc1	817938749	RHCNELAYAHIGIU-IAGOWNOFSA-N	315.486	3.481	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H](N)C1)c1cccc(C(F)(F)F)c1O	817970391	UKPWNVZTZZOBQW-GARJFASQSA-N	302.340	3.332	10	20	DGCD	
Cc1ccc(CCNC(=O)N(C)Cc2ccccc2O)cc1C	821754406	CCTQZFLRAWBGMG-UHFFFAOYSA-N	312.413	3.393	10	20	DGCD	
COc1ccc(O)c(CN2CC3(CCC3)[C@@H]2C2CCOCC2)c1	822530082	PMYXOLDIISQTQK-SFHVURJKSA-N	317.429	3.182	10	20	DGCD	
COc1ccc(N(C/C=C(\C)C(=O)O)Cc2ccco2)cc1F	832383239	BVRZPZIIMSEGLJ-KPKJPENVSA-N	319.332	3.465	10	20	DGCD	
C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccc(N)cc1	837303040	RCJMQSBBOPGBTR-CYBMUJFWSA-N	300.377	3.293	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](CO)c2ccc(F)cc2)c(O)c1	840882033	SEHREWHBQPPTDP-DZGCQCFKSA-N	303.377	3.266	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC[C@@H]2C[C@H]2c2ccccc2)cc1	841044427	WPMKKFQICLDUQG-YSIASYRMSA-N	309.457	3.146	10	20	DGCD	
C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1	841301407	NYKIPSDVMQPWHV-KDOFPFPSSA-N	324.428	3.226	10	20	DGCD	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCCc1ccc(N)cc1	841961205	BQYMTBBOEGOAGH-ZDUSSCGKSA-N	315.392	3.353	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]2[C@H]2CCCOC2)c1O	843415910	FAHHJNPLMLMLKX-JKSUJKDBSA-N	305.418	3.182	10	20	DGCD	
CC[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C	843430684	CSNHTPXEXLCVSP-LBPRGKRZSA-N	317.788	3.395	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CNc3ccccc3C2)c(Cl)c1	844906625	VNFSEPNLSIGDPG-ZDUSSCGKSA-N	302.805	3.480	10	20	DGCD	
CCC[C@@H](C)S(=O)(=O)NCc1ccc(N(CC)CC)cc1	845823710	KNVGUGPRNXGXJB-CQSZACIVSA-N	312.479	3.141	10	20	DGCD	
Cc1cc(CN2CCCC[C@@H]2C(=O)O)ccc1N1CCCCC1	846224560	QFAWFAVSVRHOFS-GOSISDBHSA-N	316.445	3.424	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2COCc3ccccc32)cc1F	858179585	OYPXPPMYXLHTJF-QGZVFWFLSA-N	318.367	3.392	10	20	DGCD	
C[C@H]1CSCCN1Cc1c(O)cccc1Br	862244774	FTOZWQBULGBNBO-VIFPVBQESA-N	302.237	3.092	10	20	DGCD	
CCCOc1cc(OC)ccc1C(=O)N(C)c1ccc(N)cc1	877076764	VFZKXSCDPBZKBD-UHFFFAOYSA-N	314.385	3.343	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)c1O	894366317	LPTNLNJYJQMNLF-GOEBONIOSA-N	307.434	3.393	10	20	DGCD	
CC(C)(NCc1cc(F)cc(F)c1O)[C@H](O)c1ccccc1	895662992	UVFFOEJVONYRJG-MRXNPFEDSA-N	307.340	3.272	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](c2cnn(C)c2)C(C)C)c1O	897080744	BHPUVCDEWLSFKJ-HNNXBMFYSA-N	323.824	3.275	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCC[C@H]1CCCC[C@H]1O	897535779	DUJWJGLIZTVRPS-ZWNOBZJWSA-N	301.789	3.216	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	910946367	NHZJORZRPPNYEQ-APHBMKBZSA-N	303.402	3.321	10	20	DGCD	
Cc1cc(C(=O)NOCc2ccccc2)c(C)n1-c1ccccn1	914847002	HGYCFMVTHNILNU-UHFFFAOYSA-N	321.380	3.351	10	20	DGCD	
Cn1cc(CCCN2CCCc3cc(OC(F)F)ccc32)cn1	920760388	IHHDDWDWVZUHEO-UHFFFAOYSA-N	321.371	3.407	10	20	DGCD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1c(Cl)ccc2nonc12	1118783994	NJNZGCUBCPXFQF-GMSGAONNSA-N	309.753	3.018	10	20	DGCD	
C[C@H](NC(=O)c1c(F)ccnc1Cl)c1ccc(N(C)C)cc1	1123789947	NQJVDADJLMUVDU-JTQLQIEISA-N	321.783	3.431	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@](C)(C(=O)O)c1ccccc1	1333125031	ORSJFVRNKMFARF-LJQANCHMSA-N	312.413	3.151	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC[C@@H]2c2ccsc2)cc1	1336289900	CPAXQLVAEMLUPV-OAHLLOKOSA-N	301.415	3.377	10	20	DGCD	
CNC[C@@H](C)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	1578638927	XXEDGDOHXWZCJJ-CQSZACIVSA-N	313.445	3.049	10	20	DGCD	
CC[C@@H](C(=O)O)N(C)Cc1ccc(N2CCCCC2)c(C)c1	1603500792	OSWBTYHPSJFDPP-INIZCTEOSA-N	304.434	3.280	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)cc1	1610041826	DWSFOFQIOYOVBH-LBPRGKRZSA-N	315.369	3.340	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@H]2CCOC2)c1C	42726942	NHWQUJUHZOZBKK-MRXNPFEDSA-N	312.413	3.169	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCCn2ccnc2)c1C	75862258	ZMWLJCAWLIJWEM-UHFFFAOYSA-N	322.412	3.029	10	20	DGCD	
C[C@@H](NCCc1cn2ccccc2n1)c1ccc(N(C)C)cc1	130585266	IFHHUCQXOUAPJL-OAHLLOKOSA-N	308.429	3.294	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1	152590328	HOINQCRYOPPYBA-CABCVRRESA-N	316.351	3.009	10	20	DGCD	
CN(Cc1ccc(N(C)C)c(F)c1)Cc1nccn1C(F)F	154988933	NTRHDPFDRJMYKW-UHFFFAOYSA-N	312.339	3.115	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@]2(C)CCOC2)c1C	157115245	FZWJURQEPOQHLE-LJQANCHMSA-N	312.413	3.311	10	20	DGCD	
COc1cc(O)c(CN2CC[C@@H](c3ccccc3)C2)cc1OC	160035162	WEWKLHCZIDRSOB-OAHLLOKOSA-N	313.397	3.399	10	20	DGCD	
Oc1ccc(Br)cc1CN[C@@H]1CCCSC1	165244108	HOFWGDUXBKZYHO-LLVKDONJSA-N	302.237	3.140	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(-c3ccccc3)[nH]2)c1O	171869399	DSARPZNNWJNBCG-UHFFFAOYSA-N	322.364	3.326	10	20	DGCD	
CCOCc1cc(CN[C@H]2CCOC(C)(C)C2)ccc1OC	178780209	GLKQEGWOBYYECE-INIZCTEOSA-N	307.434	3.279	10	20	DGCD	
C[C@H]1CCN(Cc2ccccc2O)CCN1Cc1ccccc1	179582826	ZPZHJEANIBXIGH-KRWDZBQOSA-N	310.441	3.489	10	20	DGCD	
CCCc1cnc(NC(=O)NCc2cc(OC)ccc2O)s1	180796657	KAUXGURYSKEIPY-UHFFFAOYSA-N	321.402	3.132	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)CCn2cccn2)cc1	182557445	FSDMLQGPQKOQML-INIZCTEOSA-N	300.450	3.298	10	20	DGCD	
C[C@H]1CCCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	185494789	AYGDWAYEBJWHTI-INIZCTEOSA-N	313.445	3.394	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(F)c1	189425417	YFDNUJJZRBFMHD-UHFFFAOYSA-N	309.362	3.203	10	20	DGCD	
CCOc1ccccc1[C@@H](CC)NC(=O)Cc1ccc(N)cc1	236988768	NLWGMQGXUPSHIM-QGZVFWFLSA-N	312.413	3.478	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)[C@H]2CCOC2)c(C)n1-c1ccccc1	266150075	IVTBUDVQCAJTHV-HOCLYGCPSA-N	312.413	3.249	10	20	DGCD	
C[C@@](O)(CNCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	270478140	IXLABJLYTCXTNO-SNVBAGLBSA-N	318.122	3.102	10	20	DGCD	
C[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O	273512986	RZNLSGQAPVHSGM-LKFCYVNXSA-N	311.303	3.194	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)c(O)c1	273543004	YUGUICXUJGYOJB-GFCCVEGCSA-N	311.385	3.064	10	20	DGCD	
C[C@@H](NCc1cn2c(n1)CCCC2)c1ccc(F)c(F)c1O	276957876	RLDNQDPPNULZJJ-SNVBAGLBSA-N	307.344	3.054	10	20	DGCD	
CC[C@H](N[C@@H](C)[C@@H](CO)SC)c1cccc(Cl)c1O	287880048	YJJFFURRLZCOOZ-TVYUQYBPSA-N	303.855	3.199	10	20	DGCD	
Cc1cnc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)o1	291767491	NIHJAXCWQFRNDW-UHFFFAOYSA-N	313.401	3.149	10	20	DGCD	
CO[C@H](CN[C@H](C)c1ccc(Br)cc1O)C1CC1	293636852	GWCYGRCLQINYFK-YMTOWFKASA-N	314.223	3.230	10	20	DGCD	
COC(=O)C(C)(C)c1csc(-c2ccc(N(C)C)cc2)n1	314233858	TYYUUWOQQGGRDA-UHFFFAOYSA-N	304.415	3.327	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](Cn2ccnc2)C(C)(C)C)c1	319981728	JRGMCEMQTDUTHG-DYVFJYSZSA-N	317.433	3.363	10	20	DGCD	
CN1Cc2ccccc2[C@@H](NCc2c(O)ccc(Cl)c2F)C1	365170596	LMXQYLQMTXSLNB-HNNXBMFYSA-N	320.795	3.461	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1[C@H]2CCC[C@H]1CC2	378032070	BVDPOWQAFRZUPK-ROUUACIJSA-N	311.429	3.289	10	20	DGCD	
CC[C@@H]1CN(Cc2c(O)cccc2Br)[C@H](C)CO1	707143452	SHQUEZHEJBJJKV-GHMZBOCLSA-N	314.223	3.154	10	20	DGCD	
CS[C@@H](C)CNCc1cc(Br)cc(F)c1O	715745264	LLNCSGHQNBELBM-ZETCQYMHSA-N	308.216	3.135	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c(O)c1	724912007	GWYOWXFCOZZJSA-KGLIPLIRSA-N	320.433	3.361	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC[S@@](=O)c1ccccc1	729470405	MSMUDNJKHGRDNM-JOCHJYFZSA-N	315.438	3.256	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCc1ccc(F)cc1F	746964190	QHMDRMDPGRJWIQ-UHFFFAOYSA-N	306.312	3.012	10	20	DGCD	
Cc1ccc2c(c1)N(C(=O)/C=C/c1cncc(F)c1)C[C@@H](C)O2	747896793	XUELAJUPZIJLQM-DIECRNLCSA-N	312.344	3.356	10	20	DGCD	
COC[C@H](C)CC(=O)N(Cc1ccco1)Cc1ccccc1O	755811474	YWGMCTCDURZPOC-CQSZACIVSA-N	317.385	3.187	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cc(F)cc(Cl)c1	758171544	UXKGQKOZZACERF-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)C(C)(C)C)cc1	762263002	LHOZQYLSGLZDIF-UHFFFAOYSA-N	312.413	3.439	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)C12CCC(CC1)C2	765745824	AAORIDQUHOEZER-UHFFFAOYSA-N	324.218	3.351	10	20	DGCD	
CCC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	774904083	NUMVVQKWSAZSCW-GFCCVEGCSA-N	308.378	3.321	10	20	DGCD	
C[C@H](NC(=O)c1cccc2[nH]ncc12)c1ccc(N(C)C)cc1	775411999	TXKCEQANOCATPV-LBPRGKRZSA-N	308.385	3.120	10	20	DGCD	
CC(C)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccn1	779522159	XBMPFJHSCKMXOX-YPLUBFQTSA-N	312.369	3.020	10	20	DGCD	
CC(C)Oc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1	789961267	ZKRLKRVYTPPZEO-UHFFFAOYSA-N	305.305	3.276	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccccc1O	807837617	XXKYWRPDHLGCMT-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
C[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)Nc1ccccc1	816549010	ADWWJRMFGSICPZ-JTQLQIEISA-N	322.767	3.302	10	20	DGCD	
COC1([C@H](C)N[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)CCOCC1	817587701	HISIRIFOKMWFQI-SGMGOOAPSA-N	323.408	3.253	10	20	DGCD	
Oc1ccc(F)cc1CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1	822526241	RWXQTFMWIOEACE-IAGOWNOFSA-N	321.779	3.493	10	20	DGCD	
CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC(=O)CC1	827322887	BHHUIJYHYCRQIU-UHFFFAOYSA-N	315.413	3.037	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CC[C@@H]1CC1(Cl)Cl	830141754	XWZFOXHDWOVKJX-LLVKDONJSA-N	302.201	3.325	10	20	DGCD	
COc1cccc(OCCCN[C@@H]2CCc3cccc(O)c32)c1	834664876	XBHGUOSCYROCBP-QGZVFWFLSA-N	313.397	3.447	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](OC(=O)N(C)C)C2)cc1C(C)C	840106379	UCCBGAHUXLQLCJ-OAHLLOKOSA-N	320.433	3.097	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)[C@](C)(OC)C2CC2)c1	840860515	NYYNPTMJLDNRMS-PZROIBLQSA-N	321.417	3.033	10	20	DGCD	
O=C1CC[C@@H](c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)N1	840883062	CVTNVSCQQIWZOT-JKSUJKDBSA-N	308.381	3.443	10	20	DGCD	
CC[C@H](Cc1ccccc1)NC[C@@H](N)c1ccc(N(C)C)cc1	841046149	WZKXDEPBCVRUFZ-UYAOXDASSA-N	311.473	3.363	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1	841836443	OZVXQYBLRLJHRJ-SJORKVTESA-N	301.434	3.079	10	20	DGCD	
CC[C@H](C)[C@@H](C)N(C(=O)NCCc1ccc(N)cc1)C1CC1	841957148	FRYJNDZLNFNMLW-UONOGXRCSA-N	303.450	3.420	10	20	DGCD	
CC(C)CC[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841961038	ZNWRVQTVVASPAC-KRWDZBQOSA-N	303.450	3.422	10	20	DGCD	
COCC1(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1	843527328	IWYBXWIAKDAFKT-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
COc1cccc([C@@H](C)NCCOc2ccc(F)c(F)c2)c1O	846148681	AEYXBONDQMLMFY-LLVKDONJSA-N	323.339	3.409	10	20	DGCD	
C[C@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(Cl)cc1O	850555924	JYJCMTMCUKISCO-RYUDHWBXSA-N	324.852	3.343	10	20	DGCD	
CC(C)n1ccc(CNCc2c(O)cccc2Br)n1	858141621	QYDOPAOVGGCDQW-UHFFFAOYSA-N	324.222	3.222	10	20	DGCD	
COC(=O)CC1CCC(NCc2ccc(N(C)C)cc2C)CC1	858365965	VSNUGIKILDPZGN-UHFFFAOYSA-N	318.461	3.273	10	20	DGCD	
CO[C@H]1CCN(Cc2c(O)cccc2Br)C[C@@H]1C	862386624	WGROTKIENJMQOO-HZMBPMFUSA-N	314.223	3.012	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1O	879649103	IFGVGXHQCLTLMR-CABCVRRESA-N	318.461	3.328	10	20	DGCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)cc1	882798383	IUHIDEOIBITCBO-UHFFFAOYSA-N	321.398	3.325	10	20	DGCD	
COc1cc(C)cc(CNCc2cccnc2OC(C)C)c1O	894135009	OZJOHGSNCHULFR-UHFFFAOYSA-N	316.401	3.181	10	20	DGCD	
CN(C[C@H]1CC1(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1	1118530522	QBVCXBOQTGINHI-CYBMUJFWSA-N	307.413	3.079	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](CCO)C(F)(F)F	1119376001	KOKDQJGUHRCBOM-FOGDFJRCSA-N	303.324	3.152	10	20	DGCD	
CCOc1ccc(CN(Cc2ccccc2)[C@H](C)CO)c(O)c1	1319828226	FHNBIBFYNCPKIB-OAHLLOKOSA-N	315.413	3.174	10	20	DGCD	
CC(C)[C@@]1(CO)CCN(Cc2ccc(N3CCCC3)cc2)C1	1324199697	UYDLEIJPDLBIHJ-IBGZPJMESA-N	302.462	3.127	10	20	DGCD	
CCC[C@H](C)c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1	1329333497	DMDNFJKGJYCFGK-IOCXFXADSA-N	315.373	3.376	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC(F)F	1350919820	VFHMXXKEXWFGSC-UHFFFAOYSA-N	313.392	3.329	10	20	DGCD	
Nc1ccc(CNC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1	1580443620	SWUIMDCYTUCILU-STQMWFEESA-N	320.314	3.106	10	20	DGCD	
O=C(O)c1cnc(SCCc2ccc(F)c(F)c2)s1	1608979313	UUCJUXYFBHKOGC-UHFFFAOYSA-N	301.339	3.454	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](C(=O)O)C(C)(C)C)ccc21	1776876449	ZOWOBXDTSFOSSO-MRXNPFEDSA-N	304.434	3.048	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2scnc2C)cc1	55446535	FCGROIWRXKCBMU-UHFFFAOYSA-N	303.431	3.228	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1cccnc1	115787485	CHOIJUMTZZWVAH-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
Cc1nc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n[nH]1	103253548	WRLMFKQLDRLRHF-UHFFFAOYSA-N	309.373	3.081	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1O	136493273	DOSUATKYCJFXCT-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc3[nH]ccc3c2)c1	114575950	HVWBIOYLQZHTBO-UHFFFAOYSA-N	311.341	3.204	10	20	DGCD	
CCN(Cc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C1	184801003	VBSIZDFXYCEKEV-LJQANCHMSA-N	310.441	3.489	10	20	DGCD	
Cc1nc(C(F)(F)F)ccc1C(=O)N(C)Cc1ccccc1O	77258380	WFPNRANUPQYNFY-UHFFFAOYSA-N	324.302	3.387	10	20	DGCD	
C[C@@H](c1nnnn1C1CCCCC1)N(C)Cc1ccccc1O	189663366	WPDVHYCOZLZVMB-ZDUSSCGKSA-N	315.421	3.077	10	20	DGCD	
C[C@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O	183515724	CAGKSOVQFGEVSO-DZGCQCFKSA-N	310.397	3.128	10	20	DGCD	
CCC[C@@H](CC)NC(=O)NCc1ccc(N2CC=CC2)cc1	126242627	SWIDXYYMCXLPPV-MRXNPFEDSA-N	301.434	3.441	10	20	DGCD	
CC[C@H](CCO)CN[C@@H](C)c1cc(Br)ccc1O	185676593	LWEMJNRCXQATNL-WDEREUQCSA-N	316.239	3.214	10	20	DGCD	
Cc1ccccc1C[C@H](CO)N[C@H](C)c1ccc(F)cc1O	191573351	ZHBRARDJTKXZJG-CZUORRHYSA-N	303.377	3.094	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1	236847226	OBNUCSRANKWZJF-NSHDSACASA-N	319.405	3.322	10	20	DGCD	
CCN(CC)c1ncc(CN(C)Cc2ccccc2O)s1	91956441	JEMDMFPICDGDKR-UHFFFAOYSA-N	305.447	3.327	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1ccc(F)c(C(F)(F)F)c1	255325209	FUJSRQOWBIGASB-YWEYNIOJSA-N	307.293	3.333	10	20	DGCD	
C[C@H](COCC(F)(F)F)N[C@H](C)c1ccc(N(C)C)cc1	269070746	ZZHMNKSJZJXTKF-VXGBXAGGSA-N	304.356	3.371	10	20	DGCD	
COc1cc(C)ccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273588436	OMPZDZOYLFHYMB-LBPRGKRZSA-N	316.357	3.468	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCN2CCCO[C@H](C)C2)c(O)c1C	278778201	YECNSVDHBIZTHE-NVXWUHKLSA-N	320.477	3.161	10	20	DGCD	
CC(=O)N1CCN(Cc2cc(C)ccc2O)CC12CCCCC2	271299978	TYTKAELQJKJUST-UHFFFAOYSA-N	316.445	3.068	10	20	DGCD	
Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(N(C)C)c(F)c1	362333923	FOGNDMXTRPGMQG-QGZVFWFLSA-N	316.424	3.271	10	20	DGCD	
CCCCCN(CCCOC)C(=O)c1ccc(C)c(O)c1O	272967087	KJMSCEAUGQDOGT-UHFFFAOYSA-N	309.406	3.075	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@H](C)c1c(C)cc(C)cc1O	285200500	OBLKYHLAZNBLLT-OAHLLOKOSA-N	306.450	3.308	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1O	284927535	GTQSVGNZBHWHMR-KGLIPLIRSA-N	311.809	3.198	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCC(=O)NC2CCCC2)c1O	808705798	SGDIMIPNCAKWAV-LLVKDONJSA-N	310.825	3.063	10	20	DGCD	
CC(C)NC(=O)OC[C@H]1CCCCN1Cc1cc(F)ccc1O	809720431	GGWLIAPEULRGQV-OAHLLOKOSA-N	324.396	3.020	10	20	DGCD	
CC(C)C[C@@H](C)CNCc1ccc(N2CCOCC2)c(F)c1	809607252	UIHSAMOEEQQZFM-OAHLLOKOSA-N	308.441	3.434	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CNCC[C@H]3C)cc2)CC1	817902780	YEEROIXBQJRKQY-APWZRJJASA-N	301.478	3.011	10	20	DGCD	
CCOc1ccc(CNC2(c3noc(C)n3)CCCC2)c(O)c1	725851321	OEJMCNDAFQJKMK-UHFFFAOYSA-N	317.389	3.041	10	20	DGCD	
CC(C)[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCCO1	816675153	UEMVGNJHGBXSJE-AWEZNQCLSA-N	301.789	3.432	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)C(C)C)C2)cc1	819590815	ZQAYLIJCZRHICT-OAHLLOKOSA-N	318.461	3.320	10	20	DGCD	
CC[C@@](C)(CNCc1cc(C)cc(Br)c1O)OC	824743809	NQTQADVTETXTGH-AWEZNQCLSA-N	316.239	3.368	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2ncc[nH]2)cc1	588404412	QFAZUAJTHBSENZ-WAPJZHGLSA-N	321.336	3.140	10	20	DGCD	
Nc1ccc(NC(=O)NC[C@@H]2CCCN2C2CCCCC2)cc1	841297215	NMLJABDFXANWSI-KRWDZBQOSA-N	316.449	3.187	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C/c1cccnc1	840558563	ZDMFWENYXJBESV-OJXHRBAXSA-N	323.440	3.217	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1nc(C(C)(C)C)no1	742390882	SUXDHXBJCQOQGO-LLVKDONJSA-N	320.412	3.423	10	20	DGCD	
CCn1cc(CN(Cc2cc(OC)ccc2O)C(C)C)cn1	846056251	RPYNPCRJTMUAPD-UHFFFAOYSA-N	303.406	3.028	10	20	DGCD	
COCCOCCCCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	756516177	IDFMMVCXTKQPAU-JSGCOSHPSA-N	311.397	3.112	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N[C@H](C)c1ccc(F)cc1O	756637813	PJSSTSIKPQTGRW-CZUORRHYSA-N	303.377	3.440	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNCC12CCC(CC1)C2	756988666	BUNKLFRYSPBQDT-UHFFFAOYSA-N	300.446	3.193	10	20	DGCD	
Cc1cc(O)c(CN2CCOC(C3CC3)(C3CC3)C2)cc1C	853582304	JOMIOLMCHKLILC-UHFFFAOYSA-N	301.430	3.400	10	20	DGCD	
COC[C@@H](N[C@@H](C)c1ccccc1O)c1cccc(OC)c1	850515180	UBCCMHJETZWKAD-SUMWQHHRSA-N	301.386	3.439	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCNC(C)(C)C	930295347	DDTCSVDHVINICR-UHFFFAOYSA-N	319.493	3.268	10	20	DGCD	
CN(C)c1ccc(CNc2nnc([C@@H]3CCCO3)s2)cc1F	865295701	KPVFKHGGMHMIES-ZDUSSCGKSA-N	322.409	3.207	10	20	DGCD	
COc1ccc(N(Cc2cc(=O)c(OC)co2)CC(C)C)cc1	760822876	DMGXKVBVLYWVTR-UHFFFAOYSA-N	317.385	3.320	10	20	DGCD	
CC[C@@H](CO)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863161879	LOSONDVYMHTBLX-INIZCTEOSA-N	314.429	3.037	10	20	DGCD	
Cc1cnc([C@@H](C)N(C)Cc2ccc(N3CCOCC3)cc2)o1	771445570	WVZRXSISIJVBIX-OAHLLOKOSA-N	315.417	3.013	10	20	DGCD	
C[C@H](NC(=O)C=C1CCSCC1)c1ccc(N(C)C)cc1	773002164	YKMZYHVYUQLFLG-ZDUSSCGKSA-N	304.459	3.383	10	20	DGCD	
CCCOc1ccc(CNCc2ncccc2OC)cc1C	873129907	SYVOJXWYJSNSQE-UHFFFAOYSA-N	300.402	3.477	10	20	DGCD	
COc1ccsc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773026739	TXNLOINYIRTYJO-NSHDSACASA-N	304.415	3.314	10	20	DGCD	
Cc1cccc2ncc(CN(C)Cc3ccc(N(C)C)cc3)n12	771935560	WYLXPPWFNNLUAK-UHFFFAOYSA-N	308.429	3.341	10	20	DGCD	
COc1ncc(/C=C\C(=O)N(C)c2ccc(C)c(Cl)c2)cn1	775854963	YOQVGHWMFIDDSX-ALCCZGGFSA-N	317.776	3.123	10	20	DGCD	
Cc1cc2ncc([C@@H](C)NCc3ccc4c(c3)CCO4)c(C)n2n1	772447701	MHKKNXDKKOVCKK-CYBMUJFWSA-N	322.412	3.132	10	20	DGCD	
CCOc1ccc(CN(C)Cc2cc(OC)ccc2O)cc1	775642346	KRZHONHFPRPDHX-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@@H]2c2cccc(F)c2)c(O)c1O	780953223	TVCHXIPPBCEINS-CQSZACIVSA-N	301.317	3.133	10	20	DGCD	
CN1C(=O)COc2cc(NCc3cccc(Cl)c3O)ccc21	798962762	YSQBNKUDNLDPKS-UHFFFAOYSA-N	318.760	3.013	10	20	DGCD	
CN(C)Cc1ccc(NC(=O)c2cccc(O)c2O)cc1Cl	794233261	MDDQZIQXBKWYIA-UHFFFAOYSA-N	320.776	3.065	10	20	DGCD	
C[C@@H]1COCC[C@H]1CNCc1ccc(N2CCCCC2)cc1	796498808	YDGGZXFYOMRKQJ-AEFFLSMTSA-N	302.462	3.439	10	20	DGCD	
CC[C@@H](Nc1ccc(N(C)CCO)cn1)c1ccc(C)cc1O	794811793	HYDCHTFQNGOWJF-MRXNPFEDSA-N	315.417	3.087	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCc1cnc2n1CCCC2	1257261485	NZMFSJRNHMUMHZ-UHFFFAOYSA-N	310.445	3.109	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCC[C@@H]1c1ccccc1	1347234915	RXEOMUFWMXYMRX-CVEARBPZSA-N	311.381	3.298	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)CC(C)(C)CC(=O)O)c1	1599598281	KKKNBHDZBSUPNJ-NWDGAFQWSA-N	309.406	3.331	10	20	DGCD	
C[C@H](CC(=O)NCc1ccccc1O)Cc1cccc(F)c1	74824535	PSGPIWAQNVOORC-ZDUSSCGKSA-N	301.361	3.416	10	20	DGCD	
Cc1cc(C(=O)NC[C@H](C)C[C@@H](C)O)c(C)n1-c1ccccc1	77052686	QZAFUAREDIVTFO-UKRRQHHQSA-N	314.429	3.231	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2C)c1	103506188	HZJBEQANPNSTMK-HUBLWGQQSA-N	306.406	3.340	10	20	DGCD	
COC(=O)c1cc(CN(C)c2ccc(OC)c(F)c2)oc1C	121704122	GBLWKDDBXJTLKM-UHFFFAOYSA-N	307.321	3.159	10	20	DGCD	
Oc1ccc(CCNc2nc(-c3ccccc3)ns2)cc1O	126367222	ZYTPAMGIPAOMPW-UHFFFAOYSA-N	313.382	3.271	10	20	DGCD	
Cc1noc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1	130124281	GVJVAMHWEUYCLT-UHFFFAOYSA-N	310.357	3.346	10	20	DGCD	
CC[C@@H](c1ccncc1)N(CC)Cc1cc2c(cc1O)OCO2	131514446	OMLGGDFGZADKTJ-HNNXBMFYSA-N	314.385	3.489	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2CCCc3sccc32)cc1	168236004	VYPGSRXLKKOQJL-HNNXBMFYSA-N	300.427	3.109	10	20	DGCD	
Cc1cc(CN2CC[C@@H](N3CC=CC3)C2)c(O)c(C(C)(C)C)c1	172931674	YNHUWBXLCKPTHN-QGZVFWFLSA-N	314.473	3.444	10	20	DGCD	
CC(C)N(C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1	175861790	BGQGRWRSTBXRKF-UHFFFAOYSA-N	301.434	3.369	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C[C@H]2CCOC2)C2CC2)c1O	177027911	JUKULKNPNJHZST-GFCCVEGCSA-N	323.820	3.249	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)COC(C)(C)C)cc2)CC1	181719395	BPUTYRKXPOOMML-UHFFFAOYSA-N	318.461	3.354	10	20	DGCD	
COc1ccc(OC)c(CCN[C@@H](C)c2cc(F)ccc2O)c1	185186696	SJBBCTSBIVYWIQ-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)[C@H](OC)c2ccc(F)cc2)c1	271850138	SWSOWQVVIZJRFY-SGTLLEGYSA-N	319.376	3.406	10	20	DGCD	
COc1cc(Cl)cc(CNCC[C@H]2CCO[C@@H](C)C2)c1O	273723025	ISHUPWOPHZTTGZ-RYUDHWBXSA-N	313.825	3.349	10	20	DGCD	
C[C@H]1CN(C)CC[C@@H]1N(C)Cc1ccc(N2CCCCC2)cc1	275215587	BTQBJKINLQTVMY-PXNSSMCTSA-N	315.505	3.449	10	20	DGCD	
CON(CC(C)(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1	287481613	OUJVVBPDKDJEIK-UHFFFAOYSA-N	317.433	3.182	10	20	DGCD	
CCCCCn1c(SCC(=O)C(C)=O)nc2ccccc21	288968230	UGMBJQLVHNIJDT-UHFFFAOYSA-N	304.415	3.477	10	20	DGCD	
OC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1	293856716	BXBBLMOKRGORBJ-SNVBAGLBSA-N	304.217	3.293	10	20	DGCD	
Cc1cnc(NCc2ccc(N3CC=CC3)cc2)c([N+](=O)[O-])c1	301445797	OAZRUKJCAZSSTR-UHFFFAOYSA-N	310.357	3.287	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CNc2ccccc21	325217874	NRUJUJSKHXSVPK-MRXNPFEDSA-N	323.440	3.310	10	20	DGCD	
Cc1c(CNC(=O)c2cc(C3CC3)on2)n(C)c2ccccc12	348662817	CKNVCWORXOOMQM-UHFFFAOYSA-N	309.369	3.282	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCSc1ccccc1	588403593	MSAHCDXQWIXGGR-CLFYSBASSA-N	315.394	3.020	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2OCC[C@@H]2C1	724814987	XVJXSKKRGZQDSS-RNCFNFMXSA-N	302.201	3.310	10	20	DGCD	
CC/C=C(/C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	726562989	UEPCMINRFZYDIK-RZNTYIFUSA-N	302.418	3.137	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC1(O)CCCC1	733977557	HHTPAOAMPUFAOG-UHFFFAOYSA-N	318.442	3.191	10	20	DGCD	
CN(C)c1ccc(CNC(=O)/C=C\c2ccsc2)cc1F	746798690	POCWERGEIZRJDG-XQRVVYSFSA-N	304.390	3.283	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H](c3ccc(F)cc3)C1)OCO2	755928544	YGXHUAAJYSITJD-ZDUSSCGKSA-N	315.344	3.250	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(OC)cc2)c1	756794810	DFYGLJMCNJHVEH-NSHDSACASA-N	301.342	3.361	10	20	DGCD	
CCO[C@H](C)c1nc(COC(=O)c2cccc(O)c2O)cs1	758574068	ZPANSYUYXIGNJP-SECBINFHSA-N	323.370	3.009	10	20	DGCD	
CCN(CC)CCN(Cc1c(O)cccc1OC)CC(C)C	768741394	FGCQBNYSXMFHHP-UHFFFAOYSA-N	308.466	3.201	10	20	DGCD	
Cc1cccc(F)c1NNC(=S)Nc1ccc([N+](=O)[O-])cc1	769763651	NNYKBEXIUGXKKV-UHFFFAOYSA-N	320.349	3.356	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](F)Cc1ccccc1	778228960	VQBLRMAYZNCLKB-GOSISDBHSA-N	314.404	3.292	10	20	DGCD	
Cc1ccc(O)c(CNCc2cn(-c3ccccc3)nc2C)c1	781417497	VVIJRGFQHYFNLB-UHFFFAOYSA-N	307.397	3.485	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(C(F)(F)F)c(F)c1	784443382	BPMOHEWQRUWBCH-UHFFFAOYSA-N	313.250	3.480	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCC(=O)N(C)C2CCCCC2)c(O)c1	788670557	UHWPBMBUAZCUAX-HNNXBMFYSA-N	318.461	3.451	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1C[C@H](O)Cc2ccccc21	789761930	MOXJROFFFQZLKG-CYBMUJFWSA-N	307.752	3.108	10	20	DGCD	
CCNc1cc(C)ccc1NC(=O)c1ccc(C)c(O)c1O	790976453	QHXGBWDPAJLAJS-UHFFFAOYSA-N	300.358	3.399	10	20	DGCD	
CCC[C@H](NC(=O)c1cc(O)cs1)[C@H](O)c1ccccc1	792683243	RUPHJUZTFCSOLJ-DZGCQCFKSA-N	305.399	3.086	10	20	DGCD	
CCc1ccc([C@H](C)C(=O)NCc2ccc(OC)cc2O)cc1	794373287	IYKRQQHCXZQBNB-ZDUSSCGKSA-N	313.397	3.383	10	20	DGCD	
C[C@@H](NC(=O)C1CC(C)(C)C1)c1ccc(N2CCOCC2)cc1	795592468	LCCUAOIMJUDLBY-CQSZACIVSA-N	316.445	3.137	10	20	DGCD	
C[S@](=O)Cc1ccc(CNCc2cc(Cl)ccc2O)cc1	796526212	KKCKVNLTPVKSHO-NRFANRHFSA-N	323.845	3.214	10	20	DGCD	
COC(=O)Nc1cccc(NC(=O)c2cc(O)cs2)c1C	798122515	YLQOHGZEKYGXLE-UHFFFAOYSA-N	306.343	3.193	10	20	DGCD	
COc1ccc(N2CCN(CCSC(C)C)CC2)cc1F	801521026	NKKIQNAJMRTAMC-UHFFFAOYSA-N	312.454	3.098	10	20	DGCD	
CO[C@@H](CN1CCOc2cc(N(C)C)ccc21)c1ccccc1	801935179	AEIAYIQVCAJKJN-IBGZPJMESA-N	312.413	3.339	10	20	DGCD	
C[C@@H]1[C@H](N2CCCC2)CCN1Cc1cc2c(cc1O)CCCC2	808194783	ZWXHNSVGTQFUBT-DNVCBOLYSA-N	314.473	3.330	10	20	DGCD	
C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(N(C)C)c(F)c1	809701400	XMGSSYZFWYQRKE-GDBMZVCRSA-N	308.441	3.407	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCN(c3ccccc3F)C2)cc1	813792316	WATSOKZSDASAGT-INIZCTEOSA-N	313.420	3.260	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC2CCN(C(=O)C3CC3)CC2)c(O)c1	815557686	ARGWYTNIZOTOJC-CQSZACIVSA-N	316.445	3.061	10	20	DGCD	
CC[C@@H](NC[C@H](N)C(C)C)c1cc(Br)ccc1O	817957365	BESQYXXRPJHMBM-QWHCGFSZSA-N	315.255	3.179	10	20	DGCD	
CCOCc1cc(CN[C@H](C)[C@@H](C(=O)O)C(C)C)ccc1OC	819163511	KINYDQJXTNPAPB-DYVFJYSZSA-N	323.433	3.067	10	20	DGCD	
CCCC[C@H](C)C(=O)N(CC(=O)OCC)Cc1ccccc1O	819699093	XCBGZJOBUGCCRX-AWEZNQCLSA-N	321.417	3.110	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1	831959924	BZZWVNIDSXJYCJ-YJBOKZPZSA-N	312.388	3.403	10	20	DGCD	
NC[C@H]1CCCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	841029646	IVPQEKSIJPAWAN-RNCFNFMXSA-N	303.233	3.306	10	20	DGCD	
N[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1c1ccccc1F	841104521	UDNHQPWMOGQAAY-BLLLJJGKSA-N	320.795	3.111	10	20	DGCD	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(N)cc2)C1	841299873	JGQQNBWTYIVYMT-CQSZACIVSA-N	318.465	3.291	10	20	DGCD	
CCOc1ccc(CNc2ccccc2C[S@@](C)=O)c(O)c1	843404006	OYKZVAPXSQUBLM-JOCHJYFZSA-N	319.426	3.282	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2nc3c(s2)CCC3)c1	845970970	GHBVFZPDWXZXOE-SNVBAGLBSA-N	304.415	3.197	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)cc2)o1	850565666	HEVXHHUPQBTFHM-OAHLLOKOSA-N	314.429	3.400	10	20	DGCD	
CCSC1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	852628787	QIZIVYWEEMMOLJ-UHFFFAOYSA-N	321.490	3.180	10	20	DGCD	
Cc1noc([C@@H]2CCCN2Cc2cc(F)c(N(C)C)cc2F)n1	862366148	LZTQZPQFCYQNLX-AWEZNQCLSA-N	322.359	3.059	10	20	DGCD	
Cc1nc(CNCc2cc(Cl)cc(Cl)c2O)[nH]c1C	862368823	MMNUOOSLKTVUBF-UHFFFAOYSA-N	300.189	3.329	10	20	DGCD	
CS[C@@H]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	877068160	MWZWDUSNWLPKJE-MAUKXSAKSA-N	320.502	3.021	10	20	DGCD	
Cc1cc(O)c([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1C	877856592	FNUODKOPPJBZCK-HNNXBMFYSA-N	304.434	3.264	10	20	DGCD	
COc1ccc(CN(C)CCc2ccccc2F)c(O)c1OC	891783735	LQJBPDCJEDJGJG-UHFFFAOYSA-N	319.376	3.223	10	20	DGCD	
COCCC1(CNCc2cc(C)cc(OC)c2O)CCCC1	894330751	SJSSIAVNGZCKGJ-UHFFFAOYSA-N	307.434	3.396	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCCC23CCOCC3)c1O	894667480	NHEILTLTFYRWCM-MRXNPFEDSA-N	305.418	3.148	10	20	DGCD	
CCOCc1cc(CN[C@H](C)Cc2cccnc2)ccc1OC	897970669	UDWNTKHDIGRTTP-OAHLLOKOSA-N	314.429	3.348	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2cc(N(C)C)ccn2)cc1	903201896	QOFYAMOBDHDTDZ-HNNXBMFYSA-N	312.461	3.455	10	20	DGCD	
CC(C)(CC(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1	910957087	PLQSPQDLVSPXMY-UHFFFAOYSA-N	317.360	3.221	10	20	DGCD	
CCCCCC(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089803703	QYZWNLNPPIHTNR-UHFFFAOYSA-N	319.424	3.444	10	20	DGCD	
COC(=O)[C@H]1C[C@@H](C)CCN1Cc1ccc(N2CCCC2)cc1	1116655631	VBVZRQLDFXKFDE-MAUKXSAKSA-N	316.445	3.060	10	20	DGCD	
O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2)c1ccc(O)c(O)c1	1116819645	XQWRFZYVOFZZHI-RYUDHWBXSA-N	318.369	3.040	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC2(CCOCC2)C1	1204327420	SSQUBAIIPAQOKB-UHFFFAOYSA-N	300.446	3.289	10	20	DGCD	
CCN(CC)c1ccc(CN=c2c(C)c[nH]cc2[N+](=O)[O-])cc1	1322672146	WUKKKGSFXGXGCF-UHFFFAOYSA-N	314.389	3.178	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(O[C@@H]3CCOC3)cc2)cc1	1330817055	GHQQNWGOTQZOCQ-LJQANCHMSA-N	313.397	3.499	10	20	DGCD	
CN(CCc1ccccc1)[C@@H]1CCN(Cc2ccc(N)cc2)C1	1337837601	CWAAGJTYOMEPFN-HXUWFJFHSA-N	309.457	3.018	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCC(=O)N2CCC[C@H](C)C2)c(O)c1	1343914569	BLJGNHDPTAJGLS-BBRMVZONSA-N	318.461	3.308	10	20	DGCD	
CCCN(Cc1ccc(/C=C\C(=O)O)o1)Cc1ccccc1O	1595888234	KWUYUPJUVPPZNT-KTKRTIGZSA-N	315.369	3.495	10	20	DGCD	
COc1cc(O)c(CNc2cc(C)cc(C(=O)O)c2)cc1OC	1599445535	FYBDKUAOBMKDHW-UHFFFAOYSA-N	317.341	3.028	10	20	DGCD	
C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1cc(C(=O)O)ccc1O	1609779371	ZJQMFOKGBKAPGO-JMCQJSRRSA-N	303.280	3.082	10	20	DGCD	
CC1(C)CCC[C@](NCc2ccc3c(c2)CCO3)(C(=O)O)C1	1776553105	WCSYJAFORHIPRJ-GOSISDBHSA-N	303.402	3.135	10	20	DGCD	
COc1ccc(N(Cc2cccc(C(=O)O)n2)CC2CC2)cc1	1777367069	GJQREVUSOXGSDU-UHFFFAOYSA-N	312.369	3.205	10	20	DGCD	
Cc1ccc(NC2=NC(=O)/C(=C\c3cnn(C)c3)S2)c(C)c1	14177856	TUWXPRLAZJOTHX-VGOFMYFVSA-N	312.398	3.119	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2cccc3cccnc23)cc1	54811873	OOTWYUCUFITCBH-UHFFFAOYSA-N	319.408	3.160	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@@H](O)c1ccc(F)cc1	68973685	TVIBVNHXQOFWAS-GOSISDBHSA-N	303.377	3.477	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1	78982493	CLAOYIVMIUVQAZ-UHFFFAOYSA-N	300.377	3.141	10	20	DGCD	
CCC[C@H](O)CN[C@H](CC)c1cc(Br)ccc1O	119239924	YVZMIYVSGYAZCR-WCQYABFASA-N	316.239	3.356	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)c2cnn(C)c2)c(C)n1-c1ccccc1	124860808	KNCPFXDUKRRGLM-CQSZACIVSA-N	322.412	3.319	10	20	DGCD	
CN(Cc1ccc(C(=O)O)cc1)Cc1c(O)cccc1Cl	128807332	NRRRPBVWFPBNET-UHFFFAOYSA-N	305.761	3.376	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(Br)cc1F	133767883	ZEPCMWBPYBQTOR-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
Cc1nn(C)cc1CN(C)Cc1ccc(N2CCCCC2)cc1	156479391	CMZJXBJNHJLNBS-UHFFFAOYSA-N	312.461	3.351	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)CCC3CCC3)CC2)cc1	176381191	KCNDIGVNYHLYRN-UHFFFAOYSA-N	316.445	3.361	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H]1CCCN(C(C)C)C1=O	177027145	SWEYVQHCXWGGOT-MRXNPFEDSA-N	304.434	3.004	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1	180717849	RWRJCFTWODZKIQ-PBHICJAKSA-N	317.385	3.082	10	20	DGCD	
C[C@@H](NC[C@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2	184997701	VMYULVXJILNGIL-HUUCEWRRSA-N	314.473	3.406	10	20	DGCD	
CCO[C@H]1C[C@H](N[C@@H](C)c2cc(OC)ccc2O)C12CCC2	185551424	XEDYHEJUJUTLFK-ZLIFDBKOSA-N	305.418	3.399	10	20	DGCD	
CC[C@@H](NC1CCC(C(=O)NC)CC1)c1ccc(N(C)C)cc1	269061963	XZDHEEWSMKBYAK-LEOMRAHMSA-N	317.477	3.098	10	20	DGCD	
Nc1ccc(CC(=O)N(CCc2ccc(F)cc2)C2CC2)cc1	269225011	QAMLKZVEWUFZPS-UHFFFAOYSA-N	312.388	3.184	10	20	DGCD	
Cc1nccn1CCCN(Cc1ccc(N(C)C)cc1)C1CC1	270706115	YXBFHHBNQBHKIK-UHFFFAOYSA-N	312.461	3.312	10	20	DGCD	
CC(C)[C@@H](CCO)N[C@@H](C)c1cc(Br)ccc1O	273606646	UFXLIVDFNKWJNJ-GXFFZTMASA-N	316.239	3.212	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCCCCC[C@@H]2C(=O)O)cc1	277315531	NPNWPJANMFTZJD-DLBZAZTESA-N	304.434	3.266	10	20	DGCD	
Cc1ccc([C@@H](C)NCCOCC(F)(F)C(F)F)c(O)c1	278562959	WVBLIIAELOTYKH-SNVBAGLBSA-N	309.303	3.268	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@@H](C)c1c(C)cc(C)cc1O	285200497	OBLKYHLAZNBLLT-HNNXBMFYSA-N	306.450	3.308	10	20	DGCD	
C[C@H]1CC=CC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	341345780	AYNOAXULRLYTSY-ZFWWWQNUSA-N	300.402	3.080	10	20	DGCD	
Cc1c(CNC(=O)c2cc(C(C)C)[nH]n2)n(C)c2ccccc12	352128332	CMYRTHBNNAJQQN-UHFFFAOYSA-N	310.401	3.263	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1	363859964	SVYLAVFDNZMQOT-OUENDJJVSA-N	305.418	3.255	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c(O)c1O	378565403	JNPOWFSPDIXBFA-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
C/C(=C/c1ccccc1Cl)C(=O)NCc1ccc(O)c(O)c1	588401157	PKADOPHQEWBVBU-FLIBITNWSA-N	317.772	3.471	10	20	DGCD	
COc1c(C)ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C	588406340	RWQIAQJMJRTFIX-TWGQIWQCSA-N	313.353	3.375	10	20	DGCD	
CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(Br)cc1O	691680197	UDOBWZRUXYYTMU-GXFFZTMASA-N	314.223	3.154	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1	739625560	QEPSCEDWNRKQTA-IUCKJTJTSA-N	316.357	3.462	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(C)cn2)cc1F	753292806	FVFHMQKDMJIICB-UHFFFAOYSA-N	315.392	3.305	10	20	DGCD	
CCOc1ccccc1OCCN(C)c1ccc2c(c1)OCO2	756654104	DYVGHTUTAZKSDI-UHFFFAOYSA-N	315.369	3.329	10	20	DGCD	
COc1ccc(N(C)Cc2cnn(C(C)(C)C)c2)cc1OC	761220420	CKBYURUTGGGLLX-UHFFFAOYSA-N	303.406	3.292	10	20	DGCD	
C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C(F)(F)F)O1	769495441	FTMWOYNESIEADB-PELKAZGASA-N	309.715	3.197	10	20	DGCD	
Cc1ccccc1CN(C)Cc1ccc(N2CCN(C)CC2)cc1	775642520	LOAKCYHLHPLGJE-UHFFFAOYSA-N	323.484	3.379	10	20	DGCD	
CC1CCN(CCCNCc2c(O)ccc(Cl)c2F)CC1	790946664	FVFBOYRHTJPLCF-UHFFFAOYSA-N	314.832	3.396	10	20	DGCD	
O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(O)c1O	794279790	KIIJSFBJMXFVPZ-GXTWGEPZSA-N	315.344	3.303	10	20	DGCD	
COc1ccc(CNc2ncncc2-c2ccccc2)c(O)c1	795284913	MONYJTCZKFVUQU-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cccc(O)c1O	799037867	WDDXFKIZDOURJZ-UHFFFAOYSA-N	323.352	3.059	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cn(C(C)C)nn2)cc1	809540892	LUENWKDHGWQDKL-UHFFFAOYSA-N	315.465	3.337	10	20	DGCD	
COC(=O)c1cccc(CNCc2c(O)cccc2Cl)c1	809730174	CVPNEDATBMUUKI-UHFFFAOYSA-N	305.761	3.122	10	20	DGCD	
CSC1(CN[C@@H](C)c2ccc(C)cc2O)CCN(C)CC1	810252144	KBHSDMWRGQLEHL-AWEZNQCLSA-N	308.491	3.179	10	20	DGCD	
CCc1nc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1	816180706	YZLMZRBDTKEVFJ-NSHDSACASA-N	301.390	3.102	10	20	DGCD	
CC[C@H](Cc1cccc(C)c1)C(=O)NCc1ccc(O)c(O)c1	821070849	OQDCGVWQZQOZOM-MRXNPFEDSA-N	313.397	3.291	10	20	DGCD	
Cc1cc(O)c(CN2CCC(n3ccnc3)CC2)cc1Cl	824639432	LLODMCGZEKOFIG-UHFFFAOYSA-N	305.809	3.388	10	20	DGCD	
CC[C@H]1CCC[C@H]1CNCc1ccc([N+](=O)[O-])c(OC)c1O	824653767	HHYWCALRKJLXMM-RYUDHWBXSA-N	308.378	3.225	10	20	DGCD	
CCC(O)(CC)CCNCc1ccc(Br)cc1O	825667442	YJUBDEVADKYMQN-UHFFFAOYSA-N	316.239	3.186	10	20	DGCD	
C/C(=C/C(=O)N1C[C@H](C)Oc2ccc(C)cc21)c1cnccn1	826819964	ZODWJJLMOOGCQC-XXYUJHKVSA-N	309.369	3.002	10	20	DGCD	
CCc1cccc(CNCc2c(OC)cccc2OC)c1O	826920681	KFWUXIYUSFIYFR-UHFFFAOYSA-N	301.386	3.262	10	20	DGCD	
CCCCCCO[C@@H](C)C(=O)NCc1cccc(OC)c1O	839633855	XBJRJPPQHANIHY-ZDUSSCGKSA-N	309.406	3.002	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@@H]2CCN[C@@H](C)C2)cc1	841004141	MQZJWIZUXTXGJJ-FUHWJXTLSA-N	303.494	3.353	10	20	DGCD	
C[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(Cl)cc1O	841751999	PWDWZITWMNUHAK-NHYWBVRUSA-N	323.795	3.439	10	20	DGCD	
CCc1oc(CNCc2cc(Cl)ccc2O)cc1C(=O)OC	846055449	METUCEBGPMBYKB-UHFFFAOYSA-N	323.776	3.277	10	20	DGCD	
COC[C@H](N[C@H](C)c1cccc(OC)c1O)c1ccc(C)o1	846145584	LSIDBYYFJDMXRN-OCCSQVGLSA-N	305.374	3.341	10	20	DGCD	
Cc1cc(CN2CCC[C@H]2CC(=O)O)ccc1N1CCCCC1	846274214	JDGDKUZJPBNHRK-KRWDZBQOSA-N	316.445	3.424	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H](OC3CCC3)C2)c1O	848497518	MMHJWUZUQBTUIW-MRXNPFEDSA-N	305.418	3.243	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2COc3cc(F)ccc3C2)c1	850536093	BREUQXCGFAPQEO-SMDDNHRTSA-N	317.360	3.194	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN(CC2CC2)C1)c1cc(F)cc(F)c1O	853242057	ZUPRWVGLYZETHW-TZMCWYRMSA-N	324.415	3.443	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2cnc(C)s2)c1	868934291	JGQDCMVFFCIWBU-SNVBAGLBSA-N	305.403	3.026	10	20	DGCD	
CCCOc1ccc(CN[C@H](CCSC)C(=O)O)cc1C	871871443	FAUQNERTOXEBDD-CQSZACIVSA-N	311.447	3.080	10	20	DGCD	
CCCOc1ccc(CNC2(COC)CCOCC2)cc1C	873128350	LSYONSVPEUEARV-UHFFFAOYSA-N	307.434	3.069	10	20	DGCD	
CO[C@@H](C)[C@@H](C)NCc1cc(Cl)cc(Br)c1O	883122744	YKGHINVSVPVUJI-SFYZADRCSA-N	322.630	3.321	10	20	DGCD	
C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1c(O)cccc1F	886550113	SKELGYGHIPOBAJ-WSVYEEACSA-N	307.390	3.120	10	20	DGCD	
CC[C@H](NCc1ccc(OC)c(OC)c1O)c1ccncc1	893031958	GHTSDEMMESWCAV-AWEZNQCLSA-N	302.374	3.045	10	20	DGCD	
COc1cccc([C@H](C)NC[C@](C)(O)c2cccc(F)c2)c1O	903310294	PQMODSVJHOHDFS-SGTLLEGYSA-N	319.376	3.098	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C(=O)O	904237769	TVMDKBJAZSYSSA-NEPJUHHUSA-N	310.825	3.139	10	20	DGCD	
c1cc2c(cc1CN[C@H]1CCCC13CCOCC3)CCCO2	922102679	NYMVJKXZIRCTNV-SFHVURJKSA-N	301.430	3.451	10	20	DGCD	
C/C=C(\C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@H]1C	986131448	DBTGGBXBCOKTKA-PNWPSHNFSA-N	316.445	3.049	10	20	DGCD	
Cc1cccc2c1C(=O)N[C@H](c1ccc(N3CCCC3)cc1)N2	1317901753	QXGSWMBQEFDNDQ-GOSISDBHSA-N	307.397	3.449	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CNc2ccccc21	1341399703	UPFDYSGQCAVZPS-MRXNPFEDSA-N	310.397	3.340	10	20	DGCD	
CCC(CC)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1	1754508627	UFNZILRCKFTCEG-UHFFFAOYSA-N	318.461	3.178	10	20	DGCD	
CC1(C(=O)O)CC(NCc2cc(Cl)cc(Cl)c2O)C1	1776496798	OAOJSHUNQCGWDM-UHFFFAOYSA-N	304.173	3.042	10	20	DGCD	
C[C@@H]1CC[C@](NCc2cc(Cl)cc(Cl)c2O)(C(=O)O)C1	1776628120	SHHSAAYJPSDGLP-XLKFXECMSA-N	318.200	3.432	10	20	DGCD	
CCN1CCc2cc(CNC3(C(=O)O)CCC(C)CC3)ccc21	1776877609	YVOPAHSPKWWJDE-UHFFFAOYSA-N	316.445	3.192	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H](c2ccccc2)C(C)C)c1	173580857	CENMJYPAZXINRS-GOSISDBHSA-N	313.397	3.457	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(C2CC2)on1	28333347	AAAPEAAMVXFYQD-UHFFFAOYSA-N	311.385	3.082	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCc1nccs1	66702113	NJFCDJHLYYADKA-UHFFFAOYSA-N	319.430	3.013	10	20	DGCD	
CC[C@H](C)[C@@](C)(O)CNCc1cccc(Br)c1O	304033563	GYJYEMAGRXSAEJ-HZMBPMFUSA-N	316.239	3.041	10	20	DGCD	
CC(C)(NCc1cc2c(cc1O)OCO2)c1cccc(F)c1	124674970	OKWHRAUWPGSNAL-UHFFFAOYSA-N	303.333	3.285	10	20	DGCD	
COC(=O)c1coc(CN(C)c2ccc(OC)c(Cl)c2)c1	121878554	NHOMZWHZFJCVSW-UHFFFAOYSA-N	309.749	3.365	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3ncccc3F)C2)c1	185686593	LDKLFHWNESRZHN-ZIAGYGMSSA-N	315.392	3.164	10	20	DGCD	
CCC[C@@](C)(O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	125514050	LIEUPOILEQGFBW-LJQANCHMSA-N	318.461	3.090	10	20	DGCD	
Cc1ncc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c(C)n1	122435632	VJHGBKBINJVUHG-LLVKDONJSA-N	302.397	3.149	10	20	DGCD	
C[C@@H](C[S@@](C)=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	186541239	VYZVAWLCCSCRKI-QQJLPTOTSA-N	310.246	3.117	10	20	DGCD	
COc1cc(CN[C@H](C)c2ccccc2O)cc(OC)c1OC	192936429	ZEWJPXGERDJLBZ-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCSC1)c1cc(Cl)c(Cl)cc1O	192927470	MNBXYAFRWKAIPN-OQPBUACISA-N	322.257	3.218	10	20	DGCD	
COc1ccc([C@H](O)CN[C@H](C)c2ccc(F)c(F)c2O)cc1	191194189	AHRQGJOESOYABK-MEBBXXQBSA-N	323.339	3.063	10	20	DGCD	
C[C@@H](NC[C@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1O	278479058	OOZFMGWXYZYGDI-DGCLKSJQSA-N	310.388	3.338	10	20	DGCD	
CCOCc1cc(CNCC2([C@@H](O)C(C)C)CC2)ccc1OC	272107438	WYZDLMKFEALJTH-SFHVURJKSA-N	321.461	3.118	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)Cc1ncc(Cl)n1C	272582618	GXNMTTNKYRSRIP-UHFFFAOYSA-N	300.189	3.065	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC23CCC(CC2)C3)cc1F	374951302	KGNWYAXOZTUSRR-UHFFFAOYSA-N	305.397	3.024	10	20	DGCD	
Cc1c(CNC(=O)[C@H](C)OCC(C)C)n(C)c2ccccc12	548100235	DZMICNBCNNZQHE-AWEZNQCLSA-N	302.418	3.164	10	20	DGCD	
Cc1cnccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	274410208	GSAUKGOLLDKNRP-UHFFFAOYSA-N	309.413	3.261	10	20	DGCD	
CC[C@@H](NCC1(SC)CCOCC1)c1ccc(F)cc1O	286306645	XHQQMAKATBICSB-CQSZACIVSA-N	313.438	3.484	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/c1cccnc1	299324445	DDVYKUXDITUXKG-FMIVXFBMSA-N	309.413	3.210	10	20	DGCD	
Cc1cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1N(C)C	293815578	ONVSRODZTSLWJH-DNVCBOLYSA-N	312.461	3.341	10	20	DGCD	
Cc1ncsc1CCNCc1ccc(N2CCCC2)cc1	391235432	MVLQYRPHQBFWKH-UHFFFAOYSA-N	301.459	3.384	10	20	DGCD	
CC[C@H](N[C@@H](C)C[S@@](C)=O)c1ccc(C(F)(F)F)cc1O	810234469	DKGCDIQLSVNZKL-BJWRNBNPSA-N	323.380	3.219	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[C@@H](OC)C1	814640629	MRSODCQPKXBDNC-FUHWJXTLSA-N	318.461	3.306	10	20	DGCD	
C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1O	816594944	UDHVTCIPOQMTHF-PWSUYJOCSA-N	301.789	3.310	10	20	DGCD	
Cc1ccc(C(=O)NC[C@@H](c2ccccc2)C2CC2)c(O)c1O	817090115	ZYMXQANTCCIZLM-INIZCTEOSA-N	311.381	3.330	10	20	DGCD	
COc1ccc2c(c1F)CC[C@H]2NCCc1ccc(N)cc1	817956711	BAJCFNUKXRFDJB-MRXNPFEDSA-N	300.377	3.236	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)NCC(C)(C)C	729526327	YGMKRTHBPCVREH-UHFFFAOYSA-N	317.458	3.342	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N[C@H]2CCCC[C@H]2C)cc1	739926603	IJSMXBSOGKRPSI-PBHICJAKSA-N	304.434	3.216	10	20	DGCD	
CC[C@H](NC[C@@H]1CCN1C)c1cc(Cl)cc(Cl)c1O	903318791	SYOVOOOZQGTZJS-GWCFXTLKSA-N	303.233	3.444	10	20	DGCD	
C[C@H](NCc1ccc(CCO)cc1)c1cc(Cl)ccc1O	903404293	ZJXCRDOCAIDAOQ-LBPRGKRZSA-N	305.805	3.431	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CCO)c2ccccc2F)cc1	830354995	BBIBTTKPLRUEKI-IBGZPJMESA-N	316.420	3.495	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)NCc2ccccc2C)cc1	739923229	ZSZIAWRYPFJEHY-UHFFFAOYSA-N	312.413	3.146	10	20	DGCD	
Fc1cc(CN[C@H]2CC[C@@H]2C2CC2)cc(F)c1N1CCOCC1	839145187	NJYXGUGIVUTJOS-PBHICJAKSA-N	322.399	3.080	10	20	DGCD	
OC[C@@H](CN[C@H]1CCc2cccc(O)c21)c1ccc(Cl)cc1	834802982	HPUAYENINLTAJJ-ZBFHGGJFSA-N	317.816	3.399	10	20	DGCD	
C[C@H](N[C@H](C)c1ccn(C)n1)c1ccc(Br)cc1O	840817467	TXABJUNBEIZNFE-VHSXEESVSA-N	324.222	3.300	10	20	DGCD	
COc1cc(Br)cc(CN[C@H]2CC2(C)C)c1O	840956139	DVCVORBCWSDNJC-NSHDSACASA-N	300.196	3.051	10	20	DGCD	
COc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)c(F)c2)c1	742398683	YDFLFAQOVWHLSJ-UHFFFAOYSA-N	319.336	3.421	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCC[C@]1(O)C[C@H]2CC[C@H]1C2	840948123	QRSFRZWQFRGCKM-IEZWGBDMSA-N	302.462	3.092	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@H](C)CCCCN)c1	841081477	WMFJVGPQGFUOCM-LLVKDONJSA-N	315.255	3.070	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](C)[C@@](C)(OC)C2CC2)c1O	840960914	NUFOFFIVFBKRLX-QLJPJBMISA-N	313.825	3.347	10	20	DGCD	
CC(C)CCOCCN(Cc1ccccc1O)C[C@H]1CCCO1	755943559	LJPGHLNNFJTVEA-GOSISDBHSA-N	321.461	3.436	10	20	DGCD	
c1cc2c(cc1CNCc1nc3c(s1)CCC3)CCCO2	922473871	ZNJZMKYJGBOQAY-UHFFFAOYSA-N	300.427	3.247	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C(C)C)C(F)(F)F)c1	858384405	NWXUXXPKJCSBGT-LBPRGKRZSA-N	304.312	3.087	10	20	DGCD	
Cc1cnc(CNc2ccccc2OC[C@@H]2CCCCO2)[nH]1	850209117	NOGGARRRZQREFI-AWEZNQCLSA-N	301.390	3.278	10	20	DGCD	
CC[C@H](NCc1cc(Cl)cc(OC)c1O)C1CCOCC1	761215459	LURVZCXHCKLLJJ-AWEZNQCLSA-N	313.825	3.349	10	20	DGCD	
CCN(CCC1CC1)Cc1ccc(N2CCOCC2)c(F)c1	761227049	ZLKGNQNRBCCBDS-UHFFFAOYSA-N	306.425	3.284	10	20	DGCD	
C[C@H](NC(=O)N[C@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1	773417696	LLOGBMMLQSERJN-ZFWWWQNUSA-N	319.449	3.070	10	20	DGCD	
CC[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Cl)ccc1O	775526087	IXJXSBXHNBXLSR-TZMCWYRMSA-N	324.852	3.486	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1	877476483	FZIXITUIGSEABM-IEBWSBKVSA-N	315.388	3.096	10	20	DGCD	
Cc1cccc(O)c1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21	877567265	HZGJJHKPAUTRNM-SJORKVTESA-N	301.430	3.482	10	20	DGCD	
COc1ccc(CN[C@@H](C)CCSC)cc1Cn1cccn1	873055289	FSZJNSSJEDHQAP-AWEZNQCLSA-N	319.474	3.171	10	20	DGCD	
C[C@H](NC(=O)NCc1cccc(O)c1)c1ccc(N(C)C)cc1	773364643	RSOYTCWIOBKGEJ-ZDUSSCGKSA-N	313.401	3.019	10	20	DGCD	
CCCCCN(CCCOC)Cc1cc2c(cc1O)OCO2	779884296	KALOZBGCAHZTMO-UHFFFAOYSA-N	309.406	3.150	10	20	DGCD	
COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2c(O)cccc2F)CC1	886594556	OYOTYWVEBNAOGQ-NEPJUHHUSA-N	324.396	3.049	10	20	DGCD	
Oc1c(Cl)cccc1CNCCc1ccc2c[nH]nc2c1	793607996	GXOBRIPJMOFKHH-UHFFFAOYSA-N	301.777	3.254	10	20	DGCD	
COc1ccc(CNC(=O)/C=C(/C)c2ccc(F)cc2)c(O)c1	794381003	HNLSFFMGQKZFBH-XFXZXTDPSA-N	315.344	3.260	10	20	DGCD	
COc1ccc(CNC(=O)Cc2c[nH]c3cccc(C)c23)c(O)c1	794379397	QXUFFJPINVVSEE-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
CCN1CC[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)C[C@@H]1C	792164631	AVSOHJBHSCFREJ-NWDGAFQWSA-N	314.832	3.489	10	20	DGCD	
Cc1cc(Br)cc(CN2CCO[C@@H](C)[C@H]2C)c1O	245855386	NHSBITOGBUUBSP-MNOVXSKESA-N	314.223	3.072	10	20	DGCD	
Cn1cc([C@H](N[C@H]2CCc3cccc(O)c32)c2ccccc2)cn1	1324601141	HNFRJEYMBKUWKY-FXAWDEMLSA-N	319.408	3.492	10	20	DGCD	
C[C@]1(NCc2ccc(N3CCCC3)cc2)CCO[C@H]1C1CC1	1254572780	CNZWJWOWAJKIFO-OALUTQOASA-N	300.446	3.334	10	20	DGCD	
CSC1(CNCc2ccc(Br)cc2O)CC1	691468484	UGWSBRFLNVRQCL-UHFFFAOYSA-N	302.237	3.140	10	20	DGCD	
COCc1cc(NCc2cc(C)c(C)cc2O)cc(C(=O)O)c1	1599289603	IUUFZNUUPHHKNL-UHFFFAOYSA-N	315.369	3.466	10	20	DGCD	
CCN(CC)c1ccc(CNc2ncccc2C(=O)O)cc1F	1776861420	AOLLYCMPOGXNCV-UHFFFAOYSA-N	317.364	3.377	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)[C@H]2CC=CCC2)cc1	1776860505	MBRHGXQHFKKGOU-WMZOPIPTSA-N	316.445	3.432	10	20	DGCD	
CC[C@@H](N[C@@H](C)COC)c1cc(Br)ccc1O	19904825	QMQMBBCPZUBVPU-JOYOIKCWSA-N	302.212	3.230	10	20	DGCD	
Cc1cccc(CNCC[C@H](C)NC(=O)OC(C)(C)C)c1O	224803471	SRZQNAFTMVROCP-ZDUSSCGKSA-N	308.422	3.094	10	20	DGCD	
CN(CC1CCCCC1)C(=O)NCc1ccc(N(C)C)cc1	31730031	AEIFESJSMDNMRC-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(N(C)C)cc1	115280753	GYDSXRYMLPPOKA-UHFFFAOYSA-N	311.429	3.057	10	20	DGCD	
COc1ccc(N2CCCN(Cc3cccs3)CC2)cc1	128301170	MNSRWWPIZAZAAQ-UHFFFAOYSA-N	302.443	3.469	10	20	DGCD	
CN(C)c1ccc(CNC[C@](C)(O)c2ccc(F)cc2)cc1F	157857177	ARAQLWIIPSFBIM-SFHVURJKSA-N	320.383	3.028	10	20	DGCD	
COC(=O)c1ccc(CN(C)Cc2cc(C)cc(C)c2O)cc1	178853366	IJDWWTQREPWSMM-UHFFFAOYSA-N	313.397	3.428	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1OC(F)F	180618550	PKCYOCYWQOXJLO-SOFGYWHQSA-N	321.279	3.351	10	20	DGCD	
C[C@H](NC[C@]1(O)CCc2ccccc21)c1cc(F)ccc1O	186166101	FLUYDYBYOUISHH-KPZWWZAWSA-N	301.361	3.016	10	20	DGCD	
Cn1c(C2CC2)nc2cc(NC(=O)c3cccc(O)c3O)ccc21	187212292	YDHNFZSGHUWQQA-UHFFFAOYSA-N	323.352	3.114	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCN2CCCC[C@H]2C)c1	192872396	PBBMCDCJHNLBLE-CABCVRRESA-N	306.450	3.316	10	20	DGCD	
O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(Cl)ccc1O	250767699	SZTXMRWUXIJTJZ-GDLCADMTSA-N	309.793	3.263	10	20	DGCD	
O=C(NC1CCCCC1)C1CCN(Cc2ccccc2O)CC1	271250933	FDMYUFSWTDLMOE-UHFFFAOYSA-N	316.445	3.053	10	20	DGCD	
C[C@@H](NCc1ncnn1-c1ccccc1)c1ccc(N(C)C)cc1	279497735	MGGGYPDSSMWGEQ-OAHLLOKOSA-N	321.428	3.184	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2	282503054	NQADUCKOMUGQHC-BFYDXBDKSA-N	303.402	3.088	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)CCCCN)c(C)n1-c1ccccc1	292826446	BGFPAEKXHXXWCL-AWEZNQCLSA-N	313.445	3.341	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc(F)cc1O)c1ccc2[nH]c(=O)[nH]c2c1	320570286	QCPPYHQSWBHYGE-NXEZZACHSA-N	315.348	3.113	10	20	DGCD	
C[C@H](Nc1cccc(N2CCNC2=O)c1)c1cc(F)ccc1O	321873089	OSSKALKSIJNVHT-NSHDSACASA-N	315.348	3.234	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H](N3CCCC3)C2)c1O	368624037	KTXOMHKFMCGBPH-OAHLLOKOSA-N	324.852	3.114	10	20	DGCD	
CC[C@H](N[C@H]1CCc2nc(C)ncc2C1)c1ccc(C)cc1O	375647665	FKQXDQAUKITCCJ-RDJZCZTQSA-N	311.429	3.397	10	20	DGCD	
CSc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1	588403669	UUBTVXVPQJOYJH-CLFYSBASSA-N	301.367	3.472	10	20	DGCD	
CC[C@@H](CSC)NCc1ccc(Br)cc1O	691468517	USAAEZXVKYXSCI-NSHDSACASA-N	304.253	3.386	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN[C@@H]1CCCSC1	715786954	BYHZFTWEOLPSPU-SNVBAGLBSA-N	320.227	3.279	10	20	DGCD	
Cc1ccc(C)c(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1	727993121	IJVOCSOWDZYOEG-UHFFFAOYSA-N	314.404	3.367	10	20	DGCD	
Cc1cccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1	745984087	LYZJEEMQKIDLNU-SFHVURJKSA-N	312.413	3.277	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](CC(=O)O)c2ccccc2)cc1	756311970	YPSGYEDQLHCSDB-KRWDZBQOSA-N	312.413	3.101	10	20	DGCD	
C[C@H]1C[C@@H](NCCCc2cnn(C)c2)c2c(O)ccc(F)c21	756525463	BTVFLBCGJDALPP-SMDDNHRTSA-N	303.381	3.036	10	20	DGCD	
C[C@H](O)C[C@H](C)N[C@H](C)c1cc(Br)cc(F)c1O	757659035	XGWXQKNRNPXZSQ-XHNCKOQMSA-N	320.202	3.104	10	20	DGCD	
C[C@H](N[C@H](CO)CC(F)F)c1ccc(N2CCCCC2)cc1	760035568	BAXSQMHUTMHSKL-ZFWWWQNUSA-N	312.404	3.344	10	20	DGCD	
C[C@@H](N[C@H](C)c1nc(C2CC2)no1)c1ccc(N(C)C)cc1	774484997	UHXWWHRAEBGKSI-VXGBXAGGSA-N	300.406	3.425	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1	775143836	CDRXSVDZGRJDNT-NOZJJQNGSA-N	323.742	3.181	10	20	DGCD	
CC[C@@H](N[C@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O	775524244	RAJWRXFUEKMTRR-GXSJLCMTSA-N	311.731	3.400	10	20	DGCD	
CCCCCN(CCO)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776245745	NNEKUGUGDWHIMS-HNNXBMFYSA-N	321.465	3.008	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](F)Cc1ccccc1	777981602	NXMUNQYRXNQYTA-GOSISDBHSA-N	314.404	3.258	10	20	DGCD	
C[C@@H]1CC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1	780360687	ZWOTWMDSKQATKA-CJNGLKHVSA-N	301.434	3.057	10	20	DGCD	
CO[C@H](C)CCNCc1ccc(N(C)C)cc1C(F)(F)F	792952449	ZMPMECFUAFXPJE-LLVKDONJSA-N	304.356	3.286	10	20	DGCD	
CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N(CC)CC)cc1	793107709	PVOPVKJLTLAIAP-RHSMWYFYSA-N	306.450	3.210	10	20	DGCD	
CCOc1ccc(CNc2cn(Cc3ccccc3)nn2)c(O)c1	795805505	HOPLWYFWTMQWEI-UHFFFAOYSA-N	324.384	3.043	10	20	DGCD	
COC(=O)c1cnoc1CN(CC(C)C)c1ccc(OC)cc1	795950627	LEAWSKRIAFCTJZ-UHFFFAOYSA-N	318.373	3.132	10	20	DGCD	
C[C@@H](NCC1CCN(C)CC1)c1cccc(C(F)(F)F)c1O	798182349	HCQQGVMWXDBLIJ-LLVKDONJSA-N	316.367	3.403	10	20	DGCD	
Oc1ccc2c(c1)OCCN(Cc1cc(Cl)ccc1O)C2	809704624	DGIBRSPCLDMPNO-UHFFFAOYSA-N	305.761	3.146	10	20	DGCD	
CN1CC[C@H]2[C@@H](CCCN2Cc2cc(Cl)cc(F)c2O)C1	809767724	SBDLNVKUHMTCTE-NHYWBVRUSA-N	312.816	3.101	10	20	DGCD	
COCC1(CCN[C@@H](C)c2cc(C(=O)OC)ccc2O)CCC1	815642091	RJUDMKQRZMPFLU-ZDUSSCGKSA-N	321.417	3.036	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN[C@@H]1COc2ccccc2C1	816541834	VWXDNMFUVCYWCY-LBPRGKRZSA-N	307.752	3.278	10	20	DGCD	
CCN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H](C)CO	816653617	AZJHBPWYZBIXBQ-KRWDZBQOSA-N	324.468	3.452	10	20	DGCD	
Cc1ncc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)c(C)n1	817762085	RXBWUNJTUCGLJL-UHFFFAOYSA-N	309.369	3.421	10	20	DGCD	
CCN[C@H](C)CN[C@H](CC)c1cc(Br)ccc1O	817972015	JFTCEYRVLNORGP-ZWNOBZJWSA-N	315.255	3.193	10	20	DGCD	
CC(C)[C@H](C(=O)O)[C@@H](C)NCc1c(O)ccc(Cl)c1F	819164973	YFKYWLWMOJMYBW-PELKAZGASA-N	303.761	3.020	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3ccc(F)cn3)C2)cc1	819934878	NCSUKWOKPJIMAG-CYBMUJFWSA-N	301.365	3.168	10	20	DGCD	
C/C(=C/C(=O)N1CC(C)(C)Oc2ccccc21)c1cnccn1	827276790	PTVNDQRWFSSKMV-RAXLEYEMSA-N	309.369	3.084	10	20	DGCD	
CC(C)(C)C[C@@H](NC(=O)Cc1ccc(N)cc1)C(F)(F)F	831529009	ZEDXZTYISUZHDL-GFCCVEGCSA-N	302.340	3.295	10	20	DGCD	
C[C@@H](NC[C@H](O)C1CCC1)c1ccc(N2CCCCC2)cc1	834906422	QPBHQLGDMGEDKQ-BEFAXECRSA-N	302.462	3.489	10	20	DGCD	
COc1ccc(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c(O)c1	839748583	UGJZZXWBMNTAKU-APWZRJJASA-N	311.381	3.211	10	20	DGCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc(Cl)c2ccccc2c1O	840838697	RSAPZEFQXAQYDV-OAHLLOKOSA-N	318.804	3.428	10	20	DGCD	
C[C@@H](NC(=O)Nc1cccc(CN)c1)c1ccc(N(C)C)cc1	841304162	NDHGPBBSKBIJFC-CYBMUJFWSA-N	312.417	3.094	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@@H]2CCS[C@@H]2C)c1	842778893	ONDFGJYDJFBRCC-BXKDBHETSA-N	316.264	3.447	10	20	DGCD	
C[C@H]1C[C@@H](Nc2ccc3c(c2)nnn3C)c2c(O)ccc(F)c21	842900490	IYGYDIGIVMONDH-TVQRCGJNSA-N	312.348	3.473	10	20	DGCD	
C[C@H](N)[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	843046675	YWAADUWUUYTZKT-LPHOPBHVSA-N	301.478	3.379	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1O	846161360	YAXRVQFVVYWUMS-WPPQDWHVSA-N	317.429	3.399	10	20	DGCD	
COc1ccc(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)c(O)c1	846951539	WRFQOFZLDZGCJE-HUUCEWRRSA-N	303.402	3.233	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C[C@@H](C)O)C2CC2)cc1	848361698	SNGIKOLOVPFHJG-OAHLLOKOSA-N	312.413	3.080	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2CCCN3CCCC[C@H]23)c1O	848568261	CFTVSVIUGPYGNU-NUEKZKHPSA-N	304.434	3.068	10	20	DGCD	
C[C@H](NC[C@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O	850545594	QILOCBJKGJJWDP-CMPLNLGQSA-N	317.351	3.470	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cnn(CCF)c1	861486108	CTZYRVLVYWKHRG-UHFFFAOYSA-N	320.368	3.002	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2C=CCC2)c1	862173237	XSZWQXVKYSICHY-KRWDZBQOSA-N	308.381	3.355	10	20	DGCD	
CCOc1ccc(CN2CCOc3cc(F)ccc3C2)c(O)c1	862551096	RIJNTMAGZURKQC-UHFFFAOYSA-N	317.360	3.325	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C(C)(C)Oc2ccc(F)cc2)c1	862759618	IQWWNCASLJYHLF-UHFFFAOYSA-N	317.360	3.314	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc(Cl)nnc1O	872572945	QTTCFHDFQFZPRG-NSHDSACASA-N	320.824	3.253	10	20	DGCD	
C[C@@H](NC1CCN(CC(F)(F)F)CC1)c1c(O)cccc1F	886520717	LABAPVGJZYFMQJ-SNVBAGLBSA-N	320.330	3.209	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@@H](C)c2c(O)cccc2F)cc1	886543492	PSIXCZJEJUFXLB-BLLLJJGKSA-N	319.376	3.314	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC(NC2CCC2)CC1	897982974	TXXKOULAIUSKLF-UHFFFAOYSA-N	312.816	3.291	10	20	DGCD	
CC(C)OC(=O)C(C)(C)NCc1cc(Cl)cc(F)c1O	898505567	BKMLVMNLOBFTGS-UHFFFAOYSA-N	303.761	3.005	10	20	DGCD	
CCN(CC)c1ccc(CN(C[C@@H](C)C(=O)O)C2CC2)cc1F	901992387	HYJREYIAGROYOT-CYBMUJFWSA-N	322.424	3.357	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc2nc[nH]c2c1	905071646	UOJVVABTMWSWSV-ZROIWOOFSA-N	312.398	3.019	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)c2cccnc2)c(C)n1-c1ccccn1	916121947	HGAKLPISPBJFFV-CQSZACIVSA-N	320.396	3.375	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H](c1ccccn1)C1CC1	925535578	ZGKBXMQBFICJDR-QGZVFWFLSA-N	311.385	3.080	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1cn(C)cn1	926596565	PWLXUVLBTTXQBP-GJZGRUSLSA-N	300.450	3.076	10	20	DGCD	
C[C@H](NC(=O)CCC1(C)CC1)c1ccc(N2CCOCC2)cc1	930745196	SRBIWCSXFIFNNW-HNNXBMFYSA-N	316.445	3.281	10	20	DGCD	
COc1ccc(O)c(CN2CCC(Nc3ccccc3)CC2)c1	1116484559	YVGJQBSPYFYESJ-UHFFFAOYSA-N	312.413	3.477	10	20	DGCD	
CN(C)[C@@H]1CCCC[C@H]1NCc1cc(Cl)c(F)cc1O	1117720976	IIFPPHMNXYCZBK-ZIAGYGMSSA-N	300.805	3.147	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccc([S@](C)=O)cc2)cc1F	1118858321	GCQNDSCIDKVIBH-QFIPXVFZSA-N	324.396	3.380	10	20	DGCD	
C[C@@H](NCC1Cc2ccccc2C1)c1cc(C(=O)O)ccc1O	1593258219	XURNFRJLNGUWPY-GFCCVEGCSA-N	311.381	3.156	10	20	DGCD	
COc1cc(C(=O)O)ccc1NCc1cc(C)c(C)cc1O	1610285246	DJFZHIGAPBNFCP-UHFFFAOYSA-N	301.342	3.328	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CC(C)(F)F)C(=O)O)cc1	1776860276	NRSLOONNKGEBAY-CQSZACIVSA-N	314.376	3.121	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccnc1	52396850	LWACZUKSLNFIOZ-UHFFFAOYSA-N	309.413	3.344	10	20	DGCD	
CC(C)C[C@@H]1CC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1	174070314	WXUUOLSNEWCWGX-QGZVFWFLSA-N	317.477	3.037	10	20	DGCD	
COC(C)(C)C[C@H](C)NCc1cccc(Br)c1O	174554711	QQRQSXKXCGBDHX-JTQLQIEISA-N	316.239	3.448	10	20	DGCD	
CCC1(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCC1	177286741	WTTXCRSSOFNJNR-UHFFFAOYSA-N	320.408	3.063	10	20	DGCD	
CC(C)(CCO)NCc1ccc(OCc2ccccc2)cc1O	183156774	LHRTWODGAPPLRY-UHFFFAOYSA-N	315.413	3.222	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)c2cc(C)cc(C)c2)c1	182392226	DMFRLUNHPCCALU-KUHUBIRLSA-N	315.413	3.402	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCCC(C)=O)cc1F	184767417	WIUFELYXUNEVCA-UHFFFAOYSA-N	308.397	3.047	10	20	DGCD	
COc1ccccc1NC[C@H](O)COc1ccc(C)cc1C	32186304	QLJBKZSNBJGDMM-HNNXBMFYSA-N	301.386	3.164	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CCCN2)c1O	317642634	QNEUKZIOBCIGII-CABCVRRESA-N	324.852	3.161	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](C)C(=O)NC(C)(C)C	317436996	RIDHKLVPAKXAMT-JHJVBQTASA-N	304.434	3.142	10	20	DGCD	
Cc1cc(CN(C)Cc2cnn(C)c2)c(O)c(C(C)(C)C)c1	42093803	DYRSKQSDGJGCQH-UHFFFAOYSA-N	301.434	3.364	10	20	DGCD	
O=[N+]([O-])c1cc(Br)cnc1Sc1nccs1	42389799	IBXLPZTVAWQNKS-UHFFFAOYSA-N	318.177	3.360	10	20	DGCD	
C[C@@H](NCc1cnn(C)c1)c1cc(Cl)c(Cl)cc1O	192721000	RJCXILQNYFWRML-MRVPVSSYSA-N	300.189	3.283	10	20	DGCD	
CC(C)Oc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1	236741845	VYYLVPCJGKVXCV-AWEZNQCLSA-N	312.413	3.476	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNc1ccc2c(c1)CCO2	236706775	MVPHFSVEIDPGPS-UHFFFAOYSA-N	310.397	3.070	10	20	DGCD	
COc1ccc(C)c2c1N(C(=O)/C=C\c1cccnc1)CCC2	255374977	MMZWGGWLWFVJIV-NTMALXAHSA-N	308.381	3.391	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1	262359849	WFZXGJOHMWGKFC-KGLIPLIRSA-N	314.351	3.296	10	20	DGCD	
CCCOc1ccc(CNCc2cn3c(n2)CCCC3)c(O)c1	263718787	ASAHHRFDEONFOJ-UHFFFAOYSA-N	315.417	3.004	10	20	DGCD	
CC(C)N1CC[C@H](NCc2cc(-c3ccccc3)ccc2O)C1=O	265262481	ZJYIAFKTOBBTCW-SFHVURJKSA-N	324.424	3.158	10	20	DGCD	
C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1O	273460962	CSGYXNRULUVTMA-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1n1ccnc1	271265736	LTOQGRRFMNFXFV-RDTXWAMCSA-N	316.424	3.171	10	20	DGCD	
O=C(NCc1ccccc1O)c1scnc1C1CCCC1	273547134	AKHPYPNZEBOPBF-UHFFFAOYSA-N	302.399	3.436	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1	283912853	DIWFTEUMVLCJOD-GFCCVEGCSA-N	314.389	3.094	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCN3CCC[C@@H]3C2)cc1	370675773	FBZQVDYKSJHZAK-KVSKMBFKSA-N	301.478	3.420	10	20	DGCD	
CC[C@@H](N[C@@H](CO)CC(F)(F)F)c1cccc(Cl)c1O	806149441	SNCXOXWMWMEBDA-LDYMZIIASA-N	311.731	3.400	10	20	DGCD	
Cc1oc(C(C)C)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	803090161	WCXMMEIKTLCBDY-LLVKDONJSA-N	317.385	3.484	10	20	DGCD	
CN(C)[C@@H](CN[C@@H]1CCc2cccc(O)c21)c1ccsc1	295912024	JFZFPAGGKSMWDZ-CABCVRRESA-N	302.443	3.334	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccnc(C(F)(F)F)c2)cc1	808027006	CFBILTOSXWYIPO-UHFFFAOYSA-N	323.318	3.096	10	20	DGCD	
COc1ccc([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1	817938360	JKJVGUQYRRGWMK-IFXJQAMLSA-N	313.445	3.112	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)CC1(C)C	824820975	RVKSDBBPQCIZAS-ZDUSSCGKSA-N	301.789	3.432	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC23CCSCC3)c1	825736912	NCEFORWLWJFYQC-BXUZGUMPSA-N	321.442	3.111	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@H]1CCO[C@@H](c2ccncc2)C1	824955232	VKPYVNXDBZEBRT-DOTOQJQBSA-N	318.804	3.451	10	20	DGCD	
CC1(C)CCN(Cc2ccc3ccccc3c2O)CC[S@@]1=O	825023673	GVLFULQSJFNMSF-QFIPXVFZSA-N	317.454	3.278	10	20	DGCD	
COc1ccc2c(c1)N(C(=O)/C=C(/C)c1cnccn1)CCCC2	827028286	VPRDNHUQNIXZNI-KAMYIIQDSA-N	323.396	3.258	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCSCC3)cc2)C[C@@H](C)O1	823671699	SSMFALITTLYYAI-QLPKVWCKSA-N	320.502	3.285	10	20	DGCD	
CCC1(CC)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	838030800	ZFWNXYVZRFSHSK-UHFFFAOYSA-N	307.413	3.223	10	20	DGCD	
CC[C@@H](COC)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	737710983	DRURWHMMFKNIFT-INIZCTEOSA-N	300.402	3.249	10	20	DGCD	
O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cc(O)cs1	731870671	MKDOEBRCEPWENB-UHFFFAOYSA-N	306.362	3.445	10	20	DGCD	
CCCCCCO[C@H](C)C(=O)NCc1cccc(OC)c1O	839633853	XBJRJPPQHANIHY-CYBMUJFWSA-N	309.406	3.002	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)[C@H](C)CCO)c1C	846602813	WPHDUEHOSCOGQG-CQSZACIVSA-N	314.429	3.245	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H]2[C@H]2CCCOC2)c1	843417150	PWXLXBHBKWIXPH-WMLDXEAASA-N	305.418	3.182	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@]1(CO)C[C@@H]1c1ccccc1	840946431	JYFFPOVEGQOAJZ-RTWAWAEBSA-N	324.468	3.317	10	20	DGCD	
Cc1cc(CN2CC[C@@H](C(=O)O)[C@@H]2C)ccc1N1CCCCC1	846282721	ASGAHTDIMMJNNF-DOTOQJQBSA-N	316.445	3.280	10	20	DGCD	
CC[C@H](N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1	840892795	DEYZJTAKCSDNMA-WDYCEAGBSA-N	304.478	3.397	10	20	DGCD	
CC[C@@H](NCc1c(O)cccc1Br)[C@@H](O)C(C)C	858177855	HIVRWMSGMYKUOY-OCCSQVGLSA-N	316.239	3.040	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(Cl)cc(F)c2O)cn1	757918225	YEXVUCBRSIRXGG-UHFFFAOYSA-N	310.756	3.220	10	20	DGCD	
CCOc1ccc(CNC[C@H]2CCCN(CC3CC3)C2)c(O)c1	853093589	OQDZWKARBGWDDH-MRXNPFEDSA-N	318.461	3.003	10	20	DGCD	
CCc1ccc(OCC(=O)NCc2cc(Cl)ccc2O)cc1	857546894	JOMOFJPGTVLHPC-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
Cc1cccc(C)c1NC(=S)NCc1cccc(N(C)C)n1	754691114	FEJDRCYEQUWSBI-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
O=C(C1=CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	764397473	WRCGZUMCOZSNIK-MRXNPFEDSA-N	301.386	3.010	10	20	DGCD	
COc1ccccc1C/C(C)=C/C(=O)NCc1ccccc1O	762808051	LUXJJQQFKALZGQ-WYMLVPIESA-N	311.381	3.206	10	20	DGCD	
C[C@H](NCCc1ccn(C)n1)c1ccc(Cl)c(Cl)c1O	760895750	COKNZVKVGWSZTO-VIFPVBQESA-N	314.216	3.326	10	20	DGCD	
Oc1cc2c(cc1CN1C[C@H]3COC[C@H]3C1)oc1ccccc12	872784222	JAYPNJFKXWJEAW-OKILXGFUSA-N	309.365	3.370	10	20	DGCD	
CCOc1ccc(CN[C@H](C)Cc2cccc(O)c2)c(O)c1	776174997	UPTPQIQERDPLJB-CYBMUJFWSA-N	301.386	3.217	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1	773016277	ATRUTIRNKMOPLB-ZDUSSCGKSA-N	300.377	3.312	10	20	DGCD	
CC(=O)CCCC(=O)N(Cc1ccco1)Cc1ccccc1O	773334968	WCLHQDUYMDXZOG-UHFFFAOYSA-N	315.369	3.273	10	20	DGCD	
COc1cc(O)c(CN2CC[C@H]2Cc2ccccc2)cc1OC	775724803	LDNHOPQWPFQFKC-INIZCTEOSA-N	313.397	3.226	10	20	DGCD	
C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1	772993456	HTHVQAFYFTVBAA-CYBMUJFWSA-N	300.377	3.312	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@H]1COC2(CCCCC2)O1	776496712	KZBGJLVMRHJYEQ-LBPRGKRZSA-N	311.809	3.211	10	20	DGCD	
CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1	887986183	QGQJTHPZDPJNJL-UHFFFAOYSA-N	315.417	3.354	10	20	DGCD	
CC1(C)CC(CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1	780483946	UNFVCFZREWEKEM-UHFFFAOYSA-N	313.445	3.298	10	20	DGCD	
Cc1cc2cc(NC(=O)c3c(F)ccc(O)c3O)ccc2[nH]1	789952667	GIWHFWQFKKCWPF-UHFFFAOYSA-N	300.289	3.279	10	20	DGCD	
CC(C)[C@@H](NCc1cc(Cl)cc(F)c1O)c1cnn(C)c1	897080786	CASYXLQYYKXASX-CQSZACIVSA-N	311.788	3.405	10	20	DGCD	
CCc1cccc(CNC[C@@](C)(O)c2cccc(F)c2)c1O	896563678	KUTCBBLHJCLYQA-GOSISDBHSA-N	303.377	3.091	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC(Nc2ccccn2)CC1	896193482	XYUWPKCDVNCPGQ-UHFFFAOYSA-N	319.355	3.142	10	20	DGCD	
COC(=O)[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1	893602858	LMYDYIWTELXMQN-GOSISDBHSA-N	311.381	3.016	10	20	DGCD	
CC(C)(C)N1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1204321851	LNZJPLYGTMWMAO-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
CN1CCN(c2ccc(CN3CC(C)(C)C3(C)C)cc2F)CC1	1323320570	BVLQVSJVSDJPFO-UHFFFAOYSA-N	319.468	3.198	10	20	DGCD	
CCC(CC)[C@H](O)CNCc1cccc(Br)c1O	225815663	VMOUSRAFFWSITC-CYBMUJFWSA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCO[C@@]2(CCOC2)C1	1320130705	AXVXCIXOBXBGKV-CUYVQJCZSA-N	317.429	3.177	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccco1	1329207825	BKDIBYKLPRMGBR-AWEZNQCLSA-N	312.413	3.472	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@@H](N2CCCC2)CC1	1331527737	CXNUFZJTDQIZAU-OAHLLOKOSA-N	310.388	3.121	10	20	DGCD	
CC[C@@H](C)n1nccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1338971589	UGEIQRIWDJAAES-ZIAGYGMSSA-N	314.433	3.411	10	20	DGCD	
C/C(=C/c1cccnc1)C(=O)N1CC[C@@H](C(=O)O)c2ccccc21	1589005526	IPHSOOQZWYNWRX-DVFVSVACSA-N	322.364	3.090	10	20	DGCD	
Cc1ccc(N2C(=O)/C(=C/c3csnn3)SC2=S)cc1	209182395	HXLZXJHTQBNCQP-WDZFZDKYSA-N	319.436	3.252	10	20	DGCD	
CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	121506079	HQXVMYYWOHAXKK-SJLPKXTDSA-N	313.445	3.441	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCCOCC2)c(C)n1-c1ccccc1	180996524	VYEXJTPKZKQGPQ-MRXNPFEDSA-N	312.413	3.393	10	20	DGCD	
CC[S@@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2cc(C)ccc2O)C1	185657357	UWXNLBUGRIUJOJ-BOLFOIPXSA-N	309.475	3.431	10	20	DGCD	
C[C@H](NC[C@@H](CCO)c1ccccc1)c1ccc(F)cc1O	185525313	ANUYZHYPJAYBSM-DZGCQCFKSA-N	303.377	3.348	10	20	DGCD	
C[C@@H](C[S@](C)=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1	184292329	WSQMBPDCSKALRN-GXZWQRSESA-N	308.491	3.095	10	20	DGCD	
Fc1cc(CN[C@@H]2CCC23CCCC3)ccc1N1CCOCC1	189072708	ICYLQRQOUOTNGT-GOSISDBHSA-N	318.436	3.475	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1O	186967340	AGXZVKZOZAVQQP-SGMGOOAPSA-N	306.406	3.025	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](C)CC2)c1O	190967382	UZILXRLATBJVHT-GXTWGEPZSA-N	306.406	3.169	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@H](C)c2ccc(F)cc2O)cc1	191593604	DRFZDYJUZUYPES-CJNGLKHVSA-N	303.377	3.094	10	20	DGCD	
C[C@@H](Cc1ccco1)NCc1cc(Br)ccc1O	226036463	MNMQRJZNYUFKKN-JTQLQIEISA-N	310.191	3.469	10	20	DGCD	
C[C@H](c1cccnc1)N1CCN(Cc2ccc(N(C)C)cc2)CC1	93413077	VJQVJWPHKKCARB-QGZVFWFLSA-N	324.472	3.026	10	20	DGCD	
COCc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1	266588022	NQNCTXHRLJPMIV-MDWZMJQESA-N	305.424	3.197	10	20	DGCD	
CC[C@H](C)[C@@H](C)C(=O)NCc1cccc(Br)c1O	277582081	RMEMWLKHSCZWJB-VHSXEESVSA-N	314.223	3.453	10	20	DGCD	
C[C@@H](OCc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O	294798305	IDZUZSIDQBAIAC-CYBMUJFWSA-N	317.360	3.095	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H](C(N)=O)c2ccccc2)c1O	808674006	MGANXQHQHDIYON-IAQYHMDHSA-N	318.804	3.231	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](CO)C(C)C)cc1	805315103	OYIIGNIALICCAB-QGZVFWFLSA-N	314.429	3.088	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCC(=O)NC(C)(C)C)c1O	808705356	FIXBVLFDVZZJLW-NSHDSACASA-N	312.841	3.309	10	20	DGCD	
CCN(Cc1noc(C(C)(C)C)n1)c1ccc(OC)c(OC)c1	299286957	QZMAYXMWZDXANQ-UHFFFAOYSA-N	319.405	3.411	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@@H](C)c2ccc(C)cc2O)s1	818357039	UUWCWMHQCBWRPC-QWRGUYRKSA-N	320.414	3.356	10	20	DGCD	
Cc1nn(C)c2cc(NC(=O)N(C)Cc3ccccc3O)ccc12	812988911	PUHNQCWKJZHGJT-UHFFFAOYSA-N	324.384	3.251	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(CO)c1	813425377	LFOVDBUYXNOJEG-UHFFFAOYSA-N	324.424	3.099	10	20	DGCD	
COc1cccc(CNCC[C@@]2(C)CC2(Cl)Cl)c1O	824970119	JHPFEQDGJAKXHZ-ZDUSSCGKSA-N	304.217	3.464	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3nccc4occc34)ccc21	824682701	JCTXYYTUCYCPMD-UHFFFAOYSA-N	321.380	3.140	10	20	DGCD	
CC/C(C)=C/C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	822786212	NHJOKWINKBESGV-BUYIWHAFSA-N	302.418	3.057	10	20	DGCD	
COc1ccc(CNC[C@@H](c2ccccc2)c2nc[nH]n2)cc1C	825123720	BZTZQDVMCBJVDQ-KRWDZBQOSA-N	322.412	3.043	10	20	DGCD	
O=C(/C=C/c1cccnc1)N(Cc1ncc[nH]1)c1cccc(F)c1	492074865	XSYVMGJUCCRFKI-VOTSOKGWSA-N	322.343	3.190	10	20	DGCD	
CCN(C(=O)CN[C@H]1CCc2cccc(O)c21)c1ccccc1	903195493	UKFFQVXYMOZEQR-INIZCTEOSA-N	310.397	3.022	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2cnco2)cc1	588403919	IIKZXHFPLIAXTI-WAPJZHGLSA-N	322.320	3.405	10	20	DGCD	
C[C@H](N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc2ccccc2c1O	834913681	IRIMGHWCWWWQDH-YEWWUXTCSA-N	324.424	3.349	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1	914460810	HCWIYUGFZYJVNW-UHFFFAOYSA-N	301.434	3.325	10	20	DGCD	
O=C(CCCC1CCOCC1)NCc1cc(Cl)ccc1O	846472624	CFFMZULRABSKHL-UHFFFAOYSA-N	311.809	3.259	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@H]2C2CCCC2)cc1	841957061	MNBXLSLXEVUFTD-KRWDZBQOSA-N	301.434	3.176	10	20	DGCD	
CCC(CC)[C@@H](CCNC(=O)N(C)Cc1ccccc1O)OC	747455689	HPUNMLQEZGZCAO-QGZVFWFLSA-N	322.449	3.375	10	20	DGCD	
COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)o1	841296613	WFWKKOKZIOJHRE-HNNXBMFYSA-N	315.373	3.377	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC([C@H]2CCCNC2)CC1	849350077	JRVDBVLXLCWIPP-SFHVURJKSA-N	315.505	3.273	10	20	DGCD	
CO[C@@](C)(C1CC1)[C@H](C)NCc1cc(Cl)c(F)cc1O	840961309	VBLOALCKTZHCMD-BJOHPYRUSA-N	301.789	3.478	10	20	DGCD	
C[C@@H]1Cc2ccccc2N1CCNCc1ccc2c(c1)CCO2	742709377	KKYZBMSTDSEUBD-OAHLLOKOSA-N	308.425	3.162	10	20	DGCD	
COc1cccc([C@H](C)NCCCN2C[C@@H](C)C[C@H](C)C2)c1O	846140365	PKGMKHAJJDLPHR-JYJNAYRXSA-N	320.477	3.419	10	20	DGCD	
COc1cccc([C@H](C)NCCc2nc(C)c(C)s2)c1O	846150235	OSHAUTXPIVJHHA-NSHDSACASA-N	306.431	3.367	10	20	DGCD	
CCOCc1cc(CN[C@@H](CC(=O)O)C(C)(C)C)ccc1OC	841799064	NJSGZMIZXDEEJT-INIZCTEOSA-N	323.433	3.211	10	20	DGCD	
CCOc1ccc([C@@H]2Nc3ccc(C)cc3C(=O)N2C)c(O)c1	741257324	ITQJCAFOJFQJDV-QGZVFWFLSA-N	312.369	3.296	10	20	DGCD	
COC(=O)[C@@H](CC1CCCCC1)NCc1cc(F)ccc1O	756146584	KLNGTLZGYLYSHV-OAHLLOKOSA-N	309.381	3.133	10	20	DGCD	
COc1ccc(O)c(CN2CCN(c3ccc(C)cc3)CC2)c1	753577344	SIYBMDQUDCXXRT-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
CCC(C)(C)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753739519	GMCCBAGZEFFVCK-UHFFFAOYSA-N	322.424	3.309	10	20	DGCD	
CO[C@@H]1[C@H](C)[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1(C)C	756788832	DBHIUPVRDSPCRE-ZMRCNFHJSA-N	308.378	3.011	10	20	DGCD	
C[C@@H](NC[C@H](CO)Cc1ccco1)c1cc(Cl)ccc1O	756661341	RANFJMOBFADVSO-VXGBXAGGSA-N	309.793	3.140	10	20	DGCD	
CN1CCCC[C@@H](CNCc2c(O)ccc(Cl)c2F)C1	858245035	BADONDJGYYXMJF-NSHDSACASA-N	300.805	3.006	10	20	DGCD	
CCN(CCCO)C(=O)c1cc(C)ccc1-n1c(C)ccc1C	757202973	PGYOQAYMKYBFRF-UHFFFAOYSA-N	314.429	3.247	10	20	DGCD	
CCn1cc([C@H](C)NCc2c(O)cccc2Br)cn1	858173636	DPVBEBFPOANTPR-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
CC[C@]1(C)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769519061	IGFYAESYLFGDJX-GOSISDBHSA-N	306.425	3.284	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]2c2cc(C)no2)c(O)c1	768878276	LCZVSQPIAUNZNO-OAHLLOKOSA-N	302.374	3.424	10	20	DGCD	
Cc1cnc([C@@H](C)CNC(=O)N[C@H](C)c2ccccc2O)s1	868498785	AEYVAGZEYIRIML-CMPLNLGQSA-N	319.430	3.321	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](F)c2ccccc2)c1	769608288	UVCBMOJVTPYJBQ-BZNIZROVSA-N	303.333	3.289	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@](O)(c3ccccc3)C2)cc1C	862482644	KMGVHUXILNJDNV-HXUWFJFHSA-N	311.425	3.493	10	20	DGCD	
C[C@@H]1CC2(CCNCC2)CN1Cc1ccc(N2CCCC2)cc1	1118076067	KLGWROQUTMWZNT-QGZVFWFLSA-N	313.489	3.251	10	20	DGCD	
COc1ncc(/C=C\C(=O)N(C)c2ccc3ccccc3c2)cn1	775771596	BTDGLEYKILGHAV-YFHOEESVSA-N	319.364	3.315	10	20	DGCD	
CN(C)c1ccc([C@@H]2NC(C)(C)C(=O)N2c2ccccc2)cc1	877857666	XBGLTMVTPQVAGA-QGZVFWFLSA-N	309.413	3.166	10	20	DGCD	
CC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	774544214	ZSCALKNNURXXTG-CYBMUJFWSA-N	303.333	3.368	10	20	DGCD	
CN1CCN(c2ccc(CNc3ncc(Cl)s3)cc2)CC1	882879769	LTGUEQCQLKZCJL-UHFFFAOYSA-N	322.865	3.160	10	20	DGCD	
CC(C)[C@H](CC(F)(F)F)NC(=O)/C=C\c1ccc(O)c(O)c1	783870599	XQWXXTOPBFNXNB-QZPNVGJNSA-N	317.307	3.204	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1C[C@@H](C)Oc2cc(F)ccc21	784045945	CQGXDNBTMIWETH-ACVFHECNSA-N	312.344	3.356	10	20	DGCD	
CC(C)[C@@H](CCO)NCc1ccc(N(C)C)cc1C(F)(F)F	792998208	SGEWUHNXIDWGOV-OAHLLOKOSA-N	318.383	3.268	10	20	DGCD	
CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1	793468322	LESFZCIFRRUFEN-DYVFJYSZSA-N	324.440	3.349	10	20	DGCD	
COc1ccc(CNC(=O)C[C@@H](C)c2ccc(F)cc2)c(O)c1	794383897	SDBMPWGYDPOEEN-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3CCC[C@@H]4C[C@H]34)C2)cc1	1327882522	ZDBCVTHWSVGHJL-LTDCPUDJSA-N	300.446	3.300	10	20	DGCD	
COc1cc(CN2CCC[C@@H]3COC[C@@H]32)c(O)c(C(C)(C)C)c1	1347393940	FLARZOBTWLPVQE-DYVFJYSZSA-N	319.445	3.309	10	20	DGCD	
COc1cc(C)cc(CN2CC(c3ccc(F)cc3)C2)c1O	1262111815	QLWJKJYOXVAXBF-UHFFFAOYSA-N	301.361	3.448	10	20	DGCD	
Nc1ccc(CNC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1	1580445401	BQKUSZCPHXLDCH-OAHLLOKOSA-N	310.319	3.111	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@]3(C(=O)O)CCC[C@@H]23)cc1	1776855925	PIJRUBMKFWLTCY-MJGOQNOKSA-N	316.445	3.362	10	20	DGCD	
O=C(NCCCSc1nccs1)N1CCC2(CCC2)C1	154688961	GKMRHNYCNBNPFP-UHFFFAOYSA-N	311.476	3.211	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(Br)nc2)c1	226665112	SGSKGMVHBLWIAV-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
C[C@@H]1O[C@H](C)C[C@H]1CNCc1cc(Br)ccc1O	686512208	NWYRPXWOQCSKDM-VWYCJHECSA-N	314.223	3.058	10	20	DGCD	
O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)s1	64029798	GOIXMRCMPFIFFY-UHFFFAOYSA-N	319.386	3.105	10	20	DGCD	
Cc1noc(-c2cccnc2NCc2ccc(N(C)C)cc2C)n1	78264443	ATFNJEYNBXMTEY-UHFFFAOYSA-N	323.400	3.427	10	20	DGCD	
CCC(CC)N(CCOC)Cc1ccc(N2CCOCC2)cc1	92565882	YXNVWOHIAQEOSH-UHFFFAOYSA-N	320.477	3.160	10	20	DGCD	
CC1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1	120212009	FCGHNHZKQPYICE-LBPRGKRZSA-N	324.371	3.173	10	20	DGCD	
CCc1ncsc1C(=O)NCc1ccc(N(C)C)cc1C	121447353	CYUVJVXVFJLUCM-UHFFFAOYSA-N	303.431	3.010	10	20	DGCD	
O=C(NCc1ccccc1O)c1csc(Br)c1	133758806	YJCOKBGVODWVBN-UHFFFAOYSA-N	312.188	3.146	10	20	DGCD	
CC[C@H](C)[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	151514775	DVBBGNIFMFYAKM-UONOGXRCSA-N	308.441	3.311	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@@H](CC)c2ccccc2O)cc1	155161930	VNSGPCXUXSCGFJ-KRWDZBQOSA-N	312.413	3.383	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1c1ccccc1	180898847	AVMPAVKQCNLPLQ-SOGBHIHOSA-N	309.365	3.475	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(F)cc2O)c1	185177287	WFRPNGCDGTWGES-LBPRGKRZSA-N	316.376	3.132	10	20	DGCD	
CCN(Cc1ccncc1)Cc1cc(F)cc(C(C)=O)c1O	271051862	XQSVYCNCGGNWSS-UHFFFAOYSA-N	302.349	3.151	10	20	DGCD	
COCCOCCCN[C@@H](C)c1ccc(Cl)c(Cl)c1O	273431108	VRPSTTMTSNRZHM-JTQLQIEISA-N	322.232	3.403	10	20	DGCD	
Cc1cc(-c2nc([C@H]3CCCO3)no2)c(C)n1-c1ccccn1	274166970	OJQWYHBIJDFGQY-CQSZACIVSA-N	310.357	3.391	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCC[C@H]2C[C@H](C)O)c1O	280487445	ONCJRFICLFRQMY-FZMZJTMJSA-N	313.825	3.180	10	20	DGCD	
CCn1ccnc1[C@H]1CCCCN1Cc1cccc(OC)c1O	281169369	QKTCGECMFKHGHA-OAHLLOKOSA-N	315.417	3.344	10	20	DGCD	
COc1ccc(N2CCN(c3ncc(Cl)cc3F)CC2)cc1	301547189	PSHCADWKBZSMBY-UHFFFAOYSA-N	321.783	3.209	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CCN2CCC[C@H]2C1	316871784	WNZLDZRJAGAMAG-UGUYLWEFSA-N	300.446	3.465	10	20	DGCD	
Cc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)c(C)n1	348697237	HUCMJIFTMFUMHQ-UHFFFAOYSA-N	307.397	3.429	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@H]1C[C@H]1C1CC1	751306035	OPGZCXXLYIHWAY-KBPBESRZSA-N	318.380	3.381	10	20	DGCD	
Cc1ccc([C@H](C)NCCCOC[C@H]2CCOC2)c(O)c1C	756602957	HBIPMWYWIWODDC-JKSUJKDBSA-N	307.434	3.103	10	20	DGCD	
CCc1nc([C@H](C)N[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)n[nH]1	756778228	NLBBEFSGYKHZIC-ATZCPNFKSA-N	304.369	3.111	10	20	DGCD	
CCOc1ccc(CN2CCCC[C@@H]2c2ncc[nH]2)c(O)c1	769211674	YZVDEPBJZPFCQD-OAHLLOKOSA-N	301.390	3.241	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(N(C)C)cc1	777692281	JRXRJBUXNUHHBJ-ZDUSSCGKSA-N	309.413	3.212	10	20	DGCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1c(F)cccc1F	779501066	UCHQJCZTYVBKPD-BJPMOSCESA-N	319.307	3.267	10	20	DGCD	
CC(C)(CO)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1	787769790	IRMORZDEYCLYJR-IBGZPJMESA-N	311.425	3.471	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCC[C@@H](C)O)c1	790084237	PZRKNIUVFMDBRN-MRXNPFEDSA-N	314.429	3.293	10	20	DGCD	
Cc1ccc(C[C@H](CO)NCc2c(O)ccc(Cl)c2F)cc1	790990802	FWVVSCUSKCSINS-CYBMUJFWSA-N	323.795	3.186	10	20	DGCD	
CSc1ccccc1CN(C)C(=O)c1ccc(C)c(O)c1O	792542035	GFTBBOLFZFPCPR-UHFFFAOYSA-N	317.410	3.400	10	20	DGCD	
C[C@H]1CC[C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1	792953085	XJNQXTDQRVPMRU-STQMWFEESA-N	307.413	3.127	10	20	DGCD	
CC[C@H](N[C@@H](CO)CCOC)c1ccc(Cl)c(Cl)c1O	798940882	OKAKTJJJZUMNOT-SKDRFNHKSA-N	322.232	3.137	10	20	DGCD	
C[C@@H](CN(C)C)NCc1ccc2c(c1)CCN2Cc1ccccc1	808423554	QSTFYAIJLOGZEB-KRWDZBQOSA-N	323.484	3.289	10	20	DGCD	
CSC[C@@H](CCO)N[C@H](C)c1cc(Cl)cc(C)c1O	808699078	RUPPEZVXRMFNNO-ZYHUDNBSSA-N	303.855	3.119	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)C(=O)N2CCCC2)c1O	808717584	FECJVWUWQPOBJE-NEPJUHHUSA-N	310.825	3.016	10	20	DGCD	
Cc1cc(Br)cc(CN2CCCc3n[nH]cc32)c1O	811497587	RHDPXCODKPGGAL-UHFFFAOYSA-N	322.206	3.139	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCO[C@H](c2ccco2)C1	816518659	JFKUFGDJVSFKMZ-HNNXBMFYSA-N	311.740	3.351	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@H]1Cc2ccccc2O1	816532871	YWNSYXZPILQSNH-GFCCVEGCSA-N	307.752	3.278	10	20	DGCD	
C[C@@H](NCC1(N)CCC1)c1ccc(N2CCCCC2)c(F)c1	817964595	FNHQOAHHWDGMKF-CQSZACIVSA-N	305.441	3.348	10	20	DGCD	
COc1nccc(CN2CCCc3cc(OC(F)F)ccc32)n1	824159454	AVOMFKOJLZKMNQ-UHFFFAOYSA-N	321.327	3.039	10	20	DGCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(Cc4cc(Cl)c(C)cc4O)[C@@H]1[C@H]3C2	825884778	ACRVPAVFBXWUFS-WQZURDFPSA-N	307.821	3.209	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](N3CCCC3)[C@H]2C)cc1Cl	825900796	RNZLFCJNTSEYCQ-CZUORRHYSA-N	308.853	3.413	10	20	DGCD	
COC(=O)[C@H]1C[C@H](NCc2cc(-c3ccccc3)ccc2O)C1	827812524	OOHSBQPZEYXRKG-JCNLHEQBSA-N	311.381	3.100	10	20	DGCD	
CCCNC(=O)c1cccc(CN[C@H]2CCc3cccc(O)c32)c1	834513648	NTTBRTYLUKLJRN-KRWDZBQOSA-N	324.424	3.309	10	20	DGCD	
CN1CCN(c2ccc(N[C@@H]3CCc4cccc(O)c43)cc2)CC1	834740873	ABWXREJQOKOMNM-GOSISDBHSA-N	323.440	3.243	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C2CCC2)C2CC2)c1	834910602	ILFFLLZRTNIWRU-GTNSWQLSSA-N	303.402	3.408	10	20	DGCD	
CC(C)CN(Cc1ccc(N(C)C)c(F)c1)Cc1cnn(C)c1	835076359	HWMFAASUSXHFEI-UHFFFAOYSA-N	318.440	3.283	10	20	DGCD	
CC(C)[C@]1(C)C[C@H]1NC(=O)NCCCSc1nccs1	838515492	WWJGLZNYEOICON-RISCZKNCSA-N	313.492	3.359	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CC(F)(F)C1	839918912	DOEKUXYJOHPRNE-LBPRGKRZSA-N	310.388	3.154	10	20	DGCD	
COC1([C@@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1	840355165	XZJXRPMCHAAFQC-ZIAGYGMSSA-N	319.449	3.070	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CCCN2	841303078	KQYSZGZLAOJFHA-UHFFFAOYSA-N	311.385	3.414	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2CCN(CC(F)F)C2)c2c(O)ccc(F)c21	841765368	RCBXEVXYDDIVRJ-CKYFFXLPSA-N	314.351	3.009	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](O)c2ccc(Cl)cc2)c1O	846136060	HRXWOYDXHVBXLM-IAQYHMDHSA-N	321.804	3.438	10	20	DGCD	
COc1cccc([C@@H](C)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1O	846140367	PKGMKHAJJDLPHR-OWCLPIDISA-N	320.477	3.419	10	20	DGCD	
COc1cccc([C@@H](C)NCCCCNc2ccccn2)c1O	846143764	HHFTVXWREBXZBR-CQSZACIVSA-N	315.417	3.339	10	20	DGCD	
CC(=O)[C@@H]1C[C@H](CC(=O)NCc2cc(Cl)ccc2O)C1(C)C	846472922	GSEHXGDWPFZXBM-OCCSQVGLSA-N	323.820	3.303	10	20	DGCD	
COc1cc(CN[C@H](C)c2ccn(C)n2)c(O)c(C(C)(C)C)c1	850325195	WTISTANWISEBCY-GFCCVEGCSA-N	317.433	3.283	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@@H](c3cccnc3)C2)cc1F	862398291	DMQLHRFMMJIRAZ-CQSZACIVSA-N	317.383	3.415	10	20	DGCD	
COCCn1ncc2ccc(NCc3ccc(C)cc3O)cc21	877159810	MAYYBZXOECIJMP-UHFFFAOYSA-N	311.385	3.309	10	20	DGCD	
CSc1cc(O)ccc1NS(=O)(=O)CCC1CCCC1	882718516	HYBAZBLUSWPRQN-UHFFFAOYSA-N	315.460	3.436	10	20	DGCD	
CN=[S@@](C)(=O)c1cccc(NCc2ccc(C)cc2O)c1	895731144	FDWNONIIGPRDQO-NRFANRHFSA-N	304.415	3.399	10	20	DGCD	
CCS(=O)(=O)CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C	915362848	KIMFWFIXTXSOCB-UHFFFAOYSA-N	319.426	3.020	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1oc(C(C)C)nc1C	935946132	YLIVYJOPKONZSP-UHFFFAOYSA-N	323.389	3.228	10	20	DGCD	
C[C@H]1[C@H](N2CCCC2)CCN1Cc1ccc(N2CCCC2)cc1	1117582778	BALNORPQUOZHNN-FXAWDEMLSA-N	313.489	3.345	10	20	DGCD	
C[C@H](NCCC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1O	1118027233	VPPKZFKUQRDIFK-OLZOCXBDSA-N	324.852	3.345	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C	1342569385	MEELZKOCGUVNCA-HBNTYKKESA-N	306.435	3.213	10	20	DGCD	
CC1(C)CCC[C@@](NCc2cc(F)cc(F)c2O)(C(=O)O)C1	1776551257	SERUHNFFIVWJTE-INIZCTEOSA-N	313.344	3.184	10	20	DGCD	
CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2CC)c1O	30542558	PYVPJIAFVIXFMO-QGZVFWFLSA-N	312.369	3.377	10	20	DGCD	
C[C@@H](Sc1nccs1)C(=O)Nc1ccc(N(C)C)cc1	48874437	NQPGUYRZUOWMBC-SNVBAGLBSA-N	307.444	3.328	10	20	DGCD	
Cc1ccc2c(c1)nc(-c1ccc(N3CCOCC3)cc1)n2C	48879977	PDLXYDZGLORXQT-UHFFFAOYSA-N	307.397	3.385	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccncc1	52396831	HYTPRRGFYRUCJG-UHFFFAOYSA-N	309.413	3.344	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C(/C)c2ccc(F)cc2)c1	114540954	BUPNQURIZSZLRB-XFXZXTDPSA-N	315.344	3.260	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCS1)c1ccc(N2CCOCC2)c(F)c1	118945679	FTKBJADWNKZXIL-HIFRSBDPSA-N	324.465	3.209	10	20	DGCD	
CCCOc1ccc(CN(C[C@H]2CCOC2)C2CC2)c(O)c1	130014371	WVZNTIPURUZBMJ-CQSZACIVSA-N	305.418	3.182	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H](Cc3ccccc3)C1)OCO2	172916070	AIGXYBYJOLKLHS-OAHLLOKOSA-N	311.381	3.186	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@H](C)c1ccc(N(C)CC)cc1	178715054	QHYZOBWHJOTJSM-LSDHHAIUSA-N	305.466	3.098	10	20	DGCD	
O=C(Nc1ccon1)N(Cc1ccco1)Cc1ccccc1O	183591289	BZGSVKVUOPWBFC-UHFFFAOYSA-N	313.313	3.208	10	20	DGCD	
C[C@@H](NCCNC(=O)CC1CCCCC1)c1ccc(F)cc1O	186033079	LREHCPWRBBJUQL-CYBMUJFWSA-N	322.424	3.269	10	20	DGCD	
Cc1cccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1	187061497	IEOUBYLZARLNJC-UHFFFAOYSA-N	305.399	3.427	10	20	DGCD	
Cc1cnc2c(S(=O)(=O)Nc3ccc(O)cc3)cccc2c1	193103405	UUZAFEFAVAMGKR-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
CC(C)C(C)(C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	275761225	GGISLFOVURKJPE-UHFFFAOYSA-N	318.461	3.164	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(C)cc1O	280075808	LKXARXHEJIOJJL-DOTOQJQBSA-N	311.429	3.415	10	20	DGCD	
OC[C@@H]1CN(Cc2cccc(Cl)c2O)CC[C@@H]1C(F)(F)F	289957462	YYYDQEVZSMEBOI-QWRGUYRKSA-N	323.742	3.038	10	20	DGCD	
CCCCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	299068692	NXBABKUBPYQROW-UHFFFAOYSA-N	312.479	3.093	10	20	DGCD	
CC[C@H](NCc1ccc(-n2ccnc2)nc1)c1ccccc1O	373212836	VHUSGOPJWGSXIW-INIZCTEOSA-N	308.385	3.214	10	20	DGCD	
CCC[C@@]1(NCc2cccc(Br)c2O)CCOC1	378723741	AGCWJXSDIQKKED-CQSZACIVSA-N	314.223	3.204	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2ccccc2F)CC1	588407062	SERGCCLQTRMLNX-VURMDHGXSA-N	313.328	3.056	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2C[C@H](C)Oc3c(F)cccc32)s1	588513022	CINRGTNIEOBDCR-GFVADAIESA-N	318.373	3.418	10	20	DGCD	
O=C(CCc1ccsc1)NCCCSc1nccs1	733883844	DPEBTACCFYDZQE-UHFFFAOYSA-N	312.485	3.436	10	20	DGCD	
CC(C)[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1	746978412	MYHFEWFFIHOUOS-OAHLLOKOSA-N	307.413	3.222	10	20	DGCD	
CC[C@@](C)(CC(=O)OC)NCc1ccc(N2CCCCC2)cc1	748246872	QPPYWMFPMJREJP-IBGZPJMESA-N	318.461	3.498	10	20	DGCD	
CC[C@H](C)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	756324059	YVGCSOXNWDOMOV-WRWORJQWSA-N	306.189	3.288	10	20	DGCD	
CCN(CC)CCOCCN[C@@H](C)c1cc(Cl)ccc1O	757675081	ZORGPCDFOIIVGR-ZDUSSCGKSA-N	314.857	3.055	10	20	DGCD	
C[C@@H](NC1COC(C)(C)OC1)c1ccc2ccccc2c1O	757698835	UFASITAHRVSRDE-GFCCVEGCSA-N	301.386	3.348	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCc3cccc(F)c3C2)c1O	767776826	XXKONEORIXKHPY-UHFFFAOYSA-N	317.335	3.431	10	20	DGCD	
CCN(Cc1ccc(C)cc1)Cc1cc2c(cc1O)OC[C@@H]2O	768441154	WHRLZWZBJQTWOU-SFHVURJKSA-N	313.397	3.149	10	20	DGCD	
CCO[C@@H](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C	773023387	XGDQHRQHLXKRIV-YOEHRIQHSA-N	306.450	3.381	10	20	DGCD	
C[C@@H]1CCC[C@@H](CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1	773748259	IPMWGGRSQVBHHR-MGPQQGTHSA-N	305.418	3.361	10	20	DGCD	
CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(N3CCCC3)cc2)C1(C)C	776155169	ZUGOQVRPWGAAAJ-JCGIZDLHSA-N	302.462	3.436	10	20	DGCD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C2	779475550	KODZOJHFGSKBLR-VNEUXFFBSA-N	315.413	3.442	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C(=O)OC)[C@@H]2C)cc1F	787420456	HGQURIYVOLZGKA-ZFWWWQNUSA-N	322.424	3.055	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCC(=O)N(C)C2CCCCC2)c(O)c1	788670559	UHWPBMBUAZCUAX-OAHLLOKOSA-N	318.461	3.451	10	20	DGCD	
CC(C)[C@H](NCc1cccc(Cl)c1O)[C@H](O)C(F)(F)F	788831922	NXLDEWHYPRVOQC-JQWIXIFHSA-N	311.731	3.083	10	20	DGCD	
Cc1[nH]nc(NC(=O)c2cccc(O)c2O)c1-c1ccccc1	790602490	BMLQRGZAFQJBPX-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
C[S@@](=O)Cc1ccc(CNCc2c(O)cccc2Cl)cc1	796527284	XSMSGESTKKFABW-OAQYLSRUSA-N	323.845	3.214	10	20	DGCD	
O=C(COC(=O)c1cc(O)cs1)Cc1ccccc1Cl	800166224	LXHMKOQSLRRJAK-UHFFFAOYSA-N	310.758	3.076	10	20	DGCD	
CC(C)COCCC(=O)NCc1cc(Cl)cc(Cl)c1O	807833806	FQZHCXOLXFZQFS-UHFFFAOYSA-N	320.216	3.378	10	20	DGCD	
CCOC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1O	816481910	MUYRFFQLOCIUJA-ZDUSSCGKSA-N	315.772	3.102	10	20	DGCD	
CC[C@@H](NC[C@H]1CCCN1)c1cc(Cl)cc(Cl)c1O	817954229	WGPJMZHPZUWCJD-ZWNOBZJWSA-N	303.233	3.492	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H]3C[C@H](C)O[C@H](C)C3)C2)cc1	818222793	VZKRNAGTOLHHCC-YVSFHVDLSA-N	318.461	3.067	10	20	DGCD	
CCC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819583496	WYFCFAANBBATDA-CQSZACIVSA-N	304.434	3.074	10	20	DGCD	
O=C(O)C1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1	821511049	BLCYUZDYHQBJBJ-UHFFFAOYSA-N	311.381	3.356	10	20	DGCD	
Cc1cc(O)c(CN2CCS[C@@H]3COCC[C@H]32)cc1Cl	824913258	NBELEVOYHVTXDH-UKRRQHHQSA-N	313.850	3.060	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)Cc2cnn(C)c2)c1O	834896763	NOCJJTXWPZIOJB-NWDGAFQWSA-N	307.825	3.369	10	20	DGCD	
Cc1cc(C)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cn1	834903495	PWXYBWOSCZNAER-GFCCVEGCSA-N	301.346	3.163	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)CCCC2	840119978	JVMIQAZNJDEKMW-OTWHNJEPSA-N	315.457	3.396	10	20	DGCD	
CC(C)(C)c1ccncc1CNC(=O)NCc1ccccc1O	840275627	GJMRKBQGIRXCIE-UHFFFAOYSA-N	313.401	3.084	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H](N2CCCC2)C1	840910860	NOAOGSQMIIXQNG-LJQANCHMSA-N	301.478	3.121	10	20	DGCD	
CCNC(=O)c1cccc(NCc2ccc(N(C)C)cc2C)c1	840921919	AUPBTNRWOZDOMH-UHFFFAOYSA-N	311.429	3.423	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](CO)[C@H]2C)cc1F	840977882	KWIFZQZREAYEGY-GDBMZVCRSA-N	308.441	3.265	10	20	DGCD	
Cc1ccc(CNCCc2ccc(N)cc2)c(-c2ccnn2C)c1	841039064	ZBGKHUJEUDDSFZ-UHFFFAOYSA-N	320.440	3.310	10	20	DGCD	
C[C@H](Cc1ccsc1)NC[C@@H](N)c1ccc(N(C)C)cc1	841044732	FKMSMFDWWMHEBS-CXAGYDPISA-N	303.475	3.035	10	20	DGCD	
CCOc1nc(N[C@H](C)c2cc(OC)ccc2O)ncc1Cl	845485634	OJMMGJPJVYTZGE-SECBINFHSA-N	323.780	3.416	10	20	DGCD	
C[C@H](NC[C@@H](C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	848562367	IOEMZUOUMAHQKQ-KGLIPLIRSA-N	306.450	3.381	10	20	DGCD	
CCc1cccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O	848907006	GLLITNPLFQMZNB-HIFRSBDPSA-N	317.351	3.090	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C1(CO)CC1	850362101	YRYARMRCYOPJCA-LLVKDONJSA-N	316.367	3.022	10	20	DGCD	
Oc1cccc(Br)c1CNCCCc1ccco1	858194792	KIHPMSGSODRPIL-UHFFFAOYSA-N	310.191	3.470	10	20	DGCD	
O=[N+]([O-])c1cc(CN2C[C@H]3C[C@@H]3C2)ccc1N1CCCCC1	862440648	JLYGGDRIUNZPAR-HUUCEWRRSA-N	301.390	3.037	10	20	DGCD	
O=C(c1ccccc1)c1ccc(O)c(CN(C2CC2)C2CC2)c1O	863304325	XJMBQMRRKHLYAL-UHFFFAOYSA-N	323.392	3.456	10	20	DGCD	
Cc1ccc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)c(O)c1	877476510	GJNGSYMHHCWZQS-HKUYNNGSSA-N	315.388	3.096	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccoc2)cc1	916636126	WNAQMWLJFPOLHM-UHFFFAOYSA-N	315.417	3.467	10	20	DGCD	
Cn1nc(CNCc2ccc3c(c2)CCCO3)c2ccccc21	921997341	DTHDDPYPVPJAPT-UHFFFAOYSA-N	307.397	3.188	10	20	DGCD	
COc1ccc(CN[C@H]2CCN(C(=O)C(C)C)[C@H](C)C2)cc1C	1044472369	URKHBPDQWSAONC-WBVHZDCISA-N	318.461	3.129	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CC[C@@H]2C[C@@H]2C1	1122833559	UYLJIMUARXZEDY-VXGBXAGGSA-N	318.446	3.214	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N(C)c1cccc2c1CCCN2	1338984626	WSBLAJVHUQUHLL-CMDGGOBGSA-N	313.426	3.486	10	20	DGCD	
CCCC1(C(=O)N2CCN(c3ccc(OCC)cc3)CC2)CC1	1341406503	IGEBSEDWGRNNKO-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
CC[C@@H]1CC[C@H](C)N1Cc1ccc(N2CCN(C)CC2)c(F)c1	1347236130	WNBMRQJNGFUVKJ-DOTOQJQBSA-N	319.468	3.340	10	20	DGCD	
C[C@H](Nc1cnn(C(C)(C)C)c1)c1cc(C(=O)O)ccc1O	1593366715	FMJOYJSUOUMUMY-JTQLQIEISA-N	303.362	3.215	10	20	DGCD	
CN(C)c1ccc(CNc2ncc(C(=O)O)cc2Cl)cc1	1598320816	UMDIQOKHQIRSOS-UHFFFAOYSA-N	305.765	3.111	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)CCc2cccs2)c1O	93269252	HGJZBVNXMXGNRS-UHFFFAOYSA-N	307.390	3.470	10	20	DGCD	
CCC[C@@H](CCO)CNC1CCN(c2ccc(OC)cc2)CC1	152467099	YFHDUFDYVMIOES-INIZCTEOSA-N	320.477	3.052	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1	158009809	DHHDRCNAFXYNKV-HUUCEWRRSA-N	306.425	3.140	10	20	DGCD	
C[C@H](N[C@@H]1CCCSC1)c1ccc(N2CCOCC2)c(F)c1	159649422	JOPITBZAADKEMX-DZGCQCFKSA-N	324.465	3.209	10	20	DGCD	
CC(C)OCCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	178191992	KPHKJHPDJCYZEE-OAHLLOKOSA-N	324.440	3.128	10	20	DGCD	
Cc1nccn1C[C@@H](C)CN[C@H](C)c1ccc(N(C)C)cc1	178698601	LPAXRYYTNDUZHG-LSDHHAIUSA-N	300.450	3.244	10	20	DGCD	
Cc1cccc(C(=O)N2CCCN(Cc3ccccc3O)CC2)c1	179556541	SOXAXYFENRHSSC-UHFFFAOYSA-N	324.424	3.049	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)N(C)CC2	180255929	PASKOSZFRBUBLB-UHFFFAOYSA-N	311.385	3.048	10	20	DGCD	
COc1cc(Cl)cc(CN2CCn3cccc3[C@H]2C)c1O	184672831	BZVGJHVQUHMKPX-LLVKDONJSA-N	306.793	3.433	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H]2CSC)c1O	184700057	BMNSDGJQFSFNBQ-GFCCVEGCSA-N	301.839	3.382	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@H](C)c2cc(C)ccc2O)cc1	185027436	KKOKJSOMKMSEPQ-CQSZACIVSA-N	312.413	3.301	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)Cc2ccc(O)cc2)c1	185351740	KWUXTIZIGNFHSQ-CHWSQXEVSA-N	301.386	3.388	10	20	DGCD	
CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)C1(C)C	185791561	UVJNNKZMMMWQJU-HUUCEWRRSA-N	321.417	3.154	10	20	DGCD	
CC(C)CCOCCNCc1cc(Br)ccc1O	227441897	JDHCOJFUCFYOFW-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
Cc1noc(CCCNCc2cc(-c3ccccc3)ccc2O)n1	264373672	MNOGHNMPJATMMF-UHFFFAOYSA-N	323.396	3.473	10	20	DGCD	
COCC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(C)o1	272210933	CJRJVTDJHFDGOL-INIZCTEOSA-N	301.386	3.390	10	20	DGCD	
COCCOc1ccccc1CN[C@@H](C)c1ccc(F)cc1O	273381783	IHKBMPPIRMZUPU-ZDUSSCGKSA-N	319.376	3.407	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCOC2CCOCC2)c(O)c1C	273467760	JDGGUFNMCACAQO-OAHLLOKOSA-N	307.434	3.245	10	20	DGCD	
COCCc1ccnc(N[C@@H](C)c2ccc(F)c(F)c2O)c1	287578303	QXTHLMYRKIFSIH-JTQLQIEISA-N	308.328	3.427	10	20	DGCD	
CC[C@@H](NCCCOCCOC)c1cccc(Cl)c1O	287876346	YELRQNQDUIMJRS-CQSZACIVSA-N	301.814	3.139	10	20	DGCD	
CN1CCC([C@H]2CCN(Cc3cccc(Cl)c3O)C2)CC1	290605301	WGKMVTGBPCHZNX-AWEZNQCLSA-N	308.853	3.209	10	20	DGCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]1c1cccnc1	291870265	JUWGODHBKYDGMM-QGZVFWFLSA-N	312.369	3.099	10	20	DGCD	
COc1ccc(CCN[C@@H]2CCc3cccc(O)c32)cc1F	297519369	CZAMFRDRZDOSRW-OAHLLOKOSA-N	301.361	3.360	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CCn4ccnc43)cc2)CC1	297600964	IAIXWMMELOQLLN-SFHVURJKSA-N	310.445	3.354	10	20	DGCD	
CNC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1	319708403	DNVVLTPSWWSAED-UHFFFAOYSA-N	309.413	3.259	10	20	DGCD	
Cc1c(CNC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)n(C)c2ccccc12	348701800	RSJRGJPGFLOGFX-OMWUSAIZSA-N	312.413	3.061	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2cccc(-n3cncn3)c2)c1	363859275	FJTZEVFPAXLDKD-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OCc3nnc4n3CCCC4)cc12	421195543	HYHLUCXFJZMAOT-UHFFFAOYSA-N	310.401	3.302	10	20	DGCD	
Cc1c(CNC(=O)[C@@H]2CCc3cccnc32)n(C)c2ccccc12	425278547	GNUPUMXLGYNVHL-MRXNPFEDSA-N	319.408	3.228	10	20	DGCD	
CCn1nncc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1O	527918861	FERLAAWUBVTELD-QMMMGPOBSA-N	315.204	3.161	10	20	DGCD	
Cc1cccc(C)c1CCNC(=O)/C=C\c1ccc(O)c(O)c1	588408372	XNAZMQLMKBXLDU-CLFYSBASSA-N	311.381	3.087	10	20	DGCD	
COc1ccc2nc(NC(=O)c3cc(O)cs3)sc2c1	731866635	UXTYSHKVIGDPGR-UHFFFAOYSA-N	306.368	3.324	10	20	DGCD	
C[C@H]1CCCN(C(C)(C)CNCc2ccc(N(C)C)c(F)c2)C1	733325464	NNISTBYTQZSRRW-HNNXBMFYSA-N	321.484	3.492	10	20	DGCD	
Cc1cc(CN2CC[S@](=O)[C@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1	736600174	SEZVQOOPAOBMBB-SOHPYSCWSA-N	323.502	3.339	10	20	DGCD	
COC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1F	746720971	RMVOCURJBKTRPX-UHFFFAOYSA-N	321.735	3.295	10	20	DGCD	
Cc1ccnc(CN(Cc2ccco2)Cc2ccccc2O)n1	756586183	MZEVDCHGWIDMIS-UHFFFAOYSA-N	309.369	3.286	10	20	DGCD	
CCCCC[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768462144	JXWSSEGVQGHWAD-WMLDXEAASA-N	305.418	3.363	10	20	DGCD	
C[C@@H](NC(=O)CSc1ccncc1)c1ccc(N(C)C)cc1	773018655	WMSNUQFNAURZJZ-CYBMUJFWSA-N	315.442	3.117	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@H]1CCCCN1C1CC1	775157873	KXGJWKQZHNWIPD-CQSZACIVSA-N	312.816	3.291	10	20	DGCD	
CN(c1ccc(CNC(=O)C2(C)COC2)cc1)C1CCCCC1	782606577	FBOBUTJKBWLHEE-UHFFFAOYSA-N	316.445	3.108	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SC[C@@H]1COC(C)(C)O1	785029366	MKTIXYFBBRWWEQ-ZDUSSCGKSA-N	304.415	3.331	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(CC2CCC2)CC2CC2)cc1	792793759	UPLVLKKTZVRFNZ-UHFFFAOYSA-N	315.461	3.474	10	20	DGCD	
CCC[C@@H](NCc1cccc(OC)c1O)[C@H](O)c1ccccc1	793241299	ODEJTUIHBWTTLQ-SJLPKXTDSA-N	315.413	3.393	10	20	DGCD	
CCc1[nH]ccc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	795054994	DNUJYFBGOMBFAZ-UHFFFAOYSA-N	311.429	3.448	10	20	DGCD	
CC(C)(CO)CNCc1ccc2c(c1)CCN2Cc1ccccc1	796335474	UMEUGYVIXFHVOA-UHFFFAOYSA-N	324.468	3.357	10	20	DGCD	
COc1cccc(O)c1CN1CCc2cc(F)cc(C)c2C1	800535803	HZBUBVJUQBMTEZ-UHFFFAOYSA-N	301.361	3.407	10	20	DGCD	
Nc1ccc([N+](=O)[O-])c(NCc2c(O)ccc3c2CCCC3)c1	811809118	YIIVAEOZSINJGW-UHFFFAOYSA-N	313.357	3.374	10	20	DGCD	
C[C@H](NC[C@@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1O	815577974	DYSJEFQHBDEJPU-LKFCYVNXSA-N	303.324	3.223	10	20	DGCD	
C[C@H]1C[C@@H](C(=O)O)CN(Cc2ccc(N3CCCCC3)cc2)C1	817881996	TXLUJALTDATQPD-DOTOQJQBSA-N	316.445	3.220	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCCN2)cc1F	817901174	SVONSIRNCZUOKW-KBAYOESNSA-N	319.468	3.292	10	20	DGCD	
CC[C@H](NCc1ccc(OCc2ccccc2)cc1O)[C@@H](C)O	824922234	YJCAYKQJYYWYDK-KDOFPFPSSA-N	315.413	3.220	10	20	DGCD	
Cc1cncc(/C=C/C(=O)N2C[C@H](CC(=O)O)c3ccccc32)c1	832985914	CPFGYCXCJHJAHJ-LFAOLKIESA-N	322.364	3.008	10	20	DGCD	
COc1cccc(CCN[C@@H]2CCc3cccc(O)c32)c1OC	834517919	AKSXCQNTJBZTSC-OAHLLOKOSA-N	313.397	3.229	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2ccc(S(C)(=O)=O)o2)cc1	839579804	JPKZSLMBQPEDSJ-UHFFFAOYSA-N	323.414	3.107	10	20	DGCD	
CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	840889943	JJTOZXHINYSFQQ-IUCAKERBSA-N	319.232	3.263	10	20	DGCD	
CC[C@@H]1Cc2ccccc2CN1C(=O)NCCc1ccc(N)cc1	841960161	WOPWEMKIUZKZLC-LJQANCHMSA-N	323.440	3.358	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)Cc2cccc(OC)n2)c1	845972497	QZQXSKOGOXFJRD-CHWSQXEVSA-N	316.401	3.086	10	20	DGCD	
CO[C@H]1CCC[C@H](CC(=O)NCc2cc(Cl)ccc2O)C1	846474677	ZCWVYOCRSMVSRV-FZMZJTMJSA-N	311.809	3.257	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](C)C(=O)OC(C)(C)C	848926061	KPMVDLJABAPHGX-AWEZNQCLSA-N	306.450	3.128	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2CO[C@@H](C)C2)c(C)n1-c1ccccc1	863164325	GEOVHANJSJQWGW-YOEHRIQHSA-N	312.413	3.135	10	20	DGCD	
CCOCc1cc(CNCC[C@H](O)C2CCCC2)ccc1OC	865874770	IHVHAYRPCYCAAX-SFHVURJKSA-N	321.461	3.263	10	20	DGCD	
CC[C@@H](N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1ccccc1O	866464276	VEEULWQXBIKOCU-XBFCOCLRSA-N	305.340	3.381	10	20	DGCD	
C[C@@H](NC(=O)NCC(C)(C)N1CCCCC1)c1ccccc1O	867982471	BYYFJTDETUYHSF-CQSZACIVSA-N	319.449	3.017	10	20	DGCD	
C[C@H](NCCn1ccc(C(F)(F)F)n1)c1ccc(F)cc1O	872110574	ZMUCNABYWFTIQT-VIFPVBQESA-N	317.286	3.097	10	20	DGCD	
CCCCN(Cc1cn(CCC)nn1)Cc1ccccc1O	877503469	MWNPHCKDTSUPKF-UHFFFAOYSA-N	302.422	3.196	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N[C@@H]1CCCC[C@H]1C	879647891	PITCEMCBUKOSQC-HGTKMLMNSA-N	304.434	3.126	10	20	DGCD	
Cc1cc(C)cc([C@@H](O)CNCc2cc(F)cc(F)c2O)c1	883112165	BOADKUXNGPYVEA-INIZCTEOSA-N	307.340	3.110	10	20	DGCD	
C[C@H](NCc1cccc2c1OCCO2)c1c(O)cccc1F	886548024	WGQVHVCZNNSHPX-NSHDSACASA-N	303.333	3.153	10	20	DGCD	
CCN(CC(=O)N(C(C)C)C(C)C)c1ccc(OC)c(OC)c1	921060968	GSWUTIYWORZWNC-UHFFFAOYSA-N	322.449	3.176	10	20	DGCD	
C[C@H](NCc1ccc(N)cc1)c1ccc(N2CCCC2=O)cc1	1120371342	WCWFYEBORWEZHP-AWEZNQCLSA-N	309.413	3.246	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2cc(C)oc2C)c1O	1322149844	PAMXPVGRRUKXIT-SNVBAGLBSA-N	320.345	3.370	10	20	DGCD	
CCOc1ccc2c(c1)CN(Cc1cc(F)ccc1O)CC2	1323551026	LFXFYBXJZUTVHZ-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
COc1cccc(CN2Cc3ccc(O)cc3C3(CC3)C2)c1O	1324039113	KBWUSCDIRFZLSA-UHFFFAOYSA-N	311.381	3.154	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@H]1c2ccccc2C[C@@H]1O	1327149135	CZLVPKIUZYCLGH-NKZDFZCZSA-N	309.409	3.497	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@H]2CCCC23CCOCC3)cc1F	1331521733	XTDGWLUBWUSLLL-KRWDZBQOSA-N	324.415	3.470	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc2c1CCN2	1340016217	DBFLDFBPFCURNW-UHFFFAOYSA-N	310.397	3.413	10	20	DGCD	
C[C@H](NCc1ccccc1CC(=O)O)c1c(O)cccc1F	1593304026	KLTMWAYAIDBDTP-NSHDSACASA-N	303.333	3.009	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N(CCC(=O)O)c1ccccc1C	1600604312	CNRQFDKBGJHZQJ-BQYQJAHWSA-N	324.380	3.220	10	20	DGCD	
CC[C@H](C)[C@@H](CC(=O)O)NCc1ccc(N(C)CC)cc1C	1776953971	YSXGPWJYZGBGTG-SUMWQHHRSA-N	306.450	3.430	10	20	DGCD	
COc1ccc2c(c1)CCN2[C@@H](C(=O)O)c1cc(F)cc(F)c1	1777373307	IBQXXVINXKJSPB-MRXNPFEDSA-N	319.307	3.162	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)COc1ccccc1F	66096742	IIDSBUTXWSIWLV-UHFFFAOYSA-N	317.360	3.349	10	20	DGCD	
COc1cccc(CNC(=O)c2cnc(C(C)(C)C)s2)c1O	68489393	WMBWVEZWPGLCJM-UHFFFAOYSA-N	320.414	3.085	10	20	DGCD	
C[C@@H](CCC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1	122106781	NHRJPRIJVZYWJS-AWEZNQCLSA-N	313.397	3.340	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H](OC)C(C)(C)C)CC2)cc1	154941805	GUANQMPPGQLZNA-GOSISDBHSA-N	320.477	3.315	10	20	DGCD	
COC(C)(C)C[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	173756583	FMIHEHWTJKOEIF-AWEZNQCLSA-N	321.465	3.098	10	20	DGCD	
Cc1cc(Br)cc(CN2CCO[C@H](C)[C@@H]2C)c1O	180256903	NHSBITOGBUUBSP-WDEREUQCSA-N	314.223	3.072	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(c1)C(=O)CCC2	180846704	VJHVVKHDHZZWDS-WEVVVXLNSA-N	323.348	3.269	10	20	DGCD	
O=C(Cc1ccncc1)N(Cc1ccco1)Cc1ccccc1O	182108660	CRBGMCMAWSPHSJ-UHFFFAOYSA-N	322.364	3.152	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCCOC(C)C)cc1F	184280483	LNOHVEOREQCBGU-UHFFFAOYSA-N	324.440	3.493	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1O	191183575	ACXLZIHDMWEBJO-MFKMUULPSA-N	310.344	3.217	10	20	DGCD	
Cc1cccc(C[C@@H](CO)N[C@H](C)c2ccc(F)cc2O)c1	191612129	QGXZKQDQEJJSGE-CJNGLKHVSA-N	303.377	3.094	10	20	DGCD	
CC1(C)C[C@@H](NC(=O)Cc2ccc(N)cc2)c2ccccc2O1	236757000	XWHNYCQKGXISBC-MRXNPFEDSA-N	310.397	3.230	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(C)(C)C)on1	266002393	FDLYYPWNRNYJAJ-UHFFFAOYSA-N	315.417	3.310	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](CO)c2ccc(Cl)cc2)c1	273548798	ZXICVYUDXANHBG-BDJLRTHQSA-N	321.804	3.438	10	20	DGCD	
CCOc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1O	278573479	DAXZOALPEMULBZ-UHFFFAOYSA-N	318.329	3.320	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc(C)c(C)c1O)C(C)C	296538094	QWFSSASGDMZKRG-ZBFHGGJFSA-N	306.450	3.163	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cc(NCC2CC2)ncn1	301822304	KOYQVEVLKADRRH-UHFFFAOYSA-N	311.433	3.285	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC3(CCC3)CC2)c([N+](=O)[O-])c1	308748500	MATAYURWZTXOMS-HYXAFXHYSA-N	316.357	3.463	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC1C[C@@H]2CC[C@H](C1)N2C	322553629	BPUNGLOXQYPGPE-SDKNFDLMSA-N	300.446	3.464	10	20	DGCD	
C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1O	370372914	GDHOZIJDSWMHQU-YVEFUNNKSA-N	300.377	3.369	10	20	DGCD	
Cc1ccccc1[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	725780404	UMADJSAQFSPHND-CQSZACIVSA-N	311.381	3.419	10	20	DGCD	
CCc1nc(C)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)s1	728983431	ZTGZDEJFVQWGMQ-VIFPVBQESA-N	320.414	3.219	10	20	DGCD	
C[C@H](OCCCNC(=O)c1cc(O)cs1)c1ccccc1	731867851	YGSGHTULAMXWHW-LBPRGKRZSA-N	305.399	3.351	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H]2CCCCN2CC)cc1	732229973	RXBJKMNABMUOOR-LJQANCHMSA-N	303.494	3.497	10	20	DGCD	
C[C@H]1C[C@@H](c2ccccc2)CN1Cc1cc2c(cc1O)OCO2	734477167	LWCCUDCUOUJOFF-DZGCQCFKSA-N	311.381	3.499	10	20	DGCD	
CSCCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	736358066	QKVIAEDXRCFUEZ-UHFFFAOYSA-N	323.462	3.428	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1C	745788198	GUHOPGQVKRBEOJ-LSDHHAIUSA-N	315.461	3.399	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccoc1	753295762	YWTRLIWWWJJGHF-UHFFFAOYSA-N	300.402	3.327	10	20	DGCD	
CCC[C@H](C)C(=O)NCc1cccc(Br)c1O	765765873	UFUGUUUXJIEDJT-VIFPVBQESA-N	300.196	3.207	10	20	DGCD	
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cc(O)cs1	765863895	BUVUNSUOOIBQBH-JSGCOSHPSA-N	303.383	3.104	10	20	DGCD	
CC[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N(C)C)cc1	766332367	NJPOYBRVSHLWKG-FUHWJXTLSA-N	318.461	3.354	10	20	DGCD	
CC(C)CC[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768462484	LXBGOYKFDNJPAH-RHSMWYFYSA-N	305.418	3.219	10	20	DGCD	
CN(CC1CC1)C[C@H]1CCN(Cc2cc(Cl)ccc2O)C1	769513594	CHKFYKNUQXBQAW-CQSZACIVSA-N	308.853	3.209	10	20	DGCD	
CN1CCN(c2ccc(CNCC34CCC(CC3)C4)cc2)CC1	771858541	QSMZOAFXOBUSIR-UHFFFAOYSA-N	313.489	3.108	10	20	DGCD	
OCCN(CCc1ccccc1)Cc1cc(Cl)cc(F)c1O	775695852	DTBJWRJLTCHSRK-UHFFFAOYSA-N	323.795	3.222	10	20	DGCD	
CN(C)[C@@H](CNCc1cc(Cl)cc(F)c1O)c1ccco1	775797881	CRLHWMNBBYIUNU-ZDUSSCGKSA-N	312.772	3.170	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCO[C@@H](C)C2)cc1	776294007	LSSFPRSQTKSFHU-RDJZCZTQSA-N	318.461	3.306	10	20	DGCD	
CC(C)COC(=O)CN(Cc1ccccc1O)C1CCCC1	776581875	IHNNHAGWUYFJON-UHFFFAOYSA-N	305.418	3.336	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2CCO)cc1	779283729	JLSVQHODOIQPFB-QGZVFWFLSA-N	312.413	3.081	10	20	DGCD	
CCOc1ccc(NC(=O)c2cccc(O)c2O)cc1Cl	790548100	UMYHFAXJXSPCCG-UHFFFAOYSA-N	307.733	3.402	10	20	DGCD	
COc1ccc(CNC(=O)C(C)(C)Cc2ccccc2)c(O)c1	794379057	MOYVQELXJJGKGS-UHFFFAOYSA-N	313.397	3.286	10	20	DGCD	
COc1ccc(CNC(=O)c2c(F)cccc2Cl)c(O)c1	794382626	ZJFJUEYVIJDFPQ-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
C[C@H](N[C@H](CO)CC1CCC1)c1cc2c(cc1O)CCCC2	794832878	IDGOOOXNFXXDBU-GUYCJALGSA-N	303.446	3.473	10	20	DGCD	
CCn1ncnc1CN(CCC(C)C)c1ccc(OC)cc1	796502090	AXSXZEGFBXKGHY-UHFFFAOYSA-N	302.422	3.359	10	20	DGCD	
COc1ccc(O)c(CNC[C@H]2CCCN2C2CCCCC2)c1	798088124	HXHKDMZQJLTOJH-QGZVFWFLSA-N	318.461	3.288	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1[C@H]2CCC[C@H]21	807836999	XGIVIKHYKDIYRO-IAZYJMLFSA-N	300.185	3.361	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCCNC(=O)C(C)C)c1O	808709811	ZPZFPULYGAQLLX-LBPRGKRZSA-N	312.841	3.167	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)ccc2O)c2ccccc2C(=O)N1	811508754	ATTJAASKKYUHPW-NSHDSACASA-N	316.788	3.184	10	20	DGCD	
C[C@H](NC(=O)CCCC1CC1)c1ccc(N2CCOCC2)cc1	812484196	XSPKADFAMJFVTE-HNNXBMFYSA-N	316.445	3.281	10	20	DGCD	
CC(C)[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCCO1	816676281	WWAQJFXMYMIRLS-OAHLLOKOSA-N	301.789	3.432	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc12	817762297	RUKVBYBILAEWIV-DLBZAZTESA-N	323.396	3.238	10	20	DGCD	
C[C@H](N[C@H]1CC12CCNCC2)c1ccc(N2CCCCC2)cc1	817976366	KRVAEWKAZOTSGJ-LPHOPBHVSA-N	313.489	3.470	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCCc3c2cnn3C)cc1Cl	825108227	QSYXCXFAKUAXMQ-AWEZNQCLSA-N	305.809	3.255	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCCc3ccc(Cl)c(F)c32)cn1	839436910	BAHSEXLVELAJAU-DAXSKMNVSA-N	319.767	3.205	10	20	DGCD	
Fc1cc(CN[C@H]2CCC23CCC3)cc(F)c1N1CCOCC1	840758630	PWHLCZVIZHSMBC-INIZCTEOSA-N	322.399	3.224	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CC[C@@H](C2CCC2)C1	840978678	RCBFVAJDPWTNCE-GOSISDBHSA-N	300.446	3.145	10	20	DGCD	
CC[C@@H](C)C[C@H](CO)NCc1cc(Br)ccc1O	842753750	IXLWSRHKYVISIJ-ZWNOBZJWSA-N	316.239	3.041	10	20	DGCD	
CC(C)OCCCCNC(=O)NCc1cc(Cl)ccc1O	845105741	ASSYTGRUGNRIOK-UHFFFAOYSA-N	314.813	3.050	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1cnc(C2CC2)s1	846472472	KLMZABPSQWPMJJ-UHFFFAOYSA-N	308.790	3.310	10	20	DGCD	
Cc1cc(O)c(CNC[C@H]2CCCN2CC(F)F)cc1Cl	862468282	FCXSGJRXBBHDHR-GFCCVEGCSA-N	318.795	3.173	10	20	DGCD	
CC(=O)N1CCCN(Cc2ccc(C)cc2O)c2ccccc21	877535419	MPENCQJKWPMITL-UHFFFAOYSA-N	310.397	3.464	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)Nc1ccc(Cl)cn1	879648164	AOTGOOWKNDMBML-MNOVXSKESA-N	319.792	3.118	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1ccccc1O[C@@H]1CCOC1	883042307	SBHWLMBZWFDGQH-CYBMUJFWSA-N	321.323	3.450	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)Cc2ccc(OC)c(OC)c2O)C1(C)C	892102055	REYOSEVFFMAJKU-LSDHHAIUSA-N	323.433	3.045	10	20	DGCD	
COc1ccc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)c(O)c1OC	893497353	ISSMPSIUICIPKO-NWANDNLSSA-N	305.418	3.420	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CCOC(C)C)cc1	914720318	YMTXKTPUQANZNE-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
O=C(CCNCc1ccc2c(c1)CCCO2)Nc1ccccc1	921736141	DDASRKWFHYLYQD-UHFFFAOYSA-N	310.397	3.130	10	20	DGCD	
CC(C)OC(=O)[C@H](C)N(C)Cc1ccc(N2CCCC2)cc1	1337042816	SMUULXJABLAQNB-HNNXBMFYSA-N	304.434	3.059	10	20	DGCD	
O=C(O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1	1602369615	FRKCEZHFYIXVPD-UHFFFAOYSA-N	315.760	3.122	10	20	DGCD	
CCC(=O)N1CCCC[C@H]1CCNCc1ccc(OC)c(C)c1	1753769718	UIYQTGTUFKFANR-KRWDZBQOSA-N	318.461	3.274	10	20	DGCD	
CCN(C)c1ccc(CN[C@H]2CC[C@](C)(C(=O)O)C2)c(C)c1	1776856937	WTWAIMRIHHJSNF-YJBOKZPZSA-N	304.434	3.184	10	20	DGCD	
C[C@H](Cn1ccnc1)NCc1cc(Cl)cc(Cl)c1O	37158029	OBPSPBCBRBUUEO-SECBINFHSA-N	300.189	3.074	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(OC)c(F)c2)c1	182342345	KWQCFDKPNLYTSN-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1O	182477186	WGLDCJADAZYAIL-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2cccc(F)c2)cc1	183805852	BDIRHACGWHLCGW-UHFFFAOYSA-N	303.333	3.014	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1c(O)cccc1F	184320772	OKHITBVGRJHZSI-UHFFFAOYSA-N	303.333	3.289	10	20	DGCD	
C[C@H](CCC1CC1)NCc1ccc(N2CCOCC2)c(F)c1	184566793	YYQCHAUAVVSFFD-CQSZACIVSA-N	306.425	3.331	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@@H](C)c1cc2c(cc1O)CCCC2	185155161	OHRKERBNBXGFNW-KBPBESRZSA-N	318.461	3.226	10	20	DGCD	
CC[C@@H]1[C@H](C)CCN1C(=O)NCCCSc1nccs1	185648597	SKLDGNWXFCZZQB-VXGBXAGGSA-N	313.492	3.455	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@@H](C)c2ccc(F)c(F)c2O)c1	187714361	HPKSQDURIGXTTG-BONVTDFDSA-N	323.339	3.063	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1	264932734	BLSCFJZTQUQHKB-ZDUSSCGKSA-N	310.397	3.436	10	20	DGCD	
CC(C)COc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1	272301866	IWWNVIRLPFNQSB-UHFFFAOYSA-N	315.369	3.063	10	20	DGCD	
C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1O	273432606	WCXGFSSMJLHHQC-YLWLKBPMSA-N	318.122	3.273	10	20	DGCD	
CC(C)N(Cc1ccccc1O)C[C@H](O)COc1ccccc1	278801920	XSHYQJJRLPGMMT-KRWDZBQOSA-N	315.413	3.043	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCCO1	282388652	DKMHIPBDOKSLML-MRXNPFEDSA-N	305.418	3.480	10	20	DGCD	
CC[C@H](NCc1ncnn1C(C)(C)C)c1ccc(N(C)C)cc1	282490287	HRYLVTZCTHIYJK-INIZCTEOSA-N	315.465	3.340	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ncoc1C	283390698	DUOCKBUVSMVTEP-UHFFFAOYSA-N	317.389	3.201	10	20	DGCD	
CC[C@H](NCc1csc(COC)n1)c1ccc(F)cc1O	289901895	TYIVYGYMKLJCCO-ZDUSSCGKSA-N	310.394	3.375	10	20	DGCD	
Cc1ccc([C@H](C)N[C@@H]2COc3ccccc3[C@H]2O)c(O)c1C	290490647	XTTPYHWLMVXZOC-URKNILKWSA-N	313.397	3.154	10	20	DGCD	
CN1CCCc2cc(CNCc3cn(C)nc3C(F)F)ccc21	291105014	BGHKWEQJDRBLHU-UHFFFAOYSA-N	320.387	3.030	10	20	DGCD	
CCOc1ccc(N(CC)Cc2nnc3n2CCCC3)cc1	299567571	GUMAOOYWHSUVKE-UHFFFAOYSA-N	300.406	3.040	10	20	DGCD	
Cc1c(CNC(=O)N[C@H]2CSC2(C)C)n(C)c2ccccc12	338479490	RYJNQPGTUMABLD-HNNXBMFYSA-N	317.458	3.180	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2CSC[C@@H]2C)n(C)c2ccccc12	346315772	IPXGXFGNMOYXTD-SMDDNHRTSA-N	317.458	3.037	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N)cc2)CCN1Cc1ccccc1	382664936	LNFLCYNSIPQIFT-QGZVFWFLSA-N	309.457	3.365	10	20	DGCD	
CCO[C@@H]1CCCN(Cc2ccc(Br)cc2O)C1	691678692	PQJPIFMWAITZHR-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC(OCc2ccccc2)CC1	731868916	DRAXVEGDKYTFOP-UHFFFAOYSA-N	317.410	3.275	10	20	DGCD	
O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cc(O)cs1	734555025	PTDKUZKURSWEGW-MRXNPFEDSA-N	317.410	3.351	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\c1ccccc1	742952573	MCSOENRPQPTLKO-FLIBITNWSA-N	308.381	3.191	10	20	DGCD	
C[C@H](NC1CCN(CC2CC2)CC1)c1cc(F)cc(F)c1O	756431626	CQAWYVQPOOGYLZ-NSHDSACASA-N	310.388	3.195	10	20	DGCD	
C[C@@H](NC[C@H](O)c1c(F)cccc1F)c1cc(F)ccc1O	756741847	XQDLROJHZYSICU-PSLIRLAXSA-N	311.303	3.194	10	20	DGCD	
CCN(CC)CCOCCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	757675107	ZYBJTKDQRPVOJV-DZGCQCFKSA-N	324.440	3.028	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(CC(C)C)C2CC2)cc1Cl	757857140	LFJMORXOSSJTNN-UHFFFAOYSA-N	324.852	3.432	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC3(CO)CCC3)c2C)c1	767891900	WERSYPBYMWUPIN-UHFFFAOYSA-N	312.413	3.047	10	20	DGCD	
COc1cccc(NC(=S)NNc2c(C)cccc2F)c1	769763015	GTDNSGSAXFXLRZ-UHFFFAOYSA-N	305.378	3.456	10	20	DGCD	
CCO[C@H](CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C	773023385	XGDQHRQHLXKRIV-RHSMWYFYSA-N	306.450	3.381	10	20	DGCD	
CCOC(=O)C1(N(C)Cc2cccc(C)c2O)CCCCC1	775724963	PDWHTFXMRAWOHH-UHFFFAOYSA-N	305.418	3.398	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc1N(C)C	776163399	AOEHKTQNGPCXEB-QXAKKESOSA-N	314.473	3.498	10	20	DGCD	
O=C(OCc1ncc(-c2ccccc2)o1)c1cccc(O)c1O	776284074	RYQRVIYCWJBGHP-UHFFFAOYSA-N	311.293	3.110	10	20	DGCD	
COc1cc(OC)cc(N(C)Cc2ccc(N(C)C)cc2)c1	786578762	IMZMUSLZTFFZJY-UHFFFAOYSA-N	300.402	3.406	10	20	DGCD	
CC(C)[C@@H](CNCc1ccc(N(C)C)cc1)c1ccnn1C	788076392	MVUXKQFETALFPC-QGZVFWFLSA-N	300.450	3.016	10	20	DGCD	
CC[C@H](C)n1ncc(NCc2cc3c(cc2O)OCO3)c1C	791003687	GABSPFZZNKUPMM-JTQLQIEISA-N	303.362	3.209	10	20	DGCD	
COc1ccc(CNC(=O)NCc2c(C)cccc2C)c(O)c1	793008929	MYMWHZWKTXWDLI-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
COc1ccc(CNC(=O)CCc2c[nH]c3ccccc23)c(O)c1	794376894	LJONBFXUCGUTSV-UHFFFAOYSA-N	324.380	3.131	10	20	DGCD	
CC[C@H](NCCCN(C)CC(F)(F)F)c1ccc(F)cc1O	796692582	GGOJVVIXVQBWKP-ZDUSSCGKSA-N	322.346	3.456	10	20	DGCD	
C[C@@H](NC1CCN(C)CC1)c1cccc(C(F)(F)F)c1O	798180083	YOWRBIJJKQMHIZ-SNVBAGLBSA-N	302.340	3.156	10	20	DGCD	
CCOc1ccc2nc(Sc3ncc([N+](=O)[O-])s3)[nH]c2c1	799926076	YCXMMRZSAQRIEX-UHFFFAOYSA-N	322.371	3.478	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc2nn[nH]c2c1	801548200	BPNRDLKHIUHCPX-UHFFFAOYSA-N	324.384	3.106	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1ccccc1O	808724515	WKRRTXGSWFMMPM-XOYOTBSWSA-N	316.445	3.080	10	20	DGCD	
CC[C@H](NC[C@H](C)N(C)C)c1ccc(C(F)(F)F)cc1O	810216337	SZLQRDYUETZFQD-GWCFXTLKSA-N	304.356	3.402	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CSC2CC2)cc1F	823213371	ICMXHMDAYJRLJK-UHFFFAOYSA-N	310.438	3.184	10	20	DGCD	
COc1cc(CN2CCOC[C@H]2C2CC2)c(O)c(C(C)(C)C)c1	824861956	FBLXLTIQDJVBBM-KRWDZBQOSA-N	319.445	3.309	10	20	DGCD	
COc1cc(CN2CCC[C@@]2(C)CO)c(O)c(C(C)(C)C)c1	825628978	OMQYZRVJHLMOEI-SFHVURJKSA-N	307.434	3.045	10	20	DGCD	
C[C@@H](NC(=O)c1nnc(C(C)(C)C)s1)c1ccccc1O	827947002	XYKIIZWZLAQCOA-SECBINFHSA-N	305.403	3.032	10	20	DGCD	
CN(C)c1ccc(CNC2(CC(=O)O)CCCCC2)cc1F	830639603	JWHUXZACARIKHX-UHFFFAOYSA-N	308.397	3.159	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1	839468155	QHCKLBIHUMUIBZ-RBUKOAKNSA-N	324.424	3.220	10	20	DGCD	
CCCN1CCC(N(C)Cc2ccc(N(C)C)cc2C)CC1	840911405	ZLLGANVFPFPMRF-UHFFFAOYSA-N	303.494	3.367	10	20	DGCD	
COc1cc(CN2CC[C@H](Oc3ccccc3)C2)c(O)cc1C	842615894	BKTWDNBGXPURSU-KRWDZBQOSA-N	313.397	3.363	10	20	DGCD	
COc1nc(N[C@H](C)c2ccc(N(C)C)cc2)ccc1C(=O)O	844211974	MXORULFFJCTKNY-LLVKDONJSA-N	315.373	3.028	10	20	DGCD	
CCCC(O)(CCC)CC(=O)NCc1cc(Cl)ccc1O	846476223	LWYUDTCGXZRGSI-UHFFFAOYSA-N	313.825	3.383	10	20	DGCD	
Cc1cnc2cc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccn12	847760588	MDPMPLILRUIDPH-AWEZNQCLSA-N	322.412	3.200	10	20	DGCD	
CC(C)Oc1nc(N(C)Cc2ccccc2O)ccc1[N+](=O)[O-]	848674557	FTOCCRVYCTYPBT-UHFFFAOYSA-N	317.345	3.119	10	20	DGCD	
CCc1cccc(CN[C@H](C[S@@](C)=O)c2ccccc2)c1O	848901462	SQBWVVFDTQBQFI-VGOFRKELSA-N	317.454	3.164	10	20	DGCD	
Cc1cc(O)c(CN(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1C	862540364	CZTFMPLYNCUFDB-CQSZACIVSA-N	322.449	3.354	10	20	DGCD	
COc1cccc(CNc2cccc(N=S(C)(C)=O)c2)c1O	864015102	FADBKJYNNKMFKP-UHFFFAOYSA-N	320.414	3.372	10	20	DGCD	
Cc1csc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)n1	868205349	YSWQFBPIBOBTHU-MNOVXSKESA-N	305.403	3.279	10	20	DGCD	
CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C1CC1	877539250	LTLHOXRONPAYCC-IBGZPJMESA-N	314.473	3.268	10	20	DGCD	
CCC[C@@H](O)CCN[C@@H](C)c1ccc(Br)cc1O	927014496	CGXVKACOGDICPE-CMPLNLGQSA-N	316.239	3.356	10	20	DGCD	
CN1CCN(c2ccc(CN[C@@H]3CCC(C)(C)C3)cc2F)CC1	1116440410	SSLUUTVZGIVFGN-MRXNPFEDSA-N	319.468	3.246	10	20	DGCD	
CC[C@]1(C)C[C@@H]1C(=O)NCCCNCc1ccc(OC)c(C)c1	1169766463	RHPSRGGBUICJCT-VQIMIIECSA-N	318.461	3.036	10	20	DGCD	
CC(C)c1nc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)n[nH]1	1331504696	QJGFRKLSISHZEO-JTQLQIEISA-N	323.391	3.123	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CCCC(C)(C)CC1	1338749634	IXFGAZNCVIFNCQ-UHFFFAOYSA-N	306.435	3.266	10	20	DGCD	
Cc1cccc([C@H](NCc2ccc(N(C)C)cc2C)C(=O)O)c1	1574394882	HNTFKIUOTJFSOH-SFHVURJKSA-N	312.413	3.285	10	20	DGCD	
C[C@H](NC(=O)Nc1cc(C(=O)O)ccc1F)c1ccccc1O	1599893770	DJDJINDBJLPUAH-VIFPVBQESA-N	318.304	3.112	10	20	DGCD	
CN(C/C=C/c1cccc(F)c1)c1ccc(OCC(=O)O)cc1	1606117784	QKJGGOXGZIDWAT-HWKANZROSA-N	315.344	3.439	10	20	DGCD	
O=C(O)c1cc2ccccc2c(CN2CCCSCC2)c1O	1610818539	IUMZBGOOBMSYKV-UHFFFAOYSA-N	317.410	3.183	10	20	DGCD	
CCCC[C@@](C)(NCc1ccc(OC)c(COCC)c1)C(=O)O	1776769937	URZBFQSDFVHWHQ-GOSISDBHSA-N	323.433	3.355	10	20	DGCD	
CCOc1cccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)c1O	91960312	QQROXWRHXDPXKM-GOEBONIOSA-N	315.417	3.071	10	20	DGCD	
Cc1cnc(NC(=O)NCc2ccc3c(c2)CCCN3C)s1	120078202	LVBHRHBDIOEIFQ-UHFFFAOYSA-N	316.430	3.156	10	20	DGCD	
Oc1cc2c(cc1CNc1ccc(-c3cnco3)cc1)OCO2	120138429	SXFRDKLPPYDSCF-UHFFFAOYSA-N	310.309	3.388	10	20	DGCD	
C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1	124834066	DXZLOSPUMDRPRB-YJBOKZPZSA-N	313.445	3.441	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)COc2cccc(C)c2)cc1F	131426194	GNCJBNJPKJPFND-HNNXBMFYSA-N	319.376	3.019	10	20	DGCD	
CC[C@H](NC[C@@H]1CCN(C2CC2)C1)c1ccc(N(C)C)cc1	152430539	YDUAXUQRACYFKK-KXBFYZLASA-N	301.478	3.278	10	20	DGCD	
C[C@@H]1Oc2ccc(N[C@@H](C)c3cc(F)ccc3O)cc2NC1=O	176982930	NRIWZRLSKLVOSX-UWVGGRQHSA-N	316.332	3.424	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(O)cc1F	181200635	NNXGLKBEIFHBLO-UHFFFAOYSA-N	303.333	3.289	10	20	DGCD	
C[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1ccc2ccccc2c1O	181234576	NJWFXNYZLJONKR-QWHCGFSZSA-N	314.429	3.499	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC2(CN(C)C)CCCC2)c1	183950824	NWIPGZUPNYVTDV-CQSZACIVSA-N	306.450	3.173	10	20	DGCD	
COc1ccc(OCCN[C@H](C)c2ccc(F)cc2O)cc1	184903620	RGSIVJOGINHYFX-GFCCVEGCSA-N	305.349	3.270	10	20	DGCD	
C[C@@H](NCCCNc1ccccn1)c1ccc(F)c(F)c1O	187750516	RUWSCQRWCUVWEQ-LLVKDONJSA-N	307.344	3.218	10	20	DGCD	
C[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O	228792505	MTXOBJCILKRUEW-ZDUSSCGKSA-N	320.433	3.442	10	20	DGCD	
C[C@@H](C(=O)N(C)C1CCCCC1)N(C)Cc1ccccc1O	269605812	CFABGYFIBSZMSU-AWEZNQCLSA-N	304.434	3.004	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1	270869710	JMIDBVGSHZFNFD-ZBFHGGJFSA-N	320.433	3.127	10	20	DGCD	
Cc1cc(C(=O)N(C)CCCCCO)c(C)n1-c1ccccc1	279355237	CJNCBCQIABFDIP-UHFFFAOYSA-N	314.429	3.329	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(CC)n[nH]1	282486011	MDJKTMHIXUOOBJ-UHFFFAOYSA-N	301.390	3.120	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F	287360785	OAEGRMVDMICFRB-MNOVXSKESA-N	320.330	3.264	10	20	DGCD	
OC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCC1(F)F	291317086	SGADJDFJIVMZTN-INIZCTEOSA-N	324.415	3.126	10	20	DGCD	
CC(C)(C)OC(=O)c1cccc(NCc2ccccc2O)n1	292623663	ALKXDOYIGONSOO-UHFFFAOYSA-N	300.358	3.355	10	20	DGCD	
CCC[C@H](CNC(=O)N(CC)Cc1ccc(N(C)C)cc1)OC	297693213	QQMBKUOTQKCWHV-QGZVFWFLSA-N	321.465	3.099	10	20	DGCD	
CC[C@@H](C)[C@](C)(O)CNCc1cccc(Br)c1O	304033565	GYJYEMAGRXSAEJ-QMTHXVAHSA-N	316.239	3.041	10	20	DGCD	
Cc1c(CNC(=O)CC[C@H]2CC[C@H](C)O2)n(C)c2ccccc12	348656991	BGKCSFZFJLYPHV-DZGCQCFKSA-N	314.429	3.451	10	20	DGCD	
Cc1c(CNC(=O)NC[C@@H]2CCCS2)n(C)c2ccccc12	349665400	ITLVZWWRHZBWJS-ZDUSSCGKSA-N	317.458	3.182	10	20	DGCD	
O=C(NCc1ccccc1O)c1csc(-c2ccoc2)n1	731051824	QYEJXLUVGZDVAF-UHFFFAOYSA-N	300.339	3.039	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=S)NC(C2CC2)C2CC2)c1	734760681	QOGUYJLCMWFGJJ-JTQLQIEISA-N	320.458	3.115	10	20	DGCD	
O=C(/C=C/c1cccnc1)N(CCN1CCCC1)c1ccccc1	739650588	WLDUPAGGPCWICS-ZHACJKMWSA-N	321.424	3.224	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C(C)=C(C)C)CC2)cc1	751121047	YEYHRESDAUDCAF-UHFFFAOYSA-N	302.418	3.137	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NC2CC(C)C2)cc1	753024359	VGRYERKMBPZXRS-UHFFFAOYSA-N	303.450	3.473	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1C	756475896	PKLJIUOGZCNRNE-HOTGVXAUSA-N	324.424	3.465	10	20	DGCD	
COCC[C@@H](C)N[C@H](C)c1cc(Br)c(F)cc1O	756528747	WOVKGYLXFVFGGF-RKDXNWHRSA-N	320.202	3.369	10	20	DGCD	
C[C@@H](NC[C@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1O	756771331	VKXKXBDQAWILPS-ADLMAVQZSA-N	319.351	3.155	10	20	DGCD	
CN(CC1CC1)C[C@@H]1CCN(Cc2c(O)cccc2Cl)C1	769516421	UWIKJASKZZIUJY-AWEZNQCLSA-N	308.853	3.209	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@@]2(C1)OCc1ccccc12	770665022	NLYIPHDJWUNMCA-IBGZPJMESA-N	311.381	3.032	10	20	DGCD	
CCC(C)(C)N[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	775410244	KLCGYIYWUGTZDX-KGLIPLIRSA-N	305.466	3.097	10	20	DGCD	
CC(C)[C@@H](CC(F)(F)F)NCc1cc([N+](=O)[O-])ccc1O	782543219	FYIHHZZHPATYEW-LLVKDONJSA-N	306.284	3.367	10	20	DGCD	
COc1cc(-c2nc3ccc(Cl)cc3n2C)cc(O)c1O	788333780	QENSWGOGTUFHRJ-UHFFFAOYSA-N	304.733	3.314	10	20	DGCD	
C[C@@H](NC[C@H]1CCCOC1)c1cccc(C(F)(F)F)c1O	788777021	RVBSYBJTGSJRGF-GHMZBOCLSA-N	303.324	3.488	10	20	DGCD	
CC(C)(C)c1cnc(SC[C@@H]2CCCS(=O)(=O)C2)s1	789929041	ISWZCAVKOQASPU-JTQLQIEISA-N	319.517	3.358	10	20	DGCD	
CCc1ccc(CCC(=O)NCc2ccc(OC)cc2O)cc1	794369135	CMFHEIAUNFYVCB-UHFFFAOYSA-N	313.397	3.212	10	20	DGCD	
CC[C@H](N[C@@H](CO)Cc1ccccc1C)c1ccc(F)cc1O	796959206	LVPHIPBKPZRZGX-AEFFLSMTSA-N	317.404	3.484	10	20	DGCD	
C[C@@H](N[C@@H](CCO)Cc1ccccc1)c1ccc(F)cc1O	799729386	LILUGKGEVVGEHF-CJNGLKHVSA-N	303.377	3.176	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCNC2CCCCCC2)c1	817961271	ZWCQQYSAGRBVJM-AWEZNQCLSA-N	306.450	3.364	10	20	DGCD	
C[C@H](N[C@H]1CCCNCC1)c1ccc(Cl)c(Cl)c1O	817968519	KUVAJGRSBWXERF-UWVGGRQHSA-N	303.233	3.492	10	20	DGCD	
CCC/C(C)=C\C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819583105	SUUDJUQJZWHKAK-RTYFKUQISA-N	316.445	3.384	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNc3nc(C)cc(C)n3)C2)cc1	819936768	WZGFUGSZYRAMEF-HNNXBMFYSA-N	312.417	3.040	10	20	DGCD	
Oc1ccccc1CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1	822526717	WOFIHLGYISWQHS-IAGOWNOFSA-N	303.789	3.354	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN2CC[C@](C)(O)C2)cc1	823476967	FURDMUPEKGGILU-SFHVURJKSA-N	316.470	3.341	10	20	DGCD	
CO[C@@H]1CCC[C@H]1NCc1cc(Br)cc(C)c1O	824903211	BQBXZUSQEYRJNZ-CHWSQXEVSA-N	314.223	3.120	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1	825085716	MKNSEOXWKNMSRM-VQIMIIECSA-N	311.429	3.158	10	20	DGCD	
CCOc1ccc(CN(C)[C@H]2C[C@@H](OC)C23CCC3)c(O)c1	825104177	QEQXVQFTPDDVNC-DLBZAZTESA-N	305.418	3.180	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@H]([C@@H]2CCCCO2)C1	827377067	OOTWAYUAZDXYFA-YOEHRIQHSA-N	305.418	3.182	10	20	DGCD	
C[C@@H](NC(=O)c1cc(COC(C)(C)C)on1)c1ccccc1O	827941735	XMWRRGZRYBVOFA-LLVKDONJSA-N	318.373	3.186	10	20	DGCD	
COC(=O)c1cnc(SCCc2ccc3c(c2)CCO3)s1	829680726	DKGYGWDKXIPDBM-UHFFFAOYSA-N	321.423	3.199	10	20	DGCD	
CC(=O)c1cc(F)cc(Cn2cnc3c2C[C@H](C)[C@@H](C)C3)c1O	830919319	ZLVPASHDTSZCBX-QWRGUYRKSA-N	316.376	3.350	10	20	DGCD	
CC[C@@H](CSc1ccccc1)NC(=O)Cc1ccc(N)cc1	831443303	IIGNGPOYLXTXRB-INIZCTEOSA-N	314.454	3.498	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@]2(C)CC=CCC2)cc1F	838027863	AFKQRWJUOGAGNQ-QGZVFWFLSA-N	305.397	3.190	10	20	DGCD	
COc1ccc(O)c(CN2CC(Cc3ccc(F)c(F)c3)C2)c1	839145517	SYGQVEJRHKQUPV-UHFFFAOYSA-N	319.351	3.354	10	20	DGCD	
CN(CCC1(O)CCC1)Cc1ccc(N2CCCCC2)cc1	839459662	PRYZTTWVTULKEV-UHFFFAOYSA-N	302.462	3.414	10	20	DGCD	
COCC[C@H](C)CN[C@H](C)c1cc(Br)ccc1O	840837819	VUPCCWUWVJVZPK-WDEREUQCSA-N	316.239	3.478	10	20	DGCD	
CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(C)C	840879826	TXAMKNFNFIROGL-RBUKOAKNSA-N	320.477	3.049	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNC[C@H]1CCC[C@H]1C1CC1	840954198	ALNJCQMVGGCJSD-QUCCMNQESA-N	314.473	3.439	10	20	DGCD	
O=C1CCCN1[C@@H]1CCCN(Cc2cccc(Cl)c2O)CC1	840974919	QKHISMWVMPRMEC-CQSZACIVSA-N	322.836	3.023	10	20	DGCD	
CN(C[C@H]1OCCc2ccccc21)C(=O)Nc1ccc(N)cc1	841298941	VBJYOYZSPVHLRN-QGZVFWFLSA-N	311.385	3.047	10	20	DGCD	
CC[C@H](N)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1	843483441	CSTVSIPDWZCKAJ-YOEHRIQHSA-N	312.413	3.219	10	20	DGCD	
Cc1cc(NC(=O)NCc2cc(Cl)ccc2O)nn1C(C)C	844712515	WTZWCQWHGCEFRU-UHFFFAOYSA-N	322.796	3.453	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc3c(c2)OCCO3)c1O	846135559	DOUFKHRVIWGLGL-GFCCVEGCSA-N	315.369	3.023	10	20	DGCD	
COC(=O)c1cnc(Sc2cc(C(C)(C)C)ncn2)s1	853651759	OCFZFRWLOXYJER-UHFFFAOYSA-N	309.416	3.168	10	20	DGCD	
C[C@@H](NC(=O)NCCSC(F)(F)F)c1ccccc1O	868108531	MFTYZSZGPZCVLA-MRVPVSSYSA-N	308.325	3.005	10	20	DGCD	
COc1cc(Cl)cc([C@@H]2NC(=O)c3ccc(C)cc3N2)c1O	877865102	VDQNJEUSQOWICJ-HNNXBMFYSA-N	318.760	3.217	10	20	DGCD	
CCC(=O)N1CCc2ccc(NCc3cc(F)ccc3O)cc21	897767128	LVJVKTRMMYFSCO-UHFFFAOYSA-N	314.360	3.443	10	20	DGCD	
COc1c(C)cnc(CNC(=S)Nc2cccc(F)c2)c1C	899463888	MGWCFCIBTBEXPI-UHFFFAOYSA-N	319.405	3.333	10	20	DGCD	
Cc1cccc([C@H](NCc2ccc(N(C)C)c(F)c2)C(=O)O)c1	904264768	PVMVFARFVSNXLS-KRWDZBQOSA-N	316.376	3.116	10	20	DGCD	
Cc1cc(C)c(C(=O)NCc2cc(Cl)ccc2O)c(C)n1	911899272	UUVVYCZYDVNOEL-UHFFFAOYSA-N	304.777	3.296	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1nonc1C	926597134	USVWFJIKKTWJNR-OLZOCXBDSA-N	302.422	3.034	10	20	DGCD	
C[C@@H](CC(=O)OC(C)(C)C)NCc1c(O)ccc(Cl)c1F	1326255659	DZSKPXXGUGWJET-VIFPVBQESA-N	317.788	3.395	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)n1cccc1	1327341385	OECPFPWGTLSWIA-HOTGVXAUSA-N	313.445	3.171	10	20	DGCD	
CCC1(CC)CCN(c2nnc(-c3sccc3O)n2C)C1	1355344766	OXWCSPCROAEBEL-UHFFFAOYSA-N	306.435	3.266	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC([C@@H]2NCC23CCC3)CC1	1580886110	YFKQDFHWOMPFBD-KRWDZBQOSA-N	322.399	3.025	10	20	DGCD	
O=C(O)[C@@H](NCc1cc(Cl)cc(F)c1O)c1cccs1	1601673687	BDJWLNFNKHVXQW-NSHDSACASA-N	315.753	3.162	10	20	DGCD	
C[C@@H](NC1CCN(C(C)(C)C)CC1)c1cc(C(=O)O)ccc1O	1609774935	DBDYUPWXEDCFJV-GFCCVEGCSA-N	320.433	3.004	10	20	DGCD	
CCCC[C@@H](NCc1ccc2c(c1)CCCN2CC)C(=O)O	1776774684	LKBLTRYLZDODAE-MRXNPFEDSA-N	304.434	3.192	10	20	DGCD	
CN(C)c1ccc(CN2CCC(C3(C(=O)O)CCC3)CC2)cc1	1777039442	QPXNGYAFJXUZAL-UHFFFAOYSA-N	316.445	3.220	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc(CCC(=O)O)cc2)cc1	1777040075	FZJRKCOHRITOEZ-UHFFFAOYSA-N	312.413	3.060	10	20	DGCD	
O=c1[nH]c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2[nH]1	21013790	CCTTWHGXKSKKTK-UHFFFAOYSA-N	324.167	3.481	10	20	DGCD	
CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nccs2)c1C	52914282	LGROUOPXXOYUSL-UHFFFAOYSA-N	324.427	3.240	10	20	DGCD	
Cn1cc(C[C@H]2CCN(Cc3c(O)ccc4ccccc34)C2)cn1	83113896	KFFYJXOBQJWASQ-OAHLLOKOSA-N	321.424	3.344	10	20	DGCD	
CN(C)c1ccc(NC2=NN=C(c3cccn3C)CS2)cc1	105399055	JEMSZYGQFIJVNH-UHFFFAOYSA-N	313.430	3.010	10	20	DGCD	
CCc1nc(CN(Cc2ccco2)Cc2ccccc2O)no1	111232755	BQZQQFKVOUPJOB-UHFFFAOYSA-N	313.357	3.133	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c(C)noc2C2CC2)c1	133294024	FIKYXTZCGXJAPZ-VIFPVBQESA-N	316.357	3.066	10	20	DGCD	
C[C@H]1CCCN1Cc1c(O)ccc(C(=O)c2ccccc2)c1O	173523372	HNEQSEMKHYJQLK-ZDUSSCGKSA-N	311.381	3.313	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1cccc(F)c1	183452777	DOKRJZCVCKJPQA-VXGBXAGGSA-N	317.360	3.088	10	20	DGCD	
CC[C@@H](C)NC(=O)CCN[C@H](C)c1cc2c(cc1O)CCCC2	185155181	OHRKERBNBXGFNW-ZIAGYGMSSA-N	318.461	3.226	10	20	DGCD	
CC[S@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2cc(F)ccc2O)C1	185658209	IWIUOZRMGAAOGR-CQLHDSJLSA-N	313.438	3.262	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)N(C)Cc2ccco2)cc1	191579184	WPNYNZGAAGTMSG-UHFFFAOYSA-N	316.401	3.162	10	20	DGCD	
CCN(CC)c1ccc(CNCCNC(=O)OC(C)(C)C)cc1	218117605	LELTVKGEEHJDLL-UHFFFAOYSA-N	321.465	3.147	10	20	DGCD	
CCS(=O)(=O)c1ccc([C@H](C)NCc2ccccc2O)cc1	270207558	KXJBTYUYLCJCSX-ZDUSSCGKSA-N	319.426	3.037	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCCc3ccon3)c2C)c1	270382578	VWSSDHUDRQHLGN-UHFFFAOYSA-N	323.396	3.363	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1nc([C@@H](C)OC)no1	270893381	PMIITSZRMDTARB-GFCCVEGCSA-N	317.389	3.129	10	20	DGCD	
COCCOCCCN[C@@H](C)c1ccc2ccccc2c1O	273425848	UBAOVAICGDBEJQ-AWEZNQCLSA-N	303.402	3.249	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1	278403387	OPBBWOZGMKOOCK-GXFFZTMASA-N	323.742	3.181	10	20	DGCD	
CCSCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C	282018983	JHMSXMGVVHCWDP-UHFFFAOYSA-N	317.458	3.362	10	20	DGCD	
C[C@H](CCCO)CN[C@H](C)c1ccc(Br)cc1O	296537948	QUYOPGKLGAKVSK-GHMZBOCLSA-N	316.239	3.214	10	20	DGCD	
Cc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)cn1	349342267	NNYQRWFYQLRJHA-UHFFFAOYSA-N	322.412	3.190	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC12CCOCC2	374622870	UFHBLGLSZVYBPL-INIZCTEOSA-N	317.429	3.338	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnn(C2CC2)c1	529306844	UTUWNFJITNHZKZ-UHFFFAOYSA-N	313.401	3.366	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1	726562591	PYNWUZGJUOJNFG-UHFFFAOYSA-N	324.424	3.402	10	20	DGCD	
COc1ccc(CNC[C@@](C)(O)c2ccc(F)cc2F)cc1C	734004199	UTXYHXKCEONWCD-GOSISDBHSA-N	321.367	3.279	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2=CCCCO2)cc1	746105535	YSVYVNCKKXWUEO-UHFFFAOYSA-N	302.418	3.186	10	20	DGCD	
CO[C@@H]1CCC[C@@H](NCc2cccc(Br)c2O)C1	746756597	UVWZBMSDXILOKQ-VXGBXAGGSA-N	314.223	3.202	10	20	DGCD	
CCO[C@H](CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(C)C	756631034	XDTPXIJZOBAVJI-MLGOLLRUSA-N	310.394	3.402	10	20	DGCD	
COc1ccc(N(C)Cc2nc3c(s2)CCC3)cc1OC	761219778	CITBQRGOEJZXSE-UHFFFAOYSA-N	304.415	3.285	10	20	DGCD	
C[C@@H](NC(=O)CCC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	764889522	YKGVMYJSTNYGMA-CYBMUJFWSA-N	320.433	3.052	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(O)c(F)c2)cc1	767302612	ZHMFGQYRVAKMGA-UHFFFAOYSA-N	316.376	3.308	10	20	DGCD	
CCCCCNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774483312	JQNTXZDHFDTHIE-CABCVRRESA-N	305.466	3.098	10	20	DGCD	
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(O)c1O	776320184	LLXDPWNQFKILBT-UHFFFAOYSA-N	315.413	3.386	10	20	DGCD	
CCOC(=O)N1CCC[C@H]([C@H](C)N[C@H](C)c2ccccc2O)C1	776864626	MIGNGHHZHWNFTG-ZNMIVQPWSA-N	320.433	3.300	10	20	DGCD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)o1	779500355	PAFGNXBVDBALKZ-VKWCSIGYSA-N	313.353	3.144	10	20	DGCD	
C[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	786620708	HYOZIQVPKSHKOB-MEBBXXQBSA-N	305.333	3.057	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)C1CCCCCC1	788958870	WYFSVKXCPMIOFZ-NTMALXAHSA-N	318.369	3.194	10	20	DGCD	
C[C@H](NCCCn1cccn1)c1cccc(C(F)(F)F)c1O	798181783	ZDYJAXRNLRLFOQ-NSHDSACASA-N	313.323	3.348	10	20	DGCD	
Cc1ccc(O)c(CNC[C@H](CO)c2ccc(Cl)cc2)c1	808430625	IDPQSJGWJVDKQP-OAHLLOKOSA-N	305.805	3.220	10	20	DGCD	
C[C@@H](O)c1ncc(CN[C@H](C)c2ccc(N(C)C)cc2)s1	809642270	FVCRLENKERCOFV-VXGBXAGGSA-N	305.447	3.113	10	20	DGCD	
COc1cc(CCO)ccc1NCc1cc(Cl)ccc1O	809654764	OGSXVRWXEABOJS-UHFFFAOYSA-N	307.777	3.201	10	20	DGCD	
CC(C)c1scnc1C(=O)NCc1ccc(N(C)C)c(F)c1	810265592	GNTPRJHPEFSECH-UHFFFAOYSA-N	321.421	3.402	10	20	DGCD	
COc1ccc(O)c(CN2C[C@H]3CCCN3Cc3ccccc32)c1	811508491	SEQICDXBZGRDAN-QGZVFWFLSA-N	324.424	3.385	10	20	DGCD	
Cc1nc([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c(C)s1	817940657	GKZGXMPSMZLZTI-ZBEGNZNMSA-N	318.490	3.177	10	20	DGCD	
CN1CCCc2cc(CNC(=O)CCCc3cccnc3)ccc21	824676489	MASXYQFTBDAZGH-UHFFFAOYSA-N	323.440	3.103	10	20	DGCD	
O=C(C[C@@H]1CCCN1C(=O)c1cc(O)cs1)c1cccs1	829774061	WHYSVISFEYLYGB-JTQLQIEISA-N	321.423	3.393	10	20	DGCD	
Oc1cccc2c1[C@H](NC1(c3ccc4c(c3)OCO4)CC1)CC2	834729197	ATDDHJOFROLWEQ-CQSZACIVSA-N	309.365	3.387	10	20	DGCD	
COc1cccc(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1O	839632902	MKYDEAYPJKRIEQ-BEFAXECRSA-N	311.381	3.211	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1C	840716842	BWTGMDLXGUQUBC-XPGWFJOJSA-N	316.489	3.420	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C	841756123	RBEOLLGQIJOGTL-VQIMIIECSA-N	320.477	3.235	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCC[C@@H]([C@H]2CCCNC2)C1	843126299	ICKNULNJBMIEQK-UONOGXRCSA-N	308.853	3.257	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ncc(C(=O)O)s2)cc1C	843305857	IALVPVCJOZGWKU-JTQLQIEISA-N	306.387	3.009	10	20	DGCD	
CSc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)n1	843550345	INSUXXTXTIJTHD-UHFFFAOYSA-N	315.442	3.108	10	20	DGCD	
COc1cccc([C@H](C)NCCOc2ccccc2C)c1O	846141628	LAYSKZOXPCEXBP-AWEZNQCLSA-N	301.386	3.439	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](O)CNCc1cc(Cl)ccc1O	850412056	SIPPYJTWBFXZSJ-PXAZEXFGSA-N	305.805	3.300	10	20	DGCD	
CCCOc1cccnc1C(=O)NCc1cc(Cl)ccc1O	857548896	ZMZGBGQXOGDBDA-UHFFFAOYSA-N	320.776	3.159	10	20	DGCD	
CCCOc1ccc(CNCc2cc(C(=O)O)co2)cc1C	871877587	OPKDORDJKQSSIN-UHFFFAOYSA-N	303.358	3.365	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1F	886526372	LHOPDKCAWGOSDP-NWDGAFQWSA-N	324.396	3.191	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1nc(C(C)C)no1	888395024	KCNMNNWAQNEDGG-UHFFFAOYSA-N	318.377	3.343	10	20	DGCD	
COc1ccc(CNC[C@H](C)c2cccc(F)c2)c(O)c1OC	892749559	PBOVUEIMDCRBHE-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
CCc1cccc(CN(C)[C@@H](c2ccccc2)c2nc[nH]n2)c1O	894960600	AQODOUWBXCRPLD-KRWDZBQOSA-N	322.412	3.294	10	20	DGCD	
C[C@@H](NCc1cc(N(C)C)ccn1)c1ccc(Cl)cc1O	903196605	BMQUFZRQFGCAKM-LLVKDONJSA-N	305.809	3.357	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](OCC(F)(F)F)C2)cc1	916836790	MXPIPXZXFYKRBF-OAHLLOKOSA-N	316.367	3.296	10	20	DGCD	
CC[C@](C)(NC(=O)NCc1cc(C)ccc1O)C(F)(F)F	933504716	KAEUVCVAVHWONR-ZDUSSCGKSA-N	304.312	3.231	10	20	DGCD	
C=C/C(C)=C\CC(=O)NCCCNCc1ccc(OC)c(C)c1	1164116743	QKFOUZFOPLKGSL-CHHVJCJISA-N	316.445	3.122	10	20	DGCD	
OC[C@@H](C1CC1)[C@@H](NCc1ccc(N2CCCC2)cc1)C1CC1	1324376639	CHJRCSAMOOVLPC-PMACEKPBSA-N	314.473	3.174	10	20	DGCD	
CC(=O)c1cc(NC(=O)NCCc2ccc(N)cc2)ccc1C	1575033465	NODYYVRHUOXKCU-UHFFFAOYSA-N	311.385	3.144	10	20	DGCD	
CN(C)c1ccc(/C=C\CNCc2cccc3c2CCNC3)cc1	1578425835	PCDLTLLDFGJWLY-PLNGDYQASA-N	321.468	3.201	10	20	DGCD	
C[C@H](CCc1ccccc1)CNCc1ccc(C(=O)O)cc1O	1776416944	DIKNYXDEFYLKFX-CQSZACIVSA-N	313.397	3.449	10	20	DGCD	
CC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1	47192354	JNFIIISIMGFNNW-UHFFFAOYSA-N	323.396	3.498	10	20	DGCD	
CC(C)=CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	81203146	OOQHBRIHZKXIEU-ZDUSSCGKSA-N	324.371	3.339	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCc1ccc(F)cc1F	112216893	DDVCJAXJJYLEBT-UHFFFAOYSA-N	320.339	3.055	10	20	DGCD	
COc1ccc(N(C)Cc2c(C)nn(C)c2Cl)c(OC)c1	131913735	DQMBYSHRQQYATQ-UHFFFAOYSA-N	309.797	3.036	10	20	DGCD	
COc1cccc(CNC(=O)[C@H]2CCCc3sccc32)c1O	155450220	KXYUSFCIYBDVAS-ZDUSSCGKSA-N	317.410	3.199	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]1C	178617736	ZCKRFEJRJRWPCF-KBPBESRZSA-N	301.434	3.009	10	20	DGCD	
CCC(CC)N(CCOC)Cc1cc(OC)c(OC)cc1O	179740961	AJLRJMNMMNFLFP-UHFFFAOYSA-N	311.422	3.046	10	20	DGCD	
CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)c1cccs1	180782232	NEWQVHVLYCDMLD-SOFGYWHQSA-N	317.410	3.267	10	20	DGCD	
C[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc(N(C)C)cc1	182134328	IJPODYSRBKVMHX-MAUKXSAKSA-N	318.461	3.479	10	20	DGCD	
C[C@@H](CNC(=O)c1cccc(O)c1O)Sc1ccccc1	187142775	UYRHUVOQNLEZNH-NSHDSACASA-N	303.383	3.008	10	20	DGCD	
CC[C@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	188091042	LKERYTKIDPGMTH-YJBOKZPZSA-N	313.445	3.393	10	20	DGCD	
COc1ccc(Cl)cc1N(C)C(=O)/C=C\c1cccnc1	255421108	XOWITURIOGZANA-YVMONPNESA-N	302.761	3.420	10	20	DGCD	
CNC(=O)CCCN[C@H](C)c1ccc(N2CCCCCC2)cc1	268835175	PJUUTHHVSHENKM-MRXNPFEDSA-N	317.477	3.244	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@H](c2noc(C3CC3)n2)C1	272462641	QVCFHYSKTQOKRM-LBPRGKRZSA-N	317.364	3.171	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(C(=O)O)co2)cc1F	277104909	ZMAINNVITJKEKH-UHFFFAOYSA-N	320.364	3.253	10	20	DGCD	
C[C@@H](N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])C1(C)CC1	385192266	NDSSDHVMOXBDST-JPVGGKMYSA-N	304.346	3.317	10	20	DGCD	
CC(C)(O)C(C)(C)CNCc1cc(Br)ccc1O	393671253	JTGKPPPAVLCXOZ-UHFFFAOYSA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)nc1	564894971	ATZWFEAFNKQGJS-UHFFFAOYSA-N	322.412	3.190	10	20	DGCD	
CC[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(O)c(O)c1	588408261	YYYISXAENWROLV-SLWQEBJJSA-N	311.381	3.249	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc3ccccc3n2)c1	728984380	PAZWZOZOBWYLDD-LBPRGKRZSA-N	322.364	3.440	10	20	DGCD	
CN1CCc2cc(/C=C3\N=C(c4ccccc4)OC3=O)ccc21	751523197	KXKVHYJGCAQLRM-VBKFSLOCSA-N	304.349	3.023	10	20	DGCD	
CCC1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CCC1	752395608	IFKUPHADLICRIW-UHFFFAOYSA-N	307.413	3.271	10	20	DGCD	
COCC[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	754590889	AHSJNJKKJSKUAN-ZDUSSCGKSA-N	302.374	3.071	10	20	DGCD	
CCn1nc(C)c(CN[C@@H](C)c2ccc(N(C)C)cc2)c1C	765658678	IXBPONCOMXBHGY-ZDUSSCGKSA-N	300.450	3.437	10	20	DGCD	
CCC(=O)CNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	768366652	BNDGMHIAAYLYRT-UHFFFAOYSA-N	312.413	3.420	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CN1[C@@H](C)CC[C@H]1C	769290815	JRSMPSZQIMYAMA-GASCZTMLSA-N	304.434	3.004	10	20	DGCD	
COc1cccc(O)c1CN1CCO[C@@H](c2ccccc2F)C1	769309309	ULRVEARHPWYGOU-GOSISDBHSA-N	317.360	3.113	10	20	DGCD	
C[C@H](NC(=O)N(C)Cc1ccco1)c1ccc(N(C)C)cc1	773621467	ACQBHQVFEDIYDY-ZDUSSCGKSA-N	301.390	3.248	10	20	DGCD	
Cc1noc(C)c1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775585896	LNDRVXSGEZSLSM-SNVBAGLBSA-N	302.378	3.240	10	20	DGCD	
COc1cc(O)c(CNCC(F)(F)c2ccccc2)cc1OC	789581077	OCJADGUFTVDTIE-UHFFFAOYSA-N	323.339	3.291	10	20	DGCD	
C[C@H](NC[C@H]1N(C)CCCC1(C)C)c1cc([N+](=O)[O-])ccc1O	790497197	LTWBPAAHHLAYCF-BLLLJJGKSA-N	321.421	3.071	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@](C)(O)CC2)cc1F	793251229	POOKTBIHYKLFBH-GOSISDBHSA-N	308.441	3.409	10	20	DGCD	
Cc1csc2ncnc(NCCc3ccc(O)c(O)c3)c12	794783279	KNAZINMCUPYIJM-UHFFFAOYSA-N	301.371	3.066	10	20	DGCD	
Cn1cc2c(n1)CCC[C@H]2NCCCSc1nccs1	794800277	BUZRXAJXJJXEIR-GFCCVEGCSA-N	308.476	3.026	10	20	DGCD	
CC[C@H](NCc1cccn(CC)c1=O)c1ccc(C)cc1O	794829985	XAFHMNNLZGJEKB-INIZCTEOSA-N	300.402	3.123	10	20	DGCD	
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccsc1	795549034	QPLQUTHQKBFFTF-UHFFFAOYSA-N	323.424	3.067	10	20	DGCD	
CCCN(C)C[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1	815057582	UWKHDVOAGLHFAI-GOSISDBHSA-N	303.494	3.225	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)c(F)cc1O)CN1CCCC1	816536444	XVXXOJLKGWSXMW-NSHDSACASA-N	300.805	3.006	10	20	DGCD	
Cc1ccc2nc(CNCc3cc(Cl)c(F)cc3O)cn2c1	816548959	YMCQQMZYGIIRTH-UHFFFAOYSA-N	319.767	3.431	10	20	DGCD	
C[C@@H](N[C@H]1CCCNCC1)c1ccc(Cl)c(Cl)c1O	817968521	KUVAJGRSBWXERF-ZJUUUORDSA-N	303.233	3.492	10	20	DGCD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCc1ccc(N)cc1	818545257	SFSONTXWRPIQMI-GJZGRUSLSA-N	300.427	3.101	10	20	DGCD	
Cc1ccccc1OC[C@H](O)CNc1ccccc1OCCF	819489363	UDYZMRGKPTXHRF-OAHLLOKOSA-N	319.376	3.195	10	20	DGCD	
Cc1cc(O)c(CNCc2cccc3c2OCO3)cc1Cl	825130971	HTNROQFBMUUYKG-UHFFFAOYSA-N	305.761	3.373	10	20	DGCD	
COc1ccccc1[C@@H](CO)NCc1cc(Cl)c(C)cc1O	825283512	LYWHDUNIPYOMNS-OAHLLOKOSA-N	321.804	3.186	10	20	DGCD	
CO[C@H]1CCC[C@H]1CNCc1ccc(Br)cc1O	825405858	LFSWKKRXGOFWPS-FZMZJTMJSA-N	314.223	3.059	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2CCO)c(O)c(C(C)(C)C)c1	825566894	BKXIZOOYFJQYBQ-CQSZACIVSA-N	307.434	3.045	10	20	DGCD	
CN(CC1=CCCOC1)Cc1cc(Cl)cc(Cl)c1O	827185069	MHYSQRRKTMHYPU-UHFFFAOYSA-N	302.201	3.478	10	20	DGCD	
Oc1cc2c(cc1CN1CCO[C@H](CF)C1)oc1ccccc12	840171050	DWPNAAWVXSVLHO-CYBMUJFWSA-N	315.344	3.462	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCN(C(C)(C)C)C2=O)c2c(O)ccc(F)c21	842885797	PIFZSSQSHLQTEG-WXHSDQCUSA-N	320.408	3.069	10	20	DGCD	
CN(C)c1ccc(CCc2nc(Cc3ccc(N)cc3)no2)cc1	843160022	URARRPBVKPTFNE-UHFFFAOYSA-N	322.412	3.094	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](C)Cc2ccc(O)cc2)c1O	846147231	UWOSZLRVQXSGGL-QWHCGFSZSA-N	301.386	3.388	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](CO)C2CCCCC2)c1O	846171732	VXGPXIZRQJQSBK-ZFWWWQNUSA-N	307.434	3.240	10	20	DGCD	
CC(C)c1ccccc1/C=C1\SC(=S)N(CC(=O)O)C1=O	846760042	ZMOITGJALHAJFC-GHXNOFRVSA-N	321.423	3.096	10	20	DGCD	
CCn1nnc(C)c1CN(C)c1ccc(-c2nccs2)cc1	846992056	IONPIGKBNVXEHH-UHFFFAOYSA-N	313.430	3.366	10	20	DGCD	
CCN(CC)c1ccc(CNCc2c(C3CC3)cnn2C)cc1	850035141	VXGRYZVVNGZXCQ-UHFFFAOYSA-N	312.461	3.434	10	20	DGCD	
CC[C@@H]1CCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1	850565918	JQHSYDRHADMLKN-VQIMIIECSA-N	302.462	3.316	10	20	DGCD	
CN(C)c1ccc(CN2CCOC(C3CC3)(C3CC3)C2)cc1	852648767	DIZHPHMSVQWMPV-UHFFFAOYSA-N	300.446	3.144	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H](C3CCCCC3)C1)[C@H](O)CO2	853553345	DNUDELYALYGMKL-KBXCAEBGSA-N	317.429	3.220	10	20	DGCD	
CCC1(CC)CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	853563869	ZSONQKDFJVHMSG-MRXNPFEDSA-N	305.418	3.220	10	20	DGCD	
Cc1cc(CNC(=O)C2CCOCC2)c(C)n1-c1ccccc1	863167196	FOVBOXDPPUHVOX-UHFFFAOYSA-N	312.413	3.137	10	20	DGCD	
Cc1ccc(OCCNC(=O)N[C@H](C)c2ccccc2O)cc1	867955400	ZWQLOPKLDAMPJV-CQSZACIVSA-N	314.385	3.140	10	20	DGCD	
CCCOc1ccc(CN[C@@H](CC(F)F)C(=O)OC)cc1C	877468740	FLOITLJYXXNIRM-ZDUSSCGKSA-N	315.360	3.070	10	20	DGCD	
Cc1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2O)c(C)c1	879648789	DUUWXICOPVIGRU-CVEARBPZSA-N	315.413	3.100	10	20	DGCD	
C[C@](O)(CCNCc1cc(F)cc(F)c1O)c1ccccc1	883093733	FQONXOBTYJVRAF-KRWDZBQOSA-N	307.340	3.058	10	20	DGCD	
CN(C)c1ccc([C@@H](CNC(=O)CC2CCCC2)N(C)C)cc1	891256964	CIEDJBKQYRQECR-GOSISDBHSA-N	317.477	3.052	10	20	DGCD	
CCc1cccc(CNC[C@](C)(O)c2cccc(F)c2)c1O	896563679	KUTCBBLHJCLYQA-SFHVURJKSA-N	303.377	3.091	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cccc2c1OCO2	924863142	VTNNAYNJTYWWCK-LBPRGKRZSA-N	316.376	3.471	10	20	DGCD	
COC(=O)N1CCC[C@H](N[C@H]2C[C@H](C)c3c(C)ccc(O)c32)C1	1320410482	BXNQLJGVPOFDNN-IHRRRGAJSA-N	318.417	3.069	10	20	DGCD	
CCOCc1ccc(NC(=O)NCc2ccccc2O)cc1	1322135040	WZJCYURAZCYWPY-UHFFFAOYSA-N	300.358	3.250	10	20	DGCD	
COC1([C@H](C)N[C@H]2C[C@H](C)c3c(C)ccc(O)c32)CCOCC1	1325792898	HWWVGWDDEHAWFJ-KKUMJFAQSA-N	319.445	3.423	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCN(C(C)(C)C)C1=O	1326500856	JPLSQFZOZPHCPS-MCIONIFRSA-N	316.445	3.238	10	20	DGCD	
Cc1cnccc1CCNCc1cc(F)c(N(C)C)cc1F	1334889919	BBLDOTAOXJVKKR-UHFFFAOYSA-N	305.372	3.067	10	20	DGCD	
CC(C)c1oncc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1348253868	YZBHZXGZXVXYBF-GFCCVEGCSA-N	301.390	3.355	10	20	DGCD	
COCn1ncc(C)c1CN(C)c1ccc(OC)c(Cl)c1	1352016980	RIRPUOWSUGCVDU-UHFFFAOYSA-N	309.797	3.094	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CC[C@H]2O)c1	1355126477	HDJJXCUAUAAYSA-HZPDHXFCSA-N	318.804	3.001	10	20	DGCD	
C[C@@H](NC[C@@H]1CC12CCSCC2)c1cc(C(=O)O)ccc1O	1593252044	MNLSEOIZVSQRDQ-YPMHNXCESA-N	321.442	3.274	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2occc2C(=O)O)cc1	1596290079	ZDOKVXGURXLXRS-UHFFFAOYSA-N	316.401	3.456	10	20	DGCD	
COCc1ccc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)cc1	1599293029	AQJSIBILBQCEQD-LBPRGKRZSA-N	315.369	3.088	10	20	DGCD	
O=C(O)[C@@H](CNCc1cccc(Cl)c1O)CC1CCCC1	1608537933	BRKSILSNJQGYRE-CYBMUJFWSA-N	311.809	3.416	10	20	DGCD	
COc1cc(O)c(CN2CCC(C(F)(F)F)CC2)cc1OC	179445499	FNFMPLJGIKGJOO-UHFFFAOYSA-N	319.323	3.184	10	20	DGCD	
Cc1ccncc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	104453699	ISRBAFLWMXXKKX-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
CCS[C@H]1CC[C@@H](N(C)Cc2cc3c(cc2O)OCO3)C1	173484330	WTDHKUBPKPHWRN-OLZOCXBDSA-N	309.431	3.227	10	20	DGCD	
CCCn1nc(C)c(CN(C)c2ccc3c(c2)OCO3)c1C	180761775	POAYGNWYEXOMLN-UHFFFAOYSA-N	301.390	3.275	10	20	DGCD	
COc1cc(O)c(CN2CCc3c(F)cccc32)cc1OC	184428758	KCRCLOBFSZMAJG-UHFFFAOYSA-N	303.333	3.111	10	20	DGCD	
NCc1ccc2c(c1)CCCN2C[C@H]1CCC2(CCCC2)O1	318597614	ZGHCSYLTKFSAAK-QGZVFWFLSA-N	300.446	3.390	10	20	DGCD	
COc1cccc(CNCc2ccc(OC(C)(C)C)nc2)c1O	180893086	XGQXONSSBXKPIZ-UHFFFAOYSA-N	316.401	3.263	10	20	DGCD	
C[C@H](O)C[C@H](C)CN[C@@H](C)c1ccc(Br)cc1O	185521908	FUYKSCBYQHIVRO-DCAQKATOSA-N	316.239	3.212	10	20	DGCD	
Oc1ccccc1CN(CCC(F)(F)F)C[C@@H]1CCCO1	72952798	OETDRDFRELJCQN-ZDUSSCGKSA-N	303.324	3.326	10	20	DGCD	
CCOC(=O)N1CCC(N[C@H](CC)c2ccccc2O)CC1	192882509	PGWZERMTMBCILM-OAHLLOKOSA-N	306.406	3.054	10	20	DGCD	
C[C@H]1[C@H](NCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1	383365354	UYBVHZWAENAUIV-OXJNMPFZSA-N	322.452	3.374	10	20	DGCD	
CC(C)c1ccc(OCCNC(=O)Cc2ccc(N)cc2)cc1	236680172	ZBDWAFLICCBOQS-UHFFFAOYSA-N	312.413	3.130	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCCc2cc(F)c(F)cc21	255323268	ZZRZCLNQNINOPM-ARJAWSKDSA-N	318.298	3.492	10	20	DGCD	
Cc1ccncc1CN(Cc1ccccc1O)C[C@@H]1CCCO1	269673338	YAVCCZBSLAWQPX-SFHVURJKSA-N	312.413	3.277	10	20	DGCD	
COc1cc(N2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])cc1OC	373670488	HKDPPRQWHQAKOB-INIZCTEOSA-N	324.377	3.007	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2nncn2C(C)C)cc1	292786061	LWUUTMGZGAPLJZ-UHFFFAOYSA-N	315.465	3.337	10	20	DGCD	
CN(C)c1ccc(CNCc2cccc(C(F)(F)F)n2)cc1	294817063	OOECKCLGBXKQQB-UHFFFAOYSA-N	309.335	3.456	10	20	DGCD	
CC[C@@H]1CC[C@H]1NCc1ccc(N2CCN(CC)CC2)c(F)c1	806137155	HIGKSKZEIXDONY-SJLPKXTDSA-N	319.468	3.246	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCc2cccnc21)c1ccc(N(C)C)cc1	819931748	SWKUQYISBQHNHK-CXAGYDPISA-N	309.413	3.055	10	20	DGCD	
C[C@H](Nc1ccc(COCCO)cc1)c1ccc(N(C)C)cc1	818362300	UTXMVSMHCGQSMB-HNNXBMFYSA-N	314.429	3.435	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cnns1	817295792	WLYXRCVKYLHKOC-ZDUSSCGKSA-N	303.431	3.382	10	20	DGCD	
C[C@H](N[C@H](C)Cn1ccnc1)c1cccc(C(F)(F)F)c1O	815558675	KTIVULZTFOEDJG-MNOVXSKESA-N	313.323	3.347	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCOc1cccc(F)c1	816536662	GFLPWPUJMCEUFW-UHFFFAOYSA-N	313.731	3.492	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ccccc3n2C)c1	728983090	UKMSQKPQNOLKNJ-GFCCVEGCSA-N	324.380	3.384	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCC[C@H]2CCCF)cc1	817939538	CKPXRDZNOFFDJY-CGTJXYLNSA-N	307.457	3.260	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C[C@@]1(O)CCc2ccccc21	829376132	MPAXYNVJINBARN-FQEVSTJZSA-N	310.441	3.018	10	20	DGCD	
Cc1ccc(CCNCc2ccc(Br)cc2O)cn1	825283330	JHCKPIMVKAJMQR-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
COc1cc(Br)cc(CN2CC[C@H]3C[C@@H]3C2)c1O	827507093	UIJBBGPRNZTWAF-VHSXEESVSA-N	312.207	3.005	10	20	DGCD	
CC[C@@]1(O)CCN(Cc2ccc(N3CCCCC3)c(C)c2)C1	828990330	CDVDRHBRZJAYPR-LJQANCHMSA-N	302.462	3.332	10	20	DGCD	
Cc1cc(O)c(CNC[C@H]2CSCCS2)cc1Cl	825331738	RIWCNBJSWJZMHZ-NSHDSACASA-N	303.880	3.292	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccnc2C)c(O)c1	834913620	YNAJSSKYRMZBTO-OCCSQVGLSA-N	313.401	3.082	10	20	DGCD	
CC(C)(CNC(=O)NCc1ccccc1O)c1cccs1	734068831	IZHZCUWFNGFHAO-UHFFFAOYSA-N	304.415	3.231	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1	744377291	RAMFAOYTIWYPNQ-UHFFFAOYSA-N	304.777	3.042	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)C1CCOCC1	840892828	DQVVFVGORCKDJA-JKSUJKDBSA-N	304.478	3.397	10	20	DGCD	
CCc1cccc(CNCc2csc([C@@H](C)OC)n2)c1O	848898262	RQKBFTFFAVOBLT-LLVKDONJSA-N	306.431	3.408	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCNC1	841033487	OZKZBUTVMAWIDA-AEFFLSMTSA-N	301.478	3.155	10	20	DGCD	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)o1	846803329	ZBZNHUXVBJVSIE-UHFFFAOYSA-N	314.385	3.159	10	20	DGCD	
CC(C)CCOC1CCN(C(=O)Nc2ccc(N)cc2)CC1	841301591	VWWDEHVUQIRNFP-UHFFFAOYSA-N	305.422	3.328	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](n2cc(Cl)cn2)C1	840948255	SEVNFSZYLPQLDU-KRWDZBQOSA-N	318.852	3.358	10	20	DGCD	
C[C@H]1C[C@H](C)N(C(=O)NCc2ccc(N3CCCC3)cc2)C1	740906138	AMGQYMLMQSEYIH-GJZGRUSLSA-N	301.434	3.227	10	20	DGCD	
CC[C@H](CCO)N[C@@H](C)c1cc(Br)c(F)cc1O	756602257	DMEBNROQVBKATI-DTWKUNHWSA-N	320.202	3.105	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(F)c(F)c2)cc1	920338376	SRELNPBVYYTPIJ-UHFFFAOYSA-N	319.355	3.030	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](c2cnn(C)c2)C(C)C)c1O	927069699	ZVUHUHAYGOCKIO-LRDDRELGSA-N	303.406	3.182	10	20	DGCD	
CCN(Cc1ccc(Cl)nn1)c1ccc(OC)c(OC)c1	929897599	MFTYIUYKICDYKY-UHFFFAOYSA-N	307.781	3.174	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1CC(F)F)c1ccc(Cl)cc1O	858480388	SPHDAAJQPBNKGL-CMPLNLGQSA-N	318.795	3.426	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H](C)c2nc(C)cs2)c1	858358341	JIYCKIZVBFOEEI-LLVKDONJSA-N	319.430	3.068	10	20	DGCD	
CCCN(CC(=O)N(C)c1ccccc1)Cc1ccccc1O	750874694	HBGIVDKQJLVIKM-UHFFFAOYSA-N	312.413	3.267	10	20	DGCD	
COc1cccc(N(CC(C)C)C(=O)/C=C\c2cn(C)cn2)c1	931106218	AWMFTYBIUXBJMI-HJWRWDBZSA-N	313.401	3.131	10	20	DGCD	
NC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F	863646015	FTUBLRIYCZKJLP-CMPLNLGQSA-N	322.758	3.005	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)CC(F)(F)F)c1	768270424	AIGQPTHREQAEIN-IUCAKERBSA-N	305.296	3.170	10	20	DGCD	
O=Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)s1	866770863	HLHRWNGLIKWDIS-UHFFFAOYSA-N	315.394	3.075	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H](N(C)Cc3ccccc3)C2)cc1	769497852	DFPDLBJDVAANNT-OAQYLSRUSA-N	323.484	3.459	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCN(Cc2cccs2)CC1	768197623	LCLUVYGJSMWZGQ-UHFFFAOYSA-N	322.861	3.425	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)c3cscn3)CC2)cc1	768100481	BAGGDTZCKHBQQK-ZDUSSCGKSA-N	317.458	3.471	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@](C)(O)c1cccc(Cl)c1	877374583	KRNLTBOTUJZUEK-QGZVFWFLSA-N	305.805	3.351	10	20	DGCD	
CO[C@H](CN(C)c1ccc(OC(C)C)cc1)C1CCOCC1	877477811	HRHUQNFJWINBHC-GOSISDBHSA-N	307.434	3.352	10	20	DGCD	
CC[C@H](NCCCN1CCCCC1=O)c1cc(Cl)ccc1O	775502872	XKJQSRXPBJHFET-HNNXBMFYSA-N	324.852	3.489	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccn(C)n2)cc1	774180891	CWKKGAKLFCKJPC-UHFFFAOYSA-N	308.385	3.104	10	20	DGCD	
C[C@@H](O)CN(Cc1ccccc1)Cc1cc(F)cc(F)c1O	893994828	KAZMZDOAPOLJDN-GFCCVEGCSA-N	307.340	3.053	10	20	DGCD	
CC[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O	794817806	RATNKTMYFSUKPP-DZGCQCFKSA-N	304.434	3.141	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c1O	791560426	VYBPPLHZWBLOOR-MGPLVRAMSA-N	323.820	3.248	10	20	DGCD	
O=S(=O)(c1ccoc1)N(Cc1ccccc1O)C1CCCC1	795852729	LVUNWABNCQMDFM-UHFFFAOYSA-N	321.398	3.119	10	20	DGCD	
OCCN(Cc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2	1321041769	AXSPGQYIYAJXII-BJLQDIEVSA-N	314.473	3.270	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCCNC(=O)C(C)C	1323828647	CCEXVOFHXGCOSZ-KBPBESRZSA-N	304.434	3.001	10	20	DGCD	
CCCOc1ccc(CN[C@H](CC(F)(F)F)C(=O)O)cc1C	1334778313	GLGGNATUARVQCY-GFCCVEGCSA-N	319.323	3.279	10	20	DGCD	
CC[C@@H](NCC[C@H](C)NC)c1cc(Br)ccc1O	1261424271	QIVAIWKJANNZLA-GXFFZTMASA-N	315.255	3.193	10	20	DGCD	
Cc1ccc(/C=C/C(=O)N2CCCc3ccc(C(=O)O)cc32)cn1	1600398417	PYKSNYFQXUAFJH-RMKNXTFCSA-N	322.364	3.081	10	20	DGCD	
CN(Cc1cc(Cl)c(F)cc1O)[C@H](C(=O)O)c1ccccc1	1606147476	KQVHSQAHBBZWKU-HNNXBMFYSA-N	323.751	3.442	10	20	DGCD	
CC(C)(C)c1cnc(SC[C@@H]2C[C@]3(CCNC3)CO2)s1	1575277295	NEWLTNKUKYJGFB-NHYWBVRUSA-N	312.504	3.301	10	20	DGCD	
Cc1ccccc1[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1777467675	CPRNSKVMJNREKE-HNNXBMFYSA-N	323.751	3.409	10	20	DGCD	
CCOc1ccc(O)c(CN(C)Cc2ccccc2OC)c1	160423609	IUTHIILTQOZGHT-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
Cc1cc(C(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)c(C)n1-c1ccccn1	174254905	JWBYNINQLFUSOT-HZPDHXFCSA-N	309.413	3.217	10	20	DGCD	
CCN(CC)C(=O)C[C@@H](C)NCc1ccc(N2CCCC2)cc1	177975396	ZTNCISLYCLBCNU-MRXNPFEDSA-N	317.477	3.023	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CO[C@H]2CCCC[C@@H]2C)c1	113429551	UYILMSSNWXKEOY-DCGLDWPTSA-N	321.417	3.173	10	20	DGCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc2c(c1)CCC2	70333944	RDTZDWGYKCEWDB-UHFFFAOYSA-N	323.801	3.335	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2ccccc2F)c1	182458706	XBRNLMFEFUUOIG-LBPRGKRZSA-N	305.349	3.270	10	20	DGCD	
CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(F)cc2O)C1	185657391	JRDJJEMLORZWLR-BBLNCHDKSA-N	313.438	3.262	10	20	DGCD	
COc1cc(Cl)c(/C=C2/SC(=S)NC2=O)cc1Cl	124651207	SVGQCJKUJZRYCN-YCRREMRBSA-N	320.222	3.491	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1	188091015	LKERYTKIDPGMTH-MAUKXSAKSA-N	313.445	3.393	10	20	DGCD	
C[C@H](NCCCOCC1CCOCC1)c1ccc(F)cc1O	185520136	VAJMMXZUZPXXCL-ZDUSSCGKSA-N	311.397	3.015	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCCCCCO)cc1	182254591	OLWYYLMOOWWPKD-UHFFFAOYSA-N	314.429	3.377	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cccn2C)c1O	79395876	VDJXZEDHVMBCLH-QGZVFWFLSA-N	316.376	3.410	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@@H](OCC(C)C)C2)c1O	184702839	RGKADWCWVXHXCB-CQSZACIVSA-N	313.825	3.301	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2sccc2C)c1	133599192	VGAPUNAKEUDDSS-KBPBESRZSA-N	317.410	3.191	10	20	DGCD	
CC[C@@H]1CO[C@H](C)CN1Cc1cc(Br)ccc1O	131502739	XANRBDOJSYMPJW-ZWNOBZJWSA-N	314.223	3.154	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](c2cccs2)N(C)C)c1	192940822	FSJUNPIHUIHQTM-DOMZBBRYSA-N	320.458	3.416	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)CCOCc2ccccc2)c1	290284990	ZMMSHIBZEFRMHB-HNNXBMFYSA-N	315.413	3.486	10	20	DGCD	
C[C@@H](CC[S@@](C)=O)NCc1cc(-c2ccccc2)ccc1O	268408189	GMIGBLMRJGAGBC-RCDICMHDSA-N	317.454	3.306	10	20	DGCD	
C[C@@H](CCc1ccccc1F)C(=O)NCc1ccccc1O	266543618	LPLUSQZAIXHEKE-ZDUSSCGKSA-N	301.361	3.416	10	20	DGCD	
CO[C@H]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	267986330	UWGJJWFPISRTQX-ZDUSSCGKSA-N	304.415	3.017	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)[C@@H](OC)c2ccccc2F)c1	272378530	DGEGLXYOKCUWKB-KPZWWZAWSA-N	319.376	3.406	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCCC(C)(C)O)c1O	275289369	GCKVGDFTMHMSQC-SNVBAGLBSA-N	316.239	3.275	10	20	DGCD	
CNC(=O)C1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1	271032877	HXRJMQITDQQSAK-UHFFFAOYSA-N	324.424	3.017	10	20	DGCD	
Cc1c(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)n(C)c2ccccc12	456020640	GLXPXPODWGDYKQ-DLBZAZTESA-N	319.408	3.302	10	20	DGCD	
CCC[C@](C)(O)CN[C@@H](C)c1cc(Br)ccc1O	273467127	DZMSIINDUJZIHX-HZMBPMFUSA-N	316.239	3.356	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCCc3nc(O)ccc32)c1	273621458	ZDWWRKJKRFTZKZ-ABAIWWIYSA-N	314.385	3.230	10	20	DGCD	
CC[C@H](NCC1(C(N)=O)CCCC1)c1cccc(Cl)c1O	287547473	FKOBMFFPLPJFNM-ZDUSSCGKSA-N	310.825	3.132	10	20	DGCD	
C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1O	282552663	XIZHIDGLKOVDGZ-NOZJJQNGSA-N	307.344	3.132	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCC(=O)NC(C)(C)C	388550266	FRAAQRYNNNDKLJ-STQMWFEESA-N	304.434	3.143	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](O)CC1	295081557	ZKSCJPQYRBFYIF-CQSZACIVSA-N	318.442	3.143	10	20	DGCD	
C[C@H](NC[C@H]1NCCc2ccccc21)c1ccc(F)cc1O	817975867	YZGWWVNJTBGFNT-YVEFUNNKSA-N	300.377	3.069	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](CC(F)(F)F)C1	817766747	PAHVYSLASLJRRT-MRVPVSSYSA-N	321.270	3.042	10	20	DGCD	
C[C@H](Nc1ccc(COCCO)cc1)c1ccc(F)cc1O	818360909	CZFGFBMCDWAUDC-LBPRGKRZSA-N	305.349	3.213	10	20	DGCD	
CC1CCN([C@@H](C)CNCc2cc(Cl)c(F)cc2O)CC1	816543906	RHZMTWMMPXDTLH-LBPRGKRZSA-N	314.832	3.395	10	20	DGCD	
CC(C)C[C@H](CN)N[C@@H](C)c1ccc(Br)cc1O	817958979	NXWHBGMXNOMAQD-CMPLNLGQSA-N	315.255	3.179	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3ccc(C)nc3)C2)cc1	818220661	IJAVCNNFFSVMRS-QGZVFWFLSA-N	311.429	3.015	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)[C@H](C)OC)cc1	811958020	PXWTWZZZBWUVBY-CABCVRRESA-N	321.465	3.098	10	20	DGCD	
C[C@H](NC[C@]1(C)CCOC1)c1cccc(C(F)(F)F)c1O	815579181	HCSCNZDWIYHQAK-HZMBPMFUSA-N	303.324	3.488	10	20	DGCD	
C[C@H](NCC[C@H]1CCNC1)c1ccc(N2CCCCC2)cc1	817955564	ZAPWNVLWKIJNIO-DLBZAZTESA-N	301.478	3.327	10	20	DGCD	
Cc1cc(CN(C)C[C@H](O)C2CC2)ccc1N1CCCCC1	828015437	FSQKLSHZLVNWRJ-IBGZPJMESA-N	302.462	3.188	10	20	DGCD	
COc1ccc(C[C@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1	827940325	ARALKXCGQCIIOQ-UONOGXRCSA-N	313.397	3.457	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)OCCCCO)c2C)cc1	733398324	FSAWAOSLDCKYCE-UHFFFAOYSA-N	317.385	3.032	10	20	DGCD	
C[C@H]1C[C@H](N[C@@H]2Cc3ccccc3[C@H]2N)c2c(O)ccc(F)c21	902437014	GHLKTPQPWANSFV-VGQSVSGKSA-N	312.388	3.294	10	20	DGCD	
CC(C)[C@@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCO1	823986247	IQDXLJVQAKNHQA-ABAIWWIYSA-N	311.809	3.113	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@@H]1C[C@H](C)c2c(F)ccc(O)c21)C(C)C	834880246	QDGFFTQOHKMATA-PPHDSNJXSA-N	322.424	3.172	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1	743638759	UIBQGXBLCPMCRT-PKOBYXMFSA-N	323.440	3.183	10	20	DGCD	
CCc1cc(NCc2ccc(N(CC)CC)cc2)n2ncnc2n1	917085144	BBJKKUYHQZVDOU-UHFFFAOYSA-N	324.432	3.145	10	20	DGCD	
Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)n(C)n1	841876236	YNXOJZBZTPXLAH-UHFFFAOYSA-N	307.344	3.283	10	20	DGCD	
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1	841301409	NYKIPSDVMQPWHV-RDTXWAMCSA-N	324.428	3.226	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@H](C)c2ccc(Cl)cc2O)c1	841765017	TUMPNTDOZSOLEH-DIFFPNOSSA-N	321.804	3.438	10	20	DGCD	
C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(O)cs1	746893574	CMEHRMHHLJHYCC-UZJPJQLHSA-N	323.439	3.024	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](C)c2cc(OC)ccc2O)c1	845972947	RVIVOSZOMOCYJD-GFCCVEGCSA-N	317.385	3.356	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](CO)CCC(C)C)CC2)cc1	858240611	BOMUAYVXFUICAM-KRWDZBQOSA-N	320.477	3.051	10	20	DGCD	
COCCC(C)(C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	752449134	QBHJPHGIEWKFTG-UHFFFAOYSA-N	315.417	3.034	10	20	DGCD	
C[C@H](NC[C@@H](C)Oc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756707389	YLIDUOAFQFJXCD-OLZOCXBDSA-N	316.357	3.419	10	20	DGCD	
C[C@H](NC[C@@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O	756605664	ULBZUUQNYVEZAD-GXTWGEPZSA-N	321.367	3.487	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)COc1ccc(F)cc1	750862080	PFBKWUBZVAPUTO-UHFFFAOYSA-N	317.360	3.349	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCc2cccc(N(C)C)c2)c1	862757580	ZDVFCWKRHTWZJH-UHFFFAOYSA-N	312.413	3.016	10	20	DGCD	
CN(C)c1cc(F)c(CNCC[C@H](O)c2ccccc2)cc1F	862367891	YPWXGSUPHBRBLF-SFHVURJKSA-N	320.383	3.244	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)c3ccccc32)c1O	775054982	DOTFNSLTOMMRRW-LLVKDONJSA-N	314.341	3.433	10	20	DGCD	
CCC(CC)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774482085	FOPLVHYOOLXXOX-UONOGXRCSA-N	305.466	3.097	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1CCc2c(Cl)cccc21	775779554	BKNATYZUWJHZEW-AWEZNQCLSA-N	301.773	3.392	10	20	DGCD	
Cc1cccc(O)c1CN1CCO[C@H](c2ccccc2F)C1	876682982	QBTIYUAPWLBPAF-SFHVURJKSA-N	301.361	3.413	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc[nH]1)c1ccc(N2CCOCC2)c(F)c1	773115860	AITPMOKSFVZDHK-ZIAGYGMSSA-N	317.408	3.402	10	20	DGCD	
COCCCOc1cccc(CNCc2ccc(C)cc2O)c1	877112085	ORFIARKZEGYMER-UHFFFAOYSA-N	315.413	3.406	10	20	DGCD	
C[C@H](NCCN1CCC1)c1ccc(N2CCCCC2)c(F)c1	773095509	SVETUANNJMBGDN-HNNXBMFYSA-N	305.441	3.172	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2NCc1c(O)cccc1Cl	776176096	XWPOSUJNZFXFOK-CQSZACIVSA-N	303.793	3.311	10	20	DGCD	
C[C@H](NC(=O)N1CCC[C@@H](CF)C1)c1ccc(N(C)C)cc1	883582033	LFRFGZRPPAWBCW-KBPBESRZSA-N	307.413	3.205	10	20	DGCD	
C[C@H]1CCCCN1CCCCNCc1cc(F)cc(F)c1O	882892249	RKNJSRVAOGVIMD-ZDUSSCGKSA-N	312.404	3.415	10	20	DGCD	
CCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccc1	775054996	FFXNTZFRLSMARU-UHFFFAOYSA-N	302.330	3.336	10	20	DGCD	
CCn1cccc(CN[C@H]2C[C@@H](C)c3c(F)ccc(O)c32)c1=O	788605646	BBEUQAHKRWOLMV-RISCZKNCSA-N	316.376	3.051	10	20	DGCD	
CN(C)CCc1ccccc1NCc1cc(F)cc(F)c1O	883099515	XSXUUKNMOJQQHN-UHFFFAOYSA-N	306.356	3.387	10	20	DGCD	
Cc1ccc(C[C@H](C)NC(=O)c2c(F)ccc(O)c2O)c(C)c1	789975732	CGPKFASVACPWSH-LBPRGKRZSA-N	317.360	3.215	10	20	DGCD	
COC[C@@H](NC(=O)c1cc(O)cs1)c1ccc(Cl)cc1	787927414	FIKFYKAVMCHOTO-GFCCVEGCSA-N	311.790	3.225	10	20	DGCD	
CCOc1cccc(CN[C@H](C)c2cc(OC)ccc2O)n1	784265521	KLVCZJQENBEDLY-GFCCVEGCSA-N	302.374	3.045	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccn(CC(C)C)n1	896056070	BEYVIIWIRDHTNZ-UHFFFAOYSA-N	315.417	3.297	10	20	DGCD	
COCCOc1ccc(CN(C)c2ccc(OC)c(F)c2)o1	893464731	MALAGTOALHGIRJ-UHFFFAOYSA-N	309.337	3.089	10	20	DGCD	
COc1ccc(CNCCc2ccc(Cl)cc2)c(O)c1OC	892422506	BDIXXXSFWZJUAJ-UHFFFAOYSA-N	321.804	3.395	10	20	DGCD	
COc1ccc(CNCc2c(OC)cccc2OC)cc1C	796283368	KNUJAMLOQHTXNH-UHFFFAOYSA-N	301.386	3.311	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@H](O)CCc1ccccc1	790986885	YUBOVJFROHFIGD-CYBMUJFWSA-N	323.795	3.268	10	20	DGCD	
Cc1nn(C)c(CNCc2cc(Cl)ccc2O)c1Cl	895155526	KLNVGRPDQACZSO-UHFFFAOYSA-N	300.189	3.031	10	20	DGCD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cc(O)cs2)cc1	798121703	DMENPBBYJXXYJQ-UONOGXRCSA-N	303.383	3.138	10	20	DGCD	
C[C@H](CO)N(Cc1ccccc1)Cc1cc(Cl)ccc1O	1254017957	APRKXNIEHRSJDR-CYBMUJFWSA-N	305.805	3.429	10	20	DGCD	
O=C(O)CCN(Cc1ccccc1)Cc1cccc(F)c1O	1608722629	VHZQJYNVIIDMID-UHFFFAOYSA-N	303.333	3.008	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1cc(C(=O)O)ccc1O)c1ccccc1	1606679247	AYPMPCKJOVEYLU-YVEFUNNKSA-N	315.369	3.129	10	20	DGCD	
COc1ccc(N(C)Cc2cncc(C(=O)O)c2)cc1Cl	1599584506	VKLGJOAIPAJHOQ-UHFFFAOYSA-N	306.749	3.078	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(Cl)cc(Cl)c1	158909773	ZHXLIWLTSJPLMV-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
CC[C@H]1CO[C@@H](C)CN1Cc1c(O)cccc1Br	707146665	QDPJWOLCPRYMHV-QWRGUYRKSA-N	314.223	3.154	10	20	DGCD	
C[C@H](NC[C@@H](CO)c1ccccc1)c1ccc(F)c(F)c1O	187748064	IPZQRMZOZMTSEF-AAEUAGOBSA-N	307.340	3.097	10	20	DGCD	
Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1ccccc1O	183705461	QIOLUIANDCONHU-CYBMUJFWSA-N	313.401	3.105	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CCN2CCC[C@@H]2C1	316871783	WNZLDZRJAGAMAG-QXSJWSMHSA-N	300.446	3.465	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)SC	134001637	BYCZGTDGIVOMKD-CYBMUJFWSA-N	309.479	3.036	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)[C@H](c2ccccc2)N(C)C)c1	186456439	UQKUQMBIUXFFSH-AUUYWEPGSA-N	314.429	3.182	10	20	DGCD	
COc1cc(F)ccc1NC(=O)N(C)Cc1ccccc1O	47502221	KNNDZKTYEATGHV-UHFFFAOYSA-N	304.321	3.204	10	20	DGCD	
CC(C)O[C@@]1(C)C[C@H]1NCc1ccc(Br)cc1O	529670389	TVWOSSNJNKJLKU-KGLIPLIRSA-N	314.223	3.200	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H](C)c2ccccn2)n(C)c2ccccc12	349137173	CBHXETQVEUOWMZ-AWEZNQCLSA-N	322.412	3.442	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCc2nc(C3CC3)ncc2C1	529664050	CCIDXATZADSMPQ-UHFFFAOYSA-N	315.804	3.271	10	20	DGCD	
COc1cc(NC(=O)NCc2c(C)c3ccccc3n2C)ccn1	352516947	AVWLOPKUSBTLMR-UHFFFAOYSA-N	324.384	3.212	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)O1	268233839	YQPRLTSTIUNAPQ-DLBZAZTESA-N	304.434	3.059	10	20	DGCD	
CCN(Cc1cc(OC)ccn1)c1ccc(OC)c(OC)c1	269644989	SZJABJBLLMXDFA-UHFFFAOYSA-N	302.374	3.134	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H](C)c2ccco2)c1O	278192204	HZURNKLZLHKBKC-SNVBAGLBSA-N	306.318	3.095	10	20	DGCD	
CCCn1ncnc1CSc1ncc(-c2ccccc2)n1C	279122753	UQRDBGKNPJUSHT-UHFFFAOYSA-N	313.430	3.381	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](F)CC2CCCCC2)c1O	279720526	BQFZQCDQYAELKO-CQSZACIVSA-N	309.381	3.326	10	20	DGCD	
c1cc([C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)ccn1	367722932	BYZDUMUHELNEPC-FQEVSTJZSA-N	323.440	3.255	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1	277351298	PJWWBJBVNHQHHA-LAQRGFTBSA-N	316.445	3.122	10	20	DGCD	
CN(C)c1ccc(CNCCCCCO)c(C(F)(F)F)c1	280557275	KNSDGPUIHCXZEZ-UHFFFAOYSA-N	304.356	3.024	10	20	DGCD	
COc1ccccc1C1(C(=O)N(C)Cc2ccccc2O)CC1	299579032	BITUEAQDNULAIC-UHFFFAOYSA-N	311.381	3.091	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc(Br)ccc1O)CN(C)C	293759967	RZSGMAYRMHFULJ-GHMZBOCLSA-N	315.255	3.003	10	20	DGCD	
O=C(CCCC1CC1)NCc1cccc(Br)c1O	812557997	QCPCDZCVJLDEMK-UHFFFAOYSA-N	312.207	3.351	10	20	DGCD	
COc1ccc(N2CCC(NCCC3(OC)CCC3)CC2)cc1	815146605	SVBVLCIXRJPZTH-UHFFFAOYSA-N	318.461	3.213	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)C(C)C)C2)cc1	819590814	ZQAYLIJCZRHICT-HNNXBMFYSA-N	318.461	3.320	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cnn(C(C)(C)C)c2)c1	813330617	BDIIIEGQPXTCLS-LBPRGKRZSA-N	303.406	3.203	10	20	DGCD	
OC1(CCCNCc2ccc(N3CCCCC3)cc2)CCC1	817414341	HUROAOBWYDCJSY-UHFFFAOYSA-N	302.462	3.462	10	20	DGCD	
CC[C@@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)OC	812368607	XRQQHXYODKGTSU-KRWDZBQOSA-N	300.402	3.249	10	20	DGCD	
CC[C@H](N[C@@H](CN)C1CC1)c1ccc(Cl)c(Cl)c1O	817961227	VOKZYOFCBJWJSA-RYUDHWBXSA-N	303.233	3.477	10	20	DGCD	
CCCNC(=O)C1CCN(Cc2cc(Cl)c(C)cc2O)CC1	824548481	NOSVLUCZJMYVSF-UHFFFAOYSA-N	324.852	3.092	10	20	DGCD	
CCCc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1	828860795	HOXVFJBBJVLDGA-GFCCVEGCSA-N	301.390	3.184	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H](C)CC1	731121991	VCYCDVRFAIFKGZ-KOMQPUFPSA-N	303.450	3.473	10	20	DGCD	
CC1CCC2(CC1)OC[C@@H](CN[C@@H]1CCc3cccc(O)c31)O2	834736931	BSJXPDJKGZDKBZ-BYGOXVSRSA-N	317.429	3.291	10	20	DGCD	
COc1ccc(N(Cc2nc(C(C)C)n[nH]2)CC2CC2)cc1	831594804	ZSQGKWNMMVFZAQ-UHFFFAOYSA-N	300.406	3.353	10	20	DGCD	
COc1ccc(OCCCN[C@@H]2CCc3cccc(O)c32)cc1	834530304	FBOQVZKTEATPKE-QGZVFWFLSA-N	313.397	3.447	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3cccc(F)c3o2)c1O	743332926	WWYBFFCSEABNFW-UHFFFAOYSA-N	315.300	3.216	10	20	DGCD	
Cc1nnsc1CN(Cc1ccc(N(C)C)cc1)C1CC1	844276477	CXKICXSHQJHPHZ-UHFFFAOYSA-N	302.447	3.077	10	20	DGCD	
Oc1ccccc1CN(CCOC[C@@H]1CCCO1)C1CCCC1	741248692	BDSRIBQNZFBXAM-SFHVURJKSA-N	319.445	3.332	10	20	DGCD	
CC[C@H](N[C@H](CO)CCF)c1ccc(Cl)c(Cl)c1O	846208015	FHLAAPMCHSIXRH-KWQFWETISA-N	310.196	3.460	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCS[C@H]2C)c(C)n1-c1ccccn1	844115875	PPOJCPMYZAQDPT-DZGCQCFKSA-N	315.442	3.113	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@@H]2CO[C@H](C)C2)c1O	842930720	ZOBZFXQAQMPVIH-SCVCMEIPSA-N	314.223	3.291	10	20	DGCD	
CC(C)COC[C@H](O)CN(C)c1ccc(-c2nccs2)cc1	846995264	ZGDIFNBUMNCCEX-MRXNPFEDSA-N	320.458	3.280	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)CCc2ccccc2)cc1OC	754019040	OLUCDAYULVFZIG-KRWDZBQOSA-N	315.413	3.134	10	20	DGCD	
COC[C@H](NC(=O)c1sccc1-n1c(C)ccc1C)C1CC1	750167598	ZDHMNMBTPGXTBC-AWEZNQCLSA-N	318.442	3.310	10	20	DGCD	
CN(C)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	757718359	REWQGSNLIBYKHX-UHFFFAOYSA-N	304.777	3.424	10	20	DGCD	
COc1cc2c(cc1CN(C)Cc1ccccc1O)O[C@@H](C)C2	768872050	AOFQYXKJPLXNTR-ZDUSSCGKSA-N	313.397	3.356	10	20	DGCD	
COC(=O)c1cnc(SCc2cccc3c2CCOC3)s1	865369323	RBVARSVPUUICOX-UHFFFAOYSA-N	321.423	3.295	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@H](C)C(=O)c2ccccc2)c1	862760276	OYOOKMUGBHYQAX-AWEZNQCLSA-N	311.381	3.226	10	20	DGCD	
CN(CCOCC1CC1)Cc1c(O)cccc1Br	862250281	MIYZPBFQDOUQPX-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCC(=O)c3ccccc32)c1	862755114	DJTLCUFGVZMEMX-INIZCTEOSA-N	309.365	3.077	10	20	DGCD	
CCN(CCC1CC1)Cc1ccc(N2CCC(O)CC2)cc1	877353711	VYRDSCLNPWJABR-UHFFFAOYSA-N	302.462	3.270	10	20	DGCD	
CN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(O)c(O)c1	779489481	PKBVMQTYSTYKFJ-XVNBXDOJSA-N	323.801	3.485	10	20	DGCD	
CCOc1ccc(CN2CCc3cc(F)ccc3C2)c(O)c1	779599395	SHEGSABVVDJPRV-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3ccccc3C2(C)C)c(O)c1O	781015144	TUNQEASYOLRAPZ-UHFFFAOYSA-N	311.381	3.340	10	20	DGCD	
COCCOc1ccc(CN[C@@H](C)c2c(O)cccc2F)cc1	886502569	DJKIJHDVWQWMAW-ZDUSSCGKSA-N	319.376	3.407	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC(C)(C)OC)cc1	782072733	VNRYTQPAGNCJRZ-UHFFFAOYSA-N	306.450	3.306	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCC(F)(F)C2)c1	797586976	OJFJRTZIXDJXBI-QWRGUYRKSA-N	313.344	3.265	10	20	DGCD	
CCC(=O)N[C@H](C)CCCCNCc1ccc(OC)c(C)c1	1168617192	ICXBGCYOZYPUMP-OAHLLOKOSA-N	306.450	3.178	10	20	DGCD	
CC[C@@H](C)[C@@H](C)C(=O)NCCCNCc1ccc(OC)c(C)c1	1169401276	RSSQEIZTZRSMJJ-GDBMZVCRSA-N	320.477	3.282	10	20	DGCD	
O[C@H](CCc1ccccc1)CNCc1ccc(N2CCCC2)cc1	1323786852	ZSCAEXFDLRYYAD-OAQYLSRUSA-N	324.468	3.370	10	20	DGCD	
O=C(O)c1cnc(SCC(=O)c2c[nH]c3ccccc23)s1	1602537156	LJVNZNVBHQPJHN-UHFFFAOYSA-N	318.379	3.298	10	20	DGCD	
O=C(O)C1=CC[C@H](NCc2cc(-c3ccccc3)ccc2O)C1	1608585860	FYPBEALXFJNWQR-KRWDZBQOSA-N	309.365	3.322	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CC(=O)O)C(C)(C)C)c(C)c1	1776856621	RKJNAIYELDNCLB-MRXNPFEDSA-N	306.450	3.430	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H](CO)Cc2ccccc2)cc1	158249448	VXWKNUJAXBEHHC-VQIMIIECSA-N	312.457	3.397	10	20	DGCD	
COc1cccc(CNC(=O)Cc2c[nH]c3c(C)cccc23)c1O	156156930	YLHXAYJUMGGGDM-UHFFFAOYSA-N	324.380	3.049	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)NCc1cc(Cl)ccc1O	227687560	NWYSCQHVPWGZOG-SNVBAGLBSA-N	314.813	3.048	10	20	DGCD	
COC(=O)c1cc(CN(C)Cc2cc(C)ccc2O)oc1C	122436953	OHFNKYYOQAXEEY-UHFFFAOYSA-N	303.358	3.021	10	20	DGCD	
Cc1onc(-c2ccccn2)c1C(=O)N(C)Cc1ccccc1O	135034443	OAKHENRBACHRKQ-UHFFFAOYSA-N	323.352	3.023	10	20	DGCD	
CCc1cnc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)s1	174219009	VDRZEOINTOMADW-VIFPVBQESA-N	321.402	3.302	10	20	DGCD	
COc1cc(N(C)Cc2ncc(C)s2)cc(OC)c1OC	180509618	NANZPBWHOBVAAS-UHFFFAOYSA-N	308.403	3.114	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2c(F)cccc2[N+](=O)[O-])c1	182434330	TZLAOMGTKOURLY-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2ncc(C)c(OC)c2C)c1	183783294	UBTPIARKPXWLIB-UHFFFAOYSA-N	316.401	3.053	10	20	DGCD	
C[C@H](NCCCN(C)CC(F)(F)F)c1cc(F)ccc1O	185027220	YMSBKQLRJFADDE-JTQLQIEISA-N	308.319	3.066	10	20	DGCD	
CCC(O)(CC)CN[C@@H](C)c1cc(Br)ccc1O	185231178	FNTNOSQVPWRJFZ-JTQLQIEISA-N	316.239	3.356	10	20	DGCD	
O=C1CSc2ccc(NCc3cc(F)ccc3O)cc2N1	226581825	ZTSZIYYWXWPICZ-UHFFFAOYSA-N	304.346	3.188	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(N)=O	255426442	LFJMWNJDLXDDSU-NSHDSACASA-N	311.345	3.097	10	20	DGCD	
CCOc1cccc(CN[C@@](C)(CO)C2CCCCC2)c1O	265760651	JRUHUPJTSVZWTL-SFHVURJKSA-N	307.434	3.212	10	20	DGCD	
COc1c(C)cc(S(=O)(=O)Nc2ccc(O)cc2C)cc1C	266480867	SYFXAYOVRATRBF-UHFFFAOYSA-N	321.398	3.127	10	20	DGCD	
COc1cccc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1O	284430438	RWYCBWDTIJBEHR-GXTWGEPZSA-N	316.228	3.417	10	20	DGCD	
COc1ccc(N(Cc2cnn(C)n2)Cc2cccs2)cc1	289418890	VZQBGULBXZHRLG-UHFFFAOYSA-N	314.414	3.092	10	20	DGCD	
Cc1cncc(CCC(=O)NCc2ccc(N3CCCC3)cc2)c1	291979308	JJNRJVDRGDHYIF-UHFFFAOYSA-N	323.440	3.239	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O	293933971	HQSWKCFHILWABN-DLBZAZTESA-N	323.820	3.198	10	20	DGCD	
CN(C)[C@H](CN[C@H]1CCc2cccc(O)c21)c1cccs1	295992085	NTQKXIJTGTXCKK-UONOGXRCSA-N	302.443	3.334	10	20	DGCD	
CN(C)c1ccc(CN(Cc2noc(C3CC3)n2)C2CC2)cc1	299123647	VWIATUPVQRDXEU-UHFFFAOYSA-N	312.417	3.178	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2ccnc(F)c2)C2CC2)cc1	299474218	CJLQOVGEAURJFC-UHFFFAOYSA-N	313.376	3.092	10	20	DGCD	
C[C@@H](NC[C@H]1OCCc2ccccc21)c1cc(F)ccc1O	371869751	KEVJZJSOSWXRIO-KZULUSFZSA-N	301.361	3.496	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)C(C)(C)C(C)C)CC2)cc1	373688742	WHSQLEOAYXEAJM-UHFFFAOYSA-N	318.461	3.416	10	20	DGCD	
CC[C@H]1CO[C@@H](C)CN1Cc1ccc(Br)cc1O	691680196	UDOBWZRUXYYTMU-GWCFXTLKSA-N	314.223	3.154	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)cn1	736067128	GUOJYNQRAXHMIE-UHFFFAOYSA-N	303.793	3.073	10	20	DGCD	
CO[C@H](C)c1nc(CNCc2cc(Cl)ccc2O)cs1	752266466	QTOBWPQFSXGUOZ-SECBINFHSA-N	312.822	3.499	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCc2nc(C)no2)cc1	772958426	GOQPRPAYELNBIV-ZDUSSCGKSA-N	302.422	3.118	10	20	DGCD	
C[C@H](NC(=O)CCc1cscn1)c1ccc(N(C)C)cc1	773023859	KSYYPOGVLPNTNT-LBPRGKRZSA-N	303.431	3.019	10	20	DGCD	
CCOC(=O)[C@]1(C(C)C)CCN(Cc2cc(C)ccc2O)C1	775199735	GCBZIPHJYUCAAO-GOSISDBHSA-N	305.418	3.112	10	20	DGCD	
CC[C@H](NC[C@H](O)COCC(C)C)c1cc(Cl)ccc1O	775487816	DXJDXVGEWQRERF-ZFWWWQNUSA-N	315.841	3.120	10	20	DGCD	
CC(C)[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	784349514	FCGSPIQRHWDDSW-JOCQHMNTSA-N	320.385	3.286	10	20	DGCD	
Cc1cc(C)c([C@@H](C)Nc2ccc(N(C)CCO)cn2)c(O)c1	788704161	NBEFUTKTFKEZAV-CQSZACIVSA-N	315.417	3.006	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](C)[C@@H](O)c2ccc(C)cc2)c1	796492872	YUJSNUQILYSAJE-IFXJQAMLSA-N	315.413	3.311	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cccc(F)c2F)c(O)c1	797619026	PEHSGRKIAWNTLR-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
OCC[C@H](Cc1ccccc1)NCc1c(O)cccc1Cl	799351029	ZVIQMPQFLZIVHO-CQSZACIVSA-N	305.805	3.129	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CO)C2CCCC2)cc1F	810178384	ODILJJGIUYDELW-KRWDZBQOSA-N	308.441	3.313	10	20	DGCD	
Cc1cccc2c1OC[C@@H](N[C@@H](C)c1cc(F)ccc1O)C2	810259813	TVXISLYSXACOHX-WFASDCNBSA-N	301.361	3.494	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)c3cscn3)C2)cc1	818342522	SCNKEFKIHPKGSP-KGLIPLIRSA-N	317.458	3.329	10	20	DGCD	
CC[C@@H](CNCc1cc(C)c(C)cc1O)NC(=O)OC(C)(C)C	824660515	DGKNYGVUIYLZKQ-HNNXBMFYSA-N	322.449	3.402	10	20	DGCD	
CO[C@H]1C[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C12CCC2	832208422	ACAMHAJXFAAOEN-CVEARBPZSA-N	321.392	3.123	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C(=O)O)c2ccccc2F)c1	833734028	ZTVKOONQUVNROE-MGPLVRAMSA-N	319.332	3.016	10	20	DGCD	
Cc1cc(NCc2ccccc2O)ccc1OCCN(C)C	839183426	ABAZRXZYYQIUAD-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
COc1ccc([C@H](CN)CN(C)c2ccc(OC)c(F)c2)cc1	842473482	VOVZBXBPVUFFQZ-CQSZACIVSA-N	318.392	3.022	10	20	DGCD	
CC[C@H](N[C@H](CO)CCF)c1ccc(C(F)(F)F)cc1O	846096655	JMIANYDKOJHBAU-JQWIXIFHSA-N	309.303	3.172	10	20	DGCD	
COc1cc(CN[C@@H](C)c2ccn(C)n2)c(O)c(C(C)(C)C)c1	850325196	WTISTANWISEBCY-LBPRGKRZSA-N	317.433	3.283	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H](C3CCCCC3)C1)[C@H](O)CO2	853553351	DNUDELYALYGMKL-RDTXWAMCSA-N	317.429	3.220	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCCN1CC(F)F)c1ccc(C)cc1O	858479359	PQYWSQBNPANRNB-DZGCQCFKSA-N	312.404	3.471	10	20	DGCD	
CCc1cccc(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)c1O	862540327	CKUKRAIBSKLUAB-ZDUSSCGKSA-N	322.449	3.300	10	20	DGCD	
OC1CCN(c2ccc(CN3CCCCCCC3)cc2)CC1	876528476	QPHLCXHAESVUHT-UHFFFAOYSA-N	302.462	3.414	10	20	DGCD	
Cc1ccc(CN2CCO[C@H](c3ccccc3F)C2)c(O)c1	876682785	OGYGLXSVHMBTCB-SFHVURJKSA-N	301.361	3.413	10	20	DGCD	
CN(C)c1ccc([C@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1F	877858176	IDFUDVSNHMNYAF-OAHLLOKOSA-N	321.302	3.024	10	20	DGCD	
Cc1cc(O)c([C@@H]2NC(=O)c3cc(F)c(F)cc3N2)cc1Cl	877861315	YXBFIRSDEUYDFL-AWEZNQCLSA-N	324.714	3.486	10	20	DGCD	
CCCN(Cc1ccc(OCCOC)o1)c1ccc(CN)cc1	894046922	PQFWXVQVQYGUHF-UHFFFAOYSA-N	318.417	3.180	10	20	DGCD	
CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)ccc1O	916232027	FFUMPRMHCDRAFF-KRWDZBQOSA-N	312.369	3.377	10	20	DGCD	
COc1cccc(O)c1CN(C)Cc1cc(C(C)(C)C)n[nH]1	1116826874	PONHUZJRAGHCBB-UHFFFAOYSA-N	303.406	3.053	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)COc2ccccc2F)c1O	1119444052	ZITSARHDDHNDTL-ZDUSSCGKSA-N	319.376	3.405	10	20	DGCD	
Cc1noc([C@@H]2CCCN2Cc2ccc(N3CCCC3)cc2)n1	1204320918	DNYLYAQUTCCCII-KRWDZBQOSA-N	312.417	3.315	10	20	DGCD	
O=C(CCNc1ccccc1)NCCCSc1nccs1	1318552499	GDNHSOGIPRYNCM-UHFFFAOYSA-N	321.471	3.244	10	20	DGCD	
CC(C)Oc1cccc(CNC(=O)NCc2ccc(N)cc2)c1	1335401080	XHVGYXCOQRKMFI-UHFFFAOYSA-N	313.401	3.055	10	20	DGCD	
CCOc1cccc(NCc2ccc(OC)c(OC)c2O)c1	1355225129	AZYQDCWQUOWINU-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
CC(C)c1[nH]c(CNCc2cccc(Cl)c2O)cc1C(=O)O	1591917987	IMPDSYBVFZSKSG-UHFFFAOYSA-N	322.792	3.485	10	20	DGCD	
COc1cc(C(=O)O)ccc1NCc1ccc(Cl)cc1O	1599375446	XTOJKUIQCFBRKE-UHFFFAOYSA-N	307.733	3.365	10	20	DGCD	
COc1cc(F)cc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)c1	1610296103	LORMOVBEYGVFAK-JTQLQIEISA-N	319.332	3.089	10	20	DGCD	
Cc1cc(F)cc(C(=O)N(C)Cc2ccccc2O)c1[N+](=O)[O-]	176772041	LFCLMVHSJMWCEI-UHFFFAOYSA-N	318.304	3.020	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCOC1	171026331	WYWBTODGEIGJPQ-QGZVFWFLSA-N	316.445	3.062	10	20	DGCD	
CCCN(CC(=O)OCc1ccccc1)Cc1ccccc1O	303414723	VXGRKSHACUDGKT-UHFFFAOYSA-N	313.397	3.348	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2[nH]cnc2c1	174518601	WHHSLAFDLXLWDO-UHFFFAOYSA-N	321.380	3.077	10	20	DGCD	
COCCC1(CNCc2cc3c(cc2O)OCO3)CCCCC1	185225083	XLAVZDHGEDUJAV-UHFFFAOYSA-N	321.417	3.198	10	20	DGCD	
CSCc1cccc(CNCc2cc([N+](=O)[O-])ccc2O)c1	189476149	SQVLKGMWJFMENF-UHFFFAOYSA-N	318.398	3.453	10	20	DGCD	
Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(O)c1C	48386219	GRIHNAJODLIZMT-UHFFFAOYSA-N	312.413	3.347	10	20	DGCD	
NCCc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1	321770343	OCCWBTVGIDWWCI-UHFFFAOYSA-N	309.413	3.040	10	20	DGCD	
Cc1ccccc1C[C@@H](C)NC(=O)CSc1nccs1	48876468	QVBAGUXONMMVRM-GFCCVEGCSA-N	306.456	3.291	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2CCC[C@@H](C)C2)cc1Cl	131449171	LLJLGXRSKALZHE-GFCCVEGCSA-N	310.825	3.043	10	20	DGCD	
COCCN(Cc1cnc(C)s1)c1ccc(OC)c(OC)c1	83212548	GSSDKGOKRRGQPL-UHFFFAOYSA-N	322.430	3.122	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C	93480874	SMPJEMMACPHEDV-GJZGRUSLSA-N	306.425	3.140	10	20	DGCD	
CCc1cncc(C(=O)NCc2c(C)c3ccccc3n2C)c1	348701624	QYRULPOHFAZLAI-UHFFFAOYSA-N	307.397	3.374	10	20	DGCD	
CO[C@H]1CCCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C	352080366	XVTBKHTVGDNIDQ-YJBOKZPZSA-N	314.429	3.308	10	20	DGCD	
CC[C@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	272759035	PEPGOUOCUKYJLA-ZFWWWQNUSA-N	322.424	3.103	10	20	DGCD	
C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1	271512905	NILWQJZOCOHSLV-KBXCAEBGSA-N	316.420	3.146	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(F)c(C)c1	808095638	MMDNMLNGGVCQMW-UHFFFAOYSA-N	308.349	3.255	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1F	800331569	YNSSFUHJAUJNCN-IIYDPXPESA-N	322.424	3.102	10	20	DGCD	
CCCOc1ccc(CN(C)[C@@H](CO)c2ccccc2)c(O)c1	295143680	ZYTNZSUXQPTFMC-SFHVURJKSA-N	315.413	3.346	10	20	DGCD	
O=C(Nc1nc(C2CCOCC2)cs1)c1cc(O)cs1	807755210	KKERSYZTZFOTOE-UHFFFAOYSA-N	310.400	3.057	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)nn1	295867887	FLWYHSVXIHWTKZ-UHFFFAOYSA-N	319.792	3.278	10	20	DGCD	
CCOc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1	299223024	IEKNECLSDMMGNP-UHFFFAOYSA-N	314.385	3.133	10	20	DGCD	
C[C@@H]1CCCN(C[C@@H](C)NCc2cc(Cl)c(F)cc2O)C1	816538219	JJCPUWWQDWKWGT-VXGBXAGGSA-N	314.832	3.395	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CCc2cccnc21)c1ccc(N(C)C)cc1	819931752	SWKUQYISBQHNHK-SUMWQHHRSA-N	309.413	3.055	10	20	DGCD	
Cc1cc(CN[C@@H](CO)c2c(F)cccc2F)ccc1N(C)C	815086241	IVBFSHRVRXWISE-INIZCTEOSA-N	320.383	3.162	10	20	DGCD	
COc1cccc(CNC[C@@H]2CSc3ccccc32)c1O	824482695	CJBXRUIBPLEMDH-CYBMUJFWSA-N	301.411	3.380	10	20	DGCD	
CC[C@H]1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])c(OC)c1O	824653766	HHYWCALRKJLXMM-NWDGAFQWSA-N	308.378	3.225	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CC[C@@H]3SCCS[C@@H]31)CC2	834697185	HBUUCTSCBAYXJN-UNIGVISCSA-N	307.484	3.349	10	20	DGCD	
CC[C@H](N[C@H]1C[C@@H]2CCCCN2C1=O)c1cccc(Cl)c1O	834916440	YTHMCLPTDVPVSS-CQDKDKBSSA-N	322.836	3.240	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2C[C@@H](OC)C23CCC3)c1O	839182841	QILNZRSRYKPBPO-UONOGXRCSA-N	311.809	3.101	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CCCCC1(F)F	837586926	HLLGGHHFQBFQCP-SMYYYNMVSA-N	312.312	3.480	10	20	DGCD	
CN(CCN[C@H]1CCc2cccc(O)c21)Cc1ccc(F)cc1	834616255	MSTSHDFQAWAIEQ-KRWDZBQOSA-N	314.404	3.240	10	20	DGCD	
C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc(N)cc1	837303041	RCJMQSBBOPGBTR-ZDUSSCGKSA-N	300.377	3.293	10	20	DGCD	
C[C@H](NC[C@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O	840879644	FRBMBTHYJPWVFS-WCQYABFASA-N	307.340	3.097	10	20	DGCD	
CC[C@H](Cc1ccccc1)NC[C@H](N)c1ccc(N(C)C)cc1	841046148	WZKXDEPBCVRUFZ-QUCCMNQESA-N	311.473	3.363	10	20	DGCD	
Cc1ccccc1NC(=O)C[C@@H](C)NCCc1ccc(N)cc1	841037170	YVVZHTLXYGITLY-OAHLLOKOSA-N	311.429	3.127	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ccoc1	840268228	PCDWMCAKPSCSQP-AWEZNQCLSA-N	315.417	3.084	10	20	DGCD	
CC(=O)NCc1ccc(NCc2ccc(N(C)C)cc2C)cc1	840926458	DKAJSYJUTKGHOP-UHFFFAOYSA-N	311.429	3.309	10	20	DGCD	
CC(C)[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	929531658	HTDWHYWEGMFINF-AEFFLSMTSA-N	318.461	3.162	10	20	DGCD	
C[C@@H](Nc1cccc2c1oc(=O)n2C)c1ccc(F)cc1O	756856482	QSKDPIDKQBTYHB-SECBINFHSA-N	302.305	3.149	10	20	DGCD	
C[C@H]1C[C@@H](NCCc2ccc(CO)cc2)c2c(O)ccc(F)c21	756788876	FVWAVODJYRPWPN-BLLLJJGKSA-N	315.388	3.404	10	20	DGCD	
C[C@@H](NCc1cccnc1O)c1cccc(C(F)(F)F)c1O	858562601	FMUASCMVMRNBML-SECBINFHSA-N	312.291	3.362	10	20	DGCD	
C[C@@]1(CNCc2ccc(N3CCC(O)CC3)cc2)CCCS1	862417943	IZOGAUHSRWFXBQ-SFHVURJKSA-N	320.502	3.023	10	20	DGCD	
COC(C)(C)CCNCc1cc(C)cc(Br)c1O	865755357	UFSPBSXZIUYXPR-UHFFFAOYSA-N	316.239	3.368	10	20	DGCD	
CCOc1cccc(CN2CC(c3nc4ccccc4[nH]3)C2)c1O	769479900	JZQWVLYQIDCHSB-UHFFFAOYSA-N	323.396	3.267	10	20	DGCD	
Cc1ccc(CNc2ccc(N3CCC(O)CC3)cc2)c(O)c1	876822337	TUSBXXDBCHFYRN-UHFFFAOYSA-N	312.413	3.274	10	20	DGCD	
CC(C)c1ocnc1CN1CCOc2cc(N(C)C)ccc21	1116465566	IFLHXPYMUKPHGH-UHFFFAOYSA-N	301.390	3.263	10	20	DGCD	
CCN(Cc1cccc(C)c1O)[C@@H]1CCN(c2ccccc2)C1=O	775695585	NWESAYPVRVQBMK-GOSISDBHSA-N	324.424	3.328	10	20	DGCD	
Cc1ccc(CN2CCCN(C(=O)c3ccccc3)CC2)c(O)c1	876595253	AREZKBWLDGUQDL-UHFFFAOYSA-N	324.424	3.049	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cc(F)ccc1F	1116836678	GROYESZPAGUJCF-UHFFFAOYSA-N	309.659	3.407	10	20	DGCD	
C[C@H](NCC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1	775834714	PIDMRCQTIPDWMY-MPGHIAIKSA-N	317.477	3.098	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CCC[C@@H]1C	1122741969	CSVKYGAVEWLFPQ-NSHDSACASA-N	306.435	3.357	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNc1cnc2c(c1)CCCC2	782216436	AMQFFXIBJWMVCR-UHFFFAOYSA-N	323.440	3.409	10	20	DGCD	
COC(=O)[C@@H]1CCN(Cc2cc(C(C)C)c(C)cc2O)[C@@H]1C	787245162	ZWOMSXYIKWKIQS-UKRRQHHQSA-N	305.418	3.207	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NC[C@H]2C=CCC2)C2CC2)cc1	883835043	YKBYHUZPJOYQIK-HNNXBMFYSA-N	313.445	3.393	10	20	DGCD	
CC[C@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)cc2C)CCO1	781642492	QZOIDPFXUPKHMH-YJBOKZPZSA-N	318.461	3.273	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnn(C)c2C2CC2)cc1	892613828	AVOLCQSNGFBNNV-UHFFFAOYSA-N	312.461	3.434	10	20	DGCD	
Cc1nc2sccn2c1CN(C)Cc1cc(F)cc(F)c1O	893994674	CMQXRKHEEOCSGN-UHFFFAOYSA-N	323.368	3.320	10	20	DGCD	
C[C@H](NCc1ccc(C[S@](C)=O)cc1)c1cc(F)ccc1O	797130986	CWRFVIHNFDSKAG-YTEVENLXSA-N	321.417	3.261	10	20	DGCD	
CCOC1(C(=O)NCc2ccc(N(C)C)cc2C)CCCC1	790529638	MJWVKIXDZTWJRH-UHFFFAOYSA-N	304.434	3.027	10	20	DGCD	
Nc1ccc(NC(=O)NC2CCC3(CCOCC3)CC2)cc1	1348525368	JDKDBLDQCHBURO-UHFFFAOYSA-N	303.406	3.130	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)ccnc1Cl	1527408972	DROACVNDFLCSJD-UHFFFAOYSA-N	321.783	3.212	10	20	DGCD	
CCn1c(C(=O)NCCc2ccc(N)cc2)cc2ccccc21	1578340513	QFQQUELWHHWHFB-UHFFFAOYSA-N	307.397	3.216	10	20	DGCD	
CC(C)c1ccc(O)c(CNCCc2ncc(C(=O)O)s2)c1	1591973901	JBABSZDSMWQNDJ-UHFFFAOYSA-N	320.414	3.003	10	20	DGCD	
Oc1c(Br)cccc1CN[C@H]1CCC(F)(F)C1	383976623	JLXWWBNRKVTSQQ-VIFPVBQESA-N	306.150	3.432	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NCc3ccsc3)ccc21	58559626	RRAQFKUFFHVCJT-UHFFFAOYSA-N	315.442	3.130	10	20	DGCD	
COC(C)(C)C[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	173756596	FMIHEHWTJKOEIF-CQSZACIVSA-N	321.465	3.098	10	20	DGCD	
O[C@@H](CNCc1ccc(N2CCCCC2)cc1)Cc1ccccc1	105493521	JAUMWWMATOBTSE-OAQYLSRUSA-N	324.468	3.370	10	20	DGCD	
COc1cccc(CNC(=O)c2sccc2SC)c1O	107352502	AVZIWMAMTLRRQQ-UHFFFAOYSA-N	309.412	3.114	10	20	DGCD	
CCN(CC)c1ccc(CNc2ncnc3nc(N)ccc23)cc1	179507992	YRALAOMSGURZBN-UHFFFAOYSA-N	322.416	3.065	10	20	DGCD	
CCc1ccc([C@H](COC)NCc2ccc(N(C)C)cc2)o1	174479280	SUJXVYSHKLPBIK-KRWDZBQOSA-N	302.418	3.385	10	20	DGCD	
CCOc1ncc(C(=O)N(C)Cc2ccccc2O)cc1Cl	112393229	UEMULOGHSDHMNK-UHFFFAOYSA-N	320.776	3.112	10	20	DGCD	
Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1C	128424665	CJTXPMIFFWECIN-UHFFFAOYSA-N	300.358	3.079	10	20	DGCD	
C[C@@H](NC[C@H]1CCCOC1)c1cc(Br)ccc1O	185089526	XUBIHLFYQUGFLF-GHMZBOCLSA-N	314.223	3.232	10	20	DGCD	
COC1CCC(N(C)Cc2cc(F)cc(C(C)=O)c2O)CC1	79436767	CQQRWPOXOCRWOD-UHFFFAOYSA-N	309.381	3.123	10	20	DGCD	
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(O)c1O	188155030	AVMLMVUXBCOSOV-UHFFFAOYSA-N	310.353	3.022	10	20	DGCD	
CC(C)N1CC[C@@H](CNCc2ccc(N3CCCCC3)cc2)C1	320265944	SFWDBWHUAWPGOQ-IBGZPJMESA-N	315.505	3.497	10	20	DGCD	
Nc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1	237975549	PLYLIBZDQMBZOJ-UHFFFAOYSA-N	306.369	3.026	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	90891320	UWYOEDWRGMCKHJ-KUHUBIRLSA-N	316.420	3.450	10	20	DGCD	
CC[C@H](N[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1O	364345482	DCXLYIHURGBLGO-RCCFBDPRSA-N	318.461	3.076	10	20	DGCD	
COCc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	273299368	AYJQQIGAMLNOAE-LBPRGKRZSA-N	316.357	3.298	10	20	DGCD	
CCN(CCc1cccs1)C(=O)c1ccc(C)c(O)c1O	272880009	XOOPESBIUKKRON-UHFFFAOYSA-N	305.399	3.173	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@]2(C)OCCc3sccc32)c1	289853024	PTTSDQHRWBJSNS-QGZVFWFLSA-N	303.427	3.340	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H](O)C1CCCCC1	816546278	DUUYLRWMAAHFRG-OAHLLOKOSA-N	301.789	3.216	10	20	DGCD	
COc1cccc(O)c1CN1CCCN2c3ccccc3C[C@@H]2C1	811512617	HEYJKAJGRRSXCB-MRXNPFEDSA-N	324.424	3.038	10	20	DGCD	
CN(Cc1cc(Cl)c(F)cc1O)C[C@H](O)Cc1ccccc1	816625246	XYTVPVVYKAVHFX-CQSZACIVSA-N	323.795	3.220	10	20	DGCD	
Cc1cccc2c1OC[C@H](N[C@@H](C)c1cc(F)ccc1O)C2	810259812	TVXISLYSXACOHX-SWLSCSKDSA-N	301.361	3.494	10	20	DGCD	
CN(c1ccc(CNC(=O)c2cnc[nH]2)cc1)C1CCCCC1	725891426	CPLPASAUWJDAMK-UHFFFAOYSA-N	312.417	3.109	10	20	DGCD	
COc1cccc(CN2CCC([C@H]3CCCCO3)CC2)c1O	827377185	RPAZLRNYXOIHLG-MRXNPFEDSA-N	305.418	3.182	10	20	DGCD	
COc1cc(CN2CCC(CCO)CC2)c(O)c(C(C)(C)C)c1	824549227	ZOAJFRYVAMSIMV-UHFFFAOYSA-N	321.461	3.293	10	20	DGCD	
CSC[C@H]1CCCN1Cc1ccc(Br)cc1O	824889509	QMUNJTBQISVGPW-GFCCVEGCSA-N	316.264	3.482	10	20	DGCD	
CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cc(O)cs2)c1	735522776	YKWGWMVYYNKZRQ-HNNXBMFYSA-N	316.426	3.497	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1ccco1	839916287	RECLMCZHVOKZMY-OAHLLOKOSA-N	314.429	3.334	10	20	DGCD	
CC[C@@H](NC(COC)COC)c1ccc(Cl)c(Cl)c1O	834891099	MXROXMVNTYDMOU-GFCCVEGCSA-N	322.232	3.401	10	20	DGCD	
CC[C@H](CO)N(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	833337480	PWNICJJTSRYJND-MRXNPFEDSA-N	314.429	3.245	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@]1(O)CCCc3ccccc31)CC2	834576157	TUXFIKGISOMZGX-FXAWDEMLSA-N	309.409	3.193	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)CC[C@H](N)C(C)C)c1O	843354401	DUDUXYOKUIIOAE-HNNXBMFYSA-N	312.841	3.053	10	20	DGCD	
CCS[C@@H]1CCCCN(C(=O)NCCc2ccc(N)cc2)C1	841955046	UANGDMDQZMUHFD-MRXNPFEDSA-N	321.490	3.129	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]1C	840716844	BWTGMDLXGUQUBC-YSSFQJQWSA-N	316.489	3.420	10	20	DGCD	
CCc1cccc(CN[C@H](C(=O)OC)c2cccs2)c1O	848905619	KLWJIGJUENVCMS-AWEZNQCLSA-N	305.399	3.020	10	20	DGCD	
C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(Cl)cc1O	841752284	SBGBQGNHDSGUQL-WCQYABFASA-N	311.809	3.382	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H](c3nc(C)no3)C2)cc1	741754241	MBTDFJJQZYYJCJ-INIZCTEOSA-N	314.433	3.214	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@@H](F)C1	845261150	ICKFIYDVQWSEMQ-GDBMZVCRSA-N	321.440	3.136	10	20	DGCD	
COc1ccc(O)c(CN(CC(=O)OC(C)(C)C)C2CCC2)c1	848927678	KJOZZTCCRXOCJH-UHFFFAOYSA-N	321.417	3.097	10	20	DGCD	
CCOCCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	743503214	NWGXXUXECIYIAN-UHFFFAOYSA-N	321.421	3.101	10	20	DGCD	
C[C@H](N[C@H](C)C[C@H](O)c1ccco1)c1cc(F)cc(F)c1O	756677175	PZVGMFOMHLEBCX-BFVZDQMLSA-N	311.328	3.426	10	20	DGCD	
CC(C)(C)c1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)co1	922546145	YTNCHNGQGYQOGY-ALCCZGGFSA-N	317.341	3.140	10	20	DGCD	
Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cnc1F	857714495	PYKUREBNIHNNAQ-UHFFFAOYSA-N	314.360	3.044	10	20	DGCD	
CCOC(=O)[C@@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1	768438011	NQFIERXZFKQALK-MRXNPFEDSA-N	317.429	3.046	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2CN2CCCCC2)c(O)cc1C	768446287	JHMZLRFRUURMQG-QGZVFWFLSA-N	318.461	3.160	10	20	DGCD	
C[C@@H](NCCc1cnccn1)c1ccc(N2CCCCC2)cc1	775419607	VNVPDPXGTQHCCM-MRXNPFEDSA-N	310.445	3.360	10	20	DGCD	
CN(CCC(=O)OC(C)(C)C)Cc1cc(Cl)cc(F)c1O	775723569	HREYWNVGAIOMGI-UHFFFAOYSA-N	317.788	3.348	10	20	DGCD	
C[C@@H](NCCc1cnccn1)c1cc(Cl)c(Cl)cc1O	774271362	IZOFBMJBOQIQCC-SECBINFHSA-N	312.200	3.382	10	20	DGCD	
O=C(Nc1nc2c(s1)CCCCC2)c1c(F)ccc(O)c1O	789964175	KFUJDDUYTQIAFY-UHFFFAOYSA-N	322.361	3.215	10	20	DGCD	
CCOC(=O)[C@@](C)(NCc1cc(F)ccc1O)c1ccccc1	895894678	NYNCTTKIOOGEAD-SFHVURJKSA-N	317.360	3.099	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)C(C)C)cc1C	1133764576	JBYJKMMXPQVDFZ-LSDHHAIUSA-N	306.450	3.033	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@@]2(C)CCC[C@@H]2C)cc1C	1133444775	ZKINSGPCLMXTMQ-KXBFYZLASA-N	318.461	3.036	10	20	DGCD	
CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	799859732	WSKYOKPQHDPWKO-GFCCVEGCSA-N	309.841	3.395	10	20	DGCD	
C[C@@H]1CC[C@H](NCc2ccccc2O)CN1C(=O)OC(C)(C)C	399181847	LWKFJBOEJGBVLO-HIFRSBDPSA-N	320.433	3.270	10	20	DGCD	
Cc1cccc(CNC[C@@H]2CCN(Cc3ccccc3)C2)c1O	192927281	QPWZGIRNNVAHEI-SFHVURJKSA-N	310.441	3.312	10	20	DGCD	
COc1cc(O)c(CN2CC(c3ccc(F)cc3)C2)cc1OC	1325012726	IXTXRTLJXOEXTP-UHFFFAOYSA-N	317.360	3.148	10	20	DGCD	
Cc1cc(C)cc([C@H](NCc2ccc(F)c(F)c2O)C(=O)O)c1	1607626237	VUISWRBCINTNKT-HNNXBMFYSA-N	321.323	3.203	10	20	DGCD	
CC[C@@H](NCc1c(C)nn(C)c1C)c1ccc(N(C)C)cc1	151154880	SJKYLGUFWHXXIS-GOSISDBHSA-N	300.450	3.344	10	20	DGCD	
C[C@@H](NCc1cc(Br)ccc1O)[C@@H]1CCCOC1	389098029	RCHFZDYDJLMFBQ-GHMZBOCLSA-N	314.223	3.059	10	20	DGCD	
Cc1cccc(OCC(=O)NCc2ccc(N(C)C)cc2C)c1	115280053	ICNVCJDXKRPVSB-UHFFFAOYSA-N	312.413	3.065	10	20	DGCD	
CCc1ccc(CNC(=O)NCc2cc(OC)ccc2O)s1	114588548	KCTPVQFGFRKZKR-UHFFFAOYSA-N	320.414	3.024	10	20	DGCD	
COc1cccc(CNC(=O)CCn2ccc3ccccc32)c1O	68488898	UQKNPEWOJFYYIO-UHFFFAOYSA-N	324.380	3.062	10	20	DGCD	
COc1ccc(N(Cc2nc([C@H](C)OC)no2)C(C)C)cc1F	177668117	YOLBNODWLXFIPK-NSHDSACASA-N	323.368	3.340	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccc(C)nc1	66699812	ZZOZAQJGGKZMHQ-UHFFFAOYSA-N	313.401	3.217	10	20	DGCD	
COC(=O)Nc1ccc(NCc2cccc(OC)c2O)cc1	122405618	HMCYCSQADWMRHE-UHFFFAOYSA-N	302.330	3.191	10	20	DGCD	
O=C(/C=C/Sc1ccccc1)NCc1ccc(O)c(O)c1	182512611	ZDWPNCVQSBYSPX-CMDGGOBGSA-N	301.367	3.020	10	20	DGCD	
CC[C@H](O)CCN[C@H](C)c1cc(Br)cc(C)c1O	187308737	PKLIZWJANLRICO-PWSUYJOCSA-N	316.239	3.275	10	20	DGCD	
COc1cc(Cl)c(C)cc1NC(=O)c1cccc(O)c1O	126201845	AKBIHCNXRDHJPJ-UHFFFAOYSA-N	307.733	3.321	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCCCN2C[C@H](C)O[C@H](C)C2)c1	185206424	NBPPNTJKIWOKNP-IXDOHACOSA-N	320.477	3.241	10	20	DGCD	
CNC(=O)c1cccc(NCc2cc(Cl)ccc2O)c1C	37107562	FHSKRHBOVKZUKB-UHFFFAOYSA-N	304.777	3.326	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	188759471	CLGOUVUPRAJCCA-KCQAQPDRSA-N	305.418	3.361	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1	193949891	HLVKPPIYQQFPEO-KZNAEPCWSA-N	300.446	3.190	10	20	DGCD	
CC(=O)NC1CCC(NCc2c(C)c3ccccc3n2C)CC1	355124600	ONMYAHBFJXEPRX-UHFFFAOYSA-N	313.445	3.024	10	20	DGCD	
CC[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1	271585207	XLBRLIFFENRVPS-UONOGXRCSA-N	304.356	3.107	10	20	DGCD	
CCCC[C@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	282114083	KAULSNHGSWESOF-AWEZNQCLSA-N	322.424	3.105	10	20	DGCD	
CC[C@@H](NCCCC(=O)NC)c1cc(Cl)cc(Cl)c1O	806135289	RVKNVRLMBCXIKM-GFCCVEGCSA-N	319.232	3.266	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1F	293678941	POSUEFVKKAETSJ-SFHVURJKSA-N	318.436	3.283	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNc1cnccc1-n1cccn1	809632997	ZQHVTSQPDGOUPB-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@@H](CC)c1cccc(Cl)c1O	806160476	SASKNTTXHBQXFI-SOUVJXGZSA-N	313.825	3.280	10	20	DGCD	
CN(CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1O	296658494	XECJHHHLIDTOTN-UHFFFAOYSA-N	314.813	3.002	10	20	DGCD	
Oc1ccc2c(c1)OCCN(Cc1cc(Cl)c(F)cc1O)C2	816608566	CQNNHIJYCYLQIE-UHFFFAOYSA-N	323.751	3.285	10	20	DGCD	
CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)(C)C	812893381	SPOHQOVIRZVHGN-UHFFFAOYSA-N	319.493	3.079	10	20	DGCD	
NC(=O)Cc1ccc(NCc2ccc3ccccc3c2O)cc1	816522806	OTYOROULCLHAQY-UHFFFAOYSA-N	306.365	3.185	10	20	DGCD	
COC1([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2O)CCOCC1	817588402	ORLMWRUALIYNEV-NWDGAFQWSA-N	313.825	3.280	10	20	DGCD	
C[C@@H](NCCc1ccnn1C)c1cccc(C(F)(F)F)c1O	815616682	VTLSCPCWXWGZET-SNVBAGLBSA-N	313.323	3.038	10	20	DGCD	
Cc1csc(CNCc2ccc(N3CCOCC3)c(F)c2)c1	824750784	OPVXCZRCXQDNLH-UHFFFAOYSA-N	320.433	3.322	10	20	DGCD	
CCOc1ccc(CN[C@H](C(C)C)[C@H](CO)C(C)C)c(O)c1	824845366	KFDCQLAXCQJSRU-SJLPKXTDSA-N	309.450	3.170	10	20	DGCD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NCc1cccc(Br)c1O	830529105	DBCSLFHCVLMVOZ-JFGNBEQYSA-N	324.218	3.207	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H]2CCOC(C)(C)C2)c1O	835059013	FAKYXSRMUWQCSK-LLVKDONJSA-N	313.825	3.349	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(C)nc2C(C)C)c(O)c1	831617379	AOCCSVDMFDJJLI-UHFFFAOYSA-N	314.385	3.158	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C(=O)O)C1	902014806	GPCNROZPTMWEBR-QAPCUYQASA-N	316.445	3.362	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@]2(C)CCO[C@@H]2C2CC2)c1O	846165685	XQCVWQWLRHKRGG-JBBXEZCESA-N	305.418	3.257	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@@H](C)C2)cc1	844856256	MLXVLGPHAPJDDN-CABCVRRESA-N	304.434	3.026	10	20	DGCD	
CCc1ccc(NC(=S)NCc2ncccc2OC)cc1	840826414	XNEULXPTPWAIMF-UHFFFAOYSA-N	301.415	3.139	10	20	DGCD	
CCC[C@@]1(C)CCCN(C(=O)NCCc2ccc(N)cc2)C1	841958741	SCRQJGHHEAJAKH-SFHVURJKSA-N	303.450	3.423	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(N2CCC2=O)cc1	840942602	LCAHCXTYBCNVBR-UHFFFAOYSA-N	309.413	3.410	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)N2CCCCCC2)cc1	746159500	UPHBNRFGAWCYSC-UHFFFAOYSA-N	304.434	3.314	10	20	DGCD	
C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)cc1O	841759682	PJHDAKUMMHNIFG-HKJPBSJPSA-N	303.789	3.355	10	20	DGCD	
COc1cc(CN2CCC([C@@H]3CCCCO3)CC2)c(O)cc1C	853572473	SUJKCRLGBZQNPG-SFHVURJKSA-N	319.445	3.490	10	20	DGCD	
O=[N+]([O-])c1cccc2c1CCN2Cc1c(O)ccc2ccncc12	754775473	BDABRWNJYJWWLD-UHFFFAOYSA-N	321.336	3.411	10	20	DGCD	
C[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)c1cc2c(cc1O)CCCC2	756646226	JQSQWIQDCZLBMY-TYILLQQXSA-N	314.473	3.404	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](C)C2)c1	859048992	WEESQCDDEDWPNU-ZDUSSCGKSA-N	310.397	3.389	10	20	DGCD	
COC(=O)N(C)CCN[C@H](C)c1cc(Cl)c(Cl)cc1O	850548351	OZWCCOYJAZHNAP-MRVPVSSYSA-N	321.204	3.048	10	20	DGCD	
CO[C@@H](C)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C	863164854	CYOCTLUBVDVQSD-AWEZNQCLSA-N	300.402	3.135	10	20	DGCD	
CN1CCC[C@@H](CN(C)Cc2ccc(N3CCCCC3)cc2)C1	768546298	IIHHNFLCIZKFQL-LJQANCHMSA-N	315.505	3.451	10	20	DGCD	
CCCC1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1	760401303	ULBBIUAMWCXETI-OAHLLOKOSA-N	316.445	3.281	10	20	DGCD	
CC1(C)CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	768733721	XVUZUZYWAQUENM-INIZCTEOSA-N	313.445	3.441	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)sn1	876987151	QLZRQPVYKRGUMG-AWEZNQCLSA-N	317.458	3.139	10	20	DGCD	
COc1ncc(/C=C\C(=O)N(C)c2cccc(C(C)C)c2)cn1	775819286	GXQDOKUSNCTMBQ-HJWRWDBZSA-N	311.385	3.285	10	20	DGCD	
CC1CCC(N(C)Cc2ccc(N3CCN(C)CC3)cc2)CC1	775644401	LFQKCSCFPZYRLW-UHFFFAOYSA-N	315.505	3.449	10	20	DGCD	
CN1CCN(c2ccc(CN(C)CC3CCCC3)cc2)CC1	775666128	SRLHDVVIUUVAMJ-UHFFFAOYSA-N	301.478	3.060	10	20	DGCD	
CC(C)COC(=O)CSc1ncc(-c2ccccc2)n1C	776280170	BUAYXHHNMIIEDT-UHFFFAOYSA-N	304.415	3.378	10	20	DGCD	
CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@H](C)c1ccccc1O	879647705	ITBYCNKAXDQJPK-QLFBSQMISA-N	304.434	3.222	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@H](OCC(F)(F)F)C1	778999809	KQGMQSMBDMOQRV-LBPRGKRZSA-N	307.287	3.075	10	20	DGCD	
CN1CCCc2cc(CNC(=O)C(C)(C)c3ccccn3)ccc21	773876726	BOJBTAWTIIXDOH-UHFFFAOYSA-N	323.440	3.058	10	20	DGCD	
C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1c(O)cccc1F	886556725	JAMMURQHAOBKMI-LRDDRELGSA-N	300.377	3.369	10	20	DGCD	
Cc1cccc(CNc2cccc(N3CCNC3=O)c2C)c1O	787312383	MSWFKPCLDSCNKL-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2cnc3c(c2)CCCC3)cc1	782257341	HCUAIPHMAUTMJT-UHFFFAOYSA-N	324.428	3.348	10	20	DGCD	
CC[C@@H](NCCN(C)CC(F)(F)F)c1ccc(F)cc1O	796765486	ZQLGCKHQKJRYGE-GFCCVEGCSA-N	308.319	3.066	10	20	DGCD	
COc1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])c(O)c1	793391414	YFAFTVBVXCZLEG-GQCTYLIASA-N	314.341	3.112	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C)CN1C	775987671	VZQRUYNTGBPJGI-NXEZZACHSA-N	303.233	3.223	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@H]1CCc2ccccc21	1324511905	AMHNZOHBARJAKX-CXSQMQJXSA-N	323.392	3.347	10	20	DGCD	
c1cn([C@@H]2CCCN(Cc3ccc(N4CCCC4)cc3)C2)cn1	1320498186	ULCHBOBVGNWRLM-LJQANCHMSA-N	310.445	3.320	10	20	DGCD	
CCCN(c1ccc(CN)cc1)C1CCN(CC(F)F)CC1	1320870241	YTMDSCHJSHEONS-UHFFFAOYSA-N	311.420	3.091	10	20	DGCD	
O=C(O)CC1(NCc2cc(Cl)cc(F)c2O)CCCCC1	1608687682	BCABJSCEQUQFFC-UHFFFAOYSA-N	315.772	3.452	10	20	DGCD	
CCN(Cc1ccoc1C(=O)O)c1ccc(OC)c(OC)c1	1610002645	GXQVDCYMWACWCC-UHFFFAOYSA-N	305.330	3.022	10	20	DGCD	
COc1ccc(N2CCC(NCCCOCC3CC3)CC2)cc1	162869940	VYADDYRDOSNMLE-UHFFFAOYSA-N	318.461	3.070	10	20	DGCD	
CCOCc1cc(/C=C2/SC(S)=NC2=O)ccc1OC	2536779	KWJNESKQBNSWIY-KPKJPENVSA-N	309.412	3.132	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCC[C@H]1C(F)(F)F	159084819	RVJOAYFPQIGRIP-WDEREUQCSA-N	317.307	3.083	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2c1CCC2	175425531	ZAOVIKWYRNVFNZ-UHFFFAOYSA-N	322.408	3.281	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N(Cc1ccco1)c1ccccn1	105368015	YVRGRXUMFUHLSZ-VOTSOKGWSA-N	323.327	3.455	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3ccccc3nc2C)c1O	105652270	GBKMTPPCCJFSSE-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2cc[nH]c2c1	115279879	WERNDUMAIBNSFE-UHFFFAOYSA-N	307.397	3.472	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1C	173290111	FZBAKMPCJMPPML-JKSUJKDBSA-N	313.445	3.393	10	20	DGCD	
Oc1ccccc1CN(Cc1csnn1)Cc1ccco1	127771362	IDBCHJMJLQWMRI-UHFFFAOYSA-N	301.371	3.039	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1CCCN2	130808702	IHRGGAATZVORRP-UHFFFAOYSA-N	323.440	3.349	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1	89726496	HXPORVNVTXGLNT-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
Cc1[nH]c2ccccc2c1CCNCc1cc2c(cc1O)OCO2	237717498	LRJCGJFDZSLTNR-UHFFFAOYSA-N	324.380	3.243	10	20	DGCD	
CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc(C)ccc2O)C1	92731433	BEQKUQAFSSETGC-HOTGVXAUSA-N	318.461	3.217	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[C@@H]1O	91898803	QUKHJZAQZAGYRO-MJGOQNOKSA-N	302.462	3.270	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1	268867087	UFVJCYNWVJJHEF-IBGZPJMESA-N	302.462	3.174	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)C(C)(C)C	265029425	FPWFOMQJHXPVRO-UHFFFAOYSA-N	304.434	3.105	10	20	DGCD	
CCCn1ncnc1CN(c1ccc(OC)c(F)c1)C(C)C	279141301	YIIYYTDCPHSAOB-UHFFFAOYSA-N	306.385	3.251	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc2c(c1)CC(=O)N2C)c1ccccc1O	272827775	HCCOOFAFPZWKDX-OLZOCXBDSA-N	310.397	3.323	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](c2ccccc2)c2cnn(C)c2)c1	374609283	FSGDRYGLJVCRRF-IBGZPJMESA-N	307.397	3.313	10	20	DGCD	
C[C@H](O)C[C@H](C)CNCc1ccc(N(C)C)cc1C(F)(F)F	280920543	PPOLWYVQAKEGDH-RYUDHWBXSA-N	318.383	3.268	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNC2(CO)CCC2)cc1	294935647	CJKXANFXQWXYER-UHFFFAOYSA-N	316.470	3.389	10	20	DGCD	
C[C@H](N[C@H]1CC[C@H](CN)C1)c1cccc(C(F)(F)F)c1O	817981212	HFFVWXZZIIRSRZ-DCAQKATOSA-N	302.340	3.189	10	20	DGCD	
CCC(=O)C1(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1	822268475	BPDQUGKCZMYHMC-UHFFFAOYSA-N	316.445	3.251	10	20	DGCD	
Cc1cc(O)c(CN2CCC(OCCOC(C)C)CC2)cc1C	825208095	ROCOUZCJWFKXHF-UHFFFAOYSA-N	321.461	3.415	10	20	DGCD	
CCN1CCC[C@@H](N[C@@H](C)c2ccc3ccccc3c2O)C1=O	903391923	JGQUILAROOBZHZ-SUMWQHHRSA-N	312.413	3.207	10	20	DGCD	
CN(C)c1ccc(/C=C/CN2Cc3ccc(C(=O)O)cc3C2)cc1	901647094	XQAFXDKLWWZMKO-ONEGZZNKSA-N	322.408	3.480	10	20	DGCD	
CC[C@@H](C[C@@H](C)CO)NCc1ccc(Br)cc1O	825316753	ZQAPNCROBKURKM-MFKMUULPSA-N	316.239	3.041	10	20	DGCD	
Cc1cc(C(=O)O[C@H](C)CC(C)(C)O)c(C)n1-c1ccccn1	821592173	WSFIYWREXGZCTR-CYBMUJFWSA-N	316.401	3.195	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)CSC)cc1	731327211	JOIAJTFNDCNVJK-AWEZNQCLSA-N	308.491	3.490	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3cc(C)ccc3[nH]2)c1	734015478	NDNDHSFFNZUISH-UHFFFAOYSA-N	310.353	3.121	10	20	DGCD	
CCc1ccccc1NC(=S)NCc1cc(OC)ccc1O	733907181	UTXZHGQXBLAREL-UHFFFAOYSA-N	316.426	3.450	10	20	DGCD	
C[C@@H](N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CC1	749129647	RZAMYQNJXUJBMZ-MLGOLLRUSA-N	308.853	3.398	10	20	DGCD	
CCN(CC)c1ccc([C@@H]2NC3(CCCC3)C(=O)N2C)cc1F	742438985	HALLVYCJPZIPAK-MRXNPFEDSA-N	319.424	3.045	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2ccon2)c1	747433273	VFWWVZMCVRBDDV-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCCCNc1ccccn1	840932393	PZDGAWAXFCXEDN-UHFFFAOYSA-N	312.461	3.438	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1CCSCC1	743719776	RXVVFLLJFZYTLZ-UHFFFAOYSA-N	305.443	3.030	10	20	DGCD	
Nc1ccc(CCNC(=O)Nc2nc(C3CCC3)cs2)cc1	841227616	BVMXCGFIJLMAQG-UHFFFAOYSA-N	316.430	3.357	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(Cl)cc1O	842881978	MWAXBKZGDOJDHS-MFKMUULPSA-N	310.825	3.096	10	20	DGCD	
COc1cccc(CNC(=O)CCCc2ccc(F)cc2)c1O	847590377	XROBJAGFYZXBOH-UHFFFAOYSA-N	317.360	3.179	10	20	DGCD	
Cc1ccc(C(=O)Nc2nn(C(C)C)cc2Cl)c(O)c1O	924768949	ITKWCTSLHOFHTE-UHFFFAOYSA-N	309.753	3.089	10	20	DGCD	
OC1CCN(c2ccc(CNc3nc(Cl)cs3)cc2)CC1	858633979	JFTYAGVOOKNAPZ-UHFFFAOYSA-N	323.849	3.370	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1OCCOC(=O)/C=C/c1ccc(O)c(O)c1	759789130	QAXJPXXTOPVGTO-CEIRLDKZSA-N	320.385	3.250	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC2(C)C)cc1	859510190	IJIJRTHKTAYFAG-UHFFFAOYSA-N	324.424	3.460	10	20	DGCD	
CCO[C@@H](CCN[C@@H](C)c1cc(C(=O)OC)ccc1O)C(C)C	756629308	PFVMLLKYOBTXKG-GUYCJALGSA-N	323.433	3.281	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](CO)Cc2ccccc2)c2c(O)ccc(F)c21	756586270	QDPRQKHYKWTPDS-INWMFGNUSA-N	315.388	3.273	10	20	DGCD	
COC(=O)CC1CCC(NCc2cc(Cl)ccc2O)CC1	862403525	RGOBWTPUMUPNCM-UHFFFAOYSA-N	311.809	3.257	10	20	DGCD	
Cc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)cnc1Cl	760216519	BURUUKXJUKEALG-BJMVGYQFSA-N	310.831	3.407	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1	862760529	UBVAPPAZRIZMTG-YLJYHZDGSA-N	307.393	3.221	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@]2(C)CCCO)cc1F	862368183	DOQFJKJZVUOIIE-QGZVFWFLSA-N	312.404	3.158	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](CC)N(CC)CC	764228228	WDWRFZYSXSOPBE-INIZCTEOSA-N	306.450	3.251	10	20	DGCD	
COc1ccc(NCc2cc3c(cc2O)OCO3)c2ncccc12	769943271	KCWXJNDLWQGGFR-UHFFFAOYSA-N	324.336	3.290	10	20	DGCD	
COc1ccc(NC(=O)N(C)Cc2ccccc2O)c(Cl)n1	761686650	ZQQOOJYGUVWCLW-UHFFFAOYSA-N	321.764	3.113	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H](O)Cc1ccccc1	1117364205	UKZKWOHVOLMPKR-OIISXLGYSA-N	311.425	3.442	10	20	DGCD	
Cc1ccc(CNC[C@@]2(C)OCCc3sccc32)c(O)c1	877539460	NMMKTCWDQPEJAS-QGZVFWFLSA-N	303.427	3.340	10	20	DGCD	
C[C@H]1CC[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1	877491523	LKOKYELJIHHUCE-DOTOQJQBSA-N	302.462	3.174	10	20	DGCD	
Cc1cccc(O)c1CN(C)Cc1nc(-c2cccs2)no1	877513954	DYKSSTOFKNQHMJ-UHFFFAOYSA-N	315.398	3.444	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc1C	873131262	QSIPGTGXSLEOBS-IAGOWNOFSA-N	316.445	3.027	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C2CCCC2)C2CC2)c1O	774836786	VUIQNRPPKPRAED-UHFFFAOYSA-N	306.362	3.216	10	20	DGCD	
CC[C@H]1C[C@@H](C)CN1Cc1ccc(N2CCN(C)CC2)cc1	775708870	PIJJXCCBOLAPTF-AEFFLSMTSA-N	301.478	3.059	10	20	DGCD	
CCc1ncsc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773011208	DONLUDOEOGMRMO-NSHDSACASA-N	303.431	3.263	10	20	DGCD	
CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccccc2O)C1	770510860	SMZAGWLNYOBQQI-AWEZNQCLSA-N	320.433	3.129	10	20	DGCD	
COC1CCN(c2ccc(CN3CC[C@@H](CF)C3)cc2)CC1	880299125	CZKOHJRADJDECD-INIZCTEOSA-N	306.425	3.093	10	20	DGCD	
C[C@H](NC[C@]1(CO)C[C@H]1c1ccccc1)c1c(O)cccc1F	886612491	MKSYYHNFDWHMHM-RFUYNDQBSA-N	315.388	3.348	10	20	DGCD	
COc1ccc2c(c1)CCN(Cc1cc(F)ccc1O)CC2	784679289	IGFZXQZNRAYGKS-UHFFFAOYSA-N	301.361	3.141	10	20	DGCD	
Cc1oc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1C(=O)O	1600838206	ONKXGMWBAMSYJF-IZZDOVSWSA-N	323.395	3.040	10	20	DGCD	
COc1ccc(N(Cc2nc(C(=O)O)cs2)CC2CC2)cc1	1599587161	WKGQCSKGFLQYHG-UHFFFAOYSA-N	318.398	3.267	10	20	DGCD	
CC[C@@](C)(CNCc1c(O)cccc1Br)OC	706872235	OKURGNQMOMSVMO-ZDUSSCGKSA-N	302.212	3.059	10	20	DGCD	
Cc1ccc(CNC[C@H]2CCN(Cc3ccccc3)C2)c(O)c1	877486948	ONGMDDVJJDMDHH-GOSISDBHSA-N	310.441	3.312	10	20	DGCD	
CN1CCCc2cc(CNC(=O)Cc3cccc(F)c3)ccc21	58768825	WFCNSQDCSVAIME-UHFFFAOYSA-N	312.388	3.067	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC2C[C@@H](C)C[C@H](C)C2)c1	172491288	GIPBPNXWJCMCEB-RYUDHWBXSA-N	306.406	3.025	10	20	DGCD	
COc1ccccc1NC(=O)NCc1ccc(N(C)C)cc1C	115640457	BWJGZARBKQZAEC-UHFFFAOYSA-N	313.401	3.391	10	20	DGCD	
CCC(CC)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	68549065	SMSKQIAOFKYQQL-AWEZNQCLSA-N	319.449	3.072	10	20	DGCD	
CC(C)OC(=O)C[C@H]1CCCN(Cc2cc(F)ccc2O)C1	185582774	UPKYNXXVGJZPMS-CYBMUJFWSA-N	309.381	3.085	10	20	DGCD	
C[C@H](NCC1(C(=O)N(C)C)CCCC1)c1cc(Cl)ccc1O	185443952	BMDXFEXVBXMTIT-LBPRGKRZSA-N	324.852	3.345	10	20	DGCD	
O=C(c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	78917814	NGLOHARRFISSCH-KRWDZBQOSA-N	311.381	3.214	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(N3CCCC3=O)cc2)cc1	78970583	JRXDDEYGACTQEP-UHFFFAOYSA-N	309.413	3.492	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)CCC(C)(C)C)c1	77600116	ICJFFYQTDFXADO-GFCCVEGCSA-N	308.422	3.415	10	20	DGCD	
Cc1cc(O)c(CNC(C)(C)C(=O)NCC2CCCC2)cc1C	136034141	LGSVOLRAAIZLSQ-UHFFFAOYSA-N	318.461	3.184	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cccc([N+](=O)[O-])c2)c1	194683725	ZXEFJTHSFIFQBQ-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
CN(Cc1ccccc1N1CCCC1)C(=O)Cc1ccc(N)cc1	237161054	MMISIYDHQNBIAT-UHFFFAOYSA-N	323.440	3.070	10	20	DGCD	
C[C@@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc(N(C)C)cc1	90541859	XVWIDHYURJXJHZ-UWWQBHOKSA-N	320.502	3.458	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1	92066889	IHJVOQNQAQSWPK-CRAIPNDOSA-N	300.446	3.149	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](CN3CCCCC3)C2)cc1	93683332	ZUBSSYLRSLPKBH-GOSISDBHSA-N	301.478	3.060	10	20	DGCD	
Cc1noc(C)c1NC(=O)NCc1c(O)ccc2c1CCCC2	266361728	AREGKAOIGGPTSD-UHFFFAOYSA-N	315.373	3.198	10	20	DGCD	
CC(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1	268750059	HHRAKHFTIBJIFD-UHFFFAOYSA-N	322.408	3.419	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCSC1	267296236	JREVTYKICQHLIX-AWEZNQCLSA-N	308.447	3.209	10	20	DGCD	
C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1O)c1ncn(C)n1	275694686	JTIBDUZDLZTGGK-HTQZYQBOSA-N	315.204	3.239	10	20	DGCD	
CCO[C@@H](CCN(C)C)CN[C@H](C)c1ccc(C)c(C)c1O	273566833	JTAWMMFLZAPNSS-CVEARBPZSA-N	308.466	3.016	10	20	DGCD	
C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1O	370372912	GDHOZIJDSWMHQU-SJCJKPOMSA-N	300.377	3.369	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccon1	806383236	GURYYLYRIGMKNH-UHFFFAOYSA-N	302.117	3.009	10	20	DGCD	
CCCCN(CC(=O)N1CCCCCC1)Cc1ccccc1O	801597511	IZJMCWSEXXWRQJ-UHFFFAOYSA-N	318.461	3.397	10	20	DGCD	
CCOc1ccc(CN[C@H]2CCCC23CCOCC3)c(O)c1	800294072	VRSSYYJXVBRNNS-KRWDZBQOSA-N	305.418	3.230	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1F	800331568	YNSSFUHJAUJNCN-GDZNZVCISA-N	322.424	3.102	10	20	DGCD	
CN(C)c1ccc(CN(Cc2cnn(C)c2Cl)C2CC2)cc1	816484424	BQZHPQZPBTWFKR-UHFFFAOYSA-N	318.852	3.304	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@@H](C)COC	812455041	VPQPZMLSKQRALA-GJZGRUSLSA-N	306.450	3.020	10	20	DGCD	
CCc1ccccc1NC(=S)NCc1ncccc1N(C)C	811709924	SKLHSHFOOZPRNP-UHFFFAOYSA-N	314.458	3.197	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)OC3CCCC3)C2)cc1	819888505	WVANIANQHXOTKT-AWEZNQCLSA-N	318.417	3.190	10	20	DGCD	
Cc1cc(CN2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1N(C)C	815118522	WLGSIQPCIATWAS-WMZOPIPTSA-N	301.478	3.120	10	20	DGCD	
O=C(C[C@H]1CCCN1C(=O)c1cc(O)cs1)c1ccccc1	829878917	IOYBPAJGZWXSAY-CYBMUJFWSA-N	315.394	3.331	10	20	DGCD	
C[C@H](NC(=O)Nc1cccnc1F)c1ccc(N(C)C)cc1	832064574	RLEUWBSQPDUJHY-NSHDSACASA-N	302.353	3.169	10	20	DGCD	
Cc1ccc(O)c([C@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c1	834895255	HDMPSZSNQRJDFO-KPZWWZAWSA-N	312.369	3.099	10	20	DGCD	
Cc1cccc(NC(=S)NCc2cc(N(C)C)ccn2)c1C	905619550	XGCVWPANPVXLPJ-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
Cc1ccncc1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	836406428	RPLPJPJTAHVXQF-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3nonc3C)c2C)c1	735818355	JUDNZJQZZOVKKX-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccccc1NC(C)=O	830394615	JDXPZBQSNIEHTL-UHFFFAOYSA-N	303.314	3.078	10	20	DGCD	
Nc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1	841301527	SICWRTKUUHSOIL-MRXNPFEDSA-N	315.373	3.075	10	20	DGCD	
C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1O	841761805	GWEFPGBJMPDOST-APBUJDDRSA-N	303.855	3.243	10	20	DGCD	
C[C@@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O	846205960	LUSXQWLAYNPKGT-ZIAGYGMSSA-N	324.424	3.207	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC(OCCOC(C)C)CC2)c1	840146461	PTTCOGNCSAWCAF-UHFFFAOYSA-N	321.461	3.415	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC(NCC2CC2)CC1	843054339	LCMJQCRNLHNXRK-UHFFFAOYSA-N	301.478	3.025	10	20	DGCD	
C[C@@H](CNC(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1	841739542	HUIDFLGMTHBKPD-ZDUSSCGKSA-N	315.392	3.053	10	20	DGCD	
CN(CC[C@H]1CCCNC1)Cc1ccc(N2CCCCC2)cc1	844220476	DWDRANFOJIHLDP-GOSISDBHSA-N	315.505	3.498	10	20	DGCD	
Cc1cc(CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c(O)c(C(C)(C)C)c1	840127453	DFLAOTGUZSTVIA-JOCBIADPSA-N	313.441	3.383	10	20	DGCD	
Fc1cc(CNC2(C3CCC3)CC2)ccc1N1CCOCC1	846054739	FKCMXKBMUGNVFZ-UHFFFAOYSA-N	304.409	3.085	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC3(CCC3)c3ccccc32)cc1	841957404	AWCSGKXCLHWXNM-UHFFFAOYSA-N	321.424	3.463	10	20	DGCD	
CNCCCN(C)Cc1ccc(OCc2ccccc2)cc1O	841104369	PQFPMQZBBUMBNY-UHFFFAOYSA-N	314.429	3.013	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC2(CCOCC2)C[C@H]1C	843430968	KHAQNMGYMXGKKT-MRXNPFEDSA-N	302.462	3.452	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	756639784	FAIHJBLLEOFNCT-GZBFAFLISA-N	324.440	3.026	10	20	DGCD	
CC(C)(F)CCNC(=O)NCCCSc1nccs1	853857489	DQTOWUDXQSRCGP-UHFFFAOYSA-N	305.444	3.063	10	20	DGCD	
CO[C@](C)(C1CC1)[C@H](C)NCc1cc(F)c(N(C)C)cc1F	858177295	OBSQOWVHXHHDSW-GTNSWQLSSA-N	312.404	3.324	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2ccc3c(c2)OCO3)cc1F	858086251	DYMJAIGNCCVRAZ-UHFFFAOYSA-N	320.339	3.049	10	20	DGCD	
CC[C@H](C)Oc1cc(NCc2cccc(OC)c2O)nc(C)n1	858387318	DZGAIXHMCFXGTM-NSHDSACASA-N	317.389	3.289	10	20	DGCD	
COc1cc(Cl)cc(CN(C)Cc2cccc(O)c2)c1O	761185786	XFBFYMWBFSSJRS-UHFFFAOYSA-N	307.777	3.392	10	20	DGCD	
CC[C@H](C)[C@@H]1CCCCN1Cc1cc2c(cc1O)OC[C@H]2O	768444552	CNFFTPZZKHGOHG-YLQAJVPDSA-N	305.418	3.219	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2sccc2c1	762269154	YWXQTQKZYBPIJS-UHFFFAOYSA-N	313.378	3.285	10	20	DGCD	
Cc1cccc(O)c1CN[C@H](C)c1ccc([S@](C)=O)cc1	877122415	SUZVBWDGHSADEF-ASSNKEHSSA-N	303.427	3.289	10	20	DGCD	
CCC[C@H](CC)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	874094305	ZRDRYHSFHMKVPN-HNNXBMFYSA-N	322.424	3.105	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(Cl)cc2F)c(O)c1O	779117418	UWTIVQBRFVURTH-UHFFFAOYSA-N	309.724	3.129	10	20	DGCD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	772997352	HFUURJSFCOSREN-VXGBXAGGSA-N	314.433	3.073	10	20	DGCD	
CC(C)[C@H](NCc1ccc(N(C)C)c(F)c1)c1cnn(C)c1	886518619	AKLLQXYDCIDSNU-KRWDZBQOSA-N	304.413	3.112	10	20	DGCD	
CC[C@H](NCCN1CCC1)c1ccc(Cl)c(Cl)c1O	775525080	XNQXKTNKEPCKQN-LBPRGKRZSA-N	303.233	3.445	10	20	DGCD	
C[C@H](NC[C@@H](CO)Cc1ccccc1)c1c(O)cccc1F	886511327	QKPLTMOLYRFULZ-ZFWWWQNUSA-N	303.377	3.033	10	20	DGCD	
CN(CCN1CCCC1)Cc1ccc(N2CCCCC2)cc1	781913678	VPXVJRXMJASREV-UHFFFAOYSA-N	301.478	3.205	10	20	DGCD	
COc1cc(C)cc(CNCCCSc2nccs2)c1O	894303270	HNLPEIDPQQVVQF-UHFFFAOYSA-N	324.471	3.438	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCO[C@H]1CCCCO1	894800300	SVHTXPQSIAIWQM-ZDUSSCGKSA-N	320.216	3.332	10	20	DGCD	
COc1ccc(CN[C@@H]2CCC[C@H](C3CC3)C2)c(O)c1OC	895029995	DDGJKAYGQQHHFM-DZGCQCFKSA-N	305.418	3.468	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@H](C)NC(=O)C(C)(C)F)cc1C	1133477754	RHJGTOBPXINYIE-KBPBESRZSA-N	324.440	3.125	10	20	DGCD	
COc1cc(N2CC(C3CCCC3)C2)c([N+](=O)[O-])cc1OC	795261943	WYKUQSNNIPFZFM-UHFFFAOYSA-N	306.362	3.238	10	20	DGCD	
CN1CCC(C)(CNCc2c(O)ccc(Cl)c2F)CC1	790988799	AXBZYHXXLDYDHT-UHFFFAOYSA-N	300.805	3.006	10	20	DGCD	
CCC1(C(=O)NCCC2=CCN(c3cccc(F)n3)CC2)CC1	1089858737	ATIUTYWGZGZBFK-UHFFFAOYSA-N	317.408	3.054	10	20	DGCD	
C[C@H]1CCC[C@H]1CNCc1ccc(N2CCN(C)CC2)c(F)c1	1321185254	PZWRHAFKVUSIHC-RDJZCZTQSA-N	319.468	3.103	10	20	DGCD	
CCCCCCNC(=O)[C@@H]1CCCN(Cc2ccc(N)cc2)C1	1336116220	DAOWOWCOGLYCMX-QGZVFWFLSA-N	317.477	3.177	10	20	DGCD	
O=C(NCCCSc1nccs1)c1ncc(Cl)s1	1256294203	ZUQQXLOQDFXIBV-UHFFFAOYSA-N	319.864	3.165	10	20	DGCD	
Cc1cc(O)c(CNCc2cccc(C(=O)O)c2)cc1Cl	1600285748	GRCLKIIVSXSGSM-UHFFFAOYSA-N	305.761	3.342	10	20	DGCD	
Cc1cccc(NC(=O)[C@H](C)Sc2ncc(C(=O)O)s2)c1	1600540735	NOEPFTJCTFXHID-VIFPVBQESA-N	322.411	3.269	10	20	DGCD	
C[C@H](N[C@H]1CCOC2(CCCC2)C1)c1cc(C(=O)O)ccc1O	1593234250	WSECLDSJYSEOBM-JSGCOSHPSA-N	319.401	3.233	10	20	DGCD	
Cc1ccc(NC(=S)NNc2nc(C)cc(C)n2)c(C)c1	16190999	GPMIALOKAOOKPV-UHFFFAOYSA-N	301.419	3.024	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCN(C2CC2)C1	44684729	FOTXROZRYPWLMY-NSHDSACASA-N	301.217	3.025	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CSCc2ccccc2)cc1	7353085	FLXRTMBJSUTDFN-UHFFFAOYSA-N	314.454	3.302	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CCc3ccccc32)cc1	115205587	XHLNBQNGCJUVGO-QGZVFWFLSA-N	308.425	3.489	10	20	DGCD	
C[C@H](NC[C@H](C)C[C@@H](C)O)c1cc(Br)ccc1O	185520713	CEUCTEXSVRSCHD-MXWKQRLJSA-N	316.239	3.212	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1F	151875026	MEBVUWSTRKRYGF-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
CCOc1cccc(CNC[C@@H](c2ccccc2)N(C)C)c1O	74334541	CRLPXBLWUJNVAY-KRWDZBQOSA-N	314.429	3.183	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)C(C)C)c1	186886903	CEQRGHHOMHJCSA-LBPRGKRZSA-N	308.422	3.443	10	20	DGCD	
C[C@@H](NCC1(C)OCCO1)c1ccc(Cl)c(Cl)c1O	186212101	PQGZXZCMVNOJQW-MRVPVSSYSA-N	306.189	3.113	10	20	DGCD	
CO[C@H](C)CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	182998543	LVVMZBUSMQBANU-MRXNPFEDSA-N	318.461	3.450	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cccc2nccn12	183443944	FCDFPZXYKLFVFZ-UHFFFAOYSA-N	308.429	3.422	10	20	DGCD	
Cc1ccnc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1	184071525	ZZYVPNUGSCTWHY-UHFFFAOYSA-N	310.401	3.312	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cnc(Cl)cc2C)c1O	132291682	OSQAEGKLVBFIHQ-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1nc2ccccc2[nH]1	43832394	CZLCRWKDCHJSEU-GFCCVEGCSA-N	324.384	3.171	10	20	DGCD	
O=C1/C(=C\c2csc([N+](=O)[O-])c2)SC(=S)N1C1CC1	48642776	XRQIOHXDBPIZLX-FPYGCLRLSA-N	312.397	3.020	10	20	DGCD	
Cc1cnc(CNCc2cc(Br)ccc2O)s1	230686939	SLVINHCKRGRSJU-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)C1(CC)CC	236979116	NMHLFMAKSYVNIQ-IRXDYDNUSA-N	318.461	3.254	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ncc(Cl)n2C)cc1F	265738704	DGMNMPGNEPGUQL-UHFFFAOYSA-N	324.831	3.349	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C)n(C)c1C	269121290	FBBSCFXLTYSPSX-UHFFFAOYSA-N	300.402	3.400	10	20	DGCD	
Cc1cccc([C@H](NCc2ccc3c(c2)CCO3)C(=O)O)c1C	277355090	PNEYQRWIPVSDTF-SFHVURJKSA-N	311.381	3.154	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCC(=O)N(C)C2CCCCC2)c1	273560538	IBRGKFVXBNLOBX-AWEZNQCLSA-N	304.434	3.142	10	20	DGCD	
CC(C)c1[nH]ccc1C(=O)N1CCOc2cc(N(C)C)ccc21	286136680	OTSIVBVYYUIWHH-UHFFFAOYSA-N	313.401	3.243	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc2ccccc2c1O)C(=O)N1CCCC1	281782749	XGZKXFAEFNFUHI-KGLIPLIRSA-N	312.413	3.207	10	20	DGCD	
CC[C@@H](N[C@@H](CCO)COC)c1cc(Cl)cc(Cl)c1O	287281815	BMOZJFBDIMEDOU-GXFFZTMASA-N	322.232	3.137	10	20	DGCD	
CN1CCC([C@H]2CCN(Cc3ccc(N(C)C)c(F)c3)C2)CC1	809755582	LUDAATLAWSKXET-KRWDZBQOSA-N	319.468	3.055	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CCc3n[nH]cc3C2)c1O	808706794	VANTYJJLFCCCMI-ZWNOBZJWSA-N	305.809	3.285	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)N[C@@H](C)CC	801598170	WOONZYLKLBJXSM-GJZGRUSLSA-N	306.450	3.298	10	20	DGCD	
CC[C@@H](N[C@H](CN)C1CC1)c1ccc(Cl)c(Cl)c1O	817961229	VOKZYOFCBJWJSA-VXGBXAGGSA-N	303.233	3.477	10	20	DGCD	
Cc1cc(Cl)cnc1NCc1ccc(N2CCOCC2)cc1	812345648	HUXUBAJSLZCTEW-UHFFFAOYSA-N	317.820	3.492	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1	816666480	OHZWKLQTLVFERK-CVEARBPZSA-N	311.784	3.328	10	20	DGCD	
Cc1cccc(CN2Cc3cnn(-c4ccccc4)c3C2)c1O	816669090	GOIOCYLUHTWPHH-UHFFFAOYSA-N	305.381	3.402	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](C)C3CC3)C2)cc1	819582094	HQLDJOURHGBCPZ-CABCVRRESA-N	316.445	3.074	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3ncc(C)s3)C2)cc1	819935993	PRWHKYMDWVUMHW-CYBMUJFWSA-N	303.431	3.399	10	20	DGCD	
C[C@H](NCC1CCNCC1)c1ccc(N2CCCCC2)cc1	817941296	RPGUEVZOFGBRNC-INIZCTEOSA-N	301.478	3.327	10	20	DGCD	
C[C@H](N[C@H]1CC12CCNCC2)c1cccc(C(F)(F)F)c1O	817976520	NAQIJCQFDSMEIO-GWCFXTLKSA-N	314.351	3.204	10	20	DGCD	
CCOC(=O)CN(Cc1ccsc1)Cc1ccccc1O	822511529	HOAJNYJZUBRPDQ-UHFFFAOYSA-N	305.399	3.019	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1CCOC1	739688308	NRXONJLFTXEGSM-KRWDZBQOSA-N	316.445	3.062	10	20	DGCD	
CC[C@H](COC)NC(=O)c1sccc1-n1c(C)ccc1C	737980442	QPQYCJUQSQWCFB-CYBMUJFWSA-N	306.431	3.310	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)c(O)c1O	834310281	KCJOIUXZZWRBQB-BXUZGUMPSA-N	313.353	3.048	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@H](CC(=O)O)C2)cc1F	905816572	KSOVHNPACAKVCO-DZGCQCFKSA-N	322.424	3.405	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@](C)(C(=O)O)C2)cc1	901700150	QRQISXZYQKPZNC-GOSISDBHSA-N	304.434	3.220	10	20	DGCD	
C[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCCc2ccccc21	831509784	HNBRXJVMMJAHOR-FQEVSTJZSA-N	308.425	3.222	10	20	DGCD	
O=C(NCc1ccc(Br)cc1)c1cc(O)cs1	732279727	NYSJRBLPRRAGPH-UHFFFAOYSA-N	312.188	3.146	10	20	DGCD	
CCCCC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O	901724583	BNCZYNCPPOEVAY-ZPUOCTKUSA-N	304.434	3.389	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(C(C)C)n1	733142027	NJAIRNYZRXVVAM-UHFFFAOYSA-N	314.433	3.192	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccccc2O)cc1-n1cccc1	748350413	QVZKBEWBOKVZQN-UHFFFAOYSA-N	306.365	3.421	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)c1c(F)cccc1F	840934168	MZTSFCUIXLPWFS-QGZVFWFLSA-N	320.383	3.162	10	20	DGCD	
CCN(CCSC)Cc1cc(Cl)cc([N+](=O)[O-])c1O	843437680	VDTLERHIZNNYJV-UHFFFAOYSA-N	304.799	3.139	10	20	DGCD	
Cc1ccc(C(=O)OCCOC2CCCCCC2)c(O)c1O	740957955	OMUNGFKHGPGVCL-UHFFFAOYSA-N	308.374	3.302	10	20	DGCD	
CCc1cccc(CN2CC[C@H](CN3CCCCC3)C2)c1O	848887998	KBVDTRFPPDOHLW-MRXNPFEDSA-N	302.462	3.262	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCNC3(CCC3)C2)cc1	841090039	UAEUWFHGTYEMDK-KRWDZBQOSA-N	301.478	3.297	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cc(C)nn2C)cc1	841827710	CHVUJEVTJIEOLT-UHFFFAOYSA-N	300.450	3.207	10	20	DGCD	
OC1CCN(c2ccc(CNc3ccnc(Cl)c3)cc2)CC1	853955152	HSIIJVKWRCBVEN-UHFFFAOYSA-N	317.820	3.308	10	20	DGCD	
Cc1cc(CNC(=O)NCc2ccccc2O)ccc1Cl	754322500	FXPSISQSMGGPOE-UHFFFAOYSA-N	304.777	3.353	10	20	DGCD	
CC[C@H](Cc1ccc(F)cc1)NCc1cc2c(cc1O)OCO2	850343183	QULHVOOIUFNXAX-OAHLLOKOSA-N	317.360	3.371	10	20	DGCD	
COCCN(Cc1ccsc1)c1ccc(OC)c(OC)c1	851847001	MXFLLTGAFSLANK-UHFFFAOYSA-N	307.415	3.418	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C\c2ccc3[nH]ccc3c2)c1	765863693	JKUPUNPGJLGVOY-CLTKARDFSA-N	322.364	3.212	10	20	DGCD	
Cc1cccc2c1CN(Cc1ccc(N3CCOCC3)cc1)CC2	763501064	FUDPQWLPOOGLID-UHFFFAOYSA-N	322.452	3.390	10	20	DGCD	
CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(C)c(C)cc1O	769499191	YJOVVNAERUKSDY-ROUUACIJSA-N	318.461	3.230	10	20	DGCD	
CC/C(C)=C(\C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	779874635	RJLDWTLTRCEYRW-IYOXOMEYSA-N	316.445	3.447	10	20	DGCD	
CC(C)Oc1cncc(NCc2ccc(N3CCCC3)cc2)n1	771970142	WICDIJWHYNVTLD-UHFFFAOYSA-N	312.417	3.476	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	883076298	ZJFLPMLJBJPHRV-APHBMKBZSA-N	309.356	3.108	10	20	DGCD	
CC(C)Oc1ccc(CNCc2cc(F)cc(F)c2O)cn1	882895843	VUUZXNMGBYXOND-UHFFFAOYSA-N	308.328	3.142	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccnc(C3CC3)c2)cc1F	783044749	UWGWECQCUOMNTL-UHFFFAOYSA-N	313.376	3.094	10	20	DGCD	
Cc1cc(Br)cc(CN2CC(C(F)(F)F)C2)c1O	894892187	YVWOWRTZPOEIAQ-UHFFFAOYSA-N	324.140	3.457	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@@H]1Cc2ccc(F)cc21	793496950	QPHJMUNFPIANPK-CYBMUJFWSA-N	322.430	3.221	10	20	DGCD	
O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc(O)c1O	798008192	BZJARNIYBTVJNQ-QWHCGFSZSA-N	303.745	3.037	10	20	DGCD	
C[C@H](Nc1cnn(Cc2cccnc2)c1)c1cc(F)ccc1O	1323830745	SSHNTSPGBNUCKO-LBPRGKRZSA-N	312.348	3.344	10	20	DGCD	
C[C@@]1(NCc2cc(Cl)cc(Br)c2O)CCOC1	708057510	VQRNKCOGTQSXOX-GFCCVEGCSA-N	320.614	3.077	10	20	DGCD	
CC(C)c1nnsc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1353646304	ZTEPNDSFUPVOMT-NSHDSACASA-N	318.446	3.219	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1C[C@H]2C=C[C@H]1C2	1525023702	BJUNXMACPVBYOF-RYUDHWBXSA-N	316.430	3.133	10	20	DGCD	
COc1cc(CN(C2CC2)[C@H](C)C(=O)O)c(O)c(C(C)(C)C)c1	1604703084	VGVGUHPHNGDMTL-LLVKDONJSA-N	321.417	3.136	10	20	DGCD	
CC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1cnn[nH]1	1576277606	RUSHJPHMRXOOCN-MRXNPFEDSA-N	323.400	3.093	10	20	DGCD	
C[C@@H](Sc1ncc(C(=O)O)s1)C(=O)c1ccc(F)cc1	1593678527	QKFPJHVEQRPCLO-SSDOTTSWSA-N	311.359	3.344	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)[C@@H]2CC=CCC2)cc1	1776860497	MBRHGXQHFKKGOU-AEFFLSMTSA-N	316.445	3.432	10	20	DGCD	
Oc1cc2c(cc1CN(Cc1ccccc1F)C1CC1)OCO2	14303425	RXBLZAVOUFTUIE-UHFFFAOYSA-N	315.344	3.425	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)n1C1CC1	61077616	MKTGLVILZPNDCA-UHFFFAOYSA-N	311.429	3.436	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1	68512510	FRMIAFIIVMWMIG-INIZCTEOSA-N	324.424	3.323	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)o1	72672145	XPKXLFWKFUPEGH-HNNXBMFYSA-N	300.402	3.275	10	20	DGCD	
Cc1cnc(NCc2ccc(N(C)C)cc2C)c([N+](=O)[O-])c1	78664268	FHJHVFMKWAFKPX-UHFFFAOYSA-N	300.362	3.285	10	20	DGCD	
CCOc1cccc(CN2CCc3ccc(F)cc3C2)c1O	93383757	VAMZDCMZTLUXRK-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](COCCOC)C2)cc1	93755618	NUJGZAXMRDVCRT-SFHVURJKSA-N	320.477	3.018	10	20	DGCD	
CCN(C)C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1	93770356	CBAQLFWXWCPESH-LLVKDONJSA-N	317.260	3.473	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H]2CSCCS2)cc1	125189565	OGUCUYMLASRHQJ-MRXNPFEDSA-N	310.532	3.471	10	20	DGCD	
O=C(Nc1ccc(Br)cc1)c1cccc(O)c1O	126172044	QYNSLDKJMDZARQ-UHFFFAOYSA-N	308.131	3.113	10	20	DGCD	
CSC(C)(C)CNCc1cccc(Br)c1O	128203599	ZSTSRRMJLBXGFW-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc(Cl)c(C)c2)c1	150787859	YAQYUVRXBSLYKQ-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1cccc(O)c1	153625752	MJBUYVALDTVWPK-JXMROGBWSA-N	310.397	3.096	10	20	DGCD	
C[C@H](N(C)C(=O)NCCCSc1nccs1)C1(C)CC1	154603935	VABMKCSPWKJLFB-NSHDSACASA-N	313.492	3.455	10	20	DGCD	
C[C@H](c1cccc(O)c1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	181198095	WLSBKIGIRAUXJH-YPUOHESYSA-N	313.353	3.036	10	20	DGCD	
Cc1ccc([C@H](C)NCCCCN2C[C@H](C)O[C@H](C)C2)c(O)c1	185206743	SFFWNLMLNYQFHO-BBWFWOEESA-N	320.477	3.241	10	20	DGCD	
Cc1nc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n(C)n1	186915931	LOMNGWHODSDSHT-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1c1ccccc1	237612227	DAAXGGGORCDQOE-KXBFYZLASA-N	308.425	3.464	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC2=NCCS2)c1C	248129899	WTQDUZVZVLAWRJ-UHFFFAOYSA-N	313.426	3.235	10	20	DGCD	
CCOCCC1(C(=O)N(C)Cc2ccccc2O)CCCC1	269091137	HFLWSYUVTJOWCS-UHFFFAOYSA-N	305.418	3.338	10	20	DGCD	
C[C@H](N[C@H](C)[C@H]1CCOC1)c1cc(Br)ccc1O	273362088	ARPSNHRIPNTBGI-VWYCJHECSA-N	314.223	3.230	10	20	DGCD	
Cc1ccc([C@H](C)NCCCOC[C@@H]2CCCO2)c(O)c1C	273411165	PRAAEHSBJFXYMW-HOTGVXAUSA-N	307.434	3.245	10	20	DGCD	
COc1ccc([C@@H](CN(C)C)N[C@H](C)c2ccccc2O)cc1	284241361	FCOVWOLSLLVQHB-RDTXWAMCSA-N	314.429	3.354	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@H]2CCN(c3ccccn3)C2)c(O)c1	284972330	FVHYROQYVRECDL-HOTGVXAUSA-N	311.429	3.334	10	20	DGCD	
C[C@@H]1COCC[C@H]1CNCc1cc(Cl)cc(Cl)c1O	285660390	ZAZCSHQZJIAJPC-ZJUUUORDSA-N	304.217	3.461	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc2cncn2c1	289132002	VIBGQRASLHEMAS-UHFFFAOYSA-N	323.396	3.482	10	20	DGCD	
Cc1cc(C(=O)N2CCC(CF)CC2)c(C)n1-c1ccccn1	296045714	XKLPIAUFBVKRSI-UHFFFAOYSA-N	315.392	3.311	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(C(F)(F)F)nn1	301955490	FAJDTQWFVLBAAD-UHFFFAOYSA-N	310.323	3.482	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC(CN(C)C)CC2)c1O	314913989	IJEBHAXNOYLQLS-UHFFFAOYSA-N	324.852	3.022	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1C(C)(C)C1(C)C	347724349	NTLPWPPHDUOLSW-UHFFFAOYSA-N	302.418	3.160	10	20	DGCD	
CCN(CC)c1ccc(CN2CC([C@H]3CCOC3)C2)cc1F	366251477	OZSVKRSIWTWOFY-HNNXBMFYSA-N	306.425	3.140	10	20	DGCD	
O=C(Cc1ccccc1C(F)(F)F)NCc1ccccc1O	729530068	VMOAYKFISNMAMS-UHFFFAOYSA-N	309.287	3.270	10	20	DGCD	
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1	732276620	NBKGVWFBVPJIGN-SNVBAGLBSA-N	318.398	3.234	10	20	DGCD	
CN1CCc2cc(/C=C3/N=C(c4ccc(F)cc4)OC3=O)ccc21	751522654	HMFFQNUYKMYUOT-LFIBNONCSA-N	322.339	3.163	10	20	DGCD	
C[C@@H]1COCCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1	753995450	VOADUPXFMCRELW-ZDUSSCGKSA-N	315.413	3.486	10	20	DGCD	
Cc1nn(C)c(C)c1CN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	756513611	OQNGAEBPJKOKAZ-LKFCYVNXSA-N	303.381	3.220	10	20	DGCD	
Cc1ccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)cc1C	756655483	WSGSNHQKEAFTNF-UHFFFAOYSA-N	312.369	3.107	10	20	DGCD	
COC(=O)C(C)(C)N(C)Cc1ccc(N2CCCCC2)cc1	769306979	XWMLBSRFYKPWIZ-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CC1CCN(C(=O)[C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)CC1	774483374	KEFFLRHSIQTKHT-CVEARBPZSA-N	317.477	3.050	10	20	DGCD	
C[C@H](CO)CCCN[C@H](C)c1cccc(C(F)(F)F)c1O	788685106	GQCUBBBQKHNXEU-WDEREUQCSA-N	305.340	3.470	10	20	DGCD	
C[C@H](O)C[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F	793075317	ZEBYKFZHAHMSLI-QWRGUYRKSA-N	304.356	3.020	10	20	DGCD	
COCCCNCc1ccc2c(c1)CCN2Cc1ccccc1	796259279	UAXIAVQZZQVADH-UHFFFAOYSA-N	310.441	3.375	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCn1cc(C)cn1	801549665	VOKIIVLVFWMLLT-UHFFFAOYSA-N	315.417	3.116	10	20	DGCD	
CCc1nnc(CN[C@H](CC)c2ccc(N(C)C)cc2)s1	810259125	BSNSSXXBUKQYTL-CQSZACIVSA-N	304.463	3.407	10	20	DGCD	
CCn1c(CC(C)(C)C)nnc1N(C)Cc1ccccc1O	812045496	ZVTNVCSGGIBYRO-UHFFFAOYSA-N	302.422	3.229	10	20	DGCD	
COc1cncnc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1	813378505	QKKYYZNLHYPRAO-UHFFFAOYSA-N	322.368	3.145	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN(C1CCC1)C1CCC1	814177578	HJWYCTURMBGTCE-UHFFFAOYSA-N	300.446	3.430	10	20	DGCD	
Cc1cnn([C@H]2CCN(Cc3ccc4ccccc4c3O)C2)c1	816616155	POBUUBFAAPWSIJ-KRWDZBQOSA-N	307.397	3.497	10	20	DGCD	
CC[C@@H](C)[C@](C)(O)CNCc1ccc(Br)cc1O	825265929	GCBFIUPIPZCORJ-QMTHXVAHSA-N	316.239	3.041	10	20	DGCD	
COC(=O)c1cnc(SC[C@@H](O)[C@H](C)c2ccccc2)s1	834382646	OJLDZTUCCGAZNY-ZYHUDNBSSA-N	323.439	3.186	10	20	DGCD	
CCn1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)n1	840840681	NMSMBGWRNUBVKW-SNVBAGLBSA-N	313.323	3.478	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[C@H]3C2)cc1	851987472	OALCUYGJOAMQPT-HOTGVXAUSA-N	301.434	3.084	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccc3c(c2)OCO3)cc1F	858102011	NRSOBIRWDBDZIP-UHFFFAOYSA-N	306.312	3.372	10	20	DGCD	
CN(C)c1ccc(CN2CCc3c(O)cccc3C2)cc1F	862529289	JRHBHWBWPMBSJD-UHFFFAOYSA-N	300.377	3.156	10	20	DGCD	
O=C(O)[C@@H]1CCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	864525968	ALJSBILYUBXKIX-SJORKVTESA-N	302.418	3.020	10	20	DGCD	
Cc1nonc1CN[C@@H](C)c1cc(Cl)c(Cl)cc1O	872135000	BQZRFZKVQWMRAW-LURJTMIESA-N	302.161	3.241	10	20	DGCD	
CC[C@@H](CNCc1ccc(C)cc1O)NC(=O)OC(C)(C)C	877561895	MYGLXOYRHGTHBF-AWEZNQCLSA-N	308.422	3.094	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C=CCC1	883833201	XBJIESNRFCQYTK-HNNXBMFYSA-N	301.434	3.250	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)[C@H](O)c2ccc(F)cc2)c1O	894259858	ZNQZEEIJLZWSDR-PXAZEXFGSA-N	319.376	3.060	10	20	DGCD	
CN(C)c1ccc(CN(Cc2nnsc2Cl)C2CC2)cc1	917074294	WEWILNLVPLLORA-UHFFFAOYSA-N	322.865	3.422	10	20	DGCD	
CC(C)c1nc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)n[nH]1	1331504697	QJGFRKLSISHZEO-SNVBAGLBSA-N	323.391	3.123	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CC3(CCCCC3)C2)c([N+](=O)[O-])c1	1608661225	PKWBHHFSYHOUBD-ALCCZGGFSA-N	316.357	3.463	10	20	DGCD	
COc1ccccc1OCCN(C)Cc1cccc(C)c1O	179761458	CUZIJFBBVIQRMP-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC([C@H]3CCCO3)CC2)c1O	189119368	CMOVNBJXKAVUIB-QGZVFWFLSA-N	321.392	3.125	10	20	DGCD	
CN(CCC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C	121270759	VZUVHDJLAYKXEY-UHFFFAOYSA-N	301.434	3.011	10	20	DGCD	
CCOC(=O)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)o1	182336896	OQVFJAWIBYLILS-NSHDSACASA-N	319.357	3.021	10	20	DGCD	
Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1	72748234	YKSDKDWEWISLKG-HNNXBMFYSA-N	312.413	3.145	10	20	DGCD	
C[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1	31730298	DNELWIIQFSTEQI-YOEHRIQHSA-N	303.450	3.473	10	20	DGCD	
COc1cc(Cl)cc(CN(C)CCc2nccs2)c1O	184701420	SSIUFISABYBYQT-UHFFFAOYSA-N	312.822	3.185	10	20	DGCD	
CSC[C@H](CCO)N[C@H](C)c1ccc2ccccc2c1O	185530406	HYHNYFONJJPOPT-OCCSQVGLSA-N	305.443	3.310	10	20	DGCD	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cccc(O)c2O)C1	185697327	NEWDXYJUZQZZTK-KGLIPLIRSA-N	311.381	3.424	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc[nH]1	137250802	NMQLPBZNABFRJF-UHFFFAOYSA-N	323.190	3.145	10	20	DGCD	
C[C@@H]1[C@@H](NCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1	383365356	UYBVHZWAENAUIV-UZLBHIALSA-N	322.452	3.374	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1	238118385	OOPXHRMMUNYIMS-OAHLLOKOSA-N	308.303	3.231	10	20	DGCD	
CCOc1cccnc1C(=O)NCc1c(C)c2ccccc2n1C	348696853	FZTIFHUIXOYWHI-UHFFFAOYSA-N	323.396	3.210	10	20	DGCD	
Cc1ccoc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	264793983	XZFYTEFMPSPDGG-OAHLLOKOSA-N	315.369	3.115	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc(F)ccc2O)cc1[N+](=O)[O-]	273596480	QWXVJDMCNWVVLW-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
C[C@H](NCCC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1O	274081280	WFEQQYQEKLLUJE-JSGCOSHPSA-N	308.378	3.300	10	20	DGCD	
C[C@@H](NC[C@@]1(N(C)C)CCSC1)c1cc(Cl)ccc1O	273563823	IVNMBXULYSTONU-ABAIWWIYSA-N	314.882	3.134	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CC1(OC)CCC1	282615915	ZIRRIAWJHYVLHR-UHFFFAOYSA-N	305.418	3.480	10	20	DGCD	
COCCc1ccnc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	287488723	NDYXWYJFYQCGNK-LLVKDONJSA-N	317.345	3.057	10	20	DGCD	
COc1cc(Cl)cc(CNc2cccc3c2COC3=O)c1O	809791253	IJXACNABTHMKAO-UHFFFAOYSA-N	319.744	3.337	10	20	DGCD	
CC(=O)C(=O)COc1ccc2cc(Br)ccc2c1	808012550	NRTNHPHPXPBMIQ-UHFFFAOYSA-N	307.143	3.139	10	20	DGCD	
C[C@H](NCCCCCN1CCCC1)c1cc([N+](=O)[O-])ccc1O	293808376	VMOKPVFFCBZWJM-AWEZNQCLSA-N	321.421	3.217	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CSC[C@H]1C	807477253	MDIZMVSPNMKEFD-UKRRQHHQSA-N	322.474	3.455	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NCCc1ccc(N)cc1	817956137	RODPJDXVGGRNIK-UTKZUKDTSA-N	323.484	3.312	10	20	DGCD	
Cc1cccc2nc(CNCc3cc(Cl)c(F)cc3O)cn12	816546963	DJCWVTLBWCLSLK-UHFFFAOYSA-N	319.767	3.431	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1	816646257	ARNQCAPIVPSEPL-ZULIPRJHSA-N	312.457	3.001	10	20	DGCD	
C[C@H](C1CC1)N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817917253	NRDSRPCSQPMVRH-LLVKDONJSA-N	315.442	3.187	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCC3(OC)CCCC3)C2)cc1	818221089	LFGRDQBTSSHLNQ-MRXNPFEDSA-N	318.461	3.070	10	20	DGCD	
C[C@H](NC[C@H]1CCCCN1)c1cc(Cl)c(Cl)cc1O	817950306	SJVPYWCPUKNSDU-VHSXEESVSA-N	303.233	3.492	10	20	DGCD	
Cc1ccc(OCCCC(=O)NCCc2ccc(N)cc2)cc1	818546284	GKPNQJHUDXAMES-UHFFFAOYSA-N	312.413	3.095	10	20	DGCD	
CC(C)[C@H]1N(C(=O)NCc2ccc(N(C)C)cc2)CC12CCC2	813560625	IGQIUSBBEPNLNN-QGZVFWFLSA-N	315.461	3.473	10	20	DGCD	
CC[C@@H](NCc1cc(Cl)c(F)cc1O)C1CCOCC1	816556295	FJULCMJQEUWLTN-CQSZACIVSA-N	301.789	3.480	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@H](C)COC)cc1F	812505515	OVQTUZNTGRMACA-KGLIPLIRSA-N	324.440	3.207	10	20	DGCD	
CC[C@@](C)(NCc1ccc(N2CCCCC2)c(C)c1)C(=O)OC	828583479	XXOXDNKSAPVCIL-LJQANCHMSA-N	318.461	3.417	10	20	DGCD	
COc1ccc(CN[C@@H](C(=O)O)c2ccc(F)c(C)c2)cc1C	901844973	YGIIQZMUYKBHAS-QGZVFWFLSA-N	317.360	3.367	10	20	DGCD	
COC(=O)c1cccc2c1CCN(Cc1cc(C)ccc1O)C2	835070820	XHAKKQWEMIGBDW-UHFFFAOYSA-N	311.381	3.046	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1cccnc1OCC(F)F)CC2	834696924	BRZXFHBNOZHPKG-CYBMUJFWSA-N	320.339	3.208	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc(Br)c(F)cc1O)[C@@H](C)O	834888221	NPWQBHLFDAOASN-SXMVTHIZSA-N	320.202	3.104	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H]2COc3ccccc3C2)c1O	846143483	JBAVFOADPWQJKB-KBPBESRZSA-N	313.397	3.303	10	20	DGCD	
CCOc1ccc(CN2CC3(CCOCC3)[C@H]2C(C)C)c(O)c1	840970406	QEFAMXDNXSATGG-GOSISDBHSA-N	319.445	3.428	10	20	DGCD	
CC1(C)OC(=O)c2c1ccnc2NCc1cc(Cl)ccc1O	845709592	VXDPKIBSTXXPDY-UHFFFAOYSA-N	318.760	3.458	10	20	DGCD	
Cc1ccc(CN2CCCc3cc(OC(F)F)ccc32)nn1	840939091	JWQWWPUJZUVQNY-UHFFFAOYSA-N	305.328	3.339	10	20	DGCD	
CCN(CC(=O)Nc1cccc(OC)c1)c1ccc(OC)cc1	746109095	JPYIIFLRWPXSIT-UHFFFAOYSA-N	314.385	3.169	10	20	DGCD	
COCc1nc(CN[C@H](C)c2ccc(Cl)cc2O)cs1	841753262	FTHMWFXUDLAAKF-SECBINFHSA-N	312.822	3.499	10	20	DGCD	
COc1cc(C)cc(CN(C)[C@H]2C[C@H](OC)C23CCC3)c1O	840143721	XGMYWQQADWRJCG-HOTGVXAUSA-N	305.418	3.099	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccc(OC)cc1O)[C@H]1CC1(C)C	841594096	PSVFOACLQULIRF-KGLIPLIRSA-N	306.406	3.025	10	20	DGCD	
COc1cc(Cl)cc(CNCCc2ncc(C)cc2C)c1O	848923949	TVCMZBTWRCVPSF-UHFFFAOYSA-N	320.820	3.398	10	20	DGCD	
CCOc1ccc(O)c(CNCc2ccc3c(c2)C[C@@H](C)O3)c1	922703432	VVUBCMXNOQMZKA-CYBMUJFWSA-N	313.397	3.404	10	20	DGCD	
COc1ccc2c(c1)OC[C@@H](N[C@@H](C)c1cc(C)ccc1O)C2	756774969	MYWPOXDSPDBRFV-ZFWWWQNUSA-N	313.397	3.364	10	20	DGCD	
CCC[C@H](OCC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	858341335	GDRLFMODIJUGHU-SFHVURJKSA-N	318.461	3.449	10	20	DGCD	
CNC(=O)CC1(CN[C@H]2CCc3cccc(O)c32)CCCCC1	850553951	ABXAUPYXVXSYQL-HNNXBMFYSA-N	316.445	3.056	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H]2COc3cc(F)ccc3C2)c1O	850537794	URUTYAHVLZHPSE-BXUZGUMPSA-N	317.360	3.194	10	20	DGCD	
Cc1cc(CNC(=O)C2=CCCCO2)c(C)n1-c1ccccc1	863165516	CRVCKNNNQQVJRC-UHFFFAOYSA-N	310.397	3.405	10	20	DGCD	
CC[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1cc(Cl)ccc1O	866463917	QGKVOQONCOGANG-JWYUURKGSA-N	311.731	3.398	10	20	DGCD	
Oc1cc2c(cc1CN1CCO[C@@H](C(F)(F)F)C1)CCCC2	768445187	GIVILXITQCRGFA-OAHLLOKOSA-N	315.335	3.034	10	20	DGCD	
CCc1ccccc1CCOC(=O)/C=C/c1ccc(O)c(O)c1	768774876	NOOMKAOYBBYKLF-CSKARUKUSA-N	312.365	3.459	10	20	DGCD	
CCC(=O)CNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	765457895	GPCVOQQHIJLPNS-UHFFFAOYSA-N	318.804	3.456	10	20	DGCD	
CN(CC1CC1)C[C@H]1CCN(Cc2c(O)cccc2Cl)C1	769516922	UWIKJASKZZIUJY-CQSZACIVSA-N	308.853	3.209	10	20	DGCD	
O=C1CCCCN1[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1	769341628	FMICNKRXYGVTRU-CYBMUJFWSA-N	322.836	3.023	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]2CC(=O)OC)cc1F	769485190	ZGJRCSGHQRRRAY-OAHLLOKOSA-N	322.424	3.199	10	20	DGCD	
C[C@@H](NC(=O)NCCC(F)(F)F)c1ccc(N(C)C)cc1	773341496	UXULONAOBWKLOH-SNVBAGLBSA-N	303.328	3.065	10	20	DGCD	
Cc1cc(Br)c(O)c(CNc2n[nH]c(C)c2C)c1	886197834	NPABBSKXERVHST-UHFFFAOYSA-N	310.195	3.415	10	20	DGCD	
C[C@@H](NCC(=O)N(C)c1ccccc1)c1ccc(N(C)C)cc1	775835497	ZXGDQJLTMIODPX-OAHLLOKOSA-N	311.429	3.066	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC2(CC(C)C)CC2)c1O	775032377	HMSWDCUMJKBFOO-UHFFFAOYSA-N	308.378	3.225	10	20	DGCD	
CCOc1ccc(N2CCN(CC(F)(F)C(F)F)CC2)cc1	1116416138	SKZYXCGHIPAKOY-UHFFFAOYSA-N	320.330	3.108	10	20	DGCD	
COc1cc(CN(C)Cc2c(C)cccc2O)cc(OC)c1	876596602	CFVVEUNCQRBUHM-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1F	779188243	IWPWAOLDDVNKGL-MRXNPFEDSA-N	306.425	3.283	10	20	DGCD	
Cc1ccc([C@H](O)[C@@H](C)NCc2cc(F)cc(F)c2O)cc1	883117723	GPBYCCBEOMMWRZ-BDJLRTHQSA-N	307.340	3.191	10	20	DGCD	
CC[C@@H](NCCCc1nc(C)no1)c1cc(Cl)ccc1O	775518959	JQTQTXPMNYTWED-CYBMUJFWSA-N	309.797	3.411	10	20	DGCD	
CC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	782024874	GCSQONMIKNVYNS-IBGZPJMESA-N	314.429	3.293	10	20	DGCD	
CC[S@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2c(O)cccc2F)C1	886536704	NNEQOQHOPMIXCE-AZZPWZESSA-N	313.438	3.262	10	20	DGCD	
Nc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1	1120268421	DTWDCULZNIZZBW-GOSISDBHSA-N	312.413	3.156	10	20	DGCD	
COc1ccc(CNCC2CC(NC(=O)C(C)(C)C)C2)cc1C	962576292	KUARAZHTZSKNIS-UHFFFAOYSA-N	318.461	3.034	10	20	DGCD	
CC(C)OC(=O)C1CCN(Cc2c(O)cccc2Cl)CC1	895829495	ULLCTDPKRMUJRL-UHFFFAOYSA-N	311.809	3.209	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCCN2CCCO[C@@H](C)C2)c(O)c1	788783706	NSFRFCACQFUTFO-DLBZAZTESA-N	320.477	3.161	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc(C)cc1C	780327701	LDJKMIUSCHJFNX-UHFFFAOYSA-N	311.429	3.427	10	20	DGCD	
CCOc1ccc(O)c(CNCC2(OC)CCC(C)CC2)c1	793292067	XRDMGSIRCZBTFW-UHFFFAOYSA-N	307.434	3.476	10	20	DGCD	
C[C@H](O)C[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F	793075316	ZEBYKFZHAHMSLI-MNOVXSKESA-N	304.356	3.020	10	20	DGCD	
CCNCC1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1326200085	NSHCBUXDBFJELO-UHFFFAOYSA-N	301.478	3.108	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H]1CC[C@H](C(N)=O)CC1	1261390021	YRJKTGDMIAAUEP-KBUPBQIOSA-N	316.445	3.130	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H]1CC[C@H](C(N)=O)CC1	1261390022	YRJKTGDMIAAUEP-TUVASFSCSA-N	316.445	3.130	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC([C@H]2NCC23CCC3)CC1	1580886111	YFKQDFHWOMPFBD-QGZVFWFLSA-N	322.399	3.025	10	20	DGCD	
CCOc1ccc(C=O)c(OCc2cc(C(=O)O)oc2C)c1	1597082409	MSRKYHRAUJFNRP-UHFFFAOYSA-N	304.298	3.076	10	20	DGCD	
COc1ccc(N(C)[C@H](C)c2ncc(C(=O)O)s2)cc1F	1599583845	FFVQHNSYSBCITA-MRVPVSSYSA-N	310.350	3.186	10	20	DGCD	
CCN(C)c1ccc(CN[C@@]2(C(=O)O)CCC[C@@H]2C)c(C)c1	1776856716	DYIFZWRTAYAIOX-KSSFIOAISA-N	304.434	3.184	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccc(F)cc1	158987877	CMFMQXLRFYFYLV-NSHDSACASA-N	303.333	3.047	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1COc2ccccc21	75159456	PULNXOUCGZHDQF-QGZVFWFLSA-N	323.392	3.063	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCCCO2)cc1	87140243	YKFLOCHHMBXFDX-KRWDZBQOSA-N	304.434	3.108	10	20	DGCD	
CC(C)C[C@@H](C)OCCC(=O)NCc1ccc(N(C)C)c(F)c1	87209981	IDWFSBFHJZYZOJ-CQSZACIVSA-N	324.440	3.349	10	20	DGCD	
Cc1cc(C)cc(OCCC(=O)N(C)Cc2ccccc2O)c1	119986299	VYBKOKCPQPDWSP-UHFFFAOYSA-N	313.397	3.437	10	20	DGCD	
CNC(=O)c1ccc(CN(C)Cc2c(O)cccc2Cl)cc1	121166992	UUBLQFVAYXEABR-UHFFFAOYSA-N	318.804	3.037	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(Cl)c1F	128596822	DGFSZODHIDYFFG-UHFFFAOYSA-N	324.739	3.255	10	20	DGCD	
COc1cc(C)cc(CN(C)Cc2cc(Cl)cn2C)c1O	164486085	HDFJXWWJJDJMIK-UHFFFAOYSA-N	308.809	3.333	10	20	DGCD	
C[C@@H](NCc1ccnc(N2CCCC2)c1)c1ccc(F)cc1O	184973223	OQLXNUQSWQXFPP-CYBMUJFWSA-N	315.392	3.377	10	20	DGCD	
Cc1cccc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	186427234	NGJWLIJFPDKZCS-CQSZACIVSA-N	313.397	3.086	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@@H](c2ccn[nH]2)C1	191256121	FCOXRRBXMZOCPV-SNVBAGLBSA-N	309.772	3.287	10	20	DGCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@@H]1CCCc2c1cnn2C	191431332	JOHVIQRGSGBLSP-CYBMUJFWSA-N	323.799	3.428	10	20	DGCD	
CCC(CC)[C@H](CN[C@@H](C)c1cc(OC)ccc1O)N(C)C	192953307	KVEUZDATKZKMMH-GUYCJALGSA-N	308.466	3.418	10	20	DGCD	
CCNC(=O)c1cccc(NCc2cccc(OCC)c2O)c1	236973559	UCRBTUFOHROBSN-UHFFFAOYSA-N	314.385	3.153	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)CC2CCOCC2)C2CC2)cc1	265339539	RBRXNXIRPYKRMZ-UHFFFAOYSA-N	316.445	3.060	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(N)cc2)cc1F	272658325	HANHSIJQMWJHAA-UHFFFAOYSA-N	315.392	3.184	10	20	DGCD	
CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)cc2)CCO1	273030695	YAVDGLALBGTPFQ-SJLPKXTDSA-N	318.461	3.210	10	20	DGCD	
COc1ccccc1CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273394853	LPLLOTLZPUANIN-GFCCVEGCSA-N	316.357	3.202	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCSC1	279345509	RNDGLQCHFPWVCF-HNNXBMFYSA-N	321.490	3.037	10	20	DGCD	
CCCN(Cc1cnn(CC(F)F)c1)c1ccc(CN)cc1	294814984	XBUYIHYXXWXXPS-UHFFFAOYSA-N	308.376	3.024	10	20	DGCD	
CC[C@H](COCC(F)(F)F)NCc1cc(C)c(C)cc1O	295207032	ZLXXLTJRBDPCQZ-CYBMUJFWSA-N	305.340	3.456	10	20	DGCD	
COC(=O)c1occc1CNCc1c(C)c2ccccc2n1C	355124175	KRXHFHKYDQXHOT-UHFFFAOYSA-N	312.369	3.156	10	20	DGCD	
COc1ccc2c(c1)c1c(n2CC(=O)N2CCCC2)CCCC1	650983438	DKNIYVSKIFAOQM-UHFFFAOYSA-N	312.413	3.151	10	20	DGCD	
C[C@@H](CC(=O)c1ccccc1F)C(=O)NCc1ccccc1O	743328853	WAOYTQRNEPUZEP-LBPRGKRZSA-N	315.344	3.057	10	20	DGCD	
COC(=O)[C@]1(C)CCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1	759753090	CPVWUFHYESNDOZ-LJQANCHMSA-N	319.445	3.383	10	20	DGCD	
CCCC1(C(=O)NCc2cccc(Br)c2O)CC1	765748670	ZPQQPYDELLTCJS-UHFFFAOYSA-N	312.207	3.351	10	20	DGCD	
CC(C)(C)c1ncc(/C=C/C(=O)N2CCc3ncccc32)s1	770226588	CEIKQSQIBDETNV-VOTSOKGWSA-N	313.426	3.438	10	20	DGCD	
CO[C@@]1(C)C[C@@H](NCc2cc(Cl)cc(F)c2O)C1(C)C	776220057	JTZKJLUIMBELTR-DOMZBBRYSA-N	301.789	3.478	10	20	DGCD	
Oc1ccc(F)cc1CN1CCN(c2cc(F)ccc2F)CC1	779019582	PSBURLWQVYNXAR-UHFFFAOYSA-N	322.330	3.132	10	20	DGCD	
CCC[C@@](C)(NCc1ccc(N(CC)CC)cc1)C(=O)OC	779431432	FINPEWJLSXMVIQ-GOSISDBHSA-N	306.450	3.354	10	20	DGCD	
CC[C@@H](CO)N(Cc1ccccc1)Cc1cc(F)ccc1O	779510023	HWFHORNNFGDVHL-KRWDZBQOSA-N	303.377	3.304	10	20	DGCD	
C[C@@H](Cn1cccn1)N[C@@H](C)c1cccc(C(F)(F)F)c1O	788646179	BKDRZJFGDLXNQG-QWRGUYRKSA-N	313.323	3.347	10	20	DGCD	
C[C@@H](NCCC1(O)CCC1)c1cccc(C(F)(F)F)c1O	788826872	HITPEOXDLYOMLE-SNVBAGLBSA-N	303.324	3.367	10	20	DGCD	
Cc1ccc(SC[C@H](C)NC(=O)c2cccc(O)c2O)cc1	790936451	DFCDSJVZWADONX-LBPRGKRZSA-N	317.410	3.317	10	20	DGCD	
CCC[C@H](NCc1cccc(OC)c1O)[C@@H](O)c1ccccc1	793241301	ODEJTUIHBWTTLQ-WMZOPIPTSA-N	315.413	3.393	10	20	DGCD	
COc1ccc(N(CCC(C)C)Cc2nnnn2C2CC2)cc1	796502771	DNZLYPBICCQHPW-UHFFFAOYSA-N	315.421	3.069	10	20	DGCD	
CCC[C@@]1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCOC1	807141843	WPXTVEHVYNVFSD-KBXCAEBGSA-N	319.449	3.072	10	20	DGCD	
CCOc1ccc(O)c(CN2CCCCC[C@H]2C[C@@H](C)O)c1	809700561	JCHCAWHNDHMRSM-ZBFHGGJFSA-N	307.434	3.306	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](OCC3CC3)C2)ccc1N(C)C	815095080	LXMUQWFQIYUKNH-GOSISDBHSA-N	302.462	3.452	10	20	DGCD	
COCCN(Cc1cc(Cl)c(F)cc1O)CC(F)(F)F	816498218	LVODPHVXUYPIMK-UHFFFAOYSA-N	315.694	3.195	10	20	DGCD	
C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1Cc1ccccc1O	817412428	KYLFNLAHHLOWRH-UKRRQHHQSA-N	305.418	3.334	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)[C@H](C)c3cnn(C)c3)cc12	817760994	JEIUHYBXVBYRJO-GFCCVEGCSA-N	311.385	3.238	10	20	DGCD	
C[C@H](NC1CCNCC1)c1ccc(N2CCCCC2)c(F)c1	817937200	VBWUHDCCTCXXKV-AWEZNQCLSA-N	305.441	3.219	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@H]2CC[C@H](CN)CC2)c2c(O)ccc(F)c21	817974812	FRZJFALGFNGZEX-BHPKHCPMSA-N	306.425	3.434	10	20	DGCD	
COCCN(Cc1cc(Cl)c(C)cc1O)CC(F)(F)F	824639112	HAYOJNDNCZGABH-UHFFFAOYSA-N	311.731	3.365	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](C(C)C)[C@H](CO)C(C)C)c1	824846597	UMFCZHGETNGZJU-AEFFLSMTSA-N	309.450	3.170	10	20	DGCD	
CC(C)Oc1ccc(N(C)Cc2nc(C3CC3)nn2C)cc1	828427616	OUQDKVOAMJSDGB-UHFFFAOYSA-N	300.406	3.116	10	20	DGCD	
CC[C@H](N[C@@H](C)C(=O)Nc1cccnc1C)c1ccccc1O	834912584	SMCSUQIPPGUYRR-ZFWWWQNUSA-N	313.401	3.164	10	20	DGCD	
C[C@H](NC(=O)N[C@@H]1CS[C@H](C)C1)c1ccc(N(C)C)cc1	840354999	VGAZPIYZHLYQEY-DYEKYZERSA-N	307.463	3.007	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCCC1	840931654	YJQZABCJZYQWEG-HNNXBMFYSA-N	303.450	3.188	10	20	DGCD	
CCCC[C@H](CN)NCc1cc(C)cc(Br)c1O	841030759	QKROSDLOAJVPMZ-GFCCVEGCSA-N	315.255	3.070	10	20	DGCD	
COc1cc(CNCCc2ccc(N)cc2)ccc1OC(F)F	841036850	PVNPOCGVXWGPMG-UHFFFAOYSA-N	322.355	3.211	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cccc3c2OCCO3)c1O	846151717	FOIPNGPOULOYPE-GFCCVEGCSA-N	315.369	3.023	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H]2COC3(CCCCC3)O2)c1O	846157122	AIQFOCRJWJLODR-ZIAGYGMSSA-N	321.417	3.127	10	20	DGCD	
CCN1C[C@@H](CN[C@H](C)c2ccc3ccccc3c2O)CC1=O	846210001	VFWNSIZUCXRGIQ-ZIAGYGMSSA-N	312.413	3.064	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCCN2CCCC[C@@H]12	848927644	JOKFUSKURGAJAO-MOPGFXCFSA-N	301.478	3.168	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN(CC2CC2)C1)c1cc(F)ccc1O	853240019	LOZBBPQQJBDKKR-HIFRSBDPSA-N	306.425	3.304	10	20	DGCD	
C[C@@H](Cc1ccccn1)NCc1cc(F)c(N(C)C)cc1F	858185997	NPHOFBUEDUBPPA-LBPRGKRZSA-N	305.372	3.147	10	20	DGCD	
CCCOC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	858910810	ZIZDYRGFAPRWHT-STQMWFEESA-N	324.396	3.076	10	20	DGCD	
CCCCN(C)C(=O)C1CCN(Cc2ccc(C)cc2O)CC1	876621703	GBNHJOFHAOIEMS-UHFFFAOYSA-N	318.461	3.171	10	20	DGCD	
COc1ccc(COCCCNCc2c(C)cccc2O)cc1	877005198	PBEKUMRDEAHMKJ-UHFFFAOYSA-N	315.413	3.406	10	20	DGCD	
c1ccc(CN2CCc3cc(CNCc4ncc[nH]4)ccc32)cc1	877672771	MTXHJCRBSNTRQR-UHFFFAOYSA-N	318.424	3.262	10	20	DGCD	
CC[C@H](O)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1	881383732	XOEGIOMBWUAZAF-SFHVURJKSA-N	314.433	3.069	10	20	DGCD	
COc1ccc(N2CCC(Nc3cc(C4CC4)ncn3)CC2)cc1	881906156	GSAOOXKYGMVOPJ-UHFFFAOYSA-N	324.428	3.444	10	20	DGCD	
C[C@@H](NC[C@H](CO)c1ccc(F)cc1)c1c(O)cccc1F	886626490	CXFKMKUVARQCMG-DGCLKSJQSA-N	307.340	3.097	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCCC[C@H]1[C@@H](O)c1ccccc1	912101236	OSAMBYJWABVDRB-HOCLYGCPSA-N	317.410	3.182	10	20	DGCD	
C[C@H]1CCN(C(=O)/C=C\c2cn(C)cn2)c2ccccc2S1	929691130	YMVJLKSZPDFQMM-WSROAFLRSA-N	313.426	3.351	10	20	DGCD	
COc1ccc(CNCCCNC(=O)C(C)(C)C(C)C)cc1C	1158827063	CTXOHECXCAMROY-UHFFFAOYSA-N	320.477	3.282	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@H]1C[C@@]12CCCc1ccccc12	1263894365	CWJLEDJOSMTJES-OXQOHEQNSA-N	323.392	3.008	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCCCCN2)cc1	1332507801	UTEJEYHKBOHWGA-GOSISDBHSA-N	317.477	3.023	10	20	DGCD	
C[C@H](NCC(C)(C)CC(F)F)c1cc(C(=O)O)ccc1O	1593241174	WMPJWHNSPUYXLP-VIFPVBQESA-N	301.333	3.422	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cncc(C(=O)O)c1	1600236011	FEIJNJXQRNVTIW-ZDUSSCGKSA-N	313.401	3.005	10	20	DGCD	
CC(C)Cc1ncc(CNCc2ccc(C(=O)O)cc2O)s1	1776342602	PNOROCOCORWKPZ-UHFFFAOYSA-N	320.414	3.035	10	20	DGCD	
Cc1c(Cl)cccc1NC(=O)CN(C)Cc1ccccc1O	109772549	DXUOXKBFLGQHJS-UHFFFAOYSA-N	318.804	3.425	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2C)c1	103506192	HZJBEQANPNSTMK-SLEUVZQESA-N	306.406	3.340	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2C[C@H]3CCCC[C@H]3C2)cc1	176398746	WHUZDXDYNDJOQV-IYBDPMFKSA-N	301.434	3.084	10	20	DGCD	
CCc1sc(C(=O)NCc2cc(OC)ccc2O)cc1C	114544325	JLPKNELWDBMTCZ-UHFFFAOYSA-N	305.399	3.263	10	20	DGCD	
Cc1ccccc1-n1cc(C(=O)N(C)Cc2ccccc2O)cn1	69966927	NEHVNXLUJCEWJT-UHFFFAOYSA-N	321.380	3.159	10	20	DGCD	
Cc1csc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1	126956132	LQWXQZIPFDTJKS-HNNXBMFYSA-N	318.442	3.338	10	20	DGCD	
COc1ccc(O)c(CN(Cc2ccco2)C[C@@H]2CCCO2)c1	179838517	KGFQFXMTKHAMDX-KRWDZBQOSA-N	317.385	3.175	10	20	DGCD	
C[C@H]1Oc2ccc(NCc3ccc(N(C)C)cc3)cc2NC1=O	121694397	LQFAOFFVEWCOAM-GFCCVEGCSA-N	311.385	3.084	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@](C)(O)c2cccs2)c1	185518744	TXMHIYXEHQYBGQ-MEDUHNTESA-N	307.415	3.021	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)co1	188430000	FMKPMYGIAOZFRI-UHFFFAOYSA-N	316.426	3.071	10	20	DGCD	
Cc1ccc([C@@H](CNCc2cc(F)ccc2O)N2CCCC2)o1	180917960	NMDVSFAAQZCRCD-MRXNPFEDSA-N	318.392	3.359	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2cc(C)cc(C)c2)c1	182392208	DMFRLUNHPCCALU-AUUYWEPGSA-N	315.413	3.402	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](C)C2)cc1	195564987	XRDZYKJJVANCLG-HNNXBMFYSA-N	303.450	3.474	10	20	DGCD	
COCCN(Cc1ccc(N2CCCCC2)cc1)CC(F)F	92965853	BKFLHBZDXSCALN-UHFFFAOYSA-N	312.404	3.390	10	20	DGCD	
Cc1c(CNC2CCN(CC3CC3)CC2)n(C)c2ccccc12	527528532	YBYQSAZMKRRVJX-UHFFFAOYSA-N	311.473	3.451	10	20	DGCD	
CCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1	266452660	OQIRXHKDGBOVEW-UHFFFAOYSA-N	321.398	3.290	10	20	DGCD	
CCOC1CC(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1	276569339	HBPUQZCCTRDJQH-LKSINWNRSA-N	308.378	3.156	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H](C)C(C)(F)F)n(C)c2ccccc12	454878522	SWCONEXIRMJDQC-NSHDSACASA-N	309.360	3.330	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCN3CCC[C@@H]3C2)cc1	378951310	HTXCXOPWJQOVRI-IEBWSBKVSA-N	301.478	3.249	10	20	DGCD	
CC[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(C)cc1O	377580357	BPLNGMKORGTFRJ-FCEWJHQRSA-N	313.397	3.236	10	20	DGCD	
C[C@H](N[C@H]1CCc2c[nH]nc2C1)c1cc2c(cc1O)CCCC2	370397824	OHHSYNIFKDYKCA-LRDDRELGSA-N	311.429	3.202	10	20	DGCD	
CCOc1ccccc1NC[C@H](O)COc1cccc(C)c1	386896157	HWQXRRYWTQQEME-HNNXBMFYSA-N	301.386	3.246	10	20	DGCD	
CN(C)c1ccc(CN2CCOCC23CC3)c(C(F)(F)F)c1	802658704	OHAHCKVCBZNWNP-UHFFFAOYSA-N	314.351	3.136	10	20	DGCD	
CO[C@H](C)[C@@H](C)N[C@@H](C)c1cc(Br)cc(F)c1O	810258098	ZGLHEKYYMDNXRT-HRDYMLBCSA-N	320.202	3.368	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1cn2ccccc2n1	816530069	RRDDXCAXILTYKT-UHFFFAOYSA-N	305.740	3.122	10	20	DGCD	
O=C1OCc2ccc(NCc3cc(Cl)c(F)cc3O)cc21	816612997	DWWAXMPLTPHXPU-UHFFFAOYSA-N	307.708	3.467	10	20	DGCD	
O=[N+]([O-])c1cccc(CCNCc2cc(Cl)c(F)cc2O)c1	816559193	BFEUREPMQVAKFN-UHFFFAOYSA-N	324.739	3.425	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCN(C)C(C)C)cc1	726195456	YTDJTUXXTQOSJC-UHFFFAOYSA-N	313.445	3.164	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NOCC1CCC1	824099002	NOJXFTUYPYWZFT-UHFFFAOYSA-N	306.406	3.436	10	20	DGCD	
CC(C)(C(=O)O)[C@@H](NC(=O)c1cc(O)cs1)c1ccccc1	826103206	NZHGTKMBTNYFME-ZDUSSCGKSA-N	319.382	3.036	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccsc2C(=O)O)c1	833733925	VWPREANRKCKFCD-VIFPVBQESA-N	307.371	3.011	10	20	DGCD	
COC1CCN(c2ccc(CN3CC[C@H](SC)C3)cc2)CC1	830888995	LJHJRLUNWOPLFV-SFHVURJKSA-N	320.502	3.239	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21)C(C)C	834880247	QDGFFTQOHKMATA-ZUCKAHLUSA-N	322.424	3.172	10	20	DGCD	
Cc1noc(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	914506153	HCQHMUWXOXPSBL-UHFFFAOYSA-N	315.417	3.408	10	20	DGCD	
Cc1cc(O)c(CN(C)C[C@H]2COc3ccccc3O2)cc1C	915824967	MNMPLHGFIMFAQD-INIZCTEOSA-N	313.397	3.281	10	20	DGCD	
COC1([C@H](C)NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1	840355158	XZJXRPMCHAAFQC-KBPBESRZSA-N	319.449	3.070	10	20	DGCD	
C[C@H]1Cc2ccccc2N1C(=O)NCc1ccc(N(C)C)cc1	914689131	CTFMQHZLCZAUTA-AWEZNQCLSA-N	309.413	3.413	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC[C@@H]([C@H]2CCCNC2)C1	843126046	FFULDVJIRJXCNT-UONOGXRCSA-N	308.853	3.257	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCC[C@@H]1C[C@H]2C=C[C@H]1C2	847405084	WZWKNBPIZIBEJD-SOUVJXGZSA-N	300.402	3.136	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCC2CC3(C2)OCCO3)c1O	927001927	QQYBRAMNQRSLMT-LLVKDONJSA-N	311.809	3.158	10	20	DGCD	
C[C@@H](NCc1nccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1	840868197	VXGGYBUTHJXWNP-LLVKDONJSA-N	324.350	3.412	10	20	DGCD	
CCCN(Cc1ccccc1O)c1ncc([N+](=O)[O-])cc1F	840274205	CZXLHSPMXYUBRB-UHFFFAOYSA-N	305.309	3.251	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@H]2COC3(CCCC3)O2)c2c(O)ccc(F)c21	756785953	HCVLLGGNJFRMRW-DYEKYZERSA-N	321.392	3.355	10	20	DGCD	
COC(=O)c1cc(CN(c2ccc(OC)c(F)c2)C(C)C)on1	929949631	AOWUJEPSEJIDPU-UHFFFAOYSA-N	322.336	3.024	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCC2(C3CC3)CCC2)cc1F	752211589	CHGDVYGWKDADRI-UHFFFAOYSA-N	319.424	3.271	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)C2CCC(C)CC2)cc1F	757851650	OOBRWIPSICZIJF-UHFFFAOYSA-N	322.424	3.308	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC)c(F)c2)c(F)c1	759165965	NBENTYDPGIKDFD-UHFFFAOYSA-N	321.323	3.396	10	20	DGCD	
COc1cccc(O)c1CNCc1cnccc1C(F)(F)F	853095056	GVASANYEFHOOOC-UHFFFAOYSA-N	312.291	3.104	10	20	DGCD	
O=C(O)[C@@H]1CCCCC[C@@H]1NCc1c(O)ccc(Cl)c1F	864517207	XGHNCQOFLNTPRR-SKDRFNHKSA-N	315.772	3.308	10	20	DGCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(-c2ccccc2)ccc1O	765794503	CTLACDVCANISMH-QZTJIDSGSA-N	324.424	3.064	10	20	DGCD	
CCC1(C(=O)NCc2cccc(Br)c2O)CCC1	765752655	YJXGIFHYYFCNHS-UHFFFAOYSA-N	312.207	3.351	10	20	DGCD	
COc1cc(O)c(CNc2cnn(CC(C)C)c2C)cc1OC	776257472	XMPWANZJAAJCJC-UHFFFAOYSA-N	319.405	3.182	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F	877538913	HTUCXPJMNVPVCH-CQSZACIVSA-N	324.415	3.125	10	20	DGCD	
CCc1nc([C@@H]2CCCCN2Cc2c(C)cccc2O)no1	876627895	KMCWOQGIWHHJFW-AWEZNQCLSA-N	301.390	3.373	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)c1ccc(N(C)C)cc1	776170969	QXKTVJOYBLLWGZ-YRKGFMSESA-N	313.445	3.157	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1nc(C2CC2)no1	774484991	UHXWWHRAEBGKSI-NEPJUHHUSA-N	300.406	3.425	10	20	DGCD	
COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cc(C)c(C)cc1O	779431976	JEXYZKCQNBAFNV-CRAIPNDOSA-N	305.418	3.221	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)c(O)c1	877005755	ANZFSFGWDCMHCB-ZDUSSCGKSA-N	310.397	3.070	10	20	DGCD	
CC[C@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1C	776149621	ISGICXBRGBHHDO-GUYCJALGSA-N	303.450	3.391	10	20	DGCD	
C[C@H](NC(=O)NCc1ccccc1O)c1ccc(N(C)C)cc1	773621561	ZKNZVLRSNBPDCS-ZDUSSCGKSA-N	313.401	3.019	10	20	DGCD	
C[C@H](NCC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1	775834717	PIDMRCQTIPDWMY-VKJFTORMSA-N	317.477	3.098	10	20	DGCD	
CCOc1ccc(N2CCN(Cc3ccc(C)cn3)CC2)cc1	1139841547	YFMRSCVTKQHGEU-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
CC[C@@H](C)CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089828572	BGRXQHPWHHABEI-CQSZACIVSA-N	319.424	3.300	10	20	DGCD	
CCc1[nH]nc(NCc2c(O)cccc2Br)c1C	1329140003	IFLCSNXQXOHLCH-UHFFFAOYSA-N	310.195	3.361	10	20	DGCD	
Cc1ccc(COc2ccc(N(C)C)c(C(=O)O)c2)c(C)n1	1600422030	RIBCPVUNKQOWSJ-UHFFFAOYSA-N	300.358	3.042	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc(C(=O)O)cc2F)cc1C	1607699999	PVGCUYRUWZVETA-UHFFFAOYSA-N	303.333	3.136	10	20	DGCD	
C[C@@H](C(=O)O)c1cccc(NCc2cc(F)cc(F)c2O)c1	1589532703	UVUYMFBHHHVQBL-SECBINFHSA-N	307.296	3.471	10	20	DGCD	
CN(Cc1ccccc1O)Cc1c(C(=O)O)[nH]c2ccccc12	1598530563	LILKGHDJKPEEFN-UHFFFAOYSA-N	310.353	3.204	10	20	DGCD	
CCN(Cc1cc(C(=O)O)ccc1OC)c1ccc(OC)cc1	1596355765	CPHBANOQMZVEFG-UHFFFAOYSA-N	315.369	3.429	10	20	DGCD	
CC[C@H](NCc1ccc(C)c(-c2nn[nH]n2)c1)c1ccccc1O	1590467226	TWLZWUHPDBGEGL-INIZCTEOSA-N	323.400	3.122	10	20	DGCD	
CC/C=C(\C)C(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1	1752619702	MCPMWMRPCAZLRG-PVKFYKOYSA-N	316.445	3.097	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CC[C@](C)(C(=O)O)C2)cc1F	1776861208	ODEPUGORRPODHH-KSSFIOAISA-N	322.424	3.405	10	20	DGCD	
CC[C@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C	5263778	WCPLCKMGPXEQHT-LBPRGKRZSA-N	303.431	3.094	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1F	17117787	VLKFMNYIZHEVMU-UHFFFAOYSA-N	315.392	3.233	10	20	DGCD	
CCCCNC(=O)[C@@H]1CCCN(Cc2cc(C)cc(C)c2O)C1	164231729	KPJBCVNIGDSAFI-MRXNPFEDSA-N	318.461	3.137	10	20	DGCD	
CC[C@@](C)(NCc1cc([N+](=O)[O-])ccc1O)c1nccs1	152626153	HFCYAKYVMHYFLV-CQSZACIVSA-N	307.375	3.172	10	20	DGCD	
CCN(Cc1ccc(N(CC)CC)c(F)c1)Cc1cnn(C)c1	92437821	QXOHKWWZTJAOCQ-UHFFFAOYSA-N	318.440	3.428	10	20	DGCD	
Cn1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1	103038829	LWUABUYHTIGYBT-UKTHLTGXSA-N	300.408	3.431	10	20	DGCD	
CC(C)N(C)C(=O)C1CCN(Cc2c(O)cccc2Cl)CC1	119763511	VOXPUOWRTSLEGX-UHFFFAOYSA-N	324.852	3.124	10	20	DGCD	
CC(C)CCc1noc(CN(C)c2ccc3c(c2)OCO3)n1	121378723	ZGXBLYPDQRLWGY-UHFFFAOYSA-N	303.362	3.023	10	20	DGCD	
CC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	132989965	MCKDXLWCCSJZPO-NVXWUHKLSA-N	303.450	3.473	10	20	DGCD	
Cc1ccc2c(c1)OCCN2C(=O)/C=C/c1ccc(Cl)nc1	135800076	PDTWHWNLASTFQA-QPJJXVBHSA-N	314.772	3.482	10	20	DGCD	
OC[C@H]1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)CC1	153155742	OJGHICSTTFOCJP-WVSHTKLVSA-N	304.217	3.340	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H](c2ccccc2)C2CC2)c1	158652784	OTMQLAVMXYDLPG-GOSISDBHSA-N	311.381	3.211	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N(C)C3CCCC3)ccc21	172022562	ZIEGIQVMPLVEMR-UHFFFAOYSA-N	301.434	3.153	10	20	DGCD	
CCOc1cccc(CN2CCc3cc(F)ccc3C2)c1O	181442205	VOCVIJHWOSCIOZ-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
Cn1ccnc1C[C@H]1CCCN(Cc2cccc(Cl)c2O)C1	182089946	ZAUYFVSHZDNXQX-CYBMUJFWSA-N	319.836	3.234	10	20	DGCD	
CC[C@@H](O)CCN[C@H](C)c1cc(Br)cc(C)c1O	187308757	PKLIZWJANLRICO-ZYHUDNBSSA-N	316.239	3.275	10	20	DGCD	
CCOC(C)(C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C	188382495	ZCDYJJZTMBULFO-UHFFFAOYSA-N	315.417	3.034	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1C	189424477	XJYXHQXYHNTNGG-UHFFFAOYSA-N	309.362	3.203	10	20	DGCD	
NCCCN(Cc1ccccc1)Cc1c(O)cccc1Cl	230008708	YKFFQRAXHWLCIO-UHFFFAOYSA-N	304.821	3.397	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2c3ccccc3C[C@@H]2O)cc1	268850628	PMZQNXPOMUJZMW-PNHOKKKMSA-N	310.441	3.452	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCC[C@@H]2C[C@@H](C)O)c1O	280487440	ONCJRFICLFRQMY-BXUZGUMPSA-N	313.825	3.180	10	20	DGCD	
CC1(C)CC[C@@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	286566592	ITBGYKYFPSFCCK-INIZCTEOSA-N	301.434	3.275	10	20	DGCD	
CCCOc1ccc(CN2CC[C@](CO)(CCC)C2)c(O)c1	290169218	MQTDASAAZWKVRY-GOSISDBHSA-N	307.434	3.166	10	20	DGCD	
Cc1cccc(CN[C@H](CN(C)C)c2ccc(F)cc2)c1O	290361480	GVMKJLGCYPYSMY-QGZVFWFLSA-N	302.393	3.232	10	20	DGCD	
Cc1ccoc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	293657438	LTCPZEOSSZEXSY-AWEZNQCLSA-N	318.392	3.415	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)CCN1C	316426121	BETZFULSCWCIOO-SJLPKXTDSA-N	301.478	3.249	10	20	DGCD	
CN(C)c1ccc(CNC[C@@]2(C)CCO[C@H]2C2CC2)cc1F	368765182	MPOJKAWRUFNOAH-ZWKOTPCHSA-N	306.425	3.187	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC(F)(F)CC2)c1O	404757732	CIYNBIMCLPBCHR-UHFFFAOYSA-N	303.736	3.479	10	20	DGCD	
Cc1c(CNC(=O)N2CC[C@](C)(F)C2)n(C)c2ccccc12	472220734	JJKYRNKROXPVDD-KRWDZBQOSA-N	303.381	3.130	10	20	DGCD	
O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1c1cccnc1	588523657	LXPDNSNOCXFCHQ-WDZFZDKYSA-N	317.370	3.022	10	20	DGCD	
CC[C@H](CNCc1cc(Cl)cc(Br)c1O)OC	708100275	UWVCWUVUEFRFSB-SNVBAGLBSA-N	322.630	3.323	10	20	DGCD	
C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(O)cs2)C1	732275828	CJCQNSZZZFFSDW-TZMCWYRMSA-N	316.426	3.019	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCO[C@@H](C(F)(F)F)C1	739876186	YJOFDGFFFIQHAI-OAHLLOKOSA-N	311.303	3.309	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)c3cn[nH]c3)c2C)c1	746445433	KSDHREBWKVLQQL-UHFFFAOYSA-N	308.385	3.402	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cccc(CO)c2)c2c(O)ccc(F)c21	756547325	AVSUZJJKXFHLLN-ABAIWWIYSA-N	301.361	3.362	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCCc2ccccc21)c1cc(F)ccc1O	756561608	FQOAMSYGNNAMGC-YJYMSZOUSA-N	315.388	3.406	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1O	756710077	ABGHMLAIBZTLQW-IAQYHMDHSA-N	321.804	3.438	10	20	DGCD	
COc1ccc(N(Cc2cn(C)nn2)Cc2cccs2)cc1	761677454	YLFMDYYYZYYHTH-UHFFFAOYSA-N	314.414	3.092	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CC(F)(F)F)c1	766655525	CWGDUCVSNBIKPI-RKDXNWHRSA-N	320.311	3.102	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cnc3cnccn23)cc1	768207421	IIOISAQUPFHWEF-UHFFFAOYSA-N	323.444	3.208	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC(C)(C)C1	768763697	JYXVXHZOQZFFND-HNNXBMFYSA-N	303.450	3.439	10	20	DGCD	
c1cc2c(cc1CNC1(c3ccc4c(c3)OCO4)CC1)CCO2	769934786	XBNRRCRKZKQSDD-UHFFFAOYSA-N	309.365	3.129	10	20	DGCD	
CCC(C)(C)N[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	773412989	JFDBFWGITDPGJD-CYBMUJFWSA-N	318.461	3.054	10	20	DGCD	
CC[C@H](NCc1cn(-c2ccccc2)nn1)c1ccccc1O	775415289	NTFJRZKUAYFJJU-KRWDZBQOSA-N	308.385	3.214	10	20	DGCD	
OC[C@H]1c2ccccc2CCN1Cc1cc(Cl)cc(F)c1O	775700246	JMFYTCMDMPPKIV-INIZCTEOSA-N	321.779	3.276	10	20	DGCD	
COC(=O)c1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)s1	775837504	UBCNOEHRQOWJNX-GFCCVEGCSA-N	318.442	3.452	10	20	DGCD	
CC[C@]1(O)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1	793091737	DXLMMBMUHZVHEX-HNNXBMFYSA-N	316.367	3.118	10	20	DGCD	
CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1cc(OC)ccc1O	807961729	CBABUHGVOFMNEL-VIFPVBQESA-N	320.349	3.007	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCC2([S@@](C)=O)CCC2)c1O	808719335	VYRSZQBDOMUZQE-PRWKNARSSA-N	315.866	3.306	10	20	DGCD	
CN(C)CCN(Cc1ccccc1)Cc1cc(F)ccc1O	809728022	HZMYZDMVUZANBP-UHFFFAOYSA-N	302.393	3.095	10	20	DGCD	
CCN(Cc1c(O)ccc2ccc(OC)cc12)C[C@H](C)OC	812303312	OKPCTQYYKOTSTF-ZDUSSCGKSA-N	303.402	3.411	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2ccc(-n3ccnc3)nc2)c(O)c1	815557467	VMPSYUYEULNMET-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cnn(CC(F)F)c1	816565088	AYRXEMVUZHJMAL-UHFFFAOYSA-N	307.344	3.110	10	20	DGCD	
CN(CCCN1CCCC1)Cc1cc(Cl)c(F)cc1O	816598671	LKGRJYGNFNALST-UHFFFAOYSA-N	300.805	3.102	10	20	DGCD	
C[C@@H](NCC[C@H]1CCNC1)c1cccc(C(F)(F)F)c1O	817954825	KVMUXBJIKFOINV-GHMZBOCLSA-N	302.340	3.061	10	20	DGCD	
C[C@@H](NC[C@H]1NCCc2ccccc21)c1ccc(N(C)C)cc1	817973356	DOBHJONLZKNNOC-FOIQADDNSA-N	309.457	3.290	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CC[C@H]3CNC[C@@H]3C2)c2c(O)ccc(F)c21	817985091	ABZXAGCRHJYLSG-KDBYPZKRSA-N	304.409	3.057	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)C1(Cc2ccccc2)CCC1	828912050	IEPPAGFLIIVOAQ-UHFFFAOYSA-N	311.381	3.127	10	20	DGCD	
Cn1ccnc1[C@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1	834503244	XBJVMMGICJKZOV-QFBILLFUSA-N	319.408	3.492	10	20	DGCD	
CCC1(C)CN(Cc2cc(Br)cc(OC)c2O)C1	839142529	IDQGTRMVNPMRCB-UHFFFAOYSA-N	314.223	3.395	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1nnc(C(C)C)o1)CCC2	839656875	WBECVZRQDIFZPH-UHFFFAOYSA-N	317.389	3.163	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)Cc1c(C)noc1C	840933602	IJDHYUWMRFIJRB-ZDUSSCGKSA-N	301.434	3.387	10	20	DGCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCC[C@@H]1C(C)(C)C	841688446	HPDMIKCACOBFDI-UXLLHSPISA-N	319.445	3.465	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@H](C)c1ccc(Cl)cc1O)C2	841745737	SMXUNQUEEVZZFQ-YGRLFVJLSA-N	317.820	3.352	10	20	DGCD	
CCN(CC)c1ccc(CN2[C@@H](C)CC[C@H]2C(=O)O)cc1F	844936706	WHKIJCJMMUWQRO-LRDDRELGSA-N	308.397	3.109	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](c2ccccc2)N(C)C)c1O	846135126	BJKMDNGNDKUQPH-RHSMWYFYSA-N	314.429	3.354	10	20	DGCD	
COc1ccc(CNC(=N)N[C@@H](C)CCCC(C)C)c(O)c1	849025262	WMEZIOOLBMJJLC-ZDUSSCGKSA-N	307.438	3.230	10	20	DGCD	
COc1cc(Br)cc(CN[C@@]2(C)CC2(C)C)c1O	850400128	ZVHAMVZLMXLWSX-AWEZNQCLSA-N	314.223	3.442	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(Cl)cc1O	850501349	AJUGCRBCDVZJAI-IUNRRVLSSA-N	315.866	3.386	10	20	DGCD	
CN(C[C@H]1CC1(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1	852138668	QTYUVXAFBGWJNO-MRXNPFEDSA-N	313.445	3.250	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2COc3cc(C)c(C)cc32)c1	862757190	KQGJQOLWJIZLKH-MRXNPFEDSA-N	311.381	3.110	10	20	DGCD	
CC(C)[C@H](NCc1cc(Cl)ccc1O)[C@H](O)C(F)(F)F	865710964	GJHVEWDBULEMNG-RYUDHWBXSA-N	311.731	3.083	10	20	DGCD	
Cc1ccc(CN[C@H](C)C[C@H](O)c2ccc(F)cc2)c(O)c1	877131356	YKAJIXZEQDZFMH-ACJLOTCBSA-N	303.377	3.442	10	20	DGCD	
COc1cc(F)cc(CNCc2cc(C)cc(OC)c2O)c1	894360892	BCNXJKIJAUQQJA-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
COc1cccc(CNCc2cc(C)cc(OC)c2O)c1C	895351643	JBNNGNCSVNEKBJ-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
CCOc1ccc(CNC(C)(C)[C@@H](O)c2ccccc2)c(O)c1	895657676	CXSWGLDBGPKLAK-SFHVURJKSA-N	315.413	3.393	10	20	DGCD	
COc1cccc(O)c1CN(C)CCCCN1CCCCC1	895685694	NCOMFEFBQOZHQS-UHFFFAOYSA-N	306.450	3.099	10	20	DGCD	
Cc1cccc(CN2CC(c3nc(-c4ccccc4)no3)C2)c1O	897320156	MNKHTTPYOQJTOF-UHFFFAOYSA-N	321.380	3.350	10	20	DGCD	
CC/C(C)=C/C(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089831006	QFKYCNXYWQLENP-BUHFOSPRSA-N	317.408	3.220	10	20	DGCD	
COc1ccccc1C1(NC(=O)Cc2ccc(N)cc2)CCC1	1118267589	KRCJHNOFKCUYCA-UHFFFAOYSA-N	310.397	3.016	10	20	DGCD	
CCOc1ccc(CN(C)Cc2ccc(N)cc2)cc1OC	1120262744	CDBUBFHZCSCUOF-UHFFFAOYSA-N	300.402	3.308	10	20	DGCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)c1ccc(F)c(F)c1	1319158332	WCACQAOBRPWTRK-NSHDSACASA-N	305.324	3.433	10	20	DGCD	
O=C(COCc1ccccc1)Nc1c(Cl)ccc2nonc12	1320978912	UOOAZQPERSHXQN-UHFFFAOYSA-N	317.732	3.032	10	20	DGCD	
Cc1cc(-c2nnc(C3CCOCC3)o2)c(C)n1-c1ccccn1	1324284437	UXSPIFNPBVBBQP-UHFFFAOYSA-N	324.384	3.433	10	20	DGCD	
COc1cc(CN2CCOc3cc(N(C)C)ccc32)ccc1F	1325555711	WFMVGPRBKOSMIT-UHFFFAOYSA-N	316.376	3.299	10	20	DGCD	
C[C@@H]1[C@H](CC(=O)O)CC[C@H]1NCCCSc1nccs1	1594182709	FYKXJXHNXIJDMD-GRYCIOLGSA-N	314.476	3.104	10	20	DGCD	
CCc1cccc(CN2CCc3ccccc3[C@@H]2C(=O)O)c1O	1597586210	ASQKKMJEPOBSSZ-QGZVFWFLSA-N	311.381	3.139	10	20	DGCD	
O=C(O)[C@@H](CNCc1cc(F)c(F)cc1O)CC1CCCC1	1601653331	FOBOUZLVJKRHPM-GFCCVEGCSA-N	313.344	3.041	10	20	DGCD	
Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccc1C(=O)O	1607635861	KCYBNZHTLFXBLL-UHFFFAOYSA-N	312.413	3.391	10	20	DGCD	
COc1cccc(CNC(=O)NCC(C)(C)CC(C)C)c1O	83750695	FMAGNCRNLYUSCR-UHFFFAOYSA-N	308.422	3.272	10	20	DGCD	
CC(C)COc1ncccc1C(=O)N(C)Cc1ccccc1O	103190104	QSFDIYTXOPKUSU-UHFFFAOYSA-N	314.385	3.094	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(F)cc1F	115281106	LSZRREVZGBAFBA-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1	164537782	OFYVKLGKVSSKBW-APWZRJJASA-N	314.473	3.458	10	20	DGCD	
CCC[C@](C)(NCc1ccc(N2CCCCC2)cc1)C(=O)OC	184048051	SJDVTNCCJBGZCS-IBGZPJMESA-N	318.461	3.498	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)[C@H](O)c2ccc(F)cc2)c1	185468469	RFLODBQJAXSQFW-IUUKEHGRSA-N	319.376	3.313	10	20	DGCD	
CCN(C)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)cn1	191149989	AVZBQCWVBHFWRX-UHFFFAOYSA-N	312.461	3.236	10	20	DGCD	
CC[C@@H](N[C@@H]1CC[C@H](C(=O)OC)C1)c1ccc(N(C)C)cc1	193872895	QQARPJZEURKFJQ-ZMSDIMECSA-N	304.434	3.135	10	20	DGCD	
Cc1cccnc1NC(=O)NCc1ccc2c(c1)CCCN2C	194639540	OEWKONRVWVJRPB-UHFFFAOYSA-N	310.401	3.094	10	20	DGCD	
C[C@H](CCc1ccccc1F)C(=O)NCCc1ccc(N)cc1	237523792	HGANKXAODZBADT-CQSZACIVSA-N	314.404	3.336	10	20	DGCD	
C[C@](O)(CNCc1ccc(N2CCCCC2)cc1)C(F)(F)F	270485221	KDCMPCQNPXBOIT-HNNXBMFYSA-N	316.367	3.080	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@@H]2c2ccc[nH]2)cc1OC	271805045	MCSBYNLZEJUWHD-CQSZACIVSA-N	302.374	3.075	10	20	DGCD	
CN1CC=C(CNCc2cc(-c3ccccc3)ccc2O)CC1	271857756	VHMQTSRQAOJXRP-UHFFFAOYSA-N	308.425	3.411	10	20	DGCD	
C[C@H](NCCC[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1O	274081278	WFEQQYQEKLLUJE-GXTWGEPZSA-N	308.378	3.300	10	20	DGCD	
COC(=O)C1(CNCc2cc(-c3ccccc3)ccc2O)CC1	275334227	VZYNIGODRPXKLG-UHFFFAOYSA-N	311.381	3.102	10	20	DGCD	
CCC[C@@H](NCc1cc(OC)ccc1O)[C@H](O)c1ccccc1	279635313	IPONGNXJFLOLFD-IEBWSBKVSA-N	315.413	3.393	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H]2CCCC23CCOCC3)c1O	282146456	SHGKIVCJQICJGG-INIZCTEOSA-N	321.392	3.173	10	20	DGCD	
CC[C@@H](N[C@H](C(=O)N(C)CC)C(C)C)c1ccc(F)cc1O	296586234	URZKKSBDSNNAIR-ZBFHGGJFSA-N	310.413	3.075	10	20	DGCD	
Oc1cccc2c1[C@@H](NC1CCC(O)(c3cccnc3)CC1)CC2	296588551	WSBPJEUXXXPUHG-GNZRSQJKSA-N	324.424	3.195	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@@H](c2ncc[nH]2)C1	365260153	SNJAXTBBISBYLG-SNVBAGLBSA-N	309.772	3.287	10	20	DGCD	
O=C(c1c[nH]nc1-c1cccnc1)N1CCc2cc(Cl)ccc21	553298599	CFCFBNMFYPHVMH-UHFFFAOYSA-N	324.771	3.328	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN[C@H]1CCCSC1	715786950	BYHZFTWEOLPSPU-JTQLQIEISA-N	320.227	3.279	10	20	DGCD	
C[C@H](CCNC(=O)c1cc(O)cs1)N(C)Cc1ccccc1	746693128	BPJPYJWYFSFJIT-CYBMUJFWSA-N	318.442	3.094	10	20	DGCD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCc2ccccc2O)o1	748458801	CLBLTRFJORUFKX-RISCZKNCSA-N	300.358	3.108	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c(O)c1	752923782	GSQOIAUURAILSG-NEPJUHHUSA-N	318.421	3.273	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCc2ccccc2F)c1	756356391	BERUJUSQDMEBNN-GFCCVEGCSA-N	317.360	3.211	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc2ccccc2s1	758433280	GXROUZDWTSUCOI-PTNGSMBKSA-N	320.373	3.363	10	20	DGCD	
Cc1nn(C)cc1[C@@H]1CCCN1Cc1c(O)ccc2ccncc12	759155712	ACJHEYNRFANYLL-SFHVURJKSA-N	322.412	3.319	10	20	DGCD	
COC(=O)CN(Cc1cc(-c2ccccc2)ccc1O)C1CC1	770281045	NOWQWJMFGHXPJG-UHFFFAOYSA-N	311.381	3.197	10	20	DGCD	
CCC[C@@]1(C(=O)OCC)CCCN1Cc1cccc(C)c1O	775186031	ZIALXWDARBZLNQ-SFHVURJKSA-N	305.418	3.398	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccnc(Cl)c1	778280265	NBEIWBMOSJRZDZ-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
COc1ccc2[nH]cc(CCNCc3cc(F)ccc3O)c2c1	779078322	MDQVQLYBTNTQPD-UHFFFAOYSA-N	314.360	3.354	10	20	DGCD	
CCc1cc(=O)c2cc(NC(=O)c3cc(O)cs3)ccc2[nH]1	781432461	KMRMKXZWEJLSTE-UHFFFAOYSA-N	314.366	3.110	10	20	DGCD	
O=C(Nc1cc(C2CCCCC2)[nH]n1)c1cccc(O)c1O	790744956	GJSVBQOHBGSRRI-UHFFFAOYSA-N	301.346	3.121	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H]1Cc2ccccc2O1	790948618	CCAHGVRWYYXLCR-NSHDSACASA-N	307.752	3.278	10	20	DGCD	
Cc1csc(CCNCc2c(O)ccc(Cl)c2F)n1	790950619	QEJGXMAMMVWRDB-UHFFFAOYSA-N	300.786	3.282	10	20	DGCD	
COC[C@@H](CO)NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	793324861	NDALEONZSHVRSE-OAHLLOKOSA-N	323.477	3.084	10	20	DGCD	
COc1ccc(N(C)Cc2cn(C(C)C)nc2C)cc1OC	798952016	QNSKNVPNNQSDQX-UHFFFAOYSA-N	303.406	3.426	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC2(CC(=O)OC)CC2)cc1	799293740	PNTYDFMIVXAJDR-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@@H]2CCN(C3CC3)C2)c1O	808675593	MNJPYPMPXMDGQZ-OLZOCXBDSA-N	308.853	3.489	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)C[C@@H](C)[S@]1=O	809700619	KRHNUBSMTWAHBF-YBOAYWMSSA-N	322.518	3.264	10	20	DGCD	
CC(C)[C@H](NCc1ccc(N(C)C)c(F)c1)C1(CO)CCC1	814169600	JWKNBEPTJGAMRY-KRWDZBQOSA-N	308.441	3.169	10	20	DGCD	
Oc1c(CN2CCCN(CC(F)F)CC2)ccc2ccccc12	816611362	NZMOHSHEIVLHFK-UHFFFAOYSA-N	320.383	3.318	10	20	DGCD	
Oc1cc(Br)ccc1CN[C@@H]1CCCc2c[nH]nc21	825365113	FSHLPLKNDPKQMH-GFCCVEGCSA-N	322.206	3.045	10	20	DGCD	
CCc1cccc(CN[C@@H](CO)c2ccc(F)cc2F)c1O	827716407	ZHXVVHGBPOMPCN-INIZCTEOSA-N	307.340	3.056	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc(C(=O)O)c(F)c1	830830646	KWAXZLATPLJQMU-UHFFFAOYSA-N	316.376	3.222	10	20	DGCD	
C[C@H]1CCCC[C@H]1OCCN(C)c1ccc(OCC(=O)O)cc1	833612308	NUNXDJUEHVHJME-WMLDXEAASA-N	321.417	3.182	10	20	DGCD	
CCCCO[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839920039	ZXYDQBRBUAEGDT-JKSUJKDBSA-N	320.477	3.313	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@@H]1C	840480553	WXNSHCZFFFMUNR-CABCVRRESA-N	303.450	3.186	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)C[C@H](O)c1ccco1	840937665	VSTACABXLUCFPK-YOEHRIQHSA-N	302.418	3.256	10	20	DGCD	
CC[C@@](C)(NC(=O)Nc1ccc(N)cc1)c1nc(C)cs1	841298638	CJNAACJYOACAQO-OAHLLOKOSA-N	304.419	3.481	10	20	DGCD	
CCN(C)[C@H](c1ccccc1)c1nc(Cc2ccc(N)cc2)no1	843161469	VEDPSLCTQSJDTQ-GOSISDBHSA-N	322.412	3.284	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccccc2N(C)C)c1O	846154372	LHBOPAHBQDCAIJ-CYBMUJFWSA-N	300.402	3.318	10	20	DGCD	
CC[C@@H](NC[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C)cc1O	850557943	ORZLOYSSXWENSJ-GOEBONIOSA-N	318.461	3.388	10	20	DGCD	
CN=[S@](C)(=O)c1cccc(NCc2cc(F)ccc2O)c1	864014919	ZZJZYFIBUGFYAP-OAQYLSRUSA-N	308.378	3.230	10	20	DGCD	
CO[C@]1(C(F)(F)F)CCCN(Cc2ccc(C)cc2O)C1	877460747	UKQQVOHCBRQPHU-CQSZACIVSA-N	303.324	3.244	10	20	DGCD	
CCn1cc(CN(Cc2cc(F)cc(F)c2O)C(C)C)cn1	895139258	ACLZSXIVLLBNER-UHFFFAOYSA-N	309.360	3.297	10	20	DGCD	
CN=[S@](C)(=O)c1cccc(NCc2c(C)cccc2O)c1	895731946	SZGYWWDEACQCGE-OAQYLSRUSA-N	304.415	3.399	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CCCF)c1	925558147	NPZPCUFECRELAX-UHFFFAOYSA-N	316.376	3.338	10	20	DGCD	
O=C(CCc1cccc(O)c1)NCCCSc1nccs1	1123658866	YGFPWWZLYVCBLM-UHFFFAOYSA-N	322.455	3.080	10	20	DGCD	
COc1ccc2cc(C(=O)NCc3ccc(O)c(O)c3)ccc2c1	1319902426	AVTKPTKKQMOVEI-UHFFFAOYSA-N	323.348	3.190	10	20	DGCD	
Cc1cc(-c2nnc(C3=COCCO3)o2)c(C)n1-c1ccccc1	1322827558	HZLIBJXFKFKAHO-UHFFFAOYSA-N	323.352	3.489	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1cc(N(C)C)ccn1	1331995173	BNRCRKQYIVRKHD-XJKSGUPXSA-N	311.429	3.500	10	20	DGCD	
C[C@@H](NC(=O)CCNc1ccccc1)c1ccc(N(C)C)cc1	1342932401	ROZCKBLKDMGVBB-OAHLLOKOSA-N	311.429	3.432	10	20	DGCD	
CC1=CCCN(c2nnc(-c3sccc3O)n2CC2CC2)C1	1348190916	GHJBMNYWTOWDRS-UHFFFAOYSA-N	316.430	3.279	10	20	DGCD	
CC(C)[C@@H]1N(C(=O)NCc2ccc(N)cc2)CC12CCCC2	1353538735	ABJMKPLLDRQZQZ-INIZCTEOSA-N	301.434	3.379	10	20	DGCD	
CC[C@@H](C)N(CC(=O)O)Cc1cc(OC)cc(C(C)(C)C)c1O	1594979506	UAXJVMHKJSMUHC-GFCCVEGCSA-N	323.433	3.383	10	20	DGCD	
Cc1ccoc1CN(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1600608385	YUBGCVGVCRIPRZ-GQCTYLIASA-N	316.313	3.230	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(Cl)ccc1O	6091806	BMJMDUJTMNZSSA-QHHAFSJGSA-N	305.717	3.109	10	20	DGCD	
CCC[C@H]1CN(Cc2cc(Br)ccc2O)CCO1	93508409	GJDZUQVPRQACDP-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC3(CC2)OCCO3)cc1F	126088534	ODEBJNDODMUXOM-UHFFFAOYSA-N	322.424	3.011	10	20	DGCD	
CCCNC(=O)CCN[C@@H](C)c1ccc(N2CCCCC2)cc1	129874470	KOJZDKJTFGRSJL-INIZCTEOSA-N	317.477	3.244	10	20	DGCD	
Cc1cccc(Cl)c1NC(=O)NCCc1ccc(O)c(O)c1	132670166	FOCGRUNLOIMMEC-UHFFFAOYSA-N	320.776	3.424	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)C1CCOCC1	163638923	DWTAMKSKLDYIHX-OAHLLOKOSA-N	320.502	3.145	10	20	DGCD	
CC(C)CN(C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C	172653786	YDTSPXANTWMPDH-UHFFFAOYSA-N	309.429	3.468	10	20	DGCD	
COc1ccc(O)c(CN2CCO[C@@H](c3cccc(F)c3)C2)c1	180024750	RQBOTDFZFJCUFD-GOSISDBHSA-N	317.360	3.113	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2ccc(C)cc2)c1	182317452	KDCDXFOPWCFHGU-CQSZACIVSA-N	301.386	3.439	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1	188759685	QZJCFQIRDUUCDN-MDZDMXLPSA-N	315.442	3.189	10	20	DGCD	
C[C@@H](NCc1cccc(-n2cncn2)c1)c1ccc(N(C)C)cc1	268853134	CEVDCHZHGTXHHF-OAHLLOKOSA-N	321.428	3.184	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2CCCOC2)c(C(F)(F)F)c1	280088140	YXFCQIKWCPXBOB-LBPRGKRZSA-N	316.367	3.288	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1nccs1	283652168	DHYOHNSYPRWQBK-UHFFFAOYSA-N	319.430	3.361	10	20	DGCD	
COCCc1ccnc(N[C@H](C)c2cc(OC)ccc2O)c1	286955458	BSAXWCBUQJKCGI-GFCCVEGCSA-N	302.374	3.158	10	20	DGCD	
CCN(CC)c1ccc(CNCCc2nnc(C)s2)cc1	289766341	IOSFNUHXHRUKPJ-UHFFFAOYSA-N	304.463	3.025	10	20	DGCD	
CC[C@H](COCC(F)(F)F)N[C@@H](C)c1cc(OC)ccc1O	295135212	PDGYTWSLFGMLRD-WDEREUQCSA-N	321.339	3.409	10	20	DGCD	
Cc1nsc(NCc2ccc(N3CCSCC3)cc2)n1	301357520	MRRCJMWLTVOFMQ-UHFFFAOYSA-N	306.460	3.012	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(-n3ccnc3)nc2)c(O)c1	363861504	WUYTXDXSEVWMEU-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
C[C@H]1Oc2ccccc2[C@H]1NCc1ccc(N2CCOCC2)cc1	367969369	ZARAQYHPQBJPDT-QRWLVFNGSA-N	324.424	3.135	10	20	DGCD	
CCOC1CCN(Cc2c(O)cccc2Br)CC1	707147406	ZUKWBNGOIYEVJZ-UHFFFAOYSA-N	314.223	3.156	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2sccc2C2CC2)c1	734016200	GSAYSOULNHIOAD-UHFFFAOYSA-N	303.383	3.270	10	20	DGCD	
CCOc1cccc(NC(=S)NCc2ncccc2C)c1	742998933	UUTKJLIRNYLWIN-UHFFFAOYSA-N	301.415	3.275	10	20	DGCD	
COc1ccc(Cl)c(NC(=S)NCc2cccn2C)c1	743062185	UMYDEEWNIBDHKM-UHFFFAOYSA-N	309.822	3.174	10	20	DGCD	
CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCC(F)(F)CC1	752837206	XMBQWADOPDSNCP-HWKANZROSA-N	311.328	3.195	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)C1(C)CC1	752976760	LXDPSPZYUBWYOE-CQSZACIVSA-N	303.450	3.391	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC(C)(C)CC	753807685	XLOCXJUEVQVIQJ-HNNXBMFYSA-N	319.493	3.268	10	20	DGCD	
CSc1cc(O)ccc1NC(=O)c1ccc(C)c(O)c1O	754732853	TUZNBAJCULARPY-UHFFFAOYSA-N	305.355	3.086	10	20	DGCD	
C[C@H](NCCc1ccccc1F)c1cc([N+](=O)[O-])ccc1O	756358097	QZAXJZJFPRRFOA-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
COC[C@H](Cc1ccccc1)N[C@H](C)c1cc(OC)ccc1O	756634595	AZUIFRGJPKRFOL-ZBFHGGJFSA-N	315.413	3.309	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCCc3c[nH]nc32)c2c(O)ccc(F)c21	756761910	NBMPYOQBMSOOOJ-WQAKAFBOSA-N	301.365	3.470	10	20	DGCD	
Cc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	766491190	NGYIWAXXVXLOCO-ZROIWOOFSA-N	312.756	3.110	10	20	DGCD	
CC(C)[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1	768320259	RRSDGSOVWOQJKW-QGZVFWFLSA-N	306.425	3.283	10	20	DGCD	
CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(N3CCCC3)cc2)C1(C)C	776155167	ZUGOQVRPWGAAAJ-BMGDILEWSA-N	302.462	3.436	10	20	DGCD	
CN(C)c1ccc(CNCCC2CC(O)C2)c(C(F)(F)F)c1	793187586	UUNJCJRHKYRBGH-UHFFFAOYSA-N	316.367	3.022	10	20	DGCD	
CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(C)cc1O	794802338	DZWTXDVAJCKNRY-JSGCOSHPSA-N	316.367	3.378	10	20	DGCD	
CC[C@H](NCC1([S@@](C)=O)CCC1)c1cc(Cl)ccc1O	798005569	WVUGTWNRQDMJPA-RNODOKPDSA-N	315.866	3.388	10	20	DGCD	
CC(=O)c1cc(NC(=O)NCc2ccccc2O)ccc1F	806570825	LVVCMNFMSXJUKX-UHFFFAOYSA-N	302.305	3.056	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCNC(=O)c2ccco2)c1O	808673801	UMSLWJOIEUTADU-NSHDSACASA-N	322.792	3.028	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CCn3ccnc3C2)c1O	808715531	VLILYIHOQWRABP-DGCLKSJQSA-N	305.809	3.216	10	20	DGCD	
CCN(CC)c1ccc(CNC(=S)NC2CCC2)cc1F	814198511	PHSSNYKQAUCRCV-UHFFFAOYSA-N	309.454	3.189	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)c3cncs3)C2)cc1	818344131	JNHTXNBUMANEDQ-KBPBESRZSA-N	317.458	3.329	10	20	DGCD	
C[C@@H]1CC2(CCNCC2)CN1Cc1c(O)ccc(Cl)c1F	818431606	PUJDTCPNTWZPIA-LLVKDONJSA-N	312.816	3.149	10	20	DGCD	
CC[C@H](C)[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819586332	NNUNKWPLLSIKLY-JYJNAYRXSA-N	318.461	3.320	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)[nH]2)cc1	822226649	BQHNEIHQIXMIID-UHFFFAOYSA-N	311.307	3.030	10	20	DGCD	
Cc1cc(O)c(CNCC2(C(=O)N(C)C)CCCC2)cc1Cl	825267875	YGXHPBKQNPMJBC-UHFFFAOYSA-N	324.852	3.092	10	20	DGCD	
CCOc1ccc(CN2CCOC(C3CC3)(C3CC3)C2)c(O)c1	827537835	IWAUSHQZYDUMMN-UHFFFAOYSA-N	317.429	3.182	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccccc1O	827936927	GVJBVTJWEPYDJL-DUXSXAKTSA-N	307.393	3.474	10	20	DGCD	
CN(CC[S@@](C)=O)c1ccc(OCc2ccccc2)cc1	829092753	NFTOFECWPCEKRG-OAQYLSRUSA-N	303.427	3.080	10	20	DGCD	
O=C1OCCN1Cc1cccc(N[C@H]2CCc3cccc(O)c32)c1	834709146	CLEUGBSSBSFCQB-INIZCTEOSA-N	324.380	3.444	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)CNC(=O)OC(C)(C)C	840939525	YYTYEDBSYMBMQJ-CQSZACIVSA-N	321.465	3.064	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cnc3ccccc3c2)cc1	841044926	FYHJJOXTZDIMAD-LJQANCHMSA-N	320.440	3.090	10	20	DGCD	
C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](c2ccsc2)O1	841300910	WORJLHXRMQEWGS-IAQYHMDHSA-N	317.414	3.324	10	20	DGCD	
Nc1ccc(NC(=O)NCCCOCCc2ccccc2)cc1	841301111	ATLDRUWDEKEJAM-UHFFFAOYSA-N	313.401	3.040	10	20	DGCD	
COc1cc(CN2CCCc3cc(CN)ccc32)cc(OC)c1	843057777	UTPQYWCIBONYDZ-UHFFFAOYSA-N	312.413	3.115	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(CN)cc2)c2c(O)ccc(F)c21	843344079	PPXZWBMDYRJPLI-ABAIWWIYSA-N	300.377	3.328	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC1(C2CCC2)CC1	845004299	YPCVAQOQRAXSAI-UHFFFAOYSA-N	311.429	3.195	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc3c(c2)ncn3C)c1	845970611	AHRYLDLCBSFTFY-LBPRGKRZSA-N	311.385	3.138	10	20	DGCD	
COc1ccccc1OCCN[C@H](C)c1cccc(OC)c1O	846139013	ZMWZUFLZZYJMMO-CYBMUJFWSA-N	317.385	3.139	10	20	DGCD	
CCc1cccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)c1O	848897366	PQZWYRIHVBKOLY-KRWDZBQOSA-N	324.424	3.129	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](O)CNCc1c(O)ccc(Cl)c1F	850412447	XYYUFJZNHHOSAB-MEDUHNTESA-N	323.795	3.439	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cc(C)nn2C(C)(C)C)c1	860482378	FLMFKPZODQHWPO-UHFFFAOYSA-N	316.405	3.282	10	20	DGCD	
COc1ccc(C(=O)N(C)C)cc1NCc1ccc(C)cc1O	876849530	SUINPWZXRWWPQP-UHFFFAOYSA-N	314.385	3.023	10	20	DGCD	
COc1ccc2c(c1)[C@H](C(=O)N(C)c1ccc(N)cc1)CCC2	877074398	IXVWIKLHTZTJQO-QGZVFWFLSA-N	310.397	3.360	10	20	DGCD	
Cc1ccc(CN[C@H](C)[C@H]2CCCN(C3CCC3)C2)c(O)c1	877190150	XIOSAQSYPRZERD-WBVHZDCISA-N	302.462	3.443	10	20	DGCD	
COc1ccc2c(c1)OCC[C@H]2NCc1cc(F)cc(F)c1O	883018677	LMPYUHSXKYFCKY-OAHLLOKOSA-N	321.323	3.292	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H]2c2cccn2C)c1O	893909476	OONXAKUATYSMBV-INIZCTEOSA-N	300.402	3.385	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCO[C@@H](c2ccccc2F)C1	893995457	LATCSNRWJSUFMW-MRXNPFEDSA-N	323.314	3.383	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1	894793796	IWQQSMGBEFODSE-GOEBONIOSA-N	309.356	3.204	10	20	DGCD	
CCOc1ccc(O)c(CNCc2ccc3c(c2)C[C@H](C)O3)c1	922703433	VVUBCMXNOQMZKA-ZDUSSCGKSA-N	313.397	3.404	10	20	DGCD	
COc1cccc(N(CC(C)C)C(=O)/C=C/c2cn(C)cn2)c1	931106217	AWMFTYBIUXBJMI-CMDGGOBGSA-N	313.401	3.131	10	20	DGCD	
CC(=O)N1CCC(CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)CC1	1116565002	DCHGTPIAVSUVIQ-XJKSGUPXSA-N	316.445	3.097	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H]3OCCC[C@H]3C1)CCCC2	1319687768	RVROMPLYGRKNNI-LPHOPBHVSA-N	301.430	3.272	10	20	DGCD	
CC(C)N(Cc1ccc(N)cc1)Cc1nc(O)c2ccccc2n1	1352788519	PKQJEQYQLDPMBN-UHFFFAOYSA-N	322.412	3.328	10	20	DGCD	
COc1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)c(O)c1OC	1355321780	SOTKNTCHENWCIH-BDJLRTHQSA-N	315.369	3.021	10	20	DGCD	
CCN(Cc1cc(Cl)cc(C(C)=O)c1O)C[C@@H]1CCCO1	48965243	NMNAJLJBDWHLQU-AWEZNQCLSA-N	311.809	3.249	10	20	DGCD	
C[C@H]1CC[C@H](CCC(=O)NCc2c(O)ccc3c2CCCC3)O1	75159605	QCICMDZXTBELEE-DZGCQCFKSA-N	317.429	3.235	10	20	DGCD	
CC(=O)c1ccc(N(C)Cc2ccccc2O)c([N+](=O)[O-])c1	89635383	IYMYMDQRNVEKAY-UHFFFAOYSA-N	300.314	3.139	10	20	DGCD	
CCOc1ccc(O)c(CN(CCCO)Cc2ccccc2)c1	93102200	WYHWTCGRNYUEIY-UHFFFAOYSA-N	315.413	3.176	10	20	DGCD	
CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	128031352	FSVJNOPSABMAFA-MRXNPFEDSA-N	313.445	3.394	10	20	DGCD	
O=C(NCCCSc1nccs1)NCC1(C2CC2)CC1	130866642	ZUALSCHDCRYSFJ-UHFFFAOYSA-N	311.476	3.115	10	20	DGCD	
C[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1	130884795	VGRSQVZFTLJCOK-ZDUSSCGKSA-N	312.417	3.094	10	20	DGCD	
Clc1cccc(NCc2ccc(N3CCOCC3)cc2)n1	149783567	MXAXGFYNSNBQGO-UHFFFAOYSA-N	303.793	3.184	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1	152520889	MICSEMYFWPJJEC-ZIAGYGMSSA-N	316.351	3.009	10	20	DGCD	
COc1ccc(O)c(CN2CCO[C@H](c3ccccc3F)C2)c1	180024361	COPBMBARORTQFO-SFHVURJKSA-N	317.360	3.113	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1cc2cc(F)ccc2s1	182537028	GKQLRFNTPDWCIW-UHFFFAOYSA-N	317.341	3.382	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(N(C)C)cc2)c1	192936344	JHMDHLWZJXDQIO-ZDUSSCGKSA-N	300.402	3.318	10	20	DGCD	
CCC(CC)[C@@H](O)CNCc1cccc(Br)c1O	225815640	VMOUSRAFFWSITC-ZDUSSCGKSA-N	316.239	3.041	10	20	DGCD	
CC(C)N(C)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1F	236690795	BUZNMUKGBVSKKI-UHFFFAOYSA-N	315.392	3.434	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)O1	268328170	MNEJWQSOZTVIGS-ZWKOTPCHSA-N	316.445	3.201	10	20	DGCD	
COCCc1nc(CSc2ncc(C(C)(C)C)s2)no1	289283083	AADLIGUQRBFDDD-UHFFFAOYSA-N	313.448	3.305	10	20	DGCD	
Cc1noc(-c2cccnc2NCc2ccc(N(C)C)cc2)n1	301343321	GWSANPGMBNCPTG-UHFFFAOYSA-N	309.373	3.118	10	20	DGCD	
COc1cc(Cl)cc(CNCc2ccc(C)c(C)n2)c1O	313913486	JDPLNVSRTBTRDN-UHFFFAOYSA-N	306.793	3.356	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1O	377834124	JEKZWTZMFQFTOX-JKSUJKDBSA-N	319.445	3.430	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(Cl)cc1F	588529001	AQSPAMDHRVOYHH-KXFIGUGUSA-N	321.735	3.220	10	20	DGCD	
C[C@@H]1O[C@H](C)C[C@H]1CNCc1ccc(Br)cc1O	686514700	GZMZHENHHKLJQD-SCVCMEIPSA-N	314.223	3.058	10	20	DGCD	
Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C(F)(F)F)C2)cc1C	744442044	DDQKJZDCSDZIMI-SMDDNHRTSA-N	303.324	3.161	10	20	DGCD	
CCCN(Cc1cc(Cl)cc(C(C)=O)c1O)CC(C)(C)O	750977593	BHTGBHZLVZVUJG-UHFFFAOYSA-N	313.825	3.231	10	20	DGCD	
CC[C@@H](O)CCN[C@H](C)c1cc(Br)c(F)cc1O	756657659	FAECDOMEWUBJJE-RKDXNWHRSA-N	320.202	3.105	10	20	DGCD	
COc1ccc(C)cc1COC(=O)/C=C/c1ccc(O)c(O)c1	759591263	GKNKBRDXZVFWCC-VMPITWQZSA-N	314.337	3.171	10	20	DGCD	
COc1ccc([C@@H](CCO)NCc2ccc(OC)c(C)c2)cc1	763496001	LVOFAGIDZAIPNX-GOSISDBHSA-N	315.413	3.226	10	20	DGCD	
COc1ccc(CNC(=S)Nc2cc(C)ccc2C)nc1	766512588	NSJKLAKCEFQQDS-UHFFFAOYSA-N	301.415	3.194	10	20	DGCD	
Oc1cc2c(cc1CN(Cc1cccs1)C1CC1)[C@H](O)CO2	768441232	IMLUWCGVJIRMLC-MRXNPFEDSA-N	317.410	3.044	10	20	DGCD	
CCOc1ccc(CNCc2ccc(C(C)(C)O)cc2)c(O)c1	775328328	LBBNOXFWDQCLKB-UHFFFAOYSA-N	315.413	3.308	10	20	DGCD	
C[C@@H](NCCC(C)(C)O)c1cc(Br)c(F)cc1O	775586601	TVTFFKUUEVPRTP-MRVPVSSYSA-N	320.202	3.105	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc(Cl)c2O)cc1	775645551	BEXHRYNNLYASTN-UHFFFAOYSA-N	304.777	3.042	10	20	DGCD	
O=C(NCCc1ccc2ccccc2c1)c1cccc(O)c1O	776333175	MNQGOMUEEXJTFF-UHFFFAOYSA-N	307.349	3.224	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccccc2O)nn1[C@@H](C)C1CC1	777414958	QOEDFRQSBQSGNX-ZDUSSCGKSA-N	313.401	3.140	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCCC(C)(C)C2)c1	785873626	UYFYBDDIOYSQLA-CYBMUJFWSA-N	306.406	3.169	10	20	DGCD	
COC(=O)CN(CCCCCF)Cc1cc(Cl)ccc1O	792869260	BAVKXCUQOUDVBF-UHFFFAOYSA-N	317.788	3.160	10	20	DGCD	
CC(C)[C@@H](CO)CN[C@H](C)c1ccc(Br)cc1O	806169796	RDXQIXHPSAMCQN-GHMZBOCLSA-N	316.239	3.070	10	20	DGCD	
CCOC1CC(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	806422970	JIYCZYPSSCWPNE-UHFFFAOYSA-N	316.445	3.059	10	20	DGCD	
CCOCCCC(=O)NCc1cc(Cl)cc(Cl)c1O	807837654	ZLNWTSKVDQFFRV-UHFFFAOYSA-N	306.189	3.132	10	20	DGCD	
Cc1nnc2ccc(NCc3cc(Cl)cc(Cl)c3O)nn12	808090127	PHBUMYFIAJLXGX-UHFFFAOYSA-N	324.171	3.057	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(Cl)cc1	808095680	NWJIVDWNFNHHIM-UHFFFAOYSA-N	310.777	3.461	10	20	DGCD	
Cc1cccc(CN(CCN(C)C)Cc2cccc(F)c2)c1O	809737695	LFZGKELHPMQMOO-UHFFFAOYSA-N	316.420	3.404	10	20	DGCD	
CO[C@H](C)[C@@H](C)N[C@@H](C)c1cc(Br)c(F)cc1O	810257055	GQQRLOJFGBESKX-HRDYMLBCSA-N	320.202	3.368	10	20	DGCD	
CCN1CCC[C@H](CNCc2cc(Cl)c(F)cc2O)C1	816543519	DMYALFKQYSXFOH-LLVKDONJSA-N	300.805	3.006	10	20	DGCD	
COc1ccc(NCc2cc(Cl)c(F)cc2O)c(OC)n1	816557925	GVUBQOHFVRKCOK-UHFFFAOYSA-N	312.728	3.209	10	20	DGCD	
CC(C)N1CC[C@@H](CNCc2cc(Cl)c(F)cc2O)C1	816610374	IMOVWLNFWMDZOU-NSHDSACASA-N	300.805	3.005	10	20	DGCD	
CCOc1ccc(N(C)C(=O)c2ccccc2CCNC)cc1	817950096	RUHRXOCMVHEDLT-UHFFFAOYSA-N	312.413	3.124	10	20	DGCD	
Cc1cc(C(=O)O[C@@H](C)CC(C)(C)O)c(C)n1-c1ccccn1	821592174	WSFIYWREXGZCTR-ZDUSSCGKSA-N	316.401	3.195	10	20	DGCD	
CC[C@@H]1C[C@H](NC2CCN(c3ccc(OC)cc3)CC2)CCO1	823757191	IPGZCAOENTUNEK-SJLPKXTDSA-N	318.461	3.211	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC23CCSCC3)c1	825736915	NCEFORWLWJFYQC-SMDDNHRTSA-N	321.442	3.111	10	20	DGCD	
O=C(CCCc1cccnc1)NCCCSc1nccs1	827474974	QNKHPJCSUQBXOO-UHFFFAOYSA-N	321.471	3.159	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc(C(C)=O)c(F)c1	830395234	WGMIFIVTEHOWFE-UHFFFAOYSA-N	306.289	3.461	10	20	DGCD	
COc1ccc(OCCCN[C@H]2CCc3cccc(O)c32)cc1	834530303	FBOQVZKTEATPKE-KRWDZBQOSA-N	313.397	3.447	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc2cccnc2[nH]1	839691992	METGWWVFQAMHJL-UHFFFAOYSA-N	321.380	3.077	10	20	DGCD	
COc1ccc(C[C@H](C)NCc2ccc(N(C)C)cc2C)cn1	840723016	MVJUPBGPPCVRHO-HNNXBMFYSA-N	313.445	3.185	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=S)NC(C)(C)C	840870660	TWBGYACUFQSNCV-CYBMUJFWSA-N	307.507	3.255	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)oc(=O)n2C	840935726	BPAJKOJNMQFIPI-UHFFFAOYSA-N	311.385	3.118	10	20	DGCD	
COC(=O)[C@@]1(C)CCCN(Cc2ccc3ccccc3c2O)C1	840975374	GOHHAHOYLOJITN-IBGZPJMESA-N	313.397	3.321	10	20	DGCD	
NCC[C@@H](NCc1ccc(N2CCCCC2)cc1)C(F)(F)F	841090982	SWHHYINGMWGRLU-OAHLLOKOSA-N	315.383	3.046	10	20	DGCD	
Cc1ccc([C@H](C)NCC(C)(C)C2(O)CCOCC2)c(O)c1C	841762174	NDAJKZTWSZXAQT-HNNXBMFYSA-N	321.461	3.227	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](CCO)c2ccccc2F)c1	842763157	LWIHTPXEORFDOV-QGZVFWFLSA-N	319.376	3.143	10	20	DGCD	
COc1cccc([C@@H](C)NCCOc2cccc(C)c2)c1O	846147622	WNKYDMYXMJVCDR-CQSZACIVSA-N	301.386	3.439	10	20	DGCD	
Cc1cc(C(=O)N2CCC[C@@H](F)C2)c(C)n1-c1ccccn1	846631357	RZBKAPRNZXMTQG-CQSZACIVSA-N	301.365	3.063	10	20	DGCD	
CCc1cccc(CN2CCC(N(C)CC(F)F)CC2)c1O	848889573	MMOHHWJBRRTQPY-UHFFFAOYSA-N	312.404	3.116	10	20	DGCD	
COc1cc(CN[C@@H]2CCN(C3CC3)C2)c(O)c(C(C)(C)C)c1	850118805	JFQQBOZESCSZFF-CQSZACIVSA-N	318.461	3.025	10	20	DGCD	
Cc1cnc(CCNCc2cc(F)c(N(C)C)cc2F)c(C)c1	858186147	RQFQQYDXRBNVQY-UHFFFAOYSA-N	319.399	3.375	10	20	DGCD	
CC[C@H](C)[C@@H](NC(=O)NCc1cc(C)ccc1O)C(F)(F)F	861021520	DJUKOKLAVVZGRK-GXFFZTMASA-N	318.339	3.477	10	20	DGCD	
Oc1ccc2c(c1CNc1cc(Cl)nnc1O)CCCC2	872468605	VUVGMZLQLZCAJT-UHFFFAOYSA-N	305.765	3.032	10	20	DGCD	
CC(C)N(Cc1ccc(N2CCC(O)CC2)cc1)CC1CC1	876605890	QEXARMJPJOXASX-UHFFFAOYSA-N	302.462	3.268	10	20	DGCD	
Cc1cccc(O)c1CN[C@H](C)CCCNC(=O)OC(C)(C)C	877557919	YZDNYORRPQMIEA-CQSZACIVSA-N	322.449	3.484	10	20	DGCD	
CC(C)c1nn(C)cc1NC(=O)N[C@H](C)c1ccccc1O	879458266	LQVYNCHUPQVFKJ-LLVKDONJSA-N	302.378	3.132	10	20	DGCD	
COc1ccc(CN2CC3(CC3)c3ccccc32)c(O)c1OC	893461156	LRNFXFOWFFRWTE-UHFFFAOYSA-N	311.381	3.461	10	20	DGCD	
Nc1ccc(CN2CCCN(CCCc3ccccc3)CC2)cc1	1120370865	HXKYXYVFFGEVII-UHFFFAOYSA-N	323.484	3.409	10	20	DGCD	
CN(CC1(c2ccccc2)CC1)C(=O)NCc1ccc(N)cc1	1120591612	CTNJYSHADVJBLZ-UHFFFAOYSA-N	309.413	3.142	10	20	DGCD	
C[C@@H](NC(=O)c1c(F)ccnc1Cl)c1ccc(N(C)C)cc1	1123789948	NQJVDADJLMUVDU-SNVBAGLBSA-N	321.783	3.431	10	20	DGCD	
O=C1NCCc2cc(NCc3ccc(N4CCCC4)cc3)ccc21	1333144919	NGRRIKATKLAAEI-UHFFFAOYSA-N	321.424	3.185	10	20	DGCD	
CC[C@H]1C[C@H](CC(=O)Nc2c(Cl)ccc3nonc23)CCO1	1346941741	YAWVNLYWUKKEQD-ZJUUUORDSA-N	323.780	3.410	10	20	DGCD	
C[C@H]1CN(Cc2cc(F)c(F)cc2O)c2cc(F)ccc2CN1	1576807879	XCDYKJZLDQCRFY-JTQLQIEISA-N	322.330	3.308	10	20	DGCD	
Cc1ccc(NC(=O)CSc2ncc(C(=O)O)s2)cc1C	1600449078	ISUCAZBPBLIWPZ-UHFFFAOYSA-N	322.411	3.189	10	20	DGCD	
Cc1ccncc1[C@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1610537070	WTLFYBHOLYARPJ-NEPJUHHUSA-N	300.358	3.206	10	20	DGCD	
CN(Cc1cc2c(cc1O)OCO2)Cc1ccccc1Cl	16352955	IZRUCRZWYWDTPT-UHFFFAOYSA-N	305.761	3.406	10	20	DGCD	
Cc1ccc(SCC(=O)NCc2ccc(N(C)C)cc2)cc1	18221274	XUWGQEVEQLHRSW-UHFFFAOYSA-N	314.454	3.470	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	37042560	PXKATQDXNVJWIF-DGCLKSJQSA-N	300.324	3.049	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3ccn(C)n3)c2C)c1	41998812	ZIZQSZGJDJSENF-UHFFFAOYSA-N	308.385	3.388	10	20	DGCD	
COCc1ccccc1NC(=O)NCc1ccc(N(C)C)cc1	46032933	NCBNREFMEQOPNO-UHFFFAOYSA-N	313.401	3.221	10	20	DGCD	
Cc1cc(NC(=O)c2sccc2-n2c(C)ccc2C)n(C)n1	56081204	YWPDBWBQAZLHLA-UHFFFAOYSA-N	314.414	3.450	10	20	DGCD	
CCOc1cccc(CNC[C@]2(N(C)C)CCC[C@H](C)C2)c1O	58066193	LTAJYMVNPMWJKJ-KXBFYZLASA-N	320.477	3.391	10	20	DGCD	
CCC[C@@H](C)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84814958	BWNOUVKJPKOZKR-CQSZACIVSA-N	322.424	3.309	10	20	DGCD	
Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)cc1C	111235485	NFSIVJPWHGTUJW-HNNXBMFYSA-N	312.413	3.468	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1Cc2ccccc2C1	115854547	UGQKNKIBZIUJAJ-UHFFFAOYSA-N	309.413	3.286	10	20	DGCD	
CC[C@@H](NC[C@@H](O)c1ccc(OC)cc1)c1ccccc1O	121091813	GVVDJHLHXZTNDB-SJLPKXTDSA-N	301.386	3.175	10	20	DGCD	
Oc1ccccc1CNCCOc1ncc(Cl)cc1Cl	134475428	VOVYXVDSGXOLMS-UHFFFAOYSA-N	313.184	3.263	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H]3CCCS3)CC2)cc1	168684330	FPOFWLJWPXUNKP-QGZVFWFLSA-N	306.475	3.149	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)C1CC1	180797380	OWBAEHYBEUXPJW-VDZSZVPASA-N	323.392	3.249	10	20	DGCD	
C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	183513728	HQESWEFCHRXNRH-KGLIPLIRSA-N	320.433	3.442	10	20	DGCD	
COc1cccc2c1OC[C@@H](N[C@@H](C)c1cc(F)ccc1O)C2	185334936	LRPKKCKUJSHTPG-FZMZJTMJSA-N	317.360	3.194	10	20	DGCD	
Cc1ccc(C[C@H](CO)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	191587788	HEDKTUSMSQFQRF-QFBILLFUSA-N	312.457	3.315	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ncc(C(C)C)s2)c1O	192387587	JRFGGOFKRDFWBL-UHFFFAOYSA-N	321.402	3.302	10	20	DGCD	
Cc1cc(C(=O)NCCCCN)c(C)n1-c1ccc(Cl)cc1	237587872	VLYAHZPKTJZGAN-UHFFFAOYSA-N	319.836	3.216	10	20	DGCD	
Cc1nc(CC(C)C)c(C(=O)NCc2ccccc2O)s1	268052009	PNCIGQBGOQDQSI-UHFFFAOYSA-N	304.415	3.286	10	20	DGCD	
Cc1cccc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1O	271990420	RQPACMKTEZLDSJ-HNNXBMFYSA-N	312.417	3.076	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@]2(C)CCCOC2)C2CC2)cc1	272656826	ROMMDWWJTGVESG-LJQANCHMSA-N	316.445	3.060	10	20	DGCD	
CCOCc1nnc(NCc2c(C)c3ccccc3n2C)o1	279593570	FTHYFXWCLXYZBD-UHFFFAOYSA-N	300.362	3.018	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@H]2[C@H]2CCCO2)c1O	284927537	GTQSVGNZBHWHMR-UONOGXRCSA-N	311.809	3.198	10	20	DGCD	
COCCN(Cc1ccccn1)Cc1c(O)cccc1Cl	289964890	YTXIUQNQIOOTIH-UHFFFAOYSA-N	306.793	3.089	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccc(C(N)=O)c(F)c2)cc1	292406320	BDSQRXMBGDOFGJ-UHFFFAOYSA-N	315.392	3.383	10	20	DGCD	
COc1ccccc1NC[C@H](O)COCc1ccc(Cl)cc1	386773038	HZKNIRJBVDMCKJ-HNNXBMFYSA-N	321.804	3.338	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@H](C)c2ccccc2O)cc1	387334854	UUQRXAPVBQOOCK-GFCCVEGCSA-N	300.358	3.150	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1C[C@@H]2CCCN2c2ccccc21	490577069	PLBABMACTPKIBC-SCOAYWHSSA-N	305.381	3.110	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCc2nc(C3CC3)ncc2C1	529666575	WZENOHIRHYPLRJ-UHFFFAOYSA-N	315.804	3.271	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)N(C)C(C)C)cc1	747841118	QBRSKXSNPFHTNK-INIZCTEOSA-N	319.493	3.220	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@@H]2CN2CCCCC2)c1	754731497	GUMSHGBUSFJDFV-GOSISDBHSA-N	302.462	3.459	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(Cl)c1	755412916	QDAQJWAOEGHSSQ-UHFFFAOYSA-N	315.753	3.294	10	20	DGCD	
C[C@H](C[C@@H](O)c1ccco1)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756678114	UWHLHIGWZHVGGI-UEKVPHQBSA-N	320.345	3.056	10	20	DGCD	
COc1ccc2c(c1)OC[C@H](N[C@H](C)c1ccc(F)cc1O)C2	756774575	KBKWPFHDYNPMJO-BXUZGUMPSA-N	317.360	3.194	10	20	DGCD	
CCOc1ccc(CN2CCOc3ccc(OC)cc32)c(O)c1	765650869	GQJHRTVPRVRCAK-UHFFFAOYSA-N	315.369	3.199	10	20	DGCD	
COCC1(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1	766123821	SIVPAYBKAWOJQI-UHFFFAOYSA-N	312.413	3.311	10	20	DGCD	
CC(C)CCC1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768463653	KXYWYNWPRYKXTJ-SFHVURJKSA-N	319.445	3.466	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC2CCN(C)CC2)cc1F	769328356	GKPOLLJJQWKJJE-UHFFFAOYSA-N	321.484	3.446	10	20	DGCD	
CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(O)cs1	771417362	HWDMHZFXUASBNA-OTYXRUKQSA-N	309.362	3.099	10	20	DGCD	
CCC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	774904086	NUMVVQKWSAZSCW-LBPRGKRZSA-N	308.378	3.321	10	20	DGCD	
CCC[C@](C)(O)CNCc1cc(Br)cc(C)c1O	776174061	GFVCSGLGHOILGE-AWEZNQCLSA-N	316.239	3.104	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@H](F)Cc1ccccc1	778274217	ZZHZTGLLMNOKJS-CYBMUJFWSA-N	324.446	3.322	10	20	DGCD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C2	779475549	KODZOJHFGSKBLR-RSVVIEAHSA-N	315.413	3.442	10	20	DGCD	
CC(C)N(Cc1ccco1)C(=O)/C=C/c1ccc(O)c(O)c1	779504554	AYWRHYCZJSLEQV-SOFGYWHQSA-N	301.342	3.141	10	20	DGCD	
CSc1ccccc1S(=O)(=O)Nc1ccc(O)cc1F	780401114	BQXLVPMMJUITFG-UHFFFAOYSA-N	313.375	3.054	10	20	DGCD	
C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cc2c(cc1O)OCO2	780791970	DMDWHDPCIYZJJD-KOLCDFICSA-N	317.307	3.284	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2cncn2c1	786329908	IUTITMVIWQUJEC-UHFFFAOYSA-N	309.369	3.092	10	20	DGCD	
CC1(CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1	792029560	WFLAFCBBJBYCBT-UHFFFAOYSA-N	301.434	3.276	10	20	DGCD	
COc1ccc(CNC(=O)C(C)(C)c2ccccc2C)c(O)c1	794378123	CRCICIRRBZBYFQ-UHFFFAOYSA-N	313.397	3.303	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCC[C@@H](C)[C@@H]2C)c1O	795999120	HAFJZVBPOQZKRJ-AGIUHOORSA-N	322.405	3.471	10	20	DGCD	
COCCc1ccnc(N[C@H](C)c2cc(F)cc(F)c2O)c1	797046609	XSSHSZDGDPIBBF-SNVBAGLBSA-N	308.328	3.427	10	20	DGCD	
CC(C)(C)CCCCC(=O)OCC(=O)c1ccc(O)c(O)c1	805584711	HGRRUNKHZUDPJH-UHFFFAOYSA-N	308.374	3.430	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H]2CCc3n[nH]cc3C2)c1O	808706793	VANTYJJLFCCCMI-MFKMUULPSA-N	305.809	3.285	10	20	DGCD	
CCN(CC(=O)N1CCCCCC1)Cc1cc(Cl)ccc1O	809712918	AZHOHMPNRCNYIY-UHFFFAOYSA-N	324.852	3.270	10	20	DGCD	
CC[C@H](NCCc1cn[nH]c1)c1ccc(C(F)(F)F)cc1O	810247283	JDVLKWKYDILPAN-ZDUSSCGKSA-N	313.323	3.418	10	20	DGCD	
Cc1cc(CN2CCN(c3cccs3)CC2)ccc1N(C)C	815061141	KUSJTTTWDSSSFE-UHFFFAOYSA-N	315.486	3.445	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)[C@]3(C)CCCO3)CC2)cc1	815573255	DGKNVPDKLBXRQQ-KXBFYZLASA-N	318.461	3.211	10	20	DGCD	
C[C@@H](NCC(F)(F)CN)c1ccc(N2CCCCCC2)cc1	817965827	CPLWEXUMTJCNSG-CQSZACIVSA-N	311.420	3.312	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN[C@@H]2CC[C@H]2O)cc1	818231969	ZFXNATAGRXYMGM-WOJBJXKFSA-N	310.441	3.326	10	20	DGCD	
CCC(C)(C)OCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	836691378	KVSJTPOQGJHYCX-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(F)(F)C(F)F	840556391	LJJGEFRPOOYAAG-JTQLQIEISA-N	320.330	3.009	10	20	DGCD	
CC1(C)CC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	840756839	DBAHBFVQRJFYSM-OAHLLOKOSA-N	310.388	3.080	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCCCn1ccnc1C	840933909	KTXWLQMTXMJMOO-UHFFFAOYSA-N	300.450	3.136	10	20	DGCD	
CC(C)c1cnc(CNC[C@@H](N)c2ccc(N(C)C)cc2)s1	841046108	WFZJJHZRRUOXQB-OAHLLOKOSA-N	318.490	3.122	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCNC[C@@H]1c1cccc(F)c1	843118943	QERPIERNZFPALP-MRXNPFEDSA-N	320.795	3.331	10	20	DGCD	
CC[C@H](C)Oc1cc(-c2nc(Cc3ccc(N)cc3)no2)ccn1	843158637	FAMXYTXQKWXPEN-LBPRGKRZSA-N	324.384	3.482	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CO[C@@H](C)C2)c(C)n1-c1ccc(F)cc1	844105228	IKNNUJSFSRWXNW-SWLSCSKDSA-N	316.376	3.140	10	20	DGCD	
COc1ccc(N(C)CCN(C)CCc2ccncc2C)cc1	844400334	AQAVVZZJNJWQBE-UHFFFAOYSA-N	313.445	3.009	10	20	DGCD	
C[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)[C@H]1CCN	844900686	CQEYFWAGPMEDNQ-MFKMUULPSA-N	300.805	3.134	10	20	DGCD	
CC(C)(C)OC(=O)N1CCCCN1Cc1cc(F)ccc1O	846070842	YSCIMJHMBHFPNO-UHFFFAOYSA-N	310.369	3.279	10	20	DGCD	
C[C@H](COCC1CC1)NCc1cccc(Br)c1O	846074002	VDGZCHPGEVKKIH-SNVBAGLBSA-N	314.223	3.059	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)CN2CCC[C@@H](C)C2)c1O	846143518	JGHAEFMHUYDTMS-ILXRZTDVSA-N	306.450	3.172	10	20	DGCD	
CCc1cccc(CN(C)CC(=O)N(C)C2CCCCC2)c1O	848881544	QCFQMVHDHSUSOV-UHFFFAOYSA-N	318.461	3.178	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(F)cc2[N+](=O)[O-])c1	851900544	VFZBMBZJVHJJBF-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1	858537118	MNUHMHNGXMUHKN-HOCLYGCPSA-N	302.418	3.326	10	20	DGCD	
COc1ccc(CNc2ccn(CCC(C)C)n2)c(O)c1OC	893171677	QBZIQFRVMKMPFM-UHFFFAOYSA-N	319.405	3.264	10	20	DGCD	
COc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)c(O)c1OC	894140242	BAHIXMHHTCAAGH-ONGXEEELSA-N	319.323	3.182	10	20	DGCD	
CC(C)CO[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	917643686	YZPMQNRSCYCOLN-OAHLLOKOSA-N	318.461	3.305	10	20	DGCD	
COc1ccc(CNCCCNC(=O)[C@@H]2CC[C@@H](C)C2)cc1C	1167597126	QIFAMTSPKRACIX-RHSMWYFYSA-N	318.461	3.036	10	20	DGCD	
CC(C)(C)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1	1237620462	MYHNPRSYCDFCOF-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
CC1(CCC(=O)NCc2ccc(N3CCSCC3)cc2)CC1	1332970670	YPCZBDQRVHGRQA-UHFFFAOYSA-N	318.486	3.436	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC(c3ccccc3)CC2)cc1	1335731753	VCWKYOHBFPRUKP-UHFFFAOYSA-N	309.413	3.358	10	20	DGCD	
C[C@@H](NCC(C)(C)CC(F)F)c1cc(C(=O)O)ccc1O	1593241173	WMPJWHNSPUYXLP-SECBINFHSA-N	301.333	3.422	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc([N+](=O)[O-])c(OC)c1	1597772231	SFIUEDXPUWFHCC-UHFFFAOYSA-N	321.285	3.036	10	20	DGCD	
Cc1cccc(CN[C@H](C)[C@@H](Cc2ccccc2)C(=O)O)c1O	1600532643	XNASOUTWKKAUJR-RHSMWYFYSA-N	313.397	3.122	10	20	DGCD	
Cc1sc(C(=O)O)cc1NC(=O)N1Cc2cccc(O)c2C1	1600871773	HCQWJTDQMNPVKZ-UHFFFAOYSA-N	318.354	3.008	10	20	DGCD	
O=C(CCc1ccccc1)CSc1ncc(C(=O)O)s1	1608317887	LFWRQMYJMZIPEP-UHFFFAOYSA-N	307.396	3.135	10	20	DGCD	
COc1ccc(CNC[C@@H](C)NC(=O)[C@@H](C)C(C)(C)C)cc1C	1754231616	NYYAMXKOOFJEFZ-HUUCEWRRSA-N	320.477	3.280	10	20	DGCD	
CC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	57647181	PZEFUHVBHIEUQU-ZDUSSCGKSA-N	307.413	3.223	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccc(Cl)nc3)ccc21	58768550	YVJDILDXMLXGOE-UHFFFAOYSA-N	315.804	3.047	10	20	DGCD	
O=C(CC[C@H]1CCCCO1)NCc1c(O)ccc2c1CCCC2	75159599	PPSVPFRMYILJRH-OAHLLOKOSA-N	317.429	3.237	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCCOc1cccc(F)c1	80357024	MYQRCEXHVQISKS-UHFFFAOYSA-N	317.360	3.349	10	20	DGCD	
CN(C)c1ccc(CN2CCN(c3cccs3)CC2)cc1	93691971	CSKAGRSDDGFGTI-UHFFFAOYSA-N	301.459	3.136	10	20	DGCD	
O=C(NCCCSc1nccs1)NC(C1CC1)C1CC1	151939373	XWFLYHUMBLARIN-UHFFFAOYSA-N	311.476	3.113	10	20	DGCD	
Cc1cc(Br)ccc1/C=C1/SC(=S)NC1=O	164607406	YPEZFHICICIEMV-WEVVVXLNSA-N	314.229	3.246	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(CC(F)F)C2CC2)c1O	177149896	BXKMENXDPRCAAY-UHFFFAOYSA-N	303.736	3.478	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@H](C)c2ccc(F)cc2O)cc1	185825997	UEUOLYVCIRWIAQ-SJKOYZFVSA-N	319.376	3.314	10	20	DGCD	
C[C@@H](NCC1(CO)CCCC1)c1cc2c(cc1O)CCCC2	186481928	PJVKAWVGTNRBFU-CQSZACIVSA-N	303.446	3.474	10	20	DGCD	
Nc1ccc(CCNC(=O)C2(c3cccc(Cl)c3)CC2)cc1	237930739	DPRZOULOSJWJLM-UHFFFAOYSA-N	314.816	3.313	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@](C)(O)C1CC1	270024672	JZNRJYVQYPDKMY-LJQANCHMSA-N	318.461	3.041	10	20	DGCD	
CCOc1ccc(O)c(CN2CCO[C@@H](c3ccccc3)C2)c1	271046491	QVHKEHSDFGRCEQ-LJQANCHMSA-N	313.397	3.364	10	20	DGCD	
CC(C)(C)C1=CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	272360817	BLSNUSLCPVZDMB-FNORWQNLSA-N	301.386	3.316	10	20	DGCD	
COCc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	273391220	KUSGNUZWGPOYED-LBPRGKRZSA-N	316.357	3.298	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](F)C(F)(F)F	291628645	SDOQABKEPKFYRR-GFCCVEGCSA-N	307.287	3.421	10	20	DGCD	
CC[C@H](c1ccccc1O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1	294887906	WDUBDKOLWZFUHU-GOEBONIOSA-N	318.461	3.457	10	20	DGCD	
Oc1nc(NCCCSc2nccs2)nc2ccccc12	301794043	SENFQGYHCMGFHG-UHFFFAOYSA-N	318.427	3.386	10	20	DGCD	
Cc1c(CNC(=O)c2cn(C)nc2C(C)C)n(C)c2ccccc12	348699421	MENDDZLCXWOVOE-UHFFFAOYSA-N	324.428	3.274	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1C1CC1	364826993	MZBVHHNQUKLACE-SFHVURJKSA-N	311.429	3.147	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ccc(F)c(F)c1	373853318	XQQMJXJUJYBXMA-CQSZACIVSA-N	319.307	3.353	10	20	DGCD	
CN1CCC[C@H](CNCc2cc(-c3ccccc3)ccc2O)C1	731041543	FYQLMYCJYFCCND-MRXNPFEDSA-N	310.441	3.491	10	20	DGCD	
Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(O)cs2)cc1C	731912639	WDCKXFLHJTXZCH-LLVKDONJSA-N	304.367	3.499	10	20	DGCD	
C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	733806635	GMTDNZZYXNRQRA-KBPBESRZSA-N	322.474	3.180	10	20	DGCD	
CN(C)c1ccc(CNc2c(C(=O)O)nnc3ccccc23)cc1	737955629	UZUGZIFJIMGCGF-UHFFFAOYSA-N	322.368	3.006	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](CCO)c2cccs2)c1O	754392686	CCLWSQMHWCSIOG-AWEZNQCLSA-N	323.389	3.009	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2nnc(C(C)C)s2)c1	756639796	FOPLTMUNLXNHRW-SNVBAGLBSA-N	307.419	3.227	10	20	DGCD	
C[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)Oc1ccccc1	756707387	YLIDUOAFQFJXCD-CHWSQXEVSA-N	316.357	3.419	10	20	DGCD	
Cc1cccc(NCCN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)n1	756746188	IOEKDYMBGDHKQB-FZMZJTMJSA-N	315.392	3.485	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1O	756760118	IMYWOHPIMSBRNC-BLLLJJGKSA-N	320.408	3.116	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1	759932999	HQNBZSAULNOQJT-HOTGVXAUSA-N	318.461	3.415	10	20	DGCD	
CC(C)(C)c1nc(CCNC(=O)c2cc(O)cs2)cs1	766240192	VZUVWSBHVDQUIH-UHFFFAOYSA-N	310.444	3.180	10	20	DGCD	
C[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccc(N(C)C)cc1	775403425	IPZSHAKUYVURNS-HOTGVXAUSA-N	317.477	3.194	10	20	DGCD	
Cc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O	775664375	MVVRFGVEGXLTAX-AWEZNQCLSA-N	320.433	3.142	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H]2CCCSC2)c1O	776231025	FOTUDCPHLGFBQQ-GFCCVEGCSA-N	316.264	3.448	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1CC[C@H](n2cncn2)C1	777222791	SRZJQZLHNQSSGR-SFHVURJKSA-N	320.396	3.098	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1ncnn1CC(C)C	778955011	LURZQWSTJFIEEW-UHFFFAOYSA-N	314.433	3.286	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2c(c1)CCN2C)c1ccc(N(C)C)cc1	779102408	XTMNBBCYJKMOCR-CQSZACIVSA-N	323.440	3.236	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](c2ccnn2C)C(C)C)c1	788257664	CHMYTBAECYOXCC-BBRMVZONSA-N	317.433	3.225	10	20	DGCD	
CCC(CC)(CCO)NCc1cccc(Br)c1O	800894845	NJFUIYXLDNMBAQ-UHFFFAOYSA-N	316.239	3.186	10	20	DGCD	
CCCN1C[C@@H](CN[C@@H](CC)c2cc(Cl)ccc2O)CC1=O	817588160	CJQJOYMHHUHWDT-DOMZBBRYSA-N	324.852	3.345	10	20	DGCD	
CCN(CCO)Cc1ccc(N(C)Cc2cccs2)cc1	823379560	XBHFUGGVUYBVKH-UHFFFAOYSA-N	304.459	3.199	10	20	DGCD	
Cc1cccc(CN[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1O	825111362	MWUVMARTYLILNV-GJZGRUSLSA-N	324.424	3.157	10	20	DGCD	
COc1cc(F)cc(C[C@H](C)NCc2cc(OC)ccc2O)c1	825326263	KXEQZOZHFWIYCV-LBPRGKRZSA-N	319.376	3.269	10	20	DGCD	
C[C@@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1O	827940354	BSCFJCIGFQEXAD-QMTHXVAHSA-N	318.398	3.191	10	20	DGCD	
CCCONC(=O)NCc1ccc(N2CCC(C)CC2)cc1	828268066	CTZHBNWOZSQEJN-UHFFFAOYSA-N	305.422	3.064	10	20	DGCD	
C[C@@H](N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(F)cc1O	834903100	IGRUHGSZENKZNQ-RVZJWNSFSA-N	316.376	3.497	10	20	DGCD	
Cc1cc(C(=O)NC2(C(F)(F)F)CC2)c(C)n1-c1ccccn1	837681830	IRBBTSFLQZEIMT-UHFFFAOYSA-N	323.318	3.314	10	20	DGCD	
COc1cccnc1CNC(=S)Nc1ccc2c(c1)CCC2	840825801	MFLNRMHCDQYDOF-UHFFFAOYSA-N	313.426	3.066	10	20	DGCD	
O=C1CCCN1[C@H]1CCCN(Cc2c(O)cccc2Cl)CC1	840974205	ABRHZGHQIVRLGE-ZDUSSCGKSA-N	322.836	3.023	10	20	DGCD	
C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](c2ccsc2)O1	841300909	WORJLHXRMQEWGS-ABAIWWIYSA-N	317.414	3.324	10	20	DGCD	
C[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1O	841748030	GPLPMKLLCAMGGS-JSGCOSHPSA-N	317.820	3.370	10	20	DGCD	
COC1(C(F)(F)F)CCN(Cc2cccc(C)c2O)CC1	841888816	RUOWAFCYGORQQS-UHFFFAOYSA-N	303.324	3.244	10	20	DGCD	
Cc1cc(C)c(CNC(=O)NCc2cc(Cl)ccc2O)cn1	845246106	NBMKJUDEBGIMBZ-UHFFFAOYSA-N	319.792	3.057	10	20	DGCD	
COc1ccc2c(c1)[C@@H](C(=O)NCCc1ccc(N)cc1)CCC2	848395862	XEFZWGXLYNLZRJ-SFHVURJKSA-N	324.424	3.056	10	20	DGCD	
CCc1cccc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)c1O	848894937	IFRJFUWEACZSIL-LBPRGKRZSA-N	313.401	3.296	10	20	DGCD	
CO[C@@](C)(CN(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1	876531851	RCAYMRIUNFIJIX-MJGOQNOKSA-N	319.445	3.188	10	20	DGCD	
Cc1csc(CNCc2ccc(N3CCC(O)CC3)cc2)c1	877564645	HXORRTNHHKJOLW-UHFFFAOYSA-N	316.470	3.307	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCN(c2ccccc2F)C1	883127099	LNPRVOUKACQJBZ-CYBMUJFWSA-N	322.330	3.178	10	20	DGCD	
C[C@@H](NC[C@@H]1COc2ccccc2C1)c1c(O)cccc1F	886513087	SZKVYMZGBJYEDG-CHWSQXEVSA-N	301.361	3.433	10	20	DGCD	
CC(=O)Nc1ccc(CCN[C@H](C)c2c(O)cccc2F)cc1	886522432	JCTWCCISTTXHSY-GFCCVEGCSA-N	316.376	3.383	10	20	DGCD	
CCC1(CC)[C@@H](NCc2ccc(OC)c(OC)c2O)C[C@@H]1OC	893172117	MCIOFWQFCOACOD-GJZGRUSLSA-N	323.433	3.093	10	20	DGCD	
COC(=O)[C@H](NCc1ccc2c(c1)CCCO2)c1cccs1	893950611	JNYMOQWZGBWZOD-MRXNPFEDSA-N	317.410	3.077	10	20	DGCD	
COC[C@H](Cc1ccccc1)NCc1cc(C)cc(OC)c1O	894320706	OJRJFRGCEVGJFN-KRWDZBQOSA-N	315.413	3.057	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H](c2nncn2C)C(C)C)c(O)c1C	903066259	UKXRECYOGSGZJX-HIFRSBDPSA-N	302.422	3.185	10	20	DGCD	
CCCCOc1ccc(C(=O)NCc2ccc(O)cc2O)cc1	910958842	XEUNYUXKJUDQEO-UHFFFAOYSA-N	315.369	3.207	10	20	DGCD	
CCCC(CCC)C(=O)NCCNCc1ccc(OC)c(C)c1	1133026457	FRQYGLCJMBDIBT-UHFFFAOYSA-N	320.477	3.426	10	20	DGCD	
Cc1cc([C@H](C)NC(=O)NCCc2ccc(N)cc2)c(C)o1	1327471672	XYNCKHCQAUPDFT-LBPRGKRZSA-N	301.390	3.082	10	20	DGCD	
COc1cc(CN2C[C@H]3CC[C@H]2[C@@H](O)C3)c(O)c(C(C)(C)C)c1	1331522384	FCKSGBYPTUPMOK-ZLIFDBKOSA-N	319.445	3.044	10	20	DGCD	
CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(N)cc1	1336287030	WEQJBFPGOVPHKF-UHFFFAOYSA-N	311.429	3.346	10	20	DGCD	
O=C(CSc1nccs1)NCC1(c2ccccc2)CC1	47297207	BJIYEWLFVLAFMX-UHFFFAOYSA-N	304.440	3.083	10	20	DGCD	
CSCCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	108443620	XQVNFUQKKYSGJX-UHFFFAOYSA-N	321.490	3.085	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCC(=O)c1ccccc1	115490197	RHSMFCDCCIHQEK-UHFFFAOYSA-N	324.424	3.340	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)[C@@H]3CCSC3)c2c1	124967562	HVLWKJYMAZIIDM-CYBMUJFWSA-N	303.427	3.491	10	20	DGCD	
COc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])c(O)cc1C	179437628	LVZZKLKQPHYVDI-UHFFFAOYSA-N	316.357	3.249	10	20	DGCD	
C[C@@H](N[C@H]1CCCOCC1)c1cc(Br)ccc1O	186234016	NQDLCSAZGIVAKV-PWSUYJOCSA-N	314.223	3.374	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCCCCCO)c1O	192925085	PIGIDTAOQCHKIG-NSHDSACASA-N	316.239	3.276	10	20	DGCD	
C1=CO[C@@H](CNCc2ccc(N3CCSCC3)cc2)CC1	194228925	KQTXNAKMLPSSOJ-QGZVFWFLSA-N	304.459	3.022	10	20	DGCD	
Cc1cnc(N(C)Cc2ccccc2O)c(Br)c1	194325368	GGQAQXCTBSXOKV-UHFFFAOYSA-N	307.191	3.495	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)CN2CCC[C@@H](C)C2)c1	248485411	DXVSQYMMCZUZKR-ILXRZTDVSA-N	306.450	3.172	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccncc1F	265866544	OIYNJARQGHZUIA-UHFFFAOYSA-N	315.392	3.338	10	20	DGCD	
CC(C)c1nc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)n[nH]1	271586611	XOUQQNOJPFVACF-STQMWFEESA-N	301.438	3.406	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2CCO[C@H](C(C)C)C2)c1O	273742787	LZNNNLBFGIQPKJ-KGLIPLIRSA-N	313.825	3.347	10	20	DGCD	
COc1ccc(CC[C@H](C)NCc2ccccc2O)cc1O	277260170	QKKBBYSWWJEZBE-ZDUSSCGKSA-N	301.386	3.217	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2c(F)cccc2F)cc1OC	293526136	BKIJRGXKAFQCFM-UHFFFAOYSA-N	323.339	3.320	10	20	DGCD	
CC[C@H](C)[C@@H](OC)C(=O)NCc1c(C)c2ccccc2n1C	357144359	AOIHDRJGQTXKGQ-YVEFUNNKSA-N	302.418	3.164	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@](O)(c2ccc(F)cc2)C1	378517112	JCKWPLAOWBOJJB-QGZVFWFLSA-N	321.779	3.278	10	20	DGCD	
OC[C@H](CC(F)(F)F)NCc1cc(Cl)cc(Cl)c1O	717790819	NABIMQYUOXJXAU-QMMMGPOBSA-N	318.122	3.102	10	20	DGCD	
Cc1ccc(OC2CCN(C(=O)c3cc(O)cs3)CC2)cc1	735118430	OCNMMBARUJQORQ-UHFFFAOYSA-N	317.410	3.446	10	20	DGCD	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1C	740701106	RXOVQQMYZXOQNI-UHFFFAOYSA-N	321.398	3.209	10	20	DGCD	
CCN(CC(=O)N1[C@@H](C)CCC[C@H]1C)c1ccc(OC)cc1	744391649	DINQSBWTBPRPHK-GASCZTMLSA-N	304.434	3.311	10	20	DGCD	
CC(C)[C@H](C)N(C)C(=O)NCc1ccc2c(c1)CCCN2C	746982628	FKJQAMVHIYZYFR-AWEZNQCLSA-N	303.450	3.255	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)C(F)(F)C(F)F)C2CC2)cc1	749340967	DJBDVLPIBWNIQA-UHFFFAOYSA-N	318.314	3.144	10	20	DGCD	
CC[C@@H](C)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	756324058	YVGCSOXNWDOMOV-RDDDGLTNSA-N	306.189	3.288	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCN2CCCCC2=O)cc1	765844362	FEVNIBHXYVOADQ-MRXNPFEDSA-N	317.477	3.196	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(c2cccnc2)CC1	789963605	FUFWZFVXCHLUCN-UHFFFAOYSA-N	323.440	3.228	10	20	DGCD	
Cc1nc2c(C(=O)NCc3ccc(N(C)C)cc3C)cccc2o1	791592510	GAAQZPNZFZZRCO-UHFFFAOYSA-N	323.396	3.441	10	20	DGCD	
C[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)[C@H]([C@@H](C)O)C1	792180736	STIBFZZSQQDHII-BREBYQMCSA-N	301.789	3.166	10	20	DGCD	
CCC[C@](C)(O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792972736	BFWWVRGBTHYLDT-HNNXBMFYSA-N	318.383	3.412	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H]2CCC(C)(C)C2)c1O	793351570	JNOVDCUWJUACBP-LBPRGKRZSA-N	308.378	3.320	10	20	DGCD	
COCCN(Cc1cccnc1C)c1ccc(OC)c(OC)c1	809963244	LJSJWVKQVFQGJZ-UHFFFAOYSA-N	316.401	3.060	10	20	DGCD	
CCc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1O	813430983	YOOUBSWANYSODF-UHFFFAOYSA-N	316.376	3.090	10	20	DGCD	
Oc1c(CN2CCC(Cn3ccnn3)CC2)ccc2ccccc12	816520999	CZYRBFBYZXEFPU-UHFFFAOYSA-N	322.412	3.049	10	20	DGCD	
CNC(=O)c1ccc(NCc2cc(Cl)c(F)cc2O)cc1	816598078	OWJALUCWTVICQF-UHFFFAOYSA-N	308.740	3.156	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C(C)(C)[C@H](N)c1ccccc1	817921987	MQIVSXZGRXTBKC-QGZVFWFLSA-N	312.413	3.077	10	20	DGCD	
C[C@@H](CCCCN)N[C@H](C)c1cc(Br)ccc1O	817976545	NERKVNTXSSFJTQ-WDEREUQCSA-N	315.255	3.323	10	20	DGCD	
Cc1ccc([C@@H](O)CNCCCSc2nccs2)cc1	819064027	SLKZLTSLPVCVJZ-AWEZNQCLSA-N	308.472	3.257	10	20	DGCD	
Oc1cccc2c1[C@H](NCCCN1CCc3ccccc3C1)CC2	834501730	IBMQOAYYIYRGLT-LJQANCHMSA-N	322.452	3.418	10	20	DGCD	
CN1CCC[C@H](CCNCc2cc(Cl)cc(F)c2O)C1	839180113	CIRKRLQYXCJHKG-LLVKDONJSA-N	300.805	3.006	10	20	DGCD	
CN(C)CCOc1ccc(NCc2ccccc2O)cc1F	839189500	SRRZMKMJVXILRJ-UHFFFAOYSA-N	304.365	3.084	10	20	DGCD	
CCn1ccc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1	839810811	LEYFHYYBHZQGPQ-UHFFFAOYSA-N	322.412	3.241	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)C(F)(F)F	839919791	TUZOODMRVLDBDX-NWDGAFQWSA-N	316.367	3.307	10	20	DGCD	
Oc1ccc2oc3c(c2c1CN1CCO[C@H](CF)C1)CCCC3	840172186	NEBCRIKAAPXWST-GFCCVEGCSA-N	319.376	3.188	10	20	DGCD	
C[C@H](NC1CCN(CC(F)F)CC1)c1ccc(Cl)cc1O	841746146	CSXVNBVQGIAKGK-JTQLQIEISA-N	318.795	3.426	10	20	DGCD	
CCS[C@H]1CCC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1	841850597	XQJNCCVDXDHZIB-CVEARBPZSA-N	321.490	3.175	10	20	DGCD	
CC(C)CC1CCN(C(=O)NCCc2ccc(N)cc2)CC1	841960331	NHLWBOQHDGFUCD-UHFFFAOYSA-N	303.450	3.279	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(SC)n2)c1	843830488	HFHZIYZBFAJZOS-SNVBAGLBSA-N	318.398	3.009	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(Cl)nc(C2CC2)c1	847590073	UGLVRNMQFXVXDH-UHFFFAOYSA-N	302.761	3.248	10	20	DGCD	
CCc1cccc(CNC[C@@](C)(O)c2ccc(F)cc2F)c1O	848896395	AIVKCUZNCGNPBS-GOSISDBHSA-N	321.367	3.230	10	20	DGCD	
COC[C@H](NCc1cc(OC)cc(C(C)(C)C)c1O)C1CC1	850222405	XLEFSYANJPQNRB-INIZCTEOSA-N	307.434	3.213	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2CCCN(CC3CC3)C2)c1	853241519	WKFIPNZQQOOZBV-RDJZCZTQSA-N	302.462	3.473	10	20	DGCD	
CC1=NO[C@H](CNC(=O)c2sccc2-n2c(C)ccc2C)C1	854792036	PFHZAEVZTTXKFL-ZDUSSCGKSA-N	317.414	3.050	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C)[C@H](CO)C2)cc1F	857061899	WIQPMBMSOPGPBK-ZBFHGGJFSA-N	308.441	3.122	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@@H]3C[C@H]3C2)cc1-n1c(C)cc(C=O)c1C	862557830	KDQAWTDPQLUTQA-IRXDYDNUSA-N	322.408	3.307	10	20	DGCD	
COc1ccc(N2CCC(NCCC(C)(C)OC)CC2)cc1	865754002	BIBXIBXLQZGMFH-UHFFFAOYSA-N	306.450	3.069	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](C)CC2(C)OCCO2)c(O)c1C	866424784	HFPZRCWEPDAZMG-DOMZBBRYSA-N	307.434	3.449	10	20	DGCD	
C[C@H]1CC(CCNC(=O)N[C@H](C)c2ccccc2O)C[C@H](C)O1	868585478	FPFWLLYUBNVGLT-MELADBBJSA-N	320.433	3.346	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)N(C3CC3)C3CC3)cs2)cc1	877023692	ARWMKRSJROFKKU-UHFFFAOYSA-N	313.426	3.083	10	20	DGCD	
CCN(Cc1ccc(OC)c(OC)c1O)Cc1occc1C	894922877	AOVXKVPKXXSMRL-UHFFFAOYSA-N	305.374	3.333	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](C3OCCO3)C2)cc1C(C)C	905695329	NQHOPWUUROQYFM-AWEZNQCLSA-N	305.418	3.019	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1cnn(CC2CCC2)c1	921748525	WIIAWCZXGWBMHC-UHFFFAOYSA-N	312.461	3.347	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C	1118238661	MRFDAHAXIGODJY-KRWDZBQOSA-N	318.461	3.497	10	20	DGCD	
OC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)c2ccccc21	1343973543	WMZIJJYYXUWXPH-QGZVFWFLSA-N	308.425	3.383	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](c1nncn1C)C(C)C	1353932182	GXVYTGFVVAFUKS-PBFPGSCMSA-N	314.433	3.364	10	20	DGCD	
CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1C(=O)O	1598005728	CLHNMQZXFSEABT-VQHVLOKHSA-N	316.744	3.109	10	20	DGCD	
CN(Cc1ccc(C(=O)O)cc1)Cc1cc2c(cc1O)CCC2	1598513286	SHNRBXVWRLHSOG-UHFFFAOYSA-N	311.381	3.211	10	20	DGCD	
COc1cccc(N[C@@H](C)c2cc(C(=O)O)ccc2O)c1F	1599679811	JOIXZEAMTWGYOC-VIFPVBQESA-N	305.305	3.411	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2cc(C(=O)O)ccc2O)c(Cl)n1	1600419182	LODOIYPHZMIKJZ-SNVBAGLBSA-N	320.776	3.298	10	20	DGCD	
O=C(O)CC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	1606126285	XOZAHWXGRLBEPM-SNVBAGLBSA-N	315.772	3.262	10	20	DGCD	
CC[C@H](C)[C@@H](CC(=O)O)NCc1ccc2c(c1)CCN2CC	1776953993	CTLYBZSXJBFFRR-XJKSGUPXSA-N	304.434	3.048	10	20	DGCD	
COCc1noc(-c2cc(C)n(-c3ccc(F)cc3)c2C)n1	109599887	TXHBHWNLKKLWQN-UHFFFAOYSA-N	301.321	3.430	10	20	DGCD	
C[C@H]1CCCC[C@H]1OCC(=O)N(C)Cc1ccc(N(C)C)cc1	112856713	VTFZSQHCSJCSCQ-MAUKXSAKSA-N	318.461	3.306	10	20	DGCD	
C[C@H](NC[C@@H](c1ccccc1)N(C)C)c1ccc(F)cc1O	170788842	SINXJPJXXJMTQT-GUYCJALGSA-N	302.393	3.485	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc3cc(C)ccc3o2)c1	114543401	UIFAPVGXJMJYLX-UHFFFAOYSA-N	311.337	3.385	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCCCC1	68535589	RWUSZWHNOVWORQ-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)Cc1ncnn1C	179646508	BEFOAGDONRMQNL-OAHLLOKOSA-N	322.412	3.284	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1	25049453	MHQIQHHVZQJJNW-UHFFFAOYSA-N	322.412	3.100	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2cccnc2)cc1F	66906890	QYAFZPDMBRGTJA-UHFFFAOYSA-N	316.380	3.389	10	20	DGCD	
Cc1ccc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)cc1	31726265	FESXWXSCYVIYJZ-UHFFFAOYSA-N	311.429	3.403	10	20	DGCD	
Cc1nc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2o1	180627721	AQFNWVUSBXRPLD-XVNBXDOJSA-N	310.309	3.199	10	20	DGCD	
COc1ccc(N(C)Cc2nc([C@@H](C)OC)no2)cc1Cl	121858470	HMOWZMDNTQEZKU-SECBINFHSA-N	311.769	3.075	10	20	DGCD	
CC(C)CC(=O)N1CCC(N[C@H](C)c2ccccc2O)CC1	183465714	WCWREQJZJTWSJU-CQSZACIVSA-N	304.434	3.080	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H]1CCN(C2CC2)C1	314767421	WHKOEUFBJFFAMA-YCPHGPKFSA-N	300.446	3.323	10	20	DGCD	
Cn1ccnc1C[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1	182089929	ZAUYFVSHZDNXQX-ZDUSSCGKSA-N	319.836	3.234	10	20	DGCD	
CN(C)c1ccc(CNC(=O)/C=C/SCc2ccco2)cc1	84921071	CNVBKHIYKXCPBF-PKNBQFBNSA-N	316.426	3.409	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(F)cc1C	137883603	UCMZLRBZRJLSFE-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
CO[C@@H](C)CNCc1ccc(OCc2ccccc2)cc1O	191204577	NYRYPEDAEHJSAE-AWEZNQCLSA-N	301.386	3.096	10	20	DGCD	
Cc1c(CN[C@@H]2CCC[C@H]2[C@@H]2CCCN2)n(C)c2ccccc12	423085841	LOUACBYTVMNRKL-OKZBNKHCSA-N	311.473	3.497	10	20	DGCD	
CCOc1ccc(NCc2cc(OC)ccc2O)cc1OC	237022420	HGEKOFXGCUITDJ-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
COC(=O)CN(Cc1ccc(C)o1)Cc1cc(Cl)ccc1O	93277060	YRWKOLFCNMUOCA-UHFFFAOYSA-N	323.776	3.122	10	20	DGCD	
CC(C)NC(=O)CCNCc1cc(-c2ccccc2)ccc1O	263643150	AKNPVXIHBIJRQW-UHFFFAOYSA-N	312.413	3.064	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccn(C(C)C)n1	265096161	VPYSLUQAIYMOKQ-UHFFFAOYSA-N	301.390	3.222	10	20	DGCD	
CCOc1ccc(N(CC)CCCS(=O)(=O)C(C)C)cc1	268261867	XPDWQHBOWCPASW-UHFFFAOYSA-N	313.463	3.125	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CS1	277110375	HYXLSVFRKWYMLC-AEFFLSMTSA-N	320.502	3.143	10	20	DGCD	
CC[C@H](NC[C@@H]1CCCN(C(C)=O)C1)c1ccc(N(C)C)cc1	280838526	AJGRLDYCHIVZMJ-LPHOPBHVSA-N	317.477	3.052	10	20	DGCD	
Oc1ccc2c(c1)OCCN(Cc1cccc(Cl)c1O)C2	289811657	SWHYETYXUNJHPQ-UHFFFAOYSA-N	305.761	3.146	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H]1CCN(c3ccccc3)C1)CC2	295989349	NPYWSVLNKVUKAC-YJBOKZPZSA-N	308.425	3.496	10	20	DGCD	
C[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCCOC1	807841286	XCYIFOKNLCXELI-AWEZNQCLSA-N	318.200	3.132	10	20	DGCD	
CCCCN(Cc1ccccc1O)C[C@@](C)(O)C(F)(F)F	801596207	STCTWTBMWYZNGM-CQSZACIVSA-N	305.340	3.308	10	20	DGCD	
Cc1sccc1CNCc1ccc(N2CCOCC2)c(F)c1	293585081	NXWCKCJKJMOQDZ-UHFFFAOYSA-N	320.433	3.322	10	20	DGCD	
CCN(CCCN(C)C)Cc1ccc(N2CCCCC2)cc1	809750477	XRSWDZXOGXWSPB-UHFFFAOYSA-N	303.494	3.451	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1	815580107	CFOYSUDHZFXVRD-ARFHVFGLSA-N	318.461	3.307	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(C)c(C)c2)c1	728980496	HZZLROAOGMFOJG-AWEZNQCLSA-N	313.397	3.438	10	20	DGCD	
COc1cc(CCNCc2c(O)cccc2OC)ccc1Cl	815162191	DQZICFUDMABCSW-UHFFFAOYSA-N	321.804	3.395	10	20	DGCD	
Cc1nc(C(C)(C)NCc2cc(C(C)(C)C)cc(O)c2O)no1	729849764	AIJZMIIRLFINKT-UHFFFAOYSA-N	319.405	3.112	10	20	DGCD	
CC1(C)C[C@@H](O)CCN(Cc2cc(Cl)cc(F)c2O)C1	825090882	MATJQWRKARLOBI-LBPRGKRZSA-N	301.789	3.168	10	20	DGCD	
C[C@@H](C[C@@H]1CCOC1)NCc1ccc(Br)cc1O	825347401	LECDKQBDACZHKB-QWRGUYRKSA-N	314.223	3.059	10	20	DGCD	
O=C(O)[C@H]1CC[C@@H](NCc2ccc(N3CCCCC3)cc2)CC1	904056969	XXBSORYWUDFNDF-CALCHBBNSA-N	316.445	3.410	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](C)Cn2ccnc2C)cc1Cl	825089576	FUCBCWYPQMOPOP-NSHDSACASA-N	307.825	3.285	10	20	DGCD	
CCOc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1OC	827923625	WJLFLJRRQFAQFZ-GFCCVEGCSA-N	315.369	3.291	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN[C@H]2CCOC2)cc1	824023888	ZUISCCNTMVJNLR-HNNXBMFYSA-N	302.443	3.263	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@@H](COCc2ccccc2)C1	743718366	NMJUSGDMZLQUKV-CQSZACIVSA-N	317.410	3.133	10	20	DGCD	
C[C@H](N[C@@H]1CCCN2CCCC[C@@H]12)c1cc(F)cc(F)c1O	848568309	FFVQIIGRHYWGQT-XZJROXQQSA-N	310.388	3.338	10	20	DGCD	
CC[C@H](CCC(=O)O)NCc1ccc(N2CCCCC2)cc1	841812549	XVNDEHURTWNMKS-MRXNPFEDSA-N	304.434	3.410	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(F)(F)C(F)F)cc1F	749384989	BARDMTROUVIBGR-UHFFFAOYSA-N	324.293	3.189	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1	844856864	NYVFELYPTFAMOA-RLFYNMQTSA-N	316.445	3.026	10	20	DGCD	
COc1ccccc1OCCNCc1ccc(N(C)C)cc1C	840928207	MSQFOFUVIHAMRO-UHFFFAOYSA-N	314.429	3.238	10	20	DGCD	
CCO[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)C1(CC)CC	749559404	RYISOFVFQDVPHG-CVEARBPZSA-N	320.433	3.175	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)[C@H](O)c2ccc(F)cc2)c1O	846142794	CKMPCGJIFYHTHX-JKDFXYPNSA-N	319.376	3.313	10	20	DGCD	
CN(C)c1ccc(CN[C@H](CCCN)c2ccccc2)cc1F	841088035	XJKHWUWTNAHAES-GOSISDBHSA-N	315.436	3.462	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(Cl)cc1O	841760170	RKRIQQLOYGOELN-SNVBAGLBSA-N	323.824	3.201	10	20	DGCD	
CC[C@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O	846206271	OYXNBHSREYCYJM-NHYWBVRUSA-N	322.836	3.097	10	20	DGCD	
C[C@@H](NCCCN1CCCCCC1=O)c1ccc(Cl)cc1O	841745347	YFBPPCCGYFLABJ-CYBMUJFWSA-N	324.852	3.489	10	20	DGCD	
CC(C)[C@H](CNCc1ccc2c(c1)CCCO2)c1ccnn1C	922044077	HJZLOKHNDMOXCA-KRWDZBQOSA-N	313.445	3.275	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C2CCC(N)CC2)cc1F	843055536	GKKXXJZWGHJHSF-UHFFFAOYSA-N	307.457	3.374	10	20	DGCD	
COc1cc(Br)cc(CNCCC(C)(C)F)c1O	850374314	IMQRJZOTMVAKTP-UHFFFAOYSA-N	320.202	3.391	10	20	DGCD	
COc1ncccc1CN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	756394780	YEUODJXHRMOPIF-GXFFZTMASA-N	302.349	3.273	10	20	DGCD	
CCOC(=O)CCN(Cc1cc(C)cc(C)c1O)CC1CC1	754720794	QHLTZKKINFSQLC-UHFFFAOYSA-N	305.418	3.174	10	20	DGCD	
C[C@@H](NC[C@H](O)c1ccco1)c1cc2c(cc1O)CCCC2	756382152	RMMPRJWGIQOHNC-PXAZEXFGSA-N	301.386	3.248	10	20	DGCD	
COc1ccc2c(c1)CCCN2CN1C(=O)[C@H]2CCCCC[C@@H]21	766341055	JYRCOOCTGCRGHN-WMZOPIPTSA-N	314.429	3.196	10	20	DGCD	
CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ncc[nH]1	769668753	CCLDQOOMMYFVCP-HNNXBMFYSA-N	323.400	3.093	10	20	DGCD	
O=C1N[C@H](c2c(O)cccc2Br)Nc2ccccc21	877842177	AKPPQEIRNFYMMW-CYBMUJFWSA-N	319.158	3.009	10	20	DGCD	
CC(C)C[C@H]1CCCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768463619	KNAQKBBHTFTBLD-PBHICJAKSA-N	305.418	3.219	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@@H]4CCC[C@@H]43)cc2)CC1	775660242	BAGCJBDZDROWFW-ICSRJNTNSA-N	313.489	3.203	10	20	DGCD	
CC(C)CC(=O)N1CCC(N[C@@H](C)c2c(O)cccc2F)CC1	886516744	WZYPUSDYXMVYLO-ZDUSSCGKSA-N	322.424	3.219	10	20	DGCD	
COc1cnccc1[C@H](C)NCc1ccc(N(C)C)c(F)c1	782546297	ZAKSTHMAKCNXJX-LBPRGKRZSA-N	303.381	3.146	10	20	DGCD	
CC[C@H](N[C@H](CO)C[C@H]1CCCO1)c1cccc(Cl)c1O	886670389	NWTLAAHDIXNGIK-ZOWXZIJZSA-N	313.825	3.016	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCc2ccnc(N)c2)cc1	787584927	MCCSURQSDADWCR-UHFFFAOYSA-N	321.380	3.428	10	20	DGCD	
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccc1OC	780883432	RWTQKJYNBBMMPF-AWEZNQCLSA-N	315.369	3.296	10	20	DGCD	
CCOCc1nc(C)cc(NCc2ccc(N(C)C)cc2C)n1	892564950	ZLMIYJPHBRRADY-UHFFFAOYSA-N	314.433	3.308	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c1	797458518	NCGVOTJBXBGOET-MCIONIFRSA-N	320.433	3.272	10	20	DGCD	
CC[C@@H](NCc1c(O)ccc(Cl)c1F)C1CCOCC1	790970662	MUNFTJJPALIFBB-CYBMUJFWSA-N	301.789	3.480	10	20	DGCD	
COc1cc(CN2Cc3ccccc3O[C@H](C)C2)c(O)cc1C	793780843	MQJWRBNXNBWLLS-CQSZACIVSA-N	313.397	3.492	10	20	DGCD	
CCOC(=O)[C@H](NCc1cc(Cl)cc(Cl)c1O)C1CC1	1320686390	WYLKPLRARFKQCX-GFCCVEGCSA-N	318.200	3.130	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCCNc1ncccn1	1320411708	RQBACTSIELEGHL-KBPBESRZSA-N	312.417	3.131	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2C[C@@H]2F)cc1	1337915526	GYLFTOHQYMRTLH-IRXDYDNUSA-N	316.376	3.232	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)/C=C\c1nccs1	1346622088	BMHGQQMFHPNSFV-FPLPWBNLSA-N	302.399	3.301	10	20	DGCD	
CN(C)c1ccc(CN(CCC(C)(C)C(=O)O)C2CC2)cc1	1606054063	KLASCBUOHHHCKC-UHFFFAOYSA-N	304.434	3.218	10	20	DGCD	
CCCOc1ccc(CN[C@]2(C(=O)O)CC[C@H]3C[C@@H]32)cc1C	1776819745	CRAJHUGUQBQLOK-RLFYNMQTSA-N	303.402	3.127	10	20	DGCD	
Cc1cccc(CNC[C@@](C)(O)c2ccccc2Cl)c1O	155070951	IMCMJIVGRPOARP-QGZVFWFLSA-N	305.805	3.351	10	20	DGCD	
CC[C@@](C)(O)CNCc1cc(Cl)cc(Br)c1O	708098245	FWZRNTKTHYSANU-GFCCVEGCSA-N	322.630	3.059	10	20	DGCD	
CCc1ccc(CCC(=O)NCc2cc(OC)ccc2O)cc1	114543261	YZKCAKXAALJQQM-UHFFFAOYSA-N	313.397	3.212	10	20	DGCD	
CO[C@@H](C)CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	182998521	LVVMZBUSMQBANU-INIZCTEOSA-N	318.461	3.450	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2ccccc2C#N)c1	182463431	ZLPUTZLGLWPPQY-ZDUSSCGKSA-N	312.369	3.002	10	20	DGCD	
C[C@H](NCc1ccccc1N1CCOCC1)c1ccccc1O	183459592	KNBRQQYWFQAQGM-HNNXBMFYSA-N	312.413	3.080	10	20	DGCD	
C[C@@H](Nc1ccc(OC2COC2)cc1)c1cc(F)ccc1O	188645939	VIRIUQPURNYBMB-LLVKDONJSA-N	303.333	3.482	10	20	DGCD	
COc1cc(O)c(CN2CCCC[C@@H](SC)C2)cc1OC	180763390	LGGRHUZMDXFCBO-CYBMUJFWSA-N	311.447	3.127	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](C(C)(C)C(=O)O)C2)cc1	318130031	SLYPRDCCHCGOCU-HNNXBMFYSA-N	304.434	3.075	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CC=CCC1	128030427	SIWCUDOILBKQQG-MRXNPFEDSA-N	311.429	3.218	10	20	DGCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(C)c1	189419801	BUMOJRRLGMFSBO-UHFFFAOYSA-N	321.398	3.209	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCC2(C)C)c1	78366023	CVQWCWZLKKNJSU-IAQYHMDHSA-N	306.406	3.340	10	20	DGCD	
C[C@H](NC(=O)c1cccs1)c1ccc(N2CCOCC2)cc1	145452197	VBAWHENDXLOGLM-ZDUSSCGKSA-N	316.426	3.076	10	20	DGCD	
COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OC(C)C	96019578	GKRUODFFBKZEPT-XYOKQWHBSA-N	323.439	3.313	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccco1	268819609	HACDJWSXUPOXIC-CYBMUJFWSA-N	318.392	3.231	10	20	DGCD	
CC[C@H](N[C@H](C)CN1CCCC1=O)c1cccc(Cl)c1O	287847336	WOVZGFHVUPUFOE-RISCZKNCSA-N	310.825	3.097	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCc2cncn2C)c1O	289978363	XUQZXRFHESLYIL-JTQLQIEISA-N	324.222	3.047	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(O)cc1O	282495215	MXVUTQDUGDVJNX-UHFFFAOYSA-N	315.369	3.246	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@@H](C)c1c(C)cc(C)cc1O	284297115	YKELALAXAUHOJN-JKSUJKDBSA-N	308.466	3.016	10	20	DGCD	
CCCOc1ccc(CNc2ncc(COC)s2)c(O)c1	285132622	JLNKQXWAIZCCBQ-UHFFFAOYSA-N	308.403	3.396	10	20	DGCD	
COC(=O)c1cnc(SC[C@@H](O)CCc2ccccc2)s1	295951924	ITAXGTQIKXHEIN-LBPRGKRZSA-N	323.439	3.016	10	20	DGCD	
CCOc1cccc(CN2CC(C)(C)[C@H]2c2nccn2C)c1O	294785788	LPEROBJNFWACKN-MRXNPFEDSA-N	315.417	3.108	10	20	DGCD	
CCC1(CC)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	297426859	YVUSAWWXYFKYGK-UHFFFAOYSA-N	313.445	3.394	10	20	DGCD	
Oc1ccc(F)cc1CNCCc1cc(C(F)(F)F)ccn1	293690273	QNQPTFDJCZJDEE-UHFFFAOYSA-N	314.282	3.277	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CSC(F)F	295823068	CHUPIVIUHQMADP-UHFFFAOYSA-N	303.374	3.477	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H](CO)CC2)cc1F	816666799	WNVANJRMGIUVKA-OAHLLOKOSA-N	308.441	3.266	10	20	DGCD	
CC[C@@H](NCC[C@H]1CCNC1)c1ccc(C(F)(F)F)cc1O	817955401	XPOFPIHWZMRAGO-BXUZGUMPSA-N	316.367	3.451	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)COc1ccc(Cl)c(F)c1	815796912	SHLRNNSBXHFQCB-UHFFFAOYSA-N	323.751	3.222	10	20	DGCD	
C[C@@H](NCc1nc(C(C)(C)C)n[nH]1)c1ccc(N(C)C)cc1	814632006	VPKNUUHEOUJFCL-GFCCVEGCSA-N	301.438	3.019	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)CCCC3CC3)C2)cc1	819591915	XTLUGIFCKBZWRR-INIZCTEOSA-N	316.445	3.218	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c(C)n1	817941141	JDWNRLQWZKQWGG-IFXJQAMLSA-N	312.461	3.115	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCO[C@H]4C[C@@H]43)c2C)c1	816900141	INXZHQDKYXXCGD-OALUTQOASA-N	324.424	3.324	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cc(C)nc(C)c2)c1	817589412	NMTXHDIGKCHGRK-CYBMUJFWSA-N	314.385	3.041	10	20	DGCD	
CC[C@H](NC[C@@H](C)CCO)c1ccc(C(F)(F)F)cc1O	810220905	GTBKOPDSTQEWLE-GWCFXTLKSA-N	305.340	3.470	10	20	DGCD	
CC(C)[C@@H](CO)CN[C@@H](C)c1cccc(C(F)(F)F)c1O	815626250	ZHYBNXQFEMRASP-WDEREUQCSA-N	305.340	3.326	10	20	DGCD	
Cc1cc(CN[C@@H](CCO)C2CCCCC2)ccc1N(C)C	815084289	ZZRICJTYLAQVIA-SFHVURJKSA-N	304.478	3.482	10	20	DGCD	
CC[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cn1	817942772	QVVXXSMQQGPEQI-IAGOWNOFSA-N	316.424	3.027	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(F)c2F)c1	728979526	XWSWLORAGYHECL-VIFPVBQESA-N	307.296	3.170	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OC2CC2)cc1	829863724	AFXYGQUZADQJHH-UHFFFAOYSA-N	319.382	3.043	10	20	DGCD	
CCOCCOCc1cccc(NC(=O)c2cc(O)cs2)c1	732273382	TWRKDAZYJYZYQW-UHFFFAOYSA-N	321.398	3.259	10	20	DGCD	
COC[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	838558893	HQXBWCIHLRHLDL-YOEHRIQHSA-N	319.449	3.024	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)/C=C/C2CCOCC2)cc1	732634379	ACBXACLFRYRTTP-JXMROGBWSA-N	316.445	3.132	10	20	DGCD	
CCCN(Cc1ccc(C(=O)O)s1)c1ccc(CN)cc1	903685691	YECKTMYOJRINNJ-UHFFFAOYSA-N	304.415	3.322	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)C(F)(F)F	839919790	TUZOODMRVLDBDX-NEPJUHHUSA-N	316.367	3.307	10	20	DGCD	
COc1ccc(/C=C\C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	917524473	ADFMQCDVUQOTTL-ZROIWOOFSA-N	324.424	3.433	10	20	DGCD	
COCCCOc1cccc(C(=O)Nc2ccc(N)cc2)c1C	911660244	INUBUSAWBOBTNI-UHFFFAOYSA-N	314.385	3.245	10	20	DGCD	
CC(C)NC(=O)[C@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1O	840889238	FRMJOAALPSYFBA-IUCAKERBSA-N	319.232	3.263	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C)c2cccc(OC)c2O)cn1	846147069	SGOOWUYEMYWILZ-ZDUSSCGKSA-N	316.401	3.435	10	20	DGCD	
CC[C@@H](NC(=O)NCc1cccc(OC)c1O)[C@H]1CC1(C)C	842190034	KTLOCMBHOSVIGN-CHWSQXEVSA-N	306.406	3.025	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c1	756656084	SXLRIMVJIVJYFE-GDBMZVCRSA-N	316.445	3.142	10	20	DGCD	
COC(=O)c1cnc(Sc2nccs2)cc1C(F)(F)F	753555527	WNDAHCGOHKPVRN-UHFFFAOYSA-N	320.317	3.495	10	20	DGCD	
C[C@H](N[C@@H]1CCN(CC2CC2)C1)c1cc2c(cc1O)CCCC2	756556915	XROPAQCIIFPGCY-KBXCAEBGSA-N	314.473	3.406	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)CN2CCC(C)CC2)c1	850543124	FRMAMQOPZXEFLN-CABCVRRESA-N	306.450	3.172	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C3CCCCC3)C2)c1	850537888	AVRUUCKBDNQMQE-HUUCEWRRSA-N	318.461	3.458	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN(CC2CC2)C1)c1cc(F)ccc1O	853240022	LOZBBPQQJBDKKR-ZFWWWQNUSA-N	306.425	3.304	10	20	DGCD	
CCN(CC)C(=O)CN[C@H](C)c1ccc(N2CCCCC2)cc1	765331562	FFBBSDAMEOPKST-MRXNPFEDSA-N	317.477	3.196	10	20	DGCD	
Cc1ccc(CN[C@H](c2nc(C3CC3)no2)C(C)C)c(O)c1	877149467	CQQFANPUEGDUQB-HNNXBMFYSA-N	301.390	3.448	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](OC)C2CCOCC2)cc1	876944678	OVMOLGWNCKADML-LJQANCHMSA-N	320.477	3.064	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2cc(C)ccc2F)c1O	774927442	GWCZHYUUWGIMOU-UHFFFAOYSA-N	306.293	3.369	10	20	DGCD	
CC[C@@H](NCc1cc(F)cc(C(C)=O)c1O)C1CCOCC1	776029039	UTISJPQFNYYKIO-MRXNPFEDSA-N	309.381	3.029	10	20	DGCD	
CCCCc1noc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1	775834070	OZGDNIBGGAHSDQ-ZDUSSCGKSA-N	302.422	3.329	10	20	DGCD	
c1ccc(CN2CCc3cc(CN[C@H]4CCOC4)ccc32)cc1	796338227	JIPGHBGATKOKGE-IBGZPJMESA-N	308.425	3.128	10	20	DGCD	
OCCCOc1ccc(NCc2cc(Cl)ccc2O)cc1	796522021	KEJIVZNWULTNOR-UHFFFAOYSA-N	307.777	3.419	10	20	DGCD	
CC[C@@H](NCc1ccc2c(c1)C(=O)NCC2)c1ccc(C)cc1O	794815885	IJWYAIYUTNYYEB-GOSISDBHSA-N	324.424	3.227	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cccc3[nH]ccc23)c(O)c1	797621677	ONJWDUHZKBSTJM-UHFFFAOYSA-N	311.341	3.204	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1F	1330090960	GHJWNWIUBAREEV-PXAZEXFGSA-N	310.388	3.032	10	20	DGCD	
Nc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)cc1	1352791655	YYNLXMUEMCOVCE-UHFFFAOYSA-N	310.441	3.086	10	20	DGCD	
C[C@H](NCCCCC(=O)O)c1cc(Br)ccc1O	1603248547	GVJDHNQCYYMVNX-VIFPVBQESA-N	316.195	3.060	10	20	DGCD	
CC[C@@H](OC1CCCCC1)C(=O)NCCc1ccc(N)cc1	152547252	WTIYJZVSBJARAE-QGZVFWFLSA-N	304.434	3.055	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccn1	45560310	JFVSZUDNIGMSFL-CQSZACIVSA-N	312.417	3.050	10	20	DGCD	
Cc1nc(-c2cccnc2)nc(N(C)Cc2ccccc2O)c1C	89635645	ITTYSQMOFSSSNM-UHFFFAOYSA-N	320.396	3.497	10	20	DGCD	
Oc1cc2c(cc1CNC1(c3nccs3)CCCC1)OCO2	116374137	CULVBUGEUITZCC-UHFFFAOYSA-N	318.398	3.137	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCc2ccccc2C1	117499108	PZQJWMZYAWQYFH-HNNXBMFYSA-N	324.424	3.339	10	20	DGCD	
CC[C@H]1CCC[C@H](NC(=O)NCc2cc(OC)ccc2O)C1	155126325	HUANMHULUQJYAR-JSGCOSHPSA-N	306.406	3.169	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CCCCC2(C)C)c1O	157163666	IPBZPAFXORDHOE-CQSZACIVSA-N	306.406	3.169	10	20	DGCD	
C[C@@H](c1cccc(O)c1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	181198081	WLSBKIGIRAUXJH-CRALRDPISA-N	313.353	3.036	10	20	DGCD	
CC[C@@](C)(CCO)NCc1cc(Br)cc(C)c1O	182626516	HUFUAPKUSRXFJA-AWEZNQCLSA-N	316.239	3.104	10	20	DGCD	
CC[C@@H]1C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1	184058550	ITCCMSSJLIQIKD-LSDHHAIUSA-N	317.429	3.092	10	20	DGCD	
Cc1cccc([C@H](O)CN[C@@H](C)c2ccc(F)c(F)c2O)c1	187798197	HFQZIYWHHRVICV-XHDPSFHLSA-N	307.340	3.363	10	20	DGCD	
Cc1cccc([C@@H](O)CN[C@@H](C)c2ccc(F)c(F)c2O)c1	187798217	HFQZIYWHHRVICV-NHYWBVRUSA-N	307.340	3.363	10	20	DGCD	
CC(C)[C@@H](O)C(C)(C)CN[C@H](C)c1ccc(F)c(F)c1O	187805603	RYFVRBFAIPIMIO-MEBBXXQBSA-N	301.377	3.364	10	20	DGCD	
CC1(C)C[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12	269859183	RBTHQLGNBCMAAF-GFCCVEGCSA-N	306.369	3.381	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc([C@@H]2CCOC2)c1	270629331	IEQUGFYQMGJWRY-QGZVFWFLSA-N	311.381	3.168	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@H](CO)Cc2ccc(F)cc2)c(O)c1	284975052	FWEVTFBMXSXRGN-YOEHRIQHSA-N	317.404	3.402	10	20	DGCD	
CC[C@H](C)[C@@H](CNCc1cc(Cl)cc(OC)c1O)OC	381338134	AXGTXBWHFDFFIO-IINYFYTJSA-N	301.814	3.205	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)C1CCC1	410530673	BYXYATDUKHMAMX-UHFFFAOYSA-N	302.418	3.304	10	20	DGCD	
CN(Cc1cccc(Cl)c1)C(=O)/C=C\c1ccc(O)c(O)c1	588403526	NECPMZMGZBVASL-VURMDHGXSA-N	317.772	3.423	10	20	DGCD	
CCN(Cc1ccccc1C)C(=O)/C=C\c1ccc(O)c(O)c1	588405360	FZKARKHMIMRJJM-LUAWRHEFSA-N	311.381	3.468	10	20	DGCD	
O=C(C=C(C1CC1)C1CC1)NCCCSc1nccs1	733975035	VSMILRWMYKAFQE-UHFFFAOYSA-N	308.472	3.488	10	20	DGCD	
Cc1ccncc1C(=O)NCc1ccc(N2CCCCC2)cc1	742056802	DVGLXWQQCDMSMB-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2O)ccc1Cl	748344867	DPLVVNIAIPLTLD-LBPRGKRZSA-N	319.788	3.438	10	20	DGCD	
CN(C)c1ccc(CN[C@H](C(=O)O)c2ccc(Cl)cc2)cc1	756333481	RGAUVTPSEXBKSZ-INIZCTEOSA-N	318.804	3.322	10	20	DGCD	
CC1([C@@H](NCc2ccc3c(c2)CCO3)C(=O)O)CCCCC1	756380043	DPSZXMXBRQJHTD-INIZCTEOSA-N	303.402	3.135	10	20	DGCD	
Cc1n[nH]cc1CCCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	756398431	GADXJZYNODZKHP-HZMBPMFUSA-N	303.381	3.334	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1cc(Br)ccc1O)C(C)C	756628585	WISXNNGTXOWHFM-YGRLFVJLSA-N	316.239	3.476	10	20	DGCD	
C[C@H](NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccccc1O	760040454	KHYRGGQCVNAZLB-IXDGSTSKSA-N	315.388	3.348	10	20	DGCD	
CN(CCC1CCCCC1)Cc1cc2c(cc1O)OC[C@@H]2O	768443244	BVDSGYVSECKSHG-KRWDZBQOSA-N	305.418	3.220	10	20	DGCD	
C[C@@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(N(C)C)cc1	773080756	NCESALLWRYLRBC-NVXWUHKLSA-N	318.461	3.131	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@H](CC)c1cc(Cl)ccc1O	775488556	IXKGPXXSJCDUEZ-SMDDNHRTSA-N	312.841	3.391	10	20	DGCD	
CC[C@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N(C)C)c(F)c1	793281425	QMDXOEFENXRIKA-DZGCQCFKSA-N	324.440	3.085	10	20	DGCD	
COc1ccc(CNCc2cnc(-c3ccco3)s2)c(O)c1	793386229	JGASUQPXCBJPAH-UHFFFAOYSA-N	316.382	3.407	10	20	DGCD	
C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@H](C2CC2)O1	794661320	ZCRXWSVQQYBNAG-ORAYPTAESA-N	301.430	3.270	10	20	DGCD	
COc1cc(O)c(CN2CCc3cccc(F)c32)cc1OC	809767025	FFFWJWUSBVISNV-UHFFFAOYSA-N	303.333	3.111	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cc(C(N)=O)cs1	811508441	QGDXDTPGPXNBHJ-UHFFFAOYSA-N	316.426	3.199	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](O)C23CCCC3)cc1	816630968	ZDROPKNGNSMHDI-SFHVURJKSA-N	302.462	3.412	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1F	817938909	VJRQUPQGMVRSTA-SCLBCKFNSA-N	301.409	3.242	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(C(F)(F)F)CCC1	825873911	QJGLNQVFAIAQNQ-UHFFFAOYSA-N	314.351	3.410	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C)c1ccccc1O	827940480	DPGVMFGVVPHELE-OUCADQQQSA-N	303.402	3.211	10	20	DGCD	
CC[C@H](CC(F)(F)F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	828884357	AIQREVDXKCPABK-GXSJLCMTSA-N	319.323	3.124	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCC3(N)CCC3)c2C)c1	831550325	VOQWQHSSKARDOI-UHFFFAOYSA-N	311.429	3.014	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2ccc3c(c2)CCCN3C)[C@H]1SC	838918639	UAMPLBXTFFWAAM-KBAYOESNSA-N	320.502	3.068	10	20	DGCD	
CC1(C)C[C@H](C(=O)NCc2ccccc2O)c2ccccc2O1	839612484	PXBMSQKIKXQFFP-HNNXBMFYSA-N	311.381	3.353	10	20	DGCD	
CC[C@H](C)N(C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840488742	NGSUBGYADBFRRE-GJZGRUSLSA-N	305.466	3.432	10	20	DGCD	
CCO[C@H]1C[C@@H](N[C@@H](C)c2ccc(Br)cc2O)C1	840764632	WVCQRBCFIJDZJX-ZMLRMANQSA-N	314.223	3.373	10	20	DGCD	
CC[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Br)cc1O	840822457	UVWKCZLGDHUKMW-IUPBHXKESA-N	314.223	3.373	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)CCn4cccn4)ccc31)CCCC2	843018951	HWQVALMOWVSDSB-UHFFFAOYSA-N	323.396	3.249	10	20	DGCD	
CCc1cccc(CN2CCN(c3ncc(C)s3)CC2)c1O	848887415	VWTPNOVOGSFRCP-UHFFFAOYSA-N	317.458	3.042	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c1	858147929	DWWFATQLFPVJOK-IUODEOHRSA-N	314.385	3.416	10	20	DGCD	
Cc1cccc(O)c1CNCC1CCN(c2ccncc2)CC1	877136186	BBVYRMVZSFCHJZ-UHFFFAOYSA-N	311.429	3.102	10	20	DGCD	
Cc1ccc(CN[C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c(O)c1	877190147	XIOSAQSYPRZERD-DOTOQJQBSA-N	302.462	3.443	10	20	DGCD	
CCc1cccc(CN2CC[C@@H](OCc3ccccn3)C2)c1O	877645135	BMJYBGZFCOGVNI-GOSISDBHSA-N	312.413	3.141	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCC[C@@H](O)C1CCCC1	877778660	QCACLSHIAVLRHO-CQSZACIVSA-N	301.789	3.216	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCC(=O)[C@@H]1C	885039811	QSDLAQQWTYKBGD-ZDUSSCGKSA-N	316.426	3.349	10	20	DGCD	
C[C@]12CN(C(=O)/C=C\c3ccc(O)c(O)c3)C[C@H]1[C@H]1CC[C@@H]2C1	887883490	OZIXRAFOCOYPJC-GBWOQRIASA-N	313.397	3.006	10	20	DGCD	
COc1ccccc1NC[C@@H](O)CCOCc1ccccc1	905301859	WTWUZGXFKHNFDS-INIZCTEOSA-N	301.386	3.075	10	20	DGCD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)N(C)Cc2ccccc2O)o1	918077978	KWLWZBLOXMOHMT-SWLSCSKDSA-N	314.385	3.450	10	20	DGCD	
Cc1noc(CCCN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)n1	1116569022	YCLCYRLYWSUSFG-WCQYABFASA-N	301.390	3.163	10	20	DGCD	
Cc1cc(O)c(CN(CCN)Cc2ccccc2)cc1Cl	1236523717	IHLJRSRQKDCHHT-UHFFFAOYSA-N	304.821	3.315	10	20	DGCD	
CCC(CC)(CCO)NCc1cc(F)c(N(C)C)cc1F	1261788830	KOBPAZKYQAWYHR-UHFFFAOYSA-N	300.393	3.062	10	20	DGCD	
Cc1nccn1C[C@@H](C)CNCc1ccc(N2CCCC2)cc1	1321650993	RUQWAAJLISPWDS-INIZCTEOSA-N	312.461	3.218	10	20	DGCD	
C[C@@H]1CCC[C@H](OCC(=O)Nc2c(Cl)ccc3nonc23)C1	1342950599	HLIMKWBZXMECBR-ZJUUUORDSA-N	323.780	3.410	10	20	DGCD	
C[C@@H](NC/C=C/C1CC1)c1ccc(N2CCOCC2)c(F)c1	1347669229	VPMNSPYDSCEFDZ-BAABZTOOSA-N	304.409	3.279	10	20	DGCD	
Cc1cc(CN[C@@H](C(=O)O)c2ccc(F)cc2)ccc1N(C)C	1574330221	OZMBIFYYLGJTQN-QGZVFWFLSA-N	316.376	3.116	10	20	DGCD	
C[C@@H](Oc1ccccc1CN[C@H](C)c1ccccc1O)C(=O)O	1593647928	DWIKOTIZDVHQGA-CHWSQXEVSA-N	315.369	3.095	10	20	DGCD	
O=C(O)COCC(=O)Nc1ccc(N=Nc2ccccc2)cc1	1602078422	LJHCEADGYCBVBU-UHFFFAOYSA-N	313.313	3.142	10	20	DGCD	
C[C@H](N[C@H](C1CC1)C(F)(F)F)c1cc(C(=O)O)ccc1O	1609779414	ZJQMFOKGBKAPGO-JVXZTZIISA-N	303.280	3.082	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(Cl)c1	42035181	BSASOVZYZQEVPM-UHFFFAOYSA-N	317.820	3.463	10	20	DGCD	
C[C@@H](Nc1cccc(F)n1)c1ccc(N2CCOCC2)cc1	65280448	SREGZJMMWDPJAF-CYBMUJFWSA-N	301.365	3.230	10	20	DGCD	
Cc1csc([C@H](NC(=O)NCc2ccccc2O)C2CC2)n1	73939504	VCFJSVZIDBVGRC-CQSZACIVSA-N	317.414	3.108	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cccnc1	112536848	XCHZQODFEIIBPO-CVEARBPZSA-N	311.429	3.330	10	20	DGCD	
C[C@@H]1CN(Cc2cccc(Br)c2O)CC(C)(C)O1	133108969	NJOBRJMUWYOBBU-SNVBAGLBSA-N	314.223	3.154	10	20	DGCD	
Cc1cc(C(=O)N2CCS[C@H](C)C2)c(C)n1-c1ccccn1	171571949	TZXVCAODXGKPRV-CYBMUJFWSA-N	315.442	3.067	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)c2cc(C)oc2C)c1O	174397599	LBELJAGDYZXCLA-LLVKDONJSA-N	318.373	3.171	10	20	DGCD	
C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1C	178562497	CWYZXHYYTOIFNT-LSDHHAIUSA-N	301.434	3.227	10	20	DGCD	
CN(Cc1ccccc1O)C[C@@H]1CCN(Cc2ccccc2)C1	179573792	YGOILMACGLRJJD-SFHVURJKSA-N	310.441	3.346	10	20	DGCD	
C[C@H](NCCCn1ccnc1)c1cc(Br)ccc1O	181006832	CEAJBCPEAFROMD-NSHDSACASA-N	324.222	3.092	10	20	DGCD	
C[C@H](NC[C@@H](C)N1CCc2ccccc2C1)c1ccccc1O	183455726	NVHOTRRHDOFQAY-CVEARBPZSA-N	310.441	3.490	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1O	186189721	WWABCROATLMCJR-APPDUMDISA-N	307.340	3.229	10	20	DGCD	
C[C@H](NCC[C@@](C)(O)c1ccccc1)c1cc(F)ccc1O	187904734	KZCGWMMDDDTUOU-SCLBCKFNSA-N	303.377	3.480	10	20	DGCD	
CC(=O)CC(C)(C)CC(=O)NCc1ccc(N2CCCC2)cc1	191736694	XKZMGNCDTXCKTE-UHFFFAOYSA-N	316.445	3.298	10	20	DGCD	
CC(C)Oc1ccc([C@@H](C)NC(=O)c2cccc(O)c2O)cc1	192975735	AVPOMQKEUWYTOD-GFCCVEGCSA-N	315.369	3.376	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1nc(Cl)cs1	270414380	JCZYFVBWABVKHS-VURMDHGXSA-N	313.835	3.253	10	20	DGCD	
CCCN(Cc1cccc(O)c1OC)c1ccc(CN)cc1	278306723	DWKKFWUTLUPMPM-UHFFFAOYSA-N	300.402	3.276	10	20	DGCD	
CCCNC(=O)CN[C@@H](CC)c1cc(Cl)cc(Cl)c1O	286795426	AAYYNMZSVDRBKP-LBPRGKRZSA-N	319.232	3.266	10	20	DGCD	
COc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c(F)cn1	287561173	GFCHGJJPQCUBEH-LLVKDONJSA-N	321.371	3.285	10	20	DGCD	
COc1cccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1O	290617036	XALJGZJMEUELAM-CQSZACIVSA-N	301.390	3.078	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1	290784435	NJYIKLCFOHBHKM-INIZCTEOSA-N	301.434	3.083	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1occc1N	313146440	OMNVDHXBRAEGTO-UHFFFAOYSA-N	313.401	3.124	10	20	DGCD	
Cc1cc(C)n(CCN(Cc2ccc(N(C)C)cc2)C2CC2)n1	731751868	HLYSTQPNBSZMBE-UHFFFAOYSA-N	312.461	3.231	10	20	DGCD	
COCCN(Cc1ccc(C)cc1C)C(=O)c1cc(O)cs1	732268287	GBIQMKJWQPXZTH-UHFFFAOYSA-N	319.426	3.359	10	20	DGCD	
Cc1cc(C(=O)OCCCOC(C)C)c(C)n1-c1ccccn1	733434929	GOKUANBNEXPIRT-UHFFFAOYSA-N	316.401	3.461	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1C[C@H]1c1c(F)cccc1F	734942816	QFOPJQTYXSFJMS-RISCZKNCSA-N	318.323	3.026	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2Cc3ccccc32)cc1	741907733	WMUBNLWZCQVTBP-IBGZPJMESA-N	308.425	3.489	10	20	DGCD	
COc1ccc([C@@H](C)CCNC(=O)c2cc(O)cs2)cc1	743628496	ROEFNBYEDPSJDC-NSHDSACASA-N	305.399	3.386	10	20	DGCD	
CS[C@H](CNC(=O)N(C)Cc1ccccc1O)C(C)(C)C	753282965	GFRFTKLBVXYAQO-CQSZACIVSA-N	310.463	3.311	10	20	DGCD	
C[C@@H]1CSc2ccccc2N(C(=O)/C=C\c2cnn(C)c2)C1	754370580	DGMXOTJMVMVHRO-WSROAFLRSA-N	313.426	3.208	10	20	DGCD	
C[C@H](N[C@H](C)CCO)c1cc(Br)cc(Cl)c1O	756592394	HYOCRAZIHIYRFN-SFYZADRCSA-N	322.630	3.230	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CCCCN2C(C)C)c1	756763125	YZRYWCLGIPQEHA-HUUCEWRRSA-N	306.450	3.314	10	20	DGCD	
C[C@H](Nc1cccc2c1oc(=O)n2C)c1ccc(F)cc1O	756856484	QSKDPIDKQBTYHB-VIFPVBQESA-N	302.305	3.149	10	20	DGCD	
C[C@@H](NC[C@@H]1COCCO1)c1ccc(N2CCCCCC2)cc1	765248652	AIKSKBNOPUSBRS-VQIMIIECSA-N	318.461	3.133	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC2(CO)CCC2)c1C	767891879	WBSIDUMYSKLQBN-UHFFFAOYSA-N	312.413	3.047	10	20	DGCD	
COc1cc(CN2CCCN(C(C)(C)C)CC2)c(O)cc1C	768446376	WZPFILATNBGUGR-UHFFFAOYSA-N	306.450	3.015	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1C	769325783	BCMTVDBBKRYIRI-HNNXBMFYSA-N	305.418	3.315	10	20	DGCD	
C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1ccccc1O	775969633	YMONDFKVLIQLKS-ZIAGYGMSSA-N	320.433	3.222	10	20	DGCD	
C[C@@H]1[C@@H](C)N(Cc2ccc(N3CCCCC3)cc2)CCN1C	775986217	PYYNKKTYMBBSCS-IAGOWNOFSA-N	301.478	3.201	10	20	DGCD	
C[C@H](NCC1=CCN(C)CC1)c1cccc(C(F)(F)F)c1O	788692752	PURYQPKLMQOKQM-NSHDSACASA-N	314.351	3.324	10	20	DGCD	
CC(=O)N1CCC(N[C@H](C)c2cc(Cl)cc(C)c2O)CC1	808673070	WLDIEWFUUUHBAI-LLVKDONJSA-N	310.825	3.016	10	20	DGCD	
C[C@]1(O)CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809593643	PSEZHDCLXIBFKV-NRFANRHFSA-N	322.452	3.206	10	20	DGCD	
OCCCN(Cc1ccccn1)Cc1ccc2ccccc2c1O	816611356	NWIQPSLKGACGDI-UHFFFAOYSA-N	322.408	3.325	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@]2(C)CC2(F)F)C2CC2)cc1	817427188	JHLNKMZZHASRHJ-INIZCTEOSA-N	308.372	3.289	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl	824769691	XXRCXJJOJYCTHE-DGCLKSJQSA-N	323.742	3.242	10	20	DGCD	
Oc1cc(Br)ccc1CNc1cnn(CC2CC2)c1	825384942	MPPHKIBWAOXLCJ-UHFFFAOYSA-N	322.206	3.373	10	20	DGCD	
CC[C@H](NCc1ccc(Br)cc1O)[C@@H](O)C(C)C	826120787	JBZRNFZTCFQHOT-JSGCOSHPSA-N	316.239	3.040	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)c1	827166126	FQDRSHWYSLNNPI-ZWKOTPCHSA-N	324.424	3.187	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(N)c2)cc1	827341031	QLWXIFNMSBJNTF-UHFFFAOYSA-N	311.429	3.353	10	20	DGCD	
CCN(C)[C@H](C(=O)N[C@H](C)c1ccccc1O)c1ccccc1	827931140	ZUJHDTIMXDPTEE-KDOFPFPSSA-N	312.413	3.262	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CNC2	828144571	GBYZCPBFMPHQGV-UHFFFAOYSA-N	310.397	3.048	10	20	DGCD	
Cc1cc(CN[C@@H](C)[C@H]2CCOC2)ccc1N1CCCCC1	828846626	MCLSRYKJBRBYRV-WMZOPIPTSA-N	302.462	3.500	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C[C@]1(O)CCc2ccccc21	829376134	MPAXYNVJINBARN-HXUWFJFHSA-N	310.441	3.018	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1cc(C)n(C)n1	840894179	PMRBZZJMHGIMHV-ZBFHGGJFSA-N	314.477	3.385	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C)[C@@H](CN)C2)cc1F	841100819	KXAPIIJVYUAAKJ-ZBFHGGJFSA-N	307.457	3.089	10	20	DGCD	
COc1ccc2c(c1)CCCN(C(=O)Nc1ccc(N)cc1)C2	841299893	JNXZNTAYYYDRRP-UHFFFAOYSA-N	311.385	3.258	10	20	DGCD	
CCN(CC)[C@@H](CNC(=O)Nc1ccc(N)cc1)CC(C)C	841302205	OXAWHXLCMHWCLI-MRXNPFEDSA-N	306.454	3.147	10	20	DGCD	
C[C@H](CCc1ccccc1)NC(=O)NCCc1ccc(N)cc1	841613370	ZRYYASVSUFGRBO-OAHLLOKOSA-N	311.429	3.132	10	20	DGCD	
C[C@H](NC1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1O	841746158	VTFCMXUZBUEGBE-NSHDSACASA-N	322.836	3.097	10	20	DGCD	
COc1cc(O)c(CN2CCSC[C@@H]2C2CCC2)cc1OC	841893046	CQJQNLJHGREZHM-CQSZACIVSA-N	323.458	3.127	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3[C@H](C2)C3(F)F)cc1	844996223	URNKUAVLFZJJAA-HOTGVXAUSA-N	316.351	3.431	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H]3[C@H](C2)C3(F)F)c(C(F)(F)F)c1	846114389	UZTMSUFSRSACAO-STQMWFEESA-N	320.305	3.468	10	20	DGCD	
CCc1cccc(CN[C@H](Cn2ccnc2)C(C)(C)C)c1O	848895101	QQXYBHPHSRJRLA-MRXNPFEDSA-N	301.434	3.356	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](CN)CC(C)C)cc1	852789463	GPBLIGNHDDPGHU-KRWDZBQOSA-N	319.493	3.160	10	20	DGCD	
CN(C[C@H]1CC1(C)C)C(=O)NCCCSc1nccs1	853858100	KUUOFLGEMAXWPS-LLVKDONJSA-N	313.492	3.313	10	20	DGCD	
CNC[C@@H](C)N[C@@H](C)c1cc(Br)cc(Cl)c1O	854232449	QDEZLMZXQQHKJK-SFYZADRCSA-N	321.646	3.067	10	20	DGCD	
CCn1ccnc1[C@H](C)NCc1cc(F)c(N(C)C)cc1F	858172212	MYYJUEYWZJFZEI-NSHDSACASA-N	308.376	3.098	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2cnn(C(C)C)c2)c1	858213939	HDIYLBSXOHWDOB-ZDUSSCGKSA-N	316.405	3.038	10	20	DGCD	
CS[C@H](CNC(=O)NCc1cc(C)ccc1O)C(C)(C)C	858357697	JSCPHTDASBMCNU-CQSZACIVSA-N	310.463	3.278	10	20	DGCD	
CCN(Cc1ccc(N2CCC(O)CC2)cc1)CC1CCC1	877492358	WTNAKBDTMTYCBZ-UHFFFAOYSA-N	302.462	3.270	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)c1c(O)cccc1F	886553437	NFSUDLPDIWEGCV-DCGLDWPTSA-N	303.377	3.174	10	20	DGCD	
CC(C)[C@H](CN[C@H](C)c1c(O)cccc1F)c1ccnn1C	886599314	WDUVWGNIUVACRC-OLZOCXBDSA-N	305.397	3.355	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@H](c2ccncc2)C1)c1c(O)cccc1F	886620132	CJMSTNKOUMCJHN-JDFRZJQESA-N	316.376	3.497	10	20	DGCD	
CC(C)[C@@H]1N(Cc2cc(F)cc(F)c2O)CC12CCOCC2	894999570	UXQSXKRBHGSKSF-INIZCTEOSA-N	311.372	3.307	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C\Cl	899050408	BZSBEUAZLLMIFO-YHYXMXQVSA-N	309.841	3.425	10	20	DGCD	
Cc1ccc([C@@H](C)NCC2(NC(=O)OC(C)(C)C)CC2)c(O)c1	903240531	ZPSBTBPIKRHHET-CYBMUJFWSA-N	320.433	3.409	10	20	DGCD	
CC[C@@H](NC[C@H]1CCCN1CC(F)(F)F)c1ccccc1O	926923801	YUQHUTXIHLUGKP-TZMCWYRMSA-N	316.367	3.460	10	20	DGCD	
CCOCCOCCN[C@H](C)c1ccc2ccccc2c1O	927087141	KUJDYUDOYCWUEO-CQSZACIVSA-N	303.402	3.249	10	20	DGCD	
C[C@H]1CCN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2S1	929691122	YMVJLKSZPDFQMM-GWJCSSMESA-N	313.426	3.351	10	20	DGCD	
CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N)cc2)C1	1120676853	DXQMYLICLMUBKX-LSDHHAIUSA-N	307.463	3.084	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@H](C)NC(=O)CC(C)C)cc1C	1133591353	VQVISDJWQAWAKI-CVEARBPZSA-N	320.477	3.423	10	20	DGCD	
Cc1cc(-c2nnc(CN(C)C)o2)c(C)n1-c1ccc(F)cc1	1324178500	OLIMRRBPHOMBIN-UHFFFAOYSA-N	314.364	3.345	10	20	DGCD	
COc1ccc(F)c(NCc2ccc(N3CCCC3)cc2)n1	1327181659	GGOWEGUSYZEAIV-UHFFFAOYSA-N	301.365	3.442	10	20	DGCD	
FC(F)(Br)CNCc1ccc(N2CCCC2)cc1	1329493898	AAWVCYDVGBEQFA-UHFFFAOYSA-N	319.193	3.364	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N(C)c1cccc2c1CCCN2	1338984627	WSBLAJVHUQUHLL-HJWRWDBZSA-N	313.426	3.486	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@H](C)S[C@@H](C)C1	1340026816	TZAKARUFRXSRPH-UWVGGRQHSA-N	324.475	3.062	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CNc2ccccc21)c1ccc(N(C)C)cc1	1576189792	VCILKPYTXFKCIR-SUMWQHHRSA-N	309.413	3.139	10	20	DGCD	
COc1cccc(-c2noc([C@@H](C)NCc3ccc(N)cc3)n2)c1	1579255362	SYPOXSCKCHCBGO-GFCCVEGCSA-N	324.384	3.178	10	20	DGCD	
C[C@@H](NCCc1c[nH]c2ccccc12)c1cc(C(=O)O)ccc1O	1593276196	XYSVYPMSCQVHTP-GFCCVEGCSA-N	324.380	3.465	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N(CCC(=O)O)c1ccccc1C	1600604313	CNRQFDKBGJHZQJ-FPLPWBNLSA-N	324.380	3.220	10	20	DGCD	
CCOc1cccc(CN(C)[C@H](C(=O)O)c2ccccc2)c1O	1605705464	WJODMVNQJXRMFD-INIZCTEOSA-N	315.369	3.049	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)c2ccsc2)c(C)c1	1776857096	KZIOKLMTJMOPKA-INIZCTEOSA-N	318.442	3.428	10	20	DGCD	
C/C=C(\C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	176283156	LTCCUHFBCIKOFQ-QQFGACLNSA-N	324.371	3.339	10	20	DGCD	
COc1cccc(CNC(=O)c2ccccc2OC(C)C)c1O	106285328	PQLWQADQLGWYEQ-UHFFFAOYSA-N	315.369	3.118	10	20	DGCD	
CCCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	103413760	WVDOPTMKMYMFRO-UHFFFAOYSA-N	302.340	3.444	10	20	DGCD	
C[C@H](CNCc1ccc(N2CCCCC2)cc1)Cn1ccnc1	62254702	ZTTXHFFFSPYWHI-QGZVFWFLSA-N	312.461	3.299	10	20	DGCD	
CS[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccccc2O)C1	117508153	KJWYQQBESOLTLN-UONOGXRCSA-N	308.447	3.208	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C)CCCC1	66600345	GTXFHLSORFXBAI-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cnc1Cl	128255450	CPMCDHAYZLYVBV-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
C[C@@H](Cc1ccccc1Cl)NC(=O)Cc1ccc(N)cc1	37012710	WYPOYHBMNPOVFT-LBPRGKRZSA-N	302.805	3.212	10	20	DGCD	
COc1cc2c(cc1OC)CN(Cc1cccc(C)c1O)CC2	183507711	FISQCMHKXYDREP-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccccc1O	183649071	BHIVBPBJYDLDPO-CYBMUJFWSA-N	314.385	3.032	10	20	DGCD	
CCOC(=O)C1CCC(NCc2cc(Cl)ccc2O)CC1	37788135	BYIVRHWQHWPDQI-UHFFFAOYSA-N	311.809	3.257	10	20	DGCD	
CCOC(=O)N1CCC(N[C@H](C)c2ccc(N(C)C)cc2)CC1	123847364	JPTNQXAQUMSWJR-CQSZACIVSA-N	319.449	3.024	10	20	DGCD	
C[C@H](c1ccc(F)cc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	180612243	LZMUWIGFKXUZPG-LHJMJDNXSA-N	315.344	3.470	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](CCO)c2ccco2)c1O	185125883	FVVNGOGHSBKQEP-AWEZNQCLSA-N	323.776	3.055	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2C[C@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1	323778021	ZJLOOBHHCLWESZ-IRQMKAKQSA-N	316.357	3.319	10	20	DGCD	
Cn1cc(CN2CCCc3cc(OC(F)(F)F)ccc32)cn1	195072746	UKSRDPYFNSZQOG-UHFFFAOYSA-N	311.307	3.272	10	20	DGCD	
COc1ccc(O)c(CNCCCc2ccc3c(c2)CCO3)c1	193295480	PTZSEXCTJVQNAU-UHFFFAOYSA-N	313.397	3.058	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])o1	282616004	ZJWDDWBMMJBSFG-UHFFFAOYSA-N	318.329	3.336	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CCC[C@H]4C[C@H]43)cc2F)CC1	800967837	ASUWBRVGJKRXTE-LESCRADOSA-N	318.436	3.065	10	20	DGCD	
C[C@@H](NC(=O)NC[C@H]1CCCSC1)c1ccc(N(C)C)cc1	807141362	RTRISJMNAXXUMW-ZIAGYGMSSA-N	321.490	3.256	10	20	DGCD	
CCc1nnc(CN[C@@H](CC)c2ccc(N(C)C)cc2)s1	810259124	BSNSSXXBUKQYTL-AWEZNQCLSA-N	304.463	3.407	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cnc3ccc(C)cn23)c1	813332092	ZYXCXJNYFWPSCN-CYBMUJFWSA-N	311.385	3.208	10	20	DGCD	
CC(C)[C@@]1(CO)CCCN(Cc2cc(Cl)c(F)cc2O)C1	816662579	SBRIQYCSUSYCKH-INIZCTEOSA-N	315.816	3.415	10	20	DGCD	
CCC(CC)(CC(=O)OC)NCc1ccc(N(C)C)c(C)c1	815073454	NOZDLYXTELSEOF-UHFFFAOYSA-N	306.450	3.273	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCN1	817894290	LEIRYSHWIKUNEA-CEXWTWQISA-N	301.478	3.071	10	20	DGCD	
CO[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)CC1(C)C	824820212	BNQCTBSUTDALPC-ZDUSSCGKSA-N	301.789	3.432	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C\c2scnc2C)c(OC)c1	492653729	RWDBGBXNFFCJJB-FPLPWBNLSA-N	318.398	3.145	10	20	DGCD	
CCOc1ncc(C)cc1NCc1cc(OC)c(OC)cc1O	824522403	WBTXALJYMOELCN-UHFFFAOYSA-N	318.373	3.124	10	20	DGCD	
CC(C)CNC(=O)c1ccccc1NC(=O)c1cc(O)cs1	820573070	PTPGZFIERXNKNP-UHFFFAOYSA-N	318.398	3.092	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H](OC)C2CCCC2)c1O	827608446	NEVJLMOGJOBKRC-HNNXBMFYSA-N	313.825	3.349	10	20	DGCD	
C[C@H](CN(Cc1ccc(N2CCCCC2)cc1)C1CC1)C(=O)O	901993239	JGMJKRGDRAMPDW-OAHLLOKOSA-N	316.445	3.362	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)c2nc(C)cs2)c1	830541214	VFAFSUQBEZLNSD-GHMZBOCLSA-N	320.414	3.147	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cn1	839915348	DVIOWCJGGYLDQN-HNNXBMFYSA-N	311.429	3.125	10	20	DGCD	
Fc1cc(CNc2cc(Cl)ccn2)ccc1N1CCOCC1	905414869	OWVPIESHKRPKIO-UHFFFAOYSA-N	321.783	3.323	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2C=CC[C@H](C(=O)O)C2)cc1	904036196	KJZMLFMFAPQSNB-HOTGVXAUSA-N	302.418	3.042	10	20	DGCD	
C[C@H](OC(=O)c1cc(O)cs1)c1nc(O)c2ccccc2n1	731909222	DAMILFQWBCQHKQ-QMMMGPOBSA-N	316.338	3.021	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1	843417037	OHUYYSQTPRAXGP-KGLIPLIRSA-N	322.449	3.482	10	20	DGCD	
CCCn1ncnc1CN(C)c1ccc(-c2nccs2)cc1	846997858	ZPTIFROYBXIFQA-UHFFFAOYSA-N	313.430	3.448	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@@H]2c2ccccc2)cc1	841961606	FZMHOWIMXKYSBN-GOSISDBHSA-N	309.413	3.358	10	20	DGCD	
C[C@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(F)cc1O	848558128	JUODOSFDTFWGBD-ZBEGNZNMSA-N	314.360	3.135	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H]1c1cccc(F)c1)OCO2	743388441	DNQCMDVEZWKENY-AWEZNQCLSA-N	301.317	3.207	10	20	DGCD	
C[C@@H]1CCC[C@H](OCC(=O)NCc2cc(Cl)ccc2O)C1	846477940	XVUNOYNIOKVRTL-RISCZKNCSA-N	311.809	3.257	10	20	DGCD	
CC(C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	744451759	VTPYGEGZYOPXNQ-MRXNPFEDSA-N	303.450	3.330	10	20	DGCD	
CN(C)Cc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1	857547436	DGIRYXHODRMVTF-UHFFFAOYSA-N	318.804	3.037	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCOC2CCCCC2)c1	756491594	WIKJQEIASAMBLT-CYBMUJFWSA-N	321.417	3.179	10	20	DGCD	
C[C@@H](NCC1(N)CCCC1)c1ccc(Br)cc1O	854224358	VNJFQVPZAWZAOR-SNVBAGLBSA-N	313.239	3.077	10	20	DGCD	
C[C@@H]1C[C@H](NCCCN2CCCCC2=O)c2c(O)ccc(F)c21	756553594	GYFSNNDIUQZLOE-OCCSQVGLSA-N	320.408	3.072	10	20	DGCD	
COc1ccc2c(c1)[C@@H](C(=O)NCc1cc(C)ccc1O)CC2	862757568	YUOFVYUJMVCRLQ-INIZCTEOSA-N	311.381	3.055	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)CC(=O)OC(C)(C)C)c1	1116568788	USUJSJIZOSTUGG-NWDGAFQWSA-N	309.406	3.172	10	20	DGCD	
CCCCN(C)C(=O)C1CCN(Cc2c(C)cccc2O)CC1	876621501	AOADSIYXDIOSOO-UHFFFAOYSA-N	318.461	3.171	10	20	DGCD	
CCN(C)c1ccc(CN(C)Cc2ccc(O)c(OC)c2)cc1	773758800	UJLVUSBBRQKFCQ-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
Cc1ccc(C(=O)OCc2ccc3ncccc3c2)c(O)c1O	770360380	UAICNRYVLUGRDO-UHFFFAOYSA-N	309.321	3.311	10	20	DGCD	
CC1CCC(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)CC1	775835399	YBLISCHSOYAJIX-ISXOHVOVSA-N	317.477	3.098	10	20	DGCD	
COc1ccc(O)c(CN2CCN(CC3CCCCC3)CC2)c1	775647929	IAZIMGPCSUEMDQ-UHFFFAOYSA-N	318.461	3.099	10	20	DGCD	
CCOc1ccc(O)c(CN2CCOc3cc(F)ccc32)c1	789571283	MLYUYEWSTRHSNN-UHFFFAOYSA-N	303.333	3.329	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)[C@@H](O)c2ccc(C)cc2)c1O	894747775	NOHPANYRAPBQDK-RDTXWAMCSA-N	315.413	3.229	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](C)[C@H](OC)c2ccccc2)c1	786861289	UIMNOVUOKUGHEF-UGSOOPFHSA-N	301.386	3.267	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](c2cccs2)N(C)C)c1O	894383287	FCJWBPQFHPFAEY-CQSZACIVSA-N	320.458	3.163	10	20	DGCD	
Oc1ccccc1CN(CC[C@@H]1CCOC1)Cc1ccco1	783498971	YNXBWPZGMIFVMI-OAHLLOKOSA-N	301.386	3.414	10	20	DGCD	
CCCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	891252138	GTTFVJXIUISCHD-KRWDZBQOSA-N	305.466	3.052	10	20	DGCD	
COc1ccc(CNCc2cc(C)cc(OC)c2O)cc1OC	894145447	LDVPIPIGQIYILW-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
COCCCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F	792795955	LFMIKVRIWROAFX-UHFFFAOYSA-N	304.356	3.240	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2c(O)ccc(Cl)c2F)C[C@H]1C	792164630	AVSOHJBHSCFREJ-NEPJUHHUSA-N	314.832	3.489	10	20	DGCD	
CCN1C[C@@H](C)N(Cc2ccc(N3CCCC3)cc2)C[C@H]1C	1319713252	VLSSJPSWGVDVJA-IAGOWNOFSA-N	301.478	3.201	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC[S@](=O)C(C)(C)C	1323829964	AUSOZHZXDAGDGA-ZNLKAECVSA-N	309.475	3.386	10	20	DGCD	
CC[C@H]1CN(Cc2c(O)cccc2Br)CCCO1	707145855	JDWOBVOGPCFNKE-NSHDSACASA-N	314.223	3.156	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@H]2CCCc3ccc(F)cc32)cc1	1336890833	IIUXSFJEUIURCE-KRWDZBQOSA-N	313.376	3.285	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)o1	1254721238	NSSATHVQQVKPNZ-NJZAAPMLSA-N	301.386	3.474	10	20	DGCD	
CC[C@]1(C(=O)O)CCCN(Cc2ccc(N3CCCC3)cc2)C1	1336118121	DKSXUBPXDFQMAC-IBGZPJMESA-N	316.445	3.364	10	20	DGCD	
CC[C@]1(CO)CCCN(Cc2ccc(N3CCCC3)cc2)C1	1343089210	KBLJKGQAVWXSGJ-IBGZPJMESA-N	302.462	3.271	10	20	DGCD	
CCc1cccc(CN2CCC(Nc3ccccn3)CC2)c1O	1262374634	LFUQKYBLISNANL-UHFFFAOYSA-N	311.429	3.426	10	20	DGCD	
Fc1cc(-c2nn[nH]n2)ccc1Sc1ncc(Cl)s1	1606307703	NBVOPGNNKLSDDS-UHFFFAOYSA-N	313.770	3.267	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1occc1C(=O)O	1591596790	PPJWXEJBUGKWME-UHFFFAOYSA-N	316.401	3.454	10	20	DGCD	
Oc1ccccc1CNC[C@@H](O)c1cccc(C(F)(F)F)c1	14966722	SSTXMWYCLCWGFL-OAHLLOKOSA-N	311.303	3.234	10	20	DGCD	
CC(C)Oc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1	18215068	TVBAWPGIHIQJCZ-UHFFFAOYSA-N	312.413	3.470	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCCN(CC(F)(F)F)CC2)c1	164356292	ACELJIVILPOONY-UHFFFAOYSA-N	316.367	3.079	10	20	DGCD	
CC[C@H]1COCCN1Cc1c(O)ccc2ccc(OC)cc12	151898532	MPGLBOHASHYNDF-AWEZNQCLSA-N	301.386	3.165	10	20	DGCD	
C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)C)cc2F)C[C@@H](C)O1	55530546	DGSGUJMEJYJETJ-CHWSQXEVSA-N	322.424	3.102	10	20	DGCD	
CN(C)c1ccc([C@@H]2NC(=O)c3c(Cl)cccc3N2)cc1	172863731	OVBNHNLPWDOVOH-HNNXBMFYSA-N	301.777	3.260	10	20	DGCD	
Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)/C=C/c1cncc(F)c1	178228135	YCMDNZMEDUQGCJ-BPJJOFIESA-N	312.344	3.356	10	20	DGCD	
COc1cc(N(C)Cc2cccc(O)c2)cc(OC)c1OC	180757618	UZDNXSDIVAPRKT-UHFFFAOYSA-N	303.358	3.054	10	20	DGCD	
O=C(c1cccc(O)c1O)N(Cc1ccccc1F)C1CC1	186791537	UMRBLIKCZMMJFR-UHFFFAOYSA-N	301.317	3.042	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc3scnc3c2)c(O)c1O	182286497	KXBWKXFNXRTIQD-UHFFFAOYSA-N	300.339	3.268	10	20	DGCD	
CC[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CCS1	317145307	IAPRPWZIBLABTO-FVOPLDGLSA-N	322.386	3.024	10	20	DGCD	
Cc1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c(O)c1O	181864689	LHHLDAALNLLMJU-UHFFFAOYSA-N	315.344	3.350	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2nccn2C)cc1F	182918789	KGVZPBBRMUZPGS-CYBMUJFWSA-N	304.413	3.256	10	20	DGCD	
COc1cccc2cc(C(=O)N(C)Cc3ccccc3O)oc12	77258396	TWQCXEKTEPETIT-UHFFFAOYSA-N	311.337	3.419	10	20	DGCD	
CC[C@@H](CCO)CNC(=O)c1sccc1-n1c(C)ccc1C	130847334	NUUIVXMPAOXTPG-AWEZNQCLSA-N	320.458	3.294	10	20	DGCD	
Cc1ccccc1C[C@H](CO)N[C@@H](C)c1ccc(N(C)C)cc1	191567292	OQKHJLIHKYHOAO-QFBILLFUSA-N	312.457	3.315	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H]2CCN(CC(F)(F)F)C2)c(O)c1	193503722	FTOANGTWHQKDBA-QWHCGFSZSA-N	316.367	3.235	10	20	DGCD	
COc1cccc(C)c1NC(=O)NCc1ccc(N(C)C)cc1	194991123	LQUJVHRFQQJFNG-UHFFFAOYSA-N	313.401	3.391	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1nccc(OC)c1OC	190611996	ZZLPKNWNCQVQFU-UHFFFAOYSA-N	316.401	3.217	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)N2CCCC[C@@H]2C)cc1	191586835	OJHNYWHPTRKLBJ-HNNXBMFYSA-N	304.434	3.311	10	20	DGCD	
CN(C(=O)/C=C\c1cccnc1)c1ccc(-c2ccccc2)nn1	255117082	VWKOMONVDKZIDN-XFXZXTDPSA-N	316.364	3.215	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1	265967145	KBFKYQSIEFDKGH-QGZVFWFLSA-N	302.418	3.257	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H](O)c2ccc(C)o2)cc1	268997168	OBDBBVZWHVLOGP-RHSMWYFYSA-N	302.418	3.428	10	20	DGCD	
COc1cccc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1O	284430449	RWYCBWDTIJBEHR-OCCSQVGLSA-N	316.228	3.417	10	20	DGCD	
CCOC1CC(CN(Cc2ccccc2O)C[C@@H]2CCCO2)C1	285519788	GIYZHSVJNZEUNJ-NXYGQSRBSA-N	319.445	3.188	10	20	DGCD	
COCCN(Cc1cccnc1)Cc1c(O)cccc1Cl	289405781	HCSLIKFKWTUDQH-UHFFFAOYSA-N	306.793	3.089	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NC[C@H](CO)Cc2ccco2)c1O	808703783	WFVHLNLOEZTETC-QWHCGFSZSA-N	323.820	3.449	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c(O)c1O	294025618	FKVALASUQGQJBV-ZDUSSCGKSA-N	313.353	3.162	10	20	DGCD	
COc1ccccc1/C=C1\SC(=S)N(C2CCC2)C1=O	292246252	CVSJRAWWZOTUKN-LCYFTJDESA-N	305.424	3.449	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNCC2CCC(F)(F)CC2)c1	800293406	DGCHXHOMPUDAOC-UHFFFAOYSA-N	300.305	3.216	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCN(C2CCCCC2)C1)c1ccccc1O	827937052	JDTVPRLFKHPCNR-CABCVRRESA-N	316.445	3.224	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCN(c2ccccc2)C1)c1ccccc1O	827952640	ZOAUBNRYYDDIRT-CABCVRRESA-N	310.397	3.096	10	20	DGCD	
COc1cc(O)c(CNC[C@@]2(C)CC2(Cl)Cl)cc1OC	824764766	DFVJKLNPJVGBFA-CYBMUJFWSA-N	320.216	3.083	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1	728985039	VEECFWALNZGPAG-ZOBORPQBSA-N	303.402	3.404	10	20	DGCD	
CC[C@H](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C	729297978	MDJWTODMHUMPNL-MRXNPFEDSA-N	318.461	3.416	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2	726267511	MMUASJLLKQVXRI-ULQDDVLXSA-N	315.461	3.330	10	20	DGCD	
CCN(CCC(=O)O)Cc1ccc(N(C)C)cc1C(F)(F)F	901605634	XMPSEVONJAPIED-UHFFFAOYSA-N	318.339	3.068	10	20	DGCD	
O=C(Nc1c(F)cccc1N1CCCC1)c1cc(O)cs1	825597316	MOQZCAZZFIKIME-UHFFFAOYSA-N	306.362	3.445	10	20	DGCD	
COc1cccc2c1OCC[C@H]2NCc1ccc2c(c1)CCO2	733332365	UTNWWQZYAKIEMK-MRXNPFEDSA-N	311.381	3.244	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC3(CC2)C[C@H]3C(=O)O)cc1	901501667	PJZBSRQPKUPJFZ-KRWDZBQOSA-N	316.445	3.220	10	20	DGCD	
Cc1cc(C(F)(F)F)nn1CCN[C@@H](C)c1ccccc1O	903165997	ZSOSDSDRQKNHDP-NSHDSACASA-N	313.323	3.267	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCC2(O)CCCC2)cc1	733977396	ASAIECDQWORRQI-UHFFFAOYSA-N	312.413	3.129	10	20	DGCD	
CCN(CC)Cc1ccc(CNC(=O)c2cc(O)cs2)cc1	731866185	SKQRTGIMKCQZCY-UHFFFAOYSA-N	318.442	3.226	10	20	DGCD	
Cc1ccc(O)c(CN(CCN(C)C)Cc2ccsc2)c1	839186199	KPGLSNQKWJGDDR-UHFFFAOYSA-N	304.459	3.326	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CSC(C)C)cc1F	731346856	YWKGQTSJLZHPBM-UHFFFAOYSA-N	312.454	3.430	10	20	DGCD	
CCOc1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)cc1	739618877	YXDUNENPXKVXMZ-WTKPLQERSA-N	300.333	3.296	10	20	DGCD	
COc1ccc(O[C@H](C)CN[C@H]2CCc3cccc(O)c32)cc1	834606212	GGJZAUQNXZPYRR-DYVFJYSZSA-N	313.397	3.445	10	20	DGCD	
CCCN(CCO)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	914535109	GMDHNWYBJSZHOD-UHFFFAOYSA-N	318.392	3.078	10	20	DGCD	
COc1ccc(CNCCc2ccc(N)cc2)cc1OC(F)F	841037830	YFPRNLKOZXNNAY-UHFFFAOYSA-N	322.355	3.211	10	20	DGCD	
Nc1ccc(CCNC(=O)NCCCCC2CCCC2)cc1	841844637	GPXKRWXTAKDIRC-UHFFFAOYSA-N	303.450	3.471	10	20	DGCD	
C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Cl)ccc1O	840886731	OHLXQUZNUCWPJJ-DYLAAIIWSA-N	305.752	3.245	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(C2CC2)c1	847696533	RHULCUXSGMBMIX-LBPRGKRZSA-N	311.381	3.336	10	20	DGCD	
C[C@@H](N)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	843051924	MWBSZPGJMBJSAD-SJLPKXTDSA-N	301.478	3.236	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1C[C@H](O)C[C@@H]1c1ccccc1	840956713	CSLURHRDQUVURS-GDBMZVCRSA-N	321.779	3.493	10	20	DGCD	
O=C(O)C1(CNCc2cc(Cl)cc(Cl)c2O)CCCC1	756309349	VVIZWKIKPMHNME-UHFFFAOYSA-N	318.200	3.434	10	20	DGCD	
Cc1cc(CNC(=O)NOCC(F)F)c(C)n1-c1ccccc1	858411584	OSNHHJVFFXKOCI-UHFFFAOYSA-N	323.343	3.090	10	20	DGCD	
Cc1ccccc1[C@@H](CO)N[C@H](C)c1cc(F)cc(F)c1O	756638659	VQOUDIIREAYHGU-BDJLRTHQSA-N	307.340	3.363	10	20	DGCD	
Oc1ccccc1CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	865650302	BNBITOJQXAPSIO-WBVHZDCISA-N	305.324	3.290	10	20	DGCD	
CC[C@H](NC[C@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1	766440729	YVBYIWHYBJKHKQ-ZWKOTPCHSA-N	321.534	3.231	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc2c(c1)N(C)CC2)c1ccccc1O	866161869	YNCSREVBOOIREV-GFCCVEGCSA-N	311.385	3.267	10	20	DGCD	
Cc1csc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	767477999	MUTDJXAUFHGNJJ-UHFFFAOYSA-N	317.458	3.109	10	20	DGCD	
CCn1nc(NC(=O)NCc2cc(C)ccc2O)cc1C1CC1	860740198	RAKZMDYBDHUNGV-UHFFFAOYSA-N	314.389	3.116	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CCO[C@H]1CCCCO1	769767369	UNZGIGJWEIPNFO-SFHVURJKSA-N	305.418	3.381	10	20	DGCD	
COCCc1ncc(CN2CCCc3cc(OC)ccc32)s1	877179894	BCMQSXHVYWXZGE-UHFFFAOYSA-N	318.442	3.293	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCCc2ccc(F)c(F)c21	770383699	JKRJFPMMGJFZJB-ZZXKWVIFSA-N	318.298	3.492	10	20	DGCD	
COc1cc(Cl)cc(CNCC[C@@H](O)C2CCCC2)c1O	877777431	AKZVFRYJASVXJA-CQSZACIVSA-N	313.825	3.085	10	20	DGCD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)/C=C\c1ccc(O)c(O)c1	779499610	NPUHDFFYRGQPBQ-SGNXQUTQSA-N	309.365	3.223	10	20	DGCD	
Cc1cc(CN(Cc2ccccc2)[C@H](C)CO)ccc1N(C)C	1117705590	XJJFWMBBBUBXLP-QGZVFWFLSA-N	312.457	3.444	10	20	DGCD	
CCOc1ccc2c(c1)[C@H](NC(=O)c1cc(O)cs1)CCO2	776270041	OTSNURKBIATRPB-CYBMUJFWSA-N	319.382	3.106	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCCCC1)c1cc(Cl)ccc1O	775494296	ZHGLGJRNRRMIPQ-OAHLLOKOSA-N	324.852	3.489	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc3cncn3c2)cc1	785883157	KZOFHJRCBAJUSS-UHFFFAOYSA-N	322.412	3.111	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NC1(C)CC1	789195876	KQMOXQWEJZIAIR-UHFFFAOYSA-N	305.491	3.390	10	20	DGCD	
CN(C)c1ccc([C@H](CNCc2ccsc2)N(C)C)cc1	898450291	ACWLQZGBYAZVEN-KRWDZBQOSA-N	303.475	3.207	10	20	DGCD	
COc1ccc(CN(CCCO)Cc2cccc(C)c2O)cc1	898172815	AVLBWSVJAJUOPR-UHFFFAOYSA-N	315.413	3.094	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cn(C)cn3)c2C)c1	890119807	OECHDHSXDKJCBZ-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1cnn(CC2CCC2)c1	897431739	ALXDCTRARDFMSU-UHFFFAOYSA-N	305.809	3.332	10	20	DGCD	
CC[C@@H](CSc1ccccc1)NC(=O)c1cccc(O)c1O	790904248	STEFYGHARSYPDY-LBPRGKRZSA-N	317.410	3.399	10	20	DGCD	
COC(=O)Nc1cccc(CNCc2cc(C)ccc2O)c1	796492212	YMABFIAMQGHZKY-UHFFFAOYSA-N	300.358	3.169	10	20	DGCD	
CCCC1(C(=O)NCCCNCc2ccc(OC)c(C)c2)CC1	1166097605	CRRUAPKEALCAJI-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
CO[C@@H](CN[C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1	1324541370	JYLQWXBMHXNUKM-WBVHZDCISA-N	301.361	3.496	10	20	DGCD	
C[C@@H](CO)N(Cc1ccc(N2CCCC2)cc1)CC1CCC1	1261177210	ODKWIRNDAVDPSY-INIZCTEOSA-N	302.462	3.270	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)cn1	1262030247	BSDUMEQIHAITKD-UHFFFAOYSA-N	306.387	3.020	10	20	DGCD	
Cc1ccc(C(F)(F)C(=O)NCCc2ccc(N)cc2)cc1	1579666771	AFXXELRESLRCLR-UHFFFAOYSA-N	304.340	3.028	10	20	DGCD	
NC[C@@]12CCCC[C@@H]1CN(Cc1c(O)ccc(Cl)c1F)C2	1580256807	YNHAUXUQZFHCCC-BDJLRTHQSA-N	312.816	3.136	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cccc2c1C(=O)CC2	1597772091	DZDKCXSYINPOBW-UHFFFAOYSA-N	300.310	3.248	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(C(C)(C)C)ns1	160308704	UNCMKITWPWBKDQ-VIFPVBQESA-N	307.419	3.290	10	20	DGCD	
Oc1c(Br)cccc1CN[C@@H]1CCC(F)(F)C1	383976620	JLXWWBNRKVTSQQ-SECBINFHSA-N	306.150	3.432	10	20	DGCD	
Cc1ccc(CNC[C@H](NC(=O)OC(C)(C)C)C2CC2)c(O)c1	877163940	WXFCHJZDCLJQRK-HNNXBMFYSA-N	320.433	3.094	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCc2cccnc2)cc1	25522032	LBABXUCMHJMTHX-UHFFFAOYSA-N	319.408	3.462	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(Cl)c1	28331292	CQKZBUTYEPCPMJ-UHFFFAOYSA-N	315.804	3.265	10	20	DGCD	
COc1ccc(NCc2cc3c(cc2O)OCO3)cc1Cl	42879120	USUUAIZIZPHWHU-UHFFFAOYSA-N	307.733	3.395	10	20	DGCD	
CCOc1cccc(CN(C)Cc2cc(Cl)cn2C)c1O	91930825	YIYYFDIALICYRC-UHFFFAOYSA-N	308.809	3.415	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C)O1	111168334	PXPXULYQJGJVKB-SWLSCSKDSA-N	307.434	3.395	10	20	DGCD	
Cc1cccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)c1C	121420252	MIAIVXRJVJBPER-UHFFFAOYSA-N	312.369	3.107	10	20	DGCD	
c1c[nH]c([C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)c1	127393142	YZKPCTNNPPPMLG-LJQANCHMSA-N	311.429	3.188	10	20	DGCD	
C[C@H](NCCCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1	156368611	NGQQOCSNFJMGNP-ZDUSSCGKSA-N	317.399	3.287	10	20	DGCD	
CC(C)(C)OC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	158134056	DRQNGJSMRVMELP-AWEZNQCLSA-N	307.390	3.308	10	20	DGCD	
COc1cccc(CNC(=O)NCC2CCC(C)CC2)c1O	174293125	OMCZHEFDONDSRI-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
COc1ccc(O)c(CNC(C)(C)c2nc(C)c(C)s2)c1	182223484	GETQAIARMHQYAW-UHFFFAOYSA-N	306.431	3.499	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)c1cccc(F)c1	183452754	DOKRJZCVCKJPQA-NWDGAFQWSA-N	317.360	3.088	10	20	DGCD	
CCN1CC[C@@H](NCc2ccc(N(CC)CC)cc2)[C@@H](C)C1	246028676	ABJHBJQANGVAIB-QFBILLFUSA-N	303.494	3.353	10	20	DGCD	
C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]1CN	252101688	GJHIXPPGJTXDGU-RNCFNFMXSA-N	303.233	3.258	10	20	DGCD	
CCOc1cccc(CNCC2([C@@H](C)CCO)CCC2)c1O	271829563	ONGMFZHGKWIJQW-AWEZNQCLSA-N	307.434	3.069	10	20	DGCD	
C[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1O	276979724	VQEPXGAVOQTMHA-WMLDXEAASA-N	316.445	3.367	10	20	DGCD	
C[C@@H](CCCNCc1ccc(N2CCCCC2)cc1)C(=O)O	277456801	VIACLDZXUMBXRK-HNNXBMFYSA-N	304.434	3.267	10	20	DGCD	
Oc1cc2c(cc1CN[C@H]1C[C@H](c3ccccc3F)C1)OCO2	280729785	VRNHSZDBGPDYJH-AULYBMBSSA-N	315.344	3.296	10	20	DGCD	
CCCOc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)c(O)c1	285021602	KAEVDTDHNOWZMU-FUHWJXTLSA-N	305.418	3.324	10	20	DGCD	
COCC1(CN[C@H](C)c2cc(Cl)ccc2O)CCOCC1	293657305	LROSKWNIGRFPMW-GFCCVEGCSA-N	313.825	3.139	10	20	DGCD	
C[C@H]1Oc2ccc(N[C@@H]3CCc4cccc(O)c43)cc2NC1=O	296887213	OKCUOKXALZZQNH-ZWNOBZJWSA-N	310.353	3.211	10	20	DGCD	
C[C@H](CCO)CCN[C@H](C)c1cc(Br)ccc1O	297401202	SMNNYAPLLKLNTC-WDEREUQCSA-N	316.239	3.214	10	20	DGCD	
CO[C@@]1(CN[C@H](C)c2ccc3ccccc3c2O)CCOC1	317882183	UNJJBKUEVQSFTF-FZKQIMNGSA-N	301.386	3.002	10	20	DGCD	
Cc1cnccc1CC(=O)NCc1c(C)c2ccccc2n1C	352126917	ZAPUHDQYIQHAIM-UHFFFAOYSA-N	307.397	3.049	10	20	DGCD	
CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1C1CC1	368665181	CCYRNHOMHITIJP-GOSISDBHSA-N	300.446	3.144	10	20	DGCD	
CN(CCCN[C@H]1CCc2cccc(O)c21)Cc1ccccc1	381800247	SFRKKIRVMHKPAX-SFHVURJKSA-N	310.441	3.491	10	20	DGCD	
O=C1Nc2ccccc2/C1=C\c1ccc(N2CCOCC2)c(F)c1	727264556	WMVCVZZUEYBIEP-RVDMUPIBSA-N	324.355	3.155	10	20	DGCD	
O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(O)cs1	732276932	WYWGROKRXWWGLC-HIFRSBDPSA-N	321.373	3.243	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	748459852	KOVKOFQEVZDNOM-DGADGQDISA-N	300.402	3.016	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCOc3cc(F)ccc32)c1O	750819607	CYXWMOTUKBOMCM-UHFFFAOYSA-N	319.307	3.272	10	20	DGCD	
CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C1CCOCC1	756627886	IUSNFQABUHQUKL-IAQYHMDHSA-N	308.378	3.156	10	20	DGCD	
CN(Cc1ccn(-c2ccccc2)n1)c1ccc2c(c1)OCO2	756647030	XADAZGXMGXZUAT-UHFFFAOYSA-N	307.353	3.237	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)Cc2cc(OC)c(C)cc2O)C1(C)C	768445644	HXFALVAPFCUJGB-IAGOWNOFSA-N	307.434	3.345	10	20	DGCD	
CO[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)C	773348670	XTTDWAGQIYCROX-BBRMVZONSA-N	321.465	3.174	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(Cl)nc2C)c1O	789776458	FQSLZUATVDTWAQ-UHFFFAOYSA-N	323.736	3.278	10	20	DGCD	
CC[C@H](N[C@H](CO)Cc1cccc(C)c1)c1ccc(F)cc1O	796959508	QPXCLMKEDKORHZ-WMZOPIPTSA-N	317.404	3.484	10	20	DGCD	
CO[C@@H](C)[C@@H](C)N[C@H](C)c1cc(Br)cc(F)c1O	810258097	ZGLHEKYYMDNXRT-HLTSFMKQSA-N	320.202	3.368	10	20	DGCD	
COC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	812461125	HQNCZOABJGSDDG-HUUCEWRRSA-N	318.461	3.162	10	20	DGCD	
Cc1cc(C(=O)OC[C@H](C)[N+](=O)[O-])c(C)n1-c1ccc(F)cc1	813108572	HQJDIYIQCJPSCQ-NSHDSACASA-N	320.320	3.055	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@@H]2CC(C)(C)OC2=O)cc1	814180674	QSUTVSLHHJAZQI-MRXNPFEDSA-N	304.434	3.059	10	20	DGCD	
CN(Cc1cc(Cl)c(F)cc1O)[C@H]1CCCc2c1cnn2C	816519809	WTGWRKBUOFUQAY-AWEZNQCLSA-N	323.799	3.428	10	20	DGCD	
CC(C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1	817905437	NDTANLNCQFDZFO-UHFFFAOYSA-N	303.431	3.092	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](O)c2ccccc2F)cc1Cl	825131096	KBRQPSCZVMDEDO-INIZCTEOSA-N	309.768	3.316	10	20	DGCD	
COCC(COC)N[C@H](C)c1cc(Cl)c(Cl)cc1O	834891901	QCCUPXGKLFRNOY-MRVPVSSYSA-N	308.205	3.011	10	20	DGCD	
CCN(C)c1ccc(CN2CCC(c3ccncn3)CC2)cc1	839622151	MWRYKIULGARCRC-UHFFFAOYSA-N	310.445	3.312	10	20	DGCD	
CC(C)[C@H]1N(Cc2ccc(N(C)C)cc2)CC12CCOCC2	840969460	KMBSGSJHBVGIPR-GOSISDBHSA-N	302.462	3.390	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(Cl)cc1O	841765069	UPTNFXOHLFGIGP-OUCADQQQSA-N	324.852	3.343	10	20	DGCD	
C[C@H](N[C@H](CCO)c1ccccc1F)c1cc(F)ccc1O	842922352	BNFVLKKGPBWXOO-MEDUHNTESA-N	307.340	3.445	10	20	DGCD	
CCCC(C)(C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	845748424	QQYQGJMEYSSRGS-UHFFFAOYSA-N	322.424	3.309	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@]2(C)CCO[C@H]2C2CC2)c1O	846165687	XQCVWQWLRHKRGG-UYHISHBKSA-N	305.418	3.257	10	20	DGCD	
CCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(CC)c1O	848911670	XRDNYAAPNKZKNF-INIZCTEOSA-N	320.433	3.055	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2ccc(C3CC3)cc2)cc1	852792247	TWCZUEDXCHSHKF-IBGZPJMESA-N	323.440	3.060	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@@H]2CCCN2CC(F)F)c(O)c1C	858479540	UUNCDOCMQSHQEC-KBPBESRZSA-N	312.404	3.389	10	20	DGCD	
CCC(CC)n1nccc1C(=O)NCc1cc(C)ccc1O	862758260	UWPPZIALKZLGHI-UHFFFAOYSA-N	301.390	3.188	10	20	DGCD	
CCC[C@@H](NC(=O)CN(C)c1ccc(N)cc1)c1ccccc1	863557081	HNYGZSKBXINCSV-GOSISDBHSA-N	311.429	3.363	10	20	DGCD	
Cc1ccc(CNC[C@H]2CCN(c3ccccc3F)C2)c(O)c1	877542550	TVZGTEALHSMEOK-OAHLLOKOSA-N	314.404	3.456	10	20	DGCD	
Cc1[nH]nc(NCc2cc(Br)cc(F)c2O)c1C	886197760	LIXVERRIOVKPKC-UHFFFAOYSA-N	314.158	3.246	10	20	DGCD	
C[C@H](NC[C@H](CO)Cc1ccc(F)cc1)c1c(O)cccc1F	886511152	KMVXUTSMDLXVRP-GXTWGEPZSA-N	321.367	3.172	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2c(O)cccc2F)cc1[N+](=O)[O-]	886516477	JKAWWBZVLMHRPB-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Cl)cn1	887276877	BOUHIGUOYKNMOI-XYOKQWHBSA-N	307.806	3.191	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCN1C)c1ccc(C(F)(F)F)cc1O	903317397	KFYCSRYBNRXHRZ-WCQYABFASA-N	302.340	3.156	10	20	DGCD	
CCOc1ccc(CNCCc2nc3c(s2)CCC3)c(O)c1	922715457	SMLQHAYTKHPRDP-UHFFFAOYSA-N	318.442	3.068	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC[C@@H](F)C1	1329235455	FNLVNMCUKLKRCL-CVEARBPZSA-N	319.424	3.367	10	20	DGCD	
Cc1ccc(C2=NO[C@@H](CNCc3cc(C)ccc3O)C2)cc1	1331567875	ZGBWBYSHZFZMSN-QGZVFWFLSA-N	310.397	3.292	10	20	DGCD	
COC(=O)CN(Cc1cc(C(C)C)c(C)cc1O)CC(C)C	1332223239	JPGGJKARUDCRRM-UHFFFAOYSA-N	307.434	3.455	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCCC2)cc1)C1(C(=O)O)CCC1	1609929856	BLCGYVPFJKKQSC-QGZVFWFLSA-N	316.445	3.410	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cccc(SC)c2)c1O	104970835	NFCXUPLKOVUVRG-UHFFFAOYSA-N	318.398	3.444	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC1CCCC1	115856215	GAWGKKAJLYSPNX-UHFFFAOYSA-N	303.450	3.393	10	20	DGCD	
CC[C@H](C)OCC(=O)NCc1ccc(N2CCC(C)CC2)cc1	128183410	UOLWCZKIOFFXPR-INIZCTEOSA-N	318.461	3.354	10	20	DGCD	
CC(C)(C)c1cnc(SCC(=O)NCC(F)(F)F)s1	164073916	IBOZDALQCQRUOB-UHFFFAOYSA-N	312.382	3.211	10	20	DGCD	
CN(Cc1ccccc1)C(=O)COc1ccc(N2CCCC2)cc1	178191921	RJNXTLCPTKNOKS-UHFFFAOYSA-N	324.424	3.324	10	20	DGCD	
FC(F)Oc1ccc2c(c1)CCCN2CCCn1ccnc1	182878128	RHWDROPCQQFXJT-UHFFFAOYSA-N	307.344	3.327	10	20	DGCD	
Cc1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1O	183466262	NOIZXYALTHHJNC-UHFFFAOYSA-N	300.377	3.162	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1c(F)c(F)nc(F)c1F	184147544	IFSXCZFEXDHLSR-ZCFIWIBFSA-N	316.254	3.092	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O	185442754	SYNYKVOKXCHIJW-DGCLKSJQSA-N	324.396	3.191	10	20	DGCD	
Cc1cccc(C[C@@H](CO)N[C@@H](C)c2ccc(N(C)C)cc2)c1	191606130	JDRJLHPNSRDGQT-LPHOPBHVSA-N	312.457	3.315	10	20	DGCD	
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1O	193079854	IFJKWTHOCYDOEK-WCQYABFASA-N	315.344	3.255	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1CNCc1ccc(N2CCOCC2)cc1	237364042	GHTUMSXTVDSBBQ-SJLPKXTDSA-N	302.462	3.439	10	20	DGCD	
O=C(NCc1ccccc1O)NCC1(Cc2ccccc2)CC1	269337800	HFXITHZGSKWSOU-UHFFFAOYSA-N	310.397	3.214	10	20	DGCD	
CC(C)C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCO1	272049056	DQCJPIZISVRQQE-HOTGVXAUSA-N	320.433	3.127	10	20	DGCD	
CCN(CC)c1ccc(CNCC[C@H](C)CC(=O)O)cc1F	277460201	VMUVCCAJEDVWCU-ZDUSSCGKSA-N	310.413	3.262	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCCO1	282388646	DKMHIPBDOKSLML-INIZCTEOSA-N	305.418	3.480	10	20	DGCD	
Cc1cccc(CCCNCc2ccc(N(C)C)c(F)c2)n1	285378822	BJPAMWADHBXXMD-UHFFFAOYSA-N	301.409	3.318	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](OC)C(C)(C)C2)c1O	295014674	MKTNEGNFBQEAIW-AWEZNQCLSA-N	313.825	3.301	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N2CCC[C@H](CC(C)(C)C(N)=O)C2)c1	296353160	IKVLGHKHPZECKN-HUUCEWRRSA-N	318.461	3.375	10	20	DGCD	
CCCCN(Cc1ccccc1O)c1ncc([N+](=O)[O-])c(C)n1	296750028	KLJIAVRFRDWYSH-UHFFFAOYSA-N	316.361	3.206	10	20	DGCD	
Cc1ccc(CNCc2cc(Br)ccc2O)nc1C	313835863	OYWGNEMILGYMDM-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
CN(CCOc1ccccc1Cl)C(=O)Cc1ccc(N)cc1	314424548	FYISPGRLKPQMGF-UHFFFAOYSA-N	318.804	3.002	10	20	DGCD	
C[C@@H]1[C@H](NCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1	383365355	UYBVHZWAENAUIV-OXQOHEQNSA-N	322.452	3.374	10	20	DGCD	
Oc1cccc(Cl)c1CN[C@H]1CCN(Cc2ccccc2)C1	390701664	DBLACNSQFDEZKF-HNNXBMFYSA-N	316.832	3.410	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2nccn2CC)cc1	730081744	XWVGKOYXJXNVDI-UHFFFAOYSA-N	300.450	3.381	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1nccc(N2CCCC2)n1	734483119	VTGLZMHXABXAQT-UHFFFAOYSA-N	311.433	3.063	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1	746134255	OWRPMJCLPAIYFO-HOTGVXAUSA-N	317.477	3.022	10	20	DGCD	
Oc1ccc2c(c1CNc1ncnc3ccncc13)CCCC2	752638042	JHRAHDJOSSFELO-UHFFFAOYSA-N	306.369	3.221	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2ccc(C)o2)cc1F	754018839	QABLSVPUSVVNIF-UHFFFAOYSA-N	318.392	3.432	10	20	DGCD	
C[C@H](NC1CCN(C(=O)C2CC2)CC1)c1cc(Cl)ccc1O	756399021	LVLVFYLNTBWGMC-NSHDSACASA-N	322.836	3.097	10	20	DGCD	
C[C@H]1C[C@H](N[C@H](CO)c2ccccc2)c2c(O)ccc(F)c21	756584856	HDTJTWQPBFDWFW-TUKIKUTGSA-N	301.361	3.403	10	20	DGCD	
Cc1ccc(C(=O)NCc2cccc(Br)c2O)cc1	765745987	BJZSEJJORVMRFR-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1	766908787	DUDYNUZLWFJHEQ-KDOFPFPSSA-N	323.440	3.445	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc2nccn12	770659513	UKZGSAYRDGYRLX-UHFFFAOYSA-N	309.369	3.092	10	20	DGCD	
CCCN(CCCNC(=O)OC(C)(C)C)c1ccc(CN)cc1	775141178	XQXHNVKIVOWBMC-UHFFFAOYSA-N	321.465	3.277	10	20	DGCD	
CC[C@H](NC1CCC(C(=O)NC)CC1)c1cc(Cl)ccc1O	775497797	UPPRQGCLXOEATE-HGMXIMQMSA-N	324.852	3.391	10	20	DGCD	
CNC(=O)c1ccc(OC)c(NCc2cccc(Cl)c2O)c1	775752567	CUVYTVPYYVRQCG-UHFFFAOYSA-N	320.776	3.026	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccc(Cl)cn1	778222705	BODPRRAOCKHCRW-UHFFFAOYSA-N	303.793	3.200	10	20	DGCD	
CC[C@]1(O)CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	779339929	PVXYBRIGZGQBGF-KRWDZBQOSA-N	318.442	3.143	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1C[C@H](C)Oc2cc(F)ccc21	784045948	CQGXDNBTMIWETH-YIALFULDSA-N	312.344	3.356	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@H](O)CCc1ccccc1	784680398	QRXDFUPAXYSVRW-MRXNPFEDSA-N	305.805	3.129	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](CC)O1	801545649	DBIVCIDIUAFUPQ-WBVHZDCISA-N	305.418	3.479	10	20	DGCD	
CCOC1CC(N(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	807140006	JDHQJKSEHBALPE-IGEOTXOUSA-N	319.449	3.023	10	20	DGCD	
COCC(C)(C)CCCNCc1ccc(N2CCOCC2)cc1	808428720	NAWRDXXHLDRIFA-UHFFFAOYSA-N	320.477	3.066	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1Cc2cccc(Cl)c2C1	813656041	RMFJCDZAVHAXQO-ALCCZGGFSA-N	315.756	3.307	10	20	DGCD	
CC[C@@H](NC[C@@H]1CCCNC1)c1ccc(C(F)(F)F)cc1O	817945797	MIFOOHYKRPMRNM-BXUZGUMPSA-N	316.367	3.451	10	20	DGCD	
CCCc1cc(C(=O)NCc2cc(Cl)ccc2O)cc(O)n1	823986747	NRYFAXFLOOSVAE-UHFFFAOYSA-N	320.776	3.029	10	20	DGCD	
CSCC1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1	834289159	QWBRCRQVNYRSOJ-UHFFFAOYSA-N	309.431	3.058	10	20	DGCD	
C[C@@H](CN[C@@H]1CCc2cccc(O)c21)N1CCc2ccccc2C1	834538700	WBKXQNZRNULWBF-HNAYVOBHSA-N	322.452	3.416	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC2CC(F)(F)C2)c1	834909761	TZRIWLNTUONYJN-JTQLQIEISA-N	313.344	3.265	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2cc(C)cc(Br)c2O)C1	839147575	NPYNTYQVZWWSGP-TXEJJXNPSA-N	314.223	3.120	10	20	DGCD	
Cc1cc(CN2C[C@@H](O)C[C@H]2c2ccccc2)ccc1N(C)C	839638305	ZMWCKTOKFRDRGB-ICSRJNTNSA-N	310.441	3.369	10	20	DGCD	
COC(=O)C(C)(C)CCN[C@@H](C)Cc1ccc(N(C)C)cc1C	840977074	QREMARGOBYFAQD-HNNXBMFYSA-N	320.477	3.171	10	20	DGCD	
C[C@@]12CCN(C(=O)Nc3ccc(N)cc3)C[C@H]1C2(Cl)Cl	841299808	OOBSZPUYJBZUOH-DGCLKSJQSA-N	314.216	3.316	10	20	DGCD	
CCOc1ccc(CN[C@@H](CC)C(=O)OC(C)(C)C)c(O)c1	842772377	XWXCDWJPTKZTEK-AWEZNQCLSA-N	309.406	3.001	10	20	DGCD	
CCc1cccc(CN2CC[C@@H](C3CCN(C)CC3)C2)c1O	848912765	VOOWWQUJXXOKBH-QGZVFWFLSA-N	302.462	3.118	10	20	DGCD	
Cc1ccc(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)c(C)c1	850749643	DWGSUUYZRGEILU-UHFFFAOYSA-N	324.428	3.240	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C2(Cc3ccccc3F)CC2)c1	862757490	WIKLNFUFHOXPME-UHFFFAOYSA-N	313.372	3.479	10	20	DGCD	
CC1(C)COc2ccc(NCc3ccccc3O)cc2NC1=O	865861681	XVQCEWRTLQMZHG-UHFFFAOYSA-N	312.369	3.361	10	20	DGCD	
Cc1cccc(O)c1CN1CCO[C@H](c2cccc(F)c2)C1	876682751	OBDGDFRGXJLKSE-SFHVURJKSA-N	301.361	3.413	10	20	DGCD	
OC1CCN(c2ccc(CNc3cccc4c3CCO4)cc2)CC1	877490989	DLUUZBRBRYGCBN-UHFFFAOYSA-N	324.424	3.195	10	20	DGCD	
CC(C)COC(=O)N1CCC(N[C@H](C)c2ccccc2O)CC1	877756244	AMDOMSIHQGFCFO-CQSZACIVSA-N	320.433	3.300	10	20	DGCD	
CCc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)nc1	881209131	SWNCUZJWPUQVIU-UHFFFAOYSA-N	322.412	3.342	10	20	DGCD	
OCCC[C@H](NCc1cc(F)cc(F)c1O)c1ccccc1	883016655	HJXIKSFUXVHFLS-INIZCTEOSA-N	307.340	3.274	10	20	DGCD	
CNC(=O)CC1(CN[C@@H](C)c2c(O)cccc2F)CCCCC1	886640163	SWRLDYWQJQPJQQ-ZDUSSCGKSA-N	322.424	3.269	10	20	DGCD	
COc1ccc(CN2CCC[C@@H]2c2cccn2C)c(O)c1OC	891503771	WEIBXMOFYWCQNY-OAHLLOKOSA-N	316.401	3.085	10	20	DGCD	
COc1cc(CN(C)Cc2ncc[nH]2)c(O)c(C(C)(C)C)c1	894586946	NTCLBKYIBDLFLG-UHFFFAOYSA-N	303.406	3.053	10	20	DGCD	
CN1C(=O)/C(=C/c2cnn(C3CCC3)c2)c2cc([N+](=O)[O-])ccc21	899381397	PUNAFINFJZNKDC-VIZOYTHASA-N	324.340	3.033	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1	1319077282	AZOKQCVLQXMBNS-GFCCVEGCSA-N	318.367	3.451	10	20	DGCD	
CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1(C)C	1339877491	BVAOLLCJVWEALS-UHFFFAOYSA-N	313.445	3.393	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)/C=C(\C)C3CC3)CC2)cc1	1341089845	HGUPSQDUYVWNPB-CCEZHUSRSA-N	314.429	3.090	10	20	DGCD	
C[C@H]1CC2(CCNCC2)CN1Cc1cc(Cl)c(F)cc1O	1576636663	FSIDUXUXFVQVGT-NSHDSACASA-N	312.816	3.149	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cc(C(=O)OC)ccc1C	1597772317	XUOFMFCFWQMLAV-UHFFFAOYSA-N	318.325	3.214	10	20	DGCD	
Cc1cc(CN[C@@H](C(=O)O)C2CCCCC2)ccc1N(C)C	1600206410	VVWIWYGLBGFMLP-QGZVFWFLSA-N	304.434	3.184	10	20	DGCD	
Cc1ccc(CSc2ncc(C(=O)O)s2)c(Cl)n1	1600422752	XCDUIHZGUFCSHX-UHFFFAOYSA-N	300.792	3.490	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H](C)c2ncc(C(=O)O)s2)c1	1607811284	OYVNHSDMFYKYSY-UWVGGRQHSA-N	306.387	3.267	10	20	DGCD	
O=C(O)[C@@H]1CC12CCN(Cc1ccc3ccccc3c1O)CC2	1610737858	DFVAOIURWUPKNL-INIZCTEOSA-N	311.381	3.232	10	20	DGCD	
COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)C2(C)CCC2)cc1C	1755247357	ATGUKPAORGCHSQ-GJZGRUSLSA-N	318.461	3.177	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCN1CCCCC1	49574558	SROPWGJAIGZAIV-UHFFFAOYSA-N	303.233	3.275	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CCc4ccccc43)ccc21	58601740	OOGMMRDTDDLTFZ-UHFFFAOYSA-N	321.424	3.341	10	20	DGCD	
COc1ccc(N(Cc2ccc(C(N)=O)cc2)C(C)C)cc1F	101567478	CKPFYVXFIPIOTD-UHFFFAOYSA-N	316.376	3.348	10	20	DGCD	
Cc1cc(C(=O)Nc2ccc(F)nc2)c(C)n1-c1ccccn1	135036567	LZYPUDUGYMDWED-UHFFFAOYSA-N	310.332	3.276	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1	157714756	XFGLFFUEDXRNIC-IEBWSBKVSA-N	301.478	3.278	10	20	DGCD	
O=C(CCSc1ccccc1F)NCc1ccc(O)c(O)c1	159115953	PIKWSGDAUVWTKU-UHFFFAOYSA-N	321.373	3.036	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCO[C@H](C)[C@H]3C)c2c1	164144582	UEPZTZFAPDKDGX-CHWSQXEVSA-N	301.386	3.163	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C(C)C)n(C)n1	175336429	BKSGEFNBXZJARK-UHFFFAOYSA-N	315.417	3.302	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(F)c(F)c2F)cc1	176775955	BPVIZOSUONGPDV-UHFFFAOYSA-N	308.303	3.100	10	20	DGCD	
Cc1ccc(C(=O)NCCCc2c[nH]c3ccccc23)c(O)c1O	179486921	YVUAIOJFUBVCTD-UHFFFAOYSA-N	324.380	3.250	10	20	DGCD	
C[C@@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1	184292363	WSQMBPDCSKALRN-VFCRVFHLSA-N	308.491	3.095	10	20	DGCD	
COC[C@H](N[C@H](C)c1cc(OC)ccc1O)c1ccc(C)o1	185630400	BDKYTQICKQTWOK-DOMZBBRYSA-N	305.374	3.341	10	20	DGCD	
Cc1csc([C@H]2COCCN2Cc2cccc(Cl)c2O)n1	190406770	BYUNIMUITPQIGJ-CYBMUJFWSA-N	324.833	3.384	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC2CC(C)(C)NC(C)(C)C2)c1	192935067	JGFQUPFHYFAJNE-GFCCVEGCSA-N	306.450	3.361	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccnn2C(C)C)cc1	268865017	ZSZHFDPBFQSHIJ-UHFFFAOYSA-N	314.433	3.240	10	20	DGCD	
C[C@@H](NC1CCN(C2CCC2)CC1)c1ccc(N(C)C)cc1	269013672	ODMCAZKFAUPANT-OAHLLOKOSA-N	301.478	3.420	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccccc2O)cc1[N+](=O)[O-]	271639931	GTOFQBHOGQBTNR-LLVKDONJSA-N	302.330	3.160	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCCOC(C)C)c1	273395262	FILWDUWNESKRKW-ZDUSSCGKSA-N	309.406	3.035	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCCc1ccccc1F	280542387	OKNKXWZKMCDWGR-UHFFFAOYSA-N	316.376	3.306	10	20	DGCD	
CC[C@H](NCCCO[C@@H]1CCOC1)c1cccc(Cl)c1O	287677327	MLKVMVIBZGABNX-DOMZBBRYSA-N	313.825	3.282	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1ccc(N)cc1	382758314	SXVBOOSOTRRSNN-OAHLLOKOSA-N	324.428	3.007	10	20	DGCD	
O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H](O)Cc2ccccc21	435041338	PJXWIJBMOXABRC-WHWKNOJMSA-N	310.353	3.032	10	20	DGCD	
CO[C@@H](C1CC1)[C@H](C)NCc1c(O)cccc1Br	706881080	LXTYEQUPPVIWNJ-LKFCYVNXSA-N	314.223	3.058	10	20	DGCD	
C[C@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O	724925215	JUODFVNZULHSHF-WCQYABFASA-N	324.396	3.191	10	20	DGCD	
Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccn1	726869785	VHTHCIKHCIUJJC-UHFFFAOYSA-N	324.409	3.213	10	20	DGCD	
CN(C)c1ccc2cc(NC(=O)c3cc(O)cs3)ccc2n1	732277884	VFTNPENYHOQVRF-UHFFFAOYSA-N	313.382	3.320	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCSC2)cc1	743691885	UYEZLSGKQDBHDC-HNNXBMFYSA-N	321.490	3.180	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1	745819826	GUIFUAVQWOJLOS-JKSUJKDBSA-N	318.417	3.169	10	20	DGCD	
C[C@H]1C[C@@H](NC2CCC3(CC2)OCCO3)c2c(O)ccc(F)c21	756416495	HRKAMLTZRSXBIQ-SMDDNHRTSA-N	321.392	3.355	10	20	DGCD	
C[C@@H](N[C@@H]1CCSC1)c1cc(Br)cc(F)c1O	756730869	CAVAHPSCJHHFHC-VXNVDRBHSA-N	320.227	3.450	10	20	DGCD	
CC(=O)c1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1	765568522	TYRMZFLSEWLWGL-UHFFFAOYSA-N	310.397	3.194	10	20	DGCD	
Cc1ccc(O)c(CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)c1	769501748	ORRHKRDENKVULU-XYJFISCASA-N	300.446	3.007	10	20	DGCD	
C[C@H](NC(=O)N1CCOC(C)(C)[C@@H]1C)c1ccc(N(C)C)cc1	773626308	SPVPQPWEBKNPFY-KBPBESRZSA-N	319.449	3.023	10	20	DGCD	
CCCN(Cc1ccc(N(C)CC)nc1)c1ccc(CN)cc1	775141033	UWIUPOAHRQYYLP-UHFFFAOYSA-N	312.461	3.413	10	20	DGCD	
C[C@@H](NC[C@@H]1CCC=CO1)c1ccc(N2CCOCC2)c(F)c1	783302620	FPJXRZWSQBHEBI-ZBFHGGJFSA-N	320.408	3.006	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccnc(C2CC2)c1	783590096	UTEQRMXMWQZHTA-UHFFFAOYSA-N	322.408	3.473	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)CCC(C)(C)O)cc2)CC1	787331400	KAZSQDWSWMFCGC-UHFFFAOYSA-N	318.461	3.090	10	20	DGCD	
O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(O)c1O	788628435	ZBHFJSWMZHTAQC-UHFFFAOYSA-N	312.350	3.474	10	20	DGCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cn1	792446767	DTWBLZAFPVYPAA-KFEJWOFMSA-N	318.760	3.037	10	20	DGCD	
Cc1ccccc1-n1nccc1CNCc1ccc2c(c1)CCO2	792951958	VYVLOBMMFVCHTO-UHFFFAOYSA-N	319.408	3.405	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)c1ccccc1	807837152	CUPWDFTZOLZORU-UHFFFAOYSA-N	324.163	3.198	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)C(=O)NC(C)(C)C)c1O	808684429	NVOXLMUEQPEZSH-QWRGUYRKSA-N	312.841	3.308	10	20	DGCD	
CCCCNC(=O)OC[C@H]1CCCCN1Cc1ccccc1O	809690621	AQLSPRMHHGTYDY-MRXNPFEDSA-N	320.433	3.273	10	20	DGCD	
CO[C@H](C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	812347850	PFNZCSAQFNVQRV-TZMCWYRMSA-N	318.392	3.386	10	20	DGCD	
CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(C)(C)OC1=O	814179608	WGNISQVIGNNYME-LLVKDONJSA-N	318.200	3.225	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](c3ccnn3C)C2)ccc1N(C)C	815021819	UHSHBUDFUSJRKL-QGZVFWFLSA-N	312.461	3.174	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@H]2CN(CC(C)C)CCO2)c(O)c1	815553440	AGFMEICIYFTGCC-IAGOWNOFSA-N	320.477	3.016	10	20	DGCD	
CC(C)CO[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816520147	HNFNSTGRROKXOR-GFCCVEGCSA-N	301.789	3.432	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCCC2(C)C)c1O	816665215	XSDAAVQZICFUFB-GFCCVEGCSA-N	308.378	3.225	10	20	DGCD	
CON1CCC(N[C@H](C)c2ccc3ccccc3c2O)CC1	817587510	GEDQHTOZMFFTPC-CYBMUJFWSA-N	300.402	3.222	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc(C)n1	817590420	WTEJJPRKJJIYKA-GFCCVEGCSA-N	301.346	3.163	10	20	DGCD	
CN1CCCc2cc(CN[C@H]3C[C@@H](N)c4ccccc43)ccc21	817900030	JSTQKOPMTQWSJL-MOPGFXCFSA-N	307.441	3.303	10	20	DGCD	
C[C@H](O)CN(Cc1cc(Cl)cc(Cl)c1O)CC(F)F	825098788	OKFBPVWNHBDXBC-ZETCQYMHSA-N	314.159	3.147	10	20	DGCD	
C[C@@H](C[C@H]1CCOC1)NCc1ccc(Br)cc1O	825347402	LECDKQBDACZHKB-WDEREUQCSA-N	314.223	3.059	10	20	DGCD	
Cc1ccc([C@H](C)NCc2nc(-c3ccccn3)n[nH]2)c(O)c1C	834904333	OWIYCYUTMJBUEY-ZDUSSCGKSA-N	323.400	3.040	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cccs1	839913586	MGSSETGJTFZLCP-ZDUSSCGKSA-N	302.443	3.484	10	20	DGCD	
CC[C@H](C)[C@@H](OC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839921149	IBQJCXRBCIYKQF-DHSIGJKJSA-N	320.477	3.169	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC1(C)C	840480698	YAMKRSZCICHACC-AWEZNQCLSA-N	303.450	3.186	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCNC[C@@H]1c1ccccc1	841101304	RVAOCDMKFWXXBU-MRXNPFEDSA-N	302.805	3.192	10	20	DGCD	
CCCC[C@H](C)N(CCCC)C(=O)C(=O)Nc1ccc(N)cc1	841135103	FECPRNPSIZTQCQ-AWEZNQCLSA-N	319.449	3.415	10	20	DGCD	
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Nc1ccc(N)cc1	841299217	XBHRGWAFHXSSNJ-GJZGRUSLSA-N	305.422	3.326	10	20	DGCD	
CN(CCCNC(=O)Nc1ccc(N)cc1)C1CCCCC1	841302263	RNCAGJVNEMKJBV-UHFFFAOYSA-N	304.438	3.045	10	20	DGCD	
Oc1ccc(Cl)cc1CNc1nccc(N2CCCC2)n1	845709538	UDXWYOCTQFTVKU-UHFFFAOYSA-N	304.781	3.048	10	20	DGCD	
COc1cc(NCc2ccc(N(C)C)cc2C(F)(F)F)[nH]n1	858231712	VNNMIRXHWUKPMO-UHFFFAOYSA-N	314.311	3.115	10	20	DGCD	
CCCCn1ncc(NC(=O)NCc2cc(C)ccc2O)c1C	860807240	ULOBUYLKWOAMJZ-UHFFFAOYSA-N	316.405	3.327	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(C)(C)C2)c1	861405857	VBLSUVHVQXGCKU-UHFFFAOYSA-N	310.397	3.389	10	20	DGCD	
Nc1ccc(-n2cc(CN[C@@H]3CCCc4ccccc43)nn2)cc1	864619187	AROKPTQLMDSNIK-LJQANCHMSA-N	319.412	3.017	10	20	DGCD	
C/C(=C/C1CCC(C)CC1)C(=O)NCc1ccc(O)c(O)c1	866770313	VKOMWCNXEFGXJC-LCYFTJDESA-N	303.402	3.487	10	20	DGCD	
C[C@@H](NCC(=O)NCCC1CCCCC1)c1ccccc1O	879648687	ZFMZVZWUTHZLBV-CQSZACIVSA-N	304.434	3.129	10	20	DGCD	
FC(F)c1cc(NCCCSc2nccs2)ncn1	892515278	LCGSSHLGSQJJNX-UHFFFAOYSA-N	302.375	3.465	10	20	DGCD	
CCc1ccc(C)nc1NCc1ccc(OC)c(OC)c1O	895329950	LBHOZATYQPQJOR-UHFFFAOYSA-N	302.374	3.287	10	20	DGCD	
Cc1cc(CCNC(=O)N2CCCC2)c(C)n1-c1ccccc1	914460649	CJQZPDSOBMIVIA-UHFFFAOYSA-N	311.429	3.442	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)cc1	915925388	MPKDPTMJNAYSHN-ULQDDVLXSA-N	315.461	3.378	10	20	DGCD	
CNC(=O)c1cccc(CN[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)c1	1116585214	UBIHOUAWDWPURT-CJNGLKHVSA-N	324.424	3.398	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@H](CO)CC2CCOCC2)c(O)c1	1117749722	AEIGXYVSJGKAAH-WBVHZDCISA-N	321.461	3.085	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@@H]1CC[C@H](CC(=O)O)[C@@H]1C	1595894628	NYOTYPULDRPMDH-YSVLISHTSA-N	304.434	3.251	10	20	DGCD	
C[C@H](NCCN(C)C1CCCCC1)c1cc(C(=O)O)ccc1O	1609782342	ZUCSHZUJFCVRLH-ZDUSSCGKSA-N	320.433	3.006	10	20	DGCD	
CC/C(C)=C\C(=O)NC[C@H](C)CNCc1ccc(OC)c(C)c1	1753612512	HFYCVRHJDPRZOV-KQGZCTBQSA-N	318.461	3.202	10	20	DGCD	
COc1ccc(O)c(CNc2cc3c(cc2Cl)OCO3)c1	36969626	WCGYDOAVAYQYHB-UHFFFAOYSA-N	307.733	3.395	10	20	DGCD	
Cc1ccsc1CNCc1ccc(N2CCOCC2)cc1	69672855	FGMUMWJPDLUMDO-UHFFFAOYSA-N	302.443	3.183	10	20	DGCD	
NCC[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O	70148608	JMTKXEPGYVJZTM-LBPRGKRZSA-N	303.233	3.402	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccncc1	78892808	ARAUDJCEQUQLKV-UHFFFAOYSA-N	311.429	3.129	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2cc(F)ccc2F)c1	176007516	LRGVOVRKXOBJKE-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
C[C@H](c1ccsc1)N1CCN(Cc2ccccc2O)CC1	184971047	IAQGPICBZUJOHA-CQSZACIVSA-N	302.443	3.333	10	20	DGCD	
C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(F)cc1O	186094717	YBUVGPXLCIWQDP-WSVYEEACSA-N	307.390	3.120	10	20	DGCD	
COC1(CN[C@@H](C)c2cc3c(cc2O)CCCC3)CCOCC1	186147026	ZIMNAAYRDNVHLJ-AWEZNQCLSA-N	319.445	3.117	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CCOC[C@H]3C)cc2)CC1	192557242	DQCMPDYESOKVIK-VQIMIIECSA-N	302.462	3.438	10	20	DGCD	
Nc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1	228391671	VAYTXDYJYXOGJR-QWHCGFSZSA-N	300.324	3.254	10	20	DGCD	
CC(C)[C@@H](CNC(=O)NCc1ccccc1O)c1cccnc1	267651759	WFVYADPBDZCNLT-MRXNPFEDSA-N	313.401	3.026	10	20	DGCD	
Cn1ccc(/C=C2\SC(=S)N(C(C3CC3)C3CC3)C2=O)c1	270585538	GUGSCSFZQQNBIK-JYRVWZFOSA-N	318.467	3.415	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCc2cnccn2)cc1F	272716298	DMCSTAPGJVVJTO-UHFFFAOYSA-N	316.424	3.136	10	20	DGCD	
C[C@H](Cn1ccnc1)N[C@H](C)c1ccc(Br)cc1O	273301161	BNHIOTSIZWRLKU-GHMZBOCLSA-N	324.222	3.091	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H](CO)Cc2ccc(F)cc2)c(O)c1	273513180	SEFOJZSQEYRDAD-BBRMVZONSA-N	303.377	3.094	10	20	DGCD	
C[C@@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O	287136565	RYJCBBNPAVCNFL-CXAGYDPISA-N	302.393	3.485	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@@H](n2cc(Cl)cn2)C1	290901149	MCNCOGAVXYMKPD-LLVKDONJSA-N	312.200	3.343	10	20	DGCD	
C[C@H](NCc1cc(F)ccc1O)[C@@H]1OCCc2sccc21	292695950	BTVQPWWLCWKPCQ-QFYYESIMSA-N	307.390	3.385	10	20	DGCD	
CCN(Cc1cc(OC)ccc1O)C[C@@H](O)c1ccc(C)cc1	305779368	NFPJMUAGDLKDTE-LJQANCHMSA-N	315.413	3.265	10	20	DGCD	
CC[C@H](CNCc1cc2c(cc1O)OCO2)CC(F)(F)F	402549399	DMNBHOSQXLLGEW-VIFPVBQESA-N	305.296	3.189	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2cccc(F)c2O1	588513003	YOWCZKLZISCYBC-ISALQUGTSA-N	316.307	3.187	10	20	DGCD	
Cc1ccc2c(c1)OCCN2C(=O)/C=C\c1scnc1C	588519056	BGQGGQQYAVUMGM-WAYWQWQTSA-N	300.383	3.199	10	20	DGCD	
C[C@H](NCc1c(O)cccc1Br)[C@@H]1CCCOC1	706808402	LVEZIJANXVGAMG-WDEREUQCSA-N	314.223	3.059	10	20	DGCD	
C[C@H](CNCc1cc(Cl)cc(Cl)c1O)Cn1cccn1	725847438	LRISZCLXVYBOSO-SNVBAGLBSA-N	314.216	3.321	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccn1	725849117	HVJCXZDIYMOMBS-VIFPVBQESA-N	307.737	3.200	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCSC2)c(C)n1-c1ccc(F)cc1	742777833	HGIVMQMDCGSNAZ-CQSZACIVSA-N	318.417	3.469	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1O	745876736	UTHIGBHMDPPZMI-GZBFAFLISA-N	318.417	3.169	10	20	DGCD	
COc1cccc(CNC(=O)c2cnc3ccccc3c2C)c1O	748848447	JJNWJABOQHKSCX-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
CN(C)c1ccc(/C=C/c2ncc(/C=C/C(=O)O)s2)cc1	751035021	DRJVFHZYRZCWJR-MUDDOMJDSA-N	300.383	3.477	10	20	DGCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CC12CCC2	759715052	ZUDLWZMQDATZDY-MRXNPFEDSA-N	316.470	3.046	10	20	DGCD	
Cc1ccc(F)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1F	766386526	LJNJYSKWALTFAG-UHFFFAOYSA-N	322.330	3.408	10	20	DGCD	
CSCCCNC(=S)N[C@H](C)c1ccc(N(C)C)cc1	774252888	DLCONWLMHATTQW-GFCCVEGCSA-N	311.520	3.031	10	20	DGCD	
CC[C@H](N[C@@H](C)CN1CCCC1=O)c1cc(Cl)ccc1O	775491291	HQHFFXBCJOBNRS-FZMZJTMJSA-N	310.825	3.097	10	20	DGCD	
CC[C@H](NCCN1CCSCC1)c1cc(Cl)ccc1O	775503216	DOCZPQWCOIPIMP-AWEZNQCLSA-N	314.882	3.135	10	20	DGCD	
CC[C@H](NC1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1O	775504320	XKDWXNWWDHYGRK-WMZOPIPTSA-N	318.461	3.076	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)cc1)Cc1ccoc1	775674714	KXDKYQXLTIUHRD-UHFFFAOYSA-N	313.445	3.054	10	20	DGCD	
COc1ccc(O)c(CNc2cc(OC)c(OC)cc2F)c1	775749933	OSJVAIMULODCCF-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
CO[C@H](CNCc1cc(Br)cc(C)c1O)C(C)C	776219338	FQJBEUWCMAJKEI-CYBMUJFWSA-N	316.239	3.224	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@H](Cc3ccccc3)C2)cc1	776693102	SJTBYFVMHBVXIG-HXUWFJFHSA-N	310.441	3.196	10	20	DGCD	
CCN(CC(=O)c1cc(C)[nH]c1C)c1ccc(OC)c(OC)c1	777606513	DMRMFGFKAXSOPY-UHFFFAOYSA-N	316.401	3.358	10	20	DGCD	
C[C@H](O)CCCN[C@@H](C)c1cc(Br)cc(F)c1O	788604266	JGIRTHKKNHAORR-IUCAKERBSA-N	320.202	3.105	10	20	DGCD	
CCOc1c(Cl)cccc1CC(=O)NCc1ccccc1O	790794800	SCURPGBOOYKZCC-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCOc1ccc(F)cc1	790949153	KEGCZYIVROETKM-UHFFFAOYSA-N	313.731	3.492	10	20	DGCD	
OC[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1	796306931	GLJVCLDNABPHFF-FQEVSTJZSA-N	322.452	3.110	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1coc(CC)n1	801549372	LQXHYOXUKXTWSH-UHFFFAOYSA-N	302.374	3.385	10	20	DGCD	
C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(N(C)C)cc1	810000981	SSWZNFXCYKKABA-CQSZACIVSA-N	310.397	3.109	10	20	DGCD	
O=C(OC1CCOCC1)N(Cc1ccccc1O)C1CCCC1	810050422	BFDNKXZJDNJUAN-UHFFFAOYSA-N	319.401	3.452	10	20	DGCD	
NC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1F	812346416	QWDYTTZMBDURGE-UHFFFAOYSA-N	312.703	3.035	10	20	DGCD	
CO[C@H](C)[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	812347446	KWEMXGZXFKEJHM-HUUCEWRRSA-N	300.402	3.247	10	20	DGCD	
Cc1cc(CN[C@@H](CO)c2cccc(F)c2)ccc1N(C)C	815087606	WVNZGXQKVQWZHZ-KRWDZBQOSA-N	302.393	3.023	10	20	DGCD	
CC1=CC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC1	816539206	WLYYCZLUMCWSJA-LJQANCHMSA-N	314.473	3.484	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c(O)c1O	817115329	VQBWGEQILKVUQF-HNNXBMFYSA-N	311.381	3.426	10	20	DGCD	
CCCN1C[C@@H](CN[C@@H](C)c2ccc(N(C)CC)cc2)CC1=O	817588457	FTCFHXWGJRISDB-JKSUJKDBSA-N	317.477	3.052	10	20	DGCD	
CSCC1CCC(NC[C@H](N)c2ccc(N(C)C)cc2)CC1	817942347	OISOFGHHVJPDFM-PVARCSIZSA-N	321.534	3.264	10	20	DGCD	
C[C@H](NC[C@H]1CCCNC1)c1ccc(Cl)c(Cl)c1O	817945653	IVJZLNXFFCYUBO-UWVGGRQHSA-N	303.233	3.349	10	20	DGCD	
O=[N+]([O-])c1cc(CN2CC[C@H](F)C2)ccc1N1CCCCC1	824572227	VMLYSYWZZUOUIX-AWEZNQCLSA-N	307.369	3.129	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc3c([nH]2)CCCC3)c1	825736775	JKDMZAZYOVGCDA-NSHDSACASA-N	314.385	3.099	10	20	DGCD	
CC[C@@H]1CCC[C@H]1CNC(=O)NCc1cccc(OC)c1O	838648311	HFUXKVLRGXDRMV-OLZOCXBDSA-N	306.406	3.026	10	20	DGCD	
CCOc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c(O)c1	840956101	AWWBLKDFEPLMET-FUHWJXTLSA-N	313.397	3.099	10	20	DGCD	
C[C@@H](C[C@@H](C)N)NCc1ccc(OCc2ccccc2)cc1O	843129968	VUJTWOPRHYYCRJ-CABCVRRESA-N	314.429	3.187	10	20	DGCD	
CCC(CC)(C(=O)NCc1ccccc1O)C(=O)OC(C)(C)C	845833233	ITTKBBIMEUJGKI-UHFFFAOYSA-N	321.417	3.157	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cccc(OC)c2OC)c1O	846140910	IUAWYTJIQGLGTI-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
C/C(=C\c1ccco1)C(=O)N1CCOc2cc(N(C)C)ccc21	846898544	GZXQBAWPZSPMNB-ACCUITESSA-N	312.369	3.175	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](C)Cc1cnc[nH]1	848046765	ZHWKVTATWXDUQM-CQSZACIVSA-N	315.417	3.123	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCc3ccccc3NC2=O)cc1C	848560715	JXBRKAWUGDIIJO-QGZVFWFLSA-N	310.397	3.052	10	20	DGCD	
CCc1cccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1O	848891545	ZYOWWLUIFSRUNE-APWZRJJASA-N	314.473	3.403	10	20	DGCD	
Cc1ncn(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1	853718459	KAOVKXJLBANPLJ-UHFFFAOYSA-N	308.385	3.185	10	20	DGCD	
COc1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1	858087799	LAVWVEZTCXIDGP-UHFFFAOYSA-N	306.356	3.329	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2c3ccccc3O[C@H]2C)c1	858460930	FHVUNFYQWUBARX-SJCJKPOMSA-N	312.369	3.022	10	20	DGCD	
Cc1cc(CN2CCc3nc[nH]c3C2)ccc1N1CCCCC1	859306189	SBHPOANKQHUYMY-UHFFFAOYSA-N	310.445	3.267	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1	862760343	QMGXCSJJXDJZBM-ZFWWWQNUSA-N	317.335	3.399	10	20	DGCD	
O=C(O)C[C@@H](NCc1ccc2c(c1)CCO2)C1CCCCC1	864520135	LBIHFISYEVOMMG-MRXNPFEDSA-N	303.402	3.135	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCCC2)cc1)[C@@H](O)C(F)(F)F	865712213	YADMNMJLJUHEQE-SWLSCSKDSA-N	316.367	3.078	10	20	DGCD	
CC(=O)N1CCC[C@@H]1c1noc(-c2ccc(-n3cccc3)cc2)n1	867075931	PZKAMYDHNRNYNN-MRXNPFEDSA-N	322.368	3.211	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCCF)cc1F	884137592	QNAZZVWYERGRFW-UHFFFAOYSA-N	313.392	3.173	10	20	DGCD	
COc1ccc(CN2CCC[C@H]2c2cc(C)no2)c(O)c1OC	891717353	DWDALBNVGNSIPQ-ZDUSSCGKSA-N	318.373	3.043	10	20	DGCD	
COc1cc(C)cc(CN(C)[C@H](C)Cc2ccc(O)cc2)c1O	894020551	HJPYAYDNCQGDGE-CQSZACIVSA-N	315.413	3.478	10	20	DGCD	
COc1ccc(CNCc2cc(C)cc(Cl)n2)c(O)c1OC	894258100	IVYZIVYDOQKJCK-UHFFFAOYSA-N	322.792	3.056	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCO[C@@H](C(C)C)C1	932944596	YFCZNJUWXGGZSM-MAUKXSAKSA-N	318.461	3.128	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)Nc1c(Cl)ccc2nonc12	1120344213	MCESSSZDIFVNTJ-RJRFIUFISA-N	318.695	3.062	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)CC2CC2)cc1C	1133482048	KGYKLJYVGGYEIS-LSDHHAIUSA-N	318.461	3.177	10	20	DGCD	
CC(C)OC(=O)[C@@H](NCc1ccc(N2CCCC2)cc1)C(C)C	1261256560	LRFXLJDMXMZRME-SFHVURJKSA-N	318.461	3.353	10	20	DGCD	
Cc1ccc(C2=CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1	1346003561	VFUZPBQMAGLRHM-UHFFFAOYSA-N	306.409	3.436	10	20	DGCD	
CC[C@H](C)C[C@@H](NCc1cc(Cl)cc(OC)c1O)C(=O)O	1594954324	XUQHDADMHXJFKP-JOYOIKCWSA-N	315.797	3.033	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc(N=S(C)(C)=O)cc1	1600831603	FSEIBTLWLQKTDB-UHFFFAOYSA-N	323.370	3.224	10	20	DGCD	
COCC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	60345352	CLXKQFMZPMANTK-GFCCVEGCSA-N	318.392	3.388	10	20	DGCD	
CN(C)c1ccc(CN2CCO[C@]3(CCc4ccccc43)C2)cc1	93637863	FNVMYWQYDMOFKN-OAQYLSRUSA-N	322.452	3.427	10	20	DGCD	
COc1ccc(NCc2ccc(N3CCOCC3)cc2)c(C)c1	102598162	RMVYIDWYKSNTLK-UHFFFAOYSA-N	312.413	3.452	10	20	DGCD	
C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)Cc1ccccc1O	121143242	CNAHBKXCZZYZET-RBSFLKMASA-N	304.434	3.002	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1csc2c1CCCC2	122462405	PZYLHCKVDSNAKG-UHFFFAOYSA-N	317.410	3.011	10	20	DGCD	
CN1CCc2cc([C@@H]3NC(=O)c4c(Cl)cccc4N3)ccc21	130293196	XHMAUDZGNDRTLH-INIZCTEOSA-N	313.788	3.186	10	20	DGCD	
CN(Cc1cc2c(cc1O)CCCC2)Cc1nccn1C(F)F	159722758	IUAHCJNZOXWTED-UHFFFAOYSA-N	321.371	3.495	10	20	DGCD	
Cc1c(C(=O)N(C)Cc2ccccc2O)cnn1CCC(C)C	162616933	MDBLUQVEGWKKSE-UHFFFAOYSA-N	315.417	3.215	10	20	DGCD	
CC(C)[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	172229927	TXUGYWVUWSOMKU-ZBFHGGJFSA-N	305.418	3.192	10	20	DGCD	
C[C@H](NC1CCN(CC2CC2)CC1)c1ccc(N(C)C)cc1	178254465	BAGBICGNSUNGJJ-HNNXBMFYSA-N	301.478	3.278	10	20	DGCD	
C[C@@H](NCCCn1cccn1)c1cc(Br)ccc1O	181008809	GNZPKQIBSOIUOO-LLVKDONJSA-N	324.222	3.092	10	20	DGCD	
Cc1cc(C)cc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)c1	181115659	MNPDVINMDYYORO-GQCTYLIASA-N	311.381	3.087	10	20	DGCD	
CSc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1	183482908	HHZJICLEPKUATJ-NSHDSACASA-N	317.410	3.181	10	20	DGCD	
C[C@H](NC[C@H]1CCCC[C@@H]1O)c1cc2c(cc1O)CCCC2	185531530	QWBGWQBSOZDKOI-XCRHUMRWSA-N	303.446	3.473	10	20	DGCD	
CCOc1cccc(CN2CCC[C@]2(CO)CC(C)C)c1O	188038484	RTRVCERRJMTZTR-GOSISDBHSA-N	307.434	3.164	10	20	DGCD	
Cc1cccc(F)c1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	194002793	YINLNGYZEHHNLU-NSHDSACASA-N	318.348	3.298	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	194978358	NNMWSABKNLREGW-BZSNNMDCSA-N	300.446	3.319	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1coc(C2CCC2)n1	195345999	WMFGVHBMHQVAJV-UHFFFAOYSA-N	313.401	3.280	10	20	DGCD	
C[C@H](NCC1(NC(=O)OC(C)(C)C)CCC1)c1ccccc1O	230406513	UMUYRNWFKBRHOZ-ZDUSSCGKSA-N	320.433	3.490	10	20	DGCD	
COc1ccc(CN(C(=O)Cc2ccc(N)cc2)C2CC2)cc1	237282569	FINCINOOCOGMAQ-UHFFFAOYSA-N	310.397	3.011	10	20	DGCD	
C[C@@H](CCc1cccc(F)c1)C(=O)NCCc1ccc(N)cc1	237327043	CTLHILSNNGYBBR-AWEZNQCLSA-N	314.404	3.336	10	20	DGCD	
CN1C(=O)/C(=C/c2ccc(Br)s2)SC1=S	255312902	VFXBGZPCGQMEPQ-XQRVVYSFSA-N	320.258	3.342	10	20	DGCD	
C[C@H](CC[S@](C)=O)N[C@H](C)c1ccc(N2CCCCC2)cc1	271534978	SLKVFRGTBFXOKU-MCFFVMPBSA-N	322.518	3.485	10	20	DGCD	
CCN1CCC(N[C@@H](C)c2cc3c(cc2O)CCCC3)CC1	273387052	JTQCQEQAWYXPEX-AWEZNQCLSA-N	302.462	3.406	10	20	DGCD	
CC[C@@H](C)[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	277181132	FHQTZKWCRSDONH-PBHICJAKSA-N	304.434	3.266	10	20	DGCD	
CC[C@@H](C)c1nc([C@@H](C)NCc2ccc3c(c2)CCO3)n[nH]1	277458755	QBZNKBCFLKRHBP-VXGBXAGGSA-N	300.406	3.104	10	20	DGCD	
C[C@H](NCC1([S@@](C)=O)CC1)c1cc(Cl)c(Cl)cc1O	282464060	VTNMDWSXHBWEAS-WPCRTTGESA-N	322.257	3.261	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	286869525	YRSKWIKSGHZKMT-ARFHVFGLSA-N	317.429	3.363	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H](CC)c1ccc(C)cc1O	293700193	LZBRVRQGFTYYSA-GOEBONIOSA-N	306.450	3.294	10	20	DGCD	
Cc1ccccc1[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	294799470	DXRNLTMNLUYHPL-GFCCVEGCSA-N	315.344	3.175	10	20	DGCD	
COc1cc2c(cc1N[C@@H]1CCc3cccc(O)c31)NC(=O)CC2	296247037	BAYVPBHAYSVGKJ-CYBMUJFWSA-N	324.380	3.385	10	20	DGCD	
OCC1(NCc2ccc(N3CCCCC3)cc2)CCCCC1	314955395	WOQCJFXJBSOQDW-UHFFFAOYSA-N	302.462	3.462	10	20	DGCD	
CO[C@@H]1CCCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C	352080364	XVTBKHTVGDNIDQ-MAUKXSAKSA-N	314.429	3.308	10	20	DGCD	
C[C@@H](NCc1ncc(Br)s1)c1ccccc1O	714928396	XYTPJWOQPWZULU-MRVPVSSYSA-N	313.220	3.462	10	20	DGCD	
CO[C@@H](C)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1	726547372	FEHYTLUJQKQSII-HNNXBMFYSA-N	300.402	3.249	10	20	DGCD	
CCNC(=O)c1cccc(CNCc2c(O)cccc2Cl)c1	733325135	ZYPHJVCBJGMDNX-UHFFFAOYSA-N	318.804	3.085	10	20	DGCD	
COc1ccc(Cl)c(NC(=S)NCc2ccccn2)c1	742975489	LFMZIKHIBKFITF-UHFFFAOYSA-N	307.806	3.230	10	20	DGCD	
O=C(CC(F)(F)F)N(Cc1ccco1)Cc1ccccc1O	743428800	MIFWEENUWLHDQC-UHFFFAOYSA-N	313.275	3.466	10	20	DGCD	
CC[C@H](C[C@@H](C)CO)NCc1cc(Br)ccc1O	743499932	QFKWBOMXMYDLIJ-ZWNOBZJWSA-N	316.239	3.041	10	20	DGCD	
COc1ccc(NC(=O)NCc2ccccc2O)cc1Cl	748439092	UVXQAADYTXYGRO-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
COc1ccccc1OCCN[C@@H](C)c1ccc(F)cc1O	756369180	AYWWGJRPAGCWOT-LBPRGKRZSA-N	305.349	3.270	10	20	DGCD	
COc1nc(C)cc(C)c1CN[C@@H](C)c1cc(F)ccc1O	756533661	GDJPSQLEHIDKOA-LBPRGKRZSA-N	304.365	3.403	10	20	DGCD	
C[C@@H]1C[C@H](NCCCOC[C@@H]2CCOC2)c2c(O)ccc(F)c21	756607143	ZJDNFGTUBQUOTL-IPYPFGDCSA-N	323.408	3.112	10	20	DGCD	
CCO[C@@H](CCN[C@H](C)c1cc(C(=O)OC)ccc1O)C(C)C	756629307	PFVMLLKYOBTXKG-DYVFJYSZSA-N	323.433	3.281	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1O	756710078	ABGHMLAIBZTLQW-NHYWBVRUSA-N	321.804	3.438	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](F)c1ccccc1	769000594	CLWLIXRLDJDPMZ-QGZVFWFLSA-N	300.377	3.388	10	20	DGCD	
CCN(CC)C[C@@H]1CCN(Cc2ccc(N(C)CC)cc2)C1	773754287	LNRHVJZNFJPIJT-SFHVURJKSA-N	303.494	3.306	10	20	DGCD	
C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1	780296709	CFJIBJHGIJKCFJ-HOCLYGCPSA-N	301.434	3.275	10	20	DGCD	
O=C(NCC1(c2ccccc2)CCC1)c1c(F)ccc(O)c1O	789946866	QVEQJJHWSQOKGR-UHFFFAOYSA-N	315.344	3.089	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2nc(C(C)C)n[nH]2)cc1	794257187	KXKOCEIWIHOSCG-UHFFFAOYSA-N	315.465	3.406	10	20	DGCD	
CC[C@H](N[C@H](C(=O)N1CCCC1)C(C)C)c1ccc(F)cc1O	796818539	VBINUGWCYVABJA-RDJZCZTQSA-N	322.424	3.219	10	20	DGCD	
CN(C)CCN(Cc1ccc(N(C)C)c(F)c1)Cc1ccco1	809745599	DLEMEGFKLHCTOG-UHFFFAOYSA-N	319.424	3.049	10	20	DGCD	
COC(=O)c1ccc(CN2CCCCc3cc(OC)ccc32)[nH]1	811508157	CYXHRSUWBHHVAO-UHFFFAOYSA-N	314.385	3.153	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)C[C@H]3CCCN3C)c2c1	817372902	LHCKPRVVICDODD-OAHLLOKOSA-N	314.429	3.080	10	20	DGCD	
COc1ccc([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)cc1	817938359	JKJVGUQYRRGWMK-AUUYWEPGSA-N	313.445	3.112	10	20	DGCD	
C[C@@H](NC1CCC(N)CC1)c1ccc(Br)cc1O	817948070	UDPDAXCNNWZWML-OIKLOGQESA-N	313.239	3.075	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(Cl)no1	823662609	KPISHSRZEZEJNU-LLVKDONJSA-N	321.808	3.063	10	20	DGCD	
CCOc1ccc(CNCc2cc(F)cnc2Cl)c(O)c1	824537699	HCFPYRNWWSTQNJ-UHFFFAOYSA-N	310.756	3.268	10	20	DGCD	
COC(=O)c1cnc(SCCc2ccc(OC)cc2)s1	829692375	KMOIPALYZRRUTF-UHFFFAOYSA-N	309.412	3.273	10	20	DGCD	
C[C@@H](NC[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	840878954	AHRPAUOPAYETQO-DGCLKSJQSA-N	307.340	3.097	10	20	DGCD	
COc1cc(O)c(CNC[C@H]2CCC[C@@H]2C2CC2)cc1OC	840954721	MSQCGOCRZUKMCO-UKRRQHHQSA-N	305.418	3.325	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H](c1ccccc1)N(C)C	841296685	XEKVRXUIDHCAAQ-GUYCJALGSA-N	312.417	3.082	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@@H](c2cccs2)C2CC2)cc1	841673480	RODXXILPHQGNJT-MRXNPFEDSA-N	315.442	3.323	10	20	DGCD	
CCC1(CC)CCN(C(=O)NCCc2ccc(N)cc2)CC1	841959420	NUBFYCNCTOFHPI-UHFFFAOYSA-N	303.450	3.423	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1	844353135	HXHQVMVKMLSPOA-HNNXBMFYSA-N	312.413	3.351	10	20	DGCD	
C[C@@H](NCc1ccc(CN)cc1F)c1ccc(N(C)C)cc1	844926414	ZUXGVGJQPTYCJD-CYBMUJFWSA-N	301.409	3.201	10	20	DGCD	
CCc1cccc(CN(C)CC(=O)Nc2ccc(C)cc2)c1O	848876393	IGBHHWYDBVGHLY-UHFFFAOYSA-N	312.413	3.334	10	20	DGCD	
CCc1cccc(CNc2ccc(CS(C)(=O)=O)cc2)c1O	848892203	OGZBNUGXEQBLST-UHFFFAOYSA-N	319.426	3.111	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1c(Cl)cnn1CC	857098141	AKSJFRIEULXTCN-UHFFFAOYSA-N	321.808	3.314	10	20	DGCD	
O[C@H]1C[C@@H](CNCc2ccc3c(c2)CCN3Cc2ccccc2)C1	858295490	BRHDBZAIGVBZAK-PUZFROQSSA-N	322.452	3.110	10	20	DGCD	
CCC(O)(CC)CN(C)Cc1cccc(Br)c1O	862538909	GGWHXOXWZJTFKH-UHFFFAOYSA-N	316.239	3.138	10	20	DGCD	
CN=[S@@](C)(=O)c1cccc(NCc2cc(OC)ccc2O)c1	864014616	TZKNNANRZDEERJ-QFIPXVFZSA-N	320.414	3.099	10	20	DGCD	
CCCc1c(C(=O)N(C)c2ccc(N)cc2)[nH]c(C)c1C(C)=O	877078092	CLFINTLEDOCYDB-UHFFFAOYSA-N	313.401	3.337	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1cccc(N2CCOCC2)c1	882909230	OXTHBTLAXXLIKG-UHFFFAOYSA-N	320.339	3.119	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)Cc2ccc(OC)c(OC)c2O)C1(C)C	892102052	REYOSEVFFMAJKU-HUUCEWRRSA-N	323.433	3.045	10	20	DGCD	
COc1cccc(C2(NCc3cc(C)cc(OC)c3O)CC2)c1	894330879	XJQGXTLKKBAKIB-UHFFFAOYSA-N	313.397	3.497	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NC/C=C/Cl)cc1	899054749	DUPKKUKVZMMFDK-IZZDOVSWSA-N	309.841	3.427	10	20	DGCD	
C[C@@](O)(CNCc1ccc2c(c1)CCCO2)c1cccs1	921768893	MIPUIYVWGJRLSF-QGZVFWFLSA-N	303.427	3.070	10	20	DGCD	
c1cc2c(cc1CNCCCO[C@H]1CCCCO1)CCCO2	922233129	UQIUDDTXVUPLNK-SFHVURJKSA-N	305.418	3.035	10	20	DGCD	
CC[C@@H](C)C(=O)N1CCC[C@@H]1CNCc1ccc(OC)c(C)c1	1034864063	SRQFCUKPTJQIGV-RHSMWYFYSA-N	318.461	3.130	10	20	DGCD	
CCC(CC)CC(=O)NCCCNCc1ccc(OC)c(C)c1	1169371617	VPMNSLKHTUGDMV-UHFFFAOYSA-N	320.477	3.426	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1Cc2ccccc2NC1=O	1329755012	PGSHFRLEBQCVIZ-UHOFOFEASA-N	322.408	3.402	10	20	DGCD	
Oc1c(F)cc(F)cc1CN(Cc1ccco1)C[C@@H]1CCCO1	1334343243	VJSWAMGNBYTLLQ-HNNXBMFYSA-N	323.339	3.445	10	20	DGCD	
O=C(O)C[C@H](Cc1ccccc1)NCc1cccc(Cl)c1O	1602113519	FVUWIZDYOCUAGW-AWEZNQCLSA-N	319.788	3.221	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(CSC)cc2)c1O	105652902	MXELRSBJSZCGDK-UHFFFAOYSA-N	317.410	3.194	10	20	DGCD	
O=C(O)[C@@H]1CC12CCN(Cc1c(O)ccc3ccccc13)CC2	405369240	NQQLDIAKYIPQHR-INIZCTEOSA-N	311.381	3.232	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H](SC)c2ccccc2)c1	172404512	UBKIJNUQNSAOBN-INIZCTEOSA-N	317.410	3.121	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C2CC2)CC1	123773649	MJKVSOKLXTXQNL-UHFFFAOYSA-N	301.434	3.084	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cc1	187062381	NKHRYXZDQSXCEC-UHFFFAOYSA-N	305.399	3.427	10	20	DGCD	
COc1ccc(C)cc1NCc1ccc(N2CCOCC2)cc1	120146975	MCQBLXHIKZVEFE-UHFFFAOYSA-N	312.413	3.452	10	20	DGCD	
COc1cccc2c1OC[C@H](N[C@@H](C)c1ccc(C)cc1O)C2	185334734	BHRHPJRVPOOGAD-DZGCQCFKSA-N	313.397	3.364	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CCSC	77643520	MYSPHADZALBDRR-CQSZACIVSA-N	323.506	3.426	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCc2nc(C)c(C)s2)c1	185797546	RATOBWBQCXXQAO-LLVKDONJSA-N	306.431	3.367	10	20	DGCD	
Cc1ccc([C@H](CNCc2ccccc2O)N2CCCC2)o1	237634769	IZOSBNUDBUDJDB-INIZCTEOSA-N	300.402	3.220	10	20	DGCD	
CN(Cc1nc2ccccc2s1)C(=O)Cc1ccc(N)cc1	237254299	SCINUTYFXQFYSA-UHFFFAOYSA-N	311.410	3.080	10	20	DGCD	
CCOc1cccc(CNCCc2cc(F)cc(F)c2)c1O	236933551	PEHQQUCCYHUQHQ-UHFFFAOYSA-N	307.340	3.401	10	20	DGCD	
C[C@H](NCc1ncn(C)n1)c1ccc(N2CCCCCC2)cc1	90970076	BUBGEBLXKNDSNF-HNNXBMFYSA-N	313.449	3.046	10	20	DGCD	
COc1cc(O)c(CN2C[C@H](C)[C@H]3CCCC[C@H]32)cc1OC	248416838	JBJFYXSHUBABNA-NWANDNLSSA-N	305.418	3.420	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCc2c(Cl)cccc21	255899583	JOSKQRXHGPVSEK-PLNGDYQASA-N	302.736	3.477	10	20	DGCD	
COc1ccc(CNC(=O)CC2(c3ccccc3)CC2)c(O)c1	529227776	KKQJEOGLVMCIKV-UHFFFAOYSA-N	311.381	3.139	10	20	DGCD	
CC1(C)[C@H](C(F)(F)F)CCN1Cc1cc2c(cc1O)OCO2	276277837	YWXMMMPSFKBNCK-CYBMUJFWSA-N	317.307	3.284	10	20	DGCD	
CCOc1cccc(CN[C@H]2CCO[C@H](C(C)(C)C)C2)c1O	270676037	RNSJCRSJBMWSEW-HOCLYGCPSA-N	307.434	3.474	10	20	DGCD	
OC[C@@]1(NCc2cc(Cl)ccc2O)CCCc2ccccc21	374147105	HGPXWSFOBZTAEQ-SFHVURJKSA-N	317.816	3.359	10	20	DGCD	
Oc1cc2c(cc1CNC[C@H]1CCC3(CCCCC3)O1)OCO2	276594651	FCMVIRVYLDTXHT-CQSZACIVSA-N	319.401	3.092	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@]2(CCOC2)C1)c1cc(Cl)ccc1O	376299096	AIQOYTBOBIYCPY-DETPVDSQSA-N	311.809	3.034	10	20	DGCD	
CC[C@H](N[C@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1O	287314420	DAZQVOGYGKCYFH-KBPBESRZSA-N	310.825	3.096	10	20	DGCD	
CC[C@H](NCc1cccc(N(C)C)n1)c1ccc(F)cc1O	286202109	RISPEJPHNSBQIE-HNNXBMFYSA-N	303.381	3.233	10	20	DGCD	
Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(O)cs1)N(C)C	807491711	ADSRFQUZTUABJE-LRDDRELGSA-N	318.442	3.183	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(C)oc1C	293152043	BUSALOOTBADNJS-UHFFFAOYSA-N	301.390	3.020	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c1	817940784	HSXVBHSSCKEOEE-KBXCAEBGSA-N	313.445	3.117	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2cc3ccccc3n(C)c2=O)c1	813881867	WPHGQQXLECNRQR-CQSZACIVSA-N	322.408	3.403	10	20	DGCD	
C[C@H](N[C@@H]1CCCC[C@H]1N)c1cc(Br)ccc1O	818615031	KTMIYGRDTZEWNY-ZWKOPEQDSA-N	313.239	3.075	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)nc1	817944301	ZASUBBGCJZSUED-MLGOLLRUSA-N	318.852	3.152	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@H](C)C3)C2)cc1	819585848	IPMFNZRLGCMWQN-ARFHVFGLSA-N	316.445	3.074	10	20	DGCD	
Cc1cc(CN(C)CCc2cnccn2)ccc1N1CCCCC1	828604564	TUQFQQKHXDBNBY-UHFFFAOYSA-N	324.472	3.450	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F	824715100	HQNLEOBRZORQCM-QGPMSJSTSA-N	306.425	3.017	10	20	DGCD	
COc1cc(O)c(CNCCc2cc(C)ccc2F)cc1OC	824977079	JKKXJQSACUZCSA-UHFFFAOYSA-N	319.376	3.189	10	20	DGCD	
CN(c1ccccc1)C1CCN(C(=O)c2cc(O)cs2)CC1	732272840	FARYVKVALOFWKG-UHFFFAOYSA-N	316.426	3.195	10	20	DGCD	
CCO[C@@H]1CCC[C@H]1NC1CCN(c2ccc(OC)cc2)CC1	825284714	ZROTWWVEXGRBLM-RTBURBONSA-N	318.461	3.211	10	20	DGCD	
CC(C)C[C@](C)(CNCc1ccc2c(c1)CCCO2)C(=O)O	900053886	MWOLHDLHDGIGEP-GOSISDBHSA-N	305.418	3.238	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)Cc2cn[nH]c2)c1C	733981965	ZCNPOHRDRXESOM-UHFFFAOYSA-N	322.412	3.398	10	20	DGCD	
COc1ccc([C@@H](NC(=O)c2cc(O)cs2)C2CC2)cc1	731868714	QSYXLHCTOGLFES-HNNXBMFYSA-N	303.383	3.343	10	20	DGCD	
Cc1ccc(C(=O)NCCCSc2nccs2)c(O)c1C	736682176	LBBDVWDCFSEGDA-UHFFFAOYSA-N	322.455	3.378	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccccc1O)c1ccccc1OC	748461471	YOTSCFRBWPUKMQ-HNNXBMFYSA-N	314.385	3.351	10	20	DGCD	
CN(CCNCc1c(O)cccc1Cl)Cc1ccc(F)cc1	749116058	IFFJPYIIAHBTKP-UHFFFAOYSA-N	322.811	3.406	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1O	842884375	JAKKVTPLHHYNAP-CABCVRRESA-N	304.434	3.141	10	20	DGCD	
C[C@H](CC(=O)N(C)Cc1ccccc1O)N1CCc2ccccc21	847570444	PCTXKZXGMGALMD-OAHLLOKOSA-N	324.424	3.192	10	20	DGCD	
CCN(CC)c1ccc(CNCCN2CCC[C@H]2C)cc1F	742386610	JJLFAAJSYNTVBZ-OAHLLOKOSA-N	307.457	3.246	10	20	DGCD	
C[C@@H](CNC(=O)c1cc(O)cs1)Oc1ccccc1Cl	743717342	AVEODYRHGXIGHI-VIFPVBQESA-N	311.790	3.304	10	20	DGCD	
CC(C)OC(=O)c1ccc(COC(=O)c2cc(O)cs2)cc1	747055572	WANFPHMANDBMQQ-UHFFFAOYSA-N	320.366	3.376	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC(C)(C)[C@H]1[C@H]1CCCO1	840946072	DZOYMFDQMNHWLS-QZTJIDSGSA-N	302.462	3.450	10	20	DGCD	
CCc1cccc(CNCc2nc3cc(F)ccc3n2C)c1O	848897226	GRQMZJSZXPMGDC-UHFFFAOYSA-N	313.376	3.270	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1cncnc1C	848552959	GTBAUIXLNMPTOR-HOCLYGCPSA-N	312.461	3.441	10	20	DGCD	
Cc1c(CNCc2cc(-c3ccccc3)ccc2O)cnn1C	758550569	XQYPUPOKJFIFDU-UHFFFAOYSA-N	307.397	3.391	10	20	DGCD	
C[C@@H](NCC=C(Cl)Cl)c1ccc(N2CCOCC2)cc1	851895109	BUYAEILYJACMLV-GFCCVEGCSA-N	315.244	3.493	10	20	DGCD	
CC[C@H]1CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1	850565911	JQHSYDRHADMLKN-LPHOPBHVSA-N	302.462	3.316	10	20	DGCD	
CCCCC[C@@H](C)NC(=O)CN(C)c1ccc(OC)cc1OC	752112155	OMWFBTYYJZNAND-CQSZACIVSA-N	322.449	3.225	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cccc2c1CCCC2	758168725	DYOWQWAJOGVVGA-UHFFFAOYSA-N	321.373	3.211	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)c1ccc(F)cc1	765750713	KJOKJVYNURDMNH-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
CCOCc1cc(CNCc2ccc(F)cn2)ccc1OC	763519243	QCVYFENVBMSDEU-UHFFFAOYSA-N	304.365	3.056	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC(=O)[C@@H]3CCOC3)c2C)c1	863160875	CTQNWIFGYWCFAQ-MRXNPFEDSA-N	312.413	3.055	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)N(CC)C(C)C)CC2)cc1	1116598669	QKGACAXOOXZZOM-UHFFFAOYSA-N	319.449	3.058	10	20	DGCD	
CC(C)(C)OC(=O)CCNCc1cc(Cl)cc(F)c1O	776215859	IOGRLFYRAACRPS-UHFFFAOYSA-N	303.761	3.006	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)N3CC(F)(F)C3)c2C)cc1	781063552	NXKCTMFBBNKVPR-UHFFFAOYSA-N	320.339	3.194	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)C[C@H](C)O	783630838	KZURZIXLLWKUJX-MFKMUULPSA-N	306.431	3.045	10	20	DGCD	
COc1cc(C)cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O	894983372	CNHAMGAVAACUFC-DLBZAZTESA-N	319.445	3.082	10	20	DGCD	
CC[C@@H](NCCCNc1ccccn1)c1ccc(F)cc1O	796794955	ZJIKKHVIKKRHEU-OAHLLOKOSA-N	303.381	3.469	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](c1cccnc1)c1ncc[nH]1	794800521	DGPZUUFAIYHCOL-GOSISDBHSA-N	321.428	3.058	10	20	DGCD	
OCCN(Cc1cc(Cl)cc(F)c1O)[C@@H]1C[C@H]2CC[C@H]1C2	793328264	LYBVUHQXUXPRSX-ZIBATOQPSA-N	313.800	3.168	10	20	DGCD	
COc1ccc(CNC(=O)c2sccc2SC)c(O)c1	794378491	WFTONHWZEWSYFK-UHFFFAOYSA-N	309.412	3.114	10	20	DGCD	
COc1ccc(CNC(=O)C2(Cc3ccccc3)CC2)c(O)c1	794381705	RULKGXFBYLCNBQ-UHFFFAOYSA-N	311.381	3.040	10	20	DGCD	
C[C@H](CCO)C1(CNCc2c(O)ccc(Cl)c2F)CCC1	790991701	ZOJYZRZUZPRVGK-LLVKDONJSA-N	315.816	3.463	10	20	DGCD	
CCCC(=O)NCCC1=CCN(c2ccccc2[N+](=O)[O-])CC1	1089804908	YHBWYAPQRUAZFQ-UHFFFAOYSA-N	317.389	3.038	10	20	DGCD	
Oc1cc(Br)ccc1CNCCC[C@H]1CCOC1	691405430	UNUXHTVQYFPQAI-NSHDSACASA-N	314.223	3.061	10	20	DGCD	
COCCC1(CNC(=O)NCc2ccc(N)cc2)CCCCC1	1336859620	QSIDZPUQPFAKKZ-UHFFFAOYSA-N	319.449	3.055	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](c1nncn1C)C(C)C	1353932180	GXVYTGFVVAFUKS-IIYDPXPESA-N	314.433	3.364	10	20	DGCD	
CCCC[C@@H](CN)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	1577397048	LAOFIAAKEDXDCA-KRWDZBQOSA-N	313.445	3.341	10	20	DGCD	
CNCCc1ccccc1C(=O)N(C)c1ccc(F)c(F)c1	1578715698	CNANDGHJKLHCCJ-UHFFFAOYSA-N	304.340	3.003	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CCC[C@H]3C[C@H]32)cc1	1776861165	JSPFEEHCZVMECK-KVSKMBFKSA-N	316.445	3.266	10	20	DGCD	
CC1(C)CC(NCc2ccc(N3CCCCC3)cc2)(C(=O)O)C1	1776537997	FFULJJYXSRCLDG-UHFFFAOYSA-N	316.445	3.410	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C)[C@H](C(=O)O)C(C)C)c(C)c1	1776857033	APDVZLCTOFVEDG-RHSMWYFYSA-N	306.450	3.286	10	20	DGCD	
CSC[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	151033071	GBHMJMCDIFIPHM-OLZOCXBDSA-N	312.454	3.064	10	20	DGCD	
O=C(O)[C@H]1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)CC1	904056695	KFAXBHGLTRGYJP-DKTWLAJQSA-N	318.200	3.432	10	20	DGCD	
Cc1ccc(-n2c(C)cc(C(=O)CSCCO)c2C)cc1F	7199129	VIMASUJMVBWBAJ-UHFFFAOYSA-N	321.417	3.450	10	20	DGCD	
Cc1ccc(F)cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O	109769626	ZOSYNQQDCSYJQQ-CYBMUJFWSA-N	316.376	3.299	10	20	DGCD	
CC(C)(C)CCS(=O)(=O)NCc1ccc(N2CCCC2)cc1	172088773	INNZGIJWXKDPFM-UHFFFAOYSA-N	324.490	3.142	10	20	DGCD	
O=[N+]([O-])c1ccc(NCCc2ccc(O)c(O)c2)c(Cl)c1	301574963	MAKMOGOSMDJODU-UHFFFAOYSA-N	308.721	3.314	10	20	DGCD	
CC[C@](C)(NCc1cc([N+](=O)[O-])ccc1O)c1nc(C)cs1	174499411	ZXNDCUQSKDZDDJ-HNNXBMFYSA-N	321.402	3.480	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)c(O)c1O	179439108	LIJJHRKLNCQOHA-UHFFFAOYSA-N	323.352	3.059	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCN(C2CCCCC2)C1	177677439	HIKCNLNYHJEJHE-MRXNPFEDSA-N	316.445	3.005	10	20	DGCD	
C[C@@H](Nc1cnn(CCO)c1)c1ccc(N2CCCCC2)cc1	305832300	OXBHQIAQWNENRS-OAHLLOKOSA-N	314.433	3.039	10	20	DGCD	
CC(C)Oc1ncccc1NC(=O)N(C)Cc1ccccc1O	125237888	RVCIDEUUVJALJR-UHFFFAOYSA-N	315.373	3.238	10	20	DGCD	
CSCC[C@@H](C)N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	317413666	TZVGZSKSUGVWKG-OKPNEXGHSA-N	324.402	3.270	10	20	DGCD	
CCSCC[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	76786617	IJDDUKKNXWBHEI-CQSZACIVSA-N	323.506	3.426	10	20	DGCD	
C[C@@H](NCCCSc1nccs1)c1cccc(CO)c1	121885427	QZYTVKBWCQXYOC-GFCCVEGCSA-N	308.472	3.468	10	20	DGCD	
CC(C)c1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1	131206786	JJRGRQOMSXLCKE-UHFFFAOYSA-N	321.421	3.402	10	20	DGCD	
N#Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c[nH]1	181230944	YDNNUMWURYLQJN-UHFFFAOYSA-N	321.336	3.028	10	20	DGCD	
CCc1ccc(C(C)(C)C(=O)NCCc2ccc(N)cc2)cc1	237148165	JJDKSVHLPXGMCG-UHFFFAOYSA-N	310.441	3.468	10	20	DGCD	
Cc1cc(C(=O)N(C)CCCC(=O)O)c(C)n1-c1ccccc1	237021476	VQEZTLOWQLHGQM-UHFFFAOYSA-N	314.385	3.031	10	20	DGCD	
COC(=O)c1cc(CN(C)Cc2cc(C)c(C)cc2O)oc1C	247822241	INJOTYKHGKDHGL-UHFFFAOYSA-N	317.385	3.329	10	20	DGCD	
COC[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)[C@H]1CCCO1	278838961	PKECFUCEGVMFMS-XVGQJIODSA-N	319.445	3.116	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCC(=O)[C@@H]2C)cc1	280037493	WKPSXTBOQSDYBB-ZBFHGGJFSA-N	316.445	3.154	10	20	DGCD	
CC[C@H](NCc1ncn(C)n1)c1cc(Cl)cc(Cl)c1O	287762217	QXMVWXILCXSADQ-NSHDSACASA-N	315.204	3.068	10	20	DGCD	
Cc1noc([C@H]2CCCN2Cc2c(O)ccc(Cl)c2F)n1	809721672	XGOJYCCMFPWHOQ-LLVKDONJSA-N	311.744	3.213	10	20	DGCD	
C[C@@H](CN[C@H](C)c1ccc(Br)cc1O)CN(C)C	293714134	PBZZJOZPAABSEJ-WDEREUQCSA-N	315.255	3.003	10	20	DGCD	
CCCCNC(=S)NCc1cc(Cl)cc(Cl)c1O	806597730	CNSKCHRXHXXYKC-UHFFFAOYSA-N	307.246	3.463	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CCO[C@]3(CCSC3)C1)CC2	297028266	UQHWBLGCCOCYDT-CKEIUWERSA-N	305.443	3.024	10	20	DGCD	
COCCOCCCN[C@@H](C)c1cc(Cl)cc(C)c1O	808673636	RGUBHPBDMRPTCY-LBPRGKRZSA-N	301.814	3.058	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@](C)(O)C(F)(F)F)c1O	808708568	NHHFOJZAXVZSFM-PELKAZGASA-N	311.731	3.318	10	20	DGCD	
Oc1ccccc1[C@H](CCc1ccccc1)NC[C@@H]1CCCN1	817953266	YFJIBWMYPBAFSJ-HKUYNNGSSA-N	310.441	3.408	10	20	DGCD	
Cc1cc(C)c([C@@H](C)Nc2ccc3c(c2)C(=O)NCC3)c(O)c1	815613101	GGVZSPYXRNZSBP-CYBMUJFWSA-N	310.397	3.468	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCCCC(=O)C2)cc1F	813429643	IPGWVTQZVALCKE-CQSZACIVSA-N	320.408	3.047	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1O	827923471	REUGCFJOPVXPGV-OAHLLOKOSA-N	324.424	3.479	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](CO)Cc1ccccc1	840931086	RXNQTYYMELVZSZ-GOSISDBHSA-N	312.457	3.002	10	20	DGCD	
CCCC[C@H](CN)NCc1cc(Br)cc(C)c1O	841028660	GHUFQUMGHDKAIZ-CYBMUJFWSA-N	315.255	3.070	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C(C)C)C2CCCC2)cc1	844353418	WLSVIPMETPCEFO-UHFFFAOYSA-N	304.434	3.311	10	20	DGCD	
CC(C)(C)SCCNC(=O)NCc1cc(Cl)ccc1O	844948566	CPPSVAFDDKWWJY-UHFFFAOYSA-N	316.854	3.377	10	20	DGCD	
Cc1nc(-c2c[nH]c(C(=O)NCc3ccccc3O)c2)cs1	748350621	YUGXQRPZNGMVDX-UHFFFAOYSA-N	313.382	3.082	10	20	DGCD	
C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)CC(F)(F)F	845261407	IIMZAYDKYJWMLN-QMMMGPOBSA-N	324.730	3.433	10	20	DGCD	
COC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1	749948189	IPJAZVSARQYXTP-GOSISDBHSA-N	312.413	3.249	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@]1(C)CCO[C@@H]1C1CC1	840937135	HWEZEORQJVZLKC-RTBURBONSA-N	302.462	3.356	10	20	DGCD	
C[C@@H](NCc1cccc2c1OCCO2)c1cc(F)ccc1O	756702573	ARHLFMUGKLYKRB-LLVKDONJSA-N	303.333	3.153	10	20	DGCD	
C[C@H](NCc1cc(C2CC2)n(C)n1)c1cc(F)cc(F)c1O	927108383	NQCGNBADVMUBTG-VIFPVBQESA-N	307.344	3.132	10	20	DGCD	
C[C@H](NCCCNc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756589554	MFNHRWLDUXXEFK-ZDUSSCGKSA-N	315.373	3.453	10	20	DGCD	
Fc1cc(CN[C@H]2CC23CCCCC3)ccc1N1CCOCC1	858190435	CBKGMUGQFGJJRM-SFHVURJKSA-N	318.436	3.475	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@H]2COc3ccccc32)cc1F	858165240	PQCCBBACIYRTNV-ZDUSSCGKSA-N	318.367	3.297	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2COc3cc(F)ccc3C2)c1	850536090	BREUQXCGFAPQEO-BXUZGUMPSA-N	317.360	3.194	10	20	DGCD	
C[C@@H](NC[C@H](O)COc1ccccc1)c1cc(Cl)ccc1O	756396761	JZTLUIIYICIXTO-OCCSQVGLSA-N	321.804	3.136	10	20	DGCD	
COc1ccccc1C(C)(C)C(=O)NCc1cc(C)ccc1O	862758772	KPNNSWYZKGSOGL-UHFFFAOYSA-N	313.397	3.303	10	20	DGCD	
C[C@@H](CN(C)Cc1cc2c(cc1O)OC[C@@H]2O)c1ccccc1	768449048	DARQYBBEQLIJHF-UGSOOPFHSA-N	313.397	3.054	10	20	DGCD	
O=C([C@@H]1CC12CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1	760124796	MAMXTNQPRZUWRZ-CVEARBPZSA-N	315.413	3.090	10	20	DGCD	
COc1ccc(N(CC2CC2)C(=O)Cc2ccc(N)cc2)cc1	877144782	WDZGIRWLDAOSMF-UHFFFAOYSA-N	310.397	3.263	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)CC2(O)CCCCCC2)c1O	778286077	JNYUDGHLXDMYLT-UHFFFAOYSA-N	323.408	3.251	10	20	DGCD	
CN(Cc1ccccc1O)[C@@H]1CCCN(Cc2ccccc2)C1	770510157	ZPFZQIWZHNSDJD-LJQANCHMSA-N	310.441	3.489	10	20	DGCD	
CCCN(Cc1ccc(N2CCC(O)CC2)cc1)CC(F)F	876657643	QEBXTLODFQDJKU-UHFFFAOYSA-N	312.404	3.125	10	20	DGCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21	779527090	HINDEOBBOAYERL-CSKARUKUSA-N	309.365	3.435	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)CC(=O)OC(C)(C)C	779347638	LVSUXMICZSYHDC-CQSZACIVSA-N	306.450	3.271	10	20	DGCD	
C[C@H]1OCC[C@H]1CN(Cc1ccco1)Cc1ccccc1O	878240773	KUELRRIMHBBOSV-CABCVRRESA-N	301.386	3.412	10	20	DGCD	
CCOc1ccc(N2CCN(CCCOC(C)(C)C)CC2)cc1	1116415602	CAZZFCHJNYZEDK-UHFFFAOYSA-N	320.477	3.413	10	20	DGCD	
Cc1ccc(N2C(=O)/C(=C\c3ccn(C)n3)SC2=S)cc1	773147090	ZPSNGFUEPQODRU-UKTHLTGXSA-N	315.423	3.134	10	20	DGCD	
CCN(C)c1ccc(CN(C)[C@H]2CCN(CC)[C@H](C)C2)cc1	773757061	YIFRJURBCFGZNN-APWZRJJASA-N	303.494	3.447	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)c1O	775059031	HIUFGHFKWORFNK-GMXVVIOVSA-N	308.378	3.223	10	20	DGCD	
COc1cc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)ccn1	788581922	CHUXHXJDOOLSAA-GFCCVEGCSA-N	303.381	3.146	10	20	DGCD	
COc1cc(C)cc(CNC(C)(C)c2c(C)noc2C)c1O	894756943	NXYFRLDBOADYMR-UHFFFAOYSA-N	304.390	3.339	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCCOC1CCSCC1	898440820	VOKOTNLNFRYCLV-UHFFFAOYSA-N	319.829	3.187	10	20	DGCD	
CCc1c(NC(=O)c2ccc(C)c(O)c2O)cnn1CC(C)C	780996720	ZSEIILMOLMDFFR-UHFFFAOYSA-N	317.389	3.073	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N2CCSCC2)cc1	795783018	DUJPIVZVTDIIQZ-UHFFFAOYSA-N	321.490	3.133	10	20	DGCD	
COc1ccc(CNC(=O)c2csc3c2CCCC3)c(O)c1	794383514	QTHBWHPPEJVHTR-UHFFFAOYSA-N	317.410	3.271	10	20	DGCD	
CCc1nc(Cl)c(C)c(NCc2ccc(OC)cc2O)n1	795286082	ZDKZAAWZTDLIAS-UHFFFAOYSA-N	307.781	3.327	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CC[C@H](CN2CCCC2)C1	1319711309	IKMJJXGNLCMBOG-LJQANCHMSA-N	313.489	3.205	10	20	DGCD	
Cc1ccn(-c2cccc(C(=O)N(C)Cc3ccccc3O)c2)n1	1251330633	LEWDUYSNLVTECN-UHFFFAOYSA-N	321.380	3.159	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(=O)O)cc2F)c(OC)c1	1607268522	ZJGFNJHXNBBQLJ-UHFFFAOYSA-N	319.332	3.178	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2cccc(C(=O)O)c2)cc1F	1573991202	CQRRFKLPTAWRQQ-UHFFFAOYSA-N	320.339	3.019	10	20	DGCD	
Cc1c(C(=O)O)cc(CN[C@H](C)c2ccc(Cl)cc2O)n1C	1599995873	VSRCFVVEBIQUDP-SECBINFHSA-N	322.792	3.242	10	20	DGCD	
C[C@H](NCc1cc(F)cnc1Cl)c1cc(C(=O)O)ccc1O	1593291610	AGDUJDXGRWEQQO-QMMMGPOBSA-N	324.739	3.129	10	20	DGCD	
CCN1CCc2cc(CN[C@H]3CCC[C@H](C(=O)O)CC3)ccc21	1776877512	PANPZQQHDFIUKP-RDJZCZTQSA-N	316.445	3.192	10	20	DGCD	
CCN(CC)c1ccc(/C=C/c2cnc(C(=O)O)cn2)cc1F	1776860381	LGYFXGVDLIHRFS-FNORWQNLSA-N	315.348	3.331	10	20	DGCD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(N)cc1	204173061	PBRPIUPQRJFJQZ-ZTFGCOKTSA-N	318.461	3.362	10	20	DGCD	
C[C@@H](NCc1cccnc1-n1cccn1)c1ccc(N(C)C)cc1	151447484	XFCZQVMAIJKXLW-OAHLLOKOSA-N	321.428	3.184	10	20	DGCD	
C[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)CN1Cc1ccccc1	398187760	YPNLTPUOXPBHOJ-KDOFPFPSSA-N	324.428	3.053	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(NC(N)=O)cc1	79001173	INHJPUHZPRWLEJ-CYBMUJFWSA-N	312.417	3.094	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC(C)(C)CC(C)C)c1	83724459	VTPNGYMCAKLCFC-UHFFFAOYSA-N	308.422	3.272	10	20	DGCD	
CC[C@H](NC[C@@](C)(O)CC)c1cc(Br)ccc1O	87011735	KUFFPFOGWGXKSY-JSGCOSHPSA-N	316.239	3.356	10	20	DGCD	
COc1cc(CN(C)Cc2ccccc2O)cc(OC)c1OC	91974571	TXNGZSBKQYJSQB-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
CCn1c(C)cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1C	103528966	REBFHMFVWUDQMY-GFCCVEGCSA-N	316.401	3.330	10	20	DGCD	
Cc1cc(C(=O)OCCOC(C)C)c(C)n1-c1ccccn1	120090378	RRPHNLODGPCDDY-UHFFFAOYSA-N	302.374	3.071	10	20	DGCD	
CC[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	132906838	OJOUYAGMFBTHSP-MRXNPFEDSA-N	321.465	3.318	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cccc(F)c2Cl)c1	173579209	HSWYHUYCHXIMMW-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)NCc3ccc[nH]3)c2C)cc1	174327483	OYBYTWHRJFLVBY-UHFFFAOYSA-N	323.396	3.361	10	20	DGCD	
O=C(C1=CCCCO1)N(Cc1ccco1)Cc1ccccc1O	177915452	FFWLGHFEEBKWJR-UHFFFAOYSA-N	313.353	3.208	10	20	DGCD	
Oc1ccccc1CN(Cc1ccccc1O)C[C@H]1CCCO1	179552808	JNUHOAUEGCVGHM-QGZVFWFLSA-N	313.397	3.279	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)c2cc(C)cc(C)c2)c1	182392189	DMFRLUNHPCCALU-LIRRHRJNSA-N	315.413	3.402	10	20	DGCD	
COc1cc(NC(=O)NCc2ccc(N(C)C)cc2)ccc1F	187049815	BJLPIZMVABPHQV-UHFFFAOYSA-N	317.364	3.222	10	20	DGCD	
C[C@@H](NCC[C@@](C)(O)c1ccccc1)c1cc(F)ccc1O	187904764	KZCGWMMDDDTUOU-FZKQIMNGSA-N	303.377	3.480	10	20	DGCD	
CO[C@](C)(C(=O)N(C)Cc1ccccc1O)c1ccccc1F	192166330	UKKOKXAKTXCWMU-SFHVURJKSA-N	317.360	3.052	10	20	DGCD	
COCCO[C@@H]1CCCN(Cc2c(O)ccc3ccccc23)C1	193417204	XOKBOKYKCROIOH-MRXNPFEDSA-N	315.413	3.173	10	20	DGCD	
CC[C@H](CNC(=O)Cc1ccc(N)cc1)Oc1ccccc1C	262609331	CPGXLPXEBVLHDR-QGZVFWFLSA-N	312.413	3.094	10	20	DGCD	
C[C@H](NCc1ccc([C@@H](C)O)cc1)c1cc([N+](=O)[O-])ccc1O	273379227	HUJWQENDLBJLKT-NWDGAFQWSA-N	316.357	3.205	10	20	DGCD	
CCN(C)C(=O)[C@H](C)NCc1cc(-c2ccccc2)ccc1O	276755545	UEFCTVGLNZLURL-AWEZNQCLSA-N	312.413	3.016	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCCCC1)c1ccc(C)cc1O	280207922	TXKWLLOXJFGKOI-MRXNPFEDSA-N	304.434	3.144	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)Nc1cncc(F)c1	282038074	UHBBIYHYUCJCFQ-UHFFFAOYSA-N	314.364	3.143	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1nc(C)oc1C	294553918	FMNNTXYJHVTTBT-UHFFFAOYSA-N	302.374	3.440	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1Cc1ccc(F)cc1	369129126	BCCVDYORJDJRKI-AWEZNQCLSA-N	315.344	3.084	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1	378214197	BODGAEJZTWKQEW-FQEVSTJZSA-N	324.424	3.095	10	20	DGCD	
CC1(C)C[C@@H](NCc2c(O)cccc2Br)CCO1	706875017	KWPYYSDHPZFZEU-JTQLQIEISA-N	314.223	3.202	10	20	DGCD	
C[C@H](NC[C@@H]1CCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O	724925209	JUODFVNZULHSHF-AAEUAGOBSA-N	324.396	3.191	10	20	DGCD	
COc1ccc(OC)c(NC(=S)NNc2ccc(F)cc2)c1	726433976	CQEVXVOJQWWUPW-UHFFFAOYSA-N	321.377	3.156	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2scnc2Cl)c1	728983362	YQPLVAFYDNSBNM-SSDOTTSWSA-N	312.778	3.002	10	20	DGCD	
C[C@H]1CCc2ccccc2N1C(=O)CN(C)Cc1ccccc1O	731843867	ZTEULFMVCHYVQR-HNNXBMFYSA-N	324.424	3.192	10	20	DGCD	
CCn1cc(CN(C)Cc2cc(C(C)(C)C)cc(O)c2O)cn1	733790067	BOXFKYDSWLNBGS-UHFFFAOYSA-N	317.433	3.244	10	20	DGCD	
CN(Cc1ccccc1O)[C@@H](C(=O)O)c1cccc(Cl)c1	737493656	HEZQYDCNWSTRSR-OAHLLOKOSA-N	305.761	3.303	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](C)CN2CCCC2)cc1F	740003896	ASJXOEBTNIMMLX-INIZCTEOSA-N	321.484	3.493	10	20	DGCD	
C[C@H](NC1CCOCC1)c1cc(Br)c(F)cc1O	756434232	VIMNZOSIEMQLBC-QMMMGPOBSA-N	318.186	3.123	10	20	DGCD	
Cc1cccc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1O	763453374	RLOGVCJDRKHPLY-IEBWSBKVSA-N	315.388	3.096	10	20	DGCD	
CCCCCN(CCO)Cc1cc(Br)ccc1O	768241545	STFIHCCHYRNDEH-UHFFFAOYSA-N	316.239	3.139	10	20	DGCD	
CCOC(=O)[C@H](C)N(Cc1ccc(N(C)CC)cc1)C1CC1	773887126	BIQPZBFZILEYKV-AWEZNQCLSA-N	304.434	3.059	10	20	DGCD	
CCCN(Cc1cn(-c2ccccc2)nn1)c1ccc(CN)cc1	775139661	DQGXTIOBWASYJW-UHFFFAOYSA-N	321.428	3.143	10	20	DGCD	
CC[C@@H](NCc1ccc(OCCOC)nc1)c1ccccc1O	775488644	PVFAPVRZVYKUNA-MRXNPFEDSA-N	316.401	3.053	10	20	DGCD	
CC[C@@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccccc1O	775522170	LDLBOTKTEMNQIL-GOEBONIOSA-N	305.418	3.161	10	20	DGCD	
CN(C)CCN(Cc1ccc(N(C)C)c(F)c1)C1CCCC1	779171728	MLHLTXJALNVXLH-UHFFFAOYSA-N	307.457	3.198	10	20	DGCD	
COC(=O)[C@H](NCc1cc(Cl)ccc1O)c1ccccc1F	779179705	XOEGSILZEPOKFU-OAHLLOKOSA-N	323.751	3.189	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CCCc2ccsc2)cc1	783032910	AYJUJDRLGUWJBZ-UHFFFAOYSA-N	302.443	3.453	10	20	DGCD	
C[C@H](O)CCCNCc1ccc(OCc2ccccc2)cc1O	789758203	QMWCONNDZTYHBP-HNNXBMFYSA-N	315.413	3.222	10	20	DGCD	
CC[C@H](N[C@H](C)c1nnnn1C1CC1)c1cc(Cl)ccc1O	790755322	MVBJCIOZTYNOHA-RNCFNFMXSA-N	321.812	3.169	10	20	DGCD	
OCCCC1CCN(Cc2c(O)ccc(Cl)c2F)CC1	792173378	DWFYWTFFQDQOHS-UHFFFAOYSA-N	301.789	3.169	10	20	DGCD	
CC(C)(C(=O)COC(=O)c1cc(O)cs1)c1ccccc1	795507656	VLBJYFNQSKRVNM-UHFFFAOYSA-N	304.367	3.157	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(C)nnc1C	801550226	SHWHDOGMVDCWBE-UHFFFAOYSA-N	313.401	3.242	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C)CN2CCCC2=O)c1O	808679314	KSFNYWHHWBNIRS-NEPJUHHUSA-N	310.825	3.016	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ncsc2C(C)C)c1	808914388	IHGNCGLXQZAYGB-UHFFFAOYSA-N	321.402	3.302	10	20	DGCD	
C[C@@]1(CCCO)CCCN1Cc1c(O)ccc(Cl)c1F	809757723	SFBWHSRPVWYWAZ-HNNXBMFYSA-N	301.789	3.312	10	20	DGCD	
CCOc1ccc(CNCC2(COC)CCCCC2)c(O)c1	810178647	WXEGCNKFXYQDOM-UHFFFAOYSA-N	307.434	3.477	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCSC1	810247771	WPJSULJGRXEQOC-INIZCTEOSA-N	318.486	3.436	10	20	DGCD	
C[C@H](NC(=O)NCC1CC(F)(F)C1)c1ccc(N(C)C)cc1	813720434	UUKSNUUJCPLJFE-NSHDSACASA-N	311.376	3.158	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H]3CCC34CCC4)C2)cc1	818342101	LOUYAKKCLVVXTL-MAUKXSAKSA-N	300.446	3.444	10	20	DGCD	
COCCc1ccc(OC[C@H](C)NCc2ccccc2O)cc1	825185901	SVTDUOXUPJWYRV-HNNXBMFYSA-N	315.413	3.138	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](CO)c2ccccc2)cc1Cl	825327512	YGSYXZHZMMZTBS-HNNXBMFYSA-N	305.805	3.220	10	20	DGCD	
COc1cc(Cl)cc(CNCCN2CCCC2(C)C)c1O	825332450	XHHCAWMFDXAKQE-UHFFFAOYSA-N	312.841	3.018	10	20	DGCD	
CN(C)c1ccc(CN(C)C2(CO)CCC2)c(C(F)(F)F)c1	827903412	HBWWPRQHDWTPKP-UHFFFAOYSA-N	316.367	3.118	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2ccccc2O1	839467786	JBJBGNWRLPFPJZ-IBGZPJMESA-N	324.424	3.105	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CCc2ccccc2O1)c1ccc(N(C)C)cc1	839727649	AEBIMXZXKMKHFQ-IFXJQAMLSA-N	324.424	3.324	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCC[C@@H]1C1CC1	840954196	ALNJCQMVGGCJSD-AZUAARDMSA-N	314.473	3.439	10	20	DGCD	
CCCN(CCN1CCCCCC1)C(=O)Nc1ccc(N)cc1	841299738	NIXAHYUAYFXRAU-UHFFFAOYSA-N	318.465	3.389	10	20	DGCD	
Nc1ccc(CCNC(=O)NC2CC(c3ccccc3)C2)cc1	841897147	VVULWKLLXLTLDE-UHFFFAOYSA-N	309.413	3.057	10	20	DGCD	
C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NCCc2ccc(N)cc2)C1	841915620	SDFCDFGBZSCGFY-OFQRWUPVSA-N	303.450	3.325	10	20	DGCD	
CC[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)O	843040853	ZPGOVYPTCGOYOL-SFHVURJKSA-N	324.424	3.202	10	20	DGCD	
CNCC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	843049958	WPMBLRKKRGFWJQ-UHFFFAOYSA-N	301.478	3.108	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]2[C@H]2CCCOC2)cc1F	843418218	ZGDBJQBKPXGKMV-RDJZCZTQSA-N	306.425	3.283	10	20	DGCD	
CN(CC[C@@H]1CCCNC1)Cc1ccc(N2CCCCC2)cc1	844220477	DWDRANFOJIHLDP-SFHVURJKSA-N	315.505	3.498	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cccc(OC)c2O)c(OC)c1	846142120	XRUDYXHURDWPLY-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
CCc1cccc(CNc2ccc(C(=O)OC)cc2OC)c1O	848906807	ZXPIWEHBPNPRQP-UHFFFAOYSA-N	315.369	3.362	10	20	DGCD	
CCCOc1ccc(CNCCCO[C@H]2CCOC2)cc1C	873074999	PLZYOMXYZYHCPD-KRWDZBQOSA-N	307.434	3.069	10	20	DGCD	
CC[C@H](NCc1cccc(OC)c1O)[C@H](O)c1ccccc1	873192395	ATCQPWVAUFYZSH-DOTOQJQBSA-N	301.386	3.003	10	20	DGCD	
CCCC1(CNCc2ccc(N3CCC(O)CC3)cc2)CC1	877095064	VMWXXGFGVAMXNP-UHFFFAOYSA-N	302.462	3.318	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](CCO)C(F)(F)F)c1O	886804166	SYISSZRDXYLSGF-GZMMTYOYSA-N	311.731	3.318	10	20	DGCD	
CCc1onc(C)c1/C=C1/SC(N2CCCCC2)=NC1=O	899341577	DEOKFFPIXYOWJB-UKTHLTGXSA-N	305.403	3.002	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](c2ccncc2)C2CC2)c1O	934690975	DZSMBQTUYZIIRK-KRWDZBQOSA-N	314.360	3.370	10	20	DGCD	
CN(Cc1ccccc1O)C(=S)Nc1cccc(F)c1F	1319547506	XBOZTAVYYSQBHI-UHFFFAOYSA-N	308.353	3.499	10	20	DGCD	
CN(C)[C@@H]1CCCC[C@@H]1NCc1c(O)ccc(Cl)c1F	1338928170	CCFZCXNOVOOZOM-QWHCGFSZSA-N	300.805	3.147	10	20	DGCD	
CN(c1nnc(-c2sccc2O)n1CC1CC1)C1CCC1	1345817641	YXJJEBCORLLOQU-UHFFFAOYSA-N	304.419	3.111	10	20	DGCD	
CCNc1ncc(C(=O)N(C)Cc2ccccc2O)cc1Cl	1346681627	SGTGHOXRNLVUHP-UHFFFAOYSA-N	319.792	3.145	10	20	DGCD	
COCCCCN(C)Cc1c(O)c(C(=O)O)cc2ccccc12	1599222125	ARRHZNMOGHDYHK-UHFFFAOYSA-N	317.385	3.102	10	20	DGCD	
CCN(CC)c1ccc(CNC2(C(=O)O)CCCC2)cc1F	1776861221	QVJZFAHAZMWOGO-UHFFFAOYSA-N	308.397	3.159	10	20	DGCD	
CC[C@H](NC[C@@H]1CCOC1)c1cc(Br)ccc1O	37738207	GNGSDYJBOOZQMV-GWCFXTLKSA-N	314.223	3.232	10	20	DGCD	
O=C(CSC(F)(F)F)NCc1ccc(N2CCCC2)cc1	73955026	RODLCCQQSKYWCV-UHFFFAOYSA-N	318.364	3.156	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C)ccc2F)c1	114566063	IPEBMSDRURPVOO-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CCc1c(C(=O)N(C)Cc2ccccc2O)cnn1CC(C)C	156822242	DDZXXPQNGQOGEH-UHFFFAOYSA-N	315.417	3.079	10	20	DGCD	
COc1cc(CN2CCOCC2(C)C)c(O)c(C(C)(C)C)c1	164213651	MAWQGVIEXZFERX-UHFFFAOYSA-N	307.434	3.309	10	20	DGCD	
CCS[C@@H]1CC[C@H](N(C)Cc2cc3c(cc2O)OCO3)C1	173484298	WTDHKUBPKPHWRN-QWHCGFSZSA-N	309.431	3.227	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CCc2ccoc2)cc1	177153700	XNQHCDRIPNTWSZ-UHFFFAOYSA-N	300.402	3.375	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCCCC1)c1ccc(N(C)C)cc1	178200569	KFXZHDBZZHSTRZ-GOSISDBHSA-N	317.477	3.196	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)C[C@H]2C)cc1	179547657	MMBPZBSXESNPTN-KDOFPFPSSA-N	316.445	3.154	10	20	DGCD	
C[C@@H](NCc1ccc(Cn2cccn2)cc1)c1ccccc1O	183396459	RPNHUDORTLBRQN-OAHLLOKOSA-N	307.397	3.488	10	20	DGCD	
Cc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)nc1	184201890	LSIGICQCEBPWHE-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
CCOC(=O)[C@]1(C(C)C)CCN(Cc2cccc(C)c2O)C1	195196836	TVVPOTKUPNCRPJ-GOSISDBHSA-N	305.418	3.112	10	20	DGCD	
Oc1c(Br)cccc1CNCC[C@@H]1CCCCO1	227336037	DCGRPERKKMJYLU-LBPRGKRZSA-N	314.223	3.204	10	20	DGCD	
OCCc1ccc(NCc2cc(Br)ccc2O)cc1	228128580	HGNVUHKBJAUWSZ-UHFFFAOYSA-N	322.202	3.302	10	20	DGCD	
CCCN1CCC(NCc2cc(Cl)cc(OC)c2O)CC1	228677140	YONQFIVQPUXYRQ-UHFFFAOYSA-N	312.841	3.018	10	20	DGCD	
Nc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1	238026480	TZXIBOOKUAIJQS-QGZVFWFLSA-N	312.369	3.079	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)c1	245835878	WAGXHPRILDPDDM-XUXIUFHCSA-N	318.417	3.197	10	20	DGCD	
CC[C@@H]1CC[C@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)O1	268233840	YQPRLTSTIUNAPQ-IAGOWNOFSA-N	304.434	3.059	10	20	DGCD	
C[C@@H](C(=O)O)[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1	277245763	JNYMAIGDQKYOEM-KDOFPFPSSA-N	312.413	3.304	10	20	DGCD	
CSCC[C@@H](C)N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	317413655	TZVGZSKSUGVWKG-JPVGGKMYSA-N	324.402	3.270	10	20	DGCD	
COc1cccc([C@@H](CN[C@@H](C)c2ccccc2O)OC)c1	527920594	NYSBLEYQLMETAZ-SCLBCKFNSA-N	301.386	3.439	10	20	DGCD	
COC[C@]1(C)CCN(Cc2ccc(Br)cc2O)C1	691732326	FRDBODPZBLYCAO-CQSZACIVSA-N	314.223	3.013	10	20	DGCD	
C[C@@H](CNCc1ccc(N2CCCC2)cc1)CC1(C)OCCO1	715908747	LXHYZJTYRDSXMJ-MRXNPFEDSA-N	318.461	3.166	10	20	DGCD	
C[C@H]1CCC[C@H](OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	732954389	ZGNFMOCXTHNICV-YJBOKZPZSA-N	318.461	3.306	10	20	DGCD	
CCO[C@H](C)c1noc(CN(C)Cc2cc(C)c(C)cc2O)n1	743370449	DLYYSCMCMQAZBJ-CYBMUJFWSA-N	319.405	3.122	10	20	DGCD	
C[S@@](=O)c1ccc(CNCc2c(O)cccc2Cl)cc1	751153655	TXHMVJHEXPIZJI-HXUWFJFHSA-N	309.818	3.073	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cccc(-c2ncco2)c1	754468825	RSXOKFJWVBFZBJ-UHFFFAOYSA-N	309.325	3.369	10	20	DGCD	
C[C@@H](NCCc1cn2ccccc2n1)c1cc(F)cc(F)c1O	756391950	IQADQFGNZWWSJE-LLVKDONJSA-N	317.339	3.211	10	20	DGCD	
C[C@H]1C[C@H](NC2CCC3(CC2)OCCO3)c2c(O)ccc(F)c21	756416485	HRKAMLTZRSXBIQ-FZMZJTMJSA-N	321.392	3.355	10	20	DGCD	
C[C@@H](NCCc1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1O	756422162	LIGFBDAPJNDLHP-SNVBAGLBSA-N	322.311	3.472	10	20	DGCD	
CO[C@H](C)CCN[C@H](C)c1cc(Br)cc(F)c1O	756526985	IPHCPXLLRDQBMP-RKDXNWHRSA-N	320.202	3.369	10	20	DGCD	
C[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1	765359776	YLHPMEQQQWLXMV-WBVHZDCISA-N	323.440	3.209	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2CC1=Cc2ccccc2OC1	765659003	SJMSCJUCUIHTGF-UHFFFAOYSA-N	322.408	3.427	10	20	DGCD	
C[C@H](NC[C@@](C)(O)C1CC1)c1ccc(N2CCCCC2)cc1	765931749	QONMMXRUQZOBFM-HNAYVOBHSA-N	302.462	3.489	10	20	DGCD	
CC(C)(C)OC(=O)C1CCC(NCc2ccccc2O)CC1	768595044	DOWMUESCVJUBPF-UHFFFAOYSA-N	305.418	3.382	10	20	DGCD	
C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O	775129962	JBAIGKQMKFLOMP-LBPRGKRZSA-N	302.330	3.030	10	20	DGCD	
COc1ccc(N2CCN(Cc3ccc(CF)cc3)CC2)cc1	777538269	IJZZSDWIFQHTSB-UHFFFAOYSA-N	314.404	3.487	10	20	DGCD	
CC[C@@H](N[C@H](C)c1nnnn1C1CC1)c1cc(Cl)ccc1O	790755320	MVBJCIOZTYNOHA-NOZJJQNGSA-N	321.812	3.169	10	20	DGCD	
OC[C@H](CC1CCC1)NCc1ccc(N2CCCCC2)cc1	793322561	NZDMZMQSUHDFTK-SFHVURJKSA-N	302.462	3.318	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C3)C2)cc1	796603007	XPFKLZDVWJYMRV-HOTGVXAUSA-N	301.434	3.084	10	20	DGCD	
Oc1ccccc1CN(CCc1ccccn1)Cc1cccnc1	797604749	BWYOAEHFWPIDCF-UHFFFAOYSA-N	319.408	3.427	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccsc2)c1	802161882	UBXQNSKWWWGDAL-JTQLQIEISA-N	306.387	3.023	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccncn2)c1C	808149008	DUNAPBSHLGBIJW-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCN(Cc2ccco2)CC1	816483326	OFSVNHXTLLVHJK-UHFFFAOYSA-N	324.783	3.096	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNc1ccc(C2(O)COC2)cc1	816612561	SBYFOYLZWOLESJ-UHFFFAOYSA-N	323.751	3.015	10	20	DGCD	
CC1(C)CCc2sc(NC(=O)c3c(F)ccc(O)c3O)nc21	817766114	JQBFHWNUABBNHO-UHFFFAOYSA-N	322.361	3.170	10	20	DGCD	
Cc1cc(CNC2(CO)CCCC2)ccc1N1CCCCC1	828392049	JADIBLSQCWIMAE-UHFFFAOYSA-N	302.462	3.380	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nn1C(C)C	828860764	GXSDEGDVFHNRDU-CQSZACIVSA-N	314.433	3.329	10	20	DGCD	
Cc1csc2ncnc(N[C@@H](C)Cc3ccc(O)c(O)c3)c12	840283938	CNEDBTYBWWFHCT-JTQLQIEISA-N	315.398	3.454	10	20	DGCD	
CCC(CC)(CC)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	843296638	BWQQRDCOUGOWID-MRXNPFEDSA-N	305.466	3.085	10	20	DGCD	
CCn1nc(C)c(CN[C@H](C)c2cccc(OC)c2O)c1C	846142859	BLPPRFDXWUFRPT-LLVKDONJSA-N	303.406	3.085	10	20	DGCD	
CCc1cccc(CN2CCCC[C@H]2c2nc(C)no2)c1O	848911826	ZSDPGNJORTYQCM-HNNXBMFYSA-N	301.390	3.373	10	20	DGCD	
C[C@H](N[C@@H]1COc2cc(F)ccc2C1)c1cc(F)cc(F)c1O	850538096	VQNYVEBQBHKXGI-ZANVPECISA-N	323.314	3.464	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CCC1	850568275	UKDVRWIBMIDXJC-IBGZPJMESA-N	302.462	3.316	10	20	DGCD	
CC(C)(F)CCNC(=O)NCc1ccc(N2CC=CC2)cc1	852138419	NNPFFNOULUEVMV-UHFFFAOYSA-N	305.397	3.000	10	20	DGCD	
C[C@@H](COc1ccccc1)NC(=O)N[C@H](C)c1ccccc1O	875125520	PJRYFJDQAHSUIB-UONOGXRCSA-N	314.385	3.220	10	20	DGCD	
Cc1cccc(O)c1CN[C@@H](C)c1ccc([S@@](C)=O)cc1	877122417	SUZVBWDGHSADEF-YEJXKQKISA-N	303.427	3.289	10	20	DGCD	
Cc1cccc(O)c1CN[C@@H](C)CCNC(=O)OC(C)(C)C	877506387	VYPATDMOILAAFT-ZDUSSCGKSA-N	308.422	3.094	10	20	DGCD	
COCCCOc1ccc(CNCc2c(C)cccc2O)cc1	877515152	VZDCMLNMIMDZFC-UHFFFAOYSA-N	315.413	3.406	10	20	DGCD	
Cc1ccc(CN2CCC(OCCOC(C)C)CC2)c(O)c1	877574972	AXTVNMXNPZPIJU-UHFFFAOYSA-N	307.434	3.107	10	20	DGCD	
CCCOc1ccc(CNCc2cc(F)cc(F)c2O)cn1	882989457	RCGAWTYOGXUXOX-UHFFFAOYSA-N	308.328	3.144	10	20	DGCD	
COCCN(Cc1ccc(C)o1)Cc1cc(C)cc(OC)c1O	894067614	MDGZKOMDEZQWEN-UHFFFAOYSA-N	319.401	3.259	10	20	DGCD	
COc1cc(C)cc(CNCc2nc3c(s2)CCCC3)c1O	896823875	XMYXJXBUNMGMCU-UHFFFAOYSA-N	318.442	3.334	10	20	DGCD	
O=C(O)C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccsc1	900021935	FWAXZVZHSARSHN-OAHLLOKOSA-N	317.410	3.379	10	20	DGCD	
CC(C)[C@H](N[C@@H](C)c1cc(Cl)ccc1O)c1nncn1C	903064066	KIXROOCIXSEZSF-HZMBPMFUSA-N	308.813	3.222	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCN(CC2CC2)CC1	916838493	RJLZIYCOXDWCHG-UHFFFAOYSA-N	313.489	3.205	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](c2cnn(C)c2)C(C)C)c1	927072686	YRHUTQRBJMLWNV-SJKOYZFVSA-N	303.406	3.182	10	20	DGCD	
COC(=O)c1cnc(SCc2cnn(C(C)(C)C)c2)s1	1346827059	CQCUPTRTQMGZIV-UHFFFAOYSA-N	311.432	3.174	10	20	DGCD	
CC(C)(NC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1	1575379674	AFZDHQNGWTVKAX-UHFFFAOYSA-N	301.365	3.142	10	20	DGCD	
COc1cccc(-c2cc(C(=O)N(C)c3ccc(N)cc3)on2)c1	1579257363	CRTWFOPTNZDFTI-UHFFFAOYSA-N	323.352	3.209	10	20	DGCD	
Nc1ccc(CCNC(=O)Nc2ccc3ccccc3n2)cc1	1580443528	NSVZKZOXVHLSKT-UHFFFAOYSA-N	306.369	3.181	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1O	1590461319	AWAUSKYHOHZLOS-LRDDRELGSA-N	323.400	3.374	10	20	DGCD	
CC[C@@H](C)[C@@H](NCc1ccc2c(c1)CCCN2CC)C(=O)O	1776690150	FIQXVHQRTQIMQQ-CXAGYDPISA-N	304.434	3.048	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccn1	69718399	UUKMYOXHYDOVGX-AWEZNQCLSA-N	324.428	3.024	10	20	DGCD	
Cc1cc(/C=C/C(=O)N2CCC(O)CC2)c(C)n1-c1ccccc1	73493924	RQFNMDMSSVVCQC-CMDGGOBGSA-N	324.424	3.091	10	20	DGCD	
Cc1cccc(CNCc2ccc(N3CCN(C)CC3)cc2)c1	107797473	SANIMPGKEJYTKH-UHFFFAOYSA-N	309.457	3.037	10	20	DGCD	
C[C@H](CC1CCCCC1)C(=O)NCCc1ccc(O)c(O)c1	122181534	GZKBEQXGDIEUJW-CYBMUJFWSA-N	305.418	3.363	10	20	DGCD	
CCc1ncsc1C(=O)NCc1ccc2c(c1)CCCN2C	138461826	WHEWMZGPJOTLJY-UHFFFAOYSA-N	315.442	3.018	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc(NCC)s1	177137033	BQVKXUAMVMTAJZ-UHFFFAOYSA-N	319.430	3.333	10	20	DGCD	
CN(Cc1ccccc1)[C@H](CNCc1ccccc1O)C1CC1	185222700	IHJJEPVIGNQVSF-LJQANCHMSA-N	310.441	3.392	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCCN(C(C)C)C2)c1	185358133	VRNFCQFVBSHSEP-GJZGRUSLSA-N	306.450	3.172	10	20	DGCD	
CCCOc1ccc(CNc2nnc(C(C)(C)C)o2)c(O)c1	185887590	KEDVLGURRGKOBR-UHFFFAOYSA-N	305.378	3.474	10	20	DGCD	
Cn1cc([C@H](NCc2ccccc2O)c2ccc(F)cc2)cn1	187516945	ZEQASQFNYHZOPU-GOSISDBHSA-N	311.360	3.144	10	20	DGCD	
C[C@@H](NCC1CCN(CC(F)(F)F)CC1)c1ccccc1O	188519559	WBJHJSFVNCFZOT-GFCCVEGCSA-N	316.367	3.317	10	20	DGCD	
CCc1c(C(=O)Nc2ccc(N)cc2)cnn1Cc1ccccc1	237113931	NAHYVJMUNOLAPY-UHFFFAOYSA-N	320.396	3.328	10	20	DGCD	
COc1ccc(O)c(CNCc2ccc(OC(F)F)cc2)c1	237205186	YKUCKJUFFUKXAS-UHFFFAOYSA-N	309.312	3.292	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1	237911752	BKWGLNAAOCQHEQ-IEBWSBKVSA-N	308.425	3.339	10	20	DGCD	
CC[C@H](NCc1ccccc1O)[C@H](O)c1c(F)cccc1F	266341619	YLKVZFIGERBHIO-YOEHRIQHSA-N	307.340	3.272	10	20	DGCD	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1ccc(N2CCCCC2)cc1	271195529	NIRJHIIQGXVDPY-MCFFVMPBSA-N	320.502	3.018	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)ncn2C	271799154	KZBVURYVRCOIPE-UHFFFAOYSA-N	308.429	3.271	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCCC[C@H](C)O)c1O	279222869	ZCPPEZBLFFJMQR-QWRGUYRKSA-N	316.239	3.275	10	20	DGCD	
CC[C@H](N[C@@H](C)CO[C@H]1CCOC1)c1cccc(Cl)c1O	287577865	HDPDGSGDIAVFOY-HUBLWGQQSA-N	313.825	3.280	10	20	DGCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1cccnc1	293896896	QXLMFXMHIZELGZ-JHTBKMLMSA-N	324.380	3.116	10	20	DGCD	
CCc1cccnc1C(=O)NCc1c(C)c2ccccc2n1C	471217826	DNAWGXJFCSNFHR-UHFFFAOYSA-N	307.397	3.374	10	20	DGCD	
CCOc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)c(O)c1	729682311	NEWSRRUSQOPRIL-UHFFFAOYSA-N	316.357	3.031	10	20	DGCD	
Cc1ccccc1-c1noc(CN(C)Cc2ccccc2O)n1	731843459	IKQIWIKNUWUGJI-UHFFFAOYSA-N	309.369	3.383	10	20	DGCD	
CCOc1cccc(CN[C@H](COC)Cc2ccccc2)c1O	747100909	XZVHDKYOOQTTCG-KRWDZBQOSA-N	315.413	3.138	10	20	DGCD	
CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccccc2O)cc1	751150500	GPNTWYQQKVVUEC-CYBMUJFWSA-N	319.426	3.384	10	20	DGCD	
COC(=O)Nc1ccc(NC(=O)c2cc(O)cs2)cc1F	753467668	NPJPCVPBGSAZNB-UHFFFAOYSA-N	310.306	3.023	10	20	DGCD	
COC(=O)c1ccc(NCCCSc2nccs2)nc1C	754675545	ORGLHQWPXXKCII-UHFFFAOYSA-N	323.443	3.227	10	20	DGCD	
O=C(O)[C@@H](NCc1c(O)ccc(Cl)c1F)c1ccccc1	756346373	DIJCMAMXAXQEFC-AWEZNQCLSA-N	309.724	3.100	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2CCCc3c2cnn3C)c2c(O)ccc(F)c21	756403757	QYQKQIFGOPJZOY-LERXQTSPSA-N	315.392	3.480	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2CCN3CCCC[C@@H]23)c2c(O)ccc(F)c21	756431624	OHSBVKYHPKXZSW-RZFFKMDDSA-N	304.409	3.296	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)C1CCOCC1	756628513	NKSOGWOSFKRRDD-LRDDRELGSA-N	321.417	3.035	10	20	DGCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)CN(C2CCCC2)C1=O	761581142	WLNOCIOBNXEPFF-CYBMUJFWSA-N	315.417	3.020	10	20	DGCD	
CCC[C@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C	762442564	RQISBFXDAVOOMT-ZDUSSCGKSA-N	306.431	3.046	10	20	DGCD	
C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccc(N(C)C)cc1	765619748	MQDYOXMZIYJBRQ-GFCCVEGCSA-N	315.373	3.217	10	20	DGCD	
Oc1ccc2c(c1)CC[C@@H](NCc1cc(Cl)ccc1O)C2	767727150	IAHFQDKASWDKJI-OAHLLOKOSA-N	303.789	3.398	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](CO)CC1CC1	770999803	INVCJVMWQHFVFQ-AWEZNQCLSA-N	318.442	3.046	10	20	DGCD	
CCNC(=O)c1ccc(NCc2ccc(OCC)cc2O)cc1	775181297	RRIJMTFFQFYABV-UHFFFAOYSA-N	314.385	3.153	10	20	DGCD	
CCN(CC)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775648095	QPXCCTFCVRRMQJ-CYBMUJFWSA-N	300.805	3.101	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cccc3cc[nH]c23)c1	776068547	RIQRSSUSZPVPMN-UHFFFAOYSA-N	311.341	3.204	10	20	DGCD	
Cc1ccc2ncccc2c1S(=O)(=O)Nc1ccc(O)cc1	776744877	QAUHSFOETVREHA-UHFFFAOYSA-N	314.366	3.050	10	20	DGCD	
CC(C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccn1	779522158	XBMPFJHSCKMXOX-PDFOZTTASA-N	312.369	3.020	10	20	DGCD	
CN(C)c1ccc(CNC2(C(=O)OC(C)(C)C)CCCC2)cc1	785754605	DOXUBLIHGQJWQM-UHFFFAOYSA-N	318.461	3.497	10	20	DGCD	
COc1nc(C)cc(C)c1CNCc1c(O)ccc(Cl)c1F	790955101	JNIGCEWILZHUCW-UHFFFAOYSA-N	324.783	3.495	10	20	DGCD	
C[C@H]1CCCN(c2ccc(CN[C@H]3CCOC3)cc2Cl)C1	800275425	CCKADQOTONICIZ-ZFWWWQNUSA-N	308.853	3.455	10	20	DGCD	
CC[C@@H](C)n1c(SCC(=O)C(C)=O)nnc1-c1ccccc1	808021138	BCJIDRZNLJXMMH-LLVKDONJSA-N	317.414	3.166	10	20	DGCD	
CCOc1ccc(CN2CCOc3ccc(C)cc3C2)c(O)c1	809703042	CLGOODBOLKYLEN-UHFFFAOYSA-N	313.397	3.494	10	20	DGCD	
CN(C)CCN(Cc1ccccc1O)Cc1ccccc1F	809732715	OZMCYAXRSXUNQO-UHFFFAOYSA-N	302.393	3.095	10	20	DGCD	
CC(C)[C@@H]1N(Cc2ccc(N3CCOCC3)cc2)CC1(C)C	816624617	AXIZAYILAOOKJO-SFHVURJKSA-N	302.462	3.390	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1C[C@]2(CCCO2)[C@H]1C1CC1	816666672	SVHXDJUDXTVCLE-HZPDHXFCSA-N	311.784	3.328	10	20	DGCD	
C[C@H](N[C@@H]1CCCNC1)c1ccc(N2CCCCCC2)cc1	817940074	DDSGCTXGUGVHHZ-FUHWJXTLSA-N	301.478	3.470	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@H](CN)C1)c1cc(Cl)c(Cl)cc1O	817980651	CTVBCHSPQPVSIL-LPEHRKFASA-N	303.233	3.477	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@@H]2CNC[C@H]2C1)c1cccc(Cl)c1O	817987344	SUUWCANCBHPJEL-JXFSHQFZSA-N	308.853	3.474	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](CC(C)C)CN2CCCC2)c1	824558954	AIAYPVAAGIKHCV-INIZCTEOSA-N	306.450	3.001	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1c(O)cccc1Cl	827750164	AILGYSJMHCWSNC-ZBFHGGJFSA-N	311.809	3.257	10	20	DGCD	
C[C@@H](NC[C@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1O	834910992	QXSOQHBJARFADG-NEPJUHHUSA-N	308.378	3.156	10	20	DGCD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	838767099	WIJBOUGZTHBDQO-WMZOPIPTSA-N	303.450	3.329	10	20	DGCD	
CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(N)cc1	841294437	CEBKCNYPVCYXSH-OAHLLOKOSA-N	313.405	3.244	10	20	DGCD	
CCOCc1cc(CN[C@H](CC(=O)O)C(C)(C)C)ccc1OC	841799065	NJSGZMIZXDEEJT-MRXNPFEDSA-N	323.433	3.211	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CC2CC2)C(=O)O)cc1F	841807490	BYTVDZRMOBDDGD-HNNXBMFYSA-N	308.397	3.015	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1O	842884389	JAKKVTPLHHYNAP-LSDHHAIUSA-N	304.434	3.141	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)cc1	842886654	TVZINZWPAYUUST-PBHICJAKSA-N	317.477	3.193	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]([C@H]3CCCNC3)C2)cc1F	843127457	REZKLNYHIVVWPN-DLBZAZTESA-N	319.468	3.103	10	20	DGCD	
CCOc1ccc(CNC[C@H](CC(=O)O)CC(C)C)c(O)c1	854244082	OXSKCKLZXHJQHT-ZDUSSCGKSA-N	309.406	3.018	10	20	DGCD	
COC(C)(C)C[C@H](C)NCc1cc(F)c(N(C)C)cc1F	858146644	JUBVOSSUOKNHGK-NSHDSACASA-N	300.393	3.324	10	20	DGCD	
Cc1nnc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)s1	858156205	DQOKTBIBLTYTBD-QMMMGPOBSA-N	312.389	3.042	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2Cc3ccccc3NC2=O)cc1	858280717	BEESWWFSPARIPS-IBGZPJMESA-N	323.440	3.186	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2Cc3ccccc3NC2=O)cc1	858527486	HRNYCEWFGBQXBK-AUUYWEPGSA-N	323.440	3.357	10	20	DGCD	
Cc1cc(O)c(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1C	862540361	CZTFMPLYNCUFDB-AWEZNQCLSA-N	322.449	3.354	10	20	DGCD	
COc1ccc(CCC(=O)NCc2cc(C)ccc2O)cc1F	862759505	GTYRGHLHCNXJOA-UHFFFAOYSA-N	317.360	3.097	10	20	DGCD	
CC(C)[C@H](N[C@@H](C)c1ccc(F)cc1O)[C@H](O)C(F)(F)F	866464850	ZBVFMLBUIAJSAX-HJIKLVIJSA-N	309.303	3.130	10	20	DGCD	
COC(C)(C)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C	871253028	HWQYDBVDIBCFPZ-UHFFFAOYSA-N	315.417	3.034	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@H]3CCC(F)(F)C3)cc2)CC1	877494912	PZTZIZUQHAZKAP-HNNXBMFYSA-N	324.415	3.173	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C2CC2)o1	878009216	WJWCDYSQEDUZAW-UHFFFAOYSA-N	313.401	3.280	10	20	DGCD	
CC(C)[C@@H](NCc1cc(F)cc(F)c1O)c1nc(C2CC2)no1	882997570	VIVQSJUJVUWWJP-CYBMUJFWSA-N	323.343	3.418	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1O	894057376	CAFBNAJAGPNTPV-CQSZACIVSA-N	321.417	3.015	10	20	DGCD	
CCOc1ccc(NCc2cc(C)cc(OC)c2O)cc1CO	894121328	XQHRYVNSTHIKBA-UHFFFAOYSA-N	317.385	3.212	10	20	DGCD	
COc1ccc(CNCc2cc(C)cc(OC)c2O)cc1F	894163249	OSOJXLPRTBUKBE-UHFFFAOYSA-N	305.349	3.147	10	20	DGCD	
COc1cc(O)c(CN[C@@H](c2ccncc2)C2CC2)cc1OC	898322821	RYKNFGQELRGUCP-GOSISDBHSA-N	314.385	3.045	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2C=CC[C@H](C(=O)O)C2)cc1F	904035914	UJOGMKOCQVFJOT-GJZGRUSLSA-N	320.408	3.181	10	20	DGCD	
C[C@@H](NC(=O)N(O)Cc1ccccc1)c1ccc(N(C)C)cc1	904182387	BZSDYXBOXQMYOE-CQSZACIVSA-N	313.401	3.415	10	20	DGCD	
CCOc1ccc(CN[C@@H](C(=O)O)c2cccc(C)c2)c(O)c1	904263237	VCTBNVMWKHJKPD-QGZVFWFLSA-N	315.369	3.015	10	20	DGCD	
CCCCO[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	920878836	MBWJDTXUTOYEDZ-OAHLLOKOSA-N	318.461	3.449	10	20	DGCD	
CCC(=O)N(C)C1CCC(NCc2ccc(OC)c(C)c2)CC1	962947367	TUMCXCSBMMVKOY-UHFFFAOYSA-N	318.461	3.273	10	20	DGCD	
C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1C	1116443246	LLDGTPZXTDPDEI-HZPDHXFCSA-N	319.468	3.198	10	20	DGCD	
CC[C@H](NCCC(=O)N1CCC[C@H](C)C1)c1ccccc1O	1116674229	WDYFKAUSHVDCAP-HOCLYGCPSA-N	304.434	3.082	10	20	DGCD	
O=C1NCc2c(NCc3ccc(N4CCCC4)cc3)cccc21	1117627887	BCEPAGDNBIYAJU-UHFFFAOYSA-N	307.397	3.142	10	20	DGCD	
Nc1ccc(CN2CCC(CCCN3CCCC3)CC2)cc1	1262488123	RDNYKTONEBGJBE-UHFFFAOYSA-N	301.478	3.357	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cc(F)cc(F)c1	1321388288	ILUFFRNSBMNRRB-UHFFFAOYSA-N	309.659	3.407	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1O	1327704494	ZZILYNYAMVNRFZ-WBVHZDCISA-N	319.445	3.490	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@H]2Cc2ccccc2)c(O)c1OC	1336735878	PKZFAMQGIQARFP-CVEARBPZSA-N	313.397	3.130	10	20	DGCD	
CO[C@@H]1CCC[C@@H]1CNCc1c(O)cccc1Br	1351329756	HYIVTWYRPYSCET-QMTHXVAHSA-N	314.223	3.059	10	20	DGCD	
CC(C)(C)OC1CC(CCNC(=O)NCc2ccc(N)cc2)C1	1357375229	PQWTZVGUCZADCU-UHFFFAOYSA-N	319.449	3.052	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc([C@@H]2CCOC2)cc1	1608039328	UNENJEYGJPCOKI-CYBMUJFWSA-N	302.326	3.369	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2C(=O)O)c(OC)c1	1610338319	GFBPUPTUVZFTAQ-UHFFFAOYSA-N	301.342	3.038	10	20	DGCD	
CC(C)CC[C@](C)(NCc1cc(F)cc(F)c1O)C(=O)O	1776334646	RSSBPYMXTDIJKS-HNNXBMFYSA-N	301.333	3.040	10	20	DGCD	
CCN1CCc2cc(CNC[C@H](C(=O)O)c3ccccc3)ccc21	1776877453	KEDQUGZETVPFLD-SFHVURJKSA-N	324.424	3.027	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(Cl)c(Cl)[nH]2)cc1	23694857	MGWQHKZTUHDDIO-UHFFFAOYSA-N	312.200	3.318	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCCCOC	57649500	WJQMHBHPSSCGPT-UHFFFAOYSA-N	321.465	3.101	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1cccnc1	66697861	YKCLMISXNQCMAN-AWEZNQCLSA-N	313.401	3.470	10	20	DGCD	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1	108648292	UJDODNXMUOLILZ-CYBMUJFWSA-N	306.406	3.109	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	155585589	WRRHTINZKVBPJV-LMMKCTJWSA-N	322.408	3.120	10	20	DGCD	
CC[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1ccccc1O	156961417	BQBFSUMMKRRSSK-FUHWJXTLSA-N	303.377	3.480	10	20	DGCD	
C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C[C@@H]1C	163409713	DQSUJOTXLUUEPD-NEPJUHHUSA-N	313.492	3.313	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2csc(C3CC3)n2)c1	170900541	CQBYELLPIBEIQY-VIFPVBQESA-N	318.398	3.226	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC23CCCCC3)c1	180565115	AXIJARABQDEPPR-BLLLJJGKSA-N	318.417	3.484	10	20	DGCD	
C[C@@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1O	186136277	WUJKBQBVWXWIRB-AXAPSJFSSA-N	311.422	3.237	10	20	DGCD	
CCC(=O)Nc1ccc(C)c(NC(=O)Cc2ccc(N)cc2)c1	236807555	QIHUSUCHJXGIDT-UHFFFAOYSA-N	311.385	3.107	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(F)cc1O	248488792	HAHLJPCXWLSRIU-DCGLDWPTSA-N	303.377	3.174	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1nc(C(C)(C)C)ns1	265273528	KYVKCBSGUWMRKA-UHFFFAOYSA-N	320.418	3.205	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(N(C)C)cc1	268949430	VFIMCZSFNPLOGK-USXIJHARSA-N	317.477	3.050	10	20	DGCD	
C[C@H](NCc1ccccc1N(C)C)c1cc([N+](=O)[O-])ccc1O	273469396	JIVPSPRVZCRBKP-LBPRGKRZSA-N	315.373	3.217	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccn3)C2)c(O)c1C	273490565	OEOKPXCUMVNUBG-HZPDHXFCSA-N	311.429	3.334	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(C)(C)CC(C)=O	276432681	FZFIERXFFCXGDA-UHFFFAOYSA-N	318.461	3.497	10	20	DGCD	
CC[C@@H](N[C@@H](C)CN1CCCC1=O)c1cccc(Cl)c1O	287847337	WOVZGFHVUPUFOE-SMDDNHRTSA-N	310.825	3.097	10	20	DGCD	
FC(F)(F)c1ccnc(CCNCc2ccc3c(c2)CCO3)c1	292894982	GEDOCKUQKLZXIO-UHFFFAOYSA-N	322.330	3.368	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@](CO)(C(C)C)C2)c1	294147412	VFFPZHXLXJMTDE-SFHVURJKSA-N	307.434	3.021	10	20	DGCD	
Cc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1O	302951505	DKBXZPOCCREJKR-UHFFFAOYSA-N	310.397	3.013	10	20	DGCD	
CCC1(NCc2ccc(Br)cc2O)CCOCC1	691391742	LNDJDWIGLGIVHV-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
O=C(O)[C@@]12C[C@@H](NCc3cc(Cl)cc(Cl)c3O)C[C@@H]1C2	712957420	KKSRKURNKYKCTQ-YACGNSKGSA-N	316.184	3.042	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)cc(F)c2)c1	728981151	UILCNKPEUYMZJN-SECBINFHSA-N	307.296	3.170	10	20	DGCD	
CCN(C[C@@H](O)COc1ccc(F)cc1)c1ccc(OC)cc1	746108752	ANQRWTILXYILTG-MRXNPFEDSA-N	319.376	3.101	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)sn1	749242226	ZEOJVCHXDTVBTG-UHFFFAOYSA-N	314.414	3.149	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@H](Oc2ccccc2Cl)C1	752645008	JTTVQCKWPGVBJQ-NSHDSACASA-N	323.801	3.401	10	20	DGCD	
Cc1ccc([C@@H](O)CN[C@H](C)c2cc(F)cc(F)c2O)cc1	756461537	UIBILNSCGGZCJT-BZNIZROVSA-N	307.340	3.363	10	20	DGCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1ccc[nH]1	760840895	JFDJAEXYDPOXFI-JTQLQIEISA-N	310.448	3.014	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H](N3CCCCC3)C1)CCCC2	768452717	RLVJCYNPMOVTLM-LJQANCHMSA-N	314.473	3.331	10	20	DGCD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccccc1O	769362825	KNBMYMKUYVNVDZ-HFTRVMKXSA-N	319.445	3.486	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCC(C)(C)CO)c2C)c1	771679113	TUEDWBNNEWKDJJ-UHFFFAOYSA-N	314.429	3.151	10	20	DGCD	
Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1	773017577	FNAXRRBUZUSUIH-JTQLQIEISA-N	303.431	3.317	10	20	DGCD	
CCC[C@]1(C(=O)OCC)CCCN1Cc1cc(OC)ccc1O	775183254	IZSPHUFGSPGRBT-GOSISDBHSA-N	321.417	3.099	10	20	DGCD	
CCCc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)co1	775412365	XEWUDYUKSYGULV-LBPRGKRZSA-N	301.390	3.184	10	20	DGCD	
CC[C@@H](NCc1ncn(-c2ccccc2)n1)c1ccccc1O	775414278	HJBOHSCJHKMZNW-MRXNPFEDSA-N	308.385	3.214	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(Cl)cc(Cl)n2)cc1	777790884	JPOIJIKXKDTNDG-UHFFFAOYSA-N	324.211	3.384	10	20	DGCD	
CCn1cccc(CN[C@@H](C)c2c(C)cc(C)cc2O)c1=O	788795594	MLFFDMGOTGFNME-AWEZNQCLSA-N	300.402	3.041	10	20	DGCD	
CN1CCC2(CCCN2Cc2cc(Cl)cc(F)c2O)CC1	789559848	YMAHEPWESQVZEE-UHFFFAOYSA-N	312.816	3.245	10	20	DGCD	
C[C@@H](O)CCCNCc1ccc2c(c1)CCN2Cc1ccccc1	796359607	MNDQIDOWMNKURN-QGZVFWFLSA-N	324.468	3.500	10	20	DGCD	
C[C@H](NCC1(C)CCNCC1)c1cccc(C(F)(F)F)c1O	817964618	FYUBIJKFICDHHT-NSHDSACASA-N	316.367	3.451	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Cc2cscn2)cc1	819974163	IVLTZZIVMIVBNR-UHFFFAOYSA-N	317.458	3.190	10	20	DGCD	
OC1CCN(c2ccc(CNC3CC4(CCC4)C3)cc2)CC1	827661786	GEYZFWDLUKVYIF-UHFFFAOYSA-N	300.446	3.070	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@H]2CCCOC2)c1O	828893377	JVQRJPQCOSMDOO-GUYCJALGSA-N	321.392	3.125	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCN(CC2CC2)c2ccccc21	829422514	GLKBWSBUVZGEBK-UHFFFAOYSA-N	314.410	3.331	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1	831959923	BZZWVNIDSXJYCJ-QAPCUYQASA-N	312.388	3.403	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cnn(Cc2ccncc2)c1	840937792	XYROFCPDZTZYSY-UHFFFAOYSA-N	321.428	3.313	10	20	DGCD	
CCC(CC)(CN[C@H](C)c1cccc(OC)c1O)C(=O)OC	846165597	PHVXTOXTPZBECG-GFCCVEGCSA-N	309.406	3.031	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C)[C@H]2CCN)c1O	846226378	LSUNYZQWXQGEQJ-MEDUHNTESA-N	324.852	3.198	10	20	DGCD	
C[C@H](CN[C@H](C)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C	848562369	IOEMZUOUMAHQKQ-ZIAGYGMSSA-N	306.450	3.381	10	20	DGCD	
CCOc1cccc(CN[C@H]2CCN(C3CCCCC3)C2)c1O	850381891	LBTSPZBRDBZPHC-INIZCTEOSA-N	318.461	3.288	10	20	DGCD	
CNC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	852920535	CQRIJLUFEYGKFL-NSHDSACASA-N	319.836	3.085	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc(C(F)(F)F)n1	857467233	WOQGMNFVEMBALE-UHFFFAOYSA-N	310.275	3.078	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2cn3ccsc3n2)cc1F	858110188	LWGPTJBHMJAENA-UHFFFAOYSA-N	322.384	3.030	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2CCCCO2)c(C)n1-c1ccccc1	863165693	LCGYTAHERSTJBE-SFHVURJKSA-N	312.413	3.279	10	20	DGCD	
COc1nccc2c(NCc3cc4c(cc3O)OCO4)cccc12	864014372	OKOQTLHHMQXMGZ-UHFFFAOYSA-N	324.336	3.290	10	20	DGCD	
Cc1cc(C(=O)N2CCC(C)(F)CC2)c(C)n1-c1ccccn1	871075032	WNWOJHXTWKCADN-UHFFFAOYSA-N	315.392	3.453	10	20	DGCD	
COC(=O)c1oc([C@@H](C)N[C@H](C)c2ccccc2O)cc1C	879649153	JRJRIKJVAKZZKV-VXGBXAGGSA-N	303.358	3.492	10	20	DGCD	
CCOCc1cc(CNCC[C@H]2CCCNCC2)ccc1OC	1578124554	GZZBSNHYPREYCC-INIZCTEOSA-N	320.477	3.101	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC23CCNCC3)cc1	1579674000	KBOXFHSXODZNHX-UHFFFAOYSA-N	323.440	3.062	10	20	DGCD	
Cc1ccc(O)c(CN(C)[C@H](C)c2cccc(-c3nn[nH]n3)c2)c1	1605875563	JIWKHEPMXGGZRI-CYBMUJFWSA-N	323.400	3.074	10	20	DGCD	
Cc1sc(C(=O)O)cc1CN1CCCc2cc(CN)ccc21	1608060762	HIXHGBIGNQOTPW-UHFFFAOYSA-N	316.426	3.166	10	20	DGCD	
CCCOc1cccc(CNCc2ccc(C(=O)O)cc2O)c1	1776824332	RNTZREHSQIHEJJ-UHFFFAOYSA-N	315.369	3.169	10	20	DGCD	
CCC[C@@H](CC(=O)O)NCc1ccc2c(c1)CCCN2CC	1776827866	JHJIFWJJTRZRKJ-INIZCTEOSA-N	304.434	3.192	10	20	DGCD	
C[C@H](NC(=O)C[C@@H](C)C1CC1)c1ccc(N2CCOCC2)cc1	68513643	QICPPHGUFZENJQ-CABCVRRESA-N	316.445	3.137	10	20	DGCD	
CS[C@@H]1CCCCN(Cc2ccc(N3CCOCC3)cc2)C1	92064101	GOUPQXYMPCHYOM-GOSISDBHSA-N	320.502	3.241	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC1CCSCC1	126919978	UTSTULRRNWBLQJ-UHFFFAOYSA-N	306.475	3.244	10	20	DGCD	
CN(Cc1cc(Br)ccc1O)[C@H]1CCSC1	130478924	OQXYYUBRWNSPTH-NSHDSACASA-N	302.237	3.092	10	20	DGCD	
Cc1ccoc1CN(Cc1ccccc1O)C[C@@H]1CCCO1	160195804	RFCAHVGIXOOETA-INIZCTEOSA-N	301.386	3.475	10	20	DGCD	
CC[C@@H](NC1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1	161771503	CCAGNMLCGXPNHB-GOSISDBHSA-N	318.461	3.479	10	20	DGCD	
CC[C@H]1C[C@@H](C(=O)NCc2ccc(N(CC)CC)cc2)CCO1	183211189	PTELHEHZJFVNOO-WMZOPIPTSA-N	318.461	3.354	10	20	DGCD	
C[C@@H](NC[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1O	183432606	DDXLYPKNEYERAD-CXAGYDPISA-N	302.393	3.485	10	20	DGCD	
CC(C)[C@H](O)C(C)(C)CN[C@H](C)c1ccc(F)c(F)c1O	187805587	RYFVRBFAIPIMIO-BMIGLBTASA-N	301.377	3.364	10	20	DGCD	
CC[C@@H](CN[C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	227714352	UASVTRCFLORHNC-STQMWFEESA-N	308.422	3.346	10	20	DGCD	
C[C@H]1CCc2sc(C(=O)NCCc3ccc(N)cc3)cc2C1	237717523	WUXYXFBNSJTGRW-LBPRGKRZSA-N	314.454	3.428	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](C)C3)ccc21	264223161	WJBQYETVDVBSIN-CYBMUJFWSA-N	314.429	3.387	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2nccn2C)c1C	264325862	RNPXEXVUBOVJGM-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
CCOCc1cc(CN[C@@H]2CCOC3(CCC3)C2)ccc1OC	268988077	UPIGKOZYEZHIQO-QGZVFWFLSA-N	319.445	3.423	10	20	DGCD	
CC(C)[C@H](CCO)N[C@H](C)c1cc(Br)ccc1O	273606647	UFXLIVDFNKWJNJ-MFKMUULPSA-N	316.239	3.212	10	20	DGCD	
COc1cccc([C@H](O)CN[C@@H](C)c2ccc(C)c(C)c2O)c1	273617220	XRINLYZMHAMTPS-KBXCAEBGSA-N	315.413	3.402	10	20	DGCD	
CCC[C@](C)(NCc1ccc(OC)c(COCC)c1)C(=O)OC	273914551	YIASKIVEOOXOPX-SFHVURJKSA-N	323.433	3.053	10	20	DGCD	
CC(C)(COCc1ccccc1)C(=O)NCc1ccccc1O	282599223	WHSHQENEUVGJGI-UHFFFAOYSA-N	313.397	3.251	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	283733475	XXUUQTHPVZCWOM-INMHGKMJSA-N	318.417	3.024	10	20	DGCD	
CN(C)c1ccc(CNc2ccc(OCCCO)cc2)cc1F	285391895	DGYPENJQHNIWOP-UHFFFAOYSA-N	318.392	3.265	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@H](O)c1ccccc1	288547145	LFUYYPRMTYRPCV-ACJLOTCBSA-N	302.393	3.103	10	20	DGCD	
C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1O	303268028	FVYOKSWSBHEVBD-PBHICJAKSA-N	314.404	3.456	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1	324044488	UVAMAIRBKIKIHJ-OAHLLOKOSA-N	312.369	3.077	10	20	DGCD	
CO[C@@H](C1CC1)[C@@H](C)NCc1cc(Br)ccc1O	388233765	NMQCMXJIQZAHKB-YMTOWFKASA-N	314.223	3.058	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C	528829556	YBWVVNVXOZKWGW-WSMBLCCSSA-N	305.418	3.190	10	20	DGCD	
Cc1c(CN[C@@H]2CCN(C)[C@H]3CCC[C@H]32)n(C)c2ccccc12	556877824	MRHVJSUCSNTFAD-KSZLIROESA-N	311.473	3.449	10	20	DGCD	
CC[C@H](Cc1ccccc1)C(=O)NCc1cc(OC)ccc1O	734017057	ZBJUCRWVPDXNHG-OAHLLOKOSA-N	313.397	3.286	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)ccn1	734407438	VYBNOHPEFYYWNE-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)n[nH]1	752924600	HTYTWOZOCSUMII-VXGBXAGGSA-N	319.428	3.374	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CC[C@@H]3SCCS[C@@H]32)cc1C	762611072	CIVGFUWKBYWDLE-VNQPRFMTSA-N	309.500	3.478	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@@H](Nc2ccccc2)C1	769504216	QCSXFGGWJJUGSV-MRXNPFEDSA-N	312.413	3.477	10	20	DGCD	
CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(O)c1O	770505927	OMWZKGZKEGJWCF-CHWSQXEVSA-N	309.431	3.200	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1	773757963	SPOUCSZEJCBGNZ-CABCVRRESA-N	316.367	3.030	10	20	DGCD	
CC1CCN(C(=O)[C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	774483377	KEFFLRHSIQTKHT-HOTGVXAUSA-N	317.477	3.050	10	20	DGCD	
C[C@H]1[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2O)CCN1C	775985868	PJMCRFVZSWVEIK-VHSXEESVSA-N	303.233	3.223	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccc1N(C)C	776165480	RCMWUXTUHJCPNL-NXHRZFHOSA-N	302.462	3.354	10	20	DGCD	
CCN(Cc1ccccc1O)Cc1ccc(OC)cc1OC	778995499	ASPSIDOLFGHLFM-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
Cc1cnc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)c1	780590453	RVNCBZXNEPTRJZ-UHFFFAOYSA-N	310.397	3.213	10	20	DGCD	
C[C@@H](CCO)C1(CNCc2c(O)ccc(Cl)c2F)CCC1	790991705	ZOJYZRZUZPRVGK-NSHDSACASA-N	315.816	3.463	10	20	DGCD	
CCN(CC)c1ccc(CNS(=O)(=O)c2ccsc2)cc1	795805098	CBXPUGMAWGSRAX-UHFFFAOYSA-N	324.471	3.073	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c1	797458520	NCGVOTJBXBGOET-RDBSUJKOSA-N	320.433	3.272	10	20	DGCD	
CCCCN(CC(=O)N[C@H](C)C(C)C)Cc1ccccc1O	801597495	IIIIPLGXJMDNLA-OAHLLOKOSA-N	306.450	3.155	10	20	DGCD	
CC[C@H](NCCOC[C@H]1CCOC1)c1cccc(Cl)c1O	806139568	PRPWBNZACDWTJE-WFASDCNBSA-N	313.825	3.139	10	20	DGCD	
Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(O)cs1)N(C)C	807491710	ADSRFQUZTUABJE-BLLLJJGKSA-N	318.442	3.183	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCCN2CCCCC2=O)c1O	808692996	BWXJBPFOGYMUKJ-CYBMUJFWSA-N	324.852	3.407	10	20	DGCD	
COc1cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(O)cc1C	811777273	IGVCSWNYWUGYPI-RDJZCZTQSA-N	305.418	3.099	10	20	DGCD	
C[C@H](CNCc1cc(Cl)c(F)cc1O)CN1CCCCC1	816536799	KIQLLZAMDCYZNO-GFCCVEGCSA-N	314.832	3.396	10	20	DGCD	
CC(C)(C)N1C[C@H](NCc2ccc3ccccc3c2O)CC1=O	816555950	VCNZCXGSKCLUMC-OAHLLOKOSA-N	312.413	3.034	10	20	DGCD	
COC(=O)[C@@H]1CCCCCN1Cc1cc(Cl)c(F)cc1O	816565806	BXLVIPGYLBKNOA-ZDUSSCGKSA-N	315.772	3.102	10	20	DGCD	
CC(C)NCCCN[C@@H](C)c1cc(Br)ccc1O	817954157	VLGLAGBZNOOHSW-NSHDSACASA-N	315.255	3.193	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@H]2CNC[C@@H]2C1)c1ccc(N(C)C)cc1	817985204	HCAZQOXKPRKMNF-BMFAXAFESA-N	301.478	3.181	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC2=NC[C@@H](C)S2)cc1	819764296	TTWNDZGKKVIMHG-CYBMUJFWSA-N	313.426	3.315	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)NCc1ccc(N(C)C)c(F)c1	824554188	BZYAWWNCOZEZPP-LBPRGKRZSA-N	322.346	3.339	10	20	DGCD	
CCCC(=O)NC1CCN(Cc2cc(Cl)c(C)cc2O)CC1	824596115	AIIGPBAXMNVUHZ-UHFFFAOYSA-N	324.852	3.235	10	20	DGCD	
CCOc1cccc(CNC[C@@H]2CCOC3(CCC3)C2)c1O	824751306	TWQSVQZPGKNOIL-CQSZACIVSA-N	305.418	3.230	10	20	DGCD	
C[C@@H]1CSCCN1Cc1ccc(Br)cc1O	824808965	OKUHHBUBBARWOG-SECBINFHSA-N	302.237	3.092	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H]2C[C@H](OC)C23CCC3)c1O	839182839	QILNZRSRYKPBPO-KBPBESRZSA-N	311.809	3.101	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1CCOC2(CCC2)C1	840950914	QPJKZTBXUMEYTQ-MRXNPFEDSA-N	302.462	3.500	10	20	DGCD	
COc1cc(NC(=O)NCCc2ccc(N)cc2)c(C)cc1C	841226621	ODQLKRBROSERMP-UHFFFAOYSA-N	313.401	3.258	10	20	DGCD	
C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(Cl)cc1O	841752967	DGTCMOCQPXHQEQ-NCHVAJSOSA-N	319.788	3.191	10	20	DGCD	
CC(C)[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H]1C(C)C	841956120	VWWYTVJOXUPHCE-DLBZAZTESA-N	303.450	3.133	10	20	DGCD	
CCC(CC)n1ccc(-c2nc(Cc3ccc(N)cc3)no2)n1	843160479	YPQGZYDZMGLSET-UHFFFAOYSA-N	311.389	3.467	10	20	DGCD	
Cc1cc(Br)cc(CN[C@@H]2CCS[C@@H]2C)c1O	843435196	RBFWGAAXZDVSPV-BXKDBHETSA-N	316.264	3.447	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1O	846143611	JWOGBGDGYNTWBL-FPCVCCKLSA-N	320.477	3.418	10	20	DGCD	
CCc1noc(CN(C)c2ccc(-c3nccs3)cc2)n1	846991407	KATJEYJDMSNYDS-UHFFFAOYSA-N	300.387	3.392	10	20	DGCD	
CCN(CC)c1ccc(CNC(=S)NCC2CC2)cc1F	849257469	DLSOOCOIBOBIOG-UHFFFAOYSA-N	309.454	3.046	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCc3sccc32)c1	862758457	ZTWJJIMGEQNMKO-CQSZACIVSA-N	301.411	3.498	10	20	DGCD	
CO[C@H](C)CC(=O)NCc1cc(C)n(-c2ccccc2)c1C	863164855	CYOCTLUBVDVQSD-CQSZACIVSA-N	300.402	3.135	10	20	DGCD	
CC[C@H](N[C@H]1C[C@@H](CO)C1)c1ccc(C(F)(F)F)cc1O	866415910	IDMGZYPYQBRDCG-NDMJEZRESA-N	303.324	3.223	10	20	DGCD	
CCn1cc(C(=O)NCc2cc(Cl)ccc2O)c(C2CC2)n1	869146089	FLZJVPTUETWKIF-UHFFFAOYSA-N	319.792	3.069	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccccn2)cc1Cn1cccn1	873006971	DUXAKTNYRJTSPN-HNNXBMFYSA-N	322.412	3.186	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc(OCC(C)(C)O)cc1	876861522	BEIQTQIODGKXEJ-UHFFFAOYSA-N	301.386	3.462	10	20	DGCD	
CC(C)(C)OC(=O)CCCCNCc1cc(F)cc(F)c1O	883082634	MKICBGFEOPQNGE-UHFFFAOYSA-N	315.360	3.272	10	20	DGCD	
COc1ccc(N(Cc2cccnc2[N+](=O)[O-])CC2CC2)cc1	886231385	CNRZBQRBUCWRFL-UHFFFAOYSA-N	313.357	3.415	10	20	DGCD	
COc1ccc(CNCc2nc(C3CC3)cs2)c(O)c1OC	893171298	CBZGWUOLEGGPIO-UHFFFAOYSA-N	320.414	3.033	10	20	DGCD	
Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(F)cc(F)c1O	894093005	ATFNBTKLWKIZGL-OAHLLOKOSA-N	307.344	3.049	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2[nH]ccc2n1	906113189	SMDVHBPJLYHESV-UHFFFAOYSA-N	320.396	3.093	10	20	DGCD	
CCc1nc(C(C)C)ccc1C(=O)NCc1ccc(O)cc1O	910943820	IEXKAAGJKOMQJD-UHFFFAOYSA-N	314.385	3.109	10	20	DGCD	
COc1ccc(N(C)Cc2noc3c2COCC3)cc1Cl	929828890	MKQLPMQGYIUJIY-UHFFFAOYSA-N	308.765	3.046	10	20	DGCD	
CCC1(CC)[C@@H](N(C)C(=O)NCc2ccc(N)cc2)C[C@H]1OC	1337018346	KDDCLLPEEIOFLQ-JKSUJKDBSA-N	319.449	3.004	10	20	DGCD	
C[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccc(F)cc1F	1576024945	WKEGYUFSAPFKGI-LLVKDONJSA-N	319.355	3.150	10	20	DGCD	
O=C(O)c1ccccc1CNCc1c(O)ccc(Cl)c1F	1595255838	ZOUDHGNWMFUVBZ-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
C[C@@H]1CCC[C@](NCc2ccc3c(c2)CCCO3)(C(=O)O)C1	1776633942	HLCYBRUENSPGAP-FZKQIMNGSA-N	303.402	3.135	10	20	DGCD	
CC[C@@H](C)CN(C)C(=O)NCc1ccc(N2CCCC2)cc1	171836466	NZVWZOGOEANHRA-OAHLLOKOSA-N	303.450	3.474	10	20	DGCD	
Cc1cc(C)nc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1	125665068	NTEXCOOLBHCKLR-UHFFFAOYSA-N	322.412	3.396	10	20	DGCD	
Nc1ccc(CC(=O)Nc2cccc(CN3CCCC3)c2)cc1	319970138	DRVWLUHPOAPCGO-UHFFFAOYSA-N	309.413	3.046	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2CCC[C@H](C)C2)cc1Cl	131449375	LLJLGXRSKALZHE-LBPRGKRZSA-N	310.825	3.043	10	20	DGCD	
O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1	42796631	GOCMVEQRZLTSQJ-UHFFFAOYSA-N	313.357	3.044	10	20	DGCD	
CCc1onc(C)c1NC(=O)NCc1ccc(N(C)C)cc1C	89415727	CCKCOBAVPHSGAC-UHFFFAOYSA-N	316.405	3.242	10	20	DGCD	
COC(=O)[C@@]1(C)CCN(Cc2cc(Cl)cc(Cl)c2O)C1	93813769	SGZBUUOLIWXKHV-AWEZNQCLSA-N	318.200	3.084	10	20	DGCD	
CCOc1cc(CN(C)Cc2ccccc2O)ccc1OC	91956746	PJWROGJUTQXSRQ-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
CC[C@H]1CC[C@@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)O1	268233841	YQPRLTSTIUNAPQ-IRXDYDNUSA-N	304.434	3.059	10	20	DGCD	
Cc1cccc([C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)c1	273114615	BMKMXAFSXXASCR-JKNJVXJCSA-N	323.392	3.436	10	20	DGCD	
COC[C@H]1CCCCN(Cc2cc(Cl)cc(OC)c2O)C1	375096242	DKJGWQIOAHIKLD-LBPRGKRZSA-N	313.825	3.303	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCC[C@@H](O)c2ccccc2)c1	289538148	WPMYQHOAVQNDJQ-CXAGYDPISA-N	301.386	3.175	10	20	DGCD	
CCOc1ccc(CN2CCCCC[C@H]2C[C@H](C)O)c(O)c1	809700707	MWNAIOJHIWETMY-HOCLYGCPSA-N	307.434	3.306	10	20	DGCD	
COC(=O)c1cnc(SCC(=O)[C@H]2C[C@H]3CC[C@H]2C3)s1	295351226	QTFXBOKKCXBBAN-GUBZILKMSA-N	311.428	3.027	10	20	DGCD	
C[C@H](NCc1cc(Cl)c(F)cc1O)[C@H](O)Cc1ccccc1	816558121	NULKTMDGAZDLIS-MEDUHNTESA-N	323.795	3.266	10	20	DGCD	
CO[C@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)C1CC1	815153834	ZBWFEQYLKAIXAR-OAHLLOKOSA-N	316.367	3.286	10	20	DGCD	
CSC1(CN[C@@H](C)c2cc(C)ccc2O)CCN(C)CC1	810252938	WZFPZRYMHIYAHF-AWEZNQCLSA-N	308.491	3.179	10	20	DGCD	
CN(C)c1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1F	727658647	ILWMLRWAVISMSB-XFXZXTDPSA-N	316.357	3.298	10	20	DGCD	
COC1(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)CCCC1	824445596	GPSXLPIQHSBUOK-UHFFFAOYSA-N	314.769	3.003	10	20	DGCD	
COc1cccc(O)c1CNC[C@@](C)(OC)c1ccccc1	824780648	YFMSPNIZVNYFRL-GOSISDBHSA-N	301.386	3.052	10	20	DGCD	
CCN(CCSC)C(=O)NCc1ccc(N(CC)CC)cc1	825722383	YAEOJSLQGQLGPF-UHFFFAOYSA-N	323.506	3.427	10	20	DGCD	
CCc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)nc1	821841889	GQQRAMJJGKOSII-UHFFFAOYSA-N	323.440	3.103	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CC12CCSCC2)c1ccc(N(C)C)cc1	828862751	YGPZPVFSAMWYNW-XJKSGUPXSA-N	318.486	3.463	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)c2nnc3ccccn23)cc1Cl	825070885	OFQQBZIDLOUHEC-LLVKDONJSA-N	316.792	3.248	10	20	DGCD	
COc1cc(CN(C)[C@@H]2CCCOC2)c(O)c(C(C)(C)C)c1	825882733	NTNAGMPEWOPRRC-CQSZACIVSA-N	307.434	3.309	10	20	DGCD	
CC[C@@H](NCc1ccc(OCc2ccccc2)cc1O)[C@H](C)O	824922233	YJCAYKQJYYWYDK-KBXCAEBGSA-N	315.413	3.220	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCC2(F)F)c1	825737327	ZHTSZDMAJWGZSP-MFKMUULPSA-N	313.344	3.404	10	20	DGCD	
CCn1nc(C)c(CN(c2ccc(OC)c(F)c2)C(C)C)n1	828268019	PXXQWISCNFPIMN-UHFFFAOYSA-N	306.385	3.169	10	20	DGCD	
Cc1cc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1	903449644	YYANMBCZEXWNKR-RDTXWAMCSA-N	316.449	3.003	10	20	DGCD	
O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc(O)cs1	732277526	JQWFQISGTDXCLQ-CJNGLKHVSA-N	317.410	3.351	10	20	DGCD	
COc1ccc(N(CC(=O)Nc2nccs2)CC2CC2)cc1	831588371	YDLJSFMJRGXNFW-UHFFFAOYSA-N	317.414	3.007	10	20	DGCD	
O=C(O)c1ccc2c(c1)[C@H](CNCc1ccccc1O)CCC2	901882275	ZIRYRFRGXMTGFA-HNNXBMFYSA-N	311.381	3.300	10	20	DGCD	
CCN(CC)c1ccc(CNC(C)(C)c2cnn(C)c2)cc1	742374007	OFSRMHVZFFNCOW-UHFFFAOYSA-N	300.450	3.291	10	20	DGCD	
O=C(COc1ccc(N2CCCC2)cc1)NCC1CCCCC1	749796003	QATVABZMVAHBCZ-UHFFFAOYSA-N	316.445	3.362	10	20	DGCD	
CCC1CCC(N(CCO)C(=O)Nc2ccc(N)cc2)CC1	841297742	TYNCTLGSVXABAQ-UHFFFAOYSA-N	305.422	3.064	10	20	DGCD	
CCCC1(C(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1	844854767	LYVQTBQAVACFKQ-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC([C@H]2CCCN2)CC1	843044713	GDAGPYUWYFPJNK-OAHLLOKOSA-N	312.816	3.149	10	20	DGCD	
COCC[C@H](Cc1ccco1)N[C@@H](C)c1cccc(OC)c1O	846161727	BVKJWSRKTPDJPT-UONOGXRCSA-N	319.401	3.292	10	20	DGCD	
COc1cccc([C@@H](C)NCC[C@@](C)(O)c2ccccc2)c1O	846164149	NLMWNVOQCSDBQQ-AUUYWEPGSA-N	315.413	3.349	10	20	DGCD	
CCC[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)OCC	858683912	YGQKINLNYMJIAY-ZDUSSCGKSA-N	314.813	3.050	10	20	DGCD	
CC(C)c1cc(C(=O)NCc2cc(Cl)ccc2O)cc(O)n1	857548314	IUTKISSZOBVVOF-UHFFFAOYSA-N	320.776	3.200	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@H]2CCCSC2)cc1F	858163768	JMWMIGBLTKHGME-LLVKDONJSA-N	300.418	3.264	10	20	DGCD	
CSCC1(CCNC(=O)NCc2cc(C)ccc2O)CC1	858606942	QTNCTPCFEVTOSE-UHFFFAOYSA-N	308.447	3.033	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCN(C)C[C@@H]2c2ccccc2)c1	754727813	QKNJHAWSHFBOCE-LJQANCHMSA-N	310.441	3.498	10	20	DGCD	
CC(C)(C)OC1CC(CCNCc2cc3c(cc2O)OCO3)C1	762457898	VEBNNIMGHGJITL-UHFFFAOYSA-N	321.417	3.194	10	20	DGCD	
Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)nn1C	767889383	IOXCERCQLSVNSA-UHFFFAOYSA-N	307.344	3.283	10	20	DGCD	
CCCC1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1	760322091	VFRWIFLJJXOGKL-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
Cc1cccc(O)c1CNCc1ccc(CN2CCCC2=O)cc1	876956684	NZEPDOXOYNVSCL-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
COc1cc(O)c(CN2CCc3cccc(C)c3C2)cc1OC	762088990	WOJFTNDVCJMXNY-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
COc1cc(Cl)ccc1NCc1cc2c(cc1O)OCO2	775344497	IPIMDFDNRFSLIK-UHFFFAOYSA-N	307.733	3.395	10	20	DGCD	
C[C@H](NCCC(C)(C)O)c1cc(Br)cc(F)c1O	775586569	SIKISIHIEMHPJG-QMMMGPOBSA-N	320.202	3.105	10	20	DGCD	
CC[C@@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])c(OC)c1O	775063298	PMSANFAREZVVSX-VIFPVBQESA-N	322.283	3.130	10	20	DGCD	
COCCOc1ccccc1CNCc1ccc(C)cc1O	876958451	DKWCHDTVKKFXDM-UHFFFAOYSA-N	301.386	3.016	10	20	DGCD	
C[C@H](NC(=O)NCc1ccccc1F)c1ccc(N(C)C)cc1	773115021	WTKQLMKTPNRMLZ-ZDUSSCGKSA-N	315.392	3.452	10	20	DGCD	
CN(C(=O)Nc1c(-c2ccccn2)nc2ccccn12)C1CCC1	888592124	RJRCVYZWNIOVFR-UHFFFAOYSA-N	321.384	3.413	10	20	DGCD	
C[C@@H](NC[C@@H](CO)c1ccc(F)cc1)c1c(O)cccc1F	886626492	CXFKMKUVARQCMG-YPMHNXCESA-N	307.340	3.097	10	20	DGCD	
C[C@@H]1CCC[C@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)C1	775649402	QXLBPWLPOXOHJF-XLIONFOSSA-N	315.505	3.449	10	20	DGCD	
CCN(C)c1ccc(Cn2cc(C3CCC(=O)CC3)nn2)cc1	881314004	XUUNNLVCJMRXBS-UHFFFAOYSA-N	312.417	3.009	10	20	DGCD	
CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc(C)c(C)cc2O)C1	780778912	XZEZJKLRRHBHDP-GOSISDBHSA-N	324.424	3.076	10	20	DGCD	
CCOc1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1OC	780895793	GDHOXPXTMVFYLL-UHFFFAOYSA-N	317.341	3.066	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc3c2OCC3(C)C)cc1	788728783	RBIOPULXLZZVOA-UHFFFAOYSA-N	324.424	3.353	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](c2ccccc2)C(C)C)c(O)c1	794382084	XLYVTEWLADYIBY-GOSISDBHSA-N	313.397	3.457	10	20	DGCD	
COc1ccc(N(Cc2n[nH]c(C)n2)Cc2cccs2)cc1	794412942	JPLMJZGIQQRGCA-UHFFFAOYSA-N	314.414	3.390	10	20	DGCD	
COC(=O)CCN(Cc1ccc(N2CCCC2)cc1)C(C)C	1320498169	TVOIUBWNXOLSSW-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
C[C@@H](Nc1cnn(Cc2cccnc2)c1)c1cc(F)ccc1O	1323830740	SSHNTSPGBNUCKO-GFCCVEGCSA-N	312.348	3.344	10	20	DGCD	
COC(=O)[C@@H](C)CN(Cc1ccc(N2CCCC2)cc1)C1CC1	1342502427	GJWLNDXBMNXFHI-HNNXBMFYSA-N	316.445	3.060	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)C1(Sc2ccccc2)CC1	1341947069	VRHQWYAPZBWOEH-UHFFFAOYSA-N	315.394	3.039	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1	1353261977	TYIWJHRFWWPVRA-YQQAZPJKSA-N	301.434	3.427	10	20	DGCD	
O=C(O)c1cnc(SCCCc2nc3ccccc3[nH]2)s1	1608979409	ZIGSNFJVAYJHRD-UHFFFAOYSA-N	319.411	3.443	10	20	DGCD	
COc1ccc(CN[C@@H](C(=O)O)c2cc(F)ccc2F)cc1C	1610336234	PSMOFVGHAJXYMT-MRXNPFEDSA-N	321.323	3.197	10	20	DGCD	
Cc1cccc(OCCCNC(=O)Cc2ccc(N)cc2)c1C	1579773011	RYTPLEWDKPUFQN-UHFFFAOYSA-N	312.413	3.013	10	20	DGCD	
CN1CCc2cc(/C=C(\CC(=O)O)c3ccc(C=O)o3)ccc21	1777093768	UROXVZRDGCHFOQ-NTEUORMPSA-N	311.337	3.100	10	20	DGCD	
COc1ccc2c(c1)CCN2[C@@H](C(=O)O)c1ccc(F)c(F)c1	1777373349	VKUVZTGZPNYCSV-MRXNPFEDSA-N	319.307	3.162	10	20	DGCD	
CC[C@@H](NCCCc1cnn(C)c1)c1ccc(N(C)C)cc1	158293383	WTFVONZCNDVGDV-GOSISDBHSA-N	300.450	3.160	10	20	DGCD	
Cn1ccc(/C=C2/SC(=S)N([C@H]3C[C@H]4CC[C@@H]3C4)C2=O)c1	160312304	IPYGRALARVKFOW-MGYPKDCLSA-N	318.467	3.415	10	20	DGCD	
CCO[C@@H]1CCCN(Cc2cccc(Br)c2O)C1	155447401	BRJYBWPTCLPVAT-GFCCVEGCSA-N	314.223	3.156	10	20	DGCD	
C[C@@H](Cn1cccn1)NCc1cc(Cl)cc(Cl)c1O	37155613	ZGIRQEOVOWMNLG-VIFPVBQESA-N	300.189	3.074	10	20	DGCD	
CCC[C@H](CNCc1cccc(Br)c1O)OC	378689562	HLNVKGUGQQOCHB-LLVKDONJSA-N	302.212	3.059	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1NC(=S)NCc1ccc(N(C)C)cc1	7371682	CRPPDGSYRFUSBI-CJNGLKHVSA-N	305.491	3.295	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)COC1CCCCC1	66096277	FCIVXXPCERPPKO-UHFFFAOYSA-N	305.418	3.480	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1COc2ccccc21	75159457	PULNXOUCGZHDQF-KRWDZBQOSA-N	323.392	3.063	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C3(C)CCCCC3)CC2)cc1	122352058	KBIFTGCEKSTAMB-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
CC(C)C[C@H](C)NC(=O)NCCCSc1nccs1	130868193	OBEOHBVIOXKGJW-NSHDSACASA-N	301.481	3.359	10	20	DGCD	
C[C@@H](NCc1nncn1-c1ccccc1)c1ccc(N(C)C)cc1	152642610	XESVLEMQZOHSAN-OAHLLOKOSA-N	321.428	3.184	10	20	DGCD	
COc1cccc(CNC(=O)c2cc(C)n(C3CC3)c2C)c1O	155574775	DPBHBVWUXYPYID-UHFFFAOYSA-N	314.385	3.084	10	20	DGCD	
C[C@@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(N2CCOCC2)cc1	155670914	MVAABIRFKNRANE-KCITZHQASA-N	312.457	3.386	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cccc3ccc(C)nc23)c1	156454316	OOLQFOPWFUGUNM-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
C[C@H](NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O	170789512	ACJQWNXEHUPMRA-WDEREUQCSA-N	320.330	3.066	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1c(F)cc(F)cc1F	174257463	YWUFVJACGFHSDN-UHFFFAOYSA-N	310.275	3.473	10	20	DGCD	
CN(Cc1cncc(Br)c1)c1ccc2c(c1)OCO2	178882604	ANPTXHRNGORKSP-UHFFFAOYSA-N	321.174	3.209	10	20	DGCD	
Cc1ccc(C(=O)N[C@H]2CCCOc3ccccc32)c(O)c1O	179468527	APWBBTHHGYDARC-AWEZNQCLSA-N	313.353	3.050	10	20	DGCD	
CCN(C[C@H]1CCN(Cc2ccccc2O)C1)CC(F)(F)F	179582410	YXKPLTPXCBBZHD-CYBMUJFWSA-N	316.367	3.098	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(C)(C)CCOC)cc1F	183574910	OSJHTMSMKIZQMC-UHFFFAOYSA-N	324.440	3.351	10	20	DGCD	
C[C@H](NCc1cccc(CN(C)C)c1)c1cc(F)ccc1O	184937503	UPRZLPSCNWYCCS-ZDUSSCGKSA-N	302.393	3.444	10	20	DGCD	
CC(C)NC(=O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1O	184981599	MBCZLNARFAXVKI-VIFPVBQESA-N	319.232	3.264	10	20	DGCD	
C[C@H](NCCC(=O)Nc1ccccc1)c1cc(F)ccc1O	185443814	QAPUFFBBNAEICK-LBPRGKRZSA-N	302.349	3.211	10	20	DGCD	
CC[C@@H](CN[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	227714360	UASVTRCFLORHNC-OLZOCXBDSA-N	308.422	3.346	10	20	DGCD	
Nc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1	228391661	VAYTXDYJYXOGJR-STQMWFEESA-N	300.324	3.254	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN[C@H]1CCN2CCCC[C@@H]12	236677318	LTISOUGZWPHBQU-PMACEKPBSA-N	313.489	3.393	10	20	DGCD	
CNCCN(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	237345159	MRUSDPXDMWOUDJ-UHFFFAOYSA-N	319.836	3.039	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1	238119489	DYIYVWFSENLVCM-UHFFFAOYSA-N	324.302	3.391	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C	268821794	HVNMKAAFBPTHST-QGZVFWFLSA-N	308.441	3.311	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](Cc2nc(C)no2)c2ccccc2)c1	277756633	WTQDQCXYHDNKNO-KRWDZBQOSA-N	323.396	3.466	10	20	DGCD	
CC[C@H](NC[C@@H](O)c1cccc(OC)c1)c1ccc(C)cc1O	280126266	ORETTXZTZBXNQP-PKOBYXMFSA-N	315.413	3.484	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2ccc(Br)cc2O)n(C)n1	284263369	JAAWYFWETMXJDD-JTQLQIEISA-N	324.222	3.047	10	20	DGCD	
CC[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1O	285703032	PCXPXMAXSLTTKP-DOTOQJQBSA-N	307.340	3.445	10	20	DGCD	
CC[C@H](NC[C@H](O)c1ccccc1F)c1ccc(F)cc1O	286157931	PSUYSWDNOOZUPU-RDJZCZTQSA-N	307.340	3.445	10	20	DGCD	
C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1cc(F)ccc1O	296333544	HLBMQUATZCFILV-MRVPVSSYSA-N	315.270	3.191	10	20	DGCD	
CC(C)c1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)no1	299095401	KERXBQQMRFISAD-UHFFFAOYSA-N	314.433	3.424	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)c2ccccc2Cl)c1	305779200	RKIGPVSGZJLSCR-DIFFPNOSSA-N	321.804	3.438	10	20	DGCD	
Oc1c(Br)cccc1CNCC1CC(F)(F)C1	383326494	YNBOXBFXMSGPPQ-UHFFFAOYSA-N	306.150	3.290	10	20	DGCD	
CCN1CCN(c2ccc(CNc3nccs3)cc2F)CC1	730108723	RVLZWSCAWQBXJW-UHFFFAOYSA-N	320.437	3.036	10	20	DGCD	
O=C(NCc1cccc(OCC(F)F)c1)c1cc(O)cs1	732282358	MSZGUWYYLBEPSG-UHFFFAOYSA-N	313.325	3.028	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Cl)ccc1O	734406258	SXZBQJTYMXLERV-UHFFFAOYSA-N	318.804	3.350	10	20	DGCD	
CC[C@@H](O)CCCNC(=O)c1sccc1-n1c(C)ccc1C	748550381	KWOAQCLACXCMGI-CQSZACIVSA-N	320.458	3.437	10	20	DGCD	
CC(C)Oc1ccccc1CC(=O)N(C)Cc1ccccc1O	748841864	ZDFSFEVAFPBEJP-UHFFFAOYSA-N	313.397	3.381	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCc3c(F)cccc3C2)c1O	757148682	DPYXDSLAVBTESX-UHFFFAOYSA-N	317.335	3.431	10	20	DGCD	
C[C@H](O)C[C@@H](C)N[C@@H](C)c1cc(Br)cc(F)c1O	757659032	XGWXQKNRNPXZSQ-VGMNWLOBSA-N	320.202	3.104	10	20	DGCD	
COc1ccc(N2CCC(NCC3CCSCC3)CC2)cc1	765962186	SOWNBPTYXUISHX-UHFFFAOYSA-N	320.502	3.397	10	20	DGCD	
CNC(=O)c1cccc(CN2CCCCc3cc(OC)ccc32)c1	766268904	GYXFDUBFRFFJOF-UHFFFAOYSA-N	324.424	3.398	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1csc(C=O)c1	769289454	FVLSGJDYAJXOBH-UHFFFAOYSA-N	303.383	3.319	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC2[C@H](C)CCC[C@H]2C)c1O	774980898	FAYHCNGBOFQFQU-GHMZBOCLSA-N	308.378	3.223	10	20	DGCD	
CCCCC[C@H](C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775830421	IEVYQERJSDSZFT-JKSUJKDBSA-N	319.493	3.488	10	20	DGCD	
CN(C)c1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1	780507923	GSJSJZRQHULSCJ-UHFFFAOYSA-N	312.442	3.494	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(F)c1F	789833927	BOWPJIKBMCTHEL-VIFPVBQESA-N	322.311	3.129	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC[C@@H](N2CCCC2)C1	792167290	KJNIBSLMHXWTCM-GFCCVEGCSA-N	312.816	3.245	10	20	DGCD	
Cc1ccnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1	792247957	BKYPCJRIURLQOB-GOSISDBHSA-N	312.413	3.277	10	20	DGCD	
COc1ccc(CNCc2c[nH]nc2-c2ccccc2)c(O)c1	793390849	SAJLTKIDPJKONN-UHFFFAOYSA-N	309.369	3.081	10	20	DGCD	
CC[C@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(C)cc1O	794815727	LDKMQLQDFWQSMV-WBVHZDCISA-N	319.445	3.470	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc3[nH]ccc3c2)c(O)c1	797621119	ZAQHUCSJSURQIW-UHFFFAOYSA-N	311.341	3.204	10	20	DGCD	
C[C@@H](NC[C@H](CO)CC1CCCC1)c1cc([N+](=O)[O-])ccc1O	798937663	NQOKREGYVSCXTF-TZMCWYRMSA-N	322.405	3.140	10	20	DGCD	
CSc1ccccc1[C@H](C)NC(=O)c1cccc(O)c1O	799741375	LWFVMFCUNRZOSJ-JTQLQIEISA-N	303.383	3.311	10	20	DGCD	
CCSCCCNCc1cc(Cl)cc([N+](=O)[O-])c1O	800282452	QXLGZIHSFBATBV-UHFFFAOYSA-N	304.799	3.187	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CCn1cccc1	801549879	DXKDMIQBYLAEAN-UHFFFAOYSA-N	300.402	3.413	10	20	DGCD	
CC[C@H](N[C@@H](CCO)CSC)c1cccc(Cl)c1O	806139440	AOHCBJOULBEIHJ-GWCFXTLKSA-N	303.855	3.200	10	20	DGCD	
CC(C)(C)OCC(=O)NCc1cc(Cl)cc(Cl)c1O	807840726	IJSVDBHTCFGWAF-UHFFFAOYSA-N	306.189	3.130	10	20	DGCD	
CCOC(=O)CC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1	815015220	HNAWSOZVWNCFCT-UHFFFAOYSA-N	318.461	3.226	10	20	DGCD	
Cc1cc(CN2CC[C@@H](C3CCOCC3)C2)ccc1N(C)C	815075940	OSOKOACADGSSGF-GOSISDBHSA-N	302.462	3.310	10	20	DGCD	
C[C@H](NC[C@H]1CCCNC1)c1ccc(N2CCCCC2)cc1	817946475	XYSLWWIVSZKJLV-IRXDYDNUSA-N	301.478	3.327	10	20	DGCD	
C[C@H]1CC(C)(C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1	840282006	YNZXPYQEPGYQBJ-LBPRGKRZSA-N	307.413	3.222	10	20	DGCD	
C[C@H](N)[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	843046676	YWAADUWUUYTZKT-QFBILLFUSA-N	301.478	3.379	10	20	DGCD	
Cc1cc(Br)c(O)c(CN2CCC[C@H](F)C2)c1	846121333	YJOJTEDGKYYICS-NSHDSACASA-N	302.187	3.397	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H]2COC3(CCCCC3)O2)c1O	846157120	AIQFOCRJWJLODR-UONOGXRCSA-N	321.417	3.127	10	20	DGCD	
CCc1cccc(CN[C@@H](CCOC)Cc2ccco2)c1O	848903015	WYHYJWFAQJEMNJ-INIZCTEOSA-N	303.402	3.285	10	20	DGCD	
Cc1cc(CNC(=O)CCc2ncc[nH]2)c(C)n1-c1ccccc1	863165093	ZXQKEQBXBKKGMG-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
COc1cc(N(C)Cc2ccc(C)cc2O)cc(OC)c1OC	877180166	OXZGYNXOKRTSIW-UHFFFAOYSA-N	317.385	3.363	10	20	DGCD	
Cc1cccc(CNc2cccc([C@]3(C)COC(=O)N3)c2)c1O	895639540	LFTJBQSWKXAQKW-SFHVURJKSA-N	312.369	3.268	10	20	DGCD	
CCOCCOCCSc1ncc(-c2ccccc2)n1C	916202808	DVUJWEJXUCRULY-UHFFFAOYSA-N	306.431	3.232	10	20	DGCD	
CC(C)[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	935465425	QURHKTZAWHSNHH-QILLFSRXSA-N	318.461	3.381	10	20	DGCD	
CCc1cccc(CN2CCC[C@H](Cc3nccn3C)C2)c1O	1261559659	VFPFZZRWSXDZHQ-OAHLLOKOSA-N	313.445	3.143	10	20	DGCD	
COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1ccc(N)cc1	1262597363	MDWGHJMEGRYWHK-CYBMUJFWSA-N	313.401	3.146	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ncnn1C(C)(C)C	1321374418	ZWUINKOVNVTKRH-OLZOCXBDSA-N	314.433	3.385	10	20	DGCD	
Fc1cc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)cc(F)c1N1CCOCC1	1328759724	YVMFOZSYZCRZJC-JKIFEVAISA-N	322.399	3.080	10	20	DGCD	
CC(C)Cn1c(C(F)F)nnc1N(C)Cc1ccccc1O	1358066546	HQHPJNXOSBMJJG-UHFFFAOYSA-N	310.348	3.214	10	20	DGCD	
Cc1cc(S(=O)(=O)Oc2ccc(N)cc2)ccc1OC(C)C	1579641018	LNRQGDCRLALWFR-UHFFFAOYSA-N	321.398	3.132	10	20	DGCD	
CN(C)c1ccc(CN(Cc2occc2C(=O)O)C2CC2)cc1	1598317701	KFHPDNDQWXAORM-UHFFFAOYSA-N	314.385	3.208	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CC(=O)O)c2cccc(F)c2)cc1	1777039559	LKGKSPGBXNSKLT-KRWDZBQOSA-N	316.376	3.197	10	20	DGCD	
Cc1ccc(Cl)c(OCC(=O)N(C)c2ccc(N)cc2)c1	37285452	RSEVTHSHPONALX-UHFFFAOYSA-N	304.777	3.272	10	20	DGCD	
COc1ccsc1C(=O)NCc1ccc2c(c1)CCCN2C	105957045	UERXQASJYURSMM-UHFFFAOYSA-N	316.426	3.069	10	20	DGCD	
O=C1/C(=C/c2cccs2)SC(=S)N1Cc1ccon1	130335648	OCQJLKNXKPJBGR-POHAHGRESA-N	308.409	3.138	10	20	DGCD	
CC[C@H](NCc1ccon1)c1cc(Br)ccc1O	148710439	UCHINJBCBXDBDS-LBPRGKRZSA-N	311.179	3.384	10	20	DGCD	
CC[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccccc1O	155676824	VOABVUDUXGOIBP-QGZVFWFLSA-N	308.385	3.214	10	20	DGCD	
C[C@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(N(C)C)cc1	165077981	GLZYNADUZCBVIS-HNNXBMFYSA-N	317.477	3.052	10	20	DGCD	
CCN(CCSC)Cc1cc(Br)ccc1O	174426747	ASSOIFGCARLBDR-UHFFFAOYSA-N	304.253	3.340	10	20	DGCD	
C[C@@H]1CSCCN1Cc1cccc(Br)c1O	179664086	QTWWDVWLRNPXTH-SECBINFHSA-N	302.237	3.092	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(C#N)cc2F)c1	182361053	RPUCGTLPABGKMK-NSHDSACASA-N	300.333	3.262	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2ccccc2C#N)c1	182463448	ZLPUTZLGLWPPQY-CYBMUJFWSA-N	312.369	3.002	10	20	DGCD	
Cc1cccc(OC[C@@H](O)CN[C@H](C)c2cc(C)ccc2O)c1	185129483	YXORFANWWOHOKT-CVEARBPZSA-N	315.413	3.100	10	20	DGCD	
C[C@@H](N[C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1O	185445291	GWUJUYTWSHUPNN-ICCXJUOJSA-N	314.223	3.109	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1	238117289	JNVBLHHTVZHDAH-AWEZNQCLSA-N	300.324	3.049	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1ccc([S@](C)=O)cc1	268897388	ZDTQKOQIELWCMB-XMHCIUCPSA-N	315.438	3.210	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@H](C)C1)c1ccc(Br)cc1O	273522850	UQJAPYAGIBGWEF-JFGNBEQYSA-N	314.223	3.373	10	20	DGCD	
C/C=C(\CC)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	276568367	REXRTZMZRSEJPR-TYMUOXQOSA-N	303.402	3.256	10	20	DGCD	
C[C@H](N[C@H](C)COCC(F)(F)F)c1ccc(F)c(F)c1O	277003704	ZRLQQMIEFBPYIM-SFYZADRCSA-N	313.266	3.288	10	20	DGCD	
CCn1nccc1C1CCN(Cc2cccc(F)c2O)CC1	279169828	BQAVYTSFNRTASM-UHFFFAOYSA-N	303.381	3.127	10	20	DGCD	
CC[C@@H](NCC1([S@](C)=O)CCC1)c1ccc(N(C)C)cc1	281104320	QYVQAEZPFCJUNM-IERDGZPVSA-N	308.491	3.095	10	20	DGCD	
CC[C@@H](NC1CCC(C(=O)NC)CC1)c1cccc(Cl)c1O	287895066	ZGCQWYSWUAYLIJ-KOHJWAIASA-N	324.852	3.391	10	20	DGCD	
CC[C@H](N[C@@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1O	367567673	UZJORKSKAPNKGF-RISCZKNCSA-N	305.809	3.367	10	20	DGCD	
CSC1CC(NCc2cccc(Br)c2O)C1	708270845	VYFDSRPRQICZAN-UHFFFAOYSA-N	302.237	3.138	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@H]1CCC[C@@H](C)C1	734406710	ZJPWDYHCOJSDBO-KDOFPFPSSA-N	318.461	3.273	10	20	DGCD	
CCOc1ccc(N(CC)Cc2ccc(C(=O)OC)o2)cc1	746159687	YRZTXIQDXZUQCJ-UHFFFAOYSA-N	303.358	3.491	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)C2CC(F)(F)C2)C2CC2)cc1	753586022	XSFYRVBMIBJPKY-UHFFFAOYSA-N	308.372	3.289	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@@H](O)c2ccccc2)c2c(O)ccc(F)c21	756355691	VKYNRNFUCVPQQD-DIOULYMOSA-N	301.361	3.403	10	20	DGCD	
C[C@@H](NCc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1O	756494000	CMMGJUWSWJLEKW-SECBINFHSA-N	308.284	3.429	10	20	DGCD	
C[C@@H]1C[C@@H](NCCCN2CCCCC2=O)c2c(O)ccc(F)c21	756553599	GYFSNNDIUQZLOE-TZMCWYRMSA-N	320.408	3.072	10	20	DGCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N(C)C2(CCCC2)C1=O	761579900	QLFFIAUYKXAYBB-ZDUSSCGKSA-N	315.417	3.020	10	20	DGCD	
CC(C)(C)Oc1cccc(CNCc2ccc3c(c2)CCO3)n1	767417123	IPAILMXLYFRONE-UHFFFAOYSA-N	312.413	3.484	10	20	DGCD	
C[C@H](CCC1CC1)NC(=O)NCc1ccc(N(C)C)c(F)c1	768971163	ZGGOGPRCOUEYFU-GFCCVEGCSA-N	307.413	3.270	10	20	DGCD	
Cc1ccn2cc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)nc2c1	773010966	UTHVKSIYLUUXMM-CQSZACIVSA-N	322.412	3.200	10	20	DGCD	
Oc1cccc(Cl)c1CNc1ncn(-c2ccccc2)n1	775175639	JZNLOZSOAOZEBK-UHFFFAOYSA-N	300.749	3.238	10	20	DGCD	
CC[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1O	775522678	XNLIHDSFQGZFPA-IAGOWNOFSA-N	316.445	3.367	10	20	DGCD	
C[C@H](CCO)C1(CNCc2cc(Cl)cc(F)c2O)CCC1	776256604	CVRFHIHWMXBKNY-LLVKDONJSA-N	315.816	3.463	10	20	DGCD	
CCOC(=O)N1CCC[C@H]([C@@H](C)N[C@H](C)c2ccccc2O)C1	776864624	MIGNGHHZHWNFTG-KFWWJZLASA-N	320.433	3.300	10	20	DGCD	
CCN(CCc1cccs1)C(=O)/C=C\c1ccc(O)c(O)c1	779502471	ZIQQRGMCYNMPDN-VURMDHGXSA-N	317.410	3.264	10	20	DGCD	
COc1ccc(Cl)c(NC(=O)c2ccc(C)c(O)c2O)c1	780908070	NTHDQSRKWHHAPL-UHFFFAOYSA-N	307.733	3.321	10	20	DGCD	
COc1cc(CN2Cc3ccccc3OC[C@@H]2C)c(O)cc1C	782291370	VDOOMKANCOSYJI-AWEZNQCLSA-N	313.397	3.492	10	20	DGCD	
CCc1c(C(=O)NCc2ccccc2O)cnn1C1CCCC1	789817534	ZNJRQOUMLXNVIA-UHFFFAOYSA-N	313.401	3.196	10	20	DGCD	
O=C(O)C1(NCc2cc(Cl)cc(Cl)c2O)CCCC1	789898546	WXLBZEUKPASUBX-UHFFFAOYSA-N	304.173	3.186	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ccc(C[S@@](C)=O)cc2)c(O)c1	797134658	VJQXCGUMMNGERB-RCDICMHDSA-N	317.454	3.430	10	20	DGCD	
CCc1oc(CN(C)c2ccc(OC)c(F)c2)cc1C(=O)OC	802646526	MGIAUCZBDWIFAH-UHFFFAOYSA-N	321.348	3.413	10	20	DGCD	
Cc1cc(CN2CC(=O)N(C)[C@H]2c2ccccc2)ccc1N(C)C	815100783	UYEYMNAJIQNGNY-HXUWFJFHSA-N	323.440	3.034	10	20	DGCD	
CN(CC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1O	816499186	IIVRHOWAJIWLPK-UHFFFAOYSA-N	301.386	3.319	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCN(C2CC2)C1	824445614	HNYDUCDEDMTPQX-NSHDSACASA-N	312.816	3.101	10	20	DGCD	
Cc1cc(C)n([C@@H](C)CC(=O)N[C@H](C)c2ccccc2O)n1	827930393	JEBWVANKROJQFJ-UONOGXRCSA-N	301.390	3.034	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836763467	WGWHUASLAGKRHG-ZMSDIMECSA-N	303.402	3.088	10	20	DGCD	
C[C@@H](NCCCN1CCCCC1=O)c1ccc(Cl)cc1O	841763957	OPIMBRVHHTZHKJ-GFCCVEGCSA-N	310.825	3.099	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccccc2[N+](=O)[O-])c1O	846146241	LTPXHLPMYDWEML-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](CO)C2CCCCC2)c1O	846171726	VXGPXIZRQJQSBK-DZGCQCFKSA-N	307.434	3.240	10	20	DGCD	
CC(C)[C@H](C)NC(=O)CN(C)c1ccc(-c2nccs2)cc1	846991366	JPRTUZHYCDNXDY-ZDUSSCGKSA-N	317.458	3.407	10	20	DGCD	
CN(CCOC[C@@H]1CCCO1)c1ccc(-c2nccs2)cc1	846992713	LZGIFQMQZMKSBG-INIZCTEOSA-N	318.442	3.442	10	20	DGCD	
CCc1cccc(CNc2ccc(CC(=O)N(C)C)cc2)c1O	848892020	IOTUQLSAMYJJHI-UHFFFAOYSA-N	312.413	3.197	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1COC(C)(C)O1	851716496	NKWWIZNMCUEQRB-GOSISDBHSA-N	318.461	3.260	10	20	DGCD	
CN(C)c1c(CNCc2ccc3c(c2)CCO3)ccc(F)c1F	858121012	RNIJOSMANVIVDG-UHFFFAOYSA-N	318.367	3.256	10	20	DGCD	
COCCc1ccccc1NC(=O)NCc1cc(C)ccc1O	860994297	MKTCQSNXFIHQIS-UHFFFAOYSA-N	314.385	3.211	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H](N3CCCC3)C2)cc1F	862227610	FAWQSWRZVJYOPQ-OAHLLOKOSA-N	323.431	3.091	10	20	DGCD	
Cc1cccc(O)c1CNCCCC(=O)N1Cc2ccccc2C1	877045965	HIWHCROVDHOAQI-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
OC1CCN(c2ccc(CNc3ccc4c(c3)CCO4)cc2)CC1	877045992	IFWMOGVMRZWROQ-UHFFFAOYSA-N	324.424	3.195	10	20	DGCD	
OC1CCN(c2ccc(CN3CC(C4CCCC4)C3)cc2)CC1	877581398	AWEPWIABTOGXLQ-UHFFFAOYSA-N	314.473	3.270	10	20	DGCD	
COCC[C@H](Cc1ccco1)NCc1cc(F)cc(F)c1O	883086511	XPLQTQBYSXVKOC-CYBMUJFWSA-N	311.328	3.001	10	20	DGCD	
COc1ccc(CN[C@H]2CCCc3occc32)c(O)c1OC	892552189	SODSAHSEFYWACA-ZDUSSCGKSA-N	303.358	3.170	10	20	DGCD	
CCOc1ccc(CNCc2c(C)nc3ccccn23)c(O)c1	898276791	SRGNMKRGIGNRJN-UHFFFAOYSA-N	311.385	3.037	10	20	DGCD	
COc1ccnc([C@H](C)NCCCSc2nccs2)c1	925104416	ZAPPGSCKHLBYBL-NSHDSACASA-N	309.460	3.380	10	20	DGCD	
CC(C)[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1cnn(C)c1	927071778	UQERARPRBCVEBL-BZNIZROVSA-N	318.377	3.082	10	20	DGCD	
O=C(NCc1ccccc1O)NCC1C2CC3CC(C2)CC1C3	928997165	FWWPACCUBVCWRM-UHFFFAOYSA-N	314.429	3.264	10	20	DGCD	
CNC(=O)c1cccc(CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)c1	1116585213	UBIHOUAWDWPURT-BBRMVZONSA-N	324.424	3.398	10	20	DGCD	
C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1	1319705207	GOJOLVMCFUEADB-MRXNPFEDSA-N	319.468	3.200	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCO[C@H]1CCOC1	1320247330	QLKMGXGRZOPEJQ-ILXRZTDVSA-N	305.418	3.034	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21	1323829803	MXEHTCTUKBVMCP-QWHCGFSZSA-N	304.434	3.001	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C[C@H]1CCNc2ccccc21	1343165177	WNCUHXNBRULLLP-CQSZACIVSA-N	310.397	3.340	10	20	DGCD	
C[C@H](N[C@H](C)c1ncc(C(=O)O)s1)c1cc(F)ccc1O	1593198720	UVHRBLDPVJEQPU-JGVFFNPUSA-N	310.350	3.098	10	20	DGCD	
Cc1ccc(CN[C@@H](C(=O)O)c2ccc(F)c(C)c2)c(O)c1	1607783351	ZNBGYIOXYNPPMV-MRXNPFEDSA-N	303.333	3.064	10	20	DGCD	
CCC[C@H](CC(=O)O)NCc1cc(Cl)cc(Cl)c1O	1776828864	JXMRTJRBCBUNDS-SNVBAGLBSA-N	306.189	3.432	10	20	DGCD	
COc1ccc(N(CCn2c(C)csc2=O)C(C)C)cc1F	101567392	CDEDNIIHQFMWJM-UHFFFAOYSA-N	324.421	3.281	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)CC(C)(C)C)CC2)cc1	55877580	FGWFVKZIVBJUQK-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2cccc(F)c2)c1	114543534	DFHVTNDCVANUSY-LBPRGKRZSA-N	317.360	3.035	10	20	DGCD	
COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)c(OC)c1	188709184	KXLCEVSUAQYNLE-UHFFFAOYSA-N	314.385	3.160	10	20	DGCD	
CCN(CC)[C@@H](CNCc1ccc2c(c1)CCO2)c1ccco1	67506088	QICJEZOPWYBCOT-KRWDZBQOSA-N	314.429	3.387	10	20	DGCD	
C[C@@H](NCCN1CCc2sccc2C1)c1ccccc1O	183439200	JDOJCDOZXHMCAU-CYBMUJFWSA-N	302.443	3.163	10	20	DGCD	
Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N(C)C)c(F)c1	301164145	BOQUEMBPQDGFBO-UHFFFAOYSA-N	304.325	3.115	10	20	DGCD	
C[C@H](NCc1ccnc(N2CCCC2)c1)c1cc(F)ccc1O	184973678	FBZVCIVSFVHPIN-ZDUSSCGKSA-N	315.392	3.377	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)CCCOC)cc1	182522610	PATDLWANGPRDKE-HNNXBMFYSA-N	306.450	3.212	10	20	DGCD	
CC[C@H](C)[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	182370208	UMRLELCZKKBZPK-LSDHHAIUSA-N	304.434	3.026	10	20	DGCD	
Cc1noc(C)c1CN(Cc1ccccc1O)C[C@H]1CCCO1	70975948	VHFHHIVDCDEVJA-MRXNPFEDSA-N	316.401	3.178	10	20	DGCD	
CCC[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	183569782	WHVXZFUHZJQHTL-GJZGRUSLSA-N	322.424	3.103	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H](CO)Cc2ccccc2)cc1	130365009	VXWKNUJAXBEHHC-LPHOPBHVSA-N	312.457	3.397	10	20	DGCD	
CCN(CC(C)(C)O)C(=O)c1sccc1-n1c(C)ccc1C	81970652	WHVKYLPYSXQWIK-UHFFFAOYSA-N	320.458	3.389	10	20	DGCD	
CC(C)Oc1cccc(CN(C)C(=O)c2cccc(O)c2O)c1	193147955	SQCGHHFBQMALJQ-UHFFFAOYSA-N	315.369	3.157	10	20	DGCD	
CC[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N(C)C)cc1	271585201	XLBRLIFFENRVPS-KBPBESRZSA-N	304.356	3.107	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]3CCC[C@H]32)c1O	278240744	NUADWDQMXDEXNV-DGCLKSJQSA-N	306.362	3.074	10	20	DGCD	
Cc1ccc(O)c(CN(C)Cc2nccn2CC(F)(F)F)c1	271181592	ZOOXWGUMLTXXMO-UHFFFAOYSA-N	313.323	3.091	10	20	DGCD	
CN1CCC2(CCCN(Cc3cccc(Cl)c3O)C2)CC1	375998236	FSGWSRIYDHVWIZ-UHFFFAOYSA-N	308.853	3.353	10	20	DGCD	
Cc1ccnc(C)c1NC(=O)NCc1ccc2c(c1)CCCN2C	287612585	SVLZRYMHROWKRW-UHFFFAOYSA-N	324.428	3.403	10	20	DGCD	
CC[C@H](CO)N(C)Cc1ccc(OCc2ccccc2)cc1O	295170909	UGCFUPDAWOCLHS-QGZVFWFLSA-N	315.413	3.174	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1cccs1	808095870	WLTDHWRZKRDNHC-UHFFFAOYSA-N	310.415	3.188	10	20	DGCD	
C[C@H](CC(C)(C)O)N[C@H](C)c1ccc(Br)cc1O	296552926	RQJVQXOIYLXGBO-NXEZZACHSA-N	316.239	3.355	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@@H](C2CCCC2)C2CC2)cc1	817940873	LTNCDPAEQNGLAX-OALUTQOASA-N	301.478	3.311	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](N3CCCC3)[C@@H]2C)cc1	815118166	LALUBYPZQTYZKZ-QFBILLFUSA-N	301.478	3.201	10	20	DGCD	
CCc1nc(Cl)c(C)c(NCCc2ccc(O)c(O)c2)n1	811811531	WZINJBVAYZGAFY-UHFFFAOYSA-N	307.781	3.067	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c(C)n1	817941137	JDWNRLQWZKQWGG-AUUYWEPGSA-N	312.461	3.115	10	20	DGCD	
Cc1cccc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)c1C	816788739	TWBAFHZHTJPIMX-NTMALXAHSA-N	311.381	3.386	10	20	DGCD	
CC(C)C[C@@H](CCO)CNCc1cc(Cl)c(F)cc1O	816554419	YCTWIAKAEXIDLZ-LLVKDONJSA-N	303.805	3.319	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC[C@@H]3CC=CCC3)C2)cc1	818221779	SZSOWYAIBQTKKT-IAGOWNOFSA-N	300.446	3.467	10	20	DGCD	
CC[C@H](CCO)CN[C@H](C)c1cccc(C(F)(F)F)c1O	815587446	JWNPCQSVCALHQA-GHMZBOCLSA-N	305.340	3.470	10	20	DGCD	
CN(CC[C@@H]1CCCCN1C)Cc1cc(Cl)c(F)cc1O	816514710	FTKPBAINXSRUMO-ZDUSSCGKSA-N	314.832	3.491	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(F)F)c(O)c1O	817226041	ZHGLRQLPGXQTKT-LBPRGKRZSA-N	307.296	3.142	10	20	DGCD	
CO[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)CC1(C)C	824820211	BNQCTBSUTDALPC-CYBMUJFWSA-N	301.789	3.432	10	20	DGCD	
Cc1cccc(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1	726756024	UGKPFBGEJOYHIY-UHFFFAOYSA-N	300.377	3.059	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(F)cc2F)c1	728983584	BOTGJTJPDDBJBD-SECBINFHSA-N	307.296	3.170	10	20	DGCD	
C/C(=C/C(=O)N1CC[C@H](C)c2cccc(O)c21)c1cnccn1	829521096	MASYAOZQVVPCAS-IXJPEXDMSA-N	309.369	3.126	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@@H](C)[S@]1=O	825886830	QQVPFVHTYVVBCR-JNHSQIPHSA-N	315.866	3.085	10	20	DGCD	
Cc1ccc(O)c(CNCc2ccc(C(=O)N3CCCC3)cc2)c1	733322680	RPWRKJXXCMGLBC-UHFFFAOYSA-N	324.424	3.226	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCC[C@@H]2COC[C@@H]21	839187420	IIGRGJVQYIMZKV-MJGOQNOKSA-N	300.446	3.288	10	20	DGCD	
CCN(C(=O)/C=C/c1cccnc1)c1ccc(OC)c(OC)c1	490854162	BWHGVFFFIZXDSS-JXMROGBWSA-N	312.369	3.165	10	20	DGCD	
C/C(=C\C(=O)N1CCCc2c(F)ccc(C)c21)c1cnccn1	839282563	LPNLLSXDHFMGGP-JLHYYAGUSA-N	311.360	3.307	10	20	DGCD	
CCC[C@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1	733132437	MUYMZYLTUMLOMY-AWEZNQCLSA-N	306.475	3.292	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccsc1C(=O)O	830831192	TYTCSMKWQQJHJP-UHFFFAOYSA-N	304.415	3.144	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCO[C@H](C(F)(F)F)C1	739876185	YJOFDGFFFIQHAI-HNNXBMFYSA-N	311.303	3.309	10	20	DGCD	
COc1ccc(N(C)CCOc2cccc(C(=O)O)c2)cc1F	832378166	GDLYCNBNUKDLLV-UHFFFAOYSA-N	319.332	3.048	10	20	DGCD	
CCC(C)(C)OCCNC1CCN(c2ccc(OC)cc2)CC1	834915651	SSNJOKBKDIJNNP-UHFFFAOYSA-N	320.477	3.459	10	20	DGCD	
CC(C)(C)[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841960219	YGBUDLNMVRNIRE-HNNXBMFYSA-N	303.450	3.279	10	20	DGCD	
CCN(C)c1ccc(CN(CC(=O)O)C2CCCCC2)cc1	846272588	JRULAEAZEYHHPP-UHFFFAOYSA-N	304.434	3.362	10	20	DGCD	
CCCCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C1(C)C	841299529	IJDUNLVHJGDMMC-HUUCEWRRSA-N	305.422	3.374	10	20	DGCD	
CC[C@@H](CNC(=O)c1cc(O)cs1)Oc1cccc(F)c1	753340456	BZVIGXOFVAVSHG-LBPRGKRZSA-N	309.362	3.180	10	20	DGCD	
CCn1nncc1CN[C@H](C)c1ccc(N2CCCCC2)cc1	858440469	VTCRFPRJGRURNJ-OAHLLOKOSA-N	313.449	3.139	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H](C(=O)O)c3ccccc32)cc1	851706361	LECWXZWJQJLYJT-QGZVFWFLSA-N	310.397	3.331	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CO)c2ccc(F)cc2F)cc1	852714025	VEVSOFXDQQSULZ-SFHVURJKSA-N	320.383	3.244	10	20	DGCD	
Oc1ccccc1CN(Cc1cccc(F)n1)C[C@@H]1CCCO1	851840133	ACEXYSFHCVSHDP-INIZCTEOSA-N	316.376	3.108	10	20	DGCD	
CC[C@](C)(NC(=O)NCc1ccc(N(C)C)cc1)C(F)(F)F	933544002	LCSYLZRRDQWURG-AWEZNQCLSA-N	317.355	3.283	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCN(CC)CC2)c(F)c1)C1CC1	765849727	PEHCEDJOVGTEJW-GOSISDBHSA-N	319.468	3.246	10	20	DGCD	
Cc1ccc(CN(C)Cc2cc(F)c(N(C)C)cc2F)nc1	862339759	GOPAIMHEVDECBE-UHFFFAOYSA-N	305.372	3.366	10	20	DGCD	
C[C@@H](NC(=O)N(C)Cc1cccnc1)c1ccc(N(C)C)cc1	773621441	YVUKMOOOLFZJAC-CQSZACIVSA-N	312.417	3.050	10	20	DGCD	
COC1(C)CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1	774640555	UVSFMULGRYUJHU-UHFFFAOYSA-N	307.434	3.396	10	20	DGCD	
C[C@@H](NC(=O)/C=C\c1nccs1)c1ccc(N(C)C)cc1	1123737360	AYDWFVLRJAZCRK-JLVNDZCYSA-N	301.415	3.100	10	20	DGCD	
CC[C@H](N[C@@H](CCO)C(F)(F)F)c1cccc(Cl)c1O	886804440	XZKACGFODWOSLS-QWRGUYRKSA-N	311.731	3.400	10	20	DGCD	
C[C@H](NC(=O)NC1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1	773428301	LMAQTHDGZMZYLX-MCIONIFRSA-N	319.449	3.069	10	20	DGCD	
Clc1cncc(NCc2ccc(N3CCOCC3)cc2)c1	895887092	YIXPORQUHZMHCB-UHFFFAOYSA-N	303.793	3.184	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1C[C@H]2CC[C@@H](O)[C@H]2C1	895785632	YIFKMGZAVMMGKO-IMFGXOCKSA-N	309.409	3.262	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)[C@H]3CCCOC3)CC2)cc1	780726143	XDWHOAOAQYPEMZ-CVEARBPZSA-N	318.461	3.069	10	20	DGCD	
Cc1ccoc1CNC[C@H](c1ccc(N(C)C)cc1)N(C)C	898449658	IPVOFTOKXPFPLU-QGZVFWFLSA-N	301.434	3.047	10	20	DGCD	
COc1cc(C)cc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1O	894993313	JCBQXVKQFMAFCO-IAGOWNOFSA-N	313.397	3.017	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](CCO)Cc2ccccc2)c1	799732428	YOETUJGNJQBMAD-GOEBONIOSA-N	315.413	3.045	10	20	DGCD	
CCn1ccc(CN(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	790781118	XCLHNDZEXNROOH-UHFFFAOYSA-N	319.361	3.070	10	20	DGCD	
COc1csc(C(=O)Nc2c(Cl)ccc3nonc23)c1	1261140288	NNYPGEWJYBBWRA-UHFFFAOYSA-N	309.734	3.199	10	20	DGCD	
COc1ccccc1NC(=S)NCCN(C)c1ccccc1	16704915	QLKMMUFRFPFKCR-UHFFFAOYSA-N	315.442	3.118	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C(=O)O)c2cccs2)cc1Cl	1600286820	WUZUZTMPFSBRIT-CYBMUJFWSA-N	311.790	3.331	10	20	DGCD	
C[C@H](NCc1ccc2ccccc2n1)c1cc(C(=O)O)ccc1O	1604347015	XGAPGWGTIDFSCD-LBPRGKRZSA-N	322.364	3.489	10	20	DGCD	
O=C(O)[C@H]1CCN(Cc2cc(F)c(F)cc2O)c2ccccc21	1594933669	FAVFJGAGRRWUKL-LBPRGKRZSA-N	319.307	3.249	10	20	DGCD	
CCN(C)c1ccc(CN2[C@@H](C)[C@H](C(=O)O)CC[C@H]2C)cc1	1776855600	OREDHMOYMSJQCG-JKIFEVAISA-N	304.434	3.216	10	20	DGCD	
COc1ccc(N(C)CCc2ccccc2C(=O)O)cc1F	1777366857	TUWMQWICWIHALV-UHFFFAOYSA-N	303.333	3.211	10	20	DGCD	
Cc1cc(/C=C2\SC(=S)NC2=O)cc(C)c1OC(F)F	7155222	PEJAQBXSGOJLFQ-UITAMQMPSA-N	315.366	3.394	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1Cl	151874375	XDXAAEVPYNXMHF-UHFFFAOYSA-N	311.790	3.463	10	20	DGCD	
Cc1ccc(CNC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1	877731447	XIJIIVUQLLQYHP-OTVXOJSOSA-N	320.433	3.094	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC1CCCCC1	44915634	MOBSFETXMATEES-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC1	81203137	WRVQWEROMRTQCZ-ZDUSSCGKSA-N	324.371	3.173	10	20	DGCD	
CCCOc1ccc(CN(C)C2CCN(CCC)CC2)c(O)c1	92165735	PECVGKQVORKVNT-UHFFFAOYSA-N	320.477	3.487	10	20	DGCD	
CCCN(Cc1cnc(N(C)C)s1)Cc1ccccc1O	92705012	LVWNYEWXBBGXOH-UHFFFAOYSA-N	305.447	3.327	10	20	DGCD	
Oc1c(Br)cccc1CN(CC(F)F)C1CC1	93276663	DUGROXYUQRLOAF-UHFFFAOYSA-N	306.150	3.384	10	20	DGCD	
COC(=O)CCN(Cc1c(O)ccc2ccccc12)C(C)C	112959201	BLHAPGWRMYHPGY-UHFFFAOYSA-N	301.386	3.319	10	20	DGCD	
Cc1ccc(O)c(CNCCCC(=O)N2CCc3ccccc32)c1	113341786	YIOLLYZEJGLBOH-UHFFFAOYSA-N	324.424	3.160	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCn2ccc3ccccc32)c1	114543702	HDMNYIQVPARJJP-UHFFFAOYSA-N	324.380	3.062	10	20	DGCD	
C[C@@H](c1ccco1)N(C)Cc1ccc(N2CCOCC2)c(F)c1	131083458	LXDHGCUZMSQONV-AWEZNQCLSA-N	318.392	3.448	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCc2c(C)cccc2C)c1	140595171	UVRIJLBGHCLHOM-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
COc1ccc(N2CCC(NCCc3ccccc3)CC2)cc1	153036530	PWKAHPYPQKGXCT-UHFFFAOYSA-N	310.441	3.496	10	20	DGCD	
COc1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1O	155181690	BAFKNCAAUMSJGW-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCc1c(C)n[nH]c1C	170732033	BHEQGGXFCRIVKP-UHFFFAOYSA-N	315.417	3.104	10	20	DGCD	
CCCN(CC(=O)N(C)C1CCCCC1)Cc1ccccc1O	174375347	FIVSMVVHTQLDHQ-UHFFFAOYSA-N	318.461	3.395	10	20	DGCD	
C[C@@H](NCC1(C)OCCO1)c1ccc(N2CCCCC2)c(F)c1	179571772	XIZXFUCNPGUVHG-CQSZACIVSA-N	322.424	3.230	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1C1CCCC1	180689166	KWOWRFDFHDNWRK-HQPKTYMTSA-N	301.386	3.292	10	20	DGCD	
CCCn1cc(C(=O)NCc2ccc(N(CC)CC)cc2)cn1	180732899	IIJZFOJPIUZDAY-UHFFFAOYSA-N	314.433	3.069	10	20	DGCD	
C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	183513674	HQESWEFCHRXNRH-UONOGXRCSA-N	320.433	3.442	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@H](C)c2cc(F)ccc2O)c1	185177730	KURPUGOVVSJWJP-GFCCVEGCSA-N	316.376	3.132	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC2CCN(C3CCCC3)CC2)c1	185648984	JACKRSQHVOGQIU-AWEZNQCLSA-N	318.461	3.458	10	20	DGCD	
CC(C)[C@]1(C)C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	186200411	ZRNUNENGKJJBTP-KSSFIOAISA-N	302.418	3.160	10	20	DGCD	
C[C@@H](C[S@](C)=O)N[C@@H](C)c1cc(Cl)c(Cl)cc1O	193280324	ALSFMWDXLWIRHL-KEJSXXJDSA-N	310.246	3.117	10	20	DGCD	
Cc1ccc(O)c(CNCC[C@H](C)NC(=O)OC(C)(C)C)c1	226647910	JLJOLUGTMDAFPN-ZDUSSCGKSA-N	308.422	3.094	10	20	DGCD	
C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)Cc1ccccc1O	245809135	NQPNQRHRBYQKHV-AIANPOQGSA-N	318.461	3.153	10	20	DGCD	
Cc1ccc([C@@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c(O)c1	273460550	ICGWDFITQLYFPQ-CYBMUJFWSA-N	319.426	3.418	10	20	DGCD	
C[C@@H](NCc1ccccc1N(C)C)c1cc([N+](=O)[O-])ccc1O	273469394	JIVPSPRVZCRBKP-GFCCVEGCSA-N	315.373	3.217	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(-n3cncn3)cc2)c(O)c1C	273570616	KNELLEVKZBJYNB-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
COCc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1O	278949202	ZFQJNPGFFNBNDL-UHFFFAOYSA-N	318.329	3.068	10	20	DGCD	
C[C@H]1Oc2ccccc2[C@H]1NC(=O)N(C)Cc1ccccc1O	291761955	HXRCEOVENGLILY-PXAZEXFGSA-N	312.369	3.056	10	20	DGCD	
CCN(CC)c1ccc(CNCc2nnc(C(C)C)[nH]2)cc1	294694780	CQDCLFFDJIQMLI-UHFFFAOYSA-N	301.438	3.064	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@H]1CCN(Cc3ccccc3)C1)CC2	295867356	GYAXHPNXZIROKE-ZWKOTPCHSA-N	308.425	3.244	10	20	DGCD	
CCCC[C@H](CC)C(=O)NCc1ccc(N2CCOCC2)cc1	299137333	NNOXYGXZNVSVNP-KRWDZBQOSA-N	318.461	3.356	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(F)c(F)c(F)c2)cc1	316358050	GCCONLUNQJOVDA-UHFFFAOYSA-N	308.303	3.100	10	20	DGCD	
Oc1ccccc1CN1CCC(O)(Cc2ccccc2F)CC1	369667131	YOFWRRATGDFKMD-UHFFFAOYSA-N	315.388	3.101	10	20	DGCD	
Oc1c(F)cc(Br)cc1CNC[C@H]1CCC=CO1	715712141	IZJCHDARMRXTBJ-LLVKDONJSA-N	316.170	3.076	10	20	DGCD	
COc1ccccc1N1CCC(NCc2ccccc2O)CC1	725850012	CPUITDFKORRZOX-UHFFFAOYSA-N	312.413	3.159	10	20	DGCD	
CC[C@@H](C)NC(=S)NCc1ccc(N(CC)CC)c(F)c1	731320759	XQSWJYHDVMRKNG-GFCCVEGCSA-N	311.470	3.435	10	20	DGCD	
CCc1cccc(NC(=O)CNCc2ccc(OC)c(C)c2)c1	732230921	WEWWZVQDHSOTRJ-UHFFFAOYSA-N	312.413	3.294	10	20	DGCD	
C/C(=C\C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)(C)C	742951935	BMZOVGTUYYUXSK-ACCUITESSA-N	302.418	3.470	10	20	DGCD	
O=C(NCc1ccccc1O)[C@H]1C[C@@H]1c1cccc(F)c1F	743328806	VPUMGGMPOSLVIV-OLZOCXBDSA-N	303.308	3.090	10	20	DGCD	
C[C@@H](NCCOC[C@@H]1CCOC1)c1ccc2ccccc2c1O	756562082	FTZAGCLPUXMWPZ-HUUCEWRRSA-N	315.413	3.249	10	20	DGCD	
Cc1cccc2c1CN(C(=O)/C=C\c1ccc(O)c(O)c1)CC2	760671128	YDQKNJRDEOFVLC-VURMDHGXSA-N	309.365	3.004	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1sccc1C1CC1	762261366	KEVVHDIRPHLWBB-UHFFFAOYSA-N	303.383	3.009	10	20	DGCD	
CON(C(=O)c1cc(O)cs1)[C@@H]1CCCOc2ccccc21	764673976	UZWBDEPBGMRWKQ-CYBMUJFWSA-N	319.382	3.371	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@@H](C)c1ccc(N(C)CC)cc1	764944393	KAXORARBRNYERM-INIZCTEOSA-N	319.493	3.442	10	20	DGCD	
CCOc1ccc(CN(C)Cc2c(O)cccc2OC)cc1	768162876	KZGMMURTGMEPCH-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
CCOc1ccc(CNc2ccc(C(=O)N(C)C)cc2)c(O)c1	775183420	XMUHRXHZQHOQRN-UHFFFAOYSA-N	314.385	3.105	10	20	DGCD	
C[C@H]1CN(C)[C@H](C)CN1Cc1cc(Cl)cc(Cl)c1O	775987674	VZQRUYNTGBPJGI-ZJUUUORDSA-N	303.233	3.223	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1coc(C2CC2)n1	777231077	HKKPPFNEJHALRQ-UHFFFAOYSA-N	311.385	3.082	10	20	DGCD	
C[C@H](NCc1ncc(CN(C)C)s1)c1ccc(N(C)C)cc1	796351076	DUXCMCRKKYHGIO-ZDUSSCGKSA-N	318.490	3.122	10	20	DGCD	
C[C@H]1CCC[C@H]1CNCc1ccc(N2CCOCC2)c(F)c1	798503542	MINONYPEJQAYMC-HOCLYGCPSA-N	306.425	3.188	10	20	DGCD	
Cc1cc(C(=O)N2Cc3ccncc3C2)c(C)n1-c1ccccn1	808101678	KJRSEYSAUUEONC-UHFFFAOYSA-N	318.380	3.040	10	20	DGCD	
C[C@H](O)c1ncc(CN[C@@H](C)c2ccc(N(C)C)cc2)s1	809642269	FVCRLENKERCOFV-RYUDHWBXSA-N	305.447	3.113	10	20	DGCD	
CSC1(CN[C@H](C)c2cc(F)ccc2O)CCN(C)CC1	810252050	HBALBVOBXKTMCY-GFCCVEGCSA-N	312.454	3.009	10	20	DGCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1F	817938253	HMQFERYQQXLXLG-KZULUSFZSA-N	319.399	3.381	10	20	DGCD	
Cc1cc(F)c(CC(=O)NCc2ccc(N(C)C)cc2)cc1F	822227173	YGQWEHWKDMQVGC-UHFFFAOYSA-N	318.367	3.198	10	20	DGCD	
CCC[C@H](OC)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	822653133	ZKASFZNCAJMSCC-KRWDZBQOSA-N	306.450	3.305	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](O)c2ccccc2F)cc1Cl	825131098	KBRQPSCZVMDEDO-MRXNPFEDSA-N	309.768	3.316	10	20	DGCD	
Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](C)c1ccccc1O)C2	827937579	ZKGMZCQWAOOJMW-FZKQIMNGSA-N	311.381	3.190	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@H]2CCCOC2)c1O	828893378	JVQRJPQCOSMDOO-SUMWQHHRSA-N	321.392	3.125	10	20	DGCD	
CCC(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1	832058937	GPTXCPNSCAPHTM-UHFFFAOYSA-N	316.184	3.075	10	20	DGCD	
COc1cccc(CNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)c1O	837483414	ACPYODXXKXPPSQ-SGTLLEGYSA-N	305.418	3.479	10	20	DGCD	
CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)C)cc1C	840920133	CHNIYGSNYQGMDN-MJGOQNOKSA-N	301.478	3.120	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@H](CC(=O)O)C2)cc1F	840995767	TZVNTGMRVLJLIT-CQSZACIVSA-N	322.424	3.359	10	20	DGCD	
CCCN(Cc1ccnn1CC(C)C)c1ccc(CN)cc1	843407382	YIOXESNZGHZCOP-UHFFFAOYSA-N	300.450	3.414	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@H]2[C@H]2CCCOC2)c1	843417151	PWXLXBHBKWIXPH-YOEHRIQHSA-N	305.418	3.182	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1	845832303	BXLCUKKSQKQZMW-RSUWNVLCSA-N	301.386	3.180	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](C)c2c(C)noc2C)c1O	846158159	UEOLTCAMNOIGOM-GHMZBOCLSA-N	304.390	3.460	10	20	DGCD	
CCc1cccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1O	848898610	FLDRIXRGRKSTJO-KBAYOESNSA-N	301.430	3.392	10	20	DGCD	
CC[C@H](C)NC(=N)NCc1ccc(N2CCC(C)CC2)cc1	849006495	LNYJFRCMVUWGCG-HNNXBMFYSA-N	302.466	3.335	10	20	DGCD	
COCC1(NCc2cc(Br)ccc2O)CCCC1	850344973	DKLYNBHKOOVNKB-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1O	853241019	RRVLWYWWCOLOOO-ZFWWWQNUSA-N	306.425	3.304	10	20	DGCD	
CN(C)c1cc(F)c(CNCC(C)(C)OCC2CC2)cc1F	858177859	HKAFGFBMZMXJRJ-UHFFFAOYSA-N	312.404	3.326	10	20	DGCD	
CO[C@H]1C[C@H](N[C@H](C)c2cc(Br)cc(F)c2O)C1	858584292	PIRFYVHPSTWNBJ-SZEHBUNVSA-N	318.186	3.122	10	20	DGCD	
CCCn1ncc(C(=O)NCc2cc(C)ccc2O)c1C1CC1	862758384	WXMCPNBUGOBZRN-UHFFFAOYSA-N	313.401	3.115	10	20	DGCD	
CCOc1cccc(CN[C@@H](CC)[C@H](O)c2ccccc2)c1O	873193812	ONIRJUYPATVGIR-FUHWJXTLSA-N	315.413	3.393	10	20	DGCD	
OC1CCN(c2ccc(CN3CCCC4(CC4)C3)cc2)CC1	877405790	MYBOYLHKIVJJST-UHFFFAOYSA-N	300.446	3.024	10	20	DGCD	
Cc1cc(NCc2cc(F)cc(F)c2O)nn1CC(F)(F)F	883147390	TZZQVADKASKZBU-UHFFFAOYSA-N	321.249	3.350	10	20	DGCD	
C[C@@H](NCc1ccnc(OC(F)F)c1)c1c(O)cccc1F	886607665	WFBHZDJGJXTPDO-SECBINFHSA-N	312.291	3.379	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc(C(=O)O)s1	903669725	IPVNJDKBRPMZLH-UHFFFAOYSA-N	304.415	3.144	10	20	DGCD	
c1cc2c(cc1CNC[C@@H]1CCCN(CC3CC3)C1)CCCO2	922268369	FCNKFSIOFDZRMF-SFHVURJKSA-N	314.473	3.223	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCc1nc3c(s1)CCC3)CC2	926928762	GJBIWUSTMQMVEB-ZDUSSCGKSA-N	300.427	3.157	10	20	DGCD	
C[C@H](NCCCC(F)F)c1ccc(N2CCOCC2)c(F)c1	1119606711	RENUXTWQJLFFFI-LBPRGKRZSA-N	316.367	3.358	10	20	DGCD	
Cc1cccc(C(C)(C)CNC(=O)NCc2ccc(N)cc2)c1	1120496141	XFDKBWSWXYIFRC-UHFFFAOYSA-N	311.429	3.354	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2cccn2C2CC2)cc1	1325118664	XHJSUSKQYZVXOA-UHFFFAOYSA-N	313.445	3.400	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1	1327999731	HNDROYLGIVZYSM-RCCFBDPRSA-N	302.462	3.436	10	20	DGCD	
COc1cc(CN[C@H]2CC[C@@H](OC)C2)c(O)c(C(C)(C)C)c1	1333306564	DOVVWOGLXCLMIK-UONOGXRCSA-N	307.434	3.355	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@H]1c1ccccc1	1347234919	RXEOMUFWMXYMRX-JKSUJKDBSA-N	311.381	3.298	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(/C=C/C(=O)O)o2)cc1F	1599583783	AVKNAOZVCMRKPF-SOFGYWHQSA-N	305.305	3.162	10	20	DGCD	
COc1ccc(N2CCCN(Cc3ncccc3C)CC2)cc1	93159615	WVFBOZLAZIJILP-UHFFFAOYSA-N	311.429	3.111	10	20	DGCD	
Oc1ccccc1CNCCOc1ccc(Br)cc1	105461899	IUBMBBXIGYYRJD-UHFFFAOYSA-N	322.202	3.323	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](C)Cc2cccc(F)c2)c1O	105651002	AVVIRZNFEGAYSI-LBPRGKRZSA-N	317.360	3.035	10	20	DGCD	
CC[C@@H](CC1CCCC1)C(=O)NCCc1ccc(O)c(O)c1	122285594	RVBJHDFFNYKVSP-HNNXBMFYSA-N	305.418	3.363	10	20	DGCD	
C[C@H](NC(=O)C1=CCCCC1)c1ccc(N2CCOCC2)cc1	126862188	UJUGBVIRFROIGA-HNNXBMFYSA-N	314.429	3.201	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@@]4(CCOC4)C3)c2c1	151254761	ZJHDPKXXHAXSIT-LJQANCHMSA-N	313.397	3.166	10	20	DGCD	
COc1cccc(CN[C@H](CC(C)C)C(=O)OC(C)(C)C)c1O	152102509	GHGYSAKHJCVQCI-CQSZACIVSA-N	323.433	3.247	10	20	DGCD	
CCC(C)(CC)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	159242805	GEHMRNLMKMPFOO-UHFFFAOYSA-N	322.424	3.309	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1nnc(C)n1CCC	159983444	ACGRHMHPMFVTOA-UHFFFAOYSA-N	302.422	3.114	10	20	DGCD	
CC1(C)C[C@@H](NCc2cccc(Br)c2O)CCO1	160515985	AMNLFGXXRQLOJI-NSHDSACASA-N	314.223	3.202	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cn3c(C)cccc3n2)c1	182410897	DEPSENVSCAPIHJ-ZDUSSCGKSA-N	311.385	3.208	10	20	DGCD	
C[C@@H](NCc1ccccc1CN1CCCC1=O)c1ccccc1O	183409676	QGJIRGVNOFOJNI-OAHLLOKOSA-N	324.424	3.365	10	20	DGCD	
C[C@H](NCC1CCN(c2ccncc2)CC1)c1ccccc1O	183591027	AKVKYNWCZCZSPW-HNNXBMFYSA-N	311.429	3.354	10	20	DGCD	
COc1cc(NCCN[C@H](C)c2ccccc2O)cc(OC)c1	183626115	VHUUJFCPWWKZAN-CYBMUJFWSA-N	316.401	3.172	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCC(=O)Nc2ccccc2)c1	185443442	CSCQZFRRENBZMA-ZDUSSCGKSA-N	314.385	3.080	10	20	DGCD	
CCN(CC)[C@@H](CNCc1cccc(OC)c1O)c1ccco1	236849231	IPNCUPIGKDFUHU-HNNXBMFYSA-N	318.417	3.167	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1	270090839	KRGGLWZNOGDDFQ-ASSNKEHSSA-N	303.427	3.289	10	20	DGCD	
C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cc(Cl)cc(Cl)c1O	271178501	GVASOJDBZQWYPQ-IXGDSRDXSA-N	322.257	3.040	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)c1	273343748	AFIGOOHEDGDIKT-GHMZBOCLSA-N	304.394	3.054	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)Cc2cccs2)c1O	278917742	UKSDULNMNGNLFF-SNVBAGLBSA-N	322.386	3.091	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H]1C[C@H](c2ccccc2F)C1	281906242	XTQUWRSQSMCDIU-HDJSIYSDSA-N	314.360	3.277	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H]2COc3ccccc32)c1O	290071086	FWGLLSUOKNHFFL-LBPRGKRZSA-N	319.788	3.320	10	20	DGCD	
COC1(CCN[C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1	293900805	WANLYELFOSDMKW-INIZCTEOSA-N	318.461	3.133	10	20	DGCD	
C[C@H](N[C@H](C)CCCCO)c1ccc(Br)cc1O	296560266	SFDGIULWMJIURP-MNOVXSKESA-N	316.239	3.356	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]1C1CC1	363474212	KABYREVROJFEJD-SFHVURJKSA-N	313.445	3.371	10	20	DGCD	
COc1cccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1O	367687362	QJOVPEISUHOHCS-GJZGRUSLSA-N	305.418	3.039	10	20	DGCD	
CO[C@@H]1CCCN(Cc2cc(Br)ccc2O)CC1	377243662	VJRXOGOGTWUAMF-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
CC[C@@H]1C[C@@H](C)CN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	399715003	BMIIMFCDYDDBTQ-HHQZKXIDSA-N	304.346	3.317	10	20	DGCD	
Cc1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)cc1	725740742	MMQXLXDSEZKHEP-UHFFFAOYSA-N	306.369	3.067	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C=C3CCCC3)CC2)cc1	726562051	DIMWJZVREJDDEB-UHFFFAOYSA-N	314.429	3.281	10	20	DGCD	
CCc1ccccc1CNC(=O)NCc1ccc(N(C)C)cc1	740678862	YAWVLCDBASGWDN-UHFFFAOYSA-N	311.429	3.314	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1N	746314024	JNBLBMKKXPWODD-UHFFFAOYSA-N	309.413	3.107	10	20	DGCD	
C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc(O)cs1	746893570	CMEHRMHHLJHYCC-CWKPULSASA-N	323.439	3.024	10	20	DGCD	
CC[C@@H](C)NC(=S)N(Cc1ccccc1O)C[C@@H]1CCCO1	749760684	WYCWHWWUHFYEPH-HIFRSBDPSA-N	322.474	3.046	10	20	DGCD	
Cc1nn(C)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O	755404471	MXNZNOZGTGQFND-JYRVWZFOSA-N	315.423	3.134	10	20	DGCD	
C[C@@H](Cc1cnccn1)N[C@@H](C)c1cc2c(cc1O)CCCC2	756495477	RQCDGMGXXGPOFJ-KBPBESRZSA-N	311.429	3.343	10	20	DGCD	
C[C@H](NCCC(=O)NC(C)(C)C)c1cc2c(cc1O)CCCC2	756685506	QPWUNWXEMVTBGY-ZDUSSCGKSA-N	318.461	3.226	10	20	DGCD	
C[C@H](NCc1nn(C)c2ccccc12)c1ccc(N(C)C)cc1	760898983	WFAWCDAZTXQCDO-AWEZNQCLSA-N	308.429	3.490	10	20	DGCD	
C[C@H](NCCc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1	764643594	ZWQQFNPMNJQJKE-AWEZNQCLSA-N	312.413	3.375	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cn1c(=O)oc2ccc(C)cc21	766342427	RDVPAGWYUBIUGJ-UHFFFAOYSA-N	324.380	3.322	10	20	DGCD	
CC(C)(C)[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768446238	LROPACMFOGHOBO-RHSMWYFYSA-N	319.445	3.466	10	20	DGCD	
CCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	768930807	AWINVWLAGARPKO-UHFFFAOYSA-N	306.425	3.284	10	20	DGCD	
COCc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773018200	IFRBBSLEDYZPQL-AWEZNQCLSA-N	312.413	3.390	10	20	DGCD	
O=C(N(Cc1ccccc1O)C[C@H]1CCCO1)C1(F)CCCC1	773474438	HSUKBFFMDFJKML-OAHLLOKOSA-N	321.392	3.182	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)c1O	775016099	NZTATAILVIYSHS-NQBHXWOUSA-N	308.378	3.223	10	20	DGCD	
COc1ncc(/C=C/C(=O)N2CCCc3c(C)cc(C)cc32)cn1	775826593	DPEBSMYWTSCJBT-VOTSOKGWSA-N	323.396	3.095	10	20	DGCD	
C[C@@H](CN1CCCCC1)NCc1cc(Cl)cc(F)c1O	775972268	MUOFZLBWIBHAEK-NSHDSACASA-N	300.805	3.149	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H](C)C1	780801600	YJJTYXCUCRRIOR-HOCLYGCPSA-N	303.450	3.473	10	20	DGCD	
CC(C)N1CCCN(Cc2c(O)ccc(Cl)c2F)CC1	792157298	RQXYEDBRKOYTMS-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@H]2CCCC[C@H]2C)c(O)c1	792918525	UFKTYSXEGJMAJT-CHWSQXEVSA-N	306.406	3.026	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](CCO)Cc2ccccc2)c1	799732429	YOETUJGNJQBMAD-HOCLYGCPSA-N	315.413	3.045	10	20	DGCD	
CO[C@@H]1CC[C@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)C1	800462479	GUQNKADKTFXQDX-CABCVRRESA-N	314.385	3.213	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C(C)C)oc2C)c1	802781747	GDHJOLQBACZCGK-SNVBAGLBSA-N	318.373	3.312	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2COc3c(C)cccc3C2)c1	810259605	NFOJSVDPCHHIOD-UKRRQHHQSA-N	313.397	3.364	10	20	DGCD	
CC[C@@H](C)CONC(=O)NCc1c(O)ccc2c1CCCC2	813824604	PMHCCPMWEJRXNN-GFCCVEGCSA-N	306.406	3.048	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2n[nH]cc2Br)c(O)c1	815581757	OPLONDWBPVSJJG-JTQLQIEISA-N	324.222	3.345	10	20	DGCD	
C[C@@H]1CSc2ccccc2N(C(=O)/C=C/c2cn(C)cn2)C1	824462105	PJUDYOPDLCSTQP-GWJCSSMESA-N	313.426	3.208	10	20	DGCD	
CC(C)OC(=O)[C@H](C)NCc1cc(Cl)cc(Cl)c1O	825118948	ZMDIRALYPCLDJY-QMMMGPOBSA-N	306.189	3.129	10	20	DGCD	
Cc1cc(O)c(CNCc2nn(C)cc2Cl)cc1Cl	826054592	ZCJNZRZJTIIZHL-UHFFFAOYSA-N	300.189	3.031	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@@H]([C@H]2CCCCO2)C1	827377065	OOTWAYUAZDXYFA-RHSMWYFYSA-N	305.418	3.182	10	20	DGCD	
Cc1cc(CN2CCO[C@H](C(F)F)C2)ccc1N1CCCCC1	829506379	UHRXPQJXHRZVOB-KRWDZBQOSA-N	324.415	3.451	10	20	DGCD	
O=C(CCCc1cccnc1)NCc1c(O)ccc2c1CCCC2	830558942	DVLODZPZZXKKBV-UHFFFAOYSA-N	324.424	3.305	10	20	DGCD	
COc1cccc(CN[C@@H](C)CCCc2cccnc2)c1O	839150963	PEBSRNOZRBBBHR-AWEZNQCLSA-N	300.402	3.297	10	20	DGCD	
Cn1cc(/C=C/C(=O)N2CCCc3c(F)ccc(Cl)c32)cn1	839440884	APYWQDYHZWLVQB-QPJJXVBHSA-N	319.767	3.205	10	20	DGCD	
COC(=O)c1cnc(SC[C@H]2CCCCN2C(C)C)s1	840209763	BIGOZQICMYYBPS-LLVKDONJSA-N	314.476	3.285	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2(N)CCCCC2)cc1	844166822	JNMVXPWNLUMSIN-UHFFFAOYSA-N	317.477	3.153	10	20	DGCD	
CCOc1ccc(CNCc2cc(COC)cs2)c(O)c1	850378235	ZBRQMTAVABMVMA-UHFFFAOYSA-N	307.415	3.289	10	20	DGCD	
Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccc1N	850780828	LVXXTXWHIVNNGO-UHFFFAOYSA-N	324.428	3.499	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](C(=O)O)c3ccccc32)cc1	851706360	LECWXZWJQJLYJT-KRWDZBQOSA-N	310.397	3.331	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1	862760526	UBVAPPAZRIZMTG-FXAWDEMLSA-N	307.393	3.221	10	20	DGCD	
C[C@H](NCCCOCC1CCOCC1)c1c(O)cccc1F	886530549	MHFYNVBGUOXSLV-ZDUSSCGKSA-N	311.397	3.015	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@H](C)c1c(O)cccc1F	886557123	TUOAJIJRGFXKIJ-LLVKDONJSA-N	305.397	3.240	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)c(O)c1OC	893622742	HGJGURMTMRYLHM-CABCVRRESA-N	323.433	3.091	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1C[C@@H]2CCCN2Cc2ccccc21	902699817	SWMZVIZSZZCIDC-LPADLIQXSA-N	319.408	3.106	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)NCCC(C)(C)C	917077317	IWDILAGMKKAFBG-UHFFFAOYSA-N	304.434	3.000	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc2c1CCOC2	932942869	HHTJJDZHIDLWGK-UHFFFAOYSA-N	324.424	3.064	10	20	DGCD	
CCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccc(OC)c(C)c1	1004662359	ZDNNDAKPBJQVRZ-RDJZCZTQSA-N	318.461	3.273	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@@]2(C)CCC[C@H]2C)cc1C	1133444769	ZKINSGPCLMXTMQ-BEFAXECRSA-N	318.461	3.036	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1c(O)nnc(C)c1C	1325356451	KVGMQPZERFDJCO-IINYFYTJSA-N	313.401	3.151	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(CC(=O)O)C(C)C)cc1	1574360926	HBDFNLWYWVNZHM-UHFFFAOYSA-N	314.385	3.029	10	20	DGCD	
CN(C[Si](C)(C)C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1606143573	PANXLQFGPRZANP-VURMDHGXSA-N	308.410	3.006	10	20	DGCD	
CN(C/C=C\c1ccc(F)cc1)c1ccc(OCC(=O)O)cc1	1610114490	JJACLBPQMXZWCE-IHWYPQMZSA-N	315.344	3.439	10	20	DGCD	
O=C(O)[C@@H](NCc1cc(Cl)c(F)cc1O)c1cccs1	1610720241	GGNXEQQDMWXOTG-LBPRGKRZSA-N	315.753	3.162	10	20	DGCD	
CCCC[C@](C)(NCc1ccc(OC)c(COCC)c1)C(=O)O	1776769938	URZBFQSDFVHWHQ-SFHVURJKSA-N	323.433	3.355	10	20	DGCD	
CCCCOCC(=O)NCc1ccc(N2CCC(C)CC2)cc1	118336571	VUKFHNZTWUJHQV-UHFFFAOYSA-N	318.461	3.356	10	20	DGCD	
COc1ccc(N(C)Cc2nc([C@H](C)OC)no2)cc1Cl	121858343	HMOWZMDNTQEZKU-VIFPVBQESA-N	311.769	3.075	10	20	DGCD	
CN(Cc1cccc(Br)c1O)C[C@H]1CCCCO1	132601759	QXXRHMDKJJVMNO-GFCCVEGCSA-N	314.223	3.156	10	20	DGCD	
CCc1ccccc1C(=O)N1CCOc2cc(N(C)C)ccc21	133257297	GRDAOKYIVZUCAS-UHFFFAOYSA-N	310.397	3.354	10	20	DGCD	
CC[C@@H](NCCCNc1ncccn1)c1ccc(N(C)C)cc1	163936002	GUKQDHOLJPYTEW-QGZVFWFLSA-N	313.449	3.086	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCCc3ccccc3C2)cc1	171689157	YWESSNMZLQQWDO-UHFFFAOYSA-N	323.440	3.411	10	20	DGCD	
CC1(O)CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)CC1	177189935	BIEXFWWSSWWASL-UHFFFAOYSA-N	315.413	3.364	10	20	DGCD	
COc1ccccc1N1CCN(Cc2cccc(C)c2O)CC1	183452359	SNMVTZMGMXZRTI-UHFFFAOYSA-N	312.413	3.031	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nccc2ccccc12	183459428	UQAKDLFXQBGJLM-GFCCVEGCSA-N	322.364	3.007	10	20	DGCD	
COc1cc(Cl)cc(CN(C)CCc2ccccn2)c1O	184745035	NCAXFZJMKRWLKW-UHFFFAOYSA-N	306.793	3.124	10	20	DGCD	
Cc1cccc(C[C@H](CO)N[C@H](C)c2ccc(F)cc2O)c1	191612144	QGXZKQDQEJJSGE-CZUORRHYSA-N	303.377	3.094	10	20	DGCD	
Cc1cc(C(=O)NCCCCO)c(C)n1-c1ccc(Cl)cc1	194999961	BIUVFDUWHZUSLC-UHFFFAOYSA-N	320.820	3.250	10	20	DGCD	
CCOc1cccc(CNCc2ccccc2COC)c1O	236951671	KGBZVNMGMCGSFE-UHFFFAOYSA-N	301.386	3.227	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1CCCc2cc(F)cc(F)c21	255315658	NYCYIBAMVLRBOV-WAYWQWQTSA-N	300.308	3.352	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@@H](C)c2ccc(N(C)C)cc2)c1	268914888	NPQCMJWNMMXVBM-LIRRHRJNSA-N	314.429	3.145	10	20	DGCD	
CCCOc1ccc(CN2CCC3(CCOCC3)C2)c(O)c1	271177423	BMLFVYKTMBQNTK-UHFFFAOYSA-N	305.418	3.184	10	20	DGCD	
C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1O	273533091	WSTCRAXBSGXLMK-DGCLKSJQSA-N	311.809	3.382	10	20	DGCD	
CN(C)CCN(Cc1ccco1)Cc1cccc(Cl)c1O	289425777	JVVBYWMWKMQOJF-UHFFFAOYSA-N	308.809	3.202	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCc1cncc(C)c1	293439561	QZSZVFHQWAUDFN-UHFFFAOYSA-N	312.413	3.467	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@]2(N(C)C)CCSC2)c(O)c1	294786297	OBHXNXZNSAMBCB-PBHICJAKSA-N	308.491	3.097	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc(Br)ccc1O)C(C)(C)O	295061467	RFRSNBGKTPCADX-ZANVPECISA-N	316.239	3.355	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1ccc(N3CCCC3)nc1)CC2	296147116	WOOLTXPRJMZWNM-INIZCTEOSA-N	309.413	3.165	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1[C@H]2C=CC[C@H]1CC2	366609034	VMAUMIINHFESIL-ROUUACIJSA-N	311.429	3.289	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCc3c[nH]nc3C2)cc1F	371140822	UCPZGYHPTVOWTQ-HNNXBMFYSA-N	316.424	3.042	10	20	DGCD	
COc1cc(OC)cc(N(C)C(=O)/C=C\c2scnc2C)c1	492035725	XCXQTLYIAIIPLR-WAYWQWQTSA-N	318.398	3.145	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCC2(CC1)CC2	611657747	NRYWWMCKZVRAFM-UHFFFAOYSA-N	314.429	3.448	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2csc(C(C)(C)C)n2)cc1	726498907	TZZVYYUEISUNNX-UHFFFAOYSA-N	317.458	3.437	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCO[C@@H](c2ccc(Cl)cc2)C1	731870861	PFMQRDMVHBPKQA-CYBMUJFWSA-N	323.801	3.321	10	20	DGCD	
O=C(Nc1ccc(Br)cc1O)c1cc(O)cs1	732271027	NFIZUBGLAYHADE-UHFFFAOYSA-N	314.160	3.174	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc3occc3s2)cc1	735993099	GAWLKZZUDIGIAY-UHFFFAOYSA-N	300.383	3.490	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCCC(F)(F)F)c1	743708776	JJHQKKQXPABSFR-VIFPVBQESA-N	320.311	3.104	10	20	DGCD	
COc1ncccc1CN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	756394782	YEUODJXHRMOPIF-ZWNOBZJWSA-N	302.349	3.273	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCC2(N(C)C)Cc3ccccc3C2)c1	756598266	QXCREJCKRQBMEF-INIZCTEOSA-N	324.468	3.450	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2sc(C)nc2C)c1	757242954	RDOVLRGKBMPGNG-MRVPVSSYSA-N	321.402	3.357	10	20	DGCD	
CC(C)(C)[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768446235	LROPACMFOGHOBO-PBHICJAKSA-N	319.445	3.466	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)Nc3cncnc3)c2C)c1	768619622	CTGKIMNCCRMATE-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
CC(C)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	769495340	DXTFVFVMBPGKDA-UHFFFAOYSA-N	302.462	3.391	10	20	DGCD	
CCOC(=O)C1(CNCc2cc(Cl)cc(Cl)c2O)CC1	770665805	OXRBZQCPLYIZDS-UHFFFAOYSA-N	318.200	3.132	10	20	DGCD	
Cn1cc(CCNC(=O)c2cc(O)cs2)c2ccc(F)cc21	771746567	UVMGGRWIJVWXKT-UHFFFAOYSA-N	318.373	3.057	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1ccc(N(C)C)cc1	773387998	BMOLORYSAZQODN-CXAGYDPISA-N	321.490	3.399	10	20	DGCD	
C[C@H](O)CN(Cc1ccccc1)Cc1cccc(Cl)c1O	775659458	WZHZTJYULCFJGO-ZDUSSCGKSA-N	305.805	3.429	10	20	DGCD	
Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)n1	779535457	XICUQWNLUJDLSS-XAVKZTDYSA-N	324.380	3.178	10	20	DGCD	
C[C@H](NCCC1(O)CCC1)c1cccc(C(F)(F)F)c1O	788826871	HITPEOXDLYOMLE-JTQLQIEISA-N	303.324	3.367	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OC[C@H]3CC[C@@H](C)O3)sc2n1	789010093	AQAKNBGMZWNYGT-GHMZBOCLSA-N	320.414	3.220	10	20	DGCD	
CCOc1ccc(CNC[C@@H]2N(C)CCCC2(C)C)c(O)c1	790484681	HLEVOGISTQAUCV-KRWDZBQOSA-N	306.450	3.001	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3c(C)c(C)ccc3[nH]2)c(O)c1	794390094	HNIYGXRDALQFOH-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCN(C2CCC2)C1	795119575	GEIAUQJGAIRJHT-INIZCTEOSA-N	301.478	3.059	10	20	DGCD	
CCOc1ccc(N(C)Cc2ncnn2-c2ccccc2)cc1	799124832	UQBOQTWCGCBZGL-UHFFFAOYSA-N	308.385	3.302	10	20	DGCD	
CCCN(CCN1CCCCCC1)C(=O)c1cc(O)cs1	811543362	SPYLDLWBBWQFGL-UHFFFAOYSA-N	310.463	3.182	10	20	DGCD	
CCCn1nc(C)c(CN[C@H](C)c2cc(OC)ccc2O)c1C	813330722	FFLVNTDFUKBCLQ-GFCCVEGCSA-N	317.433	3.475	10	20	DGCD	
CCc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1O	813386190	IWBLKZVHCDIMPS-UHFFFAOYSA-N	312.413	3.293	10	20	DGCD	
O=C(CCc1ccc2ccccc2n1)NCc1ccccc1O	813489143	QISVWDMDWJDGQP-UHFFFAOYSA-N	306.365	3.189	10	20	DGCD	
CN(C)[C@]1(CNCc2ccc3ccccc3c2O)CCSC1	816555503	HMRWGDULZAMUJC-SFHVURJKSA-N	316.470	3.072	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](C3CCCC3)C2)c1O	817415648	WDOYKRIAQSCPSG-CYBMUJFWSA-N	320.389	3.321	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cn1	817942626	QBMQQAVLEGNQBM-WBMJQRKESA-N	318.852	3.152	10	20	DGCD	
CC1(C)CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1	819168141	LTFWVSLHXFPLBR-CQSZACIVSA-N	316.401	3.125	10	20	DGCD	
CCOc1cccc(CNCCCc2ncccc2C)c1O	824783275	IKVBQMZJQOSPIA-UHFFFAOYSA-N	300.402	3.217	10	20	DGCD	
CCO[C@@H]1CCCC[C@H]1NCc1cc(Cl)cc(OC)c1O	825299200	FQWFRGGCWSJGKQ-ZIAGYGMSSA-N	313.825	3.492	10	20	DGCD	
CC(C)(CN1CCCC1)NCc1cc(Cl)cc(F)c1O	825326951	PZCMXSWOEOYOMA-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CC2(CCC2)c2ccccc21	830279922	WBNBTZIRQYHLQF-UHFFFAOYSA-N	313.328	3.319	10	20	DGCD	
COc1cccc(O[C@H](C)CN[C@H]2CCc3cccc(O)c32)c1	834602815	VDAVMMYTIMYCQM-DYVFJYSZSA-N	313.397	3.445	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H]1CC	838774374	JHCULDKENJAPHP-WBVHZDCISA-N	320.433	3.271	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cn1	839915370	DVIOWCJGGYLDQN-OAHLLOKOSA-N	311.429	3.125	10	20	DGCD	
CSCC(C)(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839921015	GFZKMSBRKPUXEG-CQSZACIVSA-N	322.518	3.497	10	20	DGCD	
COc1cc(C)cc(CN2CC(C)(C)[C@H]2c2nccn2C)c1O	840110292	XPOSXGBDEGGZLF-MRXNPFEDSA-N	315.417	3.026	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1C[C@H](C)N(C2CC2)C1	840893388	IYDKLYWBNNTDJG-BQFCYCMXSA-N	315.505	3.207	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1cc(C)n(C)n1	840894170	PMRBZZJMHGIMHV-GOEBONIOSA-N	314.477	3.385	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1ccn(C)n1	840895034	UXDAOZGPAHJPGV-CABCVRRESA-N	300.450	3.076	10	20	DGCD	
CCOc1ccc(CN[C@@H]2Cc3ccccc3[C@@H]2OC)c(O)c1	840955986	FSUUFCCIDWKNHR-MJGOQNOKSA-N	313.397	3.193	10	20	DGCD	
CN(C)c1ccc(CN2CCC(OC3CCC3)CC2)cc1F	841888093	DQETZDUAEKVVRS-UHFFFAOYSA-N	306.425	3.425	10	20	DGCD	
CNC[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	843045266	TVSCOJVQRVAVMJ-GOSISDBHSA-N	301.478	3.108	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@@H]1CCCN1	843048028	JOJXUOCTUHQDSY-UONOGXRCSA-N	312.816	3.291	10	20	DGCD	
Cc1nnc(CN(C)Cc2cc(C(C)(C)C)cc(O)c2O)s1	853617865	RJUQMXMUVDECCG-UHFFFAOYSA-N	321.446	3.187	10	20	DGCD	
COc1cccc(NCc2ccc(N3CCOCC3)cc2)c1C	858240366	JSAYBFZRLTVUEU-UHFFFAOYSA-N	312.413	3.452	10	20	DGCD	
Cc1nnsc1CNCc1ccc(N2CCC(C)CC2)cc1	877024534	GWAIJRNIQLLQJD-UHFFFAOYSA-N	316.474	3.373	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(Cl)cn2C)c(O)c1OC	892223952	OECWSQSMQAWSEL-UHFFFAOYSA-N	324.808	3.033	10	20	DGCD	
O=C(NCCC1CCC(F)(F)CC1)NCc1ccccc1O	892527821	XYCGDJVWZLCAMO-UHFFFAOYSA-N	312.360	3.407	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2CCN(C3CCCCC3)C2)c1O	895273194	JBCFKWPTWYPBPM-INIZCTEOSA-N	318.461	3.206	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](C)Cc2cccnc2)c1O	897969251	HRGQDNUHCUFWNC-NSHDSACASA-N	306.793	3.170	10	20	DGCD	
CCN(C(=O)CN[C@@H](C)c1ccc(C)cc1O)c1ccccc1	903197666	SIRJIJMVEQYNOX-HNNXBMFYSA-N	312.413	3.404	10	20	DGCD	
O=C(O)CC[C@H]1CCCC[C@H]1NCc1cc(F)cc(F)c1O	904017261	IIBSIGOOXNTCBK-QMTHXVAHSA-N	313.344	3.184	10	20	DGCD	
CCC[C@H](O)CCN[C@@H](C)c1ccc(Br)cc1O	927014497	CGXVKACOGDICPE-JQWIXIFHSA-N	316.239	3.356	10	20	DGCD	
C[C@H]1CCCN(C(=O)CCN[C@H](C)c2ccc(Cl)cc2O)C1	1118027234	VPPKZFKUQRDIFK-QWHCGFSZSA-N	324.852	3.345	10	20	DGCD	
COc1cc(CN[C@@H](C)c2noc(C)n2)c(O)c(C(C)(C)C)c1	1118578752	YHVGAVDKGLJARZ-JTQLQIEISA-N	319.405	3.241	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc(C2CC2)[nH]1	1118798120	XIBWBJYPJLXQDT-UHFFFAOYSA-N	324.428	3.207	10	20	DGCD	
COc1cc(CN2C[C@H]3CC[C@H]2[C@H](O)C3)c(O)c(C(C)(C)C)c1	1331522381	FCKSGBYPTUPMOK-AFAVFJNCSA-N	319.445	3.044	10	20	DGCD	
CC(C)O[C@@H]1C[C@H](N[C@@H](C)c2cc(C(=O)O)ccc2O)C1(C)C	1591695728	JNQOHXGHWZNAHJ-KNXALSJPSA-N	321.417	3.333	10	20	DGCD	
C[C@@H](N[C@@H]1CCCc2cccnc21)c1cc(C(=O)O)ccc1O	1593354389	OSAOANZVVKDIJC-IAQYHMDHSA-N	312.369	3.214	10	20	DGCD	
CCN(CC)c1ccc(/C=C\c2ccncc2-c2nn[nH]n2)cc1	1604288033	HMQGMXWWAKMRFE-YVMONPNESA-N	320.400	3.278	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](CC(C)(C)C)C(=O)O)ccc21	1776875836	MYFWDMKAZHCFCW-INIZCTEOSA-N	318.461	3.438	10	20	DGCD	
CCOCCCC(=O)N(Cc1ccco1)Cc1ccccc1O	125345912	HIOPGCFHGLXROC-UHFFFAOYSA-N	317.385	3.331	10	20	DGCD	
Cc1ccccc1CNC(=O)NCc1ccc(N(C)C)c(F)c1	125356052	QASGLAIBVGHXHL-UHFFFAOYSA-N	315.392	3.200	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCO[C@]3(CCSC3)C2)cc1F	151454680	XJDOHDAFZHKLAV-RHSMWYFYSA-N	324.465	3.036	10	20	DGCD	
C[C@H](SCc1ccccc1)C(=O)NCCc1ccc(N)cc1	152496280	HYCUAEMTIZRQMR-AWEZNQCLSA-N	314.454	3.249	10	20	DGCD	
CC(C)CCn1ccc(NC(=O)N(C)Cc2ccccc2O)n1	161444952	DDIIWMOWVHSTPQ-UHFFFAOYSA-N	316.405	3.299	10	20	DGCD	
CC(C)(C)c1cnc(SCC(=O)NCc2ccco2)s1	164382713	MUXPOBJGWDOAAI-UHFFFAOYSA-N	310.444	3.442	10	20	DGCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cccs1	170279004	NQEOVMSVBXQVBN-UHFFFAOYSA-N	307.755	3.047	10	20	DGCD	
CCCc1cnc(NC(=O)NCc2ccc(N(C)C)cc2)s1	180834287	QOASWLNZNJJDOP-UHFFFAOYSA-N	318.446	3.483	10	20	DGCD	
C[C@H](NCc1nccs1)c1cc(Br)ccc1O	185087435	PVELOZIECHELDC-QMMMGPOBSA-N	313.220	3.462	10	20	DGCD	
C[C@H](NC[C@@H]1CCCOC1)c1cc(Br)ccc1O	185089475	XUBIHLFYQUGFLF-QWRGUYRKSA-N	314.223	3.232	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cn1	185397868	UATWEBGPJXVBSN-ZDUSSCGKSA-N	316.401	3.435	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccccc2[N+](=O)[O-])c1	194619383	ABTCGMNCJTUZNQ-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
COc1cc(Cl)cc(CNCCc2nc(C)cs2)c1O	228670976	FXMLNGQMIFUWTN-UHFFFAOYSA-N	312.822	3.151	10	20	DGCD	
O=C1/C(=C\c2cccnc2)SC(=S)N1[C@H]1C[C@H]2CC[C@H]1C2	249581003	NIWLMFXDLWALFU-QIUJEGIQSA-N	316.451	3.471	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccccc1O)c1nc(C)cs1	264248448	BBULNERGWWIJNM-GFCCVEGCSA-N	305.403	3.108	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCO1	269326710	BIKJYHSQZCUSPK-KRWDZBQOSA-N	304.434	3.059	10	20	DGCD	
CC(C)(C)c1nnc(CNCc2cccc(Cl)c2O)s1	271821207	MYOLNQLCRSWXQQ-UHFFFAOYSA-N	311.838	3.484	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C)c(C)c2O)[C@@]12CCCO2	274120558	AJZJCTXAVKGPIK-XZKMEQPCSA-N	319.445	3.386	10	20	DGCD	
COc1ccc(N(C)Cc2ncnn2C(C)(C)C)cc1Cl	283309167	YYIPEWHDEDEBNN-UHFFFAOYSA-N	308.813	3.332	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2cc[nH]n2)c1O	285307520	HWHTVDDHVGXVSP-MRXNPFEDSA-N	317.364	3.184	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC1(Cl)Cl	291071161	XEXGMYPBLCQDJY-CYBMUJFWSA-N	315.244	3.295	10	20	DGCD	
Cn1ccnc1[C@@H]1N(Cc2c(O)cccc2Cl)CC1(C)C	294700754	CZQGWBPRVHVOLN-AWEZNQCLSA-N	305.809	3.362	10	20	DGCD	
CCOc1ccc(N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1	305197895	USTFYGYIYOQESK-QGZVFWFLSA-N	316.357	3.163	10	20	DGCD	
CC[C@@H](NCc1cnc2n1CCCC2)c1ccc(F)cc1O	375800454	AQWCZNDXIJJFSY-OAHLLOKOSA-N	303.381	3.305	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc(Cl)c([N+](=O)[O-])c1	385711354	RVLCIMHSPBDGFD-UHFFFAOYSA-N	311.677	3.427	10	20	DGCD	
C[C@@H]1SCC[C@@H]1NCc1ccc(Br)cc1O	691463876	CQILZMDDSVPPLT-KWQFWETISA-N	302.237	3.138	10	20	DGCD	
Cc1cc(Br)cc(CN2CC[C@@H](CF)C2)c1O	711501393	DXMNGIIDMWRPKD-JTQLQIEISA-N	302.187	3.255	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)c1	728983552	BFPNQPBRIYPGFI-GFCCVEGCSA-N	324.380	3.302	10	20	DGCD	
COCc1cccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1	728983587	BPFMKYJVTNARBF-GFCCVEGCSA-N	315.369	3.038	10	20	DGCD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2ccccc2O)c1	748344745	BCFULJUVFQAHDY-LBPRGKRZSA-N	319.788	3.438	10	20	DGCD	
Cc1ccc(C)c(SCC(=O)NCc2ccccc2O)c1	748349891	KFNKHIBFXSXGTE-UHFFFAOYSA-N	301.411	3.418	10	20	DGCD	
CC[C@@H](C)Oc1cc(/C=C2/SC(=S)NC2=O)ccc1OC	749452934	QMZOPILILVUZPV-TVNQGELYSA-N	323.439	3.361	10	20	DGCD	
COCC[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	754590886	AHSJNJKKJSKUAN-CYBMUJFWSA-N	302.374	3.071	10	20	DGCD	
COC(=O)[C@H](CC1CCCCC1)NCc1ccc2c(c1)CCO2	756147765	URHYSIACUYTXQB-KRWDZBQOSA-N	317.429	3.223	10	20	DGCD	
CC[C@@H](CO)N[C@@H](C)c1cc(Br)cc(Cl)c1O	756338994	BCPVKAVVTDUPLE-CBAPKCEASA-N	322.630	3.230	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CC(=O)O)C2CC2)cc1F	756387681	LMAWZSREYGQOJN-OAHLLOKOSA-N	308.397	3.015	10	20	DGCD	
Cc1cc(C)cc([C@@H](NCc2ccc3c(c2)CCO3)C(=O)O)c1	756389817	SMSNQXLSUNCRGE-GOSISDBHSA-N	311.381	3.154	10	20	DGCD	
CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc2ccccc2c1O	756775750	SLNVGFYXALSTJA-VUCTXSBTSA-N	312.413	3.111	10	20	DGCD	
CCCC1(CNC(=O)NCc2ccc(N(C)C)cc2C)CC1	759770174	JWBLELWYQAKDTB-UHFFFAOYSA-N	303.450	3.441	10	20	DGCD	
C[C@H](N[C@H](CO)CC(F)F)c1ccc(Cl)c(Cl)c1O	760049486	GLTOZTSXLBTOGS-BQBZGAKWSA-N	314.159	3.366	10	20	DGCD	
CCC[C@@H](CC)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	761185724	QLOINVPTQJQTEX-CYBMUJFWSA-N	324.808	3.389	10	20	DGCD	
C[C@@H](CSc1ccccc1)C(=O)NCc1ccccc1O	769363581	VQIQJVXMIDVTMK-ZDUSSCGKSA-N	301.411	3.437	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(O)cc1)c1ccc(N(C)C)cc1	773627456	XVHDFYIGDDTZNS-CYBMUJFWSA-N	313.401	3.019	10	20	DGCD	
Cc1nn(C)c(Cl)c1CN[C@H](C)c1ccc(N(C)C)cc1	775835521	UCIKHDAGKNRPHJ-LLVKDONJSA-N	306.841	3.299	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	779525546	QUQKZAIUPGKNOS-GFJZXIFWSA-N	301.386	3.196	10	20	DGCD	
COc1ccc2nc(/C=C3\SC(=S)N(C)C3=O)sc2c1	788680569	OBDVHUDDYCFLKF-POHAHGRESA-N	322.436	3.136	10	20	DGCD	
CN(Cc1ccccc1O)Cc1c(F)cc([N+](=O)[O-])cc1F	795957922	VFDGQNJQORPILJ-UHFFFAOYSA-N	308.284	3.211	10	20	DGCD	
CC(C)[C@@H](CO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796318088	WCYQJQWUVMCXLW-HXUWFJFHSA-N	324.468	3.356	10	20	DGCD	
Cc1cc(NCc2cc(Cl)cc(Cl)c2O)n2ncnc2n1	808088914	GGQLDJYHTLHEGF-UHFFFAOYSA-N	324.171	3.057	10	20	DGCD	
CCN(CCCO)Cc1ccc2c(c1)CCN2Cc1ccccc1	809581769	OOPFYGVGFJKOTI-UHFFFAOYSA-N	324.468	3.454	10	20	DGCD	
Cc1cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1N(C)C	815119744	GHQOGZRTALGZEF-QZTJIDSGSA-N	302.462	3.450	10	20	DGCD	
Oc1c(CN2CCC[C@H](Cn3ccnn3)C2)ccc2ccccc12	816520870	AFXCHDSNLQBQKV-HNNXBMFYSA-N	322.412	3.049	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1CCCN(CC2CC2)C1	827949765	NSDBDBNFYNAFEO-SFHVURJKSA-N	315.505	3.273	10	20	DGCD	
CC[C@](C)(CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC	834881598	AYYMLBSVWYOCRE-RDTXWAMCSA-N	324.440	3.128	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(O)cs1	839920033	ZURLCBNVGUCKFY-LBPRGKRZSA-N	318.442	3.189	10	20	DGCD	
C[C@H](CCCC(F)(F)F)NC(=O)NCCc1ccc(N)cc1	841886593	UGGVIVORMOWYCO-LLVKDONJSA-N	317.355	3.232	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(OCc3ccccc3)cc2O)CO1	843432176	IRVGHLPEKCGYSC-WMLDXEAASA-N	313.397	3.238	10	20	DGCD	
COCC1(CC(=O)NCc2ccc(N3CCCCC3)cc2)CC1	843776426	OTIZZFVEJYFNJM-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](O)c2c(F)cccc2F)c1O	846154038	JDCNTVLBKJIEFM-QMTHXVAHSA-N	323.339	3.063	10	20	DGCD	
CC[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)C(C)(C)O	850311435	VLOFXSFOYABXKO-OAHLLOKOSA-N	309.450	3.337	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@@H](O)c2ccccn2)cc1	851716372	LPLSTBWRPOGRGM-LJQANCHMSA-N	313.445	3.093	10	20	DGCD	
Cc1cc(CN2CCc3nc(C4CC4)ncc3C2)ccc1N(C)C	859797802	PESOJUTYDHXDHY-UHFFFAOYSA-N	322.456	3.287	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCC[C@@H](O)c2ccccc2)c1	862755035	NMOQJJXITPZIDH-QGZVFWFLSA-N	313.397	3.221	10	20	DGCD	
COc1cccc(CN[C@@H](C)c2c(O)cccc2F)c1OC	886507728	XAASBDSTBIFGHS-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
COc1ccc(CNCCc2ccccc2C)c(O)c1OC	892409951	OEOBANKNWWPYAS-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
COc1cc(C)cc(CN2CCc3ccc(O)cc3CC2)c1O	893981098	SCPVGAQDAWIKHP-UHFFFAOYSA-N	313.397	3.016	10	20	DGCD	
COc1cc(C)cc(CNC[C@](C)(OC)c2ccccc2)c1O	894897496	FWBYUWHTWZBZBA-IBGZPJMESA-N	315.413	3.361	10	20	DGCD	
COCC1CN(Cc2ccc(OCc3ccccc3)cc2O)C1	895971853	UXYFXLDDXHLKQK-UHFFFAOYSA-N	313.397	3.049	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(CC(=O)O)CC2)cc1	901420759	WFFSXDAGQGFVIB-UHFFFAOYSA-N	304.434	3.220	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ccc2ccccc21	918278605	BHSIBOYUMLOZPI-UHFFFAOYSA-N	321.424	3.366	10	20	DGCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)C1(Cl)CC1	924709507	XAUWRUWEGOLKBM-ZDUSSCGKSA-N	310.894	3.489	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCCCN2C(=O)C(C)C)cc1C	959882645	CKHLNAXWEKZQIM-KRWDZBQOSA-N	318.461	3.130	10	20	DGCD	
CCn1nc(C(C)C)cc1C(=O)N(C)Cc1ccccc1O	1115861527	FGNDDJDEEYUCOM-UHFFFAOYSA-N	301.390	3.004	10	20	DGCD	
C[C@@H]1CC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1	1119326442	NTZAWWRLXUAAMT-RISCZKNCSA-N	315.442	3.235	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)CCC3CCC3)CC2)cc1	1253863032	ATVMPGXWKWVBIZ-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
Cc1cccc(NC[C@@H]2CCCN2Cc2cc(F)ccc2O)n1	1320161982	UVJUBZZVALQOAB-INIZCTEOSA-N	315.392	3.311	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](CO)CC(F)(F)F	1321037648	PVOARIQGWPCXDV-MXWKQRLJSA-N	303.324	3.152	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(C2CCCCC2)CC1	1335372634	DPHMAQQXHZHMOD-VQHVLOKHSA-N	301.386	3.340	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CC[C@H]2CCCC[C@@H]2C1	1338750261	LOIKOGKSGROCIL-VXGBXAGGSA-N	318.446	3.266	10	20	DGCD	
O=C(O)CC1(NCc2cc(Cl)c(F)cc2O)CCCCC1	1610758081	JEQCTHBVCRRWGN-UHFFFAOYSA-N	315.772	3.452	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)c1cc(C(=O)O)ccn1	1777071246	LOZGLYYYBMTRHU-UHFFFAOYSA-N	311.385	3.016	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3c(Cl)cccc3C2)c(O)c1O	179511640	YDVPODUFWJJPDW-UHFFFAOYSA-N	317.772	3.258	10	20	DGCD	
CCCCS[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	173196367	UHBJXGPYMBUNNK-ZDUSSCGKSA-N	322.474	3.400	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCOc1ccccc1	60678729	PNVGZKKCQPBCAV-UHFFFAOYSA-N	312.413	3.180	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CCN1C	316426119	BETZFULSCWCIOO-AEFFLSMTSA-N	301.478	3.249	10	20	DGCD	
CC1(C)CCCC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1	122925617	UJTWVBNJUNKWON-AWEZNQCLSA-N	305.418	3.363	10	20	DGCD	
C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(F)ccc1O	180253119	PPLWDIJIROWFRF-AMXDTQDGSA-N	321.417	3.462	10	20	DGCD	
C[C@@H](C[S@](C)=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1O	186541197	VYZVAWLCCSCRKI-KEJSXXJDSA-N	310.246	3.117	10	20	DGCD	
COc1ccc(N(Cc2ccccc2)CC(OC)OC)cc1	136785022	AYWXKZYATQOMDG-UHFFFAOYSA-N	301.386	3.321	10	20	DGCD	
CN(CCN1CCCC1=O)c1ccc(OCc2ccccc2)cc1	189645814	HQHOAHIPRDWQPC-UHFFFAOYSA-N	324.424	3.324	10	20	DGCD	
CCOc1ncccc1NCc1cc(Cl)cc(OC)c1O	228676568	CGQKVIRSUHVWEW-UHFFFAOYSA-N	308.765	3.460	10	20	DGCD	
Cc1c(CNC(=O)Nc2nccs2)n(C)c2ccccc12	348446211	HEELEPFJQGWNOE-UHFFFAOYSA-N	300.387	3.265	10	20	DGCD	
O=C1/C(=C\c2cccnc2)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2	249581001	NIWLMFXDLWALFU-OEBRTSQOSA-N	316.451	3.471	10	20	DGCD	
COC(=O)C(=O)CCCSc1ncc(C(C)(C)C)s1	285264855	SQWOLRFBDBYKEJ-UHFFFAOYSA-N	301.433	3.055	10	20	DGCD	
CCCOc1ccc(CN2CCOC[C@@H]2CC(F)F)c(O)c1	289800529	SKYJYHZRBNSZQM-ZDUSSCGKSA-N	315.360	3.037	10	20	DGCD	
COc1ccc(O)c(CNCc2cccc(C(F)(F)F)n2)c1	294829886	PVVMNBSEUNXFQX-UHFFFAOYSA-N	312.291	3.104	10	20	DGCD	
FC(F)C1(NCc2ccc(N3CCOCC3)cc2)CCCC1	808452015	UXTFYTVQSUZVRJ-UHFFFAOYSA-N	310.388	3.191	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1F	811518806	PDRVANVDLKJNCF-QZTJIDSGSA-N	318.436	3.425	10	20	DGCD	
CC[C@@H](CCO)CN[C@H](C)c1cccc(C(F)(F)F)c1O	815587447	JWNPCQSVCALHQA-MNOVXSKESA-N	305.340	3.470	10	20	DGCD	
CCCc1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)o1	815629406	CAMQZKOVFYVPOV-UHFFFAOYSA-N	315.417	3.240	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@@H](C)COC)cc1F	812505516	OVQTUZNTGRMACA-UONOGXRCSA-N	324.440	3.207	10	20	DGCD	
Cc1ccn2cc(CNCc3cc(Cl)c(F)cc3O)nc2c1	816548685	PGHQKMQWQLAFKA-UHFFFAOYSA-N	319.767	3.431	10	20	DGCD	
C[C@H](NCC[C@@H]1CCNC1)c1cc(Cl)c(Cl)cc1O	817955026	OXGNEOSMQJDVDJ-UWVGGRQHSA-N	303.233	3.349	10	20	DGCD	
COC(=O)c1cnc(SCc2c(C)cc(C)nc2OC)s1	829677778	LIRYSBXFJBFYTH-UHFFFAOYSA-N	324.427	3.242	10	20	DGCD	
CC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	734687485	DENNPEOACPPUGI-OAHLLOKOSA-N	303.450	3.393	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N=c2cc[nH]cc2O)c1C	731857456	CBSDMKDPSZDNFB-UHFFFAOYSA-N	321.380	3.177	10	20	DGCD	
COc1ccccc1NC(=S)NNc1c(F)cccc1F	735627112	SHINXCQWDQZPBT-UHFFFAOYSA-N	309.341	3.287	10	20	DGCD	
CCOC(=O)COC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	916587490	SEVWXRSUVCICTQ-UHFFFAOYSA-N	315.369	3.122	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)CS1	840854857	HCVBOPBCJQBEMF-IIAWOOMASA-N	306.475	3.068	10	20	DGCD	
COCCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	745507563	KLGVGQULCFUAJT-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCc2ccccc21	841962005	KEKIFKZWAUPBGD-SFHVURJKSA-N	309.413	3.140	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CCN(C)[C@H](C)C1	840892565	BANNPEGDYXNGQR-JZXOWHBKSA-N	303.494	3.064	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCC(c2ccncn2)CC1	840953578	UZLXXKLPXKAHJR-UHFFFAOYSA-N	321.783	3.354	10	20	DGCD	
CCOc1ccc(O)c([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c1	840829069	WPAIVCUXGCVUQI-HNNXBMFYSA-N	320.433	3.046	10	20	DGCD	
CC1CCN(c2ccc(CNCc3cnc4n3CCC4)cc2)CC1	850130103	ZOPQQDWXKJIKOO-UHFFFAOYSA-N	324.472	3.355	10	20	DGCD	
COc1ccc(N(C)Cc2cnn(C(C)(C)C)c2)c(OC)c1	851866005	ZNIZAOUYWWVWSL-UHFFFAOYSA-N	303.406	3.292	10	20	DGCD	
C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cc([N+](=O)[O-])ccc1O	756613914	RSKDWKNPVDKZID-SPGJAERMSA-N	320.389	3.155	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](O)COc2ccccc2)c(O)c1C	756394833	AHWUKSWOGAUOEI-HOTGVXAUSA-N	315.413	3.100	10	20	DGCD	
CCN(CCN[C@@H](C)c1ccc(F)cc1O)CCC(F)(F)F	756051436	WQSDVDIEGXSPNZ-NSHDSACASA-N	322.346	3.456	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)c1cccc(O)c1	932943784	OOFRFWHNHRKSFM-AWEZNQCLSA-N	312.413	3.187	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2CCO[C@H]2c2ccccc2)c1	865650990	SOMZFVHYVSOSBL-MJGOQNOKSA-N	313.397	3.411	10	20	DGCD	
Nc1ccc(Cc2noc([C@@H]3[C@H]4Cc5ccccc5[C@H]43)n2)cc1	863655638	HBNXKCOJWYGYMS-CGTJXYLNSA-N	303.365	3.296	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@H](n3ccnc3)C2)cc1F	862238193	PKBKPYPEEFAPRN-AWEZNQCLSA-N	320.387	3.064	10	20	DGCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H](c2ccsc2)O1	760140190	GGHBFDNQLMQQDL-BXKDBHETSA-N	309.412	3.117	10	20	DGCD	
COC(=O)C1(N(C)Cc2ccc(N(C)C)c(F)c2)CCCCC1	769400992	CIZAFNKRUDWZAC-UHFFFAOYSA-N	322.424	3.199	10	20	DGCD	
C[C@@H](N[C@H](CO)CC(F)F)c1cc(Cl)c(Cl)cc1O	774381352	MGMJIXDGDKSOQI-RQJHMYQMSA-N	314.159	3.366	10	20	DGCD	
OC1CCN(c2ccc(CNc3ccc(Cl)nc3)cc2)CC1	877166444	AFSQRRNSRYYFAA-UHFFFAOYSA-N	317.820	3.308	10	20	DGCD	
CCOC(=O)N1CCC(C)(CNCc2cc(C)ccc2O)CC1	877652932	QRSSDMRPCAUYSN-UHFFFAOYSA-N	320.433	3.049	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc21)c1ccc(N(C)C)cc1	773614260	SUQRUIGSCUVFQD-PBHICJAKSA-N	323.440	3.453	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCCOC(C)C	783020884	ULABJMMKZBIYFO-UHFFFAOYSA-N	321.465	3.065	10	20	DGCD	
COc1ccc(CNc2ncnc3scc(C)c23)c(O)c1	794788917	VYSGHMLOUUMLNZ-UHFFFAOYSA-N	301.371	3.326	10	20	DGCD	
OCC[C@H](Cc1ccccc1)NCc1c(O)ccc(Cl)c1F	799350644	WQJFVYORIQGMNX-CYBMUJFWSA-N	323.795	3.268	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCCN3CCC[C@@H]3C2)c1	1318223420	WPJZBRFRHXOECF-MRXNPFEDSA-N	318.461	3.065	10	20	DGCD	
C[C@@H](NC(=O)NC[C@@H]1CCc2ccccc21)c1ccccc1O	1336398850	BANRFSROILSTEC-HIFRSBDPSA-N	310.397	3.482	10	20	DGCD	
C[C@H](N[C@H]1CCc2cc(N)ccc21)c1cc(C(=O)O)ccc1O	1593234435	ZZOUCERNYWKKEK-QFYYESIMSA-N	312.369	3.011	10	20	DGCD	
CC[C@@H](NCc1ccc(C)c(-c2nn[nH]n2)c1)c1ccccc1O	1590467227	TWLZWUHPDBGEGL-MRXNPFEDSA-N	323.400	3.122	10	20	DGCD	
CCOc1cccc(CN[C@H](CC2CCCCC2)C(=O)O)c1O	1597155240	JIMVDLKINHPFNE-OAHLLOKOSA-N	321.417	3.304	10	20	DGCD	
COc1nc(C)cc(C)c1CSc1ncc(C(=O)O)s1	1599730147	QCIYSHVMJNCIPJ-UHFFFAOYSA-N	310.400	3.154	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CCC[C@@H]2C)cc1F	1776861229	RSAGMQGKESDSND-SCLBCKFNSA-N	322.424	3.405	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCCONC(=O)OC(C)(C)C)c1	903240257	WFZQCFVGOGGVKZ-CYBMUJFWSA-N	324.421	3.198	10	20	DGCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccsc1	61361029	JMSDQKPMJMCBPM-AWEZNQCLSA-N	302.443	3.436	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@H]1OC	80484874	HMFYSSXPAUGNRB-NVXWUHKLSA-N	320.433	3.271	10	20	DGCD	
CCOc1cccc(CN2CC[C@@H](CN3CCCCC3)C2)c1O	93683568	IQMUSDSWOFYZLF-INIZCTEOSA-N	318.461	3.099	10	20	DGCD	
CN(C)c1ccc(CNc2cccc(C(=O)NC3CC3)c2)cc1	120465541	OYHNWABMCMUJEF-UHFFFAOYSA-N	309.413	3.257	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(F)c(F)c2)c1	131354891	TZEMXYKPAGWXDF-JTQLQIEISA-N	321.323	3.099	10	20	DGCD	
COc1cccc(C2(NCc3cc([N+](=O)[O-])ccc3O)CC2)c1	150895868	ROTVATWFBQAHQU-UHFFFAOYSA-N	314.341	3.088	10	20	DGCD	
CCc1nn(C)c(CC)c1CN(C)Cc1ccc(N(C)C)cc1	156472273	SXCZBSKIFRUQQB-UHFFFAOYSA-N	314.477	3.243	10	20	DGCD	
CC(C)CCN(C)C(=O)NCCCSc1nccs1	177852053	RJYQWTLYBWCYFT-UHFFFAOYSA-N	301.481	3.313	10	20	DGCD	
C[C@H](NCCc1nnc(-c2ccccc2)o1)c1ccccc1O	183625174	PXMZBRHKBCHNCK-ZDUSSCGKSA-N	309.369	3.336	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2scnc2C)c1	189006413	JAZALMAKLDZMRS-VQCYPWCPSA-N	318.398	3.056	10	20	DGCD	
Cc1ccccc1C1CCN(C(=O)c2cccc(O)c2O)CC1	193040106	NFHYLWSMPGQFAH-UHFFFAOYSA-N	311.381	3.426	10	20	DGCD	
Cc1nc(NCc2ccc(N(C)C)c(F)c2)ccc1[N+](=O)[O-]	268496000	PBEDVLBMPNCNNT-UHFFFAOYSA-N	304.325	3.115	10	20	DGCD	
C[C@@H](N[C@H](C)c1nncn1C)c1ccc(N2CCCCC2)cc1	268824465	AWCBTEOUTUQMLL-HUUCEWRRSA-N	313.449	3.217	10	20	DGCD	
C[C@H](Nc1ccc(CCO)cc1)c1cc([N+](=O)[O-])ccc1O	273346971	AVKXKIKMWIOJRU-NSHDSACASA-N	302.330	3.008	10	20	DGCD	
CCOCc1cc(CN[C@@H]2CCCC[C@H]2OC)ccc1OC	278705224	JXWMJLFDLMXQJE-SJLPKXTDSA-N	307.434	3.279	10	20	DGCD	
CC[C@@H](NC[C@H](O)c1ccccc1F)c1ccc(F)cc1O	286157935	PSUYSWDNOOZUPU-WBVHZDCISA-N	307.340	3.445	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H]2c2nc(C)no2)c1O	289818746	NZYAHKSWIHXMBO-GFCCVEGCSA-N	323.780	3.083	10	20	DGCD	
OC[C@@H]1CN(Cc2cccc(Cl)c2O)CC[C@H]1C(F)(F)F	289957467	YYYDQEVZSMEBOI-WDEREUQCSA-N	323.742	3.038	10	20	DGCD	
COc1ccncc1CNCc1ccc(N2CCCCC2)cc1	292805850	VXWOQOUELUWLLI-UHFFFAOYSA-N	311.429	3.370	10	20	DGCD	
CC(C)(CO)[C@@H](NCc1cccc(Cl)c1O)c1cccnc1	293748058	WNINRRXVOCMLCG-INIZCTEOSA-N	320.820	3.290	10	20	DGCD	
CCc1nn(C)c(OC)c1CN[C@H](C)c1c(C)cc(C)cc1O	294559018	BIDAOZOMTVRZDZ-CYBMUJFWSA-N	317.433	3.164	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc2c(c1)CCCC2=O	315956380	SSKGQEIAQTZYMK-UHFFFAOYSA-N	300.310	3.384	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)OC1CCCC1	323837540	RYHIUYWBYQUFAZ-UHFFFAOYSA-N	318.417	3.034	10	20	DGCD	
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCc2ccccc2O)C1	382452245	GIPKYDQFHHVTMQ-UKRRQHHQSA-N	320.433	3.175	10	20	DGCD	
CC(C)O[C@@H]1CCN(Cc2cccc(Br)c2O)C1	701727808	GQMNIUREZQDDKB-GFCCVEGCSA-N	314.223	3.154	10	20	DGCD	
CCC1(CNC(=O)NCc2ccc(N(C)C)cc2C)CCC1	752395394	AQXJDDRJELEEOI-UHFFFAOYSA-N	303.450	3.441	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](C)[C@H]2CCCOC2)c1O	754566977	NCWLZBDHPMJWMW-JQWIXIFHSA-N	311.809	3.153	10	20	DGCD	
C[C@@H](NCCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756365828	PBBSQJBPRHQUKJ-CYBMUJFWSA-N	316.357	3.420	10	20	DGCD	
CCc1cc(CN[C@H](C)c2cc(Br)ccc2O)n[nH]1	756571888	GUSYUFIBAHIRLP-SECBINFHSA-N	324.222	3.291	10	20	DGCD	
O=C(C1=CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	764397472	WRCGZUMCOZSNIK-INIZCTEOSA-N	301.386	3.010	10	20	DGCD	
Oc1c(Br)cccc1CNc1ncnc2c1CCC2	764934790	LYCITANOSHSGME-UHFFFAOYSA-N	320.190	3.046	10	20	DGCD	
CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(O)c1O	770506243	OMWZKGZKEGJWCF-OLZOCXBDSA-N	309.431	3.200	10	20	DGCD	
CCC(CC)(CC)NCc1ccc(N2CCN(C)CC2)cc1	771841541	JDCRWMVYSYTCCH-UHFFFAOYSA-N	303.494	3.497	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1	773393512	WWYYZWGASMJJIU-YPMHNXCESA-N	311.376	3.301	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](CN3CCCCC3)C2)cc1	773752821	KJMJYAYQJFNXDD-IBGZPJMESA-N	315.505	3.451	10	20	DGCD	
C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccc(N(C)C)cc1	775403427	IPZSHAKUYVURNS-JKSUJKDBSA-N	317.477	3.194	10	20	DGCD	
CC[C@H](NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1O	775504315	XKDWXNWWDHYGRK-AEFFLSMTSA-N	318.461	3.076	10	20	DGCD	
C[C@@H](NCCCCCn1cccn1)c1ccc(N(C)C)cc1	775834035	JCVJKFJKEMWPSS-MRXNPFEDSA-N	300.450	3.470	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2cc[nH]c2n1	779381686	OOTMEMCKFSRFRN-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
CCC[C@](C)(NCc1ccc(N(CC)CC)cc1)C(=O)OC	779431433	FINPEWJLSXMVIQ-SFHVURJKSA-N	306.450	3.354	10	20	DGCD	
CCN(CCC(C)(C)C(=O)OC)Cc1ccc(N(C)C)cc1	779519512	MJKQKKHDXTVQGH-UHFFFAOYSA-N	306.450	3.164	10	20	DGCD	
CCOc1cccc(CNC[C@H]2N(C)CCCC2(C)C)c1O	790483895	ACQRKWLMUNPLNE-MRXNPFEDSA-N	306.450	3.001	10	20	DGCD	
C[C@@H](O)C[C@@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1	796343077	PONFNXVEQKXDCD-IAGOWNOFSA-N	324.468	3.498	10	20	DGCD	
CC[C@@H](N[C@H](C(=O)N1CCCC1)C(C)C)c1ccc(F)cc1O	796818543	VBINUGWCYVABJA-WBVHZDCISA-N	322.424	3.219	10	20	DGCD	
CC[C@@H](N[C@H](CO)CC(F)(F)F)c1cccc(Cl)c1O	806149438	SNCXOXWMWMEBDA-GZMMTYOYSA-N	311.731	3.400	10	20	DGCD	
CCC[C@]1(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCOC1	807141847	WPXTVEHVYNVFSD-KSSFIOAISA-N	319.449	3.072	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCc2nnc3n2CCCC3)c1O	808713711	JRKFVHDZTLXOGG-NSHDSACASA-N	320.824	3.133	10	20	DGCD	
Oc1ccc(Br)cc1CNC[C@@H]1C[C@H]2C=C[C@H]1C2	809713560	SZEAQVDITGXVRO-SRVKXCTJSA-N	308.219	3.457	10	20	DGCD	
COc1ccsc1[C@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817943866	WEHKLBRCWVTNDS-WFASDCNBSA-N	319.474	3.173	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC[C@H]3CC=CCC3)C2)cc1	818221780	SZSOWYAIBQTKKT-IRXDYDNUSA-N	300.446	3.467	10	20	DGCD	
CC(C)(C)CCCCN1C(=O)CN(Cc2ccccc2O)C1=O	819167517	CXOAXGYEWDNSQE-UHFFFAOYSA-N	318.417	3.373	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CC[C@H]3SCCS[C@H]13)CC2	834697186	HBUUCTSCBAYXJN-ZNEHSRBWSA-N	307.484	3.349	10	20	DGCD	
CC(C)[C@@H]1C[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	838761678	WXPABUQPVOWULG-ZWKOTPCHSA-N	315.461	3.471	10	20	DGCD	
COc1ccnc(CN2CCCc3cc(OC)cc(OC)c32)c1	839656661	QOXGNASMWSSTMQ-UHFFFAOYSA-N	314.385	3.060	10	20	DGCD	
CC[C@H](CNC(=O)c1ccc(C)c(O)c1O)CC(F)(F)F	840514444	IZEYKFFDHLZNMK-VIFPVBQESA-N	305.296	3.115	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1nnc(C2CC2)s1	840973330	JJYOHXNCYOWQJA-UHFFFAOYSA-N	302.447	3.080	10	20	DGCD	
COc1cc(C)ccc1/C=C1\SC(=S)N(C2CC2)C1=O	841497354	WGRRBYFLXDMXLK-JYRVWZFOSA-N	305.424	3.367	10	20	DGCD	
CC1(C)CN(C(=O)NCCc2ccc(N)cc2)c2ccccc21	841960468	RMYIVRAJFKGEOU-UHFFFAOYSA-N	309.413	3.319	10	20	DGCD	
COc1ccc(N(C)Cc2cc(OC)c(OC)cc2OC)cc1	845998024	ISTRFVVIUXVZEL-UHFFFAOYSA-N	317.385	3.357	10	20	DGCD	
COc1cccc([C@H](C)NCCOc2ccc(Cl)cn2)c1O	846152425	AUPOTLRKDDOQAG-NSHDSACASA-N	322.792	3.179	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC(=O)CC23CCC3)c1O	846991884	FCOWDRNXHVGBOV-UHFFFAOYSA-N	321.804	3.336	10	20	DGCD	
CCc1cccc(CNCc2cc(OC)ccc2OC)c1O	848893034	NSEYUSSGLMQRQM-UHFFFAOYSA-N	301.386	3.262	10	20	DGCD	
CN(C)c1cc(F)c(CN(CCO)Cc2ccccc2)cc1F	862212629	UFJMDTPPDGSIEW-UHFFFAOYSA-N	320.383	3.025	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC(C)(C)CC[C@@H]2CO)cc1F	864053897	PTHMSXBLYRVNKV-CYBMUJFWSA-N	312.404	3.014	10	20	DGCD	
Cc1ncc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)s1	866077411	TXVXYVZOSJQPGQ-LLVKDONJSA-N	318.446	3.078	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC(NC3CCC3)CC2)cc1F	897982964	SRSBECDQCDJMSU-UHFFFAOYSA-N	323.431	3.137	10	20	DGCD	
CSCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	917932416	PLRNFJFYBMPBDK-UHFFFAOYSA-N	306.406	3.326	10	20	DGCD	
C[C@H]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1	919896656	HODOCISTJIETSR-HOCLYGCPSA-N	303.450	3.378	10	20	DGCD	
CCCC(=O)N1CCCC[C@H]1CNCc1ccc(OC)c(C)c1	959849157	XVYPYLCYRJFPMV-KRWDZBQOSA-N	318.461	3.274	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@@H](C)N(C(=O)C=C(C)C)C2)cc1C	987918985	PFZNQPLFSIKPDW-NVXWUHKLSA-N	316.445	3.049	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)CCCF)cc1C	1135212377	WIFCQPZLULORNF-LSDHHAIUSA-N	324.440	3.126	10	20	DGCD	
CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N)cc1	1335737007	JJDFKWWZAHTEGK-UKRRQHHQSA-N	305.422	3.168	10	20	DGCD	
Nc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1	1336284505	AEOJCIKOPCDHKM-RTBURBONSA-N	314.404	3.496	10	20	DGCD	
Cc1ccccc1NC(=O)[C@H](C)Sc1ncc(C(=O)O)s1	1600582516	UENAQTMMTWCDDO-VIFPVBQESA-N	322.411	3.269	10	20	DGCD	
COc1cc(C)c(CN2CCC[C@H](C(C)(C)C(=O)O)C2)c(O)c1	1607148600	KFWSPWVDZCLHSD-ZDUSSCGKSA-N	321.417	3.032	10	20	DGCD	
Cc1ccsc1CNC(=O)NCc1ccc(N(C)C)c(F)c1	58557898	ZHJKYBHJPFOVCQ-UHFFFAOYSA-N	321.421	3.261	10	20	DGCD	
CC(C)CC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1	84585507	HRCLKDIUSPVZEK-UHFFFAOYSA-N	318.461	3.212	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c1	126048426	CTJBMMQCDTVMKY-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
CCOC(=O)c1nc(CN(C)c2ccc(OCC)cc2)cs1	150732766	FTVDPPJGAGNIBN-UHFFFAOYSA-N	320.414	3.355	10	20	DGCD	
Oc1cccc(Cl)c1CN[C@@H]1CCO[C@@]2(CCSC2)C1	151389803	CTQOBBZTVCKXQU-ABAIWWIYSA-N	313.850	3.190	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccccn1)c1ccc(N2CCOCC2)cc1	152308377	WIOMOSBVIUSWJW-HOTGVXAUSA-N	311.429	3.330	10	20	DGCD	
CCc1nc(NC(=O)NCc2cccc(OC)c2O)sc1C	174344643	JZRQUWDDIPYVSN-UHFFFAOYSA-N	321.402	3.050	10	20	DGCD	
CCN(CC)c1ccc(CNc2nc(CCOC)ns2)cc1	176819317	RRLOGYFOJNRXFH-UHFFFAOYSA-N	320.462	3.185	10	20	DGCD	
C[S@@](=O)C[C@@H](NCc1cccc(Cl)c1O)c1ccccc1	182099787	IJYKAEOPHJBUSM-QVKFZJNVSA-N	323.845	3.255	10	20	DGCD	
Cc1ccc([C@H](C)NCCC(=O)N2CCCCC2)c(O)c1C	273427575	URQHDYILTRSKPZ-HNNXBMFYSA-N	304.434	3.062	10	20	DGCD	
Cc1cncc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c1	274613821	OACGMNMDQFIQMD-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnn(CCC)c1	282367017	BUYZUMXIVPWSQD-UHFFFAOYSA-N	315.417	3.441	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCO[C@@H](C)C1	283536153	GTGDNVUEUVRHAA-HOCLYGCPSA-N	320.433	3.271	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](c2nncn2C)C(C)C)cc1	285617963	WIOQJCJALWUMIQ-KRWDZBQOSA-N	315.465	3.148	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F	287797300	ZQGLHZBTIGGCPC-NSHDSACASA-N	315.339	3.037	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H](O)c1c(F)cccc1Cl)CC2	296851384	NFZJJSOQHUWQIS-DZGCQCFKSA-N	321.779	3.495	10	20	DGCD	
COC[C@@H]1CCCCN1Cc1cccc(Br)c1O	307778921	OUJXWSSVBLNNJJ-LBPRGKRZSA-N	314.223	3.156	10	20	DGCD	
Cc1ccc([C@@H](C)NC2CCN(C(=O)C(C)(C)C)CC2)c(O)c1	320153769	JVIAYRHARFFHIF-CQSZACIVSA-N	318.461	3.388	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c1O	377834123	JEKZWTZMFQFTOX-HZPDHXFCSA-N	319.445	3.430	10	20	DGCD	
Cc1c(CNCCC(=O)Nc2cccnc2)n(C)c2ccccc12	575175291	PUTSQKHDDVXVKG-UHFFFAOYSA-N	322.412	3.000	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1	701861691	WCPWWLMGGFHRBM-ZDUSSCGKSA-N	308.422	3.046	10	20	DGCD	
C[C@@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)O	737717974	QRVYVKAJDTUDIE-SNVBAGLBSA-N	314.297	3.438	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccccc1O)c1ccccc1OC	748461499	YOTSCFRBWPUKMQ-OAHLLOKOSA-N	314.385	3.351	10	20	DGCD	
C[C@H]1CCCCN1CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756363666	QCZQDTLRLTUVAM-UONOGXRCSA-N	321.421	3.216	10	20	DGCD	
Cc1ccc([C@H](C)NCCCOCC2CCOCC2)c(O)c1C	756602796	FODNKNYDLMABIX-INIZCTEOSA-N	321.461	3.493	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC(C)(C)CCOC)cc1	757171706	LYVXKPCSBVRCDL-UHFFFAOYSA-N	321.465	3.147	10	20	DGCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)c2ccccc21	768462492	LYURVGAVWMBGRU-SGTLLEGYSA-N	311.381	3.332	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1	773802502	VOBBRSHYHXSQIZ-LPHOPBHVSA-N	312.461	3.422	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H]2CCCCN2C2CC2)c1O	775158127	NROYBYLWLRDJKF-HNNXBMFYSA-N	324.852	3.161	10	20	DGCD	
COc1ncc(/C=C/C(=O)N2CCCCCc3ccccc32)cn1	775866834	MFTHOTJAMHDCOW-ZHACJKMWSA-N	323.396	3.258	10	20	DGCD	
C[C@H](NC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C)c1ccc(N(C)C)cc1	776268718	FNUNESBEBHLWES-XUWVNRHRSA-N	317.477	3.191	10	20	DGCD	
Cc1cc(C)c(C(=O)COC(=O)c2cccc(O)c2O)cc1C	776283053	FZIHIZHDHBWTTQ-UHFFFAOYSA-N	314.337	3.063	10	20	DGCD	
CN(c1ccc(CNC(=O)C(C)(C)CO)cc1)C1CCCCC1	776342913	LYLQZDXCJCIQGU-UHFFFAOYSA-N	318.461	3.090	10	20	DGCD	
CC(C)(C(=O)NCc1c(O)ccc2c1CCCC2)c1cccnc1	778389316	GTOAYOGIDVQUPI-UHFFFAOYSA-N	324.424	3.260	10	20	DGCD	
Cc1cc(-n2ccnc2)ccc1COC(=O)c1cc(O)cs1	791380817	CHWMNMZKOFBLRB-UHFFFAOYSA-N	314.366	3.305	10	20	DGCD	
CN(C)c1ccc(CNC[C@]2(C)CCOC2)c(C(F)(F)F)c1	792984954	LTDKYRYUTNMVHT-HNNXBMFYSA-N	316.367	3.288	10	20	DGCD	
CSc1cccc(F)c1CNC(=O)c1ccc(C)c(O)c1O	804141513	BYXSLBQFOJGMKC-UHFFFAOYSA-N	321.373	3.197	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC(C)(C)C(=O)OCC	806734587	AISBEEWDJWHHHW-UHFFFAOYSA-N	321.417	3.110	10	20	DGCD	
CCN(CCCOc1ccc(N(C)C)cc1)CC(F)(F)F	810000903	QNBPZBKUSQNLBX-UHFFFAOYSA-N	304.356	3.406	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCCOCC2CCOCC2)c(O)c1	815582559	JKUHPEGTPDRIMO-MRXNPFEDSA-N	321.461	3.493	10	20	DGCD	
Oc1c(CNC[C@H]2CSCCS2)ccc2ccccc12	816556812	UVIGFWCOXDDNDN-AWEZNQCLSA-N	305.468	3.484	10	20	DGCD	
CCC[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cccnc1	817942911	RMZKZJRKYOUDFF-RBUKOAKNSA-N	312.461	3.278	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2ccc(CCN)cc2)cc1	817948908	MGSQEFBJFKQXTQ-INIZCTEOSA-N	311.473	3.495	10	20	DGCD	
C[C@@H](NCC1=CCNCC1)c1ccc(N2CCCCC2)c(F)c1	817968070	NZSNURLUFYVMKJ-OAHLLOKOSA-N	317.452	3.386	10	20	DGCD	
CC[C@@H](NCc1nn(CC)nc1C)c1cc(Cl)ccc1O	818344275	BGTZHNDQBVKJPB-CYBMUJFWSA-N	308.813	3.206	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C	831527001	BBBYJJATGTWFIX-MEBBXXQBSA-N	311.809	3.105	10	20	DGCD	
C[C@H](NC[C@H](O)Cc1cccc(F)c1)c1cc(Cl)ccc1O	834828552	VNSBKQATIJQIPM-XHDPSFHLSA-N	323.795	3.439	10	20	DGCD	
Oc1cc2c(cc1CN1C[C@]3(CCCO3)[C@H]1C1CC1)CCCC2	840100476	YSUJLUOIPGPDFD-WOJBJXKFSA-N	313.441	3.414	10	20	DGCD	
COc1ccc(CN[C@@H](CC(=O)O)Cc2ccccc2)cc1C	841800195	IVMAHHQZXJYDCH-QGZVFWFLSA-N	313.397	3.179	10	20	DGCD	
Oc1ccccc1CN(Cc1cc2n(n1)CCC2)C1CCCC1	844297889	UNSDJYDMDOMIHA-UHFFFAOYSA-N	311.429	3.480	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCc3ccccc3NC2=O)c(O)c1	848559199	QLOVLAPNQUDHAC-DYVFJYSZSA-N	310.397	3.305	10	20	DGCD	
CCc1cccc(CN[C@H](C)[C@@H](O)c2cccc(F)c2)c1O	848898850	ZFXRVTBWAMGMJH-SJKOYZFVSA-N	303.377	3.305	10	20	DGCD	
COc1ccc(CNC[C@H]2CCCN(CC3CC3)C2)cc1C	853093984	VTIVCRUMGUTVQJ-GOSISDBHSA-N	302.462	3.215	10	20	DGCD	
Oc1ccccc1CN(Cc1ccns1)C[C@@H]1CCCO1	876532067	XOGSGFIRORYMIG-AWEZNQCLSA-N	304.415	3.030	10	20	DGCD	
Cc1ccc(O)c(CN2CC[C@]3(CC(=O)c4ccccc4O3)C2)c1	877590479	ZYFFHFQQLLHNKC-FQEVSTJZSA-N	323.392	3.311	10	20	DGCD	
CN(C)[C@@H](CNCc1cc(F)cc(F)c1O)c1cccc(F)c1	882878129	RCTLSZTVSDNVDJ-INIZCTEOSA-N	324.346	3.202	10	20	DGCD	
CCO[C@@H](C)c1nc(-c2cn(-c3ccc(N)cc3)nn2)cs1	887486326	LXGIFQGUKURMKH-JTQLQIEISA-N	315.402	3.071	10	20	DGCD	
CCN(CCC(F)(F)F)Cc1ccc(OC)c(OC)c1O	891860877	DENASOIMEPDSJQ-UHFFFAOYSA-N	307.312	3.184	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(C)ccc2F)c(O)c1OC	894048246	VGGKILKIPZXTSN-UHFFFAOYSA-N	319.376	3.489	10	20	DGCD	
CCN(CC)c1ccc(CN(C[C@H](C)C(=O)O)C2CC2)cc1F	901992388	HYJREYIAGROYOT-ZDUSSCGKSA-N	322.424	3.357	10	20	DGCD	
Cc1cc(C(=O)OC[C@H]2CCOC2)c(C)n1-c1ccc(F)cc1	918834677	YNQKEJYHVCWTQZ-AWEZNQCLSA-N	317.360	3.427	10	20	DGCD	
CCC/C(C)=C/C(=O)NCc1ccc(N2CCOCC2)c(F)c1	920223024	YMIVYAKBMZZPDJ-SDNWHVSQSA-N	320.408	3.025	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)C3(Cl)CC3)C2)cc1	926610914	GZCLWLVDHITRJH-UONOGXRCSA-N	308.853	3.271	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(O)c1	931146635	OIGCNBAUDNTOEQ-GFCCVEGCSA-N	316.376	3.017	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN(C[C@H]1CCOC1)C1CC1	1319932828	VKSOMTJNMBKGQZ-QGZVFWFLSA-N	300.446	3.288	10	20	DGCD	
OCCN(Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	1321041770	AXSPGQYIYAJXII-CMKODMSKSA-N	314.473	3.270	10	20	DGCD	
CC1(C)C[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1518062339	SGPKOARAPOCXPV-QMMMGPOBSA-N	309.753	3.020	10	20	DGCD	
Clc1cnc(SCc2ccccc2-c2nn[nH]n2)s1	1592539491	ZQIHUJAFRWZOGG-UHFFFAOYSA-N	309.807	3.269	10	20	DGCD	
CN(Cc1nc(C(C)(C)C)co1)c1ccc(OCC(=O)O)cc1	1606175527	ICFCOJSXVGBTMY-UHFFFAOYSA-N	318.373	3.072	10	20	DGCD	
CN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S	1129622	PARGYFRAUPQJOJ-TWGQIWQCSA-N	301.339	3.119	10	20	DGCD	
CCCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	53954698	BQJKCMKBQMASPU-MRXNPFEDSA-N	320.433	3.273	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCc2ccco2)cc1	55328870	QUDMSGMBAHQMNO-UHFFFAOYSA-N	301.390	3.125	10	20	DGCD	
CCOc1cccc(CN(C)CCOc2ccccc2F)c1O	121519274	MXMZPTYQYUNTDE-UHFFFAOYSA-N	319.376	3.441	10	20	DGCD	
COC(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	159183700	RNYRQKRQDXUTBB-UHFFFAOYSA-N	316.445	3.062	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccoc1	178536548	OMDOBFSDBLMOCE-CYBMUJFWSA-N	318.392	3.231	10	20	DGCD	
Oc1ccccc1CN1CCC(CCCN2CCCC2)CC1	179582285	ZILNKAOOYRXOIB-UHFFFAOYSA-N	302.462	3.480	10	20	DGCD	
CC[C@@H](CSC)NC(=O)N(CC)Cc1ccc(N(C)C)cc1	179978603	WQYQZXJIHLYPHW-HNNXBMFYSA-N	323.506	3.426	10	20	DGCD	
Cc1ccc(NCc2ccccc2O)cc1-c1nnnn1C1CC1	184343574	SGONUSZNXXOYKO-UHFFFAOYSA-N	321.384	3.301	10	20	DGCD	
COC[C@H](C)CN[C@@H](C)c1ccc(Br)cc1O	185149077	XDZRIMIDHXBUQF-ZJUUUORDSA-N	302.212	3.088	10	20	DGCD	
Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(O)c2O)s1	188436509	GHQHBCUCALQUCP-VIFPVBQESA-N	306.387	3.004	10	20	DGCD	
COc1cc(O)c(CN[C@H](C)CCc2ccco2)cc1OC	271912496	MPHMOJCFAMCGDS-GFCCVEGCSA-N	305.374	3.113	10	20	DGCD	
COc1cc(O)c(CN[C@H]2CCO[C@H](CC(C)C)C2)cc1OC	272010176	CIOSQJVRUCNABB-LSDHHAIUSA-N	323.433	3.093	10	20	DGCD	
C[C@H](c1ccccc1)N(CCn1cncn1)Cc1ccccc1O	272096206	YYHDQRVEFYNJFL-MRXNPFEDSA-N	322.412	3.247	10	20	DGCD	
C[C@@H](NC[C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O	273427538	UQCMOPPVOFCQLN-TZMCWYRMSA-N	321.367	3.172	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)CCCC(=O)O)cc1F	277177963	FBNAQLQRQRQPLI-CYBMUJFWSA-N	310.413	3.405	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c(C(F)(F)F)c1	280858218	LVLFQHCLALUFGE-YUELXQCFSA-N	314.351	3.181	10	20	DGCD	
COCC[C@H](CO)N[C@H](C)c1ccc(N2CCCCCC2)cc1	281721260	UOQFAPJLAZNCAC-SJLPKXTDSA-N	320.477	3.115	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCC1CC(F)(F)C1	291576275	FMOKHXICORRVRC-UHFFFAOYSA-N	323.387	3.131	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)c3ccsn3)cc2)CC1	294493253	FAQOKGBDPGJZNG-UHFFFAOYSA-N	315.442	3.309	10	20	DGCD	
COC[C@H]1CCCCN1Cc1cc(Br)ccc1O	307768695	HTCNUDQREIVWKP-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
CC[C@H](C)[C@H](CNCc1cccc(Br)c1O)OC	381108989	BUAICGQWJJMSQK-GWCFXTLKSA-N	316.239	3.305	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(=O)O)ccc2OC)cc1	387277227	JLIHTZWABMBLGY-UHFFFAOYSA-N	301.342	3.038	10	20	DGCD	
O=C(NCc1ccc(OC2CCCC2)nc1)c1cc(O)cs1	731872155	XOKJPAIVFUKKRH-UHFFFAOYSA-N	318.398	3.100	10	20	DGCD	
Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc(O)cs1	732277321	DVXAEROGEOTICK-GFCCVEGCSA-N	305.399	3.268	10	20	DGCD	
Cc1ncc(/C=C/C(=O)N2C[C@H](C)Oc3ccccc32)s1	732741024	GVOVZYNWFFWRSF-AEZGRPFRSA-N	300.383	3.279	10	20	DGCD	
CN(C)C(=O)Sc1ccc(NC(=O)c2cc(O)cs2)cc1	733362630	UQMCLOJUCQECBY-UHFFFAOYSA-N	322.411	3.480	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(C(C)(C)C)on2)cc1F	741914704	JSZZMVRYEDZMFN-UHFFFAOYSA-N	319.380	3.107	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cn1ccnc1S	743350062	IHOAZBJGUPFCHX-UHFFFAOYSA-N	304.463	3.106	10	20	DGCD	
CC[C@H](O)CCCNC(=O)c1sccc1-n1c(C)ccc1C	748550376	KWOAQCLACXCMGI-AWEZNQCLSA-N	320.458	3.437	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H]([C@H]3CCOC3)C2)c1	749799941	PZUYCYIFTWIBMD-KBPBESRZSA-N	319.445	3.254	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@H](C)C2)cc1F	752010357	OUDRDUJTKYFCHZ-ZIAGYGMSSA-N	321.440	3.469	10	20	DGCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1nc(C2CCCCC2)no1	752808496	VGSMISXVWLFIAZ-SECBINFHSA-N	321.402	3.375	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2O)cc1O	756523246	BFYXUBLFGULZKD-VIFPVBQESA-N	309.312	3.235	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1cc(F)cc(F)c1O	756586435	RRWDAFSPYDYNGS-PSLIRLAXSA-N	319.355	3.497	10	20	DGCD	
COc1cccc(O)c1CNC[C@](C)(O)c1cccc(Cl)c1	764980128	QFYOCTBJUIJKAU-KRWDZBQOSA-N	321.804	3.052	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1c1cccs1)[C@H](O)CO2	768442099	OUXNDXDYGKQGSR-UKRRQHHQSA-N	317.410	3.217	10	20	DGCD	
CCO[C@H]1C[C@H](N(C)Cc2cc(OC)c(C)cc2O)C1(C)C	768445646	HXFALVAPFCUJGB-IRXDYDNUSA-N	307.434	3.345	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@@H](N2[C@@H](C)CC[C@H]2C)C1	768913121	FNZKBBRRKADQDI-OWCLPIDISA-N	318.461	3.238	10	20	DGCD	
CSc1cc(CNCc2ccc(N(C)C)c(F)c2)ccn1	771894412	JIDPZEIOBYHPLQ-UHFFFAOYSA-N	305.422	3.298	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccc(C(C)=O)o2)cc1	772124177	PZCKESXAGVDPIY-UHFFFAOYSA-N	314.385	3.258	10	20	DGCD	
C[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773018279	YNFRZKFKDKKTFU-GJZGRUSLSA-N	312.413	3.397	10	20	DGCD	
CCC(CC)C(=O)N1CCN(Cc2cccc(Cl)c2O)CC1	775651266	LJMHTVJTKOREMI-UHFFFAOYSA-N	324.852	3.126	10	20	DGCD	
C[C@H](NCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(N(C)C)cc1	775829942	BEMNUBYAXSGBMQ-JYJNAYRXSA-N	317.477	3.193	10	20	DGCD	
COc1ccc2c(c1)CC[C@H](NCc1cccc(OC)c1O)C2	784625088	VFYVLJLVYBELGE-INIZCTEOSA-N	313.397	3.057	10	20	DGCD	
CC(C)[C@@H](CNCc1cccc(Cl)c1O)c1ccnn1C	788266172	LASNZDZLHWCZDT-CYBMUJFWSA-N	307.825	3.309	10	20	DGCD	
C[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1	798393724	YEVYUYRIRWFJRI-JSGCOSHPSA-N	307.413	3.127	10	20	DGCD	
CC[C@@H](NCC[C@@H](O)COC)c1cc(Cl)cc(Cl)c1O	806149760	HHJGOHGNMCLDGM-ZWNOBZJWSA-N	322.232	3.137	10	20	DGCD	
C[C@@H](NC[C@H](CO)c1ccc(Cl)cc1)c1ccccc1O	806180534	OXVOEXWHIPLADR-TZMCWYRMSA-N	305.805	3.472	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cncs1	807839938	NFLLUNSDXHFQHJ-UHFFFAOYSA-N	303.170	3.086	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCc2ccc(C)n(C)c2=O)c1O	808716670	SFDOZBCFNAGTEE-GFCCVEGCSA-N	320.820	3.212	10	20	DGCD	
O[C@H]1CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	809538881	UWPGBYFXAIZRMY-FQEVSTJZSA-N	322.452	3.206	10	20	DGCD	
CC[C@H](NCC(C)(C)CO)c1ccc(C(F)(F)F)cc1O	810228040	PVIXYPPFPJBYCS-LBPRGKRZSA-N	305.340	3.470	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCc2cnccc2C)c1	813330629	BHDOXRRRSGXACN-CQSZACIVSA-N	300.402	3.388	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)[C@]3(C)CCCO3)CC2)cc1	815573252	DGKNVPDKLBXRQQ-BEFAXECRSA-N	318.461	3.211	10	20	DGCD	
CCC[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccccn1	817944097	XHEUYSWYRCETRA-QZTJIDSGSA-N	312.461	3.278	10	20	DGCD	
C[C@@H](NCCc1ccc(N)cc1)c1ccc2c(c1)CCC(=O)N2	817956236	UODWRXZVRHJBMH-CYBMUJFWSA-N	309.413	3.047	10	20	DGCD	
CCC(C)(C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819583853	ASCYKKOGCIPGFV-HNNXBMFYSA-N	318.461	3.464	10	20	DGCD	
Cc1cc(O)c(CN2CCC(NC(=O)C(C)C)CC2)cc1Cl	824560226	DFLQMNAERQWVFP-UHFFFAOYSA-N	324.852	3.091	10	20	DGCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCCc3ccccc32)cc1	841708288	JNFYXDOGTCTXLZ-KRWDZBQOSA-N	323.440	3.231	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCN(CC(F)F)C2)c2c(O)ccc(F)c21	841765371	RCBXEVXYDDIVRJ-SCVCMEIPSA-N	314.351	3.009	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1cc(C)no1	846096142	UVEKXPYEZZHBEV-UHFFFAOYSA-N	302.374	3.060	10	20	DGCD	
COc1cccc([C@@H](C)NCCOCc2ccccc2)c1O	846144498	HETPQTNHOVPTKG-CQSZACIVSA-N	301.386	3.268	10	20	DGCD	
COC(=O)C1(C(=O)CSc2ncc(C(C)(C)C)s2)CC1	848432667	NQUDVBSGKJJLJX-UHFFFAOYSA-N	313.444	3.055	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](C)C(=O)OC(C)(C)C)c1	848563860	XZNACCVYHBULSJ-NWDGAFQWSA-N	309.406	3.029	10	20	DGCD	
CC1CCN(C[C@H](C)N[C@@H](C)c2cc(F)cc(F)c2O)CC1	850544121	TUPRETARZZTSTJ-STQMWFEESA-N	312.404	3.441	10	20	DGCD	
c1cc2ccc(CNCc3ccc(N4CCOCC4)cc3)cc2[nH]1	858106711	PEQXKBRXLTZNCL-UHFFFAOYSA-N	321.424	3.294	10	20	DGCD	
COc1cc(C)c(CNCc2cc(C)ccc2O)cc1OC	858237623	NQISMFWZYBBHAO-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
CC(C)c1nnc(NCc2c(O)cccc2Br)o1	865289933	XTSDJZUASJVOKA-UHFFFAOYSA-N	312.167	3.273	10	20	DGCD	
COc1ccc(CNC23CCC(CC2)C3)cc1Cn1cccn1	873105328	ZHHQXJWYKSFLQR-UHFFFAOYSA-N	311.429	3.362	10	20	DGCD	
CSCC[C@@H](C)N(C)Cc1ccc(N2CCC(O)CC2)cc1	876753209	CHMZEPNWMRYHAB-OAHLLOKOSA-N	322.518	3.221	10	20	DGCD	
Cc1cccc(O)c1CN1CCC(Oc2ccc(F)nc2)CC1	877473234	IYOAUPUZQIGRNS-UHFFFAOYSA-N	316.376	3.278	10	20	DGCD	
CC[C@H](CNCc1ccc(C)cc1O)NC(=O)OC(C)(C)C	877561896	MYGLXOYRHGTHBF-CQSZACIVSA-N	308.422	3.094	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](O)c2cc(C)cc(C)c2)c1O	894678731	FUCVBUAWLFZUDP-KRWDZBQOSA-N	315.413	3.149	10	20	DGCD	
CCn1cccc(NCc2ccc(N3CCCCC3)cc2)c1=O	902121430	GXPHBEBIPWBFOZ-UHFFFAOYSA-N	311.429	3.471	10	20	DGCD	
CC[C@@H](NCc1cn(C)cn1)c1cc(Br)ccc1O	903351345	JWAMWQCBMJPNMI-CYBMUJFWSA-N	324.222	3.129	10	20	DGCD	
C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1	903449176	WBJOCSGSIIRFKC-RHSMWYFYSA-N	301.434	3.299	10	20	DGCD	
CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cccc(O)c1O	917500227	YXFGBODMWBRLTF-OAHLLOKOSA-N	318.760	3.338	10	20	DGCD	
COc1ccc(CNCC2CCC(F)(F)CC2)c(O)c1OC	1333762325	NCFYQONOTRWGDL-UHFFFAOYSA-N	315.360	3.325	10	20	DGCD	
CN1CCC[C@H](CCNCc2ccc(N3CCCC3)cc2)C1	1348075601	VLLWBDAOAIDHKD-GOSISDBHSA-N	301.478	3.108	10	20	DGCD	
N[C@@H]1CC=C(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)C1	1580171582	UCEUYCWSAAGSGR-GOSISDBHSA-N	322.383	3.429	10	20	DGCD	
CSc1ccc(CNCc2ccc(C(=O)O)cc2O)s1	1777404569	UTPMWCBFBZHNDS-UHFFFAOYSA-N	309.412	3.164	10	20	DGCD	
CCCOc1ccc(CN(C)[C@@H]2CCN(C)[C@H](C)C2)c(O)c1	93644671	MBCAUUZWXDFRJQ-GDBMZVCRSA-N	306.450	3.096	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCc2c[nH]c3ccccc23)c1	114540781	OEAZBPGIVKKRHC-UHFFFAOYSA-N	324.380	3.131	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccccc2C)c1	114581647	VSIFJKMLGXXRKO-CYBMUJFWSA-N	314.385	3.270	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC(C1CC1)C1CC1	115792013	RLBJNDKXFGMHCJ-UHFFFAOYSA-N	301.434	3.049	10	20	DGCD	
COC(=O)c1cc(CN(C)Cc2cc(Cl)ccc2O)oc1C	122424953	PHDOEIHFDJGWNE-UHFFFAOYSA-N	323.776	3.366	10	20	DGCD	
C[C@@H](NCC(=O)Nc1ccc(F)cc1)c1ccc(N(C)C)cc1	126258118	RTZOZYXKXMQUMR-CYBMUJFWSA-N	315.392	3.181	10	20	DGCD	
Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1Cl	135117271	SOUDGFDIIMOBHX-UHFFFAOYSA-N	320.776	3.424	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCN3CCC[C@@H]3C2)cc1F	152080939	DTVWEKWOXPOSFW-IAGOWNOFSA-N	319.468	3.388	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C/c2ccccc2F)c1	153890087	VASUPBMWBRCTRR-PMDBQALLSA-N	315.344	3.431	10	20	DGCD	
CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCOC1	157427168	MGAGRHLGFWFEDR-BEFAXECRSA-N	318.461	3.069	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)c2ccccc2C)c1	182466299	VEPQYZREZHKTIR-ACJLOTCBSA-N	301.386	3.093	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccccc1	183484526	IUEAQCVDRCIOBD-CYBMUJFWSA-N	313.397	3.123	10	20	DGCD	
Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1	184925907	OKAAGVWQQFIVRL-GFCCVEGCSA-N	300.358	3.159	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC2CCN(C(=O)CC(C)C)CC2)c1	185214938	MJMNTUFRVWTSCR-OAHLLOKOSA-N	318.461	3.388	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@H](C)c1cc(F)ccc1O	186177218	WCOIGHHODUIPQX-LLVKDONJSA-N	305.397	3.240	10	20	DGCD	
C[C@H](N[C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1O	186798064	YYJBEATWRPKHHR-MRCXROJRSA-N	314.223	3.109	10	20	DGCD	
CC[C@H](CNCc1ccc2c(c1)CCO2)NC(=O)OC(C)(C)C	227713280	XOFWIHNKINANSY-OAHLLOKOSA-N	320.433	3.014	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3C=C[C@H](CO)C3)c2C)c1	267274613	WFQZWGATKVQVFJ-DLBZAZTESA-N	324.424	3.069	10	20	DGCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1	268716627	IUYOVVOHGCPEIQ-JKSUJKDBSA-N	317.477	3.242	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NC[C@@H](C)CCO)c1O	275346226	PSMOSFVAZFJOGW-ONGXEEELSA-N	316.239	3.132	10	20	DGCD	
C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1O	282552665	XIZHIDGLKOVDGZ-RNCFNFMXSA-N	307.344	3.132	10	20	DGCD	
Cc1cc(C(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)c(C)n1-c1ccccc1	292315803	TZUMWYSHCVLJLI-IEZWGBDMSA-N	324.424	3.080	10	20	DGCD	
C[C@@H](C(=O)NCc1cccc(Br)c1O)C(C)(F)F	295232205	CYDOUJJDNNAOPC-ZETCQYMHSA-N	322.149	3.062	10	20	DGCD	
C[C@H](NCC(C)(C)c1ccccn1)c1cc([N+](=O)[O-])ccc1O	296225421	ABMJDIFZJIRVMB-LBPRGKRZSA-N	315.373	3.324	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC2(CCCC2)C1	363740076	VJHYSBFOIKNETO-UHFFFAOYSA-N	313.445	3.372	10	20	DGCD	
Cn1ccnc1[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	377891011	ZTDZMPWYAPZYIL-GOSISDBHSA-N	324.472	3.400	10	20	DGCD	
Cc1c(CNC(=O)Cc2cccc(F)c2)n(C)c2ccccc12	471227304	IKRMCORXAUXJHB-UHFFFAOYSA-N	310.372	3.485	10	20	DGCD	
CC(C)OCC(C)(C)NCc1ccc(Br)cc1O	691417689	WPQUSNMXHMYQJB-UHFFFAOYSA-N	316.239	3.448	10	20	DGCD	
O=C(CSc1ccc(Cl)cc1)NCc1ccccc1O	701169198	LUGKPNLTSZFHPQ-UHFFFAOYSA-N	307.802	3.454	10	20	DGCD	
C[C@@H](O)CCCNCc1cc(Cl)cc(Br)c1O	708098273	GQEBMYXNWRVPSS-MRVPVSSYSA-N	322.630	3.059	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)CCN(C)C)c2C)c1	747173641	PQEIPIIHWXJOSM-UHFFFAOYSA-N	313.445	3.036	10	20	DGCD	
CC(C)=C(C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	751200906	YFVYDJBQEXUNJO-INIZCTEOSA-N	303.402	3.256	10	20	DGCD	
CCOc1ccc(CN2CCC([C@H]3CCOC3)CC2)c(O)c1	753576265	QJVIRUYHKBATGX-INIZCTEOSA-N	305.418	3.039	10	20	DGCD	
COC[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(F)cc1O	756637806	PJSSTSIKPQTGRW-BBRMVZONSA-N	303.377	3.440	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1c(F)cccc1F	759587633	BOSXXTRBWZMKBC-ALCCZGGFSA-N	306.264	3.133	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[C@H]1CCOC1	760192117	FYIAHBGKJXYSHF-LSDHHAIUSA-N	320.433	3.129	10	20	DGCD	
COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc(O)cs2)cc1	760458085	FAXOZAOHGJIPGH-SNVBAGLBSA-N	319.382	3.058	10	20	DGCD	
CN1C(=O)/C(=C/c2nc3ccc(F)cc3s2)SC1=S	760989081	KQECHPLVHPJFRY-UITAMQMPSA-N	310.400	3.266	10	20	DGCD	
C[C@@H](CC(=O)NCc1cccc(Br)c1O)C1CC1	765733236	VSLJQNXAVWEQNR-VIFPVBQESA-N	312.207	3.207	10	20	DGCD	
C[C@H](NC(=O)CC[C@H]1CCCCO1)c1ccc(N(C)C)cc1	773028405	ZJEBGSAXKVDEAT-WMLDXEAASA-N	304.434	3.279	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C3=CCCCCC3)CC2)cc1	775765518	LFEIHXSLTAIUNI-UHFFFAOYSA-N	314.429	3.234	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)c1occc1-c1ccccc1	778923165	LSGKMOOUYLWGMH-UHFFFAOYSA-N	309.321	3.288	10	20	DGCD	
Cc1cc2n[nH]cc2cc1NCc1ccc(N2CCOCC2)cc1	790997080	LFHOQJFLXFYFKD-UHFFFAOYSA-N	322.412	3.320	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(CC2CCC2)CC2CC2)c1O	793390897	UKQMZQTVPJZKHT-UHFFFAOYSA-N	320.389	3.321	10	20	DGCD	
C[C@@H](NC(=O)Nc1cncc(F)c1)c1ccc(N(C)C)cc1	799234290	PWRALECVNZCDBB-LLVKDONJSA-N	302.353	3.169	10	20	DGCD	
CCOc1cccc(CNCCC2C[C@@H](C)O[C@H](C)C2)c1O	801732827	YMWYVHYSPCQQFS-ZIAGYGMSSA-N	307.434	3.474	10	20	DGCD	
CC(C)SCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	805308271	BCVGHPWJMAOWKC-ZDUSSCGKSA-N	309.479	3.254	10	20	DGCD	
CC1(OCC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1	807841163	UDEIEXKPCFFFOR-UHFFFAOYSA-N	318.200	3.274	10	20	DGCD	
CCOc1cccc(CN[C@@H]2COc3c(C)cccc3C2)c1O	810178206	LGYLAJUAQPGSKM-INIZCTEOSA-N	313.397	3.193	10	20	DGCD	
CC[C@H](NCCc1nnc(C)s1)c1cc(Cl)ccc1O	810243565	QFUDLXZTMNJMLI-LBPRGKRZSA-N	311.838	3.489	10	20	DGCD	
Cc1cc(CCNC(=O)NCc2ccccc2O)ccc1Cl	812915730	JWJAIJHNCXVDAM-UHFFFAOYSA-N	318.804	3.396	10	20	DGCD	
COc1ccc(CCNCc2ccccc2O)c(Cl)c1OC	815145513	XCPXEGJTIVVYNW-UHFFFAOYSA-N	321.804	3.395	10	20	DGCD	
Oc1c(CN2CCN(Cc3ccco3)CC2)ccc2ccccc12	816482723	QDPWGYMUORKMDD-UHFFFAOYSA-N	322.408	3.456	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H]1CCCCN1C1CC1	816592396	IYGKSBSIJWRICK-ZDUSSCGKSA-N	312.816	3.291	10	20	DGCD	
C[C@@H](NCCCNC1CC1)c1cccc(C(F)(F)F)c1O	817984115	NIXBMAOBOHQDLB-SNVBAGLBSA-N	302.340	3.204	10	20	DGCD	
COc1cc(O)c(CN(C)CCc2ccccc2C)cc1OC	824554352	FFMPMFCYRRISIL-UHFFFAOYSA-N	315.413	3.392	10	20	DGCD	
CCOC(CCNCc1cc(Cl)c(C)cc1O)OCC	825657347	DLSIGIKRTJWMRG-UHFFFAOYSA-N	301.814	3.233	10	20	DGCD	
Cc1cc(O)c(CN(C)Cc2nncn2C(C)C)cc1Cl	825991636	LJRIWSQBVSADPV-UHFFFAOYSA-N	308.813	3.158	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C2CCC2)c1O	830234196	BSBXNIVRDCUHTR-MRXNPFEDSA-N	323.820	3.249	10	20	DGCD	
COC(=O)[C@@]1(C)CCCN(Cc2c(O)ccc3ccccc23)C1	840182808	AHQXIOOWTSAOBA-IBGZPJMESA-N	313.397	3.321	10	20	DGCD	
N[C@H](CNCc1ccc(N2CCCCC2)cc1)c1ccccc1	841038095	UGYVVHJCNVJNAH-HXUWFJFHSA-N	309.457	3.467	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(CC(F)F)C1)c1cc2c(cc1O)CCCC2	841766005	XWNSYJWUKSTNOS-IUODEOHRSA-N	324.415	3.261	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC2(CCOCC2)C[C@@H]1C	843430966	KHAQNMGYMXGKKT-INIZCTEOSA-N	302.462	3.452	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](N)C1	843488432	ZPKIFIXDNUUTCP-OLMNPRSZSA-N	324.424	3.219	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](CCO)c2ccccc2F)c1O	846175144	XFEQSVWBKVQCOD-BLLLJJGKSA-N	319.376	3.314	10	20	DGCD	
CC[C@@H](C)CC[C@H](O)CC(=O)NCc1cc(Cl)ccc1O	846473514	MRACJDBYJYPNHH-RISCZKNCSA-N	313.825	3.239	10	20	DGCD	
C[C@@H](NC(=O)N[C@H]1C[C@@]1(C)c1ccccc1)c1ccccc1O	868308890	CTNBHDVQZNFSLK-FMEYXAORSA-N	310.397	3.483	10	20	DGCD	
COc1ccc(N(C)C[C@@H](OC)C2CCOCC2)cc1Cl	877182253	WQZGHDPJVRBNEV-MRXNPFEDSA-N	313.825	3.226	10	20	DGCD	
COc1ccc(CN[C@@H](C)[C@H](OC)c2ccccc2)c(O)c1	877493834	PDDBSXZVMRTFKC-UGSOOPFHSA-N	301.386	3.267	10	20	DGCD	
Cc1cccc(O)c1CN1CC[C@@]2(CC(=O)c3ccccc3O2)C1	877589001	FCHMTKFFECZCKU-HXUWFJFHSA-N	323.392	3.311	10	20	DGCD	
Cc1cccc(O)c1CN1CC2(CCC2)[C@H]1C1CCOCC1	877600121	KDQYEEYYXIGHLW-GOSISDBHSA-N	301.430	3.482	10	20	DGCD	
CC(C)(O)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	877796717	KOQUSEARFDZZSZ-NSHDSACASA-N	301.789	3.168	10	20	DGCD	
O=C1/C(=C/c2ccc(Cl)cn2)SC(=S)N1C1CCC1	887272116	HHBKZROQFULCNV-WDZFZDKYSA-N	310.831	3.489	10	20	DGCD	
COc1ccc(CN2Cc3ccccc3C[C@H]2C)c(O)c1OC	892112117	PNNBPNIMHDIHMG-CYBMUJFWSA-N	313.397	3.356	10	20	DGCD	
Cc1nc(CC2CCN(Cc3cccc(Cl)c3O)CC2)no1	896550895	GSBVXRMMSKUUTQ-UHFFFAOYSA-N	321.808	3.192	10	20	DGCD	
CCC1(C(=O)NCCCNCc2ccc(OC)c(C)c2)CCC1	1164244780	NSBYEFQZDABCLK-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
NC(=O)CCc1ccc(NCc2c(O)ccc(Cl)c2F)cc1	1324513169	BXJUJEYDFLWTCA-UHFFFAOYSA-N	322.767	3.215	10	20	DGCD	
C[C@@H]1CCc2sc(C(=O)NCc3cccc(O)c3O)cc2C1	1350300206	OAZSOEFZQGUSNA-SNVBAGLBSA-N	317.410	3.214	10	20	DGCD	
CC(C)(C(=O)O)[C@@H]1CCCN(Cc2ccc(Cl)cc2O)C1	1589616119	HAPAWRRZEWBLRP-GFCCVEGCSA-N	311.809	3.368	10	20	DGCD	
CC(C)(C)c1cnc(SCc2cnc(C(=O)O)cn2)s1	1590527151	UUCWRFWLDVSSIJ-UHFFFAOYSA-N	309.416	3.221	10	20	DGCD	
C[C@@H](NCCC[C@H]1CCCCO1)c1cc(C(=O)O)ccc1O	1593264428	KIHFAABAYPMXHY-TZMCWYRMSA-N	307.390	3.090	10	20	DGCD	
c1ccc(-c2nn[nH]n2)c(NCc2ccc(N3CCCC3)cc2)c1	1593568810	DJMSTKSHLFRWMT-UHFFFAOYSA-N	320.400	3.079	10	20	DGCD	
COc1cc(NCc2cc(C)c(C)cc2O)ccc1C(=O)O	1599443278	FOOLKMOJVKUTGO-UHFFFAOYSA-N	301.342	3.328	10	20	DGCD	
O=C(O)c1ccc(CNCc2c(O)cccc2F)cc1Cl	1608887696	VOVAZXLOUFRIPN-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
COc1ccc(CNC[C@H](C)NC(=O)C[C@@H](C)C2CC2)cc1C	1754296759	YOUWEHOGOOOVEO-HIFRSBDPSA-N	318.461	3.034	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2c(F)cccc2Cl)cc1	8170804	UKIFHIFYZSOCJP-UHFFFAOYSA-N	320.795	3.404	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1c(C)noc1C	66701537	BEZVTCRWKJIIPA-UHFFFAOYSA-N	317.389	3.119	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ncc[nH]3)c2C)c1	114124326	JACLOLUTODDGTN-UHFFFAOYSA-N	308.385	3.056	10	20	DGCD	
Cc1ncc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c(C)n1	122435860	VJHGBKBINJVUHG-NSHDSACASA-N	302.397	3.149	10	20	DGCD	
Oc1c(Br)cccc1CNC1CCSCC1	122728826	LCEZRQZAKHSQQA-UHFFFAOYSA-N	302.237	3.140	10	20	DGCD	
C[C@H](NC(=O)NCCCSc1nccs1)c1cccnc1	151751702	YMLPCXBTRUZKKM-NSHDSACASA-N	322.459	3.081	10	20	DGCD	
CS[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1	172363677	DUANBWYXXQUVQR-QGZVFWFLSA-N	314.454	3.473	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2ncco2)c1	181259192	KGZGAXVFTMQSLF-FNORWQNLSA-N	322.320	3.405	10	20	DGCD	
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2F)c(C)c1	181625603	GFENLUBTPOTAQH-UHFFFAOYSA-N	309.362	3.257	10	20	DGCD	
CN(Cc1ccccc1)[C@@H](CNCc1ccccc1O)C1CC1	185222677	IHJJEPVIGNQVSF-IBGZPJMESA-N	310.441	3.392	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)NCc2cccs2)cc1	191579022	XHOOGGADCWHNJR-UHFFFAOYSA-N	318.442	3.288	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2ccc(N(C)C)nc2)cc1	268742023	DGDIIHNNSBBYHX-OAHLLOKOSA-N	312.461	3.455	10	20	DGCD	
Cc1cccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O	271826993	OBCFBGVAXAQNGA-OAHLLOKOSA-N	313.401	3.341	10	20	DGCD	
C[C@@H](N[C@H](C)c1ncnn1C)c1ccc(N2CCCCC2)cc1	276539327	DIOSSHGKDBYAFR-HUUCEWRRSA-N	313.449	3.217	10	20	DGCD	
CCCOc1ccc(CNc2ncnn2C(C)(C)C)c(O)c1	282521192	GLHQUWMQOAFUJV-UHFFFAOYSA-N	304.394	3.140	10	20	DGCD	
CN(C)[C@H](CN[C@@H]1CCc2cccc(O)c21)c1cccc(F)c1	295883032	HUWAXRVTNDZLGR-IAGOWNOFSA-N	314.404	3.411	10	20	DGCD	
Oc1cccc2c1[C@H](NC1CCN(Cc3ccncc3)CC1)CC2	296123256	VLIQDSRVMCTMRK-GOSISDBHSA-N	323.440	3.029	10	20	DGCD	
O=C(N[C@H]1CCCc2sccc21)c1c(F)ccc(O)c1O	296432727	YOYVTNYXVHVPKV-JTQLQIEISA-N	307.346	3.106	10	20	DGCD	
Cc1ccnc(NCc2c(O)ccc3c2CCCC3)c1[N+](=O)[O-]	301472695	UPGQQUCXKPCRIL-UHFFFAOYSA-N	313.357	3.495	10	20	DGCD	
CCCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCC1	356014094	PYTJITRLWJHROZ-UHFFFAOYSA-N	302.418	3.448	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@H](C)C2)cc1	363446862	PUKMVMVARCWDEC-AWEZNQCLSA-N	312.413	3.203	10	20	DGCD	
COc1ccc(N2CCC(NC[C@@H](O)CC(C)(C)C)CC2)cc1	364460137	TVQCVMCMYANCGL-KRWDZBQOSA-N	320.477	3.051	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CN[C@@H]1CCSC1	708190701	MZCWIDLJYHOXCY-SECBINFHSA-N	322.655	3.403	10	20	DGCD	
CCC[C@@H](O)CC(=O)N(Cc1ccco1)Cc1ccccc1O	752088205	VYFIAEZOINSBMB-OAHLLOKOSA-N	317.385	3.065	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCOC3(CCOCC3)C2)c1	756765474	OSTFVSLNOACGPW-GJZGRUSLSA-N	305.418	3.079	10	20	DGCD	
CC(=O)Nc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	756865964	VWKMNRHVBAJKTI-SNVBAGLBSA-N	315.329	3.432	10	20	DGCD	
C[C@H](NCc1ccon1)c1ccc(N2CCOCC2)cc1Cl	766420606	IUNJHTHMRVWRKP-LBPRGKRZSA-N	321.808	3.015	10	20	DGCD	
CC[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(N(C)C)cc1	773105579	HWXYOTQFKKWLIE-OCCSQVGLSA-N	304.356	3.107	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](C3CCOCC3)C2)cc1	773805316	SQSPCDAVOJCPNG-GOSISDBHSA-N	302.462	3.391	10	20	DGCD	
C[C@H](NC(=S)NC(C1CC1)C1CC1)c1ccc(N(C)C)cc1	774251542	ABSAUHICSXACLB-LBPRGKRZSA-N	317.502	3.466	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](C(C)C)C2)c1O	775096500	CQQQFXUDYJTSIM-GFCCVEGCSA-N	308.378	3.177	10	20	DGCD	
CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc(O)cs1	776251057	OZZMDRGUCGGESY-XPTSAGLGSA-N	309.362	3.099	10	20	DGCD	
Cc1ccc(F)cc1COC(=O)/C=C\c1ccc(O)c(O)c1	782296496	SCEYHUPKQBEZGZ-DAXSKMNVSA-N	302.301	3.302	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)NCc1ccc(N(C)C)cc1C	784005265	KBXLZPUDEDCXEZ-VURMDHGXSA-N	309.413	3.094	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCc3ccccc3OC2)cc1F	786815206	BKVPUMGOOTZGOK-MRXNPFEDSA-N	314.404	3.375	10	20	DGCD	
O=C(Nc1cccc(-c2cnco2)c1)c1c(F)ccc(O)c1O	789958326	BHPOBONKYOETLT-UHFFFAOYSA-N	314.272	3.144	10	20	DGCD	
OCC1(CNCc2ccc3c(c2)CCN3Cc2ccccc2)CC1	796315965	OZTDSQBPIHZYMI-UHFFFAOYSA-N	322.452	3.111	10	20	DGCD	
Cc1cc(C(=O)OCc2cn[nH]c2)c(C)n1-c1ccc(F)cc1	803221485	CAIWHSUVTWAPHG-UHFFFAOYSA-N	313.332	3.313	10	20	DGCD	
CC[C@@H](NCC(=O)NC1CCCC1)c1cccc(Cl)c1O	806146850	RFDWNDWSCZFLJD-CQSZACIVSA-N	310.825	3.145	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c(O)c1O	817634106	XGBOZZKLIRVJTN-SNVBAGLBSA-N	317.307	3.211	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3ncc(Cl)cn3)C2)cc1	819933944	AUARDPMHGVMDJP-GFCCVEGCSA-N	318.808	3.077	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)cc1	822197233	QXCXTLKFQSPUHF-LJQANCHMSA-N	314.429	3.090	10	20	DGCD	
COc1ccc(N2CCC(NCC(C)(C)C(C)(C)O)CC2)cc1	825200303	COPSXMOLAGPAII-UHFFFAOYSA-N	320.477	3.051	10	20	DGCD	
COc1cccc(O)c1CN1CCC([C@H]2CCCCO2)CC1	827377026	NQCIHSPVJCQVSQ-QGZVFWFLSA-N	305.418	3.182	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C2CCC2)c1O	830234195	BSBXNIVRDCUHTR-INIZCTEOSA-N	323.820	3.249	10	20	DGCD	
CSc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)o1	831925574	ZADOOXDABUFBAO-VIFPVBQESA-N	321.398	3.082	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)C[C@@H]1CCOC1	840893518	KHSBBZAMPSWITN-IKGGRYGDSA-N	304.478	3.397	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](CO)[C@H](C)c1ccccc1	840934003	LTXDJMJKWIKGSL-OXQOHEQNSA-N	312.457	3.315	10	20	DGCD	
CCOCc1cc(CN[C@H](CC)[C@H](O)C(C)C)ccc1OC	840966493	GNSVIJDSUHPCMM-SJLPKXTDSA-N	309.450	3.117	10	20	DGCD	
CCn1cccc(CN[C@H](C)c2ccc(Cl)cc2O)c1=O	841753103	SGBPPNYBIYPSOQ-LLVKDONJSA-N	306.793	3.078	10	20	DGCD	
Cc1ccc(CN(C[C@H](C)N)c2ccc3c(c2)OCCO3)s1	843357228	DAZDANOBUTZTON-LBPRGKRZSA-N	318.442	3.182	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccn(CC)n1	843880527	QYDZQAYHGIJCDK-UHFFFAOYSA-N	301.390	3.051	10	20	DGCD	
COCC[C@H](N[C@@H](C)c1cccc(OC)c1O)c1ccco1	846166494	XWJFIUSIAHFIQQ-JSGCOSHPSA-N	305.374	3.422	10	20	DGCD	
COc1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)o1	847083056	YRXSWXDNMTVWDB-CYBMUJFWSA-N	316.401	3.024	10	20	DGCD	
C[C@@H](c1ccccc1)[C@H](O)CNCc1c(O)cccc1Cl	850411997	QRBYNSFOMKIVLL-YVEFUNNKSA-N	305.805	3.300	10	20	DGCD	
CCCCCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856210272	VCJDAWDKQZQFAG-UHFFFAOYSA-N	318.461	3.234	10	20	DGCD	
Cc1cc(CNC(=O)C[C@H]2CCOC2)c(C)n1-c1ccccc1	863164554	NLKSQNLRDRCIHD-MRXNPFEDSA-N	312.413	3.137	10	20	DGCD	
CCOc1cccc(F)c1CNCc1cc(OC)ccc1O	873050771	RYMNVPZTLQSZGP-UHFFFAOYSA-N	305.349	3.228	10	20	DGCD	
COc1ccc(N2CCCN(C[C@](C)(OC)C3CC3)CC2)cc1	876630798	KZAJLNKDYVFNMA-IBGZPJMESA-N	318.461	3.022	10	20	DGCD	
CC(C)N(Cc1ccc(N2CCC(O)CC2)cc1)CC(F)F	876810561	BNLSNRDQMKXJKW-UHFFFAOYSA-N	312.404	3.123	10	20	DGCD	
CC(=O)Nc1ccc2c(c1)CN(Cc1cccc(C)c1O)CC2	877816492	FWDKCOISERTJGQ-UHFFFAOYSA-N	310.397	3.217	10	20	DGCD	
C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1O	879648237	FYEMOLAMTREINZ-FZKQIMNGSA-N	310.397	3.063	10	20	DGCD	
CCN(CC)[C@@H](CNCc1ccc2c(c1)CCO2)CC(C)C	917395020	ZEQYVWUULHKGGQ-GOSISDBHSA-N	304.478	3.468	10	20	DGCD	
CC(C)c1ccc(O)c(CN[C@H](CC(F)(F)F)C(=O)O)c1	1591973916	JOPHUHPAPYFOAI-LLVKDONJSA-N	305.296	3.011	10	20	DGCD	
C[C@H](CN[C@@H](C)c1cc(C(=O)O)ccc1O)CC(F)(F)F	1604184178	HTBMFJNLTKKYHV-IUCAKERBSA-N	305.296	3.330	10	20	DGCD	
COc1cc(C)c(CN2CCC[C@@H](C(C)(C)C(=O)O)C2)c(O)c1	1607148599	KFWSPWVDZCLHSD-CYBMUJFWSA-N	321.417	3.032	10	20	DGCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(F)c(F)c1	70333907	WKKGBFHYIQQJEH-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(CC2CC2)CC2CC2)cc1F	115813530	XJUYWUCMRIQLNP-UHFFFAOYSA-N	319.424	3.223	10	20	DGCD	
CCOc1ccc(N(C)Cc2cccc(C(=O)N(C)C)c2)cc1	150733507	IQXZJKQYEHNLQT-UHFFFAOYSA-N	312.413	3.424	10	20	DGCD	
Cc1ccc(C2(C(=O)Nc3ccc(N)cc3)CCOCC2)cc1	160372514	WJNOMNGDHXWQJE-UHFFFAOYSA-N	310.397	3.264	10	20	DGCD	
C[C@@H]1CC[C@H](CCC(=O)N(C)Cc2ccc(N(C)C)cc2)O1	175004078	PQEIRHKVPPEUPU-RHSMWYFYSA-N	304.434	3.059	10	20	DGCD	
Cn1ccc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc21	180969737	QAPOZHZLRRFXEH-XVNBXDOJSA-N	308.337	3.241	10	20	DGCD	
O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1cccnc1	210330357	RTIVSAYORIBYQZ-MDWZMJQESA-N	314.391	3.193	10	20	DGCD	
CC(C)Cn1cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cn1	273476832	LBBYUEDROYKWBR-NSHDSACASA-N	304.350	3.326	10	20	DGCD	
C[C@H](N[C@H]1CCSC1)c1cc(Br)ccc1O	273519046	SYZUOHXQHNSUMS-WPRPVWTQSA-N	302.237	3.311	10	20	DGCD	
CCC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	277252922	ICZDEWLLSYWXLP-UHFFFAOYSA-N	324.808	3.246	10	20	DGCD	
CCOc1cccc(CN2CCC=C(c3ccncc3)C2)c1O	289634827	MDNIBHQUPSBXGT-UHFFFAOYSA-N	310.397	3.475	10	20	DGCD	
C[C@H]1C[C@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	298895672	WMSWETUFWYXVHJ-ZFWWWQNUSA-N	301.434	3.083	10	20	DGCD	
Cc1nc(NC(=O)NCc2c(C)c3ccccc3n2C)oc1C	348545772	WSEKQLMJWIGENI-UHFFFAOYSA-N	312.373	3.413	10	20	DGCD	
Cc1cc(NCc2c(C)c3ccccc3n2C)nc(C2CC2)n1	359836725	BIWKUDUTHADLHK-UHFFFAOYSA-N	306.413	4.075	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1C[C@H](C)Oc2cc(F)ccc21	588519126	NACPUFIZDGNMRQ-OMMCCPJFSA-N	318.373	3.418	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCC2(C)CCCC2)cc1F	731222254	CBUUVWXOPQUWOS-UHFFFAOYSA-N	307.413	3.271	10	20	DGCD	
CCN(CC)[C@@H](CNC(=O)c1cc(O)cs1)c1ccccc1	731866515	OJAJQMNFXNXUQP-HNNXBMFYSA-N	318.442	3.267	10	20	DGCD	
CN(C)C(=O)c1cccc(CNCc2c(O)cccc2Cl)c1	733324364	RUVVLMWHLVIKMJ-UHFFFAOYSA-N	318.804	3.037	10	20	DGCD	
O=C(c1cc(O)cs1)N1CC[C@H](Cc2ccc(F)cc2)C1	736723867	BKILABHFKKRACS-GFCCVEGCSA-N	305.374	3.298	10	20	DGCD	
CCCOC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1	741774398	BGGMHAUFKKXMMN-MRXNPFEDSA-N	318.461	3.450	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)cc1Cl	755013945	SRSZIGAFRRLITI-UHFFFAOYSA-N	324.739	3.255	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc(F)cc(F)c1O)CN1CCCCC1	756435032	SXCLZDLLVZQCQL-QWHCGFSZSA-N	312.404	3.443	10	20	DGCD	
CC(C)c1nc([C@H](C)N[C@H](C)c2cc(F)cc(F)c2O)n[nH]1	756777643	KFFGFZZOLVJOFM-BDAKNGLRSA-N	310.348	3.324	10	20	DGCD	
C[C@H](NCc1cocn1)c1cc(Br)c(F)cc1O	756831234	MLEHMDYTTHCSIJ-ZETCQYMHSA-N	315.142	3.133	10	20	DGCD	
CCN(CC)CCOCCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	757675119	ZYBJTKDQRPVOJV-UKRRQHHQSA-N	324.440	3.028	10	20	DGCD	
COc1ccc(CN(C)c2ccc(OC)c(OC)c2)c(OC)c1	761220654	IJOMIYAGYILNNJ-UHFFFAOYSA-N	317.385	3.357	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cc(Cl)ccc1F	761611541	QVJPQRIQPRAHJG-UHFFFAOYSA-N	324.739	3.255	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@H](Nc2ccccc2)C1	769504215	QCSXFGGWJJUGSV-INIZCTEOSA-N	312.413	3.477	10	20	DGCD	
CC(C)c1ocnc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	772996338	DBJIVTCTALVRQL-LBPRGKRZSA-N	301.390	3.355	10	20	DGCD	
C[C@H](N[C@@H](CO)c1cccc(F)c1)c1ccc(N(C)C)cc1	773012603	WOMURQYWVNDYCB-UGSOOPFHSA-N	302.393	3.276	10	20	DGCD	
C[C@H](NC(=O)N[C@@H](C)c1ccccn1)c1ccc(N(C)C)cc1	773152507	XSJARLLJVUICCP-KBPBESRZSA-N	312.417	3.269	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NOC2CCCC2)cc1F	774716227	PMJKNSGDQHFPQQ-UHFFFAOYSA-N	323.412	3.345	10	20	DGCD	
Cn1c(CNCc2ccccc2O)nc2cccc(Cl)c21	775320766	HRXXKEZZDQZARD-UHFFFAOYSA-N	301.777	3.222	10	20	DGCD	
C[C@H]1CCC[C@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)C1	775649400	QXLBPWLPOXOHJF-PXNSSMCTSA-N	315.505	3.449	10	20	DGCD	
CC(C)[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C	776256733	HNXHHJPUPCZVAH-MRXNPFEDSA-N	324.440	3.348	10	20	DGCD	
CCC[C@H](NC(=O)c1cc(O)cs1)[C@@H](O)c1ccccc1	792683246	RUPHJUZTFCSOLJ-ZFWWWQNUSA-N	305.399	3.086	10	20	DGCD	
CC[C@@H](NCCCOC[C@@H]1CCOC1)c1ccc(C)cc1O	794802854	OYJYUSDNPVXCMJ-DOTOQJQBSA-N	307.434	3.185	10	20	DGCD	
C[C@@H]1C[C@H](N2CCCC2)CN1Cc1cc2c(cc1O)CCCC2	795697244	CAJNXWKHSXNFNK-BEFAXECRSA-N	314.473	3.330	10	20	DGCD	
CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[C@H](C)C1	799383218	GRQFUCISXUIMBE-JKIFEVAISA-N	319.449	3.023	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)CN2CCCC2=O)c1O	808679315	KSFNYWHHWBNIRS-NWDGAFQWSA-N	310.825	3.016	10	20	DGCD	
CNc1ccc(Cl)c(C(=O)N(C)Cc2ccccc2O)c1	816888873	BAZIXRFVQSVGGX-UHFFFAOYSA-N	304.777	3.360	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC3(CCO)CC3)c2C)c1	817138294	YLRIVHNPYKEJEO-UHFFFAOYSA-N	312.413	3.047	10	20	DGCD	
C[C@@H]1C[C@H](CO)CN(Cc2ccc(N3CCCCC3)cc2)C1	817412700	OIORRRGJWHCWBS-AEFFLSMTSA-N	302.462	3.127	10	20	DGCD	
CCC(CC)CNC(=O)c1csc(Cc2ccc(N)cc2)n1	817909950	DRXCIKAJAYQGAP-UHFFFAOYSA-N	317.458	3.482	10	20	DGCD	
CC[C@H](N[C@H]1CCCNC1)c1cc(Cl)cc(Cl)c1O	817942030	WBUZWFWTQKGDPI-GWCFXTLKSA-N	303.233	3.492	10	20	DGCD	
Oc1ccccc1[C@H](CCc1ccccc1)N[C@H]1CCCNC1	817942104	WTVRFSKNTMIUPH-HKUYNNGSSA-N	310.441	3.408	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](C)c2cc(Cl)c(Cl)cc2O)CCN1	817971805	QDQJFYTXGFMRHY-OPRDCNLKSA-N	303.233	3.490	10	20	DGCD	
CC[C@@H](NC[C@H]1NCCc2ccccc21)c1ccc(F)cc1O	817975041	QELIMCMMCJZYIW-QZTJIDSGSA-N	314.404	3.459	10	20	DGCD	
CCC[C@@H](CC)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	823776141	KVAHRPLWHOUILC-JKSUJKDBSA-N	318.461	3.464	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCS[C@H]2C)cc1	825721626	QNJMMXDRZRHBRI-XJKSGUPXSA-N	321.490	3.226	10	20	DGCD	
COCc1csc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1	830540233	HNJNRGYGRXFRQV-JTQLQIEISA-N	321.398	3.100	10	20	DGCD	
CC[C@H](NCCc1cnc(C)cn1)c1cc(Cl)ccc1O	834908030	GMVSVKASIPYXPF-HNNXBMFYSA-N	305.809	3.427	10	20	DGCD	
COc1cc(CN(C)Cc2ccc(N(C)C)cc2C)ccc1O	840909226	DABXXGIFWRNZIK-UHFFFAOYSA-N	314.429	3.407	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2ccc(N(C)C)cc2C)C[C@@H]1C	840918607	WPYZFDVNIPAARU-LPHOPBHVSA-N	303.494	3.366	10	20	DGCD	
COCCN(Cc1ccccn1)Cc1ccc(N(C)C)cc1C	840946758	TUVSUYSUHILWOL-UHFFFAOYSA-N	313.445	3.105	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@@H]1c1ccccc1	840957050	HZCJBTNSMWNYTB-VQTJNVASSA-N	310.441	3.369	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc3cnccc3c2)cc1	841043233	PLGOBXSFZGUCOH-HXUWFJFHSA-N	320.440	3.090	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCNCC2(C)C)cc1F	841072124	HFEUTGKLBDTRGQ-QGZVFWFLSA-N	307.457	3.150	10	20	DGCD	
CC(C)C[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841960345	NTOKEIKHQFIZFB-INIZCTEOSA-N	303.450	3.279	10	20	DGCD	
CCN(C)[C@@H](c1ccccc1)c1nc(Cc2ccc(N)cc2)no1	843161472	VEDPSLCTQSJDTQ-SFHVURJKSA-N	322.412	3.284	10	20	DGCD	
COc1ccc(N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)cc1	844353401	VXUQISIBGMPFIU-KRWDZBQOSA-N	312.369	3.157	10	20	DGCD	
C[C@@H]1CC[C@H](C(=O)O)N1Cc1cc(-c2ccccc2)ccc1O	844934506	NHMDEWAPMNVOHT-CXAGYDPISA-N	311.381	3.497	10	20	DGCD	
COc1cccc([C@H](C)NCCc2ccc3c(c2)OCO3)c1O	846135978	FUUAATDECKVATF-LBPRGKRZSA-N	315.369	3.023	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc(C(C)(C)C)ncn1	853472856	FEAXZGNRCMPCSV-NSHDSACASA-N	301.390	3.228	10	20	DGCD	
CC[C@H](C)[C@@](C)(O)CNCc1c(O)cccc1Br	858135609	ZVJXWMLTVYGMCC-HZMBPMFUSA-N	316.239	3.041	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@]2(C)c2ccccc2)c1	858248183	UADQWZCMCUTUKU-IEBWSBKVSA-N	310.397	3.230	10	20	DGCD	
CC[C@H](C)[C@H](CNC[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	877598192	KMCQUPYDTRLTEO-BXWFABGCSA-N	320.477	3.172	10	20	DGCD	
O=[N+]([O-])c1cc(CN2CC[C@@H](CF)C2)ccc1N1CCCCC1	895575320	RNVKDTUWTSQJMI-HNNXBMFYSA-N	321.396	3.377	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCO[C@@H](C(C)C)C2)c1	934940662	SVGHHLGYPGCLOM-GDZNZVCISA-N	321.417	3.029	10	20	DGCD	
C[C@@H](C[C@@H](O)c1ccco1)NCc1cc(F)c(N(C)C)cc1F	1261787871	DMPUJWJGDMFDGD-MEDUHNTESA-N	324.371	3.226	10	20	DGCD	
Cc1ccc(CN2CCCN(Cc3ccc(N)cc3)CC2)cc1	1262486932	FRAVFUQDLAYBAR-UHFFFAOYSA-N	309.457	3.285	10	20	DGCD	
COc1cc(CN2CC[C@@](O)(C3CC3)C2)c(O)c(C(C)(C)C)c1	1330803143	AIFOFGGOHBATBE-IBGZPJMESA-N	319.445	3.045	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CCC[C@@H]1C1CCC1	1338749590	IIUYOOMXGPYTGT-LLVKDONJSA-N	304.419	3.018	10	20	DGCD	
Cc1oc(CN(C)Cc2ccc(N(C)C)c(F)c2)cc1C(=O)O	1350598781	CMNKDZSTPJEZCO-UHFFFAOYSA-N	320.364	3.123	10	20	DGCD	
Cc1cc(CN2[C@H](C)CC[C@@H]2C(=O)O)ccc1N1CCCCC1	1594303642	XGXYJLYXXDKWFP-CRAIPNDOSA-N	316.445	3.423	10	20	DGCD	
CCOc1cccc(CN(C)Cc2cc(C(=O)O)c(C)o2)c1O	1597153477	IZVUUTZUVJJQDW-UHFFFAOYSA-N	319.357	3.023	10	20	DGCD	
COc1c(C)cccc1CN[C@@H](C)c1cc(C(=O)O)ccc1O	1607013576	LDHJUEMINSDVJY-LBPRGKRZSA-N	315.369	3.258	10	20	DGCD	
C[C@H](Cc1ccsc1)N[C@H](C)c1cc(C(=O)O)ccc1O	1609750097	MCYZRWMVPGJAFK-GHMZBOCLSA-N	305.399	3.434	10	20	DGCD	
CCN(CC)c1ccc(CNC(CC)(CC)C(=O)O)cc1F	1776860262	JOTMZWHFJHSIMA-UHFFFAOYSA-N	310.413	3.405	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc3ncccc3c2)c1	103529110	RAPRJDKYQIYJNF-LBPRGKRZSA-N	322.364	3.440	10	20	DGCD	
CCOc1cccc(CN(C)Cc2ccc(O)c(OC)c2)c1O	179943871	MSAOOXZCPDURAI-UHFFFAOYSA-N	317.385	3.137	10	20	DGCD	
O=[N+]([O-])c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1	22357218	ABJMIOCGXDPWPA-UHFFFAOYSA-N	321.340	3.160	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1Cc1ccccc1)OCO2	26232857	FGIYHVZYALZBST-MRXNPFEDSA-N	311.381	3.328	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCCCO1	182193417	KMZPSRSNWKSIFU-MRXNPFEDSA-N	320.433	3.273	10	20	DGCD	
C[C@@H](c1ccco1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	125333572	GJQOCGUYXGQVOI-LBPRGKRZSA-N	319.380	3.387	10	20	DGCD	
C[C@@H](N[C@@H]1CCCOCC1)c1cc(Br)ccc1O	186233981	NQDLCSAZGIVAKV-ZYHUDNBSSA-N	314.223	3.374	10	20	DGCD	
Cc1ccc([C@@H]2COCCN2Cc2ccc(N(C)C)c(F)c2)o1	127271274	ILOYVHKFVBYLRX-KRWDZBQOSA-N	318.392	3.367	10	20	DGCD	
CO[C@H](C)CCC(=O)N(Cc1ccco1)Cc1ccccc1O	183915173	QNUVJKCYPVOMGT-CQSZACIVSA-N	317.385	3.329	10	20	DGCD	
CN(Cc1ccsc1)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	314373467	RYVYKARRZICGLA-HWKANZROSA-N	318.354	3.391	10	20	DGCD	
C[C@@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1	315692375	WZMCUYNALXMHEC-MDZRGWNJSA-N	302.462	3.438	10	20	DGCD	
COC[C@@H](NCc1cc(Cl)cc(OC)c1O)c1ccco1	184709723	YTROWUWEJJAUMR-GFCCVEGCSA-N	311.765	3.125	10	20	DGCD	
CC(=O)CCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	194522954	IJUORCPZWGIOTQ-UHFFFAOYSA-N	316.445	3.395	10	20	DGCD	
CN1CCC[C@H]2CN(Cc3c(O)ccc4ccccc34)CC[C@H]21	247111378	QQFCNDVOSPAYRZ-QFBILLFUSA-N	310.441	3.462	10	20	DGCD	
O=C(Nc1ccnc2ccncc12)c1ccc(C2=S=CC=C2)o1	341135254	LFOSKVCAWMMUME-UHFFFAOYSA-N	321.361	3.101	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)NCc2ccc(N(C)C)cc2)n[nH]1	276761892	AJBJELKEGXWRSW-QWHCGFSZSA-N	301.438	3.235	10	20	DGCD	
COc1ccc(O)c(CN2CCc3cc(F)cc(C)c3C2)c1	800537000	XGMBLRBXVGZASI-UHFFFAOYSA-N	301.361	3.407	10	20	DGCD	
COCCCn1cc(C)c(NCc2ccc(N(C)C)c(F)c2)n1	296958965	YEOABUBQWLUPDB-UHFFFAOYSA-N	320.412	3.045	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](C)c2cccc(C(F)(F)F)c2O)CCN1	817970893	GVZLGZJOHYTVPK-MXWKQRLJSA-N	302.340	3.202	10	20	DGCD	
C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1cc(Cl)c(F)cc1O	816608639	FPDHZYCWPNUNEN-DGCLKSJQSA-N	312.816	3.243	10	20	DGCD	
CN1Cc2ccccc2[C@H](NCc2cc(Cl)c(F)cc2O)C1	816559923	YYZTYKHWODEDJG-MRXNPFEDSA-N	320.795	3.461	10	20	DGCD	
C/C(=C\C(=O)N1CCCc2cc(F)cc(C)c21)c1cnccn1	826072932	XQXGLKKNOGAPCS-FMIVXFBMSA-N	311.360	3.307	10	20	DGCD	
Cc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)CC2	826911343	WYPHXCHNZMGVKL-UHFFFAOYSA-N	322.452	3.390	10	20	DGCD	
C[C@@H](CCC[C@H](C)C(=O)O)NCc1ccc2c(c1)CCCO2	900022590	JUXOGUDELCCCQM-KBPBESRZSA-N	305.418	3.381	10	20	DGCD	
Cc1cc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccn1	836405561	HUWDLCKGCUFXFV-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC1	839145510	PSIINPCZPULVAV-KRWDZBQOSA-N	324.415	3.470	10	20	DGCD	
CC1(C)CCC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	839146462	IMXOLPCLMFFGCO-MRXNPFEDSA-N	324.415	3.470	10	20	DGCD	
CCOc1cccc(CN2C[C@H](C)NCc3ccccc32)c1O	841090141	WLKVUQQSAYUIQZ-AWEZNQCLSA-N	312.413	3.289	10	20	DGCD	
COc1cc(Cl)cc(CN2CCOC[C@H]2C2CCC2)c1O	843428773	NCOSTDCWRUINQM-AWEZNQCLSA-N	311.809	3.055	10	20	DGCD	
CC(C)COCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	915284327	FVZVKYHFDLNHMZ-UHFFFAOYSA-N	318.461	3.306	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCCC2(CCN(C)CC2)C1	840942568	HFQYUYVAMHYPGG-UHFFFAOYSA-N	315.505	3.369	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC([C@@H]2CCCO2)CC1	840937966	BBMLWVBVDXSLGQ-IBGZPJMESA-N	302.462	3.452	10	20	DGCD	
CC(C)(NC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1	757159037	OQIUQTUCSLTQQX-UHFFFAOYSA-N	301.434	3.275	10	20	DGCD	
Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ns1	766391697	BVHQVALIDPETGH-UHFFFAOYSA-N	315.442	3.322	10	20	DGCD	
C[C@@H]1SCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)[C@H]1C	769445594	HKJQVAKWLGOATB-IUCAKERBSA-N	316.810	3.280	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CCC1CC1	768970089	SMNKIKUCHGFWAJ-AWEZNQCLSA-N	303.450	3.439	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CC[C@H](C4CC4)C3)ccc21	764370719	DUMDHXWTMDIGNT-KRWDZBQOSA-N	313.445	3.011	10	20	DGCD	
CCOc1ccc(N2CCN(CCOC(C)(C)C)CC2)cc1	1116417916	QFGYHTAMNRFODZ-UHFFFAOYSA-N	306.450	3.022	10	20	DGCD	
COc1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1F	762347031	PKDQEHXMERNGGC-UHFFFAOYSA-N	316.376	3.299	10	20	DGCD	
Cc1cnc(Cl)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1	877974711	AQWORERKRUJWAB-UHFFFAOYSA-N	317.820	3.382	10	20	DGCD	
Cc1ccc(CNc2ccccc2N2CCN(C)CC2)c(O)c1	876835597	YLHWOCCKFYPYBB-UHFFFAOYSA-N	311.429	3.065	10	20	DGCD	
CC[C@H](NCCCNC(=O)C1CCC1)c1cc(Cl)ccc1O	775528594	ZXMKVWZNLWGDDI-HNNXBMFYSA-N	324.852	3.393	10	20	DGCD	
C[C@H](NC(=O)Cc1c[nH]c2cnccc12)c1ccc(N(C)C)cc1	1117718647	WDJPGWQRDYUKLG-ZDUSSCGKSA-N	322.412	3.049	10	20	DGCD	
O=C1N[C@H](c2cc(Cl)ccc2O)Nc2cc(F)c(F)cc21	877857997	AJLSTOCJJZCGIN-CYBMUJFWSA-N	310.687	3.178	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@H](CC(=O)OC(C)C)C1	877377723	WJFHWDJPPUGUHU-OAHLLOKOSA-N	305.418	3.254	10	20	DGCD	
Cc1ccsc1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773086534	CMXHITAOAZABPR-GFCCVEGCSA-N	324.471	3.162	10	20	DGCD	
C[C@H](NCCN1CCCC(C)(C)C1)c1cc(F)cc(F)c1O	774484609	BSFMUNDVLJKTGI-LBPRGKRZSA-N	312.404	3.443	10	20	DGCD	
C[C@@](CO)(NCc1cc(Cl)cc(F)c1O)c1ccccc1	776175183	JDTFHZBEBSZPRW-INIZCTEOSA-N	309.768	3.182	10	20	DGCD	
CCOc1ccc(CNCc2ccnc(SC)c2)c(O)c1	771882799	SHTZSXQGBSGANL-UHFFFAOYSA-N	304.415	3.198	10	20	DGCD	
Cc1nc(C)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)o1	788020435	QNNNJBAOLTVXOS-INIZCTEOSA-N	316.401	3.178	10	20	DGCD	
C[C@@H]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1	780360688	ZWOTWMDSKQATKA-CZUORRHYSA-N	301.434	3.057	10	20	DGCD	
COc1nc(Br)ccc1NCc1ccccc1O	788973059	MNWRAXGOXFXQDB-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
COc1ccc(NCc2ccc(OC)c(OC)c2O)c(F)c1	895696203	HIFOCVOPMQIEPA-UHFFFAOYSA-N	307.321	3.169	10	20	DGCD	
COCCOC[C@@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1O	788666750	SKVZDPZAYFFOOF-MNOVXSKESA-N	321.339	3.113	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C2CCOCC2)c1	795080813	MCGAXUZSXDXNLI-GFCCVEGCSA-N	321.417	3.031	10	20	DGCD	
CC[C@H](C)CCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	797075034	SFEHLWUPZLUWAW-AWEZNQCLSA-N	322.424	3.309	10	20	DGCD	
C[C@@H](CCCO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796325023	UMNNWMWXTOJAMU-KRWDZBQOSA-N	324.468	3.500	10	20	DGCD	
CCOc1ccc(CNCC2(OC)CCC(C)CC2)c(O)c1	793289667	BTDTVQCHWAMLGN-UHFFFAOYSA-N	307.434	3.476	10	20	DGCD	
CCCC(=O)N1CCC(CNCc2ccc(OC)c(C)c2)CC1	997475749	RWKFUYCEOAQZBH-UHFFFAOYSA-N	318.461	3.132	10	20	DGCD	
COc1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1	76275482	ATACBTITLDBQSC-UHFFFAOYSA-N	312.413	3.268	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)CN(C)C(=O)OC(C)(C)C)c1	701861688	WCPWWLMGGFHRBM-CYBMUJFWSA-N	308.422	3.046	10	20	DGCD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@@H](C)c1ccccc1O	706406940	MAWLXPNVZJBCFV-STQMWFEESA-N	308.422	3.298	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2O)CCN1C	90721730	XBZUWVIBGDOXFQ-SKDRFNHKSA-N	303.233	3.271	10	20	DGCD	
COC1([C@H](C)NCc2cc(Cl)c(C)cc2O)CCOCC1	1261677106	GBVLXSVLJMVUBJ-LBPRGKRZSA-N	313.825	3.028	10	20	DGCD	
C[C@@H](C1CC1)N(C)c1nnc(-c2sccc2O)n1CC1CC1	1518342565	BDJZMDQCVADXBV-JTQLQIEISA-N	318.446	3.357	10	20	DGCD	
C[C@@H](N[C@H](C)c1c(F)cncc1F)c1cc(C(=O)O)ccc1O	1604322984	STGCDZMNSBTXAE-RKDXNWHRSA-N	322.311	3.175	10	20	DGCD	
CC(C)OCCCN(C)Cc1cc(Br)ccc1O	382788992	GPTKTXWOCCNWNL-UHFFFAOYSA-N	316.239	3.402	10	20	DGCD	
C[C@H]1COC(C)(C)CN1Cc1c(O)cccc1Br	862344260	OBIHAJVNYALOMC-JTQLQIEISA-N	314.223	3.154	10	20	DGCD	
Cc1ccc(CCNC(=O)N(C)Cc2ccccc2O)c(C)c1	65699240	FEGHBYKKHGISGF-UHFFFAOYSA-N	312.413	3.393	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cccc(F)c2F)c1O	105023239	DCRYNTQKQZLMFY-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
COc1ccc(O)c(CNCc2cccc3c2OC(C)(C)C3)c1	119271456	RCLGBUGINCSPLG-UHFFFAOYSA-N	313.397	3.404	10	20	DGCD	
COc1cc(N(C)CCOc2ccccc2)cc(OC)c1OC	125719389	XHPBJLHPLHEQGW-UHFFFAOYSA-N	317.385	3.228	10	20	DGCD	
CN(Cc1ccccc1)C(=O)NCc1ccc(N2CC=CC2)cc1	127914142	GUADWYDARQIAGI-UHFFFAOYSA-N	321.424	3.404	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1CCOc2c(Cl)cccc21	158551025	XKXAEAIIUTZDGI-VOTSOKGWSA-N	300.745	3.174	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc(F)cc2O)cc1OC	170788877	MZYZPGLCUDVERN-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
COc1ccccc1NC(=O)NCc1ccc(N2CC=CC2)cc1	172592145	XLZVQCBUZCUHMG-UHFFFAOYSA-N	323.396	3.393	10	20	DGCD	
C[C@H]1CSCCN1Cc1cc(Br)ccc1O	179661040	OIPAQGVVWAGXHY-VIFPVBQESA-N	302.237	3.092	10	20	DGCD	
CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1	180797228	LNZOBSFTIBXHTG-VQHVLOKHSA-N	315.344	3.302	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2csc(C3CC3)n2)cc1F	194845231	DGJBFLRDKSDIPL-UHFFFAOYSA-N	319.405	3.156	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3cccc4c3CCC4)ccc21	195738995	SGVYFJGMVLFGGS-UHFFFAOYSA-N	320.436	3.488	10	20	DGCD	
O=C(c1ccccc1)c1ccc(O)c(CN2CCCCC2)c1O	199914170	JVKKRJHEAJLHHL-UHFFFAOYSA-N	311.381	3.315	10	20	DGCD	
Oc1ccccc1CNCc1cc(Br)ccc1O	227446614	CZEKSTKJTCOQBM-UHFFFAOYSA-N	308.175	3.150	10	20	DGCD	
Nc1ccc(CC(=O)Nc2cccc(Oc3cnccn3)c2)cc1	237927202	LTSBWGBOVHLVPN-UHFFFAOYSA-N	320.352	3.032	10	20	DGCD	
COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1F	268605047	QBUKQMIYYXUWJS-UHFFFAOYSA-N	316.376	3.173	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CCCOC	272565980	QIUSTSDJGPGRNY-OAHLLOKOSA-N	306.450	3.164	10	20	DGCD	
C[C@H](CCCC(=O)O)NCc1ccc(N2CCCCC2)cc1	277380589	QUYQWEAGYCGRMT-OAHLLOKOSA-N	304.434	3.410	10	20	DGCD	
O=C(c1cccc(O)c1O)N(CCc1ccc(F)cc1)C1CC1	279063243	CGCIZOIJEUJKGP-UHFFFAOYSA-N	315.344	3.084	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccc(C)nc1O	282565476	UPSSCZIEOHLKGV-UHFFFAOYSA-N	314.385	3.244	10	20	DGCD	
CCOC(=O)C[C@H](Sc1ncc(C(C)(C)C)s1)C(C)=O	286450190	INYBLYSNTJKZFI-JTQLQIEISA-N	315.460	3.444	10	20	DGCD	
COCCCN(Cc1ccncc1)Cc1c(O)cccc1Cl	289471704	PNTSYWBOHUSKMA-UHFFFAOYSA-N	320.820	3.479	10	20	DGCD	
CC[C@H](c1ccccc1O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	294789032	LTLJENPKHTXRSF-ZMSDIMECSA-N	324.424	3.124	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccccc1O)c1ccc(OC)cc1	299549710	XGFRKHWCJGMGSC-INIZCTEOSA-N	314.385	3.351	10	20	DGCD	
Cc1c(CNCc2cn(C(C)(C)C)nn2)n(C)c2ccccc12	355127138	SIPKSNKTPYLPNT-UHFFFAOYSA-N	311.433	3.123	10	20	DGCD	
CCC[C@@H](CCO)CNCc1c(O)cccc1Br	706829233	SCMDJOVUVBEUBQ-NSHDSACASA-N	316.239	3.043	10	20	DGCD	
Cc1ccc(O)c(CNCC(=O)Nc2ccc(Cl)cc2)c1	733325250	GVEBQDJFKVJOGI-UHFFFAOYSA-N	304.777	3.082	10	20	DGCD	
C[C@H]1C[C@@H](CCNCc2cc(Cl)cc(F)c2O)CCO1	753584955	CHBUOWKDFMUUJA-QWRGUYRKSA-N	301.789	3.480	10	20	DGCD	
COC1CCN(C(C)(C)CN[C@@H](C)c2cc(F)ccc2O)CC1	756549521	FYVQKLKICAKPCH-ZDUSSCGKSA-N	324.440	3.071	10	20	DGCD	
O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(O)cs1	758716630	ZURWRFNQVJANJM-GXTWGEPZSA-N	321.373	3.243	10	20	DGCD	
COc1cc(O)c(CNC(C)(C)c2ccc(C)nc2)cc1OC	761226927	SKSZLLQEVCJFAR-UHFFFAOYSA-N	316.401	3.138	10	20	DGCD	
CCCN1C(=O)N([C@H](C)c2ccc(N(C)C)cc2)C(=O)[C@H]1CC	761577307	GBIMFAPVUSMQFR-CZUORRHYSA-N	317.433	3.266	10	20	DGCD	
C[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2O)C1	765770967	UGFRFIIDNWRBIY-ZJUUUORDSA-N	312.207	3.207	10	20	DGCD	
COc1cccc(O)c1CN1CCC(Oc2ccccc2)CC1	768527856	AZRYOYGBCKJCQY-UHFFFAOYSA-N	313.397	3.444	10	20	DGCD	
CCOc1ccc(CN(C)Cc2csc(CC)n2)c(O)c1	769119348	BGFCQGUWUVIRJI-UHFFFAOYSA-N	306.431	3.442	10	20	DGCD	
Cc1cc(O)c(CN2CC(c3nc4ccccc4[nH]3)C2)cc1C	769480442	NSDPXYOXZNHPQV-UHFFFAOYSA-N	307.397	3.485	10	20	DGCD	
CC(=O)c1ccccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	775412386	XLSPBHRPBALULE-CYBMUJFWSA-N	310.397	3.446	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)c1cccnc1)c1ccc(N(C)C)cc1	776101371	XHCJYGYZOARSAF-UONOGXRCSA-N	312.417	3.269	10	20	DGCD	
C[C@H](NC(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)c1ccc(N(C)C)cc1	776170966	QXKTVJOYBLLWGZ-UMCUTINXSA-N	313.445	3.157	10	20	DGCD	
Cc1ccc(N[C@@H](C)c2ccccc2O)cc1N1CCNC1=O	786988006	HBCHRFFHSLCXKP-ZDUSSCGKSA-N	311.385	3.403	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ccc(F)cc1	790504577	LRYXQJMRJZDZKX-CQSZACIVSA-N	301.317	3.214	10	20	DGCD	
CN(C)c1ccc(CNC[C@@]2(C)CCCO2)c(C(F)(F)F)c1	793015036	BTBDZUFRQQUJHZ-OAHLLOKOSA-N	316.367	3.430	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@](C)(CC)OC)cc1	794903344	TUZJKQZTGDYVKB-SFHVURJKSA-N	306.450	3.306	10	20	DGCD	
CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O	796735946	BCHONCGTRYXNIP-AAEUAGOBSA-N	320.330	3.209	10	20	DGCD	
COCCC[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O	807836553	FJDIECRPRSFYTC-SECBINFHSA-N	320.216	3.378	10	20	DGCD	
CCC[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccccn1	817944099	XHEUYSWYRCETRA-ROUUACIJSA-N	312.461	3.278	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NCCc1ccc(N)cc1	817956135	RODPJDXVGGRNIK-DYESRHJHSA-N	323.484	3.312	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC[C@@H]3CC=CCC3)C2)cc1	818221781	SZSOWYAIBQTKKT-SJORKVTESA-N	300.446	3.467	10	20	DGCD	
Cc1ccoc1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	821032807	HHUZAEFAXFHDKU-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
CCOCc1cc(CNCc2cnccc2C)ccc1OC	824909511	NSNWWIAQZPVCEX-UHFFFAOYSA-N	300.402	3.225	10	20	DGCD	
Cc1ccccc1C[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1	829660802	FHFCYSXNOCALPB-IBGZPJMESA-N	308.425	3.353	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(C)C2CC(C)(C)C2)cc1F	838029770	QLKSFKHFGDHKBE-UHFFFAOYSA-N	307.413	3.222	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)C1CC(C)(C)C1	839184908	MZYQKBLUQKLMLR-UHFFFAOYSA-N	306.425	3.283	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC[C@H]1C[C@H](O)c1cccs1	839707137	SUBUMQKTIIXNQU-JQWIXIFHSA-N	323.439	3.244	10	20	DGCD	
COc1cc(CN2CCC[C@]3(CCSC3)C2)c(O)cc1C	840146702	ZRKZVPDOVXPTJY-KRWDZBQOSA-N	307.459	3.428	10	20	DGCD	
O=[N+]([O-])c1cnc(NCCCSc2nccs2)c(F)c1	840261473	SIOWILCKXRFENR-UHFFFAOYSA-N	314.367	3.180	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccccn1	840487547	GKVALXLZVXCLFB-CQSZACIVSA-N	312.417	3.209	10	20	DGCD	
CC(C)c1cnc(CNC[C@H](N)c2ccc(N(C)C)cc2)s1	841046107	WFZJJHZRRUOXQB-HNNXBMFYSA-N	318.490	3.122	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2cc(Cl)ccc2O)[C@@H]1SC	842767284	NTWNHZIEDBZFKJ-BNOWGMLFSA-N	301.839	3.044	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@H]2CCS[C@H]2C)c1	842778895	ONDFGJYDJFBRCC-CABZTGNLSA-N	316.264	3.447	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)c1O	842887584	ZNZPSZVUQUXOHE-FZMZJTMJSA-N	324.852	3.404	10	20	DGCD	
CCc1cccc(CNC[C@H](O)c2ccccc2Cl)c1O	848896493	BONRGKDWZYWFFL-INIZCTEOSA-N	305.805	3.431	10	20	DGCD	
CCc1cccc(CNCc2ccnc(N3CCCC3)c2)c1O	848912273	CZGPRFPSMZBFBR-UHFFFAOYSA-N	311.429	3.240	10	20	DGCD	
Cc1ccc(CNC(=N)NCc2ccc(N3CC=CC3)cc2)cc1	849098434	MCYSHKMBWBOFBI-UHFFFAOYSA-N	320.440	3.185	10	20	DGCD	
CC[C@H](COC(=O)/C=C\c1ccc(O)c(O)c1)CC(F)F	849744679	FSQAQRKOBZIMHL-OAQKJQOQSA-N	300.301	3.336	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)CC2=CCSC2)c1O	852747647	RFOXLOIMGIGJJA-UHFFFAOYSA-N	311.834	3.353	10	20	DGCD	
COC[C@H](C)Oc1ccc(CNCc2cc(C)ccc2O)cc1	858238951	FRVUVDDLBOCKIF-HNNXBMFYSA-N	315.413	3.404	10	20	DGCD	
C[C@H](NC[C@H](C)CC1(C)OCCO1)c1ccc(Cl)cc1O	866427017	GWNDAMQUVFWDAG-NEPJUHHUSA-N	313.825	3.485	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCOC1CCSCC1	898439537	DRLADPRYSZHHND-UHFFFAOYSA-N	319.829	3.187	10	20	DGCD	
O=C1/C(=C/c2csc(C3CC3)n2)SC(=S)N1C1CC1	920471510	CAFNUEYADKSPPL-YHYXMXQVSA-N	308.453	3.384	10	20	DGCD	
COc1ccc(CNCCNC(=O)C2(C)CCCCC2)cc1C	1133278761	YJUFQNAHOSLVKN-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
NC[C@@H](NCc1ccc(N2CCCC2)cc1)C1CCCCC1	1261370939	ZFIVEHNTPPNZCB-LJQANCHMSA-N	301.478	3.284	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2CCO[C@@H](C3CC3)C2)cc1F	1328701049	AIVPOYDQMPYZBW-CXAGYDPISA-N	310.388	3.078	10	20	DGCD	
CCn1c([C@@H]2CC=CCC2)nnc1N(C)Cc1ccccc1O	1342670869	NQZXOHUEOLMLIQ-CQSZACIVSA-N	312.417	3.464	10	20	DGCD	
COc1ccc(CNc2ncccc2OC(C)C)c(O)c1OC	1355281288	XJWXLWFGLAUPGI-UHFFFAOYSA-N	318.373	3.204	10	20	DGCD	
CC1(C)[C@@H](NCc2ccc(N3CCCC3)cc2)[C@H]2CCCN[C@H]21	1576389936	NIZYANAQFZRDRI-OTWHNJEPSA-N	313.489	3.153	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1O	1590461318	AWAUSKYHOHZLOS-BLLLJJGKSA-N	323.400	3.374	10	20	DGCD	
C[C@](CC(=O)O)(NCc1ccc(N2CCCC2)cc1)C1CC1	1592328291	KOAJWMJHNGJLRL-GOSISDBHSA-N	302.418	3.020	10	20	DGCD	
C[C@@H](CC(C)(C)CC(=O)O)NCc1ccc2c(c1)CCCN2C	1604122024	KEGGWFKGFBOJLN-AWEZNQCLSA-N	318.461	3.438	10	20	DGCD	
C[C@]1(C(=O)O)CC[C@H](NCc2ccc(N3CCCCC3)cc2)C1	1776501085	YLOZIRHPSBBCOQ-LPHOPBHVSA-N	316.445	3.410	10	20	DGCD	
C[C@@]1(C(=O)O)CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1	1776501779	ONDYJCOLBYICKM-QMTHXVAHSA-N	318.200	3.432	10	20	DGCD	
CCCC[C@@](C)(NCc1ccc2c(c1)CCN2CC)C(=O)O	1776769756	VGRNCNCMXSHVAO-GOSISDBHSA-N	304.434	3.192	10	20	DGCD	
CCN1CCc2cc(CN[C@@H](CC(=O)O)CC(C)C)ccc21	1776877741	PNPXPBHICZQWHK-MRXNPFEDSA-N	304.434	3.048	10	20	DGCD	
CC[C@@H](C)NC(=O)CCNCc1cc(Cl)cc(Cl)c1O	38013743	UNXAHMRMTSXXSQ-SECBINFHSA-N	319.232	3.093	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)N1CCCCC1	76074237	LIMHURPOIQMMJB-OAHLLOKOSA-N	304.434	3.005	10	20	DGCD	
CC(C)(C)OC(=O)N1CC[C@@H](CSc2nccs2)C1	85340113	PKLNANVKWKINCI-SNVBAGLBSA-N	300.449	3.492	10	20	DGCD	
CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccccc1O	109770135	XHNCOTVHSFCCDD-RDJZCZTQSA-N	316.445	3.005	10	20	DGCD	
CCn1cc(CN(Cc2ccco2)Cc2ccccc2O)cn1	154725461	CJFCILBJXANPMR-UHFFFAOYSA-N	311.385	3.404	10	20	DGCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccccn1	158689908	PICPWLQLFBGRLB-HNNXBMFYSA-N	313.470	3.486	10	20	DGCD	
Cc1cc(C(=O)NCc2ccccc2O)ccc1Br	160426477	LAQSTMFUNWBPCM-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1SCCc2sccc21	175507262	NDXGTNDWPSJPOJ-HNNXBMFYSA-N	319.451	3.443	10	20	DGCD	
Cc1ccccc1CNC(=O)COc1ccc(N2CCCC2)cc1	178194726	HPEXOBMPXOLVSS-UHFFFAOYSA-N	324.424	3.290	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1O	179879581	WVBLZSHYOPDSAR-KBPBESRZSA-N	320.433	3.442	10	20	DGCD	
COc1cc2c(cc1OC)CN(Cc1cc(C)ccc1O)CC2	179942715	GVKQOSNYONBTTR-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
COc1cccc(CNC(=O)NCCC2=CCCCCC2)c1O	185262920	WHOBVGBFTBRDIH-UHFFFAOYSA-N	318.417	3.481	10	20	DGCD	
COc1cccc(Cl)c1CNCc1cc2c(cc1O)OCO2	188280937	VMBKFOWBDSEWFM-UHFFFAOYSA-N	321.760	3.073	10	20	DGCD	
CC[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1	246849859	BYFHATWNLSRRIA-OGWOLHLISA-N	301.478	3.419	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1	264932731	BLSCFJZTQUQHKB-CYBMUJFWSA-N	310.397	3.436	10	20	DGCD	
CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])c(C)n2)cc1	295434754	FYPKCJPPDZVZDR-UHFFFAOYSA-N	315.377	3.152	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)CC=CCC1	410533468	JLSPNEBYJHXIAF-SFHVURJKSA-N	300.402	3.224	10	20	DGCD	
CN(C(=O)/C=C\c1ccc(Cl)nc1)c1cnc2ccccc2n1	493294857	OEHZHQOPZASVNH-CLFYSBASSA-N	324.771	3.354	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1	686279062	IIOCTLIUGVLTHM-ZDUSSCGKSA-N	320.433	3.046	10	20	DGCD	
Oc1c(Br)cc(Cl)cc1CNCC(F)(F)F	708192318	OXAWACCUDUVPSK-UHFFFAOYSA-N	318.520	3.460	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1	730273325	PXJBKZISXDCWCU-GOSISDBHSA-N	319.493	3.077	10	20	DGCD	
CC(C)(NCc1ccc2c(c1)CCO2)C(=O)Nc1ccccc1	731041550	GEFHATUVPIUGND-UHFFFAOYSA-N	310.397	3.128	10	20	DGCD	
CCCCN(C)CC1CCN(C(=O)c2cc(O)cs2)CC1	735519512	ASANVYWWIKSLDD-UHFFFAOYSA-N	310.463	3.038	10	20	DGCD	
c1c[nH]c2nc(=NCc3ccc(N4CCCCC4)cc3)ccc-2n1	748794711	IGCDLDSBPJZXMY-UHFFFAOYSA-N	319.412	3.001	10	20	DGCD	
C[C@H](NCc1ccc(NC(N)=O)cc1)c1cc(F)cc(F)c1O	756393095	PXRWSTSOQVWJKC-VIFPVBQESA-N	321.327	3.012	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2Cc3ccccc32)c1	756535846	RUDPWPCKIPNHIK-SWLSCSKDSA-N	311.381	3.169	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H](CO)c2ccccc2C)c1	756635832	HRVXHPBRWMEZRH-CXAGYDPISA-N	301.386	3.093	10	20	DGCD	
Cc1cccc(NCCN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)n1	756746182	IOEKDYMBGDHKQB-BXUZGUMPSA-N	315.392	3.485	10	20	DGCD	
CC[C@H]1C[C@@H](C)CN1C(=O)NCCCSc1nccs1	759602494	VYNAKAULFNUVFB-NEPJUHHUSA-N	313.492	3.455	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H]1CC2(CC2)C(=O)O1	763671149	JDSAJIHYSSFKTR-QGZVFWFLSA-N	316.445	3.059	10	20	DGCD	
CC(C)OC(=O)[C@H](C)N(C)Cc1cc2c(cc1O)CCCC2	768464247	PIWGHTOFFFZRBR-ZDUSSCGKSA-N	305.418	3.043	10	20	DGCD	
CCc1nc([C@@H]2CCCCN2Cc2c(O)cccc2OC)no1	768969361	ZCCWZKDNFRCXCZ-ZDUSSCGKSA-N	317.389	3.073	10	20	DGCD	
CCOc1ccc(CN(CCOC)Cc2ccc(C)o2)c(O)c1	769502197	WKOPSHWACBGEBL-UHFFFAOYSA-N	319.401	3.341	10	20	DGCD	
Cc1ccc(-n2nc(C(=O)NCc3ccccc3O)cc2C)cc1	777419170	IMAWPJOROUZPOI-UHFFFAOYSA-N	321.380	3.125	10	20	DGCD	
COC(=O)C(C)(C)[C@H]1CCCN(Cc2cccc(C)c2O)C1	779605717	XSHUEDMCSBQUAR-HNNXBMFYSA-N	305.418	3.112	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(C(C)C)cc2O)c(O)c1	794388586	YGDOXLLKBCRHJT-UHFFFAOYSA-N	315.369	3.160	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(Cl)cc2)c(O)c1	794760224	JVEGWVLILBBFDH-UHFFFAOYSA-N	306.749	3.376	10	20	DGCD	
CC[C@H](NCc1ccc(C(=O)NC)cc1)c1ccc(C)cc1O	794795049	GMSCUWMDIDYFCQ-KRWDZBQOSA-N	312.413	3.301	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2nnnn2C2CC2)c1O	808716439	NOLYMJIMNILMQT-VHSXEESVSA-N	321.812	3.087	10	20	DGCD	
CCN(C)c1ccc(/C=C2\C(=O)N(C)c3ccc(C)cc32)cn1	811699955	BKYRLRXMUSSABK-WJDWOHSUSA-N	307.397	3.363	10	20	DGCD	
C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(Cc2ccccc2O)C1	817415177	TZLHNAHMRMEBQV-HIFRSBDPSA-N	305.418	3.192	10	20	DGCD	
C[C@H](NC[C@@H]1NCCc2ccccc21)c1cc(F)cc(F)c1O	817972955	ACDYAHKBPCIMKR-GTNSWQLSSA-N	318.367	3.208	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3ccc(C)o3)C2)cc1	818222493	YCVBKTARIMVFQZ-OAHLLOKOSA-N	300.402	3.213	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCN(CC(F)(F)F)C2)cc1Cl	825173813	SJFGCLZNJSTLNT-NSHDSACASA-N	322.758	3.080	10	20	DGCD	
Nc1ccccc1CCC(=O)NCc1c(O)ccc2c1CCCC2	830597379	GLKDKJZXSQFPDI-UHFFFAOYSA-N	324.424	3.102	10	20	DGCD	
CC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F	834828153	PUZXCIVTKABKLP-BXUZGUMPSA-N	316.367	3.357	10	20	DGCD	
CC[C@@H](C)[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	839146449	HUBIMZNLJNBLSW-CHWSQXEVSA-N	312.404	3.326	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN(C)Cc1ncc(Cl)n1C	840936497	KFLXPOKEBSHQSX-UHFFFAOYSA-N	306.841	3.080	10	20	DGCD	
CCOc1ccc(O)c(CNCC(C)(C)c2cccnc2)c1	840975258	MQKHCUKKPCBVOP-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(N(C)C)cc1	850503122	ULOSYEHWYMGLSQ-VIRVFLBCSA-N	322.518	3.483	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	862130041	ACQFUJGVOCNPCN-USXIJHARSA-N	313.784	3.248	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2CCO[C@H]2C)c(C)n1-c1ccccc1	863165736	MLSGPVJVYBPAKV-MAUKXSAKSA-N	312.413	3.135	10	20	DGCD	
CCN(Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1	876579944	CWLKUBPDCFRPTI-UHFFFAOYSA-N	302.462	3.412	10	20	DGCD	
CCc1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)no1	895940257	KGRBXNYYMLFMAO-UHFFFAOYSA-N	313.401	3.157	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCn2nc(C3CC3)cc2C1	896939167	AHTQNPAYCKMZLI-UHFFFAOYSA-N	303.793	3.135	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2nccs2)cc1	917194596	MWOIYXAGOPGLDZ-UHFFFAOYSA-N	311.410	3.481	10	20	DGCD	
c1cc2c(cc1CNC[C@H]1CCOC3(CCC3)C1)CCCO2	922160759	ZVBCVKXHNWEDDS-INIZCTEOSA-N	301.430	3.451	10	20	DGCD	
O=C(C[C@@H]1CCCc2ccccc21)NCc1cccc(O)c1O	1123977600	JIEKTOUEBHAOOG-AWEZNQCLSA-N	311.381	3.224	10	20	DGCD	
CCc1cccc(CN2CCC[C@@H](Cc3nccn3C)C2)c1O	1261559658	VFPFZZRWSXDZHQ-HNNXBMFYSA-N	313.445	3.143	10	20	DGCD	
CC(C)CNC(=O)CN[C@@H](C)c1ccc(N2CCCCC2)cc1	1319858659	IPLFZJFEDLQVPT-INIZCTEOSA-N	317.477	3.100	10	20	DGCD	
COc1cc(C(=O)Nc2c(Cl)ccc3nonc23)ccc1F	1324142286	ZMPBQQJTBPTCQZ-UHFFFAOYSA-N	321.695	3.276	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(C(=O)O)cc1F)c1ccccc1O	1594201913	LBNUFRWIMWZZED-SECBINFHSA-N	318.304	3.112	10	20	DGCD	
COc1cc(C(=O)O)cc(NCc2ccc(C)cc2O)c1OC	1599362446	JACNKNMWSIFCBS-UHFFFAOYSA-N	317.341	3.028	10	20	DGCD	
CC[C@@H](C(=O)O)N1CCc2c(c3ccc(Cl)c(F)c3n2C)C1	1776681429	QMEWNCGSIQWAHK-LBPRGKRZSA-N	324.783	3.192	10	20	DGCD	
COc1ccc(NCc2cccc(Br)c2O)cn1	42411494	OQWZKQXJCOAVLT-UHFFFAOYSA-N	309.163	3.170	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\c1nccs1	96400996	FEPHBIKLPLWVEP-KTKRTIGZSA-N	315.442	3.271	10	20	DGCD	
Fc1cccc(CNCc2ccc(N3CCOCC3)cc2)c1F	107711965	CWHKDCBEALTERR-UHFFFAOYSA-N	318.367	3.091	10	20	DGCD	
O=C(NCc1ccccc1O)c1cccc(Br)c1	133789060	DKBAISMBWFHMCK-UHFFFAOYSA-N	306.159	3.085	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCS2)cc1	176486213	NTYBMHAPXNTLGE-MRXNPFEDSA-N	321.490	3.228	10	20	DGCD	
CC[C@@H](C)CN(CC)C(=O)NCc1ccc(N(C)C)c(F)c1	178617071	ZMEUVDQHCBPMBN-CYBMUJFWSA-N	309.429	3.469	10	20	DGCD	
COc1cccc([C@@H](CN[C@@H](C)c2ccccc2O)N(C)C)c1	192865317	WWAOJVLAYLKEOP-KBXCAEBGSA-N	314.429	3.354	10	20	DGCD	
CSCCc1ccc(NC(=O)c2cccc(O)c2O)cc1	193013840	KOULWFDRABSPSX-UHFFFAOYSA-N	303.383	3.256	10	20	DGCD	
CC[C@@H](C)[C@@H](NCc1ccc(N(CC)CC)c(F)c1)C(=O)O	277242797	JHKXRRXNCYETOB-MLGOLLRUSA-N	310.413	3.261	10	20	DGCD	
C[C@@H](CC(C)(C)O)N[C@@H](C)c1cc(Br)ccc1O	296421349	LJUOFTDGRIEKLB-UWVGGRQHSA-N	316.239	3.355	10	20	DGCD	
Cc1c(CNC(=O)c2cncnc2C(C)C)n(C)c2ccccc12	348667301	OLAYFEDHGQKGNZ-UHFFFAOYSA-N	322.412	3.330	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CC[C@@H](C2CCOCC2)C1	373824235	JIZYJVSKJMFLMV-GFCCVEGCSA-N	313.800	3.433	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1O	377834121	JEKZWTZMFQFTOX-CVEARBPZSA-N	319.445	3.430	10	20	DGCD	
C[C@H]1[C@H](NC(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1	393845025	CLTXCVYNUUYLAO-KBXCAEBGSA-N	324.428	3.053	10	20	DGCD	
COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)CF)CCCC1	650035600	WKCOKFFADSKTDJ-GFCCVEGCSA-N	318.392	3.003	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)c2cccnc2)c(C)n1-c1ccccn1	731017232	HGAKLPISPBJFFV-AWEZNQCLSA-N	320.396	3.375	10	20	DGCD	
CC[C@H](OC1CCCC1)C(=O)N(C)Cc1ccc(N(C)C)cc1	733126554	VMHVZAIQXVEBRK-SFHVURJKSA-N	318.461	3.449	10	20	DGCD	
COc1cc(C)nc(NCc2ccc(N3CCCCC3)cc2)n1	735486712	IAVQKXFQCRMRFZ-UHFFFAOYSA-N	312.417	3.396	10	20	DGCD	
O=C(O)CN(CCc1ccccc1)Cc1cc(Cl)ccc1O	739793600	HVVKPKOSOANVQQ-UHFFFAOYSA-N	319.788	3.175	10	20	DGCD	
Cn1cc(C(C)(C)NCc2cc(Cl)cc(Cl)c2O)cn1	742374392	WJMVTKCWEICVJK-UHFFFAOYSA-N	314.216	3.457	10	20	DGCD	
CCCOCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	742416400	VOIHFHCUCFIQOS-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
Cc1cnc(NCc2c(O)ccc3c2CCCC3)c([N+](=O)[O-])c1	742430292	OUJUZNROGBTAEL-UHFFFAOYSA-N	313.357	3.495	10	20	DGCD	
CCN(CC(=O)N1C[C@@H](C)C[C@@H](C)C1)c1ccc(OC)cc1	746109006	HLCHHNRZGUHYIZ-GASCZTMLSA-N	304.434	3.026	10	20	DGCD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccccc1O	748355198	VKDKZWFXMFFWDE-LBPRGKRZSA-N	319.788	3.438	10	20	DGCD	
Cc1ccc(-n2cnc3c2CCN(Cc2ccccc2O)C3)cc1	754151426	ZDJVWAWBKLNUCW-UHFFFAOYSA-N	319.408	3.445	10	20	DGCD	
Cc1ccc([C@H](C)NC2CCN(C(=O)C3CC3)CC2)c(O)c1C	756398951	KTGMGWHGUVRZJW-AWEZNQCLSA-N	316.445	3.061	10	20	DGCD	
CN(CC(=O)NC1CCCCCCC1)c1ccc2c(c1)OCO2	756645062	MYFNAWRABHXXAI-UHFFFAOYSA-N	318.417	3.081	10	20	DGCD	
CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(N(CC)CC)cc2)O1	756916769	INVNFPNITXXKEF-SJORKVTESA-N	304.434	3.107	10	20	DGCD	
O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1O	758560096	UZXTYKGKIMAXEY-UHFFFAOYSA-N	323.688	3.016	10	20	DGCD	
Cc1cc(C)c(C(=O)NCc2cccc(Br)c2O)o1	765726653	IJIFOAAGMZKXJY-UHFFFAOYSA-N	324.174	3.295	10	20	DGCD	
OCCN(Cc1cc(Cl)cc(Cl)c1O)C1CCCC1	768136797	BRBMCQLUEUVIGP-UHFFFAOYSA-N	304.217	3.436	10	20	DGCD	
COc1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1	772996340	DERNHIUDJSREHA-AWEZNQCLSA-N	312.413	3.181	10	20	DGCD	
CC[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775654239	JKYMZOQIPFGBCC-KRWDZBQOSA-N	301.478	3.060	10	20	DGCD	
Clc1cnc(NCc2ccc(N3CCOCC3)cc2)s1	776724166	ZBLJYHGPXKNFDS-UHFFFAOYSA-N	309.822	3.245	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNc2cccc3c2OCO3)c1O	782380728	ILOSTGWGWWPHNU-UHFFFAOYSA-N	322.704	3.295	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)CCNC(=O)OC(C)(C)C)cc1C	793598690	ADALYMHPXLQDGH-AWEZNQCLSA-N	322.449	3.402	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H]2CSC[C@@H]2C)c1O	809702276	FBYIFFQQPQROMP-CABZTGNLSA-N	316.264	3.304	10	20	DGCD	
Cc1ccc(O)c(CNCc2cc(Br)ccc2O)c1	809713401	OYRNRAUJIJNWLI-UHFFFAOYSA-N	322.202	3.459	10	20	DGCD	
CCCNC(=O)OC[C@@H]1CCCCN1Cc1cc(C)ccc1O	809726201	LERQYQPDGMBJJF-INIZCTEOSA-N	320.433	3.191	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCCc3occc3C2)c1O	809793227	UQJKAETVXCZLRX-UHFFFAOYSA-N	322.748	3.495	10	20	DGCD	
COc1ccc(COc2ccc(N(C)C)cc2)cc1[N+](=O)[O-]	810001945	ORDNOVJYQAYGEJ-UHFFFAOYSA-N	302.330	3.248	10	20	DGCD	
C[C@H](NCCc1ccnn1C)c1cccc(C(F)(F)F)c1O	815616681	VTLSCPCWXWGZET-JTQLQIEISA-N	313.323	3.038	10	20	DGCD	
COc1cccc(CNCc2conc2Cc2ccccc2)c1O	816610193	BHCGJCZRELYSRS-UHFFFAOYSA-N	324.380	3.269	10	20	DGCD	
CC(C)CC[C@@H](O)CNCc1ccc(N2CCSCC2)cc1	818964146	MHCXGTRVKSBPEH-GOSISDBHSA-N	322.518	3.127	10	20	DGCD	
COc1cnc(/C=C/c2ccc(N3CCCCC3)cc2)nc1O	821007111	CTZWZUWJAMCJLW-JXMROGBWSA-N	311.385	3.352	10	20	DGCD	
CC[C@](C)(CNC1CCN(c2ccc(OC)cc2)CC1)OC	824743641	KASKMAFBWKAGOH-GOSISDBHSA-N	306.450	3.069	10	20	DGCD	
CC[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](C)O	824921296	IMBIGHRKHQFONS-YGRLFVJLSA-N	304.356	3.020	10	20	DGCD	
Cc1cc(O)c(CN(C)[C@H](C)C(=O)NC(C)(C)C)cc1Cl	825556334	QEFZWQVYICWSQZ-LLVKDONJSA-N	312.841	3.089	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc(C(C)=O)cc1OC	830394396	DNALVSKGDNINRW-UHFFFAOYSA-N	318.325	3.330	10	20	DGCD	
Cc1cc(Br)c(O)c(CN[C@@H](C)c2ccn(C)n2)c1	839193160	ZCYLQKBDLPWABS-JTQLQIEISA-N	324.222	3.047	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c(C)ccn1C	839920805	FBOZLWSDTXEEAQ-OAHLLOKOSA-N	313.445	3.069	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1	840298390	SYBVDUZMZVXMPV-XJKSGUPXSA-N	318.417	3.026	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)c1ccccc1F	840929900	QJGRNIMSOHQVJR-SFHVURJKSA-N	302.393	3.023	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1C[C@H](O)C[C@H]1c1ccccc1	840956729	CSLURHRDQUVURS-ZBFHGGJFSA-N	321.779	3.493	10	20	DGCD	
COc1ccc(O)c(CN2CC3(CCOCC3)[C@H]2C(C)C)c1	840969420	IVKUORAMVDKFOZ-QGZVFWFLSA-N	305.418	3.038	10	20	DGCD	
CC[C@H](C)C[C@@H](CO)NCc1cc(Br)ccc1O	842753747	IXLWSRHKYVISIJ-GWCFXTLKSA-N	316.239	3.041	10	20	DGCD	
COC/C(C)=C\C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	845116057	BWJNLUGRPLGKPJ-SSZFMOIBSA-N	316.445	3.228	10	20	DGCD	
C[C@@H](CC(=O)N(C)Cc1ccccc1O)N1CCc2ccccc21	847570442	PCTXKZXGMGALMD-HNNXBMFYSA-N	324.424	3.192	10	20	DGCD	
O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1cccc(O)c1O	855549328	AXKACUGZBVSAMV-HNNXBMFYSA-N	313.353	3.110	10	20	DGCD	
CN(C)c1cccc(C(=O)NCc2cc(Cl)ccc2O)c1	857547089	QUHFVWUZMSJCNP-UHFFFAOYSA-N	304.777	3.042	10	20	DGCD	
Cc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c1	876583378	JSNXLQBERKMKTC-UHFFFAOYSA-N	320.433	3.190	10	20	DGCD	
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(C)c1ccc(N)cc1	877081125	VEIBPNKNLVDRKE-ZDUSSCGKSA-N	310.397	3.188	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](c2ccccc2)N(C)C)c1O	894382606	WTBTYKZNVJRPCK-KRWDZBQOSA-N	314.429	3.102	10	20	DGCD	
O=C(O)[C@@H](CNCc1cc(F)cc(F)c1O)CC1CCCC1	900084444	QFLRLGPQXXZFJS-GFCCVEGCSA-N	313.344	3.041	10	20	DGCD	
CCN(CC)c1ccc(CN(C[C@H](C)C(=O)O)C2CC2)cc1	901995204	YQNALHWHTSPENY-AWEZNQCLSA-N	304.434	3.218	10	20	DGCD	
COc1cccc(CNC(=O)C2(C3CCCCC3)CC2)c1O	907061133	RQOQDQDUKPZBBI-UHFFFAOYSA-N	303.402	3.378	10	20	DGCD	
C[C@@H](NC(=O)C=C1CCCC1)c1ccc(N2CCOCC2)cc1	920881556	FKRFETKDPXFWFX-OAHLLOKOSA-N	314.429	3.201	10	20	DGCD	
COc1ccc(CNC2C[C@@H]3CCC[C@H](C2)N3C(C)=O)cc1C	1039252438	GEJGKVXNTNXUGC-AYHJJNSGSA-N	316.445	3.025	10	20	DGCD	
CCN(Cc1ccccc1F)C(=O)c1ccc(C)c(O)c1O	1320061480	SUTLBPJZHCTCCR-UHFFFAOYSA-N	303.333	3.208	10	20	DGCD	
CN(Cc1cc2ccccc2[nH]1)C(=O)/C=C\c1ccc(O)c(O)c1	1320757235	VFGNBAOZEBTRMP-CLFYSBASSA-N	322.364	3.251	10	20	DGCD	
O=C(Cc1ccc(F)c(F)c1)Nc1c(Cl)ccc2nonc12	1323707443	OYPTVFLFOOBJPT-UHFFFAOYSA-N	323.686	3.336	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](C(N)=O)c1ccccc1	1339657805	HLZQEYUJCOBHES-RVZJWNSFSA-N	310.397	3.065	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)C[C@@H](O)Cc1ccccc1	1347709745	QDXAACOJERZVKE-NRFANRHFSA-N	324.468	3.322	10	20	DGCD	
c1csc(SCCCNc2ncnc3scnc23)n1	1350464744	DUBPXAXWGXHKJN-UHFFFAOYSA-N	309.445	3.137	10	20	DGCD	
C[C@@H]1CN(Cc2cc(F)c(F)cc2O)c2cc(F)ccc2CN1	1576807880	XCDYKJZLDQCRFY-SNVBAGLBSA-N	322.330	3.308	10	20	DGCD	
Cc1sc(C(=O)O)cc1NC(=O)N[C@@H](C)c1ccccc1O	1600871061	OLRYSDGZUZEULE-QMMMGPOBSA-N	320.370	3.343	10	20	DGCD	
CCc1cc(OCc2cc(C(=O)O)oc2CC)ccc1C=O	1605802151	DOUPUASUVGRGSA-UHFFFAOYSA-N	302.326	3.494	10	20	DGCD	
CC[C@@H](NC[C@H](C)N(C)C)c1cc(Br)ccc1O	38088596	PITVOJDKQATGSC-GXFFZTMASA-N	315.255	3.146	10	20	DGCD	
c1coc([C@H](CNCc2ccc3c(c2)CCO3)N2CCCC2)c1	79249362	JENBQDNMPLRKRR-KRWDZBQOSA-N	312.413	3.141	10	20	DGCD	
CCOCCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C	109986024	MEEMVGPIEXRBTE-UHFFFAOYSA-N	300.402	3.169	10	20	DGCD	
Cc1cc(C(=O)OCCc2cccnc2)c(C)n1-c1ccccn1	113666493	GPIQSDBMTMLKML-UHFFFAOYSA-N	321.380	3.284	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC2(CCCC2)C1	157164715	ZCFLMBVRCSXOSF-OAHLLOKOSA-N	318.417	3.025	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@]12CCCc1ccccc12	158960575	RASSULMNMISRQV-OXQOHEQNSA-N	323.392	3.008	10	20	DGCD	
C[C@@H](NCc1cccc(CN(C)C)c1)c1cc(F)ccc1O	184937545	UPRZLPSCNWYCCS-CYBMUJFWSA-N	302.393	3.444	10	20	DGCD	
CCN1CC[C@H](NCc2ccc(N(CC)CC)cc2)[C@@H](C)C1	246028671	ABJHBJQANGVAIB-LPHOPBHVSA-N	303.494	3.353	10	20	DGCD	
CCOc1cccc(CN2CCCC3(CCOCC3)C2)c1O	271190805	OZZXFCKSAXBPTR-UHFFFAOYSA-N	305.418	3.184	10	20	DGCD	
CC[C@H](NCCN(C)CC(F)(F)F)c1ccc(C)cc1O	280236997	VQDOEZRKKUTYTL-ZDUSSCGKSA-N	304.356	3.235	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1cnn(C)n1)Cc1ccccc1O	289412216	UZPSUMQZEIMDBL-OAHLLOKOSA-N	322.412	3.284	10	20	DGCD	
COc1ccc(O)c(CN[C@@H](CCO)c2ccc(Cl)cc2)c1	290114883	ILNKAEPUCPBFNX-INIZCTEOSA-N	321.804	3.268	10	20	DGCD	
COCCOCc1ccc(CN[C@H](C)c2ccccc2O)cc1	291296496	SCIGDQCDFHYTAN-OAHLLOKOSA-N	315.413	3.406	10	20	DGCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccc([S@@](C)=O)cc1	296687926	HABPPUIKYWXPSW-ONJZCGHCSA-N	315.438	3.468	10	20	DGCD	
CC[C@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1O	527996735	FRIIQQWAZIBQMU-DOTOQJQBSA-N	310.397	3.305	10	20	DGCD	
C[C@H](NCc1ccc(Br)cc1O)[C@H]1CCCOC1	691487990	JQYCZHBJKQUJPL-JQWIXIFHSA-N	314.223	3.059	10	20	DGCD	
O=C(Nc1nc(-c2cccnc2)cs1)c1cc(O)cs1	731865014	HZPYYVAWPIRCNQ-UHFFFAOYSA-N	303.368	3.225	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1	739926606	IJSMXBSOGKRPSI-YOEHRIQHSA-N	304.434	3.216	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1Cc2ccccc21	743717681	VNOUJOIILLKFJW-KRWDZBQOSA-N	307.393	3.227	10	20	DGCD	
Oc1cc2c(cc1CN(CCc1ccccc1)C1CC1)OCO2	746023394	TVMXYQQYZOMNBR-UHFFFAOYSA-N	311.381	3.328	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CC(C)(C)c3c(Cl)cccc32)cn1	746817572	OAKGHSSBGLEZIM-FPLPWBNLSA-N	315.804	3.411	10	20	DGCD	
COc1ccc(N2CCCN([C@@H](C)c3ccccn3)CC2)cc1	750039558	PVXCKMZECQMUSW-INIZCTEOSA-N	311.429	3.364	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)O1	750045475	RKIUDVUBDGTSPN-HZMBPMFUSA-N	311.809	3.248	10	20	DGCD	
CNC(=O)C1CCC(N[C@@H](C)c2cc(Cl)ccc2O)CC1	756491141	YKGYBEVCAQXNEF-ZBOXLXRLSA-N	310.825	3.001	10	20	DGCD	
CSc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)ccn1	756662243	ALYTZUMNQYVQGN-SNVBAGLBSA-N	319.386	3.268	10	20	DGCD	
Cc1ccncc1[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756674934	DOHVXYLZDKJKSN-RYUDHWBXSA-N	301.346	3.416	10	20	DGCD	
C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1O	756713055	SPVADNMRZFGIIX-NVGCLXPQSA-N	321.367	3.486	10	20	DGCD	
CCN(CCCO)C(=O)c1cc(C)n(-c2ccccc2C)c1C	757201603	JTWQBZMIFAOYAM-UHFFFAOYSA-N	314.429	3.247	10	20	DGCD	
CC1(C)C(=O)Nc2ccc(C(=O)CSc3nccs3)cc21	763253992	BMOFDGYMWOWFCK-UHFFFAOYSA-N	318.423	3.348	10	20	DGCD	
Cc1cc(C)nc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1	765275145	VXDWZLYZXDZSCA-UHFFFAOYSA-N	324.428	3.403	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@H]2c2cccnc2)cc1OC	768441541	JKWHIROKAUQZAI-HNNXBMFYSA-N	314.385	3.142	10	20	DGCD	
CO[C@@]1(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)CCOC1	774359430	PLQGXMBIXLBHHL-YMTOWFKASA-N	320.216	3.155	10	20	DGCD	
CC[C@@H](NC[C@H](O)COCC(C)C)c1cc(Cl)ccc1O	775487807	DXJDXVGEWQRERF-DZGCQCFKSA-N	315.841	3.120	10	20	DGCD	
CN1C(=O)COc2ccc(NCc3c(O)cccc3Cl)cc21	776219539	GMIFPZFKSMROKY-UHFFFAOYSA-N	318.760	3.013	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ncnn2-c2ccccc2)c1	786936564	FTAKIYHAMOVLCE-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
COc1ccc(CNC(=O)NCc2cccc(Cl)c2)c(O)c1	792764387	XXUFRPIKHNIWRA-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2cc(C)nn2C)cc1	793519888	DQLAWEYLZKXJOC-OAHLLOKOSA-N	300.450	3.426	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)N1[C@@H](C)CCC[C@@H]1C	797726048	YXBXWVYDEBVFBS-GJZGRUSLSA-N	316.445	3.237	10	20	DGCD	
CC1=CCCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	797822648	DEIPLDBIDLEOFW-UHFFFAOYSA-N	323.392	3.481	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NC[C@@H](O)COCC(C)C)c1O	808679830	BPHJZBNVLCGTDL-GXTWGEPZSA-N	315.841	3.038	10	20	DGCD	
CN(C)c1ccc(CN2CCCC[C@H]2c2cc[nH]n2)cc1F	809693385	UZZRTOXBHLHTBT-KRWDZBQOSA-N	302.397	3.342	10	20	DGCD	
CN(C)CCN(Cc1ccccn1)Cc1cc(Cl)ccc1O	809740785	IHFFDNJTVSHXFG-UHFFFAOYSA-N	319.836	3.004	10	20	DGCD	
Cc1cc(CN2CCC[C@H]2c2cn(C)nc2C)ccc1N(C)C	815061324	QMDSAKXAJYSKIM-IBGZPJMESA-N	312.461	3.440	10	20	DGCD	
C[C@H](NCc1cccc(Br)c1O)c1ccnc(O)c1	815148531	YTROBOGTFBAUST-VIFPVBQESA-N	323.190	3.106	10	20	DGCD	
CN1CCC[C@@H]2CN(Cc3cc(Cl)c(F)cc3O)CC[C@H]21	816521529	ROVSMCVWMRVMPK-IAQYHMDHSA-N	312.816	3.101	10	20	DGCD	
C[C@@]1(CNCc2cc(Cl)c(F)cc2O)CCCC[C@@H]1O	816555868	SCPRMSNQFSFDJC-GJZGRUSLSA-N	301.789	3.216	10	20	DGCD	
C[C@H]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1	817905563	OVYJDRNUOMORFH-LBPRGKRZSA-N	315.442	3.188	10	20	DGCD	
C[C@@H](NCC[C@@H]1CCNC1)c1ccc(N2CCCCC2)cc1	817955567	ZAPWNVLWKIJNIO-SJORKVTESA-N	301.478	3.327	10	20	DGCD	
CC[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1	822197213	QGFVVDXERRSVIY-QAPCUYQASA-N	316.445	3.170	10	20	DGCD	
CCC[C@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1	822819683	YBBMXWKGFLBZGJ-KRWDZBQOSA-N	304.434	3.108	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)C(C)=C3CCC3)CC2)cc1	825600781	TXMYQMLPZWWQSW-UHFFFAOYSA-N	314.429	3.281	10	20	DGCD	
CCOC(=O)[C@]1(C)CCC[C@H]1NCc1ccc(OCC)cc1O	827750528	IPDSLTVUSLSLKQ-SJLPKXTDSA-N	321.417	3.002	10	20	DGCD	
Cc1cc(CN(C)C[C@H]2CCOC2)ccc1N1CCCCC1	827990043	AXLGBYFMQMKGJI-GOSISDBHSA-N	302.462	3.454	10	20	DGCD	
Cc1cccc(CN2CC[C@](C)(C(=O)OC(C)(C)C)C2)c1O	835071626	ZYUKNMVSWXZUMS-SFHVURJKSA-N	305.418	3.254	10	20	DGCD	
C[C@H](CCCC(F)(F)F)NC[C@H](N)c1ccc(N(C)C)cc1	841045530	MKZQKWLUGHQZAA-DOMZBBRYSA-N	317.399	3.463	10	20	DGCD	
CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1	841298323	ADTBJRFFWLMIBO-IUODEOHRSA-N	316.405	3.113	10	20	DGCD	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCCc1ccc(N)cc1	841957328	HTLSPSKLVLYYOS-HNAYVOBHSA-N	323.440	3.399	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)c1	845973351	YDGAEDGCRRLBSF-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
CCNC(=O)c1cccc(N[C@@H](C)c2cccc(OC)c2O)c1	846159997	OWPKPSOWXHJEIZ-LBPRGKRZSA-N	314.385	3.324	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(N(C)C)cc1	850503120	ULOSYEHWYMGLSQ-OBUYZQBDSA-N	322.518	3.483	10	20	DGCD	
c1cc(CNCCCSc2nccs2)c2cn[nH]c2c1	858141965	VAHHDYKSFNCPNX-UHFFFAOYSA-N	304.444	3.291	10	20	DGCD	
Cc1ncsc1CCNCc1cc(F)c(N(C)C)cc1F	858172613	DAKFHCWEDFAMOG-UHFFFAOYSA-N	311.401	3.128	10	20	DGCD	
C[C@@H](NCC(=O)NC1(c2ccccc2)CCC1)c1ccccc1O	879648188	CSROGGQQFUJDBS-OAHLLOKOSA-N	324.424	3.238	10	20	DGCD	
CC[C@@H](O)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1	881383731	XOEGIOMBWUAZAF-GOSISDBHSA-N	314.433	3.069	10	20	DGCD	
COc1cc(C)cc(CN2CCCC[C@@H]2c2ncc[nH]2)c1O	893987265	QDMQSDDZKSMAEQ-CQSZACIVSA-N	301.390	3.160	10	20	DGCD	
CCCC(=O)N1CCCC[C@@H]1CNCc1ccc(OC)c(C)c1	1024846423	XVYPYLCYRJFPMV-QGZVFWFLSA-N	318.461	3.274	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)O)c1)c1ccccc1O	1599839776	URSGCNXLQZPWOR-SECBINFHSA-N	318.304	3.112	10	20	DGCD	
Cc1ccc(NCCCSc2nccs2)nc1C(=O)O	1600460445	VZMBSFPYIZKZNF-UHFFFAOYSA-N	309.416	3.139	10	20	DGCD	
CCN(C)c1ccc(CNCC2(CC(=O)O)CCC2)c(C)c1	1776856412	TYFFLCXJMCDJEK-UHFFFAOYSA-N	304.434	3.186	10	20	DGCD	
CN(C)c1ccc(CN(c2ncc(C(=O)O)s2)C2CC2)cc1	1777039603	DMMSJRSYOCFERG-UHFFFAOYSA-N	317.414	3.076	10	20	DGCD	
Cc1ccccc1CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186374866	APEVEUJRFRZRDZ-CQSZACIVSA-N	313.397	3.086	10	20	DGCD	
CO[C@H](C)c1nc(CN(C)c2ccc3c(c2)OCO3)cs1	121266627	WDBWNWYMOYEUPY-SNVBAGLBSA-N	306.387	3.216	10	20	DGCD	
Oc1ccccc1CNC[C@@H](O)c1ccc(C(F)(F)F)cc1	318262743	IQXYCHWDYOFJRU-OAHLLOKOSA-N	311.303	3.234	10	20	DGCD	
CCCCO[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)C1(C)C	185791542	UVJNNKZMMMWQJU-GJZGRUSLSA-N	321.417	3.154	10	20	DGCD	
C[C@H](NCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1O	185113403	GNFJHRQRSHPDTJ-QMMMGPOBSA-N	300.189	3.283	10	20	DGCD	
O=C(C[C@H]1C=CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	71808908	ZJQOTHYXSXNVJW-RDJZCZTQSA-N	315.413	3.256	10	20	DGCD	
COc1cc(Cl)cc(CN2CCSCC[C@@H]2C)c1O	191816928	MJNRMUUVJXGFQX-JTQLQIEISA-N	301.839	3.382	10	20	DGCD	
C[C@H](NCCn1ccnc1)c1cc(Cl)c(Cl)cc1O	192604366	BMGOPHQFFCUESA-VIFPVBQESA-N	300.189	3.246	10	20	DGCD	
O=C(CSc1nccs1)Nc1ccnn1C1CCCC1	48874586	AIQXDAQFVXXZLJ-UHFFFAOYSA-N	308.432	3.186	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc(-c2ccccc2)on1	136941512	MFRYHDMOKHPIFZ-UHFFFAOYSA-N	308.337	3.319	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@H]2CCC[C@@H]2O)c1O	275335908	NVVZAMHDIXHAIK-XDTLVQLUSA-N	314.223	3.027	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H](C3CCOCC3)C2)cc1F	370724550	YTJPTQHGINPIMO-MRXNPFEDSA-N	306.425	3.140	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	377647897	NNEIFUIVXQVVLB-KURKYZTESA-N	316.445	3.057	10	20	DGCD	
CCCN(Cc1cnc([C@H](C)O)s1)c1ccc(CN)cc1	289799733	SGWIMTZCHFHONK-LBPRGKRZSA-N	305.447	3.072	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1cccnc1C	289109426	SMVYPRUWOHPFPD-UHFFFAOYSA-N	312.413	3.467	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N3CCOCC34CC4)c2C)c1	802293606	FRXWXFZDZJXDIK-UHFFFAOYSA-N	324.424	3.408	10	20	DGCD	
CN(C)C(=O)Nc1cccc(NCc2ccc(N(C)C)cc2)c1	294728929	DFFGLWSLXISZBY-UHFFFAOYSA-N	312.417	3.458	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2CC(=O)N(C(C)C)C2)c1O	808707525	RHGMIQDQNVIJDE-AAEUAGOBSA-N	310.825	3.014	10	20	DGCD	
Cc1cc(C2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)[nH]n1	293775830	LGMVSWHQSUWESQ-UHFFFAOYSA-N	312.461	3.472	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1nc(CC)no1	296804887	PQIUUPNEIFDCGQ-UHFFFAOYSA-N	318.377	3.172	10	20	DGCD	
CCC(=O)N1CC[C@H](N[C@@H](C)c2cc(Cl)cc(C)c2O)C1	808702199	CPPIMRDUHSCWAZ-AAEUAGOBSA-N	310.825	3.016	10	20	DGCD	
CCNCCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1	817942668	CNXBEKUZDBJZJJ-HNNXBMFYSA-N	307.457	3.466	10	20	DGCD	
CC[C@H](N)CN[C@H](C)c1cc(Br)cc(Cl)c1O	817979319	JMRUBEBPHQOYOJ-APPZFPTMSA-N	321.646	3.196	10	20	DGCD	
C[C@@H](NC[C@H]1CCCNC1)c1cccc(C(F)(F)F)c1O	817945721	KHTDIWDQOOKLFM-MNOVXSKESA-N	302.340	3.061	10	20	DGCD	
Cc1cccc2c1OC[C@H](NCc1c(O)cccc1Cl)C2	810178378	OAXGVWBGYZHQGQ-CYBMUJFWSA-N	303.789	3.447	10	20	DGCD	
Cc1cc(O)c(CNC[C@@]2(CO)C[C@H]2c2ccccc2)cc1C	810165431	RYGBXNXYHQYKGH-AZUAARDMSA-N	311.425	3.265	10	20	DGCD	
CCC[C@@H](C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819583584	XQYVTVAGKDUWNA-HZPDHXFCSA-N	318.461	3.464	10	20	DGCD	
CC(C)N1CC[C@H](N(C)Cc2cc(Cl)cc(F)c2O)C1	825338637	RXNLVYDIQYSZJD-ZDUSSCGKSA-N	300.805	3.099	10	20	DGCD	
Cn1cc(/C=C/C(=O)N(Cc2ccsc2)c2cccnc2)cn1	726369551	XPNOZGQHRIBSEP-SNAWJCMRSA-N	324.409	3.123	10	20	DGCD	
COC(=O)c1ccc2c(c1)CN(Cc1cc(C)c(C)cc1O)C2	730254818	KSMHEPQMFRBMEA-UHFFFAOYSA-N	311.381	3.311	10	20	DGCD	
O=C(O)CC[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1O	903697230	GXUJKKTWQMIFRR-LBPRGKRZSA-N	315.772	3.404	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(CCO)cc2)c2c(O)ccc(F)c21	903404252	YZPGHRWSWOTEPB-BLLLJJGKSA-N	315.388	3.404	10	20	DGCD	
COCC1(C)CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1	839144520	YMIMCLGLOTXMIL-UHFFFAOYSA-N	316.367	3.240	10	20	DGCD	
CCCSCC(=O)NCc1ccc(N(CC)CC)c(F)c1	731346519	LIXSPMXEROPQHY-UHFFFAOYSA-N	312.454	3.431	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCCSC)cc1	736393149	ZKOHYYJDDRCDJX-UHFFFAOYSA-N	323.506	3.427	10	20	DGCD	
Cc1cc(Br)cc(CNC[C@H]2CC[C@H](C)O2)c1O	835085970	ADWVOYQVHJAYNT-GXFFZTMASA-N	314.223	3.120	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	916587452	IAQIONZDMKNOTK-HZPDHXFCSA-N	315.461	3.474	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2ccn(C(C)C)n2)cc1	844400689	GLYKUAFJXMTCLN-UHFFFAOYSA-N	316.449	3.041	10	20	DGCD	
Fc1cc(CN2CC[C@@H](C3CCC3)C2)ccc1N1CCOCC1	840977222	GJRDUYOJBOXZCM-QGZVFWFLSA-N	318.436	3.284	10	20	DGCD	
Oc1c(Cl)cccc1CNCC[C@H]1COc2ccccc2O1	841888874	UEILUGZWQJGKJD-ZDUSSCGKSA-N	319.788	3.365	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)C[C@@H](C)N)c2C)c1	843504278	PBYRAVYPHRDAFD-KGLIPLIRSA-N	313.445	3.258	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](O)CCc2ccccc2)c1O	846161987	DOTKTIBTDPLGGI-GOEBONIOSA-N	315.413	3.045	10	20	DGCD	
CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	840540685	WFUOMFFEKXQOMA-VNAHCXKQSA-N	303.402	3.442	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)[C@H]1CCCOC1	840892664	BWXKOLOGXKHLFU-JZXOWHBKSA-N	304.478	3.397	10	20	DGCD	
C[C@@H](NCC1(N(C)C)CC1)c1ccc(Cl)c(Cl)c1O	841764279	VFPCYZSZJHGOPY-SECBINFHSA-N	303.233	3.444	10	20	DGCD	
C[C@H](NCCC1CC(O)C1)c1ccc(N2CCCCC2)cc1	762649528	NHEGVNNYGGBHGS-LYGPFTKASA-N	302.462	3.489	10	20	DGCD	
COc1ccc(N(CCCc2nc(C)no2)CC(C)C)cc1	763514371	FVPYNSONTNNPHT-UHFFFAOYSA-N	303.406	3.482	10	20	DGCD	
COc1ccc(N(C)Cc2cnc3ccc(C)cn23)cc1OC	761222230	RNQYWWXNIJQEBR-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
Cc1cc(C(=O)NCc2cccc(Br)c2O)oc1C	765766033	UXECXZVITFKJHE-UHFFFAOYSA-N	324.174	3.295	10	20	DGCD	
C[C@@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1O	879648290	IQRJSHRORDPNBH-UKRRQHHQSA-N	312.369	3.068	10	20	DGCD	
CC[C@@H](CSC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773440874	GZXGVGKTNFNZGJ-OCCSQVGLSA-N	309.479	3.254	10	20	DGCD	
CCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)nc1	775370738	PVMHBHMIZOKBOY-GFCCVEGCSA-N	302.374	3.045	10	20	DGCD	
CCN(C)c1ccc(CN(C)[C@H]2CCCc3c2cnn3C)cc1	773808151	NUGJXCUNJDNJCH-SFHVURJKSA-N	312.461	3.386	10	20	DGCD	
Cc1cccc(O)c1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1	876810520	ANJPUINYTUSPRM-CRAIPNDOSA-N	300.446	3.149	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1c(O)cccc1F	886553897	XRDBRDPSOHHGOL-OZVIIMIRSA-N	311.422	3.237	10	20	DGCD	
C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1c(O)cccc1F	886540690	JGIIKNKFWPPRNA-SECBINFHSA-N	317.286	3.141	10	20	DGCD	
COc1cc(C)cc(CNCCCCC(=O)OC(C)(C)C)c1O	894371948	HZQYEDLDPNWRHF-UHFFFAOYSA-N	323.433	3.311	10	20	DGCD	
CC[C@H](C)N(CC(=O)OC)Cc1cc(Cl)cc(Cl)c1O	798955216	MEPFSRSHEZBHKM-VIFPVBQESA-N	320.216	3.473	10	20	DGCD	
CCC(CC)(CC)CNC(=O)NCc1ccc(OC)cc1O	792995609	LVBYDAQFRBFHOC-UHFFFAOYSA-N	308.422	3.416	10	20	DGCD	
CC(C)(O)CNCc1ccc2c(c1)CCN2Cc1ccccc1	796297570	IXQMLNRIPPTERP-UHFFFAOYSA-N	310.441	3.110	10	20	DGCD	
CN1CCCC(C)(C)[C@H]1CNCc1cc(Cl)cc(F)c1O	790928613	VVYKXYOKFFKWOD-CQSZACIVSA-N	314.832	3.395	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCc3ccc(F)cc3)C2)cc1	76361084	DZGNCUZVZCFQRN-MRXNPFEDSA-N	314.404	3.450	10	20	DGCD	
CCC[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1	1181751544	YRJKGKWLEITVPN-WMLDXEAASA-N	318.461	3.130	10	20	DGCD	
Cc1cc(C(=O)N2CCCSC2)c(C)n1-c1ccccn1	1336092717	BLJJPYWUTDXOSR-UHFFFAOYSA-N	301.415	3.026	10	20	DGCD	
CN(C(=O)c1cccc2c1CCNC2)c1cccc2cccnc12	1578391669	HUJZMOSYITZJNU-UHFFFAOYSA-N	317.392	3.157	10	20	DGCD	
Clc1cnc(SCc2ccc(-c3nn[nH]n3)cc2)s1	1581745539	IPMVWJBRJVMKTF-UHFFFAOYSA-N	309.807	3.269	10	20	DGCD	
Cc1ncccc1/C=C\C(=O)N1CC[C@H](C(=O)O)c2ccccc21	1594471239	UPKSZGDZLCGCFS-QWGSZXSUSA-N	322.364	3.008	10	20	DGCD	
CC(C)(C)SC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1776266950	BYXVQGHFIIGYGI-AWEZNQCLSA-N	323.458	3.086	10	20	DGCD	
C[C@H]1CCC[C@]1(NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1776636685	ZYGZVNVOMZQTSU-RMLUDKJBSA-N	318.200	3.432	10	20	DGCD	
CN(C)c1ccc(CNCCC(=O)Nc2cccc(F)c2)cc1	818942059	WTXBGLCPGXQDOA-UHFFFAOYSA-N	315.392	3.010	10	20	DGCD	
C[C@@H]1C[C@H](CNCc2cc(Br)ccc2O)[C@@H](C)O1	686512202	NWYRPXWOQCSKDM-GMTAPVOTSA-N	314.223	3.058	10	20	DGCD	
C[C@@H](Cc1cccc(F)c1)C(=O)NCc1ccc(N(C)C)cc1	66017525	GNJAIQYLVUQYEH-AWEZNQCLSA-N	314.404	3.387	10	20	DGCD	
CC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	69638159	HWBDFXJRHXWVGQ-QAPCUYQASA-N	318.461	3.306	10	20	DGCD	
c1ccc2c(c1)CC[C@H]2CNCc1ccc(N2CCOCC2)cc1	111390639	XEUOBUKTAWUZTR-IBGZPJMESA-N	322.452	3.343	10	20	DGCD	
Cc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1C	111236431	IDUFYDSNSRDKFP-OAHLLOKOSA-N	312.413	3.468	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1nc2ccccc2n1C	175027134	VNURXJGLBMJODH-UHFFFAOYSA-N	322.412	3.038	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2cccc(C#N)c2)c1	182463115	OLGJFECSIYCTFE-ZDUSSCGKSA-N	312.369	3.002	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC[C@H]1C[C@H](O)c1ccco1	180271185	ZNMDLUJMBGSTGE-HOCLYGCPSA-N	305.349	3.212	10	20	DGCD	
CCc1cccc(S(=O)(=O)Nc2ccc(O)cc2CC)c1	189428512	BVPBSSNJTXFKHH-UHFFFAOYSA-N	305.399	3.318	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(C(N)=O)cc2)cc1Cl	121915810	WZGBMOCEUPOUIB-UHFFFAOYSA-N	304.777	3.084	10	20	DGCD	
CCCN(C(=O)c1cccc(O)c1O)[C@H]1C[C@@H](OCC)C1(C)C	185719873	FEHXDIHETAJXQA-LSDHHAIUSA-N	321.417	3.154	10	20	DGCD	
CC(C)=CCNC(=O)NCc1ccc(N2CCSCC2)cc1	191151343	UQSXJKKEXIKTIZ-UHFFFAOYSA-N	319.474	3.005	10	20	DGCD	
CCCOc1ccc(CNC[C@H](O)c2ccc(C)cc2)c(O)c1	236820650	JBESSKCRVFSINS-IBGZPJMESA-N	315.413	3.313	10	20	DGCD	
COCc1cc([N+](=O)[O-])ccc1NCc1ccc(N(C)C)cc1	265974388	CKXBNUZYGNSZAL-UHFFFAOYSA-N	315.373	3.419	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCCCC(F)(F)F)cc1F	266579303	UQKIFAIRNZACKP-UHFFFAOYSA-N	321.318	3.033	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H]2c2cn(C)nc2C)c1O	362335530	LSGFWKPTMCWCAB-MRXNPFEDSA-N	315.417	3.170	10	20	DGCD	
CCCN(Cc1cccc(OC)c1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	271214398	WGKBRNBHSLDTCJ-ZTFGCOKTSA-N	319.445	3.426	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H](CO)c2c(F)cccc2F)c(O)c1	273537013	XPYYPFUAFJEDBV-IAQYHMDHSA-N	307.340	3.363	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ncnn2-c2ccccc2)c(O)c1C	279620524	YEMOSZLODHNEEH-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
CC(C)=CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	277152166	BFUCMXBIBNQEMW-UHFFFAOYSA-N	322.792	3.166	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccncc1	273588292	OKANEGXOUXJABF-ABAIWWIYSA-N	301.346	3.497	10	20	DGCD	
Cc1ccc([C@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c(O)c1	273460553	ICGWDFITQLYFPQ-ZDUSSCGKSA-N	319.426	3.418	10	20	DGCD	
CC[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1O	286080788	LNOVCNOFXXNVIF-HOCLYGCPSA-N	315.392	3.246	10	20	DGCD	
CC(C)OC[C@H]1CN(Cc2c(O)ccc3ccccc23)CCO1	372117454	SRDPEZWNJDPUCX-MRXNPFEDSA-N	315.413	3.171	10	20	DGCD	
COc1cccc(CN[C@@H]2CCOc3c(F)cccc32)c1O	372897797	QHOLTQAWAMAEQM-CQSZACIVSA-N	303.333	3.153	10	20	DGCD	
CC[C@H](N[C@H](C(=O)N(C)CC)C(C)C)c1ccc(C)cc1O	296537919	QUVLYPJSXSJCDI-RDJZCZTQSA-N	306.450	3.244	10	20	DGCD	
COc1cccc(CNC/C=C\c2ccc(F)cc2F)c1O	809740715	BIDNWTBEKJDDJT-HYXAFXHYSA-N	305.324	3.482	10	20	DGCD	
CC[C@H]1CC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1	806132961	DNEYRTOWOXCZOP-HKUYNNGSSA-N	302.462	3.174	10	20	DGCD	
C[C@@H]1[C@@H](N2CCCC2)CCN1Cc1cc(Cl)cc(F)c1O	809724015	CUKNVMPEOPQTII-ABAIWWIYSA-N	312.816	3.243	10	20	DGCD	
CC[C@H](N[C@@H](CN)C1CC1)c1cc(Cl)cc(Cl)c1O	817961367	XTUKCSVSHFUNTJ-STQMWFEESA-N	303.233	3.477	10	20	DGCD	
Oc1cc(OCc2ccccc2)ccc1CNCCc1cn[nH]c1	811512655	IVTHHSBUUACSKL-UHFFFAOYSA-N	323.396	3.027	10	20	DGCD	
COc1cc(O)c(CN(C)C2CC(OC(C)(C)C)C2)cc1OC	817374296	WBFRQPSBDKHROV-UHFFFAOYSA-N	323.433	3.187	10	20	DGCD	
CN(Cc1cc(Cl)c(F)cc1O)C[C@@H]1CCCC[C@H]1O	816564438	GFKFHRYIXDOZEO-IINYFYTJSA-N	301.789	3.168	10	20	DGCD	
C[C@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1ccc(N(C)C)cc1	813875180	IGPGVLIFSZUHOG-RIVXBTQJSA-N	302.462	3.344	10	20	DGCD	
Cc1ccc(C(=O)OCCO[C@H]2CCCC[C@H]2C)c(O)c1O	727004062	MBUFOYVZWIXESH-RISCZKNCSA-N	308.374	3.158	10	20	DGCD	
CCOC(=O)CN(Cc1cccs1)Cc1ccccc1O	822511500	GQLBQTURIQJZPA-UHFFFAOYSA-N	305.399	3.019	10	20	DGCD	
O=C(NCc1ccc(N2CCSCC2)cc1)C1CC2(CC2)C1	822554563	ZJLHIAKDRQDETC-UHFFFAOYSA-N	316.470	3.046	10	20	DGCD	
CC[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1cc(Cl)ccc1O	834912255	BXCLSODTYVGITL-VHDGCEQUSA-N	322.836	3.240	10	20	DGCD	
CCN(CC)Cc1csc(NC(=O)c2cc(O)cs2)n1	732276077	FUCUYEUDEGIECQ-UHFFFAOYSA-N	311.432	3.004	10	20	DGCD	
CCC1(c2ccccc2)CN(C(=O)c2c(F)ccc(O)c2O)C1	839797350	NRMAFYIJWTYWAH-UHFFFAOYSA-N	315.344	3.041	10	20	DGCD	
CC(C)N(C)Cc1ccccc1CNC(=O)c1cc(O)cs1	731869875	PZFZCWFQVOEPPX-UHFFFAOYSA-N	318.442	3.224	10	20	DGCD	
Oc1cccc2c1[C@@H](N[C@H]1COc3cc(F)cc(F)c31)CC2	834765544	NGBQWEKNWCNXGI-STQMWFEESA-N	303.308	3.381	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1CC1CC1	830511741	WVWATZJOXAPOQP-UHFFFAOYSA-N	323.400	3.025	10	20	DGCD	
O=C(O)[C@@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	840997444	KBSAEFCWKZMZOG-KRWDZBQOSA-N	302.418	3.116	10	20	DGCD	
C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1O	841761813	GWEFPGBJMPDOST-GIGQVBGESA-N	303.855	3.243	10	20	DGCD	
C[C@H]1CCC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2	743590332	FQJOVMULGYPRNW-BLLLJJGKSA-N	302.418	3.259	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2NCc1ccc(N(C)C)cc1C	840934816	XZVUTCHLDKNCKN-GOSISDBHSA-N	310.445	3.327	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H](OC3CCC3)C2)c1O	848925073	MHOAIKPGULKCAE-MRXNPFEDSA-N	305.418	3.324	10	20	DGCD	
Cc1cc(CN2CCC(C(=O)O)CC2)c(O)c(C(C)(C)C)c1	740078747	GIHQKXDARLQXCH-UHFFFAOYSA-N	305.418	3.295	10	20	DGCD	
COc1cccc([C@@H](C)NC2CCN(CC(C)C)CC2)c1O	846139553	VHDQAZBGJXLOMN-CQSZACIVSA-N	306.450	3.172	10	20	DGCD	
Cc1cccc(CN(Cc2ccccc2)[C@@H]2CCCNC2)c1O	843051779	DPGVNBBSAGCUID-LJQANCHMSA-N	310.441	3.455	10	20	DGCD	
Cc1cccc([C@@H](C)CNC(=O)NCCc2ccc(N)cc2)c1	841834409	QRTKXHZUYWRXDJ-HNNXBMFYSA-N	311.429	3.223	10	20	DGCD	
CCOc1ccc(CNc2nc(CC(C)C)ns2)c(O)c1	849348012	XCLDFHULNLAVIV-UHFFFAOYSA-N	307.419	3.453	10	20	DGCD	
Oc1ccccc1CN1CCNC[C@H]1c1cccc(Cl)c1	843115131	NSPSTALLWBDMMC-INIZCTEOSA-N	302.805	3.192	10	20	DGCD	
CCO[C@H](CCN[C@H](C)c1cc(C(=O)OC)ccc1O)C(C)C	756629306	PFVMLLKYOBTXKG-CXAGYDPISA-N	323.433	3.281	10	20	DGCD	
C[C@H](N[C@H]1CC[C@H](O)CC1)c1cc(Br)ccc1O	756771359	WGWLEJDWPLQMPP-DLOVCJGASA-N	314.223	3.109	10	20	DGCD	
C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc2ccccc2c1O	756383698	ZYJUHGNYUNYLAR-SCLBCKFNSA-N	320.392	3.423	10	20	DGCD	
COCC[C@H](C)N[C@@H](C)c1cc(Br)c(F)cc1O	756528746	WOVKGYLXFVFGGF-IUCAKERBSA-N	320.202	3.369	10	20	DGCD	
COc1cc(O)c(CN(Cc2ccccn2)C(C)C)cc1OC	768444336	XPWHUGHZFIOIAF-UHFFFAOYSA-N	316.401	3.215	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	862130039	ACQFUJGVOCNPCN-DJIMGWMZSA-N	313.784	3.248	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(OC)c2F)c1	769980444	MCBKBWPCEVBEBB-SNVBAGLBSA-N	319.332	3.500	10	20	DGCD	
CN(Cc1c(O)cccc1Cl)C[C@H]1COc2ccccc2O1	768181633	SJVNSOBTEKXXGN-LBPRGKRZSA-N	319.788	3.317	10	20	DGCD	
COc1ccc(N2CCC(NC3CC(C(F)F)C3)CC2)cc1	768687296	NLQKTXOQIYSJGX-UHFFFAOYSA-N	310.388	3.297	10	20	DGCD	
COc1cccc(O)c1CN1C[C@H](C)O[C@@H](c2ccsc2)C1	769514406	LYDOOKOLZRLEST-YVEFUNNKSA-N	319.426	3.424	10	20	DGCD	
Cc1c(C(=O)N(C)c2ccc(N)cc2)cnn1CCC(C)C	877076085	LZEUIQNUYXKMPU-UHFFFAOYSA-N	300.406	3.096	10	20	DGCD	
Cc1c(NCc2cc([N+](=O)[O-])ccc2O)cnn1CC(C)C	774824889	ZGCUEFFZUCQSDA-UHFFFAOYSA-N	304.350	3.073	10	20	DGCD	
C[C@@H](CCCNCc1cc(Cl)cc(Cl)c1O)C(=O)O	1116779165	FXKAECZTLLMTJF-QMMMGPOBSA-N	306.189	3.290	10	20	DGCD	
Cc1cc(=NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c[nH]1	775698189	UDZFFUGWCWSRHK-AWEZNQCLSA-N	312.417	3.069	10	20	DGCD	
COC(=O)C(C)(C)[C@H]1CCCN(Cc2cc(C)ccc2O)C1	779604131	HJXORRQJLCKTMM-HNNXBMFYSA-N	305.418	3.112	10	20	DGCD	
COC1CCN(C(C)(C)CN[C@H](C)c2c(O)cccc2F)CC1	886524823	RRTUDXZELARYOO-CYBMUJFWSA-N	324.440	3.071	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)Nc2conc2C)cc1	888750949	OSHVUQYBKMRBKC-UHFFFAOYSA-N	316.405	3.493	10	20	DGCD	
COc1ncc(/C=C/C(=O)N2CCCc3cc(C)cc(C)c32)cn1	776322531	ZPWNYBYDSFVQIY-VOTSOKGWSA-N	323.396	3.095	10	20	DGCD	
COC[C@H](NCc1ccc2c(c1)CCCN2C)C1CCCC1	783229856	JAPCDMJMCPVHMD-SFHVURJKSA-N	302.462	3.364	10	20	DGCD	
CCCOc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1	780882632	KBNOVFAXMHXVQY-UHFFFAOYSA-N	301.342	3.447	10	20	DGCD	
CS[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C	783925490	ZBBDBVHPGCWCLL-OAHLLOKOSA-N	323.506	3.330	10	20	DGCD	
Cc1cccc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)c1C	793570349	MJFJKTZQXDSHRS-SFHVURJKSA-N	313.397	3.067	10	20	DGCD	
COc1ccc(CNC(=O)NCC2CCC(C)CC2)c(O)c1	792903610	IUNCERXBHBJWHA-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(O)c1O	790511896	NMNHZTPPZVDEEK-UHFFFAOYSA-N	319.386	3.249	10	20	DGCD	
CC[C@H](NC[C@@H]1CCCN(C(C)=O)C1)c1cc(Cl)ccc1O	794834325	MVACMOMYRXPQNQ-BBRMVZONSA-N	324.852	3.345	10	20	DGCD	
COCCC1(NCc2cc(Br)ccc2O)CCC1	793329651	QURYKDJEGMFUKE-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
CC[C@H](C)C(=O)N1CCC[C@@H](NCc2ccc(OC)c(C)c2)C1	998576526	FXHKJDMDPFYGTL-WMLDXEAASA-N	318.461	3.130	10	20	DGCD	
CCN(CC)C[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1319828787	NACDEQGARIKQRX-LJQANCHMSA-N	315.505	3.451	10	20	DGCD	
O=C(NCc1cccc(Cl)c1Cl)c1cccc(O)c1O	693712825	UHZNRXLQMPGWGL-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
CN(Cc1ccn(CCc2ccccc2)n1)Cc1ccccc1O	1347840146	ONQBSTOEDATHDB-UHFFFAOYSA-N	321.424	3.463	10	20	DGCD	
CCC1(c2ccccc2)CN(C(=O)NCc2ccc(N)cc2)C1	1353540010	RQWWOVWULMXUIC-UHFFFAOYSA-N	309.413	3.142	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnoc2C(C)C)c1	1351666641	MWHQBTCDLZQGTJ-JTQLQIEISA-N	304.346	3.003	10	20	DGCD	
C[C@@H](N[C@H]1CCc2ccccc2C1)c1cc(C(=O)O)ccc1O	1604326292	GNKJTAZBQXQKSU-WBMJQRKESA-N	311.381	3.299	10	20	DGCD	
Cc1cc(O)c(CN2CCC(CCC(=O)O)CC2)cc1Cl	1607700075	RPBVKEFAOSJAJH-UHFFFAOYSA-N	311.809	3.431	10	20	DGCD	
CN(C)c1ccc(/C=C(/CC(=O)O)c2ccc(C=O)o2)cc1F	1777039262	VBEFJECRIWTFHN-GHXNOFRVSA-N	317.316	3.313	10	20	DGCD	
CC[C@H](SC)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	153461498	RSSSCSWJIIRZNZ-ZBFHGGJFSA-N	323.458	3.041	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(N(C)C)c(F)c1)N2	153706096	QVKHGVRUZOJTJC-KRWDZBQOSA-N	313.376	3.396	10	20	DGCD	
C[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	155675568	SXVONAICEMATHD-INIZCTEOSA-N	313.445	3.394	10	20	DGCD	
CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	155815293	AMGJHNVOFOXYQL-ZFWWWQNUSA-N	320.433	3.442	10	20	DGCD	
CC[C@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1	157455596	LGZYDIDSMBXWLL-INIZCTEOSA-N	306.425	3.427	10	20	DGCD	
Cc1cc(Br)cc(CN2CCC[C@H](F)C2)c1O	689909021	ZVQBMHCYEHKUHG-LBPRGKRZSA-N	302.187	3.397	10	20	DGCD	
CN(CCCNCc1c(O)cccc1Cl)CC(F)(F)F	113322080	FBZIGVRMRZKJQF-UHFFFAOYSA-N	310.747	3.019	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2c2sccc2C)c1	133599014	VGAPUNAKEUDDSS-KGLIPLIRSA-N	317.410	3.191	10	20	DGCD	
CC(C)(C(=O)O)[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	135050862	ZWGMULXMXRFWQL-LBPRGKRZSA-N	311.809	3.368	10	20	DGCD	
CC[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N(C)C)cc1	166606404	DCUIXZLUPVLNKX-SLFFLAALSA-N	310.441	3.452	10	20	DGCD	
CC[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	176328561	VZCLRRVREQBRJE-OAHLLOKOSA-N	301.434	3.228	10	20	DGCD	
CC[C@](C)(NC(=O)c1ccc(C)c(O)c1O)c1nc(C)cs1	179516436	HAQFKFADNQZUCR-INIZCTEOSA-N	320.414	3.226	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@@H](c1ccco1)N1CCCC1	180393955	MYHWBGJCJACSBH-HNNXBMFYSA-N	304.365	3.051	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOCc2ccccc2)c1	185633140	ODGKCSBTNPDGBC-CQSZACIVSA-N	301.386	3.268	10	20	DGCD	
C[C@@H](NCCCCCCO)c1cc(Br)ccc1O	186230947	CJXZJRJPSDZQSX-LLVKDONJSA-N	316.239	3.358	10	20	DGCD	
CCC[C@@H](O)CN[C@H](C)c1cc(Br)cc(C)c1O	187197590	JBVKTNRTXPPONZ-ZYHUDNBSSA-N	316.239	3.275	10	20	DGCD	
CC(C)(CCCO)CNCc1cccc(Br)c1O	221384381	CNDXBOZKNJBMMF-UHFFFAOYSA-N	316.239	3.043	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H](N)c1ccccc1	236732448	HXDBBHKQTRNJGP-KRWDZBQOSA-N	312.413	3.221	10	20	DGCD	
CC1CCN(CCNCc2ccc(N3CCCCC3)cc2)CC1	236847604	KCHGVTKLZRVOEL-UHFFFAOYSA-N	315.505	3.498	10	20	DGCD	
CC(C)[C@H](CCO)N[C@H](C)c1ccc(Br)cc1O	273596460	QVLUVGGHOCANBF-MFKMUULPSA-N	316.239	3.212	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(N(C)C)cc2)[C@]12CCCO2	274197508	KXONOWXSYRSDFS-ZWQIFLOQSA-N	318.461	3.130	10	20	DGCD	
CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1O	278369213	BYUNYPIBLQJQHP-IUCAKERBSA-N	319.232	3.216	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)N[C@@H](C)CN(C)C)c1O	287160491	TYOFUHPSHFAGPC-QWRGUYRKSA-N	315.255	3.064	10	20	DGCD	
CC[C@H](NC[C@H]1CCc2nccn2C1)c1ccc(F)cc1O	287675872	VZPUOQPYEZOQOV-DOMZBBRYSA-N	303.381	3.031	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](O)CC1	295081556	ZKSCJPQYRBFYIF-AWEZNQCLSA-N	318.442	3.143	10	20	DGCD	
Cc1nnc(CN2CCCc3cc(OC(F)F)ccc32)s1	378399393	RKSITIAKMKMLGT-UHFFFAOYSA-N	311.357	3.401	10	20	DGCD	
CCc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ncn1	603370824	ZQCAVLLKHVKZQX-UHFFFAOYSA-N	305.385	3.209	10	20	DGCD	
C[C@H](Cc1ccccn1)NCc1ccc(Br)cc1O	694062847	AUAIXFVWEJXBPL-LLVKDONJSA-N	321.218	3.271	10	20	DGCD	
CC1CCN(c2ccc(CNC(=S)NC(C)C)cc2)CC1	730953458	ZNPCEUNEMFYJRV-UHFFFAOYSA-N	305.491	3.295	10	20	DGCD	
CSc1ccc(O[C@H](C)C(=O)NCc2ccccc2O)cc1	740925266	LQVIKNXFTFKMHV-GFCCVEGCSA-N	317.410	3.198	10	20	DGCD	
CCC[C@H](O)CN[C@H](C)c1cc(Br)c(F)cc1O	756578000	UQHLDGIBLCRITA-BDAKNGLRSA-N	320.202	3.105	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Cl)ccc1O	756582124	GJWDGBXSBHTWNM-OBJOEFQTSA-N	324.852	3.343	10	20	DGCD	
CC(C)(C)CCNC(=O)NCCCSc1nccs1	759562268	LSSXDTUHOXPCIY-UHFFFAOYSA-N	301.481	3.361	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CC(=O)NCc1ccccc1	766269424	KDDWAYKWSLDEER-UHFFFAOYSA-N	324.424	3.154	10	20	DGCD	
CCN(CC)c1ccc(CN(CCOC)CC(F)F)cc1F	769305187	JXGXDQBKDGBMQH-UHFFFAOYSA-N	318.383	3.385	10	20	DGCD	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccccc1O	770504533	IJPPRGIEEZUEDH-ZFWWWQNUSA-N	320.433	3.270	10	20	DGCD	
CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O	770506245	OMWZKGZKEGJWCF-QWHCGFSZSA-N	309.431	3.200	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@H](O)C(C)C)c1C	770624609	LGMMCWDASNAMIC-SFHVURJKSA-N	314.429	3.149	10	20	DGCD	
COCCOC[C@@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1O	774254830	RDVSQGHNURNERI-ZJUUUORDSA-N	322.232	3.401	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H]2C2CCOCC2)c(O)c1	777439505	IYBBJJRKXGGHFF-QGZVFWFLSA-N	305.418	3.182	10	20	DGCD	
Cc1cc(C(=O)N2CCc3ccncc32)c(C)n1-c1ccccn1	779446486	KLJKLGJKVAFPOO-UHFFFAOYSA-N	318.380	3.087	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC(=O)c2ccccc21	789646669	NGOSSZZFHGBELW-SFHVURJKSA-N	322.408	3.047	10	20	DGCD	
CCOC(=O)c1cc(NCc2c(O)cccc2Cl)cn1C	809754831	BNTJLULPOHYDCX-UHFFFAOYSA-N	308.765	3.173	10	20	DGCD	
Cc1cc(CN(C)C[C@H](O)Cc2ccccc2)ccc1N(C)C	815121338	KYIZKHFHVICDHM-LJQANCHMSA-N	312.457	3.096	10	20	DGCD	
COC(=O)CCC[C@H]1CCC[C@@H](NCc2ccccc2O)C1	815122874	QJTQQQWGJWMRSR-GDBMZVCRSA-N	305.418	3.384	10	20	DGCD	
Cc1nn(C)c2ncc(NCc3cc(Cl)c(F)cc3O)cc12	816566162	MPLNDTHGBSZBPZ-UHFFFAOYSA-N	320.755	3.387	10	20	DGCD	
COc1ccc(O)c(CN2Cc3cnn(-c4ccccc4)c3C2)c1	816668365	MMRRUOHBJAVLOG-UHFFFAOYSA-N	321.380	3.102	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CCC[C@H]3CN)cc2)CC1	817901238	AFBFSGZNKUJMTB-HKUYNNGSSA-N	301.478	3.140	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c1	817939035	XZISWMMIWWMLIE-LIRRHRJNSA-N	313.445	3.112	10	20	DGCD	
C[C@@H](NCC[C@@H]1CCNC1)c1cccc(C(F)(F)F)c1O	817954826	KVMUXBJIKFOINV-MNOVXSKESA-N	302.340	3.061	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3C[C@H](C)O[C@H](C)C3)C2)cc1	818222790	VZKRNAGTOLHHCC-TWMKSMIVSA-N	318.461	3.067	10	20	DGCD	
CCCC[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819591495	SNSCOLOOUXAYCL-HZPDHXFCSA-N	318.461	3.464	10	20	DGCD	
Cc1cccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)c1O	822530197	TVOHUINNIBVWOU-GOSISDBHSA-N	301.430	3.482	10	20	DGCD	
C1=C[C@H]2O[C@H]1[C@@H]1CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]12	824839177	VYSJFWFAVAOTLR-UAFMIMERSA-N	310.441	3.062	10	20	DGCD	
COc1cc(CN(C[C@H](C)O)C2CC2)c(O)c(C(C)(C)C)c1	826539536	VHXOEVSQIIKPNM-LBPRGKRZSA-N	307.434	3.044	10	20	DGCD	
O=C(NCCCSc1nccs1)N[C@@H]1CCC[C@@H]2C[C@@H]21	826693154	RPPRXPVOQYAZIM-GRYCIOLGSA-N	311.476	3.113	10	20	DGCD	
CC1(C)CCN(CN2CCCc3cc(OC(F)F)ccc32)C1=O	840034853	FMFWODZDNBMGTQ-UHFFFAOYSA-N	324.371	3.257	10	20	DGCD	
COCCN(Cc1cccs1)C(=O)Nc1ccc(N)cc1	841302367	VACLWBDMMDGUEA-UHFFFAOYSA-N	305.403	3.011	10	20	DGCD	
CO[C@@H](CC(C)C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	841347377	RNIFJVHNQJQGAL-YJBOKZPZSA-N	320.477	3.169	10	20	DGCD	
CC[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccncc1	845007288	GBDYXAPUMZJHFD-AWEZNQCLSA-N	319.792	3.391	10	20	DGCD	
COc1cccc([C@@H](C)NCCCC(=O)OC(C)(C)C)c1O	846148581	RCXPDRGZOAHYQT-GFCCVEGCSA-N	309.406	3.173	10	20	DGCD	
CCCc1ncc(C(=O)NCc2cc(Cl)ccc2O)s1	846478076	YZUXIESSUXAEBI-UHFFFAOYSA-N	310.806	3.385	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](c2cnn(C)c2)C(F)(F)F)cc1C	858164014	NRWQKDFDASMLDA-AWEZNQCLSA-N	313.323	3.136	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](C)CC2(C)OCCO2)c(O)c1C	866424788	HFPZRCWEPDAZMG-IUODEOHRSA-N	307.434	3.449	10	20	DGCD	
Cc1cccc(O)c1CN[C@@H](C)C[C@H](O)c1ccc(F)cc1	877128383	GOHRIUMDNUDBGV-UGSOOPFHSA-N	303.377	3.442	10	20	DGCD	
CCCCc1nnc(NC(=O)N[C@H](C)c2ccccc2O)s1	877978236	BOHIKEVQKPPKRE-SNVBAGLBSA-N	320.418	3.469	10	20	DGCD	
COc1ccc(CN(C)C[C@@H](C)c2nccs2)c(O)c1OC	893536582	WLYMUFSCVANAEA-LLVKDONJSA-N	322.430	3.101	10	20	DGCD	
COc1cc(C)cc(CNC[C@H]2CCCO[C@@H]2C(C)C)c1O	894316751	OLLSJKZNMDWACW-RDTXWAMCSA-N	307.434	3.250	10	20	DGCD	
C[C@@H](NC[C@H]1CCN1C)c1ccc(N2CCCCC2)c(F)c1	903323376	LPVLHZUPVKRZFV-GDBMZVCRSA-N	305.441	3.171	10	20	DGCD	
Cn1cnc(/C=C\C(=O)N2CC3(CCC3)c3c(F)cccc32)c1	931526606	AGOLDEWQKYYOPZ-SREVYHEPSA-N	311.360	3.041	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cc(Cl)n2)c1	934940329	LMXLKZARLBLIEP-SNVBAGLBSA-N	320.776	3.249	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)C2(C)CC2)cc1C	1134435840	QFMRKIBDPLTZPO-LSDHHAIUSA-N	318.461	3.177	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)c2occ(C)c2C)cc1	1261505955	BSYALGDYFGFXDO-UHFFFAOYSA-N	316.401	3.113	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1CC1(Cl)Cl	1326698176	JVLMFWXSMAYZHM-SCSAIBSYSA-N	306.536	3.009	10	20	DGCD	
C[C@@H]1CSc2ccccc2N(C(=O)/C=C/[C@@H]2CCCNC2)C1	1576862083	KFZRTLSSSHTGIQ-JJGIJDNGSA-N	316.470	3.317	10	20	DGCD	
O=C(O)[C@@H](CC1CCCCC1)NCc1cc(F)c(F)cc1O	1601647088	XBPBYZJTMZUXTE-CQSZACIVSA-N	313.344	3.184	10	20	DGCD	
CCN(C)c1ccc(CNC[C@@H](CC(C)C)C(=O)O)c(C)c1	1776856325	KXFLSOTVIAFOMQ-MRXNPFEDSA-N	306.450	3.288	10	20	DGCD	
CN(C)c1ccc(CNC(=O)CSc2ccc(F)cc2)cc1	18214961	OXLBZJUFDNTTMZ-UHFFFAOYSA-N	318.417	3.300	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cccnc1	92739795	OKPWAXJNYVDHMK-OAHLLOKOSA-N	313.470	3.486	10	20	DGCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C1CCCCCC1	101858521	SYNGSYDLJQORLF-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
COc1cccc(CNC(=O)Cc2ccc(F)cc2Cl)c1O	119646874	NPHOSCCRJAAFIM-UHFFFAOYSA-N	323.751	3.052	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCCc2occc21	120858276	JMVGMXAOELICHJ-AWEZNQCLSA-N	300.358	3.204	10	20	DGCD	
CC[C@H]1CO[C@@H](C)CN1Cc1cc(Br)ccc1O	131503345	XANRBDOJSYMPJW-GWCFXTLKSA-N	314.223	3.154	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H](C)N1C	141902782	PNQIGIDECXNPLX-AOOOYVTPSA-N	303.233	3.223	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@](C)(O)C2)cc1	152689772	GCGNZVKCTMEHSQ-IBGZPJMESA-N	312.413	3.081	10	20	DGCD	
Cc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	152984960	JJURKKGVRSBDKA-LBPRGKRZSA-N	300.358	3.159	10	20	DGCD	
CCN(CCc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1	180669528	DNEKITPPFJRGHM-PKNBQFBNSA-N	311.381	3.202	10	20	DGCD	
Cc1ccc(-c2n[nH]cc2CN(C)c2ccc3c(c2)OCO3)o1	180760823	MWIBORYFOLGFLT-UHFFFAOYSA-N	311.341	3.343	10	20	DGCD	
Cc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2)c(O)c1O	182848349	GTWHWNPPAVYJFW-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
COc1ccc(O)c(CNC[C@@](C)(O)c2cccc(Cl)c2)c1	184963777	REOURBNRBCTVHV-QGZVFWFLSA-N	321.804	3.052	10	20	DGCD	
C[C@H](NCCCCNc1ccccn1)c1cc(F)ccc1O	185325973	SPNUXJLRXUXGCH-ZDUSSCGKSA-N	303.381	3.469	10	20	DGCD	
C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Br)cc1O	185460438	IOFRPKJOJZYGDP-PFEFGLNJSA-N	312.207	3.125	10	20	DGCD	
Cc1ccc(OCCC(=O)NCCc2ccc(N)cc2)cc1C	237704952	ALQRIXGDVALEMP-UHFFFAOYSA-N	312.413	3.013	10	20	DGCD	
CN1CCN(Cc2cc(F)ccc2O)[C@@H](c2ccccc2)C1	245534031	VXNCAXFSCOJEFV-QGZVFWFLSA-N	300.377	3.020	10	20	DGCD	
COc1cc(CN2C[C@@H](C)OC[C@@H]2C)c(O)c(C(C)(C)C)c1	246042692	AMFCHNWXRIXEEB-QWHCGFSZSA-N	307.434	3.308	10	20	DGCD	
COC[C@H]1CN(Cc2cc(C)cc(C(C)(C)C)c2O)C[C@@H](C)O1	249964613	WSQFWLLCDDRWNI-GDBMZVCRSA-N	321.461	3.234	10	20	DGCD	
CC[C@H]1C[C@@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	272912262	LDBWPWMYPRJGEL-WMZOPIPTSA-N	318.461	3.306	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H](CO)c2c(F)cccc2F)c1	273526994	VMCJIAPVSVZCJJ-XHDPSFHLSA-N	307.340	3.363	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1	295714631	KKJXBRUUJZBCBG-RGCMKSIDSA-N	305.418	3.217	10	20	DGCD	
C[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccc(NC(N)=O)cc1	297581025	HCXLWMASWJBAHC-ABAIWWIYSA-N	311.385	3.221	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(N(C)C)cc2)cc1	298377685	BKWBHHVCHWHPEU-UHFFFAOYSA-N	312.417	3.140	10	20	DGCD	
Cc1c(CN=c2cc[nH]c3cccnc23)n(C)c2ccccc12	338710593	WYAJUVKCNFCHBG-UHFFFAOYSA-N	302.381	3.464	10	20	DGCD	
CC[C@@H](C)[C@@H](CNCc1cc(Cl)cc(OC)c1O)OC	381338136	AXGTXBWHFDFFIO-QMTHXVAHSA-N	301.814	3.205	10	20	DGCD	
COc1ccc([C@@H](NCc2ccc3c(c2)CCO3)C2CC2)cn1	527840529	GYKSAJIYYWVEJJ-IBGZPJMESA-N	310.397	3.266	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C)CCCCC1	530562999	JVALLGHTJYFHTC-UHFFFAOYSA-N	302.418	3.448	10	20	DGCD	
CC(C)c1ccccc1NC(=O)COC(=O)c1cc(O)cs1	732353852	BMUKTZWTWAFIMM-UHFFFAOYSA-N	319.382	3.373	10	20	DGCD	
Cc1cc(C)c(CCNC(=O)NCc2ccccc2O)c(C)c1	748461278	URWYSVLOJCKKIR-UHFFFAOYSA-N	312.413	3.359	10	20	DGCD	
C[C@@H](COc1ccccc1)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756495501	RVZHMIMCEQUEIV-QWHCGFSZSA-N	316.357	3.419	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H]1CCCCN1C1CC1	766224107	LMVSCQUCUAPTCF-LBPRGKRZSA-N	312.816	3.291	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]2c2cc(C)on2)c(O)c1	768427509	BYAOVFNFFYNPNU-INIZCTEOSA-N	302.374	3.424	10	20	DGCD	
CCCN(Cc1cc(OC)c(OC)cc1O)CC(F)(F)F	768439945	QGVBYWVTIFQCFJ-UHFFFAOYSA-N	307.312	3.184	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H]([C@H]3CCOC3)C1)CCCC2	768461854	GCKITAOIQLDQDM-SJORKVTESA-N	301.430	3.129	10	20	DGCD	
C[C@@H](NC1CC(C(F)F)C1)c1ccc(N2CCOCC2)cc1	768687201	LZKCAKLSJCPYBC-LRVUVFPRSA-N	310.388	3.218	10	20	DGCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CC=CCC1	769381120	LDEUYNWKPVERER-CYBMUJFWSA-N	323.820	3.377	10	20	DGCD	
C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1O	775129959	JBAIGKQMKFLOMP-GFCCVEGCSA-N	302.330	3.030	10	20	DGCD	
CCSc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1	778930010	PDQMYVZWTUVJGV-UHFFFAOYSA-N	317.410	3.069	10	20	DGCD	
COc1ccc(O)c(CN2CCN(C3CC3)c3ccccc32)c1	779226226	PRGYZGFLWLMVLB-UHFFFAOYSA-N	310.397	3.390	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(C)CCN(C)CC2)cc1F	779986530	PQCLVPWCRULCMY-UHFFFAOYSA-N	321.484	3.493	10	20	DGCD	
CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2O)CC1	783717630	COXIZYWGNRFMJZ-UHFFFAOYSA-N	320.433	3.271	10	20	DGCD	
COc1ccc2c(c1)CC[C@@H](NCc1c(O)cccc1OC)C2	784623552	NXWWWDYINRFAMD-OAHLLOKOSA-N	313.397	3.057	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2nccn2C)cc1	788112416	YNHSLNNXPBUEJQ-UHFFFAOYSA-N	308.385	3.104	10	20	DGCD	
C[C@@H](COCC(F)(F)F)NCc1c(O)ccc(Cl)c1F	790961913	DOYZIWVZIYJUNH-ZETCQYMHSA-N	315.694	3.242	10	20	DGCD	
CC[C@@H](CCO)NCc1ccc(N(C)C)cc1C(F)(F)F	792993617	YJULYFXJWOYDFL-LBPRGKRZSA-N	304.356	3.022	10	20	DGCD	
C[C@H](NC(=O)c1ncccc1Cl)c1ccc(N(C)C)cc1	794431493	BQNTWRBYARAYMZ-NSHDSACASA-N	303.793	3.292	10	20	DGCD	
CC[C@@H](NC[C@H](O)COc1ccccc1)c1ccc(C)cc1O	794794875	RQOAHUCEXTUOOO-MAUKXSAKSA-N	315.413	3.181	10	20	DGCD	
CC[C@@H](NCCc1nnc2ccccn12)c1ccc(C)cc1O	794796032	RHAHTJVVFPOKFH-OAHLLOKOSA-N	310.401	3.027	10	20	DGCD	
CC[C@H](NC[C@H]1CSCCS1)c1ccc(F)cc1O	796792327	GSNGEZHYDYMVES-AAEUAGOBSA-N	301.452	3.421	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCO[C@@H](C(F)(F)F)C1	806141203	QHADYTIHOYDHAE-DZGCQCFKSA-N	316.367	3.261	10	20	DGCD	
CCOc1ccc(CN[C@H]2COc3c(C)cccc3C2)c(O)c1	810178008	HQDIIMRRSIXDPF-MRXNPFEDSA-N	313.397	3.193	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCC[C@]1(O)C[C@H]2CC[C@H]1C2	813784301	YHTNOXRESCAVSJ-MMPTUQATSA-N	313.800	3.216	10	20	DGCD	
CCc1cc(NCc2cc(C)cc(Br)c2O)nn1C	817708637	FJMRRWIDAUFVEA-UHFFFAOYSA-N	324.222	3.371	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CCNCC[C@H]3C)cc2)CC1	817902385	PAXUKAJZPJKRNC-YLJYHZDGSA-N	315.505	3.401	10	20	DGCD	
CN(CCC1CC1)C(=O)c1csc(Cc2ccc(N)cc2)n1	817998150	FGXQRMCQXZOJGR-UHFFFAOYSA-N	315.442	3.188	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2C[C@H]2C2CCC2)c(C)n1-c1ccccn1	819629239	LXRGWOWZIJZDQC-DLBZAZTESA-N	309.413	3.408	10	20	DGCD	
Oc1cccc(Cl)c1CN[C@H]1CCO[C@@H](c2ccncc2)C1	824954487	QQKMFNWHKSQJDR-SUMWQHHRSA-N	318.804	3.451	10	20	DGCD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(Cc1cc(Cl)c(C)cc1O)C[C@@H]3C2	825884776	ACRVPAVFBXWUFS-SKRAFVOUSA-N	307.821	3.209	10	20	DGCD	
C[C@@H](NC(=O)CCCc1cccnc1)c1ccc(N(C)C)cc1	832436861	RWVCTSJJGUJWTM-OAHLLOKOSA-N	311.429	3.348	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C	839621344	IWLDWEHLIMJKGV-JYJNAYRXSA-N	318.461	3.392	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(C(C)C)C1	840482029	RKHFTUXSUIWKSM-HNNXBMFYSA-N	317.477	3.289	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCC[C@](C)(O)c1ccccc1	840939277	MKSVLJFKZLXGNW-FQEVSTJZSA-N	312.457	3.448	10	20	DGCD	
CCOc1cccc(CNCc2ccc3c(c2)CCCN3)c1O	841070593	RIIKZPHPIDPRBN-UHFFFAOYSA-N	312.413	3.439	10	20	DGCD	
CCS[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1	841855466	PBTJABCBSPOXRM-CVEARBPZSA-N	321.490	3.175	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N)cc1	843484975	FWPXMZGJAAZNLH-UHFFFAOYSA-N	311.429	3.386	10	20	DGCD	
CCCC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	844601691	HMXJRHMXOAUQDP-OAHLLOKOSA-N	318.461	3.464	10	20	DGCD	
CCCC(C)(C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	845117915	ZUQIATBPCHVQCF-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CCCc1nc(CN(C)c2ccc(OCC(=O)O)cc2)cs1	846280451	WRPMYGGVHXTDKC-UHFFFAOYSA-N	320.414	3.195	10	20	DGCD	
COC(=O)C1=C(C)O[C@@H](CSc2ncc(Cl)s2)C1	850000119	JUEZLYPCBFBEJX-SSDOTTSWSA-N	305.808	3.125	10	20	DGCD	
COC1([C@@H](C)NCc2ccc(N3CCSCC3)cc2)CCC1	850425066	PXFDVLYUKHPRNI-OAHLLOKOSA-N	320.502	3.287	10	20	DGCD	
CCOC(=O)CN(CC=C(Cl)Cl)Cc1ccccc1O	852192528	SDLBTZYIDSNTRF-UHFFFAOYSA-N	318.200	3.076	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H](CN)CC(C)C	852800139	LAECTAOBZBEKIF-HNNXBMFYSA-N	306.450	3.142	10	20	DGCD	
CC[C@H](NCCN(C)CC(F)F)c1cc(Cl)ccc1O	858597659	TUPSVLGXXFEUAB-LBPRGKRZSA-N	306.784	3.283	10	20	DGCD	
CCC[C@@H](OCC)C(=O)NCc1c(O)ccc2c1CCCC2	860243294	JMYTVIFNFQKGCM-QGZVFWFLSA-N	305.418	3.092	10	20	DGCD	
CC[C@@H](NCc1cccc(OC)c1O)[C@H](O)c1ccccc1	873192397	ATCQPWVAUFYZSH-NVXWUHKLSA-N	301.386	3.003	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCc3cccnc3CC2)c1	877533485	PAFJSEXEQPFUCI-ZFWWWQNUSA-N	312.413	3.394	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](Cn2ccnc2)c2ccccc2)cc1	880568857	FJEWIJNGPSBWIB-FQEVSTJZSA-N	320.440	3.480	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2N[C@@H](C)c1c(O)cccc1F	886528151	HVPIGANRSQYFAW-IINYFYTJSA-N	301.365	3.358	10	20	DGCD	
COc1ccc(CN2CC3(CCC3)[C@H]2C(C)C)c(O)c1OC	894583773	AWBTYZJXVMIREQ-QGZVFWFLSA-N	305.418	3.420	10	20	DGCD	
CN1CCCc2cc(CNCc3cnn(CC4CCC4)c3)ccc21	921625958	TVDJXOHGHNSJJQ-UHFFFAOYSA-N	324.472	3.355	10	20	DGCD	
Oc1cccc(Cl)c1CNCCc1nc2c(s1)CCC2	922714027	CMZVIHDXUVZRGL-UHFFFAOYSA-N	308.834	3.323	10	20	DGCD	
COc1ccc(CNCCNC(=O)CCCC(C)(C)C)cc1C	1124782282	IGSRQCZSMAEMIP-UHFFFAOYSA-N	320.477	3.426	10	20	DGCD	
Cc1cc(CN2CC[C@](O)(C3CC3)C2)ccc1N1CCCCC1	1330597945	HAKPUWGMPIUKIR-HXUWFJFHSA-N	314.473	3.332	10	20	DGCD	
CC[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(N)cc1	1335588253	GJZMESFNKBWRHL-SFHVURJKSA-N	311.429	3.479	10	20	DGCD	
CC(C)Cn1cc(NCc2cc(F)c(N(C)C)cc2F)cn1	1351331120	OGHHMPKRQQOXIZ-UHFFFAOYSA-N	308.376	3.495	10	20	DGCD	
C[C@H](NCCN1[C@@H](C)CCC[C@H]1C)c1cc(C(=O)O)ccc1O	1593266448	DPLGSKOCQOGONO-MJBXVCDLSA-N	320.433	3.004	10	20	DGCD	
Cc1cc(NCc2c(O)cccc2F)c(C(=O)O)cc1[N+](=O)[O-]	1607696283	YTZQFQNYHSELLV-UHFFFAOYSA-N	320.276	3.058	10	20	DGCD	
C[C@@H]1[C@H](CC(=O)O)CC[C@@H]1NCc1ccc2c(c1)CCCN2C	1609840456	KNIBMKVNZBNJMW-KMFMINBZSA-N	316.445	3.048	10	20	DGCD	
CC(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1	23745033	XVISNMOQCUHYHZ-UHFFFAOYSA-N	316.426	3.289	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OC)cc1	52851223	NHJPYDHAEACMDB-UHFFFAOYSA-N	312.413	3.424	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CCCO2)cc1F	66841570	RSGXQZPSKVQPQG-HNNXBMFYSA-N	322.424	3.247	10	20	DGCD	
Cc1cccc(CN2CCN(c3nc(C)c(C)s3)CC2)c1O	180482125	GSFNEZFXDMNSTO-UHFFFAOYSA-N	317.458	3.096	10	20	DGCD	
Cc1cc(C(=O)Nn2cnnc2)c(C)n1-c1ccc(C(C)C)cc1	181436031	KKFUGXNPBBIIJU-UHFFFAOYSA-N	323.400	3.193	10	20	DGCD	
Cc1oc2ccccc2c1CNCc1cc2c(cc1O)OCO2	183913324	HZEFDCFIFQHONV-UHFFFAOYSA-N	311.337	3.465	10	20	DGCD	
COc1ccc(OCCN[C@@H](C)c2ccc(C)cc2O)cc1	184903664	UMQNZJBHYDFFTJ-AWEZNQCLSA-N	301.386	3.439	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCSC[C@H]1c1ccccc1	185665292	STRYTUHOVFWNLO-AWEZNQCLSA-N	315.394	3.028	10	20	DGCD	
CCN(CC)c1ccc(/C=C\c2nc(O)c3cnn(C)c3n2)cc1	255132347	GHKIIDIBRKFEOT-FLIBITNWSA-N	323.400	3.086	10	20	DGCD	
COc1ccccc1C[C@H](C)NCc1cccc(OC)c1O	263655683	FTEPTDCBPNOJGD-ZDUSSCGKSA-N	301.386	3.130	10	20	DGCD	
COc1ccc(C)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O	278935246	WXAORACTUSECBP-UHFFFAOYSA-N	318.329	3.238	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H]1CCOC1	280130544	DJCLYZXQZCRORX-LBPRGKRZSA-N	316.367	3.240	10	20	DGCD	
C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)C)cc2Cl)C1	282806615	KNORLNFUHIAQRV-GFCCVEGCSA-N	309.841	3.348	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@H]2CCO[C@@H]2c2cccnc2)c1O	284720718	UWBNJIBPGNEIKD-DOTOQJQBSA-N	318.804	3.369	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1	285533675	LBQIBDPARJMBSY-OAHLLOKOSA-N	316.367	3.032	10	20	DGCD	
COc1cccc(CNC(=O)c2cc(C(C)C)oc2C)c1O	286758625	MNBMYEOYLAKVKA-UHFFFAOYSA-N	303.358	3.356	10	20	DGCD	
CN1CCCc2cc(CN[C@H]3CCOC4(CCC4)C3)ccc21	296403798	LPYPTJSGLTYQHI-KRWDZBQOSA-N	300.446	3.260	10	20	DGCD	
CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(N)cc1	296869939	DVAYKTNYRTXDOJ-CQSZACIVSA-N	312.413	3.478	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cc2cc(N)ccc2s1	316217656	ZSOFROGIGROCIG-UHFFFAOYSA-N	312.394	3.461	10	20	DGCD	
Cc1c(CNC(=O)c2c[nH]nc2C(C)C)n(C)c2ccccc12	352944571	KZUPADODYTXKEO-UHFFFAOYSA-N	310.401	3.263	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CC2(CCC2)[C@H]1C1CC1	367973532	PBZPJZLXYXOUDB-LJQANCHMSA-N	312.457	3.288	10	20	DGCD	
COc1ccc(N2CCC(NCCSC(C)C)CC2)cc1	368577909	YRNKRYHDGUZWAY-UHFFFAOYSA-N	308.491	3.395	10	20	DGCD	
COC1(CNCc2cccc(Br)c2O)CCCC1	386861044	UQQXPNVHNSUUQU-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
CCOC[C@@H](NCc1ccc(Br)cc1O)C(C)C	691488743	NXPZLYXPODPDHY-CYBMUJFWSA-N	316.239	3.305	10	20	DGCD	
COc1cccc(CNc2nnc(C)cc2C(F)(F)F)c1O	727432467	NBBGPJWFPQPLQS-UHFFFAOYSA-N	313.279	3.130	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1nnc(C(C)(C)C)o1	731664494	IQIFJDFYSOKQFL-UHFFFAOYSA-N	301.390	3.329	10	20	DGCD	
CC[C@H](OC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1	733090564	MHFYDMDTHHVSMY-KRWDZBQOSA-N	304.434	3.107	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](CC(=O)N(C)C)c2ccccc2)c1	733325755	WKEYJADDHMOFEU-QGZVFWFLSA-N	312.413	3.010	10	20	DGCD	
O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc(O)cs1	746075092	BKGRUAOLZLMADE-UHFFFAOYSA-N	313.718	3.372	10	20	DGCD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCc2ccccc2O)o1	748458796	CLBLTRFJORUFKX-BXUZGUMPSA-N	300.358	3.108	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cn2ccc(C)cc2n1	750861311	CRQVAPJVKFWREF-UHFFFAOYSA-N	323.396	3.401	10	20	DGCD	
Cc1nccn1C[C@@H](C)CN[C@@H](C)c1cc(F)cc(F)c1O	756534212	LFNQTEYWQHQTOV-QWRGUYRKSA-N	309.360	3.162	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c(F)c1	756756286	HCVZXUODFLPNDI-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCN3CCCC[C@@H]23)cc1	764966001	WXRFIIRMTLKWMR-IPELMVKDSA-N	301.478	3.420	10	20	DGCD	
CN(C)c1ccc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1	768979612	DHXKRYSQZWQYDX-OALUTQOASA-N	321.468	3.321	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@@H]2CCC[C@H]2O)cc1F	770292661	NWZRPDGJWHXJIU-MAUKXSAKSA-N	308.441	3.265	10	20	DGCD	
C[C@H](NC(=O)c1ccc(Cl)cn1)c1ccc(N(C)C)cc1	773013337	DHWZKPPDSPEIHQ-NSHDSACASA-N	303.793	3.292	10	20	DGCD	
Cc1cccc2nc(CN3CCOc4cc(N(C)C)ccc43)cn12	774752833	MTYSBKOINQHAMV-UHFFFAOYSA-N	322.412	3.108	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@H]2C[C@H]3CC[C@H]2C3)c1O	774983026	NJEILHIPKUKCJP-AVGNSLFASA-N	320.389	3.225	10	20	DGCD	
COC(=O)c1ccc([C@@H](C)N[C@@H](C)c2cc(OC)ccc2O)o1	775369845	SQNUJLQVHCYTAR-WDEREUQCSA-N	319.357	3.192	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@H]3C3CCC3)cc2)CC1	775669574	LVFUASFCLXQFNG-FQEVSTJZSA-N	313.489	3.203	10	20	DGCD	
COc1cc(O)c(CN[C@@H]2CSc3ccccc32)cc1OC	776207263	FYVFPFAOUSUEDT-CYBMUJFWSA-N	317.410	3.346	10	20	DGCD	
C[C@@H](NCc1cocn1)c1ccc(N2CCOCC2)cc1Cl	777035038	CUBSGHQBUNJFPA-GFCCVEGCSA-N	321.808	3.015	10	20	DGCD	
CCOC(CCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21)OCC	786971690	XRUYYUXVAWTDDA-DGCLKSJQSA-N	311.397	3.458	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C(=O)OC)[C@H]2C)cc1F	787420454	HGQURIYVOLZGKA-UKRRQHHQSA-N	322.424	3.055	10	20	DGCD	
Cc1cc(O)c(CNc2ccc3ccn(C)c(=O)c3c2)cc1C	790638212	UQLCYEFQKYMCMI-UHFFFAOYSA-N	308.381	3.473	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(O)c1	793151282	UKFLCEWPKKVXKA-MBNYWOFBSA-N	306.406	3.025	10	20	DGCD	
C[C@H](O)C[C@@H](C)NCc1ccc2c(c1)CCN2Cc1ccccc1	796343082	PONFNXVEQKXDCD-SJORKVTESA-N	324.468	3.498	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)C12CCC2	799733219	CHVRINIGLCUYKA-SJORKVTESA-N	306.425	3.329	10	20	DGCD	
COc1ccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)cc1C	810165607	XCQBHISVEHDIET-ICSRJNTNSA-N	311.425	3.259	10	20	DGCD	
Oc1ccccc1[C@H](CCc1ccccc1)NCCN1CCC1	815598261	QGDJVXBYZSFRKU-IBGZPJMESA-N	310.441	3.361	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)[C@@H](O)Cc2ccccc2)cc1Cl	825370123	JLOMUDNOIBMGHH-DYVFJYSZSA-N	319.832	3.436	10	20	DGCD	
O=C(Nc1cc(C2CCCCC2)[nH]n1)c1c(F)ccc(O)c1O	825915251	NDVKVTHBIXFUSX-UHFFFAOYSA-N	319.336	3.260	10	20	DGCD	
Oc1cc(Br)ccc1CNCCCc1ccco1	827675173	ZXFPVKJKTIAMQW-UHFFFAOYSA-N	310.191	3.470	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C	831527002	BBBYJJATGTWFIX-ZUZCIYMTSA-N	311.809	3.105	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCC1	837348238	CYCFHJFOYLEYGE-AWEZNQCLSA-N	318.486	3.292	10	20	DGCD	
CC[C@@H](NC(=O)NCc1cc(OC)ccc1O)C1CCCC1	838474762	QIUFBMYVHHIGJC-OAHLLOKOSA-N	306.406	3.169	10	20	DGCD	
CCOCc1cc(CNC2(C(=O)O)CCCCC2)ccc1OC	841800628	IQZUWNLXDFOYOX-UHFFFAOYSA-N	321.417	3.109	10	20	DGCD	
CC(C)Cn1nccc1CN[C@H](C)c1ccc(N(C)C)cc1	842700030	UIJAYXIVLTWILL-OAHLLOKOSA-N	300.450	3.456	10	20	DGCD	
CCSCC[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O	845019056	HYNKLHZBRUDMIP-SNVBAGLBSA-N	316.854	3.377	10	20	DGCD	
CCC1(CC)CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	853563868	ZSONQKDFJVHMSG-INIZCTEOSA-N	305.418	3.220	10	20	DGCD	
Nc1ccc(CNC(=O)[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@H]32)cc1	859593938	LLRZNQKFFAXACH-GVDBMIGSSA-N	312.800	3.124	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@@H](C)c2c(C)noc2C)c1	862758010	LPAPRQVZSCPKTE-LLVKDONJSA-N	302.374	3.115	10	20	DGCD	
CO[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)C1CCCCC1	868788804	XVGSFCFWTKRBCW-DYVFJYSZSA-N	320.433	3.348	10	20	DGCD	
COc1ccc(N(C)Cc2cnn(CC3CCC3)c2)cc1OC	893574328	WFYPKAPJHKBQJC-UHFFFAOYSA-N	315.417	3.337	10	20	DGCD	
CC[C@H](N[C@H]1CCCN(CC)C1=O)c1cc(Cl)ccc1O	903389741	WMAUISKEPUMMON-KBPBESRZSA-N	310.825	3.097	10	20	DGCD	
Cc1ccc(C2=NO[C@H](CNCc3cccc(C)c3O)C2)cc1	1119516275	SWHUWDZHMNNXEI-KRWDZBQOSA-N	310.397	3.292	10	20	DGCD	
CC[C@H](CC(C)C)C(=O)NCCNCc1ccc(OC)c(C)c1	1147037824	GDZRKJCXQMCDBG-QGZVFWFLSA-N	320.477	3.282	10	20	DGCD	
Nc1ccc(CNC(=O)NC[C@H](c2ccccc2)C2CC2)cc1	1262582985	LAKHWYCLPGQWLR-GOSISDBHSA-N	309.413	3.262	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2CC=CC2)c1	1335168009	DPEYXCAWBXBRPR-UHFFFAOYSA-N	308.381	3.355	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCCc2cccc(O)c2)c1	1347851472	FLTYQUFNOCTQAH-UHFFFAOYSA-N	313.397	3.435	10	20	DGCD	
CCc1cccc(CN[C@@H]2C[C@H](C(=O)O)c3ccccc32)c1O	1593642725	UXTBVUBIKVVAPQ-DLBZAZTESA-N	311.381	3.357	10	20	DGCD	
CCNC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	6311814	SZKRSRAAKVTNAP-UHFFFAOYSA-N	301.390	3.077	10	20	DGCD	
Cc1cc(NCCCSc2nccs2)ncc1[N+](=O)[O-]	74751280	KTTVOKVQFWXBMP-UHFFFAOYSA-N	310.404	3.349	10	20	DGCD	
COc1ccc(N2CCN(Cc3nc(C)c(C)s3)CC2)cc1	88575087	MSTZPAJGDPUUGS-UHFFFAOYSA-N	317.458	3.091	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CC[C@@]2(CCOC2)C1	93820009	SYSOWDZEWNFOIG-LJQANCHMSA-N	300.446	3.289	10	20	DGCD	
COc1cccc(CNC(=O)c2cccc(-n3cccc3)c2)c1O	105652859	WGRHCENUDQJOKQ-UHFFFAOYSA-N	322.364	3.122	10	20	DGCD	
CCCN(Cc1cccc(C(=O)NC)c1)Cc1ccccc1O	113931505	RDBIFKWPIXBNND-UHFFFAOYSA-N	312.413	3.164	10	20	DGCD	
C[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(N(C)C)cc1	130885019	VGRSQVZFTLJCOK-CYBMUJFWSA-N	312.417	3.094	10	20	DGCD	
CC[C@H](NC1CCN(C(=O)OC)CC1)c1ccc(N(C)C)cc1	153007690	QQLPWNUIOKSQIL-KRWDZBQOSA-N	319.449	3.024	10	20	DGCD	
CCN(CC)c1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1	171810013	IPWLHMHXVVIPEV-UHFFFAOYSA-N	322.412	3.381	10	20	DGCD	
C[C@H]1c2ccccc2CCN1C(=O)/C=C/c1ccc(O)c(O)c1	181051207	RMEUDRBCPKCYCK-XOVSCCBYSA-N	309.365	3.257	10	20	DGCD	
C[C@H](NCc1ccnc(N2CCCC2)c1)c1ccc(F)cc1O	184973210	OQLXNUQSWQXFPP-ZDUSSCGKSA-N	315.392	3.377	10	20	DGCD	
C[C@H](NCCN(C)C(=O)OC(C)(C)C)c1cc(F)ccc1O	185314062	IRQFFVCMMNINEF-NSHDSACASA-N	312.385	3.049	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CCO)C2CCCCC2)c1	185828996	FPMUVUNVJDYFCD-DYVFJYSZSA-N	307.434	3.383	10	20	DGCD	
Cc1cc(NCc2ccc(N(C)C)cc2)ccc1C(=O)N(C)C	194913090	HIMIRTPUAXVAGT-UHFFFAOYSA-N	311.429	3.375	10	20	DGCD	
COc1cccc(C)c1NC(=O)N(C)Cc1ccccc1O	195029005	IWDXRLYERFILPH-UHFFFAOYSA-N	300.358	3.373	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)c1ccc(C)cc1	264073122	LETOZVDPJDDTKG-UHFFFAOYSA-N	311.381	3.322	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)nc1)c1cc(Cl)ccc1O	273412741	PZPHQJVNIZYXNM-NSHDSACASA-N	305.809	3.357	10	20	DGCD	
C[C@@H](CCN(C)C)N[C@@H](C)c1ccc(Br)cc1O	273560501	IARBIMPISYMTLC-QWRGUYRKSA-N	315.255	3.146	10	20	DGCD	
C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1O	276636159	WZQMPKNMNKRXNC-AAEUAGOBSA-N	315.344	3.255	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cn1cc(Cl)cn1	287970755	VRJUQYMTGTVJHV-UHFFFAOYSA-N	321.808	3.071	10	20	DGCD	
Oc1ccccc1CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21	289243205	DTZSPRUOOBQYOT-GUDVDZBRSA-N	309.409	3.397	10	20	DGCD	
COCC(=O)Nc1ccc(NCc2c(O)cccc2Cl)cc1	378907007	ZNIUOGMSBVKILH-UHFFFAOYSA-N	320.776	3.243	10	20	DGCD	
C[C@@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccc(O)c(O)c1	588406595	JSXWVHGZDIMWFP-FNOHHLHBSA-N	309.365	3.084	10	20	DGCD	
CC(C)N(CCC(=O)O)Cc1cc(C(C)(C)C)cc(O)c1O	736467655	ARJJSTFJUOIEJP-UHFFFAOYSA-N	309.406	3.080	10	20	DGCD	
CCCCn1nnnc1CN(CC(C)C)c1ccc(OC)cc1	746170734	AVMXGMIRZHCKAG-UHFFFAOYSA-N	317.437	3.144	10	20	DGCD	
c1cc2[nH]ccc(=NCCCSc3nccs3)c2cn1	746461131	SEAXBONXXZKZDV-UHFFFAOYSA-N	302.428	3.103	10	20	DGCD	
C[C@H](NCCc1ccc(CO)cc1)c1cc(F)cc(F)c1O	756787990	AMASOHCNCNUUQJ-NSHDSACASA-N	307.340	3.056	10	20	DGCD	
CS/C=C\C(=O)Nc1c(-c2ccccn2)nc2ccccn12	764270973	CNULKUMKYIQNPX-FLIBITNWSA-N	310.382	3.212	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccc(F)cn1	764379999	XYZZKWANFDQLBU-UHFFFAOYSA-N	317.364	3.048	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C[C@@H](c1ccccc1)N(C)C	764612741	YEFALDJDEVDCHK-KRWDZBQOSA-N	312.413	3.044	10	20	DGCD	
CN(CCn1cccn1)Cc1cc(-c2ccccc2)ccc1O	769404897	USMPEQOCTCWCQX-UHFFFAOYSA-N	307.397	3.388	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1cn(C)nn1)Cc1ccccc1O	776008386	GWLYKTQURXLLTE-HNNXBMFYSA-N	322.412	3.284	10	20	DGCD	
CC(C)[C@H]1C[C@H](NCc2cc(Cl)cc(F)c2O)CCO1	776254686	KIPMYBUXMAKXIP-TZMCWYRMSA-N	301.789	3.478	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2CCC(OC)CC2)cc1	780393893	LGJZTSDEHYGZIL-UHFFFAOYSA-N	318.461	3.354	10	20	DGCD	
COc1nc(Br)ccc1NCc1cccc(C)c1O	789597109	YLJIWSLVQFJXJD-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
COCC1(C)CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1	790420369	IXKSHUVSLIYVLG-UHFFFAOYSA-N	312.413	3.203	10	20	DGCD	
COc1cc(NC(=O)c2cccc(O)c2O)ccc1OC(C)C	790939525	RSRRQEDZEYZWPA-UHFFFAOYSA-N	317.341	3.146	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccn(C(C)C)n2)c1	797681736	VSIWCNZIOLCWRD-LLVKDONJSA-N	318.377	3.061	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C)CO[C@H]2CCOC2)c1O	808702515	YAOCAYZNDPDZHY-OBJOEFQTSA-N	313.825	3.199	10	20	DGCD	
COc1ccc(N(Cc2ccco2)Cc2cnns2)cc1F	809575436	CWWQTUPGSFQXNJ-UHFFFAOYSA-N	319.361	3.486	10	20	DGCD	
OC[C@H](CNCc1cc(F)ccc1O)c1ccc(Cl)cc1	809779513	PQOUNQZORCDWTI-ZDUSSCGKSA-N	309.768	3.050	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCCOC[C@H]2CCOC2)c(O)c1	815582255	BDLRYPPQFJWQND-HZPDHXFCSA-N	307.434	3.103	10	20	DGCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2CC[C@H]1CCOC1=O	817299132	VNKPZOOUJICHIT-HOCLYGCPSA-N	317.429	3.283	10	20	DGCD	
C[C@@H](Cc1ccccc1Cl)C(=O)NCCc1ccc(N)cc1	818544764	MUWJUDKRUKOLIN-ZDUSSCGKSA-N	316.832	3.460	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)C(=O)N2CCCC[C@H]2C)cc1Cl	825191106	WAUDPNASUVRECJ-CHWSQXEVSA-N	324.852	3.233	10	20	DGCD	
CC[C@]1(O)CCN(Cc2ccc(N3CCCCC3)c(C)c2)C1	828990327	CDVDRHBRZJAYPR-IBGZPJMESA-N	302.462	3.332	10	20	DGCD	
CSc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)o1	831925573	ZADOOXDABUFBAO-SECBINFHSA-N	321.398	3.082	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H](C)Cc2cnn(C)c2)c1O	834896760	NOCJJTXWPZIOJB-NEPJUHHUSA-N	307.825	3.369	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC23CCOCC3)cc1	836868394	FZLPGVPMKKTQLG-GOSISDBHSA-N	324.424	3.393	10	20	DGCD	
COc1cc(Cl)cc(CNCC[C@@H]2C[C@H]3CC[C@H]2O3)c1O	839164608	XTNFFWFCDIXETE-LERXQTSPSA-N	311.809	3.101	10	20	DGCD	
CC[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)CC(F)(F)F	840514869	LXMAOXWXEYMOTI-AYYIZTPMSA-N	317.307	3.206	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc(Cl)cc2)cc1	841041441	CGDVKHRNEWEMKN-KRWDZBQOSA-N	303.837	3.196	10	20	DGCD	
CC[C@@H](CCNCc1ccc(N2CCCCC2)cc1)C(=O)O	841821235	ZBBFUDRYFREYJV-INIZCTEOSA-N	304.434	3.267	10	20	DGCD	
Oc1ccccc1CN(CCOCC1CCC1)C[C@H]1CCCO1	842152883	JYNVNFRYZYHPOH-GOSISDBHSA-N	319.445	3.190	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cc(Cl)ccc1O	846476336	NQZPGTBSSPIVNT-ABAIWWIYSA-N	311.809	3.257	10	20	DGCD	
COC[C@@H](NCc1cc(C)c(C)cc1O)c1cccc(OC)c1	850361836	FTKCGGKRVGRWFO-GOSISDBHSA-N	315.413	3.495	10	20	DGCD	
Cc1cc(CN2CCC3(CCCC3=O)CC2)ccc1N(C)C	852630434	CZKIVHLBBXXXKN-UHFFFAOYSA-N	300.446	3.396	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1CO	857061026	IDFUGAVWSRJIDI-FUHWJXTLSA-N	302.462	3.127	10	20	DGCD	
COC1([C@@H](C)NCc2c(O)cccc2Br)CCC1	858179117	YVOYUUDBXUDTIH-SNVBAGLBSA-N	314.223	3.202	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H](C)[C@@H](O)C(F)(F)F)cc1	866465208	PQIQMOAMOVPCGM-COPLHBTASA-N	304.356	3.105	10	20	DGCD	
CC(C)[C@@H]1C[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1	877568866	CEHALDNOSZJRRI-LPHOPBHVSA-N	302.462	3.029	10	20	DGCD	
Cc1ccc2c(c1)N[C@H](c1cc(Cl)c(F)cc1O)NC2=O	877864657	PYJVTFHJRAPPSL-AWEZNQCLSA-N	306.724	3.347	10	20	DGCD	
C[C@@H](NC[C@@H](CCO)c1ccccc1)c1c(O)cccc1F	886530520	LWLCOXQIUXBYTG-UKRRQHHQSA-N	303.377	3.348	10	20	DGCD	
O=C1/C(=C\c2cnn(C3CCC3)c2)c2cccc3c2N1CCC3	899384397	KOAMDSCPCOJNCS-YVLHZVERSA-N	305.381	3.442	10	20	DGCD	
COc1ccc(C)cc1CNC(=O)N(C)Cc1ccccc1O	916600755	GLEHEQBDDFBGJB-UHFFFAOYSA-N	314.385	3.051	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)C1CC1	920054700	UHJCUKYBBXWBAE-AWEZNQCLSA-N	303.450	3.330	10	20	DGCD	
C[C@H](NCCO[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1	927086364	SOOVEEIXCSASSL-QFBILLFUSA-N	318.461	3.133	10	20	DGCD	
Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(N)cc2)o1	1120263941	WZQIECIQYCEKKP-SFHVURJKSA-N	320.396	3.260	10	20	DGCD	
COC1([C@H](C)N[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)CCOCC1	1325792900	HWWVGWDDEHAWFJ-SOUVJXGZSA-N	319.445	3.423	10	20	DGCD	
O=C(NCc1cccc(O)c1O)c1scnc1C1CCCC1	1350300895	ZPTAIWOTARYIGQ-UHFFFAOYSA-N	318.398	3.142	10	20	DGCD	
C[C@@H]1CN(c2nnc(-c3sccc3O)n2CC2CC2)C[C@H]1C	1520580896	MWTAERFUSHVVKA-GHMZBOCLSA-N	318.446	3.214	10	20	DGCD	
CC(C)c1[nH]c(CNCc2ccc(N(C)C)cc2)cc1C(=O)O	1591918498	TUYBPWLENHDCGL-UHFFFAOYSA-N	315.417	3.192	10	20	DGCD	
CCc1cccc(CN(C)Cc2cc(C(=O)O)c(C)o2)c1O	1605830336	HJLVTVFKKPJWMV-UHFFFAOYSA-N	303.358	3.186	10	20	DGCD	
CC(C)OCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	63678323	GEBFSEYHCPDFTL-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
O=C([C@@H]1CC=CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	71798974	NUZAYUFCUMOLRC-WBVHZDCISA-N	315.413	3.256	10	20	DGCD	
O[C@@H](CNCc1ccc(N2CCCCC2)cc1)c1ccco1	78878755	IZTTWCCCOMTIJM-KRWDZBQOSA-N	300.402	3.093	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)Cc2scnc2C)c1O	111671739	GCFXAZMNAZVIFR-UHFFFAOYSA-N	308.378	3.131	10	20	DGCD	
COc1ccc2ccc(O)c(CN(C)CCOCC3CC3)c2c1	120387994	QHOPIMKDOOTYAL-UHFFFAOYSA-N	315.413	3.412	10	20	DGCD	
CCOC(=O)N1CCC(N[C@@H](C)c2ccc(N(C)C)cc2)CC1	123847186	JPTNQXAQUMSWJR-AWEZNQCLSA-N	319.449	3.024	10	20	DGCD	
CCN1CCC(N(C)Cc2ccc(N(CC)CC)cc2)CC1	125283118	ADNQIHBAOSTVTH-UHFFFAOYSA-N	303.494	3.449	10	20	DGCD	
C[C@@H](C(=O)Nc1c(F)cccc1F)N(C)Cc1ccccc1O	171937044	DVOWYCLTICWYSH-NSHDSACASA-N	320.339	3.129	10	20	DGCD	
CCC(CC)C(=O)N1CCC(N[C@H](C)c2ccccc2O)CC1	183432015	LXINAKUJMCFDGN-CQSZACIVSA-N	318.461	3.470	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCNC(=O)CC2CCCCC2)c1	186033012	ZRDVUVDIWNNPQM-OAHLLOKOSA-N	318.461	3.438	10	20	DGCD	
CC[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1O	186134789	OLDZWANXHZWIQG-RHSMWYFYSA-N	310.397	3.238	10	20	DGCD	
COc1ccccc1C(C)(C)NCc1cccc(OC)c1O	237186633	PGCVALPSWABQBH-UHFFFAOYSA-N	301.386	3.434	10	20	DGCD	
COc1ccc(CNC2CCN(C(=O)C(C)(C)C)CC2)cc1C	237320125	CCGNVMMEEDDSBM-UHFFFAOYSA-N	318.461	3.130	10	20	DGCD	
COc1ccc(O)c(CN[C@H]2CCOC3(CCCCC3)C2)c1	271768527	AZOFSYHUIPOGSZ-HNNXBMFYSA-N	305.418	3.372	10	20	DGCD	
CCOC(CCNCc1ccc(N(CC)CC)cc1)OCC	276226127	NVRYXXPMSLKWOT-UHFFFAOYSA-N	308.466	3.412	10	20	DGCD	
COc1ccc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cc1O	289595996	FRFTUHUZLQTAMK-GFCCVEGCSA-N	318.392	3.457	10	20	DGCD	
CCN(CC(=O)Nc1ccccc1)c1ccc(OC)c(OC)c1	299253128	CBFGBPNAHMDZHO-UHFFFAOYSA-N	314.385	3.169	10	20	DGCD	
C[C@H](N[C@@H](Cn1ccnc1)C(C)(C)C)c1cc(F)ccc1O	317536498	KXOWZZOBFOXUKX-LRDDRELGSA-N	305.397	3.493	10	20	DGCD	
C[C@@H]1[C@H](NC(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1	393845037	CLTXCVYNUUYLAO-RDTXWAMCSA-N	324.428	3.053	10	20	DGCD	
CCC[C@@H]1CN(Cc2c(O)cccc2Br)CCO1	709023214	ZLVRQTHLBQXHHJ-LLVKDONJSA-N	314.223	3.156	10	20	DGCD	
CCCCN(CCCC)C(=O)COC(=O)c1cc(O)cs1	732353470	QIMFGADZKFJVLF-UHFFFAOYSA-N	313.419	3.039	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2c[nH]cc2-c2ccccc2)c1	734016179	FDOZVGLRQXZWNX-UHFFFAOYSA-N	322.364	3.326	10	20	DGCD	
CO[C@@H]1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1	752733352	YKBVDVJPGPCSFU-MRXNPFEDSA-N	312.413	3.263	10	20	DGCD	
C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1O	756608155	JELYVQCUAZHLMC-SNVBAGLBSA-N	322.311	3.472	10	20	DGCD	
COCCOC[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1O	756731993	FHTFSFZZPNDKRH-VHSXEESVSA-N	322.232	3.401	10	20	DGCD	
CC[C@H](O)CCCN[C@@H](C)c1ccc(Br)cc1O	756734025	UPPBHURMPKVLJX-JQWIXIFHSA-N	316.239	3.356	10	20	DGCD	
O=C1O[C@H](CN(Cc2ccccc2O)C2CCCC2)CC12CC2	763693143	ZFHPFBZXESXKOA-INIZCTEOSA-N	315.413	3.233	10	20	DGCD	
CCOc1ccc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)c(O)c1	766090534	VIMNBYAPDZRDIG-DLBZAZTESA-N	307.434	3.473	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@H](CN3CCCCC3)C2)cc1	773752822	KJMJYAYQJFNXDD-LJQANCHMSA-N	315.505	3.451	10	20	DGCD	
C[C@@H](NC(=O)c1ccnc(Cl)c1F)c1ccc(N(C)C)cc1	775412528	YLQIXHFHLHLBHJ-SNVBAGLBSA-N	321.783	3.431	10	20	DGCD	
CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2cccc(C)c2O)C1	777221376	GTCYRHHVFNBXOG-GDBMZVCRSA-N	320.433	3.047	10	20	DGCD	
Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)c(O)c1O	780907492	JGKDKCSFPIKCOB-UHFFFAOYSA-N	315.344	3.355	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)[C@@H](OC)c2ccccc2)c1	786861287	UIMNOVUOKUGHEF-FZKQIMNGSA-N	301.386	3.267	10	20	DGCD	
CC[C@@H](N[C@@H](C)COCCOC)c1cccc(Cl)c1O	806147964	PBCKNCDBMREDMW-SMDDNHRTSA-N	301.814	3.138	10	20	DGCD	
CC[C@@H](NCC1(C)COC1)c1ccc(C(F)(F)F)cc1O	810217963	NDOSDLDBVHDLQK-GFCCVEGCSA-N	303.324	3.488	10	20	DGCD	
CC[C@H](CN[C@@H](C)c1cc(Br)c(F)cc1O)OC	810260728	NMKOYKWIVSMHFN-DTWKUNHWSA-N	320.202	3.369	10	20	DGCD	
CC[C@H](C)CONC(=O)NCc1cc(Cl)cc(Cl)c1O	813835712	PMESACPBQDEKAG-QMMMGPOBSA-N	321.204	3.476	10	20	DGCD	
CCOc1ccc(N(C)C[C@@H](O)Cc2ccc(F)cc2)cc1	815052538	RWQRFBCAWGKFOW-KRWDZBQOSA-N	303.377	3.264	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@@H](N3CCCC3)C[C@H]2C)cc1	815117414	MDEIFLGRGXIFKK-APWZRJJASA-N	301.478	3.201	10	20	DGCD	
CCCC[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819591496	SNSCOLOOUXAYCL-JKSUJKDBSA-N	318.461	3.464	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C(C)C)[C@H](C)N)cc1	826019840	LGHMETRFWGFVPY-YJBOKZPZSA-N	319.493	3.111	10	20	DGCD	
Cc1cc(CN2CCC[C@@](C)(O)C2)ccc1N1CCCCC1	828582828	LQNRCFDVHUHDTB-LJQANCHMSA-N	302.462	3.332	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C(=O)O)c2ccccc2F)c1	833734029	ZTVKOONQUVNROE-QFYYESIMSA-N	319.332	3.016	10	20	DGCD	
CC[C@@H](NCc1nn(C)cc1Cl)c1ccc(N(C)C)cc1	834882529	KVSKJBWKTAZMEH-OAHLLOKOSA-N	306.841	3.380	10	20	DGCD	
CCOc1ccc(CN2CC3(CCOCC3)[C@@H]2C(C)C)c(O)c1	840970408	QEFAMXDNXSATGG-SFHVURJKSA-N	319.445	3.428	10	20	DGCD	
Cc1ccccc1CCN(C)C(=O)NCCc1ccc(N)cc1	841956180	XPMJFJYOEYOCPD-UHFFFAOYSA-N	311.429	3.004	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC[C@@H]2c2cccs2)cc1	841963366	ZUJYDHVATWMQRD-OAHLLOKOSA-N	315.442	3.420	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](CC(C)C)OC	842187320	UZOKJIJPGBKEJH-INIZCTEOSA-N	322.449	3.375	10	20	DGCD	
O=C(O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	843306579	UULWTXNUKAKTGF-PWSUYJOCSA-N	318.200	3.432	10	20	DGCD	
C[C@H](NCc1ccc(CN)cc1F)c1cc(F)cc(F)c1O	844925842	VPXQLCADGKEAHC-VIFPVBQESA-N	310.319	3.119	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@H]2COc3cc(F)ccc3C2)c1	850537030	MJEXWIGFJRVUNI-SWLSCSKDSA-N	301.361	3.494	10	20	DGCD	
CO[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1(C)C	862385680	AWHJFVBUVYFRAM-INIZCTEOSA-N	312.404	3.278	10	20	DGCD	
C[C@H](N[C@H](CCO)C(F)(F)F)c1cc2c(cc1O)CCCC2	886801624	PXAIGEHCZBYTBS-ZUZCIYMTSA-N	317.351	3.235	10	20	DGCD	
COCCN(Cc1ccc(OC)c(OC)c1O)[C@H]1CC[C@@H](C)C1	893998785	AEXJROOFRSSOLS-HIFRSBDPSA-N	323.433	3.046	10	20	DGCD	
COc1ccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)c(O)c1OC	895551239	UMEKAPNGBOYXBV-QWRGUYRKSA-N	315.360	3.133	10	20	DGCD	
CCN(C(=O)CN[C@@H](C)c1c(O)cccc1F)c1ccccc1	903194562	FFPNTNIROSKJIS-ZDUSSCGKSA-N	316.376	3.235	10	20	DGCD	
C/C(=C\C1CCC(C)CC1)C(=O)NCc1ccc(O)cc1O	910945745	XFYACLONHQGMNN-UKTHLTGXSA-N	303.402	3.487	10	20	DGCD	
CC(C)c1noc(CCN[C@H](C)c2cc(F)cc(F)c2O)n1	1116589334	UHRWJBJQIDTQDP-SECBINFHSA-N	311.332	3.070	10	20	DGCD	
FC(F)(F)[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1	1204321145	HEQIMCFDEKLTSJ-HNNXBMFYSA-N	314.351	3.050	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2C[C@H]2F)cc1	1337915524	GYLFTOHQYMRTLH-IAGOWNOFSA-N	316.376	3.232	10	20	DGCD	
Cc1cc(O)c(CNCCC(=O)N2CCC[C@H](C)C2)cc1Cl	1347390929	HQDGHETXAXKAQZ-LBPRGKRZSA-N	324.852	3.092	10	20	DGCD	
Cc1cccc(CN(CC(=O)O)Cc2ccc(F)c(F)c2)c1O	1600531252	IXTBOOZKPFQVCM-UHFFFAOYSA-N	321.323	3.066	10	20	DGCD	
CCN(C)c1ccc(CN[C@@]2(C(=O)O)CC[C@@H](C)C2)c(C)c1	1776856772	KSEBPTKWPYJLQX-ACJLOTCBSA-N	304.434	3.184	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1	13189711	OMOZWGGWASKVCC-SOFGYWHQSA-N	324.336	3.255	10	20	DGCD	
CN(CCCOc1ccccc1)Cc1cc2c(cc1O)OCO2	29540285	MVMFQUCZQUFBMR-UHFFFAOYSA-N	315.369	3.022	10	20	DGCD	
CC(=O)OC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1	93453764	MXTYARONXNCZPG-UHFFFAOYSA-N	316.445	3.204	10	20	DGCD	
Cc1c(C(=O)N(C)Cc2ccccc2O)cnn1-c1ccccc1	112114409	XVZVHOGOAXAJCE-UHFFFAOYSA-N	321.380	3.159	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCc2ccc(Cl)cc2)c1	114512492	ICVTWWIXSFRKDZ-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	122566905	ANKLZPFJQRYAFO-BZUAXINKSA-N	317.429	3.363	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)Cc2nccs2)c1O	177363416	UCOKRYBURHYUTK-UHFFFAOYSA-N	310.806	3.337	10	20	DGCD	
C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(O)c(O)c1	180789160	SRBCKDVDFHXUQJ-QVAQIGNMSA-N	301.386	3.291	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)N2CCC[C@H](C)C2)cc1	191582470	CYEQJANEKUXJKY-HNNXBMFYSA-N	304.434	3.169	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1	237947066	CSVZTGLUKFOHLP-GJZGRUSLSA-N	316.351	3.009	10	20	DGCD	
Cc1nscc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	272898854	JGIJGVZJLSVYEP-UHFFFAOYSA-N	315.442	3.322	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273496180	PEJVTMLHTUZNDV-UWVGGRQHSA-N	319.361	3.360	10	20	DGCD	
CC[C@H](C)[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	277181168	FHQTZKWCRSDONH-YOEHRIQHSA-N	304.434	3.266	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(CO)c(F)c1	278883829	OAUPECYUPCSHIK-UHFFFAOYSA-N	317.360	3.076	10	20	DGCD	
Cc1cc(Br)cc(CNC[C@H]2CCSC2)c1O	280591732	XORMHQOHTSZUJG-SNVBAGLBSA-N	316.264	3.306	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)OC2CCOCC2)cc1F	289708107	HVKUHALSICICOB-UHFFFAOYSA-N	324.396	3.077	10	20	DGCD	
c1cnn([C@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)c1	291365112	YTRBKZALIAPNHB-IBGZPJMESA-N	310.445	3.320	10	20	DGCD	
C[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ccc2[nH]c(=O)[nH]c2c1	321328303	JBNHCRWPDACELV-UWVGGRQHSA-N	315.348	3.113	10	20	DGCD	
CNC(=O)c1ccc(CN[C@H]2C[C@H](C)c3c(C)ccc(O)c32)cc1	323932271	ZSJCPTUNCLSOAQ-BBRMVZONSA-N	324.424	3.398	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2	378917864	NDHKKPTXIKBKIK-HGKSCXNLSA-N	314.473	3.438	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](F)C3)ccc21	452367892	DZBMTPDIIORJEF-HNNXBMFYSA-N	318.392	3.089	10	20	DGCD	
COCC1CCN(Cc2ccc(Br)cc2O)CC1	691677341	NCJKJKUWYJOJIH-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
CCOC[C@@H]1CCN(Cc2c(O)cccc2Br)C1	707144529	ODCMYCDJZVRIKV-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
CC(C)[C@@H]1CCCCN1C(=O)NCc1ccc(N(C)C)cc1	735328367	QHBSZZYIFSZLTP-KRWDZBQOSA-N	303.450	3.473	10	20	DGCD	
CC[C@@H](NCCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1	765925926	GMFMRUVKEJTOHY-OAHLLOKOSA-N	317.399	3.287	10	20	DGCD	
CC[C@H](N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N(C)C)cc1	766587399	XMKDKEHRJQJBNA-JVPBZIDWSA-N	301.478	3.276	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC[C@@H]2C(C)C)c1O	774885997	UNKWFFDMZBNGBN-CYBMUJFWSA-N	308.378	3.320	10	20	DGCD	
C[C@@H](NC(=O)c1ccc(F)cc1O)c1ccc(N(C)C)cc1	775410101	JPWHAUFGVHCCQL-LLVKDONJSA-N	302.349	3.088	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2ccc(F)cc2)CC1	779513256	GGWDWLYLXZSLPL-KRXBUXKQSA-N	313.328	3.056	10	20	DGCD	
Cc1cc(O)c(CN2CCN3CCOc4cccc2c43)cc1C	780782736	UDXIUAIOMUBJIA-UHFFFAOYSA-N	310.397	3.228	10	20	DGCD	
CC[C@@H]1C[C@H](CC(=O)N[C@@H](C)c2cc(OC)ccc2O)CCO1	782016186	YYENGCXVCGAFEH-BFHYXJOUSA-N	321.417	3.173	10	20	DGCD	
CCOc1ccc(N(C)CCOCC(F)(F)C(F)F)cc1	787252731	XYYHDOYUWOXGRE-UHFFFAOYSA-N	309.303	3.439	10	20	DGCD	
COC(=O)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H]1C	787421491	SGNGOPDWTUHEML-MAUKXSAKSA-N	316.445	3.060	10	20	DGCD	
COC(=O)C1CCC(NCc2c(O)ccc(Cl)c2F)CC1	790960047	SDXFCUMRZVNKFI-UHFFFAOYSA-N	315.772	3.006	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[C@H](C)C2)c1	793274336	SRRLLBILXMVIEZ-RWMBFGLXSA-N	306.406	3.197	10	20	DGCD	
COc1ccc(CNC(=S)N[C@@H](C)c2cccs2)c(O)c1	795032146	QKJYWUYXXBHDGS-JTQLQIEISA-N	322.455	3.188	10	20	DGCD	
C[C@@H](CNCc1ccc2c(c1)CCN2Cc1ccccc1)N(C)C	796285450	RUJFFOXTTQLFBL-KRWDZBQOSA-N	323.484	3.289	10	20	DGCD	
CCOc1cccc(CN[C@H](C)[C@H](O)c2ccc(C)cc2)c1O	796492907	YYXRHVVNSNVMRA-KDOFPFPSSA-N	315.413	3.311	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2c(C)ccnc2C)c1	806538051	SYQMFODUPTXJRS-NSHDSACASA-N	315.373	3.295	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCC2=CCCOC2)c1	813713128	XKNVKPOQUZTGFI-UHFFFAOYSA-N	324.424	3.479	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@@H](N2CCCC2)C1	816493110	PIPNODFMFXNMLN-CYBMUJFWSA-N	312.816	3.245	10	20	DGCD	
CC[C@@H](C)CN(C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817935025	SYJUKRIZOPXDDY-GFCCVEGCSA-N	317.458	3.434	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1F	817938255	HMQFERYQQXLXLG-XIKOKIGWSA-N	319.399	3.381	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCNC1)c1ccc(N2CCCCC2)c(F)c1	817945615	HVFSSQNUBLUIQB-HZPDHXFCSA-N	319.468	3.466	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2CCNC3(CCC3)C2)c2c(O)ccc(F)c21	817984884	BITYIFDGAIQULH-YRGRVCCFSA-N	304.409	3.344	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC[C@H](C2CC2)C1	819798120	SRDUAUSAVXXJMJ-HBXAWUERSA-N	301.386	3.196	10	20	DGCD	
COC(C)(C)C[C@@H](C)NCc1ccc(Br)cc1O	825316366	RXPATSWIKVLBKA-SNVBAGLBSA-N	316.239	3.448	10	20	DGCD	
COc1ccc(O)c(CN2CCC([C@@H]3CCCCO3)CC2)c1	827377299	VCNNHJHQPUILPP-SFHVURJKSA-N	305.418	3.182	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1nc(C2CC2)nn1C	828122881	PRQSZLNSHYLTLC-UHFFFAOYSA-N	312.417	3.044	10	20	DGCD	
Cc1cc(Br)c(O)c(CNC[C@@H]2CC[C@H](C)O2)c1	835086088	FBIKOAMCXAAVSR-JQWIXIFHSA-N	314.223	3.120	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1(F)CCCC1	839918671	CBYVXMFKXABRHV-CQSZACIVSA-N	306.425	3.391	10	20	DGCD	
CO[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H]1C	840122428	DBUFXZRWMOELNA-MLGOLLRUSA-N	307.434	3.252	10	20	DGCD	
CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)c1cc(F)ccc1O	840847001	JJPPOABPCZEPQH-LSKLOWJMSA-N	301.361	3.494	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H](C2(C)OCCO2)C1	840938357	CBTFQOZJPJKDLU-QGZVFWFLSA-N	318.461	3.036	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCNC[C@H]1c1ccccc1	841101303	RVAOCDMKFWXXBU-INIZCTEOSA-N	302.805	3.192	10	20	DGCD	
Cc1ccc([C@H](C)NC(=O)NCCc2ccc(N)cc2)s1	841729220	DZWFVMVKNRBJOD-LBPRGKRZSA-N	303.431	3.242	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(Cl)cc1O	842881976	MWAXBKZGDOJDHS-GXFFZTMASA-N	310.825	3.096	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC([C@H]2CCCN2)CC1	843043925	QHRDJNMZCOXSFL-LJQANCHMSA-N	301.478	3.025	10	20	DGCD	
Cc1noc(C2CC2)c1C(=O)NCc1cc(Cl)ccc1O	846474703	ZYRUTASXPSUOFR-UHFFFAOYSA-N	306.749	3.149	10	20	DGCD	
CCOc1cccc(CN2CCN(C(C)(C)CC)CC2)c1O	848925247	QUVSAIFRUKHVSD-UHFFFAOYSA-N	306.450	3.097	10	20	DGCD	
COCc1csc(/C=C2\SC(N3CCCCC3)=NC2=O)c1	849178515	ICNUUNVACXZMOT-JYRVWZFOSA-N	322.455	3.351	10	20	DGCD	
CCC[C@@H]1CCC[C@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	852792694	ZSTXDVYGZKCBHK-OLMNPRSZSA-N	317.477	3.085	10	20	DGCD	
CC(C)OCC(C)(C)NCc1cc(F)c(N(C)C)cc1F	858179166	ZZUGDUIQVWKWPM-UHFFFAOYSA-N	300.393	3.324	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNCc3cnccn3)c2C)c1	858292839	GHNSDUYIQGUVDC-UHFFFAOYSA-N	306.413	3.482	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2O)CC[C@@H]1C(=O)OC(C)(C)C	862486099	VNOZKPUCBAGRSY-HIFRSBDPSA-N	305.418	3.192	10	20	DGCD	
COC(C)(C)c1nsc(NCc2ccc(N(C)C)c(F)c2)n1	865296525	YTMYNDQEXJCYSS-UHFFFAOYSA-N	324.425	3.237	10	20	DGCD	
COC(=O)[C@H](NCc1ccc(C)cc1O)c1cc(C)cc(C)c1	877426560	BFWHJNSQNWILEC-GOSISDBHSA-N	313.397	3.321	10	20	DGCD	
Cc1noc(C[C@H]2CCCN(Cc3cccc(Cl)c3O)C2)n1	897579265	SFPKFFCRUSPBFB-GFCCVEGCSA-N	321.808	3.192	10	20	DGCD	
Cc1cc2cc(NCc3cc(F)ccc3O)ccc2n(C)c1=O	1117722626	CMPIIMOQVAMWQT-UHFFFAOYSA-N	312.344	3.304	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccc(Cl)cn1	1323418536	LNFLOKVRWWAGJO-UHFFFAOYSA-N	309.112	3.177	10	20	DGCD	
COc1ccc(CN[C@H](C)c2nc(C)cs2)c(O)c1OC	1334167681	GSXJFAGIBQFAQM-SNVBAGLBSA-N	308.403	3.025	10	20	DGCD	
CC1CCN(C[C@H]2CCCN(Cc3ccc(N)cc3)C2)CC1	1337834381	RFICMHOWIHJYNA-GOSISDBHSA-N	301.478	3.213	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C(N)=O)c1ccccc1	1339657807	HLZQEYUJCOBHES-UVBSCNOISA-N	310.397	3.065	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cc1	1468121588	OQUMRLUNMQIJCV-NKGKWGDASA-N	315.461	3.377	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(/C=C\C(=O)O)o2)cc1OC	1599584583	YTDVWWDUAVZQAT-CLFYSBASSA-N	317.341	3.031	10	20	DGCD	
CC(C)CN(CCC(=O)O)Cc1cc(Cl)c(F)cc1O	1609698643	GZHGGCANHTXDSA-UHFFFAOYSA-N	303.761	3.117	10	20	DGCD	
CC(C)(C)c1nc(CNCc2ccc(C(=O)O)cc2O)cs1	1776281016	ZXQHIZDEVOREKK-UHFFFAOYSA-N	320.414	3.134	10	20	DGCD	
CC[C@H](NCCCOC)c1cc(Br)ccc1O	20142519	FYEKROIHRYDJGM-LBPRGKRZSA-N	302.212	3.232	10	20	DGCD	
CC(C)Cc1nnc(NC(=O)N(C)Cc2ccccc2O)s1	47349299	OZHUXHNELGWTDR-UHFFFAOYSA-N	320.418	3.106	10	20	DGCD	
COc1cccc(CNC(=O)c2oc3ccccc3c2C)c1O	68488879	ZGKGSSMXSCACIE-UHFFFAOYSA-N	311.337	3.385	10	20	DGCD	
CC(=O)Nc1ccc(CCNCc2c(O)cccc2Cl)cc1	113335245	KYNMICZHBQMWSH-UHFFFAOYSA-N	318.804	3.336	10	20	DGCD	
CCC1(CNC(=O)NCc2cccc(OC)c2O)CCCC1	119941141	DUTNULIMIUGKOB-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
CC/C=C(/C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	145631168	SZBKSBMBIHSHBO-AGKVCYSUSA-N	302.418	3.057	10	20	DGCD	
CCO[C@@H]1C[C@@H](N(C)Cc2cc(OC)c(OC)cc2O)C1(C)C	160285096	MOEJHRSHFUTUID-IAGOWNOFSA-N	323.433	3.045	10	20	DGCD	
COc1ccc(N2CCCN(Cc3csc(C)n3)CC2)cc1	172319941	DYOMPNFDCYJFBS-UHFFFAOYSA-N	317.458	3.172	10	20	DGCD	
C[C@H]1CCC[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1	173200480	VEPMNRUVGSJKHP-UONOGXRCSA-N	302.418	3.304	10	20	DGCD	
C[C@H]1[C@H](C)CCCN1C(=O)NCCCSc1nccs1	177853157	FNMRQOJWFADWLZ-NEPJUHHUSA-N	313.492	3.455	10	20	DGCD	
CN(C)c1ccccc1N(C)C(=O)/C=C/c1ccc(Cl)nc1	179438591	WEISOGQNQYWTOP-PKNBQFBNSA-N	315.804	3.477	10	20	DGCD	
COc1cc(CSc2nccs2)c([N+](=O)[O-])cc1F	183853683	JNLUEHWXYJNNER-UHFFFAOYSA-N	300.336	3.491	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2cccnc2-n2cccn2)c1	184988459	GOPXVSFJVVXUOM-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2	185404154	IHJHDYDQWAYAPQ-CABCVRRESA-N	302.462	3.263	10	20	DGCD	
CN(CCNCc1cccc(Cl)c1O)C(=O)OC(C)(C)C	224576309	UCWGCOWLWHKCDQ-UHFFFAOYSA-N	314.813	3.002	10	20	DGCD	
CCOc1cccc(CNCCCN2CCCC[C@H]2C)c1O	236926958	RUIRVNCFWCHWHV-OAHLLOKOSA-N	306.450	3.145	10	20	DGCD	
CC[C@H](N[C@H](C)C[C@H](C)O)c1cc(Br)ccc1O	252769301	SJROXWXYSKCPAT-NRUUGDAUSA-N	316.239	3.355	10	20	DGCD	
CCN1C(=O)/C(=C/c2nn(CC)c3ccccc23)SC1=S	274542470	UMRNYBFMFVUQHJ-LCYFTJDESA-N	317.439	3.277	10	20	DGCD	
CC[C@H](NCc1cccnc1OCCOC)c1ccccc1O	274863719	DJBPYGYOQLVKBO-INIZCTEOSA-N	316.401	3.053	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCC(=O)c3ccccc32)cc1	284505194	MHGRKIPUNDKYKA-SFHVURJKSA-N	322.408	3.129	10	20	DGCD	
Cc1cccnc1CCCNCc1ccc(N(C)C)c(F)c1	294964842	IPWYWTISFWREBD-UHFFFAOYSA-N	301.409	3.318	10	20	DGCD	
CC[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccccc1O	295105754	KZIZMQCHZODWBQ-RDJZCZTQSA-N	303.377	3.176	10	20	DGCD	
CCN(Cc1cccc(S(C)(=O)=O)c1)c1ccc(OC)cc1	295724365	UWMXTWPMPODDEF-UHFFFAOYSA-N	319.426	3.125	10	20	DGCD	
C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1O	302992386	FGSXZEIUWKYGCG-PBHICJAKSA-N	314.404	3.456	10	20	DGCD	
CCOC(C)(C)CNC(=O)NCc1c(C)c2ccccc2n1C	349954543	MEJPEAMPTSUFKW-UHFFFAOYSA-N	317.433	3.101	10	20	DGCD	
Cc1cc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n[nH]1	733285095	AZPJWJHZQJHGKH-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ccccn1	734522238	MGUHRXPOOCWGFH-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(CC)CC	736004373	UCRKMZOICVJBMV-SFHVURJKSA-N	319.493	3.269	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N(CC(C)C)C2CC2)cc1	739927300	TZSJIRNAYQVIPX-UHFFFAOYSA-N	304.434	3.169	10	20	DGCD	
Cc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1O	743718571	GHULVGZSINIKDI-UHFFFAOYSA-N	311.381	3.215	10	20	DGCD	
CCOc1ccc(CNCCCC(=O)OC(C)(C)C)c(O)c1	744449937	IWRKMYNWEFTNET-UHFFFAOYSA-N	309.406	3.002	10	20	DGCD	
CCOc1ccccc1OCCOC(=O)c1cc(O)cs1	745002190	INQAKIGNHBTCNB-UHFFFAOYSA-N	308.355	3.088	10	20	DGCD	
CCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(C)C	746650631	DGZIOJBLMYZQMN-UHFFFAOYSA-N	319.493	3.079	10	20	DGCD	
COCCCCN[C@@H](C)c1cc(Br)c(F)cc1O	756424168	ULGAPCYBVSGAGX-VIFPVBQESA-N	320.202	3.371	10	20	DGCD	
C[C@@H](Nc1cnn(CCO)c1)c1ccc(Cl)c(Cl)c1O	756854593	FXOMFAMNHARYDF-MRVPVSSYSA-N	316.188	3.061	10	20	DGCD	
C[C@@H](Nc1cccc2c1oc(=O)n2C)c1cc(F)cc(F)c1O	756857981	ZKROGFFUKZGMPY-MRVPVSSYSA-N	320.295	3.288	10	20	DGCD	
CC(C)Oc1ccc(N(C)C[C@@H](O)COc2ccccc2)cc1	759929367	VBWOUFWFVVSJJG-QGZVFWFLSA-N	315.413	3.350	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2ccccn12	761751019	DAGHYLAHWUEPHU-UHFFFAOYSA-N	322.412	3.063	10	20	DGCD	
Cc1cc(C)c(O)c(CN(C)CCN(C)C(=O)OC(C)(C)C)c1	768459968	IZIBTHSGMRYNSJ-UHFFFAOYSA-N	322.449	3.308	10	20	DGCD	
C[C@@H](CCC1CC1)NC(=O)N(C)Cc1ccc(N(C)C)cc1	768965432	DTLXHGKQFHDEKQ-AWEZNQCLSA-N	303.450	3.473	10	20	DGCD	
O=C(c1cc(O)cs1)N(Cc1cccs1)C[C@@H]1CCCO1	770955796	PMTZLDBWIHUIDV-LBPRGKRZSA-N	323.439	3.337	10	20	DGCD	
CC[C@@H](N[C@@H](CO)CC(F)(F)F)c1cc(Cl)ccc1O	775524246	RAJWRXFUEKMTRR-MWLCHTKSSA-N	311.731	3.400	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1cccc(O)c1)c1ccc(N(C)C)cc1	781036179	NVKJOHPAVXGLKQ-VDBIKXPHSA-N	310.397	3.349	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OC[C@H]3CC[C@H](C)O3)sc2n1	789010099	AQAKNBGMZWNYGT-WDEREUQCSA-N	320.414	3.220	10	20	DGCD	
COc1ccc(CNC(=O)NCCC2=CCCCCC2)c(O)c1	793060978	ZWBVFKMTRLUBCP-UHFFFAOYSA-N	318.417	3.481	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)cc1Cl	793688742	HWPLFLCROGYPRO-UHFFFAOYSA-N	305.761	3.298	10	20	DGCD	
CC[C@H](NCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(C)cc1O	794789915	BAIYDMKMMUSVFF-BQFCYCMXSA-N	320.477	3.241	10	20	DGCD	
CC[C@H](NCCc1cn2c(n1)SCC2)c1ccc(F)cc1O	796944327	WBKFHZDJHQHSRO-AWEZNQCLSA-N	321.421	3.117	10	20	DGCD	
COCC[C@H]1CCC[C@@H]1NCCCSc1nccs1	800479638	HRPAEJANWPSCLE-OLZOCXBDSA-N	300.493	3.420	10	20	DGCD	
COc1cccc(CNc2nccc(C)c2Br)c1O	804424104	FMQSBNKRGCUIEY-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)C1CCC(CO)CC1	809763853	DSZJXEZEPBBKLX-UHFFFAOYSA-N	301.789	3.168	10	20	DGCD	
Cc1cc(CN2CC[C@H](C3CCOCC3)C2)ccc1N(C)C	815075941	OSOKOACADGSSGF-SFHVURJKSA-N	302.462	3.310	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CN[C@H]2CCCc3ccccc32)cc1	817938529	MMOZDKDCAJXQLR-PMACEKPBSA-N	309.457	3.420	10	20	DGCD	
CCCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1	817998985	OBEHREAUAQXUDY-UHFFFAOYSA-N	315.442	3.331	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](O)CNCc1ccc(N(C)C)c(F)c1	818985243	PJQOQDMGXRUWHZ-LIRRHRJNSA-N	316.420	3.146	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(Cl)no1	823662610	KPISHSRZEZEJNU-NSHDSACASA-N	321.808	3.063	10	20	DGCD	
COc1cc(F)cc(C[C@@H](C)NCc2cccc(OC)c2O)c1	825325496	CZFPZUWIVXSRHT-GFCCVEGCSA-N	319.376	3.269	10	20	DGCD	
Cc1cc(O)c(CN(CCCO)Cc2ccccn2)cc1Cl	825922016	FCZKAAWFYZHRRH-UHFFFAOYSA-N	320.820	3.134	10	20	DGCD	
CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cccc(CC)c1O	827751517	VVXSSGNSPDTBNW-QAPCUYQASA-N	305.418	3.166	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](CC)C(=O)OCC	839759022	HYSBRXPEZRMRJA-HNNXBMFYSA-N	321.417	3.110	10	20	DGCD	
C[C@H](N[C@@H](C)c1cc(Br)ccc1O)c1ccn(C)n1	840815960	JFSWHTCPUSPGCN-UWVGGRQHSA-N	324.222	3.300	10	20	DGCD	
CCOc1cccc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c1O	840827555	IVFJPDWCAMXBBA-OAHLLOKOSA-N	320.433	3.046	10	20	DGCD	
CN(C)c1ccc(/C=C/CN[C@H](Cc2ccccc2)C(=O)O)cc1	840995943	XCMWEVWULYJASG-MBNRZODZSA-N	324.424	3.051	10	20	DGCD	
COc1ccc(O)c(CNC[C@H](N)c2ccc(C(C)C)cc2)c1	841038566	YOWUJYRMVQTYRY-SFHVURJKSA-N	314.429	3.314	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)c1O	842887583	ZNZPSZVUQUXOHE-BXUZGUMPSA-N	324.852	3.404	10	20	DGCD	
COc1cccc(C2(c3noc(Cc4ccc(N)cc4)n3)CC2)c1	843231955	RNRKRFSJFPGZEX-UHFFFAOYSA-N	321.380	3.331	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC2(COC)CC2)cc1	843521867	HAPNHJOQEPRLAH-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2CO[C@@H](C)C2)c1C	844106274	MLFVNSPYFCREQU-HOCLYGCPSA-N	312.413	3.310	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@](C)(O)c2ccsc2)c1O	846142603	BAHWJDHAXNBAMR-BDJLRTHQSA-N	307.415	3.021	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1O	846162073	GHBRTNKMEZBPQD-ZANVPECISA-N	321.323	3.463	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2CCc3ccccc3OC2)c1O	846169042	XOZIAYPSWAIFCR-DZGCQCFKSA-N	313.397	3.445	10	20	DGCD	
CCc1cccc(CNCc2cccc(NC(=O)OC)c2)c1O	848910526	KZRSIIUJAVCPRA-UHFFFAOYSA-N	314.385	3.423	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1cccnc1N1CCCC1	850352669	DQFSDMHEKDPTOX-UHFFFAOYSA-N	317.820	3.331	10	20	DGCD	
Cc1cc(CNC(=O)NCCCF)c(C)n1-c1ccccc1	858304774	IOWNMGVLBAJZQP-UHFFFAOYSA-N	303.381	3.253	10	20	DGCD	
C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC2(CCC2)O1	862400285	SEVXPAKEUKKXNS-LBPRGKRZSA-N	310.388	3.174	10	20	DGCD	
C[C@@H](NC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1ccccc1O	868103137	GDVYCTFSYRNHCN-CKEIUWERSA-N	320.433	3.348	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnn(C(F)F)c1	868109298	CPIWISKOWGCMOC-UHFFFAOYSA-N	323.343	3.426	10	20	DGCD	
Oc1cccc(Cl)c1CNCCn1ccc(C(F)(F)F)n1	873157580	CMWYCHRQTYGXNF-UHFFFAOYSA-N	319.714	3.051	10	20	DGCD	
CC(C)[C@@H](CN[C@@H](C)c1c(O)cccc1F)c1ccnn1C	886599315	WDUVWGNIUVACRC-QWHCGFSZSA-N	305.397	3.355	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCCCO1	920348839	SNKYYOBUOFJLML-CQSZACIVSA-N	318.442	3.455	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2CCCN2CC(F)(F)F)c1	926923593	WRWQQGNPDBHZJH-OLZOCXBDSA-N	316.367	3.378	10	20	DGCD	
COc1ccc(CNC[C@H]2CCCN2C(=O)CC(C)C)cc1C	1034841608	BLBALWFIEFKLKE-QGZVFWFLSA-N	318.461	3.130	10	20	DGCD	
COC1CCC(C(=O)Nc2c(Cl)ccc3nonc23)CC1	1117507669	SKPIRYOQHIRTDJ-UHFFFAOYSA-N	309.753	3.020	10	20	DGCD	
CCCCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@@H]1C	1178151220	DLTXIRIWYWVHBP-RDJZCZTQSA-N	318.461	3.273	10	20	DGCD	
CC(=O)C1(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1	1333350484	MVRRNGDTKYZDIS-UHFFFAOYSA-N	310.397	3.254	10	20	DGCD	
C[C@H]1CN(C(=O)c2cccc3c2CCN3)c2ccc(F)cc2O1	1340100486	TUGRTJJWIRLIRJ-NSHDSACASA-N	312.344	3.221	10	20	DGCD	
CC1(C)CN(Cc2ccc(N3CCCC3)cc2)[C@@H]2COC[C@@H]21	1347792469	BDDCMGVTIUZZRB-ZWKOTPCHSA-N	300.446	3.144	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cccc3c2CCNC3)cc1F	1578422882	KUMBGMNVAKUCJE-UHFFFAOYSA-N	317.383	3.289	10	20	DGCD	
CCN(Cc1c(O)c(C(=O)O)cc2ccccc12)C[C@H](C)OC	1605454448	PSEPRPSLKMEVHL-LBPRGKRZSA-N	317.385	3.100	10	20	DGCD	
CCN1CCCc2cc(CN[C@H](C(=O)O)C(C)(C)CC)ccc21	1776875273	ULUZMTAIHJWVIK-QGZVFWFLSA-N	318.461	3.438	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3S2)cc1	14527387	JIWFVASEDYLEOM-KRWDZBQOSA-N	312.438	3.086	10	20	DGCD	
CC[C@H](NC1CCOCC1)c1cc(Br)ccc1O	36319474	NHFHCZUXUDVZMT-ZDUSSCGKSA-N	314.223	3.374	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](CN3CCCC3)C2)cc1	93604549	CCCKEXYUPYQXJN-IBGZPJMESA-N	315.505	3.451	10	20	DGCD	
CC(C)n1ncc2cc(CN(C)Cc3ccccc3O)cnc21	111236337	HGJBHQPHOWSQOV-UHFFFAOYSA-N	310.401	3.350	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCOCC(F)(F)F	111637278	NTTVRAKXCADQSR-GHMZBOCLSA-N	303.324	3.417	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1ccccc1	115855863	UAWSNIAXOICMQZ-UHFFFAOYSA-N	311.429	3.403	10	20	DGCD	
COc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1F	119720935	GIEUTQZXGRHJJY-UHFFFAOYSA-N	316.376	3.283	10	20	DGCD	
CCCCCNC(=O)C1CCN(Cc2cc(C)ccc2O)CC1	153020675	IPHUBQKZBXIPTE-UHFFFAOYSA-N	318.461	3.219	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2ccccc2F)c1	153890162	VASUPBMWBRCTRR-OFFHKIPUSA-N	315.344	3.431	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccsc2)c1	171735467	ISOOXALEKIHLBW-SNVBAGLBSA-N	306.387	3.023	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccc(F)cc2O1	173519976	PQFXSKJCVJFPDK-XGQHYKRYSA-N	316.307	3.187	10	20	DGCD	
COc1ccc(O)c(CN2CCO[C@H](c3cccc(F)c3)C2)c1	180024731	RQBOTDFZFJCUFD-SFHVURJKSA-N	317.360	3.113	10	20	DGCD	
Cc1cnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1	180582308	WTJONCBINIDCOV-HNNXBMFYSA-N	318.442	3.338	10	20	DGCD	
C[C@@H](NC[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1O	183371525	PBGGBFNWVPBAJG-DYVFJYSZSA-N	302.393	3.485	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@H](C)c2ncc(C)s2)c1O	185011392	KNHCSWWHYWUXIS-SECBINFHSA-N	308.378	3.350	10	20	DGCD	
O=C(c1cccc(O)c1O)N(CCc1cccc(F)c1)C1CC1	185656398	VEPDPNMVXSFKHV-UHFFFAOYSA-N	315.344	3.084	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@H](C)NC(=O)OC(C)(C)C)c1	192684040	GJDQTORADVOZTP-QWHCGFSZSA-N	308.422	3.264	10	20	DGCD	
O=C(Nc1cc(Cl)cc(Cl)c1O)c1cccc(O)c1O	229417001	COUFCIWYDJNMKE-UHFFFAOYSA-N	314.124	3.363	10	20	DGCD	
C[C@H](OCCCNC(=O)Cc1ccc(N)cc1)c1ccccc1	237575340	CQLODVCNFFGQMU-HNNXBMFYSA-N	312.413	3.095	10	20	DGCD	
O=C(/C=C\c1cncc(F)c1)N1CCCc2cc(F)ccc21	255659495	AWGJMUIYEXALAZ-UTCJRWHESA-N	300.308	3.352	10	20	DGCD	
COc1cccc(CN(C)C[C@@H]2OCCc3ccccc32)c1O	271133999	LLUWGIGYLMUZLO-SFHVURJKSA-N	313.397	3.147	10	20	DGCD	
CCCN(CCC)c1ccc(CN[C@]2(C)CCOC2=O)cc1	289828346	OCNVLZLWRLMLQR-GOSISDBHSA-N	304.434	3.108	10	20	DGCD	
CC(C)[C@@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2	293664679	FWKHRILKVWKIIM-UABRLCRWSA-N	301.386	3.148	10	20	DGCD	
Cc1cccc(CN[C@@H](C)CCCNC(=O)OC(C)(C)C)c1O	295123950	NRAYTYKDHIZYJH-AWEZNQCLSA-N	322.449	3.484	10	20	DGCD	
CCOC(=O)Nc1ccc(OCc2cc(C(=O)O)oc2C)cc1	737147336	ULZQRFZSOSQMMV-UHFFFAOYSA-N	319.313	3.434	10	20	DGCD	
C[C@@H]1CCN(CCNCc2ccc(N3CCCCC3)cc2)C1	744450030	JJYSAMVIESMYDF-QGZVFWFLSA-N	301.478	3.108	10	20	DGCD	
CCCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccccc1O	750875750	WOVCVRKWHALITP-DOTOQJQBSA-N	318.461	3.299	10	20	DGCD	
O=C(OCc1nc(C(F)(F)F)cs1)c1cc(O)cs1	751716672	XOHUTIKJKYBQHP-UHFFFAOYSA-N	309.290	3.286	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](C)SC)cc1	752218326	VBQWQSHJJXHQLW-AWEZNQCLSA-N	323.506	3.426	10	20	DGCD	
COCC1(NCc2ccc(OCc3ccccc3)cc2O)CC1	753570951	MKSYDNXIHDLYBT-UHFFFAOYSA-N	313.397	3.240	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2c(C)noc2C)c1O	754158027	MXVSXFSMNQLFMX-QMMMGPOBSA-N	306.337	3.190	10	20	DGCD	
CNC(=O)c1ccc(CN[C@H](C)c2cc(Cl)ccc2O)cc1	756395259	IKNVOTPYGWITBM-LLVKDONJSA-N	318.804	3.256	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2ccc[nH]2)cc1	760308821	WNJROKPZXFJKQF-CQSZACIVSA-N	314.433	3.421	10	20	DGCD	
CCN(C)c1ccc(CNCC(CC)(CC)C(=O)OC)cc1	773785541	FWOROJRKXHQCDF-UHFFFAOYSA-N	306.450	3.212	10	20	DGCD	
Cc1nc(-c2ccc(NCc3ccccc3O)nc2)nc(O)c1C	774523654	IUVQHHRBJVPOBU-UHFFFAOYSA-N	322.368	3.179	10	20	DGCD	
CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cc(C)ccc2O)C1	775199742	GCBZIPHJYUCAAO-SFHVURJKSA-N	305.418	3.112	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775411189	PINOUOZTIFNYDD-XMELGKRDSA-N	309.413	3.347	10	20	DGCD	
CCCN(C)C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775723645	CQZOVLXDWODVHX-LBPRGKRZSA-N	314.832	3.348	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1cc(F)cc(F)c1	782294877	BNNNCTFWOGOUBE-DUXPYHPUSA-N	306.264	3.133	10	20	DGCD	
CC(C)c1nc([C@H](C)NCc2c(O)ccc(Cl)c2F)n[nH]1	790981874	ZIWWYAARQOXQJE-QMMMGPOBSA-N	312.776	3.277	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2CCCCO2)c(C(F)(F)F)c1	792936851	WUDQWNYVLLEBDF-AWEZNQCLSA-N	316.367	3.430	10	20	DGCD	
Cc1cccc(CNc2ccc(F)c(N3CCOC3=O)c2)c1O	793321199	WRWHVDRPXZGPDC-UHFFFAOYSA-N	316.332	3.408	10	20	DGCD	
C[C@@H]1COCC[C@@H]1CNCc1ccc(N2CCCCC2)cc1	796498810	YDGGZXFYOMRKQJ-SJLPKXTDSA-N	302.462	3.439	10	20	DGCD	
CO[C@H](C)CN(C)CC(=O)c1cc(C)n(-c2ccccc2)c1C	796641950	NHKCWOJAYJUPEB-OAHLLOKOSA-N	314.429	3.244	10	20	DGCD	
CC[C@@H](NCC1([S@](C)=O)CCC1)c1cc(Cl)ccc1O	798005570	WVUGTWNRQDMJPA-XCLFUZPHSA-N	315.866	3.388	10	20	DGCD	
CC1(C)CC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2	806018583	HBGTZVWCVDKBSC-MRXNPFEDSA-N	302.418	3.259	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(Cl)c1	808094537	SWJSQFBXTFGYKF-UHFFFAOYSA-N	310.777	3.461	10	20	DGCD	
CC(=O)N1CCC[C@H](CN[C@H](C)c2cc(Cl)cc(C)c2O)C1	808717323	BZISFJLXBWHDCL-TZMCWYRMSA-N	324.852	3.263	10	20	DGCD	
CC[C@@H](NCCOCCOC)c1ccc(C(F)(F)F)cc1O	810213186	OBDIKMOQSHJODN-CYBMUJFWSA-N	321.339	3.115	10	20	DGCD	
CC[C@@H](N[C@H](CO)C(C)C)c1ccc(C(F)(F)F)cc1O	810222620	XHECYHRRJIUHFZ-CHWSQXEVSA-N	305.340	3.469	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)cc1	815118809	MEZKCOCZNUQXLS-QGZVFWFLSA-N	318.852	3.440	10	20	DGCD	
Cc1cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1N(C)C	815119746	GHQOGZRTALGZEF-ZWKOTPCHSA-N	302.462	3.450	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@]2(O)CCc3ccccc32)c(O)c1	815598642	ZDEYYNTZNNDXAT-YWZLYKJASA-N	311.425	3.494	10	20	DGCD	
C[C@H]1[C@@H](N2CCCC2)CCN1Cc1cc(Cl)c(F)cc1O	816609527	FDWHDAQCYHNREI-NHYWBVRUSA-N	312.816	3.243	10	20	DGCD	
CC[C@@H](NCCNC1CC1)c1ccc(C(F)(F)F)cc1O	817953559	OFRPSKMLVVZLMT-CYBMUJFWSA-N	302.340	3.204	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C2(C(F)(F)F)CCC2)cc1	822227175	YHWWRFITANRKOI-UHFFFAOYSA-N	300.324	3.101	10	20	DGCD	
COC(=O)[C@H]1C[C@@H](NCc2cc(-c3ccccc3)ccc2O)C1	827500945	OOHSBQPZEYXRKG-WOVMCDHWSA-N	311.381	3.100	10	20	DGCD	
Fc1cc(CN[C@@H]2CCC[C@H]3C[C@H]32)cc(F)c1N1CCOCC1	839146188	YVMFOZSYZCRZJC-JJRVBVJISA-N	322.399	3.080	10	20	DGCD	
CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C(C)C	839146702	RLAQYMDEBBHYSI-INIZCTEOSA-N	312.404	3.326	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)Nc2nnn(C)c2C)c1C	839942667	JMDJSLFVMHSKKD-UHFFFAOYSA-N	323.400	3.092	10	20	DGCD	
CO[C@H]1CCN(Cc2c(O)ccc3ccncc23)CC1(C)C	840123056	GKSZTGLFMPOUCF-KRWDZBQOSA-N	300.402	3.187	10	20	DGCD	
CCCCC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)C(C)(C)C	841038288	IRVCXBGSNQKGTF-OAHLLOKOSA-N	319.449	3.319	10	20	DGCD	
C[C@@H](NCCCOC1CCOCC1)c1ccc(Cl)cc1O	841752280	SBFKUGSHZRHVNY-GFCCVEGCSA-N	313.825	3.282	10	20	DGCD	
C[C@H](NCc1ncccc1N(C)C)c1ccc(Cl)cc1O	841752826	CKIVUSQEQAVYJQ-NSHDSACASA-N	305.809	3.357	10	20	DGCD	
COc1c(C)cnc(CN2CCCc3cc(CN)ccc32)c1C	844219576	LDKXKVNXYWUGMJ-UHFFFAOYSA-N	311.429	3.119	10	20	DGCD	
CSCC1(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	844484349	DERZTYIQGLOFIM-ZDUSSCGKSA-N	306.475	3.463	10	20	DGCD	
C[C@H](N[C@@H](CO)CCF)c1ccc(N2CCCCCC2)cc1	846207981	DIJNNGDRLVECFA-DOTOQJQBSA-N	308.441	3.438	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccn2c(C)cnc2c1	847571907	OCBZLERAEWUOKV-UHFFFAOYSA-N	323.396	3.401	10	20	DGCD	
COC[C@@H](N[C@H]1CCc2cccc(O)c21)c1cccc(OC)c1	850512782	BACIKKPNOQVUCH-DLBZAZTESA-N	313.397	3.365	10	20	DGCD	
Cc1cccc(OCCC(=O)NCc2cc(Cl)ccc2O)c1	857546401	CDJYSPJTYHCMFK-UHFFFAOYSA-N	319.788	3.439	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2c(C)noc2C2CC2)c1	860930602	ZRGXKUYASPASMN-UHFFFAOYSA-N	301.346	3.196	10	20	DGCD	
COC(=O)CC[C@H](NCc1ccc(C)cc1O)c1ccccc1	877007922	HVEWXAIHILIVCI-KRWDZBQOSA-N	313.397	3.485	10	20	DGCD	
Cc1ccc(O)c(CNc2cccc([C@@]3(C)COC(=O)N3)c2)c1	883326883	MIDGBXGCYKWLPR-GOSISDBHSA-N	312.369	3.268	10	20	DGCD	
C[C@@H](NCc1cccc(CN(C)C)c1)c1c(O)cccc1F	886496752	GOMAQCUBOYNHHG-CYBMUJFWSA-N	302.393	3.444	10	20	DGCD	
COC(=O)N1CCC([C@H](C)N[C@H](C)c2c(O)cccc2F)CC1	886594557	OYOTYWVEBNAOGQ-NWDGAFQWSA-N	324.396	3.049	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1O	894359499	QGULUTZZVLXAKY-ZTFGCOKTSA-N	317.429	3.147	10	20	DGCD	
CCN(Cc1ccc(OC)c(OC)c1O)c1cccc(O)c1	895475637	ITTQNZDFUINYQB-UHFFFAOYSA-N	303.358	3.142	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCn2nc(C3CC3)cc2C1	896938287	NUHHUAXQQKWAEI-UHFFFAOYSA-N	310.445	3.151	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)CCOc3ccccc32)cc1	929401223	CIQBSXAJZFKBEC-FQEVSTJZSA-N	324.424	3.109	10	20	DGCD	
COc1ccc(CN[C@H]2CCC[C@@H](NC(=O)C(C)C)C2)cc1C	980921088	GZOMYRXVOKJTMQ-DLBZAZTESA-N	318.461	3.177	10	20	DGCD	
Cc1cc(C(=O)NCCc2ccc(N)cc2)c(C)n1CC1CC1	1118203833	YGCPGJUEKHZNRU-UHFFFAOYSA-N	311.429	3.070	10	20	DGCD	
CCN(Cc1ccc(N)cc1)CC1CCN(c2ccccn2)CC1	1120371390	XKTYYGLUMUVAHG-UHFFFAOYSA-N	324.472	3.402	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@H]2CC[C@H](C)CC2)cc1C	1148494436	PENWZGAYOIUWFD-CZIWCDLHSA-N	318.461	3.036	10	20	DGCD	
CCC(C)(C)C(=O)NCCCNCc1ccc(OC)c(C)c1	1165550959	SEICRIDQLRLJEF-UHFFFAOYSA-N	306.450	3.036	10	20	DGCD	
COCCC1(CNCc2cc(F)c(N(C)C)cc2F)CCC1	1261813702	CEJQOBRZKDJSBA-UHFFFAOYSA-N	312.404	3.327	10	20	DGCD	
CC(C)c1noc(CCN[C@H]2C[C@H](C)c3c(F)ccc(O)c32)n1	1320253434	WAJYLXOYYAKOMV-JQWIXIFHSA-N	319.380	3.418	10	20	DGCD	
CC(=O)N1CCC[C@H](CN[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)C1	1321074687	SCAGKJCMAGBRHS-NUEKZKHPSA-N	316.445	3.097	10	20	DGCD	
CC(C)(NC(=O)NCCc1ccc(N)cc1)C1CCCCC1	1325373047	SOBXNZCSQUFCNW-UHFFFAOYSA-N	303.450	3.469	10	20	DGCD	
CC[C@@H](C[C@@H](C)CO)NCc1c(O)cccc1Br	1329139432	DYIKRMDAYWPEFZ-MNOVXSKESA-N	316.239	3.041	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CCCC2(CC2)C1	1340027364	YRGUHJKPNYSBAD-UHFFFAOYSA-N	304.419	3.113	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1C[C@H](C)[C@H](C)[C@H]1C	1342569384	MEELZKOCGUVNCA-GARJFASQSA-N	306.435	3.213	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccc(C)nc2Cl)c(O)c1	1344762750	YXLDWMDPPRDOTQ-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2sccc2O)n1CC	1520737656	ANCZPWNABZGGSH-WDEREUQCSA-N	306.435	3.357	10	20	DGCD	
C[C@H]1CCC[C@@H](C)N1CCN[C@H](C)c1cc(C(=O)O)ccc1O	1593266441	DPLGSKOCQOGONO-HZSPNIEDSA-N	320.433	3.004	10	20	DGCD	
O=C(O)[C@H]1C[C@@H](NCc2ccc(F)c(F)c2O)c2ccccc21	1605983885	PHVFXWSGYJNDPR-GXTWGEPZSA-N	319.307	3.073	10	20	DGCD	
Cc1cc(COc2ccc(N(C)C)c(C(=O)O)c2)cc(Cl)n1	1607651094	PZNIFTGYZXQODF-UHFFFAOYSA-N	320.776	3.387	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccs2)c1	103505076	QXZKGEOCJUOWNM-SNVBAGLBSA-N	306.387	3.023	10	20	DGCD	
C[C@@H](NC1CCN(CC2CC2)CC1)c1ccc(N(C)C)cc1	178254481	BAGBICGNSUNGJJ-OAHLLOKOSA-N	301.478	3.278	10	20	DGCD	
CN(C)Cc1cccc(CNCc2c(O)cccc2Cl)c1	113318049	LXAPPDHYWJGIOJ-UHFFFAOYSA-N	304.821	3.397	10	20	DGCD	
CCCCCNC(=O)CSc1ncc(-c2ccccc2)n1C	10088882	HBPVENOHANOAQS-UHFFFAOYSA-N	317.458	3.486	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)c1c(C)noc1C	115281318	AAOZEVKXXHMBLV-LBPRGKRZSA-N	315.417	3.086	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H]2CN2CCCC2)c1O	184684159	CCSZNJYNQSWCPV-OAHLLOKOSA-N	324.852	3.114	10	20	DGCD	
O=C(c1ccccn1)N(Cc1ccco1)Cc1ccccc1O	72622108	SLSPZHIBGNRREE-UHFFFAOYSA-N	308.337	3.223	10	20	DGCD	
Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccccc2)c(O)c1	185079405	FLFIJIMGXOXSLS-HNNXBMFYSA-N	312.413	3.010	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCOC2=O)cc1)c1ccccc1O	183732180	UGNMDSAHXDJNST-CYBMUJFWSA-N	312.369	3.200	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](Cc2ccccc2)C1	180809244	UIXYAKOEGXBMDE-UGAXZCSASA-N	323.392	3.202	10	20	DGCD	
COCc1noc(CN(c2ccc(OC)cc2)[C@H](C)C2CC2)n1	182652995	XSCLMGLBKIGUJX-GFCCVEGCSA-N	317.389	3.030	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NC1CCN(C2CC2)CC1	315473546	KCSDXZZGEVZTCQ-XJKSGUPXSA-N	300.446	3.465	10	20	DGCD	
CC(C)N1CC[C@@H](CNCc2ccc(N3CCCC3)cc2)C1	314945589	RPPZQLDYTMVFFG-SFHVURJKSA-N	301.478	3.107	10	20	DGCD	
O=C1/C(=C/c2ccsc2)SC(=S)N1Cc1ccon1	130338140	QOLWEBKAHKIQKK-YHYXMXQVSA-N	308.409	3.138	10	20	DGCD	
COCc1ccc(NCc2cc(OC)c(OC)cc2O)cc1	195102040	OSXPZSIFOJQBQC-UHFFFAOYSA-N	303.358	3.168	10	20	DGCD	
CCSCc1ccc(C(=O)NCCc2ccc(N)cc2)cc1	236862290	RMHKWKLXJFIMEP-UHFFFAOYSA-N	314.454	3.494	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCSC1	266836798	VRPGEIDOSAVTSE-OAHLLOKOSA-N	321.490	3.178	10	20	DGCD	
OC[C@@H](CNCc1cccc(Cl)c1O)Cc1ccc(F)cc1	271945343	XHPINCZXNMSZOP-CYBMUJFWSA-N	323.795	3.126	10	20	DGCD	
CCOc1ccc(O)c(CNCC2(c3ccccn3)CCC2)c1	367597410	NDMDEHSDTPOUCB-UHFFFAOYSA-N	312.413	3.397	10	20	DGCD	
CCc1ccccc1CNCc1ccc([N+](=O)[O-])c(OC)c1O	278297686	CNHAWICSKSNZHH-UHFFFAOYSA-N	316.357	3.161	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@](C)(O)C1CC1	282436483	HVAYXEHOGLGNOE-GOSISDBHSA-N	305.418	3.072	10	20	DGCD	
C[C@H](NCC1([S@](C)=O)CC1)c1ccc(N2CCCCC2)cc1	282317566	NJCQEUYCYHJJKO-NYHFZMIOSA-N	320.502	3.239	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21)c1ccccc1O	808724513	WKRRTXGSWFMMPM-LEUOFYLZSA-N	316.445	3.080	10	20	DGCD	
Cc1cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1N(C)C	293815575	ONVSRODZTSLWJH-BEFAXECRSA-N	312.461	3.341	10	20	DGCD	
O=C(NC1[C@H]2CC[C@H]1Cc1ccccc1C2)c1cccc(O)c1O	805305431	JRRKZZXPEPUHKC-GJZGRUSLSA-N	323.392	3.021	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H](C(N)=O)c2ccccc2)c1O	808674008	MGANXQHQHDIYON-XHDPSFHLSA-N	318.804	3.231	10	20	DGCD	
Cc1ccc(C(=O)O[C@H](C)c2nc3ccccc3o2)c(O)c1O	801252409	UQKOHHMSBSVQMY-SNVBAGLBSA-N	313.309	3.465	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](CO)C2CCCCC2)cc1F	815150812	PAGHLMUUOQSWBI-MRXNPFEDSA-N	308.441	3.170	10	20	DGCD	
CCC[C@H](C)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819583583	XQYVTVAGKDUWNA-HOTGVXAUSA-N	318.461	3.464	10	20	DGCD	
COc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1C	810165609	XCQBHISVEHDIET-UYAOXDASSA-N	311.425	3.259	10	20	DGCD	
Cc1cccc(NC(=O)C[C@@H](C)NCCc2ccc(N)cc2)c1	817956353	XCYTZWDRKBLCRL-OAHLLOKOSA-N	311.429	3.127	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)ncn1	815599548	VRWKQVMJXBJVLB-SNVBAGLBSA-N	311.307	3.360	10	20	DGCD	
COc1ncc([C@H](C)NCCc2ccc(N)cc2)cc1Cl	817958509	WMPAMLOMWZSPHZ-NSHDSACASA-N	305.809	3.219	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F	824715096	HQNLEOBRZORQCM-KYJSFNMBSA-N	306.425	3.017	10	20	DGCD	
CCOCc1cc(CN[C@H](C)[C@@H](OC)C2CC2)ccc1OC	825098206	CVASZTPKWONYPU-FZKQIMNGSA-N	307.434	3.135	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2ccsn2)cc1F	823213823	RJWDGLDBRPTTLA-UHFFFAOYSA-N	307.394	3.058	10	20	DGCD	
COc1ccc(N2CCC(Nc3cccc(OC)n3)CC2)cc1	826769793	RNVSIBUZSFVKAF-UHFFFAOYSA-N	313.401	3.180	10	20	DGCD	
C/C(=C\C(=O)N1C[C@H](C)Oc2cc(C)ccc21)c1cnccn1	826836932	LLUFZLUWRUFOLK-SSUFTNFISA-N	309.369	3.002	10	20	DGCD	
CN(Cc1nc2ccccc2s1)C(=O)c1cc(O)cs1	731864380	SXDOUUJVCXAJJZ-UHFFFAOYSA-N	304.396	3.336	10	20	DGCD	
COCC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC1	837342041	OOTMTPCWUXVHGR-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
C[C@H](CC1CCCC1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832274833	ZOZGNRBBRNMRFH-KDOFPFPSSA-N	317.477	3.085	10	20	DGCD	
CC(=O)SCCCCCCNC(=O)c1cc(O)cs1	832369538	PJQFKISPVMNAMC-UHFFFAOYSA-N	301.433	3.024	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1	839637104	VFVNIJGLKBZPPH-UXHICEINSA-N	310.441	3.451	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCn2cccn2)c1	734124330	ZQOUGESZWJVXQZ-UHFFFAOYSA-N	322.412	3.029	10	20	DGCD	
Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(O)cs3)C2)cc1	743718784	RTHIFHFIJPDDPY-CYBMUJFWSA-N	316.426	3.161	10	20	DGCD	
OC[C@H](CNCc1cccc(Cl)c1O)c1ccc(F)cc1	840964260	VOGOVTHXRGRKBI-ZDUSSCGKSA-N	309.768	3.050	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CN)C(C)(C)C)c(C(F)(F)F)c1	841087153	JQJUSKYJSLRCET-AWEZNQCLSA-N	317.399	3.234	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C	843852662	ZHLGZQNNWUUNSF-KWCYVHTRSA-N	305.418	3.217	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(CC(F)F)C1)c1cc(Cl)ccc1O	841764593	GWVNHXHJSIHCKP-MWLCHTKSSA-N	304.768	3.036	10	20	DGCD	
CCc1cccc(CN[C@H](C[S@](C)=O)c2ccccc2)c1O	848901464	SQBWVVFDTQBQFI-VGSWGCGISA-N	317.454	3.164	10	20	DGCD	
OC[C@H](CCF)N[C@H](CCc1ccccc1)c1ccccc1O	846210025	WFFPZWYUZGWFSF-FUHWJXTLSA-N	317.404	3.376	10	20	DGCD	
CCc1cccc(CNCCc2nnc(-c3ccccc3)o2)c1O	848898289	AFXVNHLDKAJACP-UHFFFAOYSA-N	323.396	3.337	10	20	DGCD	
Cc1ccccc1[C@H](O)CNCc1cc(F)c(N(C)C)cc1F	858134885	JKRZULCLNQIARL-GOSISDBHSA-N	320.383	3.162	10	20	DGCD	
Oc1ccccc1CN(CCC1OCCCO1)C1CCCC1	754656977	QDVBDJWCDALNLV-UHFFFAOYSA-N	305.418	3.290	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCCSCC(C)C)c1	858321579	AHKFNXNNVXHMGD-UHFFFAOYSA-N	310.463	3.279	10	20	DGCD	
COc1ccc(N2CCCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1	768997259	BYPMJRHJGRNETI-OKZBNKHCSA-N	312.457	3.420	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc(F)cc1C	866598462	DFIFPGMXRBKQOK-UHFFFAOYSA-N	302.349	3.287	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(C(F)F)cc1	762268442	GGQQNOMROXDOCM-UHFFFAOYSA-N	307.296	3.008	10	20	DGCD	
CCN(CCC(=O)OC)Cc1cc(-c2ccccc2)ccc1O	768993350	VCKRWNDQLXKOCZ-UHFFFAOYSA-N	313.397	3.444	10	20	DGCD	
O=[N+]([O-])c1cc(CN2CCSCC2)ccc1N1CCCCC1	768237376	QCLFEKPOCFCTFY-UHFFFAOYSA-N	321.446	3.134	10	20	DGCD	
Cc1ccc(NCc2c(C)cccc2O)cc1N1CCNC1=O	877482870	JDAGBGBFTQOURX-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
COc1ccc(CNCc2c(C)cccc2O)c(OC)c1OC	876943697	HLTOZMFYDDJWIJ-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
CN1CCN(c2ccc(CN(C)C3CCCCC3)cc2)CC1	775638224	CONGJMFOKPVUHI-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
C[C@H](N[C@H](C)C(=O)N(C)C)c1ccc(N2CCCCCC2)cc1	773042484	BDENFTURTNEEPZ-JKSUJKDBSA-N	317.477	3.194	10	20	DGCD	
CCN(C)c1ccc(CN2CCO[C@@H](c3ccco3)C2)cc1	773765803	NNNAZBRTMNHRIS-GOSISDBHSA-N	300.402	3.309	10	20	DGCD	
C[C@H](NCCN(C)C(=O)OC(C)(C)C)c1c(O)cccc1F	886521148	VTUAAJVBBIKOSP-NSHDSACASA-N	312.385	3.049	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCO[C@H]2c2ccccc2)c1O	895415877	OEFLYJNZJSGOPJ-APWZRJJASA-N	313.397	3.329	10	20	DGCD	
COc1ccc(O)c(CNc2cccc3c2OCC[C@@H]3OC)c1	790944550	BKBLUXFVEYSNPG-KRWDZBQOSA-N	315.369	3.483	10	20	DGCD	
CN(CCCN(C)Cc1ccco1)Cc1ccc(N(C)C)cc1	796675342	MQQPCRWVCFJSHZ-UHFFFAOYSA-N	315.461	3.300	10	20	DGCD	
CCOC1CC(CCNCc2c(O)ccc(Cl)c2F)C1	790992210	UDBICKSZLVJVCG-UHFFFAOYSA-N	301.789	3.480	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)n1cccc1	1327648457	NAXFUUYFVXXAQH-MRXNPFEDSA-N	311.429	3.356	10	20	DGCD	
COc1ccc(O)c(CNC2CC(OCc3ccccc3)C2)c1	716298252	WUQSVNSNBQYYLC-UHFFFAOYSA-N	313.397	3.238	10	20	DGCD	
CN(CCCC(=O)O)Cc1ccc(N(C)C)cc1C(F)(F)F	1574008191	ZBANRZBTMQGROG-UHFFFAOYSA-N	318.339	3.068	10	20	DGCD	
CCN1CCCc2cc(CN[C@@]3(C(=O)O)CCC[C@H]3C)ccc21	1776876039	NVPCLCALWAXZKS-KUHUBIRLSA-N	316.445	3.192	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)C[C@@H](C)O	153858380	HRJYCMFQSBNPMT-SMDDNHRTSA-N	320.458	3.292	10	20	DGCD	
COCc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1	31730622	QNGRLJKPCXDRNK-UHFFFAOYSA-N	313.401	3.221	10	20	DGCD	
CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(O)c(O)c1	67454535	ORDZWVGHMALPNF-OAHLLOKOSA-N	318.760	3.338	10	20	DGCD	
C[C@H](Nc1cccc(F)n1)c1ccc(N2CCOCC2)cc1	68463404	SREGZJMMWDPJAF-ZDUSSCGKSA-N	301.365	3.230	10	20	DGCD	
COc1ccc2nc(NC(=O)Cc3ccc(N)cc3)sc2c1	71700160	XBMJFVZSZRMMHZ-UHFFFAOYSA-N	313.382	3.068	10	20	DGCD	
COCCOc1ccc(CNCc2c(O)cccc2Cl)cc1	113321395	PZFOQEOSKAFOOE-UHFFFAOYSA-N	321.804	3.361	10	20	DGCD	
C1=CCN(c2ccc(CNc3ncnc4ncccc34)cc2)C1	119566123	AGGVTPFZOKZHCM-UHFFFAOYSA-N	303.369	3.013	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	121850290	FTVFRFCLOCEVOY-KSZLIROESA-N	300.446	3.108	10	20	DGCD	
O=C1NC(=S)S/C1=C/c1cc(F)cc(C(F)(F)F)c1	157201379	LRYLMMRKCWTHGL-FPYGCLRLSA-N	307.293	3.333	10	20	DGCD	
COc1cccc(CNC(=O)c2cccc(Cl)c2F)c1O	159712135	NYTUUMPYNLWPPN-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2nc(C3CC3)cs2)c1	172019428	WVVYRBUCFXSBDQ-UHFFFAOYSA-N	319.386	3.056	10	20	DGCD	
COCc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cc1	184941914	JXNRIGZWBLJVDI-ZDUSSCGKSA-N	301.386	3.398	10	20	DGCD	
Cc1cccc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	186427215	NGJWLIJFPDKZCS-AWEZNQCLSA-N	313.397	3.086	10	20	DGCD	
CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc2ccccc2c1O	188491745	UGEHWAKYIITWJS-STQMWFEESA-N	300.402	3.063	10	20	DGCD	
C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1ccccc1O	192916114	TUFZVDSMJOJPJR-GDBMZVCRSA-N	300.402	3.473	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](C3CCN(C)CC3)C2)cc1C	270050777	MEGZOLPRRHYGGH-QGZVFWFLSA-N	302.462	3.173	10	20	DGCD	
CCCN(Cc1ccccc1O)Cc1cn(C)nc1C(F)F	274468132	JBPONNLBUOOLCH-UHFFFAOYSA-N	309.360	3.476	10	20	DGCD	
COc1ccc(N(Cc2ncnn2C(C)C)C(C)C)cc1F	280091245	SATQBPWWHXDYLO-UHFFFAOYSA-N	306.385	3.422	10	20	DGCD	
CC[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1O	286356678	ZMJLRWZNJAUHID-CVEARBPZSA-N	307.340	3.445	10	20	DGCD	
CCOCc1cc(CN[C@@H](CCO)C(C)(C)C)ccc1OC	290960174	WCQCELMZIKHDPZ-KRWDZBQOSA-N	309.450	3.118	10	20	DGCD	
Cc1cnccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1	294502053	BJYPJLQFGAHROJ-SFHVURJKSA-N	312.413	3.277	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N2CCC[C@H](CC(C)(C)C(N)=O)C2)c1	296355079	IKVLGHKHPZECKN-LSDHHAIUSA-N	318.461	3.375	10	20	DGCD	
COc1ccc(CNC(=O)[C@H]2C[C@H]2c2sccc2C)c(O)c1	366543038	ZDVXPFIYWUWFCK-KGLIPLIRSA-N	317.410	3.191	10	20	DGCD	
Cc1onc(-c2cccnc2)c1C(=O)N1CCc2ccccc21	367566842	SNEPQELMZHJRCA-UHFFFAOYSA-N	305.337	3.248	10	20	DGCD	
CO[C@H](C1CC1)[C@@H](C)NCc1cccc(Br)c1O	388204392	CPNVWVHNSULXRF-OTYXRUKQSA-N	314.223	3.058	10	20	DGCD	
CCNC(=O)c1ccc(NCc2cc(OC)ccc2O)c(C)c1	390999064	PXLCBYQLGNUWQJ-UHFFFAOYSA-N	314.385	3.071	10	20	DGCD	
Cc1ccc(O)c(CN[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1	701856659	VQAIPOPOQCCSEQ-SFHVURJKSA-N	320.433	3.190	10	20	DGCD	
C[C@H]1C[C@@H](NCc2c(O)cccc2Br)CS1	706872011	BOTHUCYTMRRFLX-DTWKUNHWSA-N	302.237	3.138	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCCc3cccc(Cl)c32)cn1	726367923	KKKYJWMAZAXPLC-FPLPWBNLSA-N	301.777	3.066	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1	728792379	KRIUSBBPXJKZGX-YXMPFFBPSA-N	320.458	3.115	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2c3ccccc3C[C@@H]2C)cc1	739922921	RCBJTRNVOVNZEQ-HNNXBMFYSA-N	324.424	3.499	10	20	DGCD	
O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1cc(O)cs1	740928578	OWAMEPYQZPLQQL-UHFFFAOYSA-N	313.382	3.214	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)c1cn[nH]c1	748387885	QPONRDGEABHLHZ-UHFFFAOYSA-N	300.387	3.155	10	20	DGCD	
CO[C@H](C)CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	749565475	RQDPYDDPFRRTDA-OAHLLOKOSA-N	314.429	3.178	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2nnc(C)o2)c1	749574267	SEYFFOAHTBMBPZ-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H]2C[C@@H](C)N(C3CC3)C2)c2c(O)ccc(F)c21	756640101	IRUPUQUBAOJXII-BLTAXRJOSA-N	304.409	3.294	10	20	DGCD	
CCO[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)C(C)C	760474259	MCEWODKPRDGTBO-GOSISDBHSA-N	318.461	3.136	10	20	DGCD	
CO[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1	772992766	AOTKCCPVLZAKKV-KBXCAEBGSA-N	312.413	3.318	10	20	DGCD	
Cc1nn(C)c(Cl)c1CN[C@@H](C)c1ccc(N(C)C)cc1	775835523	UCIKHDAGKNRPHJ-NSHDSACASA-N	306.841	3.299	10	20	DGCD	
CCNc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cs1	776269618	LQHILUWVXCVVNU-LLVKDONJSA-N	318.446	3.132	10	20	DGCD	
COCC[C@H](Cc1ccco1)NCc1cc(C)c(C)cc1O	784625732	MXTYFIYQSHGTFX-MRXNPFEDSA-N	303.402	3.339	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)COc1ccc(N(C)C)cc1	786876301	KWSWXNPTIQQANP-PBHICJAKSA-N	304.434	3.169	10	20	DGCD	
CN(C)c1ccc(CN2CCCN2C(=O)OC(C)(C)C)cc1	788841745	XUWHRSYPJXLRFM-UHFFFAOYSA-N	305.422	3.110	10	20	DGCD	
CC[C@@H](NCC(=O)NCc1ccccc1)c1ccc(C)cc1O	794804003	LIEKDDAXPFMKFO-QGZVFWFLSA-N	312.413	3.058	10	20	DGCD	
C[C@H]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1	798512239	GCEPPNLVRWKPRR-HOCLYGCPSA-N	303.450	3.330	10	20	DGCD	
COCCCCC(=O)NCc1cc(Cl)cc(Cl)c1O	807839981	OHGFMGGYUUXTTM-UHFFFAOYSA-N	306.189	3.132	10	20	DGCD	
CNC(=O)C1CCC(N[C@H](C)c2cc(Cl)cc(C)c2O)CC1	808684489	PCCMOOGNRPHHJJ-LKSINWNRSA-N	324.852	3.309	10	20	DGCD	
CC[C@@H](CNC(=O)c1sccc1-n1c(C)ccc1C)OC	812367580	GVHQXYDQLDLRGE-ZDUSSCGKSA-N	306.431	3.310	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](N3CCCC3)C2)ccc1N(C)C	815018065	FCIGICFJAJDPJS-GOSISDBHSA-N	301.478	3.121	10	20	DGCD	
CCc1nc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1	816180705	YZLMZRBDTKEVFJ-LLVKDONJSA-N	301.390	3.102	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)OC3CCOCC3)cc12	817151961	IIFCZINSGGVKFQ-UHFFFAOYSA-N	303.358	3.490	10	20	DGCD	
COC1([C@H](C)N[C@H](C)c2ccc(Cl)cc2O)CCOCC1	817588401	ORLMWRUALIYNEV-NEPJUHHUSA-N	313.825	3.280	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCO1	823986249	IQDXLJVQAKNHQA-NHYWBVRUSA-N	311.809	3.113	10	20	DGCD	
C[C@@H](NC(=O)C1(c2cccnc2)CCCC1)c1ccccc1O	827946494	KAHVNRBFCAPEFZ-CQSZACIVSA-N	310.397	3.476	10	20	DGCD	
CC[C@@H](CO)N(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	833336953	KOMFDOCBOAZAQM-HNNXBMFYSA-N	318.392	3.076	10	20	DGCD	
CCO[C@@H]1COC[C@H]1N[C@H](C)c1cc(Cl)c(Cl)cc1O	834905233	USLFBSBJAGMGHQ-IHPUGEDLSA-N	320.216	3.154	10	20	DGCD	
CC(C)(C)C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	841956164	XEQPNJOKVKUNCD-HNNXBMFYSA-N	303.450	3.279	10	20	DGCD	
C[C@]1(c2nc(Cc3ccc(N)cc3)no2)CCc2ccccc21	843159714	AHDUIPTZCGBKOJ-IBGZPJMESA-N	305.381	3.495	10	20	DGCD	
CN(CC(=O)NC1CCCC1)c1ccc(-c2nccs2)cc1	846991444	KCYLTLDLFDRUBN-UHFFFAOYSA-N	315.442	3.305	10	20	DGCD	
COc1cc(CNC[C@@H]2CCCCO2)c(O)c(C(C)(C)C)c1	850077719	PYFLAQXFUXCGTK-AWEZNQCLSA-N	307.434	3.357	10	20	DGCD	
CC(C)CC1(NCc2ccc(N3CCOCC3)c(F)c2)CC1	850405041	ZMRMTBMZLRAHTK-UHFFFAOYSA-N	306.425	3.331	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCCC2CCC2)c1	852584957	VLQGVDFBVQPKKB-LBPRGKRZSA-N	306.406	3.341	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1	862756907	AEGIGFLDISBZMS-WMLDXEAASA-N	305.418	3.158	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@H](CC(=O)O)C(C)(C)C)cc1F	864510577	XGIBKPGMWVFTFJ-CQSZACIVSA-N	314.376	3.010	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1	865752702	ANXZJSBAHHONSB-HUUCEWRRSA-N	314.351	3.204	10	20	DGCD	
CCCOc1ccc(CNC[C@H]2CCCN(C(C)=O)C2)cc1C	873117178	BYIZAQVEPAVQLN-GOSISDBHSA-N	318.461	3.132	10	20	DGCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)CC1CCCC1	876654029	WZHQZCXTWOCPAV-UHFFFAOYSA-N	302.462	3.270	10	20	DGCD	
CCC1(NCc2ccc(N3CCC(O)CC3)cc2)CCCC1	877561653	ITWYAWLVDQUCST-UHFFFAOYSA-N	302.462	3.460	10	20	DGCD	
Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nc(C)n1	880303457	ODNFEAYBKPJLOS-LBPRGKRZSA-N	313.405	3.042	10	20	DGCD	
COc1ccccc1O[C@H](C)CNCc1cc(F)cc(F)c1O	883019790	CSDCGNASFKUHKL-LLVKDONJSA-N	323.339	3.236	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCCCc2ccc([N+](=O)[O-])cc21	912653753	UMNPYASLJRWRHY-UHFFFAOYSA-N	318.354	3.345	10	20	DGCD	
Cc1nnc(O)c(CN[C@H](C)c2cc(Cl)ccc2O)c1C	1320132397	WYDQMNJSGFWYQZ-SNVBAGLBSA-N	307.781	3.009	10	20	DGCD	
O[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C12CCCC2	1326327287	OSNIKMWJTLVMSO-GOSISDBHSA-N	300.446	3.166	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1CC[C@@H](C)[C@H](C)C1	1352321146	NSWHWSYHAKSQFU-GHMZBOCLSA-N	306.435	3.214	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1oc(CN)cc1C	1577458121	VERPUYYZENLJDC-UHFFFAOYSA-N	316.401	3.195	10	20	DGCD	
O=C(O)CN(Cc1ccc(Cl)cc1)Cc1ccccc1O	1602059526	VIONVWBZBZCSKD-UHFFFAOYSA-N	305.761	3.132	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@H]32)cc1	1776861187	MNZPRTTZQROJLQ-CWLKWCNXSA-N	316.445	3.122	10	20	DGCD	
Cc1cc(Cl)ccc1NC(=O)CN(C)Cc1ccccc1O	109769960	WTKPKTAAIDXUBJ-UHFFFAOYSA-N	318.804	3.425	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1ccc(C2OCCO2)cc1	114216763	WNOLCOXAUAHKLT-UHFFFAOYSA-N	319.788	3.381	10	20	DGCD	
CCOC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1	302462201	VKHKYPSNHMVSEC-CYBMUJFWSA-N	313.401	3.497	10	20	DGCD	
Cc1ccc(O)c(CN(C)CC(=O)Nc2cccc(Cl)c2)c1	180114774	VNIWUMWHEFILIN-UHFFFAOYSA-N	318.804	3.425	10	20	DGCD	
O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccc(O)c1O	186801276	HIHQWTJDRQSTRY-LBPRGKRZSA-N	319.357	3.204	10	20	DGCD	
COc1ccc(-n2ccc(CN[C@@H](C)c3ccccc3O)n2)cc1	183492583	ZAHYCOQFWBNNPC-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
C[C@@H](NCCc1cccnc1)c1ccc(Br)cc1O	184980608	UYEDXWSTLRFUGU-LLVKDONJSA-N	321.218	3.443	10	20	DGCD	
C[C@@H](NCCC1(C)OCCO1)c1cc2c(cc1O)CCCC2	183895803	QVTZRCOAWNRMTJ-CYBMUJFWSA-N	305.418	3.075	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NC1C[C@@H]2CC[C@H](C1)N2C	322553600	BPUNGLOXQYPGPE-IXIBIKRGSA-N	300.446	3.464	10	20	DGCD	
COCC(C)(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	132581431	FOMNDACQIIZQTA-UHFFFAOYSA-N	318.461	3.212	10	20	DGCD	
C[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1O	191193808	TXGCWQURTGLOLX-XPTSAGLGSA-N	311.303	3.194	10	20	DGCD	
Cc1cc(Br)cc(CNC2CC(F)(F)C2)c1O	277304477	BHLOSZLFLQQFOX-UHFFFAOYSA-N	306.150	3.350	10	20	DGCD	
Cn1ccnc1[C@@H]1CCN(Cc2c(O)ccc3ccccc23)C1	372880758	LECIEJSRWNUTRU-OAHLLOKOSA-N	307.397	3.268	10	20	DGCD	
CO[C@@H]1Cc2ccccc2N(Cc2c[nH]nc2-c2cccnc2)C1	282264170	CAWOQBOJTBCUNJ-QGZVFWFLSA-N	320.396	3.049	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCSC1	288066678	SZLUFBXLESISRR-OAHLLOKOSA-N	321.490	3.037	10	20	DGCD	
C[S@](=O)C1(CNCc2ccc(N3CCCCC3)cc2)CCC1	280535708	CLAHYPHERYEUNE-QFIPXVFZSA-N	320.502	3.068	10	20	DGCD	
COc1ccc([C@H](CN(C)C)N[C@@H](C)c2ccccc2O)cc1	284241356	FCOVWOLSLLVQHB-KSSFIOAISA-N	314.429	3.354	10	20	DGCD	
C[C@@H](N[C@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1O	285724454	QIDGRCZPAVYUMX-RKDXNWHRSA-N	323.299	3.385	10	20	DGCD	
CCCCN(CCCO)Cc1cc(Br)ccc1O	809751806	KCIIEIVJKZPHML-UHFFFAOYSA-N	316.239	3.139	10	20	DGCD	
COc1ccc(CN[C@H]2CCc3cccc(O)c32)cc1[N+](=O)[O-]	297634540	JJVAVKVLQNRJFQ-ZDUSSCGKSA-N	314.341	3.086	10	20	DGCD	
C[C@@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])[C@H](C)[C@@H]1C	399580090	HQZRKJYFTRWZTA-BETACJJHSA-N	304.346	3.173	10	20	DGCD	
CC(=O)c1cc(N(C)Cc2ccccc2O)ccc1[N+](=O)[O-]	804577658	GWVAAKIKTCLAMD-UHFFFAOYSA-N	300.314	3.139	10	20	DGCD	
CCn1ncnc1CN1C[C@H](C(C)C)Cc2cc(OC)ccc21	817299170	WEIRUBIMPSBSBC-OAHLLOKOSA-N	314.433	3.142	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](C2CCCC2)C1	817636846	TZYPLKDCBOFVJW-PMGBHYCQSA-N	301.386	3.150	10	20	DGCD	
CNC(=O)c1ccc(CNCc2ccc3ccccc3c2O)cc1	816534788	UURWRDKJPJEEJW-UHFFFAOYSA-N	320.392	3.195	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2cccnc21	819824861	NQTZBLQQAFDFRC-SFHVURJKSA-N	323.440	3.226	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(CN)nc1C	817895708	ZPVCFOCGDWRVQS-CQSZACIVSA-N	312.461	3.074	10	20	DGCD	
C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1ccccc1O	817412427	KYLFNLAHHLOWRH-HIFRSBDPSA-N	305.418	3.334	10	20	DGCD	
CC(C)(C)N1CC[C@H](NCc2cc(Cl)cc(F)c2O)C1	826867949	NOYKSSCZRVPQAZ-LBPRGKRZSA-N	300.805	3.147	10	20	DGCD	
CCOc1cccc(CNC[C@](C)(OC)c2ccccc2)c1O	824780290	JOKYJXXISOUWLF-IBGZPJMESA-N	315.413	3.442	10	20	DGCD	
CC[C@H](CC(F)(F)F)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	828884361	AIQREVDXKCPABK-MWLCHTKSSA-N	319.323	3.124	10	20	DGCD	
CCOc1ccc(CN(C)[C@@H]2C[C@@H](OC)C23CCC3)c(O)c1	825104178	QEQXVQFTPDDVNC-IAGOWNOFSA-N	305.418	3.180	10	20	DGCD	
Cc1cc(O)c(CNc2ccc(C3(O)COC3)cc2)cc1Cl	825939613	DCHCTPPLMGLNDO-UHFFFAOYSA-N	319.788	3.184	10	20	DGCD	
Oc1cccc(Cl)c1CN[C@@H]1CCO[C@H](c2ccncc2)C1	824954481	QQKMFNWHKSQJDR-DYVFJYSZSA-N	318.804	3.451	10	20	DGCD	
CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccccc3O)cnc21	827923734	YHICQPPPNMCDFF-GFCCVEGCSA-N	324.384	3.209	10	20	DGCD	
Cc1noc([C@@H]2CCCN(Cc3cc(Cl)c(C)cc3O)C2)n1	824593970	WKPLFHUXICDAEC-GFCCVEGCSA-N	321.808	3.425	10	20	DGCD	
C/C(=C/C(=O)N(C)c1ccc(OC(C)C)cc1)c1cnccn1	831115722	LFFVLFXXZXSVEW-KAMYIIQDSA-N	311.385	3.330	10	20	DGCD	
CC[C@H]1CN(Cc2c(O)ccc3ccncc23)[C@H](CC)CO1	844724978	GFUOBCNYTUXLTL-CABCVRRESA-N	300.402	3.330	10	20	DGCD	
CC1CCN([C@@H](CNC(=O)Nc2ccc(N)cc2)C(C)C)CC1	841301837	FNOGARGOHOOLNY-KRWDZBQOSA-N	318.465	3.147	10	20	DGCD	
Cc1ccc(CNC(=N)NCc2ccc(N(C)C)cc2C)cc1	849009249	ONZYKIGCJGNLQA-UHFFFAOYSA-N	310.445	3.184	10	20	DGCD	
CCN(CC(=O)Nc1cc(F)ccc1F)c1ccc(OC)cc1	746109248	NCAPIULBLREKEV-UHFFFAOYSA-N	320.339	3.438	10	20	DGCD	
CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccncc1	742372505	OGPULMPJVGXGAE-IBGZPJMESA-N	311.429	3.159	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](CCN(C)C)C(C)(C)C)c1O	846142711	CCCWKOMFITVRIE-CJNGLKHVSA-N	308.466	3.418	10	20	DGCD	
CNCCC1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	843363492	NDJBGNNFFJQLAW-UHFFFAOYSA-N	324.852	3.070	10	20	DGCD	
COc1cc(O)c(CNC[C@H]2CCC[C@H]2C2CC2)cc1OC	840954720	MSQCGOCRZUKMCO-HIFRSBDPSA-N	305.418	3.325	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]1C	840480555	WXNSHCZFFFMUNR-GJZGRUSLSA-N	303.450	3.186	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cnc(C2CC2)nc1	840977115	RLTXBCBKHSCITD-HNNXBMFYSA-N	324.472	3.449	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H]2CCN(CC(F)F)C2)cc1	841764937	JWLVAZMFYYFSLG-ZFWWWQNUSA-N	311.420	3.133	10	20	DGCD	
c1ccc([C@H]2C[C@H](NCc3ccc4c(c3)CCCO4)CCO2)nc1	922162538	OLKKUMFJXVBLET-YLJYHZDGSA-N	324.424	3.417	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H](C(=O)N2CCCC2)C(C)C)c(O)c1C	756708357	BUDDKKKUHDJIFD-WBVHZDCISA-N	318.461	3.307	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCc2sccc2C)c1	756788960	ZLBJWKVRYPMKSV-LBPRGKRZSA-N	319.426	3.442	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)CCO1	858156851	SGDXQHNXCVJXEL-GUYCJALGSA-N	312.404	3.324	10	20	DGCD	
CC(C)Oc1cccc(C(=O)NCc2cc(Cl)ccc2O)n1	857547501	HKTZJDZWTMBOQH-UHFFFAOYSA-N	320.776	3.158	10	20	DGCD	
COc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1F	757851032	BKRIPFPZZZRIPY-HEHGZKQESA-N	322.424	3.211	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C1CCC(C(=O)O)CC1	851692912	VPQIOEKTSNGARL-UHFFFAOYSA-N	319.401	3.022	10	20	DGCD	
CCc1cccc(CNc2ccccc2SCC(N)=O)c1O	864025986	NVZUIXHGENVZHE-UHFFFAOYSA-N	316.426	3.144	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1	773732205	ZKLOLBIDKWXSQR-KRWDZBQOSA-N	312.461	3.256	10	20	DGCD	
COC[C@@H](C)N[C@@H](C)c1cc(Br)cc(C)c1O	779001425	RQKQAEAJMKKXLA-ZJUUUORDSA-N	302.212	3.149	10	20	DGCD	
C[C@@H](Cc1ccncc1)NCc1cc(F)c(N(C)C)cc1F	1118801332	OCSHNAKHKYIFCW-LBPRGKRZSA-N	305.372	3.147	10	20	DGCD	
COc1cccc2c1O[C@H](c1ccc(N3CCCC3)cc1)NC2=O	1115862528	VTMGLFUFAPJPCJ-LJQANCHMSA-N	324.380	3.116	10	20	DGCD	
C[C@@H](CNCc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C	771854066	PYJBHFOYBKNOBC-INIZCTEOSA-N	303.494	3.210	10	20	DGCD	
Cn1c(CNCc2cccc(Cl)c2O)nc2cc(F)ccc21	776213736	GFZQZBKXFCOQID-UHFFFAOYSA-N	319.767	3.361	10	20	DGCD	
CCOC(=O)[C@@H](CC(C)C)N[C@@H](C)c1ccc(N(C)C)cc1	774481216	HQWQFFDABNHYEO-WMLDXEAASA-N	306.450	3.381	10	20	DGCD	
C[C@H](NC(=O)Cc1noc2ccccc12)c1ccc(N(C)C)cc1	773018197	IFOQPJKWLJNXQK-ZDUSSCGKSA-N	323.396	3.314	10	20	DGCD	
Cc1cccc(C[C@H](CO)N[C@H](C)c2c(O)cccc2F)c1	886596535	HOCDMLQXECUSJM-UKRRQHHQSA-N	303.377	3.094	10	20	DGCD	
Cc1ccnc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)n1	788479371	XHMGCDYBPSDBFR-UHFFFAOYSA-N	303.325	3.293	10	20	DGCD	
CCN1CCCN(Cc2cc(-c3ccccc3)ccc2O)CC1=O	787418630	YYRUNBOPWPRFBU-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
COCC1(CNCc2ccc(OC)c(OC)c2O)CCCCC1	894555340	USNUKPVROVUNEQ-UHFFFAOYSA-N	323.433	3.096	10	20	DGCD	
c1cc2c(cc1CNCCOC1CCSCC1)CCCO2	898433805	BVMSUFDYGZLLAE-UHFFFAOYSA-N	307.459	3.013	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1	795715717	DWVILKPXIDRVPU-HNNXBMFYSA-N	317.351	3.288	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCCCC2(C)C)c(O)c1	792998936	VIAJJTXOFFTRQC-OAHLLOKOSA-N	306.406	3.169	10	20	DGCD	
CCC1(C(=O)NCCNCc2ccc(OC)c(C)c2)CCCC1	1146256477	XDAJCDKGIFTFOC-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c(O)c1	796629708	IUBKJIYPCPSNPU-MCIONIFRSA-N	320.433	3.272	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCN(Cc2ccccc2)C1	708419365	BWFKVKMTARKAKU-MRXNPFEDSA-N	318.367	3.035	10	20	DGCD	
CC[C@@H](C)N(CC(=O)OC)Cc1ccc(N2CCCC2)cc1	1321186485	BAIRUTMQNGQTSR-OAHLLOKOSA-N	304.434	3.060	10	20	DGCD	
CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCC2)cc1	1337042817	SMUULXJABLAQNB-OAHLLOKOSA-N	304.434	3.059	10	20	DGCD	
CN(C)c1cccc(Cl)c1CNCCc1ccc(N)cc1	1348516016	RRLOHSJCLWPEDN-UHFFFAOYSA-N	303.837	3.321	10	20	DGCD	
CC[C@@H](N[C@@H]1CC[C@H](CC(=O)O)C1)c1ccc(N(C)C)cc1	1595317079	MNAGLQXAOIELEE-YSVLISHTSA-N	304.434	3.437	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](CC(C)(C)C)C(=O)O)c1O	1599420688	OZNFDLFGOIYEKP-NSHDSACASA-N	315.797	3.033	10	20	DGCD	
Cc1ccc(OCC(=O)NCc2ccc(N(C)C)cc2)c(C)c1	15134821	BLAALGKERHNZAO-UHFFFAOYSA-N	312.413	3.065	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1csc(C2CC2)n1	163191586	ZVYMKAVKQYSZOP-UHFFFAOYSA-N	315.442	3.486	10	20	DGCD	
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C)c1	3076375	KDRUYGHTIBRMSV-UHFFFAOYSA-N	305.399	3.427	10	20	DGCD	
CO[C@H](C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1	67299334	LYFDFEPXIAMZSW-CQSZACIVSA-N	304.434	3.107	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@H]2C2CC2)cc1	89972507	HTMCSQAUKHMIIX-LJQANCHMSA-N	324.424	3.345	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3ncccc3c2)c1	103529117	RAPRJDKYQIYJNF-GFCCVEGCSA-N	322.364	3.440	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@]1(O)CCCc2ccccc21	113340302	KTEAVQRZYIYETC-GOSISDBHSA-N	317.816	3.359	10	20	DGCD	
O=C(/C=C/c1ccc(O)cc1)NCCCSc1nccs1	125224274	UEILXYBGEJFINZ-QPJJXVBHSA-N	320.439	3.161	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCCC1Cc2ccccc2C1	127275722	JFLVIQGDYLKWHC-UHFFFAOYSA-N	324.424	3.339	10	20	DGCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)[C@H](c2ccccc2)CO1	180198920	XSUDRRDKMNUFOU-DYVFJYSZSA-N	301.361	3.493	10	20	DGCD	
CC(C)OCCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	181940205	VUYQDFCIGMXUEU-UHFFFAOYSA-N	321.465	3.099	10	20	DGCD	
COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc(C)c(O)c1O	182118932	DJAOFKRZYTVJDO-JTQLQIEISA-N	319.332	3.045	10	20	DGCD	
CCC(CC)[C@H](CN[C@@H](C)c1ccccc1O)N1CCOCC1	183406635	DREGTUQBPUZIAD-YJBOKZPZSA-N	320.477	3.180	10	20	DGCD	
C[C@@H](NCc1nnc2n1CCCC2)c1ccc2ccccc2c1O	183845624	FFFQKBUUTBGKCN-CYBMUJFWSA-N	322.412	3.324	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(F)cc1O	185350584	YXQFBZDFCINDKU-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
CC[C@@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1O	189999063	SHTGTISOAGFANH-GXTWGEPZSA-N	308.422	3.346	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCCOC2)cc1F	193206097	OSWJTPHMTWLHFT-HNNXBMFYSA-N	322.424	3.105	10	20	DGCD	
Cc1cccc(N2CCN(C(=O)Nc3ccc(N)cc3)CC2)c1C	217313669	WDUKJYJXKHIQPZ-UHFFFAOYSA-N	324.428	3.240	10	20	DGCD	
C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(F)cc1O	227689466	OZIQXJSTGMAOHJ-QWRGUYRKSA-N	312.385	3.095	10	20	DGCD	
CCCCO[C@H]1C[C@H](NCc2ccc(OC)cc2O)C1(C)C	236866341	SXGIUKFTJVRVGH-IRXDYDNUSA-N	307.434	3.474	10	20	DGCD	
Nc1ccc(CC(=O)NCCCSc2ccc(F)cc2)cc1	238112175	FQDMUWKTGXAADK-UHFFFAOYSA-N	318.417	3.249	10	20	DGCD	
CC[C@@H]1CN(Cc2cccc(Br)c2O)C[C@@H](C)O1	245560169	MLRFBAJCIZFPNH-ZYHUDNBSSA-N	314.223	3.154	10	20	DGCD	
Cc1cc(O)c(CNCc2nnc(C(C)(C)C)s2)cc1C	268162529	DWRFASYWJRLPCY-UHFFFAOYSA-N	305.447	3.448	10	20	DGCD	
CC/C=C(\C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	269849094	TVSHGTMIMHNTCP-SNQWNFELSA-N	303.402	3.256	10	20	DGCD	
COc1cc(F)cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1	273459254	HSXGBFGYDUWUKM-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@]2(N(C)C)CCSC2)c(O)c1C	273467878	FCGUOKZOLNZVSO-PBHICJAKSA-N	308.491	3.097	10	20	DGCD	
Cc1ccc([C@H](C)NCCC(=O)N2CCCCCC2)c(O)c1C	273619877	YRGWXBIBOZQDDT-INIZCTEOSA-N	318.461	3.452	10	20	DGCD	
C[C@H](NC[C@@H](O)CCc1ccccc1)c1ccc(F)c(F)c1O	276904115	JMNAULHAZZTKPP-JSGCOSHPSA-N	321.367	3.315	10	20	DGCD	
COc1ccc(CC[C@@H](C)NCc2ccccc2O)cc1O	277260168	QKKBBYSWWJEZBE-CYBMUJFWSA-N	301.386	3.217	10	20	DGCD	
CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F	278257738	XVQCDJPBLMWPNZ-ISBBGBLXSA-N	317.307	3.204	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1c(F)ccc(O)c1F	280085906	RYNHBZDZAQNDNH-WQLSENKSSA-N	324.352	3.127	10	20	DGCD	
CC(C)SCCN(C)Cc1ccc(N2CCOCC2)cc1	283336767	ANCDPKNZMSNECR-UHFFFAOYSA-N	308.491	3.097	10	20	DGCD	
COc1cc(Cl)cc(CN2C[C@H](CO)c3ccccc32)c1O	293941537	OIRIOLODTMRPHO-GFCCVEGCSA-N	319.788	3.150	10	20	DGCD	
COC1CCN(c2ccc(CN3C[C@@H](C)[C@H](C)C3)cc2)CC1	295032123	NCWPCPSZDUBZHQ-HZPDHXFCSA-N	302.462	3.390	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](c2ccccc2)c2cnn(C)c2)c1	374609289	FSGDRYGLJVCRRF-LJQANCHMSA-N	307.397	3.313	10	20	DGCD	
O=C(NCc1ccccc1O)c1cscc1Br	404943262	MXLDMLLPKBDURA-UHFFFAOYSA-N	312.188	3.146	10	20	DGCD	
CCC[C@H](NCc1c(C)c2ccccc2n1C)C(=O)OCC	481569113	DCJMOUHKCUUBBL-HNNXBMFYSA-N	302.418	3.308	10	20	DGCD	
Cc1cc(Br)cc(CNCc2cccnc2C)c1O	529663607	YAKURRVTAGREDA-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
CC[C@@]1(C)COCCN1Cc1cccc(Br)c1O	687972790	IHPVSPLAUSWITC-AWEZNQCLSA-N	314.223	3.156	10	20	DGCD	
COc1cc(Cl)ccc1CNC(=O)NCc1ccccc1O	730907687	MVMSTZIUQBKWOH-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
Cc1nc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1	733126094	QZHAIFYLIAJKOZ-UHFFFAOYSA-N	317.458	3.109	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N[C@@H]2CCCC[C@H]2C)cc1	739926604	IJSMXBSOGKRPSI-RHSMWYFYSA-N	304.434	3.216	10	20	DGCD	
CCOc1ccc(CN[C@H](C)[C@H](O)c2cccc(F)c2)c(O)c1	749114607	FTKZPNAQOYUZHN-XIKOKIGWSA-N	319.376	3.142	10	20	DGCD	
COc1cccnc1NC(=O)c1cc(C)n(-c2ccccn2)c1C	749269886	MFCUNLFBDLHWHB-UHFFFAOYSA-N	322.368	3.145	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)C(C)(C)C)cc1	753664810	RWFFSQULWRPUQQ-QGZVFWFLSA-N	314.429	3.231	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CO)c2ccccc2C)c1	756635833	HRVXHPBRWMEZRH-DYVFJYSZSA-N	301.386	3.093	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](CO)[C@@H](C)c2ccccc2)c1	756711477	LCWXJEPPUDWCLD-SUNYJGFJSA-N	315.413	3.216	10	20	DGCD	
CCOC(=O)[C@H](CC)N(C)Cc1ccc(N2CCCCC2)cc1	764141320	YRZZAZILOQGHNW-SFHVURJKSA-N	318.461	3.450	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2cc[nH]c2n1	779538360	VOKQKYNIOIDOCU-UHFFFAOYSA-N	321.380	3.077	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)c(O)c1O	780968791	KIQARAJGMSJOJK-HNNXBMFYSA-N	313.353	3.089	10	20	DGCD	
CC[C@@H](NCc1cccn(CC)c1=O)c1ccc(N(C)C)cc1	788607112	IACOAWKLOSCQOX-GOSISDBHSA-N	313.445	3.175	10	20	DGCD	
Cc1ccccc1-c1cc(NC(=O)c2cccc(O)c2O)n[nH]1	790598044	IOEOXYYQHURFIB-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNC1CCN(C2CCC2)CC1	790962283	KIDDJWPRNUMBTO-UHFFFAOYSA-N	312.816	3.291	10	20	DGCD	
OCC[C@@H](Cc1ccccc1)NCc1c(O)cccc1Cl	799351026	ZVIQMPQFLZIVHO-AWEZNQCLSA-N	305.805	3.129	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)N[C@H](C)CC	801598171	WOONZYLKLBJXSM-HUUCEWRRSA-N	306.450	3.298	10	20	DGCD	
COC(=O)c1cccc(CNCc2cc(Cl)cc(F)c2O)c1	809729373	GADSRNWDXRKEGO-UHFFFAOYSA-N	323.751	3.261	10	20	DGCD	
CC[C@@H](NCCc1nccnc1C)c1cc(Cl)ccc1O	815651136	KYFNTOITJYNGAD-CQSZACIVSA-N	305.809	3.427	10	20	DGCD	
CCCNC(=O)CN(CCC)Cc1ccc2ccccc2c1O	816494352	IAVFEEHPDADWDT-UHFFFAOYSA-N	314.429	3.284	10	20	DGCD	
CN(C)c1ccc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1F	816665982	BHWGZONPNIWUKC-ZWKOTPCHSA-N	304.409	3.035	10	20	DGCD	
COc1ccc(CC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)nc1	817760451	BTAXFKXQSHVEET-UHFFFAOYSA-N	324.380	3.347	10	20	DGCD	
C[C@H](N[C@@H]1CC12CCNCC2)c1ccc(N2CCCCC2)cc1	817976367	KRVAEWKAZOTSGJ-QFBILLFUSA-N	313.489	3.470	10	20	DGCD	
CCn1nnc(C)c1CN(Cc1ccc(N(C)C)cc1)C(C)C	823404319	OWLXNTYHDHVWIH-UHFFFAOYSA-N	315.465	3.083	10	20	DGCD	
CCOc1ccc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c(O)c1	830074935	AJJJYQSEDJLFAO-RCBQFDQVSA-N	319.401	3.009	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](F)C3)cc2)CC1	836290345	YFXJMIBACWAFJS-MRXNPFEDSA-N	319.424	3.176	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1nc(C)c(C)[nH]1	850326753	CRKPTSDXWDTHRL-CYBMUJFWSA-N	300.450	3.122	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(F)cc1O	850500666	GEFDUHNTRAYYPY-HGYXMXBYSA-N	313.438	3.262	10	20	DGCD	
O=C(c1cc(O)cs1)N1C[C@H]2CCCCN2c2ccccc21	854665984	KNBVXBFXSRYBND-GFCCVEGCSA-N	314.410	3.473	10	20	DGCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCCF)cc1	857583890	FYOWVBYZWISTIA-UHFFFAOYSA-N	320.330	3.393	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2ccc(N(C)C)c(C)c2)c1	860422307	LKTQOXACWSHGDC-UHFFFAOYSA-N	313.401	3.397	10	20	DGCD	
CCC(CC)n1ccc(C(=O)NCc2cc(C)ccc2O)n1	862758416	YGEPEZMKCUBPHB-UHFFFAOYSA-N	301.390	3.188	10	20	DGCD	
CCC(C)(C)[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)O	864517843	ZOOHJGXMCBFHPA-AWEZNQCLSA-N	314.376	3.010	10	20	DGCD	
Cn1nc(CNCc2ccc(N3CCCC3)cc2)c2ccccc21	1321049560	UYABZSHKCMTCDG-UHFFFAOYSA-N	320.440	3.463	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)NC3(C)CC3)ccc21	1322987935	DBRRMFFEAWHAJD-UHFFFAOYSA-N	300.402	3.187	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)n1cccc1	1327341384	OECPFPWGTLSWIA-CVEARBPZSA-N	313.445	3.171	10	20	DGCD	
CCc1cccc(CN2C[C@@H](C(=O)O)Cc3ccccc32)c1O	1597586489	DZKVHYGRYMPKBI-INIZCTEOSA-N	311.381	3.218	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cc(C(=O)O)oc1C	1599628438	RTWJGMOFZGQHCL-UHFFFAOYSA-N	301.342	3.248	10	20	DGCD	
Cc1ccc(/C=C\C(=O)N2CCCc3ccc(C(=O)O)cc32)cn1	1600398418	PYKSNYFQXUAFJH-TWGQIWQCSA-N	322.364	3.081	10	20	DGCD	
C[C@@H]1[C@H](CC(=O)O)CC[C@H]1NCc1ccc(N2CCCC2)cc1	1609839051	HJHAYZBKHAWMCS-UWWQBHOKSA-N	316.445	3.266	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CC[C@H]3C[C@@H]32)cc1F	1776861123	AJAFLGYXVZYIHS-SUNYJGFJSA-N	320.408	3.015	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1nc(C)ccc1C(=O)O	1776868067	DMJGSPNCYRSEIH-UHFFFAOYSA-N	313.401	3.181	10	20	DGCD	
CC[C@H](C)[C@@H](CC(=O)O)NCc1cc(F)c(N(C)C)cc1F	1776953732	MFNWQWVYSKJDBF-IINYFYTJSA-N	314.376	3.010	10	20	DGCD	
Cc1ccc(C[C@H](Sc2ncc([N+](=O)[O-])s2)C(=O)O)cc1	1777437542	QMEKSHKLMQVPKK-JTQLQIEISA-N	324.383	3.148	10	20	DGCD	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cccnc1	7586191	NYMGJOZPVRXKFG-JYRVWZFOSA-N	309.394	3.414	10	20	DGCD	
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N(C)Cc1ccccc1O	111235926	OUVNTVASHQBXAA-LSDHHAIUSA-N	324.424	3.190	10	20	DGCD	
C[C@H](NCCC(=O)N(C)C)c1ccc(N2CCCCCC2)cc1	178294588	DAOGXFMBGLUEPH-INIZCTEOSA-N	317.477	3.196	10	20	DGCD	
C[C@@H]1CCC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1	31731401	RRSKXKFLGWKHER-PBHICJAKSA-N	303.450	3.473	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1c(C)n[nH]c1C	183551448	ZMRFLQAAWBBJIM-GFCCVEGCSA-N	315.417	3.274	10	20	DGCD	
CC[C@@H]1CCC[C@H](NC(=O)NCc2cccc(OC)c2O)C1	74416082	BDSHPYJJQOLSOS-OCCSQVGLSA-N	306.406	3.169	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)c2ccc(Cl)cc2)c1	182410359	YQIGUIKVXOLDKE-APPDUMDISA-N	321.804	3.438	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2cnco2)cc1	180675737	IIKZXHFPLIAXTI-KRXBUXKQSA-N	322.320	3.405	10	20	DGCD	
Cc1ocnc1CNC(=O)c1sccc1-n1c(C)ccc1C	134458038	FLMOMSWPNVSMBJ-UHFFFAOYSA-N	315.398	3.382	10	20	DGCD	
CCc1onc(C)c1NC(=O)N[C@H](C)c1cc(OC)ccc1O	89418551	AYIJBFKOGOHRSS-SECBINFHSA-N	319.361	3.142	10	20	DGCD	
COc1cccc(CNc2ncc(C)cc2Br)c1O	194316455	GCLCJFMRTGXHSM-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@@H]3CCCO3)c2C)c1	46467316	QLBVYISFUDIVHN-KRWDZBQOSA-N	312.413	3.311	10	20	DGCD	
Cc1nnnn1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1	255061856	HPMFRSCBGOWICU-UHFFFAOYSA-N	321.344	3.036	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CCn1cc(Cl)cn1	269169199	QZIVJDYWROVCLR-UHFFFAOYSA-N	321.808	3.071	10	20	DGCD	
Cc1onc(-c2cccnc2)c1C(=O)N1CCc2cc(F)ccc21	375877700	WYEXYEFVBDDTJI-UHFFFAOYSA-N	323.327	3.387	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H](O)c1c(F)cccc1Cl)CC2	296851394	NFZJJSOQHUWQIS-ZFWWWQNUSA-N	321.779	3.495	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](Cc2ccccc2)OC)c1	294715936	FAXYHOVQYQINGA-RHSMWYFYSA-N	315.413	3.309	10	20	DGCD	
CCOc1cccc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1O	390164243	MRBZBIBDCOYGPO-CFVMTHIKSA-N	319.401	3.009	10	20	DGCD	
C[C@@H](CCCO)CNCc1ccc(N(C)C)cc1C(F)(F)F	294738100	GXLOZIVJCACZIZ-LBPRGKRZSA-N	318.383	3.270	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc(Cl)ccc2O)c(OC)n1	290075961	GJLYAXYXIADHFD-SNVBAGLBSA-N	322.792	3.309	10	20	DGCD	
C[C@H](NCc1cc2c(cc1O)OCO2)c1c(F)cccc1F	393390469	QCSDTQYERJBZFH-VIFPVBQESA-N	307.296	3.250	10	20	DGCD	
CNCCc1ccccc1C(=O)N1CC(C)(C)c2ccccc21	643508047	FTAVNLZFZLMKIK-UHFFFAOYSA-N	308.425	3.387	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H](C)[C@H]3CCCN3)cc2)CC1	817902527	SKKMUDPIIZVUAM-VQIMIIECSA-N	301.478	3.153	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c(O)c1	817942254	NNLIYVRTTPJBQP-KSSFIOAISA-N	313.445	3.117	10	20	DGCD	
CC(C)C[C@@H](CN)N[C@H](C)c1ccc(Br)cc1O	817958981	NXWHBGMXNOMAQD-PWSUYJOCSA-N	315.255	3.179	10	20	DGCD	
CC[C@H](NCCCN(C)C)c1ccc(C(F)(F)F)cc1O	810208570	WLYMYJQEEYQKNZ-ZDUSSCGKSA-N	304.356	3.403	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)c3cccnc3)C2)cc1	818115862	CZULBNRESWDNJR-HZPDHXFCSA-N	311.429	3.267	10	20	DGCD	
CN(Cc1ccccc1O)C(=S)NCCc1cccs1	727697111	ZLHYOFJUECXJGD-UHFFFAOYSA-N	306.456	3.003	10	20	DGCD	
Oc1cccc(Cl)c1CNCCc1ccc2c(c1)CCO2	734003521	LXYWYYYONHIECX-UHFFFAOYSA-N	303.789	3.313	10	20	DGCD	
CCOCc1cc(CNC[C@](C)(O)[C@@H](C)CC)ccc1OC	732820988	RLTNMCKCTWINHT-KSSFIOAISA-N	309.450	3.118	10	20	DGCD	
Oc1cc(Br)ccc1CN[C@H]1CCCc2c[nH]nc21	825365115	FSHLPLKNDPKQMH-LBPRGKRZSA-N	322.206	3.045	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1cccc(F)c1)c1c(O)cccc1F	903310563	ZJHORLBYZAUXGK-GTNSWQLSSA-N	307.340	3.229	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC[C@H]1CCCO1	839914808	BWFSJILERMIOLJ-CRAIPNDOSA-N	318.461	3.067	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H](OC)C1CC1	838702055	RHMVSESWNKBYNZ-GUYCJALGSA-N	320.433	3.127	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C2CCC2)C2CC2)c1	834910592	ILFFLLZRTNIWRU-APPDUMDISA-N	303.402	3.408	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C2CCC2)C2CC2)c1	834910597	ILFFLLZRTNIWRU-DIFFPNOSSA-N	303.402	3.408	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)COCC(F)(F)F)c1O	846142435	TWARYYXRBYMPFK-ZJUUUORDSA-N	307.312	3.019	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC2(CCOCC2)CC1	840943690	YULAOWSTJUHYNI-UHFFFAOYSA-N	302.462	3.454	10	20	DGCD	
CN(CCNC(C)(C)C)Cc1ccc(N2CCCCC2)cc1	841003062	LFDOBLPJNHCHFX-UHFFFAOYSA-N	303.494	3.497	10	20	DGCD	
COc1ccc(CNC(=O)CCCc2ccc(F)cc2)c(O)c1	848024232	XLWISIMBHRROOF-UHFFFAOYSA-N	317.360	3.179	10	20	DGCD	
CCc1cccc(CN[C@H]2CCO[C@H](c3ccncc3)C2)c1O	848916697	WMAVIJQXLWHTBM-ROUUACIJSA-N	312.413	3.360	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](CCO)c2ccccc2)c1O	846145559	OQEZESXCEJNZLG-CZUORRHYSA-N	301.386	3.175	10	20	DGCD	
COc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)c1	741914684	JKPHYWDMSMAIES-UHFFFAOYSA-N	316.376	3.139	10	20	DGCD	
C[C@H](N)CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	843484236	ITCGKVIVVLGYLR-LSDHHAIUSA-N	312.413	3.219	10	20	DGCD	
CC(C)(CO)[C@@H](NC(=O)Nc1ccc(N)cc1)c1cccs1	841298330	AJIOVTMOKFJUTA-AWEZNQCLSA-N	319.430	3.212	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Cl)cn1	743718565	FWUVUXXCZVWVLE-UHFFFAOYSA-N	316.788	3.249	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCc3ccccc3C2)cc1	844307724	SPJGVAPQBJHRLD-SFHVURJKSA-N	308.425	3.174	10	20	DGCD	
C[C@@H]1CCC[C@@H](N2CCC(NCCc3ccc(N)cc3)CC2)C1	841034704	JSPJGNAWCJJUHM-OXQOHEQNSA-N	315.505	3.444	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNCCCc2ccco2)c1O	850407470	JLGORVUNCWNJGC-UHFFFAOYSA-N	310.737	3.269	10	20	DGCD	
C[C@H]1C[C@@H](NCCNc2ccccn2)c2c(O)ccc(F)c21	756604880	GVBUVLHJDWCEQP-WCQYABFASA-N	301.365	3.176	10	20	DGCD	
CN(C[C@@H](O)Cc1ccccc1C(F)(F)F)c1ccc(N)cc1	923401862	YPNCDKITALUVPN-HNNXBMFYSA-N	324.346	3.327	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCOC2CCCCCC2)c1	858232491	ZAULWKKLZQHMGF-UHFFFAOYSA-N	320.433	3.239	10	20	DGCD	
CC[C@@H](O)CCN[C@@H](C)c1cc(Br)c(F)cc1O	756657654	FAECDOMEWUBJJE-DTWKUNHWSA-N	320.202	3.105	10	20	DGCD	
C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1O	756763279	WRSKDWFKQCFSLS-LRDDRELGSA-N	320.408	3.116	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCS[C@@H](C)CC1	755719546	JOXKVZAESODNGX-AWEZNQCLSA-N	321.490	3.098	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)cc1	769500350	XNEMTEWYTHSQPI-MRXNPFEDSA-N	304.434	3.059	10	20	DGCD	
Cc1cccc(CO[C@@H](C)C(=O)NCc2cc(C)ccc2O)c1	869410543	LQBAEQNTFZQPMQ-HNNXBMFYSA-N	313.397	3.231	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@H]2COc3cc(C)c(C)cc32)c1	862757189	KQGJQOLWJIZLKH-INIZCTEOSA-N	311.381	3.110	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC2CCC(C(C)C)CC2)c1	764364500	SJKXDVBGFSISAW-UHFFFAOYSA-N	320.433	3.415	10	20	DGCD	
CCc1cc(NCc2cccc(Br)c2O)nc(C)n1	764935307	RFOVEKPOWUDWOE-UHFFFAOYSA-N	322.206	3.428	10	20	DGCD	
CNc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F	873860833	ZMDJVEDLSDEHDR-UHFFFAOYSA-N	315.392	3.206	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)C[C@H]1CCCC[C@H]1O	779154991	XVRDFQAPQLYSJS-QMTHXVAHSA-N	301.789	3.168	10	20	DGCD	
OC1CCN(c2ccc(CNC3CC4(CCC4)C3)cc2F)CC1	772875149	KMMGTOWMFSXTNA-UHFFFAOYSA-N	318.436	3.209	10	20	DGCD	
C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1ccc(N(C)C)cc1	776268716	FNUNESBEBHLWES-WCVJEAGWSA-N	317.477	3.191	10	20	DGCD	
CCCOc1ccc(CNCc2ccc(C)n(C)c2=O)cc1C	873115985	XZPRTQKGPQVQLT-UHFFFAOYSA-N	314.429	3.081	10	20	DGCD	
CCOc1ccc(CN(C)CC2(O)CCCCCC2)c(O)c1	779203907	KQILEDJEFZIANY-UHFFFAOYSA-N	307.434	3.308	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc(F)cc1F)c1ccc(N(C)C)cc1	773026614	SOENEXHDIQEXNH-GFCCVEGCSA-N	318.367	3.451	10	20	DGCD	
C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1Cc1ccccc1O	779105771	FJWCSVNYZVPOAW-ZIAGYGMSSA-N	320.433	3.222	10	20	DGCD	
COc1ccc(CN[C@H](C)c2ccc[nH]2)cc1Cn1cccn1	873097835	WXDDZOUJJPWNRD-CQSZACIVSA-N	310.401	3.119	10	20	DGCD	
CC[C@H](NCCCc1cnn(C)c1)c1cc(Cl)ccc1O	775501858	SQLAYFZEOZCOBL-HNNXBMFYSA-N	307.825	3.453	10	20	DGCD	
CCCOc1ccc(CNC[C@@H]2CCN(C3CC3)C2)cc1C	873012211	DHZPPOSNTHMXTK-KRWDZBQOSA-N	302.462	3.358	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2c(C)nc3ccccn23)c1	775373073	LXEOLOOTFVARAL-LBPRGKRZSA-N	311.385	3.208	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](O)c2ccc(Cl)cc2)c1O	894851840	OWEUWFRAYIHBPD-HNNXBMFYSA-N	321.804	3.186	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1	894092797	BYQSZQFJSDSPRI-PXAZEXFGSA-N	322.399	3.119	10	20	DGCD	
COc1cc(C)cc(CNC[C@@H](C)Oc2ccccc2)c1O	894277649	XZEQHRWMCYDZEL-CQSZACIVSA-N	301.386	3.266	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(OC)c(OC)c2O)cc1	895138073	LRLBIHGMJJRWAZ-UHFFFAOYSA-N	303.358	3.054	10	20	DGCD	
CC1CCN([C@@H](C)CNCc2c(O)ccc(Cl)c2F)CC1	790962791	SCCKINTYZWCJFG-LBPRGKRZSA-N	314.832	3.395	10	20	DGCD	
CCOCC1(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1	799301418	RIFNTMGZELCDTR-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
C[C@H](NC[C@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1O	790495875	CZEMILOMOBHVDA-XHDPSFHLSA-N	312.404	3.441	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)S1=O	792192353	NCCOALCTKZPMIG-HOTGVXAUSA-N	320.502	3.018	10	20	DGCD	
CCOC(=O)C[C@H]1CCCN1Cc1cc2c(cc1O)CCCC2	1320578534	MNDCJLYCVLODOH-QGZVFWFLSA-N	317.429	3.189	10	20	DGCD	
O=C1CC2(CC2)CN1CN1CCCc2cc(OC(F)F)ccc21	1261363357	BRDWQDAUHHLUBQ-UHFFFAOYSA-N	322.355	3.011	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1	1261377030	GEXAFTDNHBNLQK-HZPDHXFCSA-N	301.434	3.033	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccc(-c3ccccc3F)nn2)cc1	1580443342	YLGMUUPVPXSYQS-UHFFFAOYSA-N	322.343	3.046	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2cnccn2)cc1F	158706441	TYCAEQFKDMCOLA-CYBMUJFWSA-N	302.397	3.313	10	20	DGCD	
Cc1cccc(O)c1CNC[C@H]1CCN(Cc2ccccc2)C1	877486782	NKIUIXWPQIMGNR-GOSISDBHSA-N	310.441	3.312	10	20	DGCD	
Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2O)s1	867834470	IVXYELUDVGACFX-LLVKDONJSA-N	311.428	3.110	10	20	DGCD	
C[C@H]1CCCC[C@@H]1NC(=S)NCc1ccc(N(C)C)cc1	7371687	CRPPDGSYRFUSBI-BBRMVZONSA-N	305.491	3.295	10	20	DGCD	
Cc1cc(Br)ccc1/C=C1\SC(=S)NC1=O	177529012	YPEZFHICICIEMV-UITAMQMPSA-N	314.229	3.246	10	20	DGCD	
C[C@@H]1CCCC[C@H]1OCC(=O)N(C)Cc1ccc(N(C)C)cc1	112856711	VTFZSQHCSJCSCQ-CRAIPNDOSA-N	318.461	3.306	10	20	DGCD	
CCCCCCNC(=O)COc1ccc(N2CCCC2)cc1	178196216	BFJKNYRXVQYJHY-UHFFFAOYSA-N	304.434	3.362	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCCCNc2ccccn2)c1	185325506	LTVJHIRORBUFGF-CQSZACIVSA-N	315.417	3.339	10	20	DGCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C)ccc1C	189423780	YUYNLMCYQVCPGT-UHFFFAOYSA-N	321.398	3.209	10	20	DGCD	
CN1C(=O)/C(=C\c2cccc(OC(F)F)c2)SC1=S	195291457	FUXCWWFSMSTTRT-RMKNXTFCSA-N	301.339	3.119	10	20	DGCD	
CO[C@H](C)CNCc1ccc(OCc2ccccc2)cc1O	191204594	NYRYPEDAEHJSAE-CQSZACIVSA-N	301.386	3.096	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc(Br)o1	42116518	CKSLNPDNHSWMJH-UHFFFAOYSA-N	310.147	3.020	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCCN(c2nccs2)CC1	92482592	USMZBOHYWNLTLV-UHFFFAOYSA-N	323.849	3.214	10	20	DGCD	
CC[C@H]1C[C@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	272912246	LDBWPWMYPRJGEL-AEFFLSMTSA-N	318.461	3.306	10	20	DGCD	
COc1cccc(CNCc2occc2Br)c1O	809740198	OOOSNPXEMLNZKA-UHFFFAOYSA-N	312.163	3.046	10	20	DGCD	
O=C(Cc1ccoc1)NCc1cc(Cl)cc(Cl)c1O	807838431	RHLFTQQITBWNTQ-UHFFFAOYSA-N	300.141	3.151	10	20	DGCD	
Cc1nsc(NC2CC2)c1C(=O)N(C)Cc1ccccc1O	293483464	VFSHRHBOMUUEPA-UHFFFAOYSA-N	317.414	3.004	10	20	DGCD	
COc1cncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1	290222975	IDPBWKMSMBUDKM-UHFFFAOYSA-N	311.429	3.321	10	20	DGCD	
CCc1nocc1CN(C)Cc1cc(Cl)cc(OC)c1O	293715757	STWMSDWGNPRFAL-UHFFFAOYSA-N	310.781	3.237	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCCOC(F)F)cc1	801069162	XPAFBEPKCKANIT-UHFFFAOYSA-N	322.355	3.453	10	20	DGCD	
CC[C@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(F)cc1O	297267833	KLXZQGYEZWSZHA-WBVHZDCISA-N	321.367	3.315	10	20	DGCD	
COc1ccc(OC)c(CCN[C@@H]2CCc3cccc(O)c32)c1	297918858	XBFGKBCGBSPNTF-MRXNPFEDSA-N	313.397	3.229	10	20	DGCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NCCN1CCC1	815598262	QGDJVXBYZSFRKU-LJQANCHMSA-N	310.441	3.361	10	20	DGCD	
C[C@H](NCc1cc2ccccc2n(C)c1=O)c1ccccc1O	813882674	GVEULVMDHSDYQL-ZDUSSCGKSA-N	308.381	3.095	10	20	DGCD	
CCCc1nc(C)c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1	816180303	KMUHYEKQPJOUTR-LBPRGKRZSA-N	315.417	3.493	10	20	DGCD	
CC[C@@H](NCC(F)(F)CO)c1ccc(C(F)(F)F)cc1O	810237794	WGSXFZFHQGEQJN-SNVBAGLBSA-N	313.266	3.079	10	20	DGCD	
COC1([C@H](C)N[C@H]2C[C@H](C)c3c(F)ccc(O)c32)CCOCC1	817587700	HISIRIFOKMWFQI-OBJOEFQTSA-N	323.408	3.253	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1nc(C(C)(C)C)n[nH]1	814618252	YXVURTLUMKJWKX-UHFFFAOYSA-N	300.406	3.064	10	20	DGCD	
CCOC[C@H]1CCCN(Cc2c(O)ccc3ccncc23)C1	733787548	LHFFCEFDIUEBCU-AWEZNQCLSA-N	300.402	3.189	10	20	DGCD	
O=C(/C=C\c1cccc(O)c1)NCCCSc1nccs1	588536276	AIFFJYWKJCWYLK-WAYWQWQTSA-N	320.439	3.161	10	20	DGCD	
COc1ccc(O)c(CNc2ccnc(-c3ccccc3)n2)c1	733994896	UTEYTERXNIJXKU-UHFFFAOYSA-N	307.353	3.470	10	20	DGCD	
C/C(=C/C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)(C)C	742951936	BMZOVGTUYYUXSK-QBFSEMIESA-N	302.418	3.470	10	20	DGCD	
CC(C)CCSCC(=O)NCc1cc(Cl)ccc1O	846472348	IMULVTWWKVVAFX-UHFFFAOYSA-N	301.839	3.441	10	20	DGCD	
Cn1cc(CCC(=O)NCCc2ccc(N)cc2)c2ccccc21	846665530	LWDKNBADNZCZFN-UHFFFAOYSA-N	321.424	3.052	10	20	DGCD	
COc1ccccc1CC(C)(C)NC(=O)Nc1ccc(N)cc1	841299612	GGDNLOBMSOPRNX-UHFFFAOYSA-N	313.401	3.420	10	20	DGCD	
CN(CCCc1ccccc1)C(=O)NCCc1ccc(N)cc1	841961760	HXKLYNAHYNXEPF-UHFFFAOYSA-N	311.429	3.086	10	20	DGCD	
CCc1cccc(CN[C@H](C)c2nc(C(C)(C)C)no2)c1O	848906836	XQLVIATXZSRTKF-LLVKDONJSA-N	303.406	3.486	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cccc(C(=O)N(C)C)c1	840924162	VQXBNOYWBHJBPX-UHFFFAOYSA-N	311.429	3.375	10	20	DGCD	
CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)(C)C	843513555	HPZRBWQGOHZJNV-UHFFFAOYSA-N	303.431	3.187	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1O	858479077	IFBSTKXROTUVLQ-ONGXEEELSA-N	320.330	3.051	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cnn(C3CCC3)c2)c1	922215671	DNZDSJARZWTEDB-GFCCVEGCSA-N	301.390	3.173	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)Nc2ccc(O)cc2)cc1	759934480	WNGQETSMWNADFJ-UHFFFAOYSA-N	314.385	3.254	10	20	DGCD	
CC(C)CSCCCNC(=O)NCc1ccc(N(C)C)cc1	755853415	ZXIZIEKIEUCBCZ-UHFFFAOYSA-N	323.506	3.331	10	20	DGCD	
CCn1cc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2O)cn1	750048115	YYASHLDFASFBAR-UHFFFAOYSA-N	321.808	3.097	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc(F)cc(F)c1O)N1CCC[C@@H](C)C1	756410836	KJTKFRYOCQZGDT-FRRDWIJNSA-N	312.404	3.441	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc(C2CC2)c1	935948510	NSSRSYMNCLAYSP-UHFFFAOYSA-N	317.385	3.080	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C(F)=C3CCCC3)CC2)cc1	763015265	YENSUGUXENWNDJ-UHFFFAOYSA-N	318.392	3.141	10	20	DGCD	
Cc1ccc(CN(C)CCCNC(=O)OC(C)(C)C)c(O)c1	876753544	HDDAHOJAGDNCCC-UHFFFAOYSA-N	308.422	3.047	10	20	DGCD	
C[C@@H]1CC[C@H](C(=O)O)C[C@H]1NCc1c(O)ccc(Cl)c1F	871880774	YAMVKKWRKBSFIC-VDDIYKPWSA-N	315.772	3.164	10	20	DGCD	
COCCCN(Cc1ccncc1)Cc1ccc(C)cc1O	877525486	FFKCMQYEXCJMRW-UHFFFAOYSA-N	300.402	3.134	10	20	DGCD	
CCn1c(NC(=O)c2cc(O)cs2)nc2cc(C)ccc21	776249446	XHTDURMTGFLGOF-UHFFFAOYSA-N	301.371	3.384	10	20	DGCD	
Cc1cccc(O)c1CNc1ccc(CN2CCCC2=O)cc1	876822156	QTBNWAIWJTZGEB-UHFFFAOYSA-N	310.397	3.435	10	20	DGCD	
CCOc1ccc(O)c(CN2CCOCC3(CCCC3)C2)c1	776007835	KFKWDJVRHFLDGV-UHFFFAOYSA-N	305.418	3.184	10	20	DGCD	
Cc1cncc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773421694	BTAVCXBTNCWBAH-AWEZNQCLSA-N	312.417	3.016	10	20	DGCD	
C[C@H](NCc1cc(F)cc(F)c1O)[C@H](O)c1cccc(F)c1	883027694	KQPRPHDSKWXKNP-VFZGTOFNSA-N	311.303	3.021	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC(C)(C)C1	783931171	ZADZXXHZKNWALI-AWEZNQCLSA-N	303.450	3.330	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCCOC1CCSCC1	898438603	CWWIYIWYJAYSSA-UHFFFAOYSA-N	319.829	3.187	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCO[C@@H]1CCOC1	1320247334	QLKMGXGRZOPEJQ-KFWWJZLASA-N	305.418	3.034	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCNC(=O)C1CCC1	1323830796	TZGKOPOJOZXLRX-HIFRSBDPSA-N	316.445	3.145	10	20	DGCD	
CN(Cc1ccc(Br)cc1O)CC1CCOCC1	691781560	VQWSDSLWMMELMF-UHFFFAOYSA-N	314.223	3.013	10	20	DGCD	
O=C(c1c(F)ccc(O)c1O)N1CCC(C2CCCC2)CC1	1330572413	QGBKCGKTWGTXBJ-UHFFFAOYSA-N	307.365	3.279	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](C)c2nnc3ccccn23)cc1	1343897964	IAMAFMJIKXGMSQ-CQSZACIVSA-N	309.417	3.036	10	20	DGCD	
CC(C)c1oncc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1348253869	YZBHZXGZXVXYBF-LBPRGKRZSA-N	301.390	3.355	10	20	DGCD	
CCC(CC)[C@@H](CN[C@@H](C)c1cc(C(=O)O)ccc1O)N(C)C	1609916447	AGAGKIWBMQLYJT-BLLLJJGKSA-N	322.449	3.107	10	20	DGCD	
Cc1occc1CN(CC(=O)O)Cc1cc(Cl)ccc1O	1610588564	UAPUTUFNPCAIRJ-UHFFFAOYSA-N	309.749	3.034	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CN)C2CCCC2)cc1F	1577699753	XAAWBVWGGOZCQD-KRWDZBQOSA-N	307.457	3.279	10	20	DGCD	
CCN1CCCc2cc(CN[C@H]3CC[C@@H](C(=O)O)CC3)ccc21	1776876369	JXPDYYUUESBWGP-WOVMCDHWSA-N	316.445	3.192	10	20	DGCD	
CCN1CCc2cc(CNCCc3ccc(C(=O)O)cc3)ccc21	1776877754	USEXUCZPHBWCQG-UHFFFAOYSA-N	324.424	3.100	10	20	DGCD	
CC(C)(C)CC[C@@](C)(NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776246825	JXBNHLHIZHBWBF-MRXNPFEDSA-N	324.377	3.060	10	20	DGCD	
Cc1cc(C)c(NC(=O)CN(C)Cc2ccccc2O)c(C)c1	109771073	KBXVFANAFAIWPC-UHFFFAOYSA-N	312.413	3.388	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F	113418796	RDPNOCRWRLVFNI-CABCVRRESA-N	317.335	3.433	10	20	DGCD	
CCS[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	180843751	NKLLVTWWYUKHRX-BIYBCCJYSA-N	321.442	3.292	10	20	DGCD	
CC(C)(NCc1cc(F)ccc1O)c1ccc([N+](=O)[O-])cc1	184063853	MNFSPLSEJRVMAH-UHFFFAOYSA-N	304.321	3.464	10	20	DGCD	
COC[C@H](N[C@H](C)c1cc(Br)ccc1O)C1CC1	186153302	FGDLGOBYRIOJIX-RNCFNFMXSA-N	314.223	3.230	10	20	DGCD	
CC[C@@H](N[C@@H](C)C1CCN(C(=O)OC)CC1)c1ccccc1O	186750535	BKRQDCHWJYWJSA-XJKSGUPXSA-N	320.433	3.300	10	20	DGCD	
CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(O)c1O	187073260	PYNSHEUDZGDFGU-GFCCVEGCSA-N	303.383	3.309	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cnns1	188243519	IGLAVRJKIVKIKO-UHFFFAOYSA-N	304.400	3.259	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@H]2CCO)cc1F	189979209	PANXXCKLAATLER-RDJZCZTQSA-N	308.441	3.313	10	20	DGCD	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1ccc(N)cc1	237864458	YAVNJFXYHWWQPE-UHFFFAOYSA-N	320.396	3.253	10	20	DGCD	
Cc1ccc(N2CCCC2)c(C(=O)NCc2ccccc2O)c1	266581506	PUYRCBIGSTWKLV-UHFFFAOYSA-N	310.397	3.231	10	20	DGCD	
CCOc1cccc(CNCc2nnc(C(C)(C)C)s2)c1O	268148342	ALPFRABNLJFKNX-UHFFFAOYSA-N	321.446	3.230	10	20	DGCD	
C[C@@H](NCCOCC1CC1)c1ccc(Br)cc1O	273577997	MCNDQUUYBRSJGJ-SNVBAGLBSA-N	314.223	3.232	10	20	DGCD	
Cc1ccnc(-c2n[nH]c([C@H](C)NCc3cccc(C)c3O)n2)c1	279141617	ZFQQVPKXVFYFSU-ZDUSSCGKSA-N	323.400	3.040	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccccn1	282532743	HJWJDNAVQUJECU-UHFFFAOYSA-N	313.401	3.299	10	20	DGCD	
CN(C)c1ccc(CN(Cc2ccn(C)n2)Cc2ccco2)cc1	289949220	XTZWDGSWFZTRKJ-UHFFFAOYSA-N	324.428	3.282	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(F)ccc1O	303268029	FVYOKSWSBHEVBD-RHSMWYFYSA-N	314.404	3.456	10	20	DGCD	
Cc1ncccc1CNCc1cc(Br)ccc1O	705560660	CWMDCYNVHSLBSR-UHFFFAOYSA-N	307.191	3.148	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)OCC3CC3)ccc21	728764449	SYTZCPZRMZJQAF-UHFFFAOYSA-N	301.386	3.471	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1	729322419	ZZLHPACIXMIZIS-SFHVURJKSA-N	317.477	3.023	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1cccc(OC(F)F)c1	748444881	WTEBIOLBKJLSCZ-UHFFFAOYSA-N	308.284	3.315	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@H]2CCN(C3CC3)C2)c2c(O)ccc(F)c21	756402610	VXDCMCHNEQGYNF-JMSVASOKSA-N	304.409	3.154	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	756639786	FAIHJBLLEOFNCT-UMVBOHGHSA-N	324.440	3.026	10	20	DGCD	
CCN(Cc1ccc(N2CCN(C)CC2)cc1)C1CCCC1	775652943	WMXXZQIRNOVTDF-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
CC[C@H]1CCCCN1C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775834185	LFXOAGOETXMLMT-RDJZCZTQSA-N	317.477	3.194	10	20	DGCD	
CC[C@H]1[C@H](C)CCN1Cc1ccc(N2CCN(C)CC2)cc1	775998174	DSLQLOWRMGPSCY-APWZRJJASA-N	301.478	3.059	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)c(O)c1O	780859554	GCJYEDTYMSPJCY-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1CCN(C)c2ccc(F)cc21	784050077	OAEKVWXDFASSPZ-UTCJRWHESA-N	311.360	3.025	10	20	DGCD	
C[C@H](NCCN1CC=CCC1)c1cccc(C(F)(F)F)c1O	788803830	HNYOMAINJFQCTI-LBPRGKRZSA-N	314.351	3.324	10	20	DGCD	
Cc1ccc(CSCCNC(=O)c2cccc(O)c2O)cc1	790481569	GHRIECAPLBXXON-UHFFFAOYSA-N	317.410	3.069	10	20	DGCD	
C[C@H]1CC[C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	793275094	VMNNBCCRBSQIPB-HOCLYGCPSA-N	303.450	3.330	10	20	DGCD	
CC[C@@H]1CC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	806133190	IVNMGARXLRTJGY-RHSMWYFYSA-N	306.425	3.065	10	20	DGCD	
CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cccc(O)c1O	807860651	CSMFNPHKNDAKKU-AWEZNQCLSA-N	315.369	3.330	10	20	DGCD	
Cc1ccc(O)c(CN(C)CCc2ccccc2[N+](=O)[O-])c1	809689146	VTXYASSKHYWLHU-UHFFFAOYSA-N	300.358	3.283	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	815632895	AYVKFNURSSGYLG-OUCADQQQSA-N	322.424	3.222	10	20	DGCD	
COc1cccc([C@H](O)CNCc2ccc3ccccc3c2O)c1	816550705	YWSPVPCEDDGWSW-LJQANCHMSA-N	323.392	3.377	10	20	DGCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H](CC(=O)O)C2)c1	817818114	DFZZLLJOUYFWPU-GFCCVEGCSA-N	321.417	3.082	10	20	DGCD	
CC(C)C[C@H](CN)N[C@H](C)c1ccc(Br)cc1O	817958982	NXWHBGMXNOMAQD-ZYHUDNBSSA-N	315.255	3.179	10	20	DGCD	
CCc1nc2ccccc2n1CC(=O)N[C@H](C)c1ccccc1O	827923254	MYGAYKJXXPFZQL-CYBMUJFWSA-N	323.396	3.182	10	20	DGCD	
Cc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1CC(C)C	827941833	YTGOFJYHEPBPAB-GFCCVEGCSA-N	301.390	3.044	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)/C=C/[C@H]1CCOC1	831909356	LWDPPPWAXYJQTG-HVHJFMEUSA-N	303.402	3.114	10	20	DGCD	
CC[C@@H]1OCC[C@H]1NCc1cc(Br)cc(C)c1O	839192856	UGVPZEUYHGBOPR-OLZOCXBDSA-N	314.223	3.120	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCS1	839918082	JMXQIWMQPVJFKZ-CJNGLKHVSA-N	306.475	3.004	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(Br)ccc1O)c1ccn(C)n1	840815962	JFSWHTCPUSPGCN-ZJUUUORDSA-N	324.222	3.300	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1cn(C)nc1C	840895339	XEUKTUVSURVOHA-HUUCEWRRSA-N	314.477	3.385	10	20	DGCD	
CCOc1cccc(CN2C[C@H](O)C[C@H]2c2ccccc2)c1O	840956309	MZDRRYOQHOLTIV-SJORKVTESA-N	313.397	3.099	10	20	DGCD	
Nc1ccc(NC(=O)NC[C@H]2CCCN2C2CCCCC2)cc1	841297218	NMLJABDFXANWSI-QGZVFWFLSA-N	316.449	3.187	10	20	DGCD	
Cc1cccc(C)c1OC[C@@H](C)NC(=O)Nc1ccc(N)cc1	841301491	RAYFWXHXPODQLP-CQSZACIVSA-N	313.401	3.475	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(N(CC)CC)c(F)c2)CC[C@@H]1N	843051990	JMPDZTXWUCKZSP-WBVHZDCISA-N	307.457	3.231	10	20	DGCD	
Cc1ccc([C@H](C)NCC(C)(C)[C@@]2(O)CCCOC2)c(O)c1C	850562645	OTAXNBULJGMMGH-HNAYVOBHSA-N	321.461	3.227	10	20	DGCD	
COc1ccc(N2CCN(Cc3ncccc3Cl)CC2)cc1	859056505	XQNIUPACPYGBBA-UHFFFAOYSA-N	317.820	3.066	10	20	DGCD	
CC[C@@H](C)n1nc(C(=O)NCc2cc(C)ccc2O)cc1C	862757562	YQZMVLUWALYZES-GFCCVEGCSA-N	301.390	3.107	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1	862760527	UBVAPPAZRIZMTG-PXNSSMCTSA-N	307.393	3.221	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CCO[C@@]3(CCOC3)C2)cc1C	873100427	UCBCFJZJUMRGRC-HKUYNNGSSA-N	319.445	3.212	10	20	DGCD	
COc1ccc(CNC2CC3(CCC3)C2)cc1Cn1cccn1	873134109	XNCGWTYFHDDQLX-UHFFFAOYSA-N	311.429	3.362	10	20	DGCD	
Cn1nc(C2CC2)cc1CNCc1ccc2ccccc2c1O	897224347	OTOZFJFQIKYONY-UHFFFAOYSA-N	307.397	3.446	10	20	DGCD	
CC[C@H](NCc1cc(N(C)C)ccn1)c1ccc(F)cc1O	903198581	MOBFWRVLOKOVPW-INIZCTEOSA-N	303.381	3.233	10	20	DGCD	
CCN(CC)[C@H](CNCc1ccc2c(c1)CCO2)CC(C)C	917395022	ZEQYVWUULHKGGQ-SFHVURJKSA-N	304.478	3.468	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCN1CC(F)(F)F)c1c(O)cccc1F	926922207	IOQXFTMSTQSTTM-MNOVXSKESA-N	320.330	3.209	10	20	DGCD	
COc1ccc(N(C)Cc2ccc([S@](C)=O)cc2)cc1OC	1329105090	OBVPKKPHEMCZGY-QFIPXVFZSA-N	319.426	3.078	10	20	DGCD	
COc1cccc(CNc2ccc3c(c2)cc(C)c(=O)n3C)c1O	1330214608	YKIGNFIXGRGULJ-UHFFFAOYSA-N	324.380	3.173	10	20	DGCD	
C[C@@H](NC(=O)c1ccnc(OC2CCC2)c1)c1ccccc1O	1348986249	LYEJALFSPPWUKH-GFCCVEGCSA-N	312.369	3.210	10	20	DGCD	
CCC(C)(C)C(=O)NCC[C@H](C)NCc1ccc(OC)c(C)c1	1567228102	PASLLYRRUWLEJO-HNNXBMFYSA-N	320.477	3.424	10	20	DGCD	
CCN1CCCc2cc(CN[C@H]3CC[C@](C)(C(=O)O)C3)ccc21	1776876147	YAXNCIGLLHPGSP-LPHOPBHVSA-N	316.445	3.192	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3ccccc3cc2O)c1O	68488696	XWDIJBQIAAXFOZ-UHFFFAOYSA-N	323.348	3.190	10	20	DGCD	
CCSCC[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	93870951	CAMAVNKXZJJEBI-INIZCTEOSA-N	322.518	3.487	10	20	DGCD	
CC(C)(C)OC(=O)NCc1ccc(N2CCSCC2)cc1	108645864	KAZYZARGKPFILM-UHFFFAOYSA-N	308.447	3.265	10	20	DGCD	
O=C(CSc1nccs1)c1cccc(N2CCCC2=O)c1	133227782	YKQBVCAFOWIMIR-UHFFFAOYSA-N	318.423	3.245	10	20	DGCD	
CC[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	156270624	XNRZDFVZHBGECE-AWEZNQCLSA-N	306.406	3.052	10	20	DGCD	
C[C@@H](NCCN1CCc2sccc2C1)c1cc(F)ccc1O	185105686	PRHOVNCVRMMISX-GFCCVEGCSA-N	320.433	3.302	10	20	DGCD	
COc1ccc(COCCN[C@@H](C)c2cc(F)ccc2O)cc1	185861557	KLQZCXPUDYCLJS-ZDUSSCGKSA-N	319.376	3.407	10	20	DGCD	
COC(=O)c1ccc(NCc2cc(C)ccc2O)c(OC)c1	188708852	IWQIDZCYYZQFFK-UHFFFAOYSA-N	301.342	3.108	10	20	DGCD	
Cc1ccc(C[C@@H](CO)N[C@@H](C)c2cc(F)ccc2O)cc1	191585635	HERLZNQUANFHEM-BBRMVZONSA-N	303.377	3.094	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H](CC(C)C)N(C)C)c1O	228670794	GVHCRESQXOAZSE-AWEZNQCLSA-N	314.857	3.120	10	20	DGCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1	237942755	CSVZTGLUKFOHLP-LSDHHAIUSA-N	316.351	3.009	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)C2CCSCC2)C2CC2)cc1	264807322	BPECNNYZJVOBPV-UHFFFAOYSA-N	318.486	3.387	10	20	DGCD	
CC(=O)[C@@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C	273573028	ZSNWDPMHOMVTOF-WBVHZDCISA-N	316.445	3.010	10	20	DGCD	
CN(C)c1ccc(CNCC2(CC(=O)O)CCCCC2)cc1	277031142	PTAUDVPUHKVMPX-UHFFFAOYSA-N	304.434	3.267	10	20	DGCD	
C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1O	282220521	HYEIPHBZNAWEJH-WPCRTTGESA-N	322.257	3.261	10	20	DGCD	
Oc1ccc(Br)cc1CNC[C@H]1CCCSC1	288385303	GJRHOTVGIZRHIK-SNVBAGLBSA-N	316.264	3.388	10	20	DGCD	
CC[C@H](COCC(F)(F)F)N[C@H](C)c1cc(OC)ccc1O	295135209	PDGYTWSLFGMLRD-GHMZBOCLSA-N	321.339	3.409	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ccccc1OC	299595850	FNSXFRRKRVCUKN-UHFFFAOYSA-N	313.397	3.382	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2CC[C@@H](F)C2)n(C)c2ccccc12	346291967	AALXANBOSVRYPM-CHWSQXEVSA-N	303.381	3.177	10	20	DGCD	
NCc1ccc2c(c1)CCCN2CCCCC1CCOCC1	389589593	ZNIGTTPZRNLQBK-UHFFFAOYSA-N	302.462	3.495	10	20	DGCD	
OC[C@@H](CNCc1cc(Cl)ccc1O)Cc1ccc(F)cc1	725846285	BWYAYQVSTBXIFZ-CYBMUJFWSA-N	323.795	3.126	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=S)NC2CCCCC2)c1	728792212	IFPCODMWKKNIAH-LLVKDONJSA-N	308.447	3.259	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(C)c2O)c1	729534774	CVQFAVRGBRWEBJ-LBPRGKRZSA-N	315.369	3.214	10	20	DGCD	
O=C(CC(F)(F)F)NCc1ccc(N2CCCCC2)cc1	742468911	SPAAZJAHKGLFBQ-UHFFFAOYSA-N	300.324	3.246	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@@H]1c1cccc(F)c1)OCO2	743388442	DNQCMDVEZWKENY-CQSZACIVSA-N	301.317	3.207	10	20	DGCD	
O=C(CCCOc1ccc(F)cc1)NCc1ccccc1O	748345314	FGTTYIBATYZQPE-UHFFFAOYSA-N	303.333	3.007	10	20	DGCD	
CN1CCc2cc(/C=C/c3ncc(/C=C\C(=O)O)s3)ccc21	751534101	GYJFFFGSCQAJTP-JOVCIAKGSA-N	312.394	3.404	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CC(=O)N(c3ccccc3)C2)c(O)c1C	756475897	PKLJIUOGZCNRNE-HZPDHXFCSA-N	324.424	3.465	10	20	DGCD	
Cc1nn(C)cc1[C@H](C)N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	756537081	ZTFNCEFKNIIUOV-ISTVAULSSA-N	303.381	3.472	10	20	DGCD	
C[C@@H](CC(N)=O)NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	765791404	QXJDXGPRKSOYFR-LBPRGKRZSA-N	320.477	3.341	10	20	DGCD	
COc1cccc(O)c1CN1CCO[C@@H](c2ccc(F)cc2)C1	768426179	PPAIWUJRXFNWEK-GOSISDBHSA-N	317.360	3.113	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC(C)(C)C1	768775304	ZIELHHVIHRWLGC-HNNXBMFYSA-N	303.450	3.473	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)/C=C\c2ccsc2)c1	768911750	SYNWVLIXSKJXEZ-UUSYTGMJSA-N	303.383	3.353	10	20	DGCD	
Cc1noc(C2CC2)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	772996390	DLVJAERHASUSGR-NSHDSACASA-N	313.401	3.417	10	20	DGCD	
CCCCN(CCCO)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776243971	DGVMQYJIMDBEEA-HNNXBMFYSA-N	321.465	3.008	10	20	DGCD	
COc1cc(CN2CCC3(CCOCC3)CC2)c(O)cc1C	789529303	CNYSOWDFGDDILJ-UHFFFAOYSA-N	305.418	3.102	10	20	DGCD	
C[C@H]1CC[C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1	792953084	XJNQXTDQRVPMRU-QWHCGFSZSA-N	307.413	3.127	10	20	DGCD	
CC[C@@H](CO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796256054	HMOLHBHHYXOAJW-IBGZPJMESA-N	310.441	3.110	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCc1cn2ccccc2n1	816561970	SUIYHKYOSNGLAV-UHFFFAOYSA-N	319.767	3.165	10	20	DGCD	
Oc1cc2c(cc1CNCC[C@H]1CCc3ccccc31)OCO2	824549085	YDNBFGOWBVLWOA-CQSZACIVSA-N	311.381	3.331	10	20	DGCD	
C[C@]1(COC(=O)/C=C\c2ccc(O)c(O)c2)CC1(Cl)Cl	837588640	SQINNUYPKOUOTP-HSBHDXMMSA-N	317.168	3.238	10	20	DGCD	
Cc1cc(CNC(C)(C)CN(C)C)ccc1N1CCCCC1	839094572	GSXPCIOJFRELOG-UHFFFAOYSA-N	303.494	3.415	10	20	DGCD	
CC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC1	839145512	PSIINPCZPULVAV-QGZVFWFLSA-N	324.415	3.470	10	20	DGCD	
CCOCc1cc(CN[C@@H]2C[C@H](OC)C23CCC3)ccc1OC	839183065	STBSOPXVTOGEOV-MSOLQXFVSA-N	319.445	3.279	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(C)(C)C1	840481178	BYZIVAFNLNPIKT-CQSZACIVSA-N	303.450	3.043	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1cc2cnccc2o1	844274631	FGQNMVUUKUCNKJ-ZROIWOOFSA-N	313.382	3.284	10	20	DGCD	
COc1ccc(CN[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)cc1C	848639363	IRHWMYUUUUEVIZ-VHDGCEQUSA-N	305.418	3.229	10	20	DGCD	
CCc1cccc(CN2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c1O	848887872	GXJQCMCYTUKYBP-QZTJIDSGSA-N	318.461	3.176	10	20	DGCD	
CCc1cccc(CN[C@]2(C)CCCC[C@@H]2C(=O)OC)c1O	848891372	QDJQIBSPAQXUCW-CRAIPNDOSA-N	305.418	3.166	10	20	DGCD	
CC[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)CC(F)F	849744680	FSQAQRKOBZIMHL-RWCYGVJQSA-N	300.301	3.336	10	20	DGCD	
CCN(CC)CCOc1ccccc1NCc1nc(C)c(C)[nH]1	850203594	FVQZSEZYVIHMOF-UHFFFAOYSA-N	316.449	3.359	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2C[C@H](O)C2)c(C)n1-c1ccc(Cl)cc1	856394129	DESXRPYGRFBRLU-CTYIDZIISA-N	318.804	3.001	10	20	DGCD	
CC(C)[C@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)CCO1	858156852	SGDXQHNXCVJXEL-SUMWQHHRSA-N	312.404	3.324	10	20	DGCD	
NC[C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@H]1C(F)(F)F	863646293	ISGYFGSFMYOJON-MWLCHTKSSA-N	322.758	3.005	10	20	DGCD	
CC[C@@H]1CCCCN1Cc1ccc(N2CCC(O)CC2)cc1	876523976	HQHQHFJIOQUPBR-QGZVFWFLSA-N	302.462	3.412	10	20	DGCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12	883049260	IKERWPSSUAAMEJ-ZMSDIMECSA-N	301.336	3.346	10	20	DGCD	
COc1nc(C)cc(C)c1CN[C@@H](C)c1c(O)cccc1F	886522430	JABXLQODTNEFFH-LBPRGKRZSA-N	304.365	3.403	10	20	DGCD	
COc1cc(C)cc(CN2CCCC[C@H]2c2nc(C)no2)c1O	894757216	UJTMURQMKYLCLD-AWEZNQCLSA-N	317.389	3.128	10	20	DGCD	
CC[C@H](NCc1cc(C)cc(OC)c1O)[C@@H](O)c1ccccc1	895476123	FUCLOIPIKOYTCY-WMZOPIPTSA-N	315.413	3.311	10	20	DGCD	
Cc1sc2nc(Sc3nccs3)n(C)c(=O)c2c1C	914863483	XTPMQKKSXBCQHC-UHFFFAOYSA-N	309.441	3.220	10	20	DGCD	
C[C@H](NC(=O)[C@@H](C)c1cccc(O)c1)c1ccc(N(C)C)cc1	935465833	UFANMQWCVMZQRC-KBPBESRZSA-N	312.413	3.439	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1C	1116443247	LLDGTPZXTDPDEI-JKSUJKDBSA-N	319.468	3.198	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCOC2)c1	1263983675	XVNLACQRZONIHW-ZDUSSCGKSA-N	318.804	3.266	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CCO[C@]2(CCOC2)C1	1320130707	AXVXCIXOBXBGKV-MMMWYMCRSA-N	317.429	3.177	10	20	DGCD	
COC(=O)N1CCC[C@H](N[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)C1	1320410483	BXNQLJGVPOFDNN-MELADBBJSA-N	318.417	3.069	10	20	DGCD	
COCCONC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl	1321143934	ORDGCGAPRGAZGM-UHFFFAOYSA-N	322.792	3.055	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCCNC(=O)C1CCC1	1323830794	TZGKOPOJOZXLRX-DZGCQCFKSA-N	316.445	3.145	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1F	1328688004	FYRHLTSROKDMAH-JLZZUVOBSA-N	322.399	3.078	10	20	DGCD	
C[C@H](c1ccccc1)N(C)c1nnc(-c2sccc2O)n1C	1339574284	TXFAJSLHSRXDGA-LLVKDONJSA-N	314.414	3.447	10	20	DGCD	
C[C@@]1(CCNC(=O)NCc2ccc(N)cc2)CC1(Cl)Cl	1346649813	VAVLTALPIAABQB-CYBMUJFWSA-N	316.232	3.042	10	20	DGCD	
CCN(CC)Cc1ccc(C(=O)NCc2ccc(N)cc2)cc1	1577693341	WAZPXJSSWKOSDU-UHFFFAOYSA-N	311.429	3.041	10	20	DGCD	
O=C(O)[C@H](CC1CCCCC1)NCc1cc(F)c(F)cc1O	1601647087	XBPBYZJTMZUXTE-AWEZNQCLSA-N	313.344	3.184	10	20	DGCD	
COc1ccc(N(CCC(C)C)Cc2cc(C(=O)O)no2)cc1	1607267961	CYNRRHYPBJXROR-UHFFFAOYSA-N	318.373	3.434	10	20	DGCD	
C[C@H](N[C@@H]1COCc2ccccc21)c1cc(C(=O)O)ccc1O	1609774829	CAAXWAVOIHIBMT-MEDUHNTESA-N	313.353	3.013	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cccc(CC(=O)O)c2)cc1F	1777038258	DVAVZVPFUXXLDS-UHFFFAOYSA-N	320.339	3.270	10	20	DGCD	
CN(Cc1nc(C2CC2)cs1)c1ccc(OCC(=O)O)cc1	1777080860	OJFDIERHMCNMBG-UHFFFAOYSA-N	318.398	3.120	10	20	DGCD	
CO[C@@H]1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)C1	76244566	GFGDBMGXMWTAIR-CQSZACIVSA-N	318.442	3.407	10	20	DGCD	
C[C@@H](Oc1ccccc1)C(=O)NCCCSc1nccs1	114374702	SNRVQLLURIBBJQ-GFCCVEGCSA-N	322.455	3.209	10	20	DGCD	
CS[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1	117508145	KJWYQQBESOLTLN-KGLIPLIRSA-N	308.447	3.208	10	20	DGCD	
CCN1CCC(N(C)Cc2cc(Cl)cc(C(C)=O)c2O)CC1	120035510	WFHZSDXSFZNQAC-UHFFFAOYSA-N	324.852	3.164	10	20	DGCD	
Cc1cccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c1	130333904	CFEXDUQXPOCHRG-MDWZMJQESA-N	316.407	3.384	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(F)c(F)c2)c1	131355070	TZEMXYKPAGWXDF-SNVBAGLBSA-N	321.323	3.099	10	20	DGCD	
COc1ccc(N2CCC(NCC(C)(C)SC)CC2)cc1	154259061	HNBVYAVLCRKULS-UHFFFAOYSA-N	308.491	3.395	10	20	DGCD	
Cc1cc(/C=C2/SC(=S)NC2=O)ccc1Br	173956282	VEHAUACVJNUMNZ-WEVVVXLNSA-N	314.229	3.246	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)CC[C@H]2CCCCN2C)c1O	175740511	QWMUTEGPZQTKTF-MRXNPFEDSA-N	322.424	3.040	10	20	DGCD	
CCCc1cnc(NC(=O)NCc2cccc(OC)c2O)s1	180829610	OXOKGHHHNJGTML-UHFFFAOYSA-N	321.402	3.132	10	20	DGCD	
CC1CCC(=CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	183450904	QJALQKTYCDRXKU-ZGTCLIOFSA-N	303.402	3.282	10	20	DGCD	
Cc1cc(O)c(CN2CCC(C(=O)C(F)(F)F)CC2)cc1C	185094736	QOHCXAXBPOOCQP-UHFFFAOYSA-N	315.335	3.352	10	20	DGCD	
C[C@@H](NCC[S@@](=O)C(C)(C)C)c1cc(Cl)ccc1O	185474744	HZMNNZPUTYDUSD-GIGQVBGESA-N	303.855	3.243	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)Nc2ccc(OCCC(N)=O)cc2)c1	192719893	NVYYUVTVFPNKGE-CYBMUJFWSA-N	314.385	3.128	10	20	DGCD	
COc1cccc(CNCc2cccc(OC(C)C)c2)c1O	263660326	HFEVZMWAQNEYOU-UHFFFAOYSA-N	301.386	3.478	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccco1	282739495	XVVJZFMHVDJONE-UHFFFAOYSA-N	302.374	3.497	10	20	DGCD	
Cc1ccc(CN2CCCc3n[nH]cc32)c(-c2cnn(C)c2)c1	291460819	DDGBHNWUHWWFAC-UHFFFAOYSA-N	307.401	3.071	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC3(CC2)OCCCO3)cc1	293705355	RYRHIGXWFKIVMR-UHFFFAOYSA-N	318.461	3.262	10	20	DGCD	
Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1	298847624	KYDVLCOIHVVZDJ-UHFFFAOYSA-N	316.405	3.492	10	20	DGCD	
C[C@H]1SCC[C@H]1NCc1cc(Br)ccc1O	309833382	ZGELALSJBOGAGG-LDYMZIIASA-N	302.237	3.138	10	20	DGCD	
CC[C@H](CSC)NC(=O)NCc1c(C)c2ccccc2n1C	349802294	NJLNSZSQZSKLAO-CYBMUJFWSA-N	319.474	3.428	10	20	DGCD	
c1coc([C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)c1	371332709	QXEBYYGOKQYFGV-QGZVFWFLSA-N	312.413	3.106	10	20	DGCD	
COc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1Cl	588403684	VORUXXUMHDGIQS-CLTKARDFSA-N	319.744	3.412	10	20	DGCD	
COc1ccc(N2CCCN(CC(F)(F)C(F)F)CC2)cc1	736621428	NAOWYBZUFHSJPZ-UHFFFAOYSA-N	320.330	3.108	10	20	DGCD	
C[C@H]1C[C@H](NC2CCN(C3CC3)CC2)c2c(O)ccc(F)c21	756368886	RJZKQXXINGVUTA-NHYWBVRUSA-N	304.409	3.296	10	20	DGCD	
COC[C@@H](CC(C)C)N[C@H](C)c1ccc(N2CCOCC2)cc1	765331704	TZGBPCWDUMFFFO-SJLPKXTDSA-N	320.477	3.235	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCO[C@H](C)C1	770230500	SGINKCAXXYEBQX-KGLIPLIRSA-N	318.442	3.453	10	20	DGCD	
Cc1ccsc1CCNC(=O)NCc1ccc(N(C)C)cc1	773309240	ALUOZSURVUEKIJ-UHFFFAOYSA-N	317.458	3.164	10	20	DGCD	
CC[C@H](N[C@@H](C)[C@@H](CO)SC)c1cc(Cl)ccc1O	775509392	LILXHFJPTWIXHS-DUFXMDAXSA-N	303.855	3.199	10	20	DGCD	
COc1ccc2c(c1)CCCN2C(=O)/C=C\c1cnccc1C	783840103	UYDIDMFEEBGWSZ-YVMONPNESA-N	308.381	3.391	10	20	DGCD	
CC(C)[C@](C)(O)CN[C@H](C)c1cccc(C(F)(F)F)c1O	788591884	JHRBZVMKKYTZGJ-QMTHXVAHSA-N	305.340	3.469	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C2CCC(O)CC2)cc1	792034332	FMWJFOZPVWYYFF-UHFFFAOYSA-N	318.461	3.042	10	20	DGCD	
COc1cc(Cl)cc(CNc2ccc(C(N)=O)c(C)c2)c1O	798085803	ZXKXUCZGJIIIPX-UHFFFAOYSA-N	320.776	3.074	10	20	DGCD	
CCCCN(Cc1ccc(C(=O)OC)[nH]1)Cc1ccccc1O	802657395	CCEFHNKWCFCFKK-UHFFFAOYSA-N	316.401	3.309	10	20	DGCD	
CC(C)SCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	805308270	BCVGHPWJMAOWKC-CYBMUJFWSA-N	309.479	3.254	10	20	DGCD	
CC(C)[C@]1(CO)CCCN(Cc2c(O)ccc(Cl)c2F)C1	816662143	IPUKEEJFGJTERJ-MRXNPFEDSA-N	315.816	3.415	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](N3CCCC3)[C@H]2C)cc1Cl	825900795	RNZLFCJNTSEYCQ-CJNGLKHVSA-N	308.853	3.413	10	20	DGCD	
CN(C)c1ccc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1F	830636098	VFPYCYJIEKGUMF-QRTARXTBSA-N	320.408	3.109	10	20	DGCD	
CCN(CCSC)Cc1cc(Cl)cc(C(C)=O)c1O	830999443	LTURBAHHKHBNQG-UHFFFAOYSA-N	301.839	3.433	10	20	DGCD	
COC1([C@H](C)NCc2cc(Br)ccc2O)CCC1	840970889	ZIDHWVVUQOPQGQ-JTQLQIEISA-N	314.223	3.202	10	20	DGCD	
N[C@H]1Cc2ccccc2N(Cc2cc(Cl)cc(F)c2O)C1	841106767	PJKOXLZJLNLQNF-ZDUSSCGKSA-N	306.768	3.075	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)C2CC2)cc1	844854665	SZMNHLWZUGHJSF-AWEZNQCLSA-N	304.434	3.026	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCc3ccccc3NC2=O)c1	848559233	QWXJEHKKRHCRKI-CXAGYDPISA-N	310.397	3.305	10	20	DGCD	
Oc1cccc(Br)c1CN1CCC[C@H]1c1ncc[nH]1	862327073	XRJSMQLPLSJEOA-LBPRGKRZSA-N	322.206	3.215	10	20	DGCD	
CC[C@H](C(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@H](C)O	863940955	RFODZNXTXFGOQG-YJBOKZPZSA-N	314.429	3.117	10	20	DGCD	
CCn1cc(-c2nc(Cc3ccc(N)cc3)no2)c(C2CC2)n1	872170709	KBGYRSGODMLHPE-UHFFFAOYSA-N	309.373	3.003	10	20	DGCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)C(C1CC1)C1CC1	876652068	KUXLRSLEOVUKOR-UHFFFAOYSA-N	314.473	3.268	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1c(O)cccc1F	886551596	KOQNRYRESHWTLC-IUODEOHRSA-N	320.408	3.116	10	20	DGCD	
COc1ccc(CN2CCC[C@@H]2c2cc(C)on2)c(O)c1OC	891648031	IXFBKVQSQAJQAJ-CQSZACIVSA-N	318.373	3.043	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCO[C@H](C(C)C)C1	932944597	YFCZNJUWXGGZSM-QAPCUYQASA-N	318.461	3.128	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@H]2CCC[C@H]2C)cc1C	1127929607	UUTLLKMRQBSSAD-RHSMWYFYSA-N	318.461	3.036	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@H](C)NC(=O)C2(C)CC2)cc1C	1134435837	QFMRKIBDPLTZPO-CABCVRRESA-N	318.461	3.177	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)CCCO	1324464827	DCBZQUIGQCGYPP-GFCCVEGCSA-N	320.458	3.294	10	20	DGCD	
Nc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1	1336284504	AEOJCIKOPCDHKM-RBUKOAKNSA-N	314.404	3.496	10	20	DGCD	
CC1CCN(C2CCC(NCc3ccc(N)cc3)CC2)CC1	1345159340	GLWRUGHCDNPTHP-UHFFFAOYSA-N	301.478	3.402	10	20	DGCD	
C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(N3CCCC3)cc2)C1	1346845633	BJKOJDDYILSWLK-CDMIOBSGSA-N	320.502	3.066	10	20	DGCD	
C[C@@](NCc1cccc(Cl)c1O)(C(=O)O)c1ccccc1	1589131293	HXNISQSTULHHRX-INIZCTEOSA-N	305.761	3.135	10	20	DGCD	
CC(C)Cn1cc(N[C@@H](C)c2cc(C(=O)O)ccc2O)cn1	1591523747	QFBHNPMDCWVMGC-NSHDSACASA-N	303.362	3.116	10	20	DGCD	
C[C@@H](N[C@@H](CCN(C)C)C(C)(C)C)c1cc(C(=O)O)ccc1O	1593208879	KIJWOKUZQQQXBR-WBMJQRKESA-N	322.449	3.107	10	20	DGCD	
C[C@H](N[C@H]1CCSC(C)(C)C1)c1cc(C(=O)O)ccc1O	1593232918	QAWGULMUHHHGGB-JQWIXIFHSA-N	309.431	3.415	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@]2(C(=O)O)CC[C@H](C)C2)cc1	1776861176	KXWCDAOMXBBKGU-KSSFIOAISA-N	304.434	3.266	10	20	DGCD	
Cc1nc(CNCc2cccc(Br)c2O)cs1	42412610	JFIXIJVKNMMFDF-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
COc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1	58768498	JDQYCUUQQSFJNZ-UHFFFAOYSA-N	310.397	3.008	10	20	DGCD	
COCCCN(CCOC)Cc1c(O)ccc2ccccc12	68963698	GTYZXRHAWWRYMH-UHFFFAOYSA-N	303.402	3.030	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC2(C)C)c1	78366020	CVQWCWZLKKNJSU-XHDPSFHLSA-N	306.406	3.340	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc(Cl)nc2Cl)cc1	129174294	MGRKAXGAAMAFOI-UHFFFAOYSA-N	324.211	3.384	10	20	DGCD	
CC[C@H](CSC)NCc1cc(Br)ccc1O	132050537	TWMALTVAKJCGRW-LLVKDONJSA-N	304.253	3.386	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCC[C@@H](N(C)C)C3)c2c1	152323274	BBMDHZDXAQSQLR-OAHLLOKOSA-N	314.429	3.080	10	20	DGCD	
Cc1cc(F)c(C(=O)NCc2ccc(N(C)C)cc2)cc1F	160122468	QAVUAPGJTUFKPS-UHFFFAOYSA-N	304.340	3.269	10	20	DGCD	
O=C(NCc1ccsc1)NCc1c(O)ccc2c1CCCC2	175097805	MTIOQCFRFJIJHK-UHFFFAOYSA-N	316.426	3.332	10	20	DGCD	
COC[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	177284944	JYVSDZRJAIAITL-LBPRGKRZSA-N	311.809	3.107	10	20	DGCD	
C[C@@H](CCN[C@@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	183595926	GDMVJPPDWYPCAY-STQMWFEESA-N	308.422	3.346	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1c(F)c(F)nc(F)c1F	184147528	IFSXCZFEXDHLSR-LURJTMIESA-N	316.254	3.092	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(F)(F)C(F)F	226617467	DCSZNYAGNMSCOY-UHFFFAOYSA-N	306.303	3.002	10	20	DGCD	
FC(F)(F)c1ccnc(NCc2ccc(N3CC=CC3)cc2)n1	265836426	MLDCSWHRNXFVMX-UHFFFAOYSA-N	320.318	3.484	10	20	DGCD	
Cc1ccnc(NCc2ccc(N3CCC(CO)CC3)cc2)c1	268371312	YUORFNXSDUWEBA-UHFFFAOYSA-N	311.429	3.211	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Cc2ccco2)cc1F	268809935	ATULEVFHWDETNH-UHFFFAOYSA-N	304.365	3.124	10	20	DGCD	
CC[C@H](NCCCc1nc(C)no1)c1ccc(N(C)C)cc1	271464786	KVSJKJHKCIJJFY-INIZCTEOSA-N	302.422	3.118	10	20	DGCD	
CC(C)CCC(=O)NCc1cccc(Br)c1O	277626615	WUKAGRUSGOAHMT-UHFFFAOYSA-N	300.196	3.207	10	20	DGCD	
CN(C)c1ccc(CNC2CCOCC2)c(C(F)(F)F)c1	279956602	OVSAHVLFYCASJH-UHFFFAOYSA-N	302.340	3.040	10	20	DGCD	
CCCOc1ccc(CN[C@H](C)[C@H](O)c2ccccc2)c(O)c1	288557535	MAMYWGZFIRJZCJ-KUHUBIRLSA-N	315.413	3.393	10	20	DGCD	
COc1cc(CNCc2cccc(OC)c2O)ccc1SC	289423415	JNCHXHQOYJGIAM-UHFFFAOYSA-N	319.426	3.421	10	20	DGCD	
CCN(Cc1nnc2n1CCCCC2)c1ccc(OC)cc1	299598809	LRCVWJZWGDUQBU-UHFFFAOYSA-N	300.406	3.040	10	20	DGCD	
COc1ccc(N(C)C(=O)c2c(-c3cccnc3)noc2C)cc1	622740261	YQIAAWFSVHNSPV-UHFFFAOYSA-N	323.352	3.330	10	20	DGCD	
CC[C@](C)(CO)NCc1cc(Cl)cc(Br)c1O	708098310	HTGMKMYVKMYCBY-GFCCVEGCSA-N	322.630	3.059	10	20	DGCD	
CCOC[C@@H]1CCCN(Cc2c(O)ccc3ccncc23)C1	733787551	LHFFCEFDIUEBCU-CQSZACIVSA-N	300.402	3.189	10	20	DGCD	
COc1ccc(CNCC(C)(C)Oc2ccccc2)c(O)c1	734161008	KHFYCJFMSXHHRJ-UHFFFAOYSA-N	301.386	3.348	10	20	DGCD	
CN1CCCc2cc(CNC(=O)/C=C/c3ccsc3)ccc21	746809322	VIXMBKYZUOQXNP-FNORWQNLSA-N	312.438	3.460	10	20	DGCD	
O=C(NCCc1ccc(Cl)cc1)NCc1ccccc1O	748463176	LTFDTHHUXJKURZ-UHFFFAOYSA-N	304.777	3.088	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@@H](C)C2)cc1	752005457	QOINQFPAPWLRJI-GJZGRUSLSA-N	303.450	3.330	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2CC(F)(F)C2)cc1F	753606538	AQDLVLPAHCGGFR-UHFFFAOYSA-N	314.351	3.333	10	20	DGCD	
Oc1c(Br)cccc1CNc1cncc(Cl)n1	764934341	LIYFOBYOVOIELH-UHFFFAOYSA-N	314.570	3.210	10	20	DGCD	
C[C@H](NC[C@@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1	765289825	ORTGAOUGGPPRKO-WMZOPIPTSA-N	312.457	3.254	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCCN(C(=O)OC)C2)cc1	765628111	BISYORDQEDJGDR-GOEBONIOSA-N	319.449	3.024	10	20	DGCD	
CN1C(=O)/C(=C/c2cncs2)c2cc(Br)ccc21	767717941	IBFMCAWMNFVXGW-VZUCSPMQSA-N	321.199	3.423	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)c1ccc[nH]1)c1ccc(N(C)C)cc1	773425462	UWYDLLQRTKHMRP-QWHCGFSZSA-N	300.406	3.202	10	20	DGCD	
CCN(C)c1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)cc1	773808149	NUGJXCUNJDNJCH-GOSISDBHSA-N	312.461	3.386	10	20	DGCD	
COC(=O)c1cc(CN(C)c2ccc(OC)c(Cl)c2)c[nH]1	780778044	ACMRLFCURCCNHR-UHFFFAOYSA-N	308.765	3.100	10	20	DGCD	
CCn1cccc(CN[C@H](C)c2cc(Cl)ccc2O)c1=O	788605930	TXUDDCNTYCYPOX-LLVKDONJSA-N	306.793	3.078	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CC(=O)c2ccccc21)c1ccc(N(C)C)cc1	789665180	BABPTTDTBJSSCK-ACJLOTCBSA-N	322.408	3.300	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cnc3n2CCCC3)c2c(O)ccc(F)c21	793566236	SPQDRZPCXPHACJ-SMDDNHRTSA-N	315.392	3.402	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC(F)(F)C1	795138261	YKMKMYIVCPKFMA-GFCCVEGCSA-N	309.356	3.323	10	20	DGCD	
C[C@@H](NCc1ccc(C[S@](C)=O)cc1)c1cc(F)ccc1O	797130983	CWRFVIHNFDSKAG-IPQOISQHSA-N	321.417	3.261	10	20	DGCD	
CN(C)Cc1cc(NC(=O)c2cccc(O)c2O)ccc1Cl	799057365	PLNVNCIZTVDCTI-UHFFFAOYSA-N	320.776	3.065	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](C3CC3)C2)cc1	808487878	KLMQYPHWGQQGPH-INIZCTEOSA-N	301.434	3.084	10	20	DGCD	
CCN1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](C)C1	809697651	LADAWIUJVBYPIS-JTQLQIEISA-N	303.233	3.225	10	20	DGCD	
COc1cccc(CNCc2cnc(-c3ccco3)s2)c1O	809740285	SETYLWNQVKWJFV-UHFFFAOYSA-N	316.382	3.407	10	20	DGCD	
CN1CC[C@H](N[C@H](CCc2ccccc2)c2ccccc2O)C1	815576537	SHYCMXCRKFBHHF-PKOBYXMFSA-N	310.441	3.360	10	20	DGCD	
CC(C)C[C@@H](CN)N[C@@H](C)c1cc(Br)ccc1O	817957556	CVYPMLZFZYGNAD-JQWIXIFHSA-N	315.255	3.179	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)c3nccs3)C2)cc1	818343222	ZRHUJVOSQBDAIY-KGLIPLIRSA-N	317.458	3.329	10	20	DGCD	
COc1cc(CN2CCOCC23CC3)c(O)c(C(C)(C)C)c1	825803592	CCORJJCDDJZDHB-UHFFFAOYSA-N	305.418	3.063	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C2CC2)[C@@H](CO)C2CC2)cc1Cl	826064466	KMMAMCOUSUKZLR-YOEHRIQHSA-N	309.837	3.241	10	20	DGCD	
O=C(C[C@H]1CCCN1C(=O)c1cc(O)cs1)c1cccs1	829774063	WHYSVISFEYLYGB-SNVBAGLBSA-N	321.423	3.393	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1C[C@H](O)C[C@@H]1c1ccccc1	840959653	ZFBSDZUIIRGGOB-CZUORRHYSA-N	321.779	3.493	10	20	DGCD	
COc1ccc(N(C)Cc2c(C)nc3sc(C)nn23)cc1	845999672	XLBZYZTXCQFLHE-UHFFFAOYSA-N	302.403	3.053	10	20	DGCD	
CCc1cccc(CN2CCN([C@H](C)C(F)(F)F)CC2)c1O	848890609	SPKPTSNYFDHROO-GFCCVEGCSA-N	316.367	3.023	10	20	DGCD	
CCN1CC[C@@H](CNCc2cc(OC)cc(C(C)(C)C)c2O)C1	850034829	REIREGXTXQZYSL-AWEZNQCLSA-N	320.477	3.130	10	20	DGCD	
CC[C@H](NCC(C)(C)[C@@]1(O)CCCOC1)c1ccccc1O	850561077	HXAMYSRPDWNDTP-MAUKXSAKSA-N	307.434	3.001	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cn(CC)nc1C	861561182	CRHWZQGTSOMRME-UHFFFAOYSA-N	315.417	3.360	10	20	DGCD	
CCCn1nccc1NC(=O)CSc1ncc(Cl)s1	865371221	BJAQYBIONQBEST-UHFFFAOYSA-N	316.839	3.134	10	20	DGCD	
CN(C(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(N)cc1	877077812	VNMDQMRBXJGRJH-UHFFFAOYSA-N	324.428	3.321	10	20	DGCD	
C[C@@H](Cc1cccnc1)NCc1cc(F)c(N(C)C)cc1F	897967752	YAPALUYJPPJNFJ-LBPRGKRZSA-N	305.372	3.147	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@](C(=O)O)(C(C)C)C2)cc1	901465699	XUFGLEUVCRGVHU-LJQANCHMSA-N	318.461	3.466	10	20	DGCD	
C[C@H]1CC[C@@H](C)[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	924762308	ZNBPQFNCPVAQKV-BDQBCWGISA-N	320.452	3.311	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2cnn(C3CCCC3)c2)c1	925872325	SKEWUOJGKRRXPF-UHFFFAOYSA-N	314.389	3.334	10	20	DGCD	
C[C@H](N[C@H]1C[C@H](CO)C1)c1ccc(N2CCCCCC2)cc1	927151099	CJQWZLNEODACKC-BQFCYCMXSA-N	302.462	3.489	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1Cc2ccccc2C[C@H]1C(=O)O	1600236394	HPTQWMWBMMTRQW-IBGZPJMESA-N	324.424	3.073	10	20	DGCD	
O=C(O)[C@H]1CC12CCN(Cc1ccc3ccccc3c1O)CC2	1610737859	DFVAOIURWUPKNL-MRXNPFEDSA-N	311.381	3.232	10	20	DGCD	
CCN(C)c1ccc(CN2[C@H](C)CC[C@H](C(=O)O)[C@H]2C)cc1	1776855598	OREDHMOYMSJQCG-CPUCHLNUSA-N	304.434	3.216	10	20	DGCD	
Oc1ccc(Cl)cc1CNCc1ccc2c(c1)OCCO2	21045691	RKLNYJGUBHYBHH-UHFFFAOYSA-N	305.761	3.107	10	20	DGCD	
COc1ccc(OC)c(CNCc2ccc(N(C)C)cc2C)c1	115629301	AYFSICHBXYCCRX-UHFFFAOYSA-N	314.429	3.368	10	20	DGCD	
Cc1cccc(CNC[C@H]2COC3(CCCCCC3)O2)c1O	181014947	GQNZVYGQJQMFFD-INIZCTEOSA-N	305.418	3.256	10	20	DGCD	
COCCOc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1	180761445	HUVOTSAUDUBMQU-UHFFFAOYSA-N	315.369	3.077	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C/c2cnc(C)s2)c(OC)c1	127484538	YFEXAOBVSDUJFX-SOFGYWHQSA-N	318.398	3.145	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c(C)noc1C1CC1	129567062	JIRZKTCWXRTMAI-UHFFFAOYSA-N	313.401	3.165	10	20	DGCD	
CCN(CC)c1ccc(CNC2CCN(C3CC3)CC2)cc1	73381016	IZYKJIUBYWHLRC-UHFFFAOYSA-N	301.478	3.249	10	20	DGCD	
Cc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c1	180982332	CMIKSJPDPYNHBL-VMPITWQZSA-N	311.381	3.087	10	20	DGCD	
CC(C)N(C(=O)CN(C)c1ccc2c(c1)OCO2)C1CCCC1	121373289	YHVVEXPMZAUDPI-UHFFFAOYSA-N	318.417	3.031	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1cc(OC)ccc1O	184718092	IZHVLBNIWYPWQV-GUYCJALGSA-N	321.417	3.002	10	20	DGCD	
CCn1ncc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc21	180991283	MMTFEJFZETWJCR-XBXARRHUSA-N	323.352	3.119	10	20	DGCD	
CCCN(CCC)C(=O)CCCC(=O)Nc1ccc(N)cc1	236979110	JSLBSXXFVFQVKA-UHFFFAOYSA-N	305.422	3.026	10	20	DGCD	
C[C@H](CCNCc1ccc(N2CCCCC2)cc1)CC(=O)O	277348453	PGSQEVLZTMTIRY-OAHLLOKOSA-N	304.434	3.267	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)c2ccccc21	276507274	YMGQAANJRBKICE-SFHVURJKSA-N	322.408	3.081	10	20	DGCD	
CC[C@H](NC[C@H](O)COc1ccc(F)cc1)c1ccccc1O	271713677	OTTVJHXODNGPFM-YOEHRIQHSA-N	319.376	3.012	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2cnn(CC(C)C)c2)c1	273510386	RSAWIBKCVAMCMJ-LBPRGKRZSA-N	317.389	3.204	10	20	DGCD	
CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccc2C)C1	283176147	DTTWRMMZDVDLJD-OZSKJFCKSA-N	308.381	3.008	10	20	DGCD	
C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1O	282552668	XIZHIDGLKOVDGZ-TVQRCGJNSA-N	307.344	3.132	10	20	DGCD	
CC(C)COCCN(Cc1ccccc1O)C[C@H]1CCCO1	800356773	WQIUCQKYLNCCKO-QGZVFWFLSA-N	307.434	3.046	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnn2ccccc12	801550065	MTQVIELETVKVQF-UHFFFAOYSA-N	323.396	3.482	10	20	DGCD	
FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cnns1	809575475	FRMALNAQGUSFOO-UHFFFAOYSA-N	315.320	3.390	10	20	DGCD	
CC(C)(C)C(=O)N1CCC(N[C@H]2CCc3cccc(O)c32)CC1	391724911	GCVGCMXWSRLAQY-HNNXBMFYSA-N	316.445	3.006	10	20	DGCD	
Cc1cccc(CNCCc2cc(C(F)(F)F)ccn2)c1O	816643403	DTGRPEJTKMUJKK-UHFFFAOYSA-N	310.319	3.447	10	20	DGCD	
Cc1cccc2c1CC[C@H]2NC[C@H](N)c1ccc(N(C)C)cc1	817938383	JQZDRKURRBBHRH-VQTJNVASSA-N	309.457	3.338	10	20	DGCD	
C[C@]1(CNCc2cc(Cl)c(F)cc2O)CCCC[C@@H]1O	816555870	SCPRMSNQFSFDJC-LSDHHAIUSA-N	301.789	3.216	10	20	DGCD	
CC[C@H](C(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1	818544829	RHHIDIYOCQYVBG-KRWDZBQOSA-N	300.377	3.260	10	20	DGCD	
CCN(CC[S@@](=O)c1ccccc1)c1ccc(OC)cc1	729473820	UNVFIOHBODNIHF-OAQYLSRUSA-N	303.427	3.329	10	20	DGCD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(Cc2cc(Cl)c(C)cc2O)[C@H]31	825884771	ACRVPAVFBXWUFS-GPMVNZHBSA-N	307.821	3.209	10	20	DGCD	
COc1cccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1	728938968	SPMNATGZGCJYHL-LLVKDONJSA-N	316.357	3.292	10	20	DGCD	
CC(C)(C)c1ccc([C@H](O)CNC(=O)c2cc(O)cs2)cc1	734868706	JQPPSLQGAQFNLG-CQSZACIVSA-N	319.426	3.215	10	20	DGCD	
CS[C@H](C)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839920975	WCFKFILDXAFIIN-ZIAGYGMSSA-N	308.491	3.250	10	20	DGCD	
C[C@H]1CN(C(=O)/C=C\c2cncc(F)c2)c2cccc(F)c2O1	588513002	YOWCZKLZISCYBC-GZTOBOFZSA-N	316.307	3.187	10	20	DGCD	
CCCN(CCN1CCCCC1)Cc1ccc(N(C)C)cc1	736946476	OOHRMSRTNBQERN-UHFFFAOYSA-N	303.494	3.451	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccc1F	734405791	HFHAQKTWIOJMSY-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1ccc(F)cc1O)Cc1ccccc1	834856021	KFIHBPJMJXCOAT-BBRMVZONSA-N	303.377	3.440	10	20	DGCD	
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccc(N)cc1)CC3	746314563	QDHNDXIXXZYWLC-UHFFFAOYSA-N	319.408	3.186	10	20	DGCD	
CCOc1cccc(CNCCc2ncc(C)cc2C)c1O	848565107	SMABJVZOTXAGNL-UHFFFAOYSA-N	300.402	3.135	10	20	DGCD	
C[C@H](NCCc1ccc(CO)cc1)c1ccc(Cl)cc1O	841751916	OLVBGVNBQNBDBM-LBPRGKRZSA-N	305.805	3.431	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCOC[C@H](C2CCC2)C1	840950158	KSCSGFRRHZLDQG-GOSISDBHSA-N	302.462	3.310	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CO)c1cccc(F)c1	840934594	UIRDFXSQPFRTCS-SFHVURJKSA-N	302.393	3.023	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1	843417038	OHUYYSQTPRAXGP-UONOGXRCSA-N	322.449	3.482	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C)c1nccc(N)n1	846894081	PQRRSJRCLJMILB-CYBMUJFWSA-N	300.406	3.128	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCCC1(F)F	845236399	RCOHPJWGJSENHJ-SNVBAGLBSA-N	318.751	3.280	10	20	DGCD	
CN1CCCc2cc(CNCc3ccc(C(=O)O)cc3)ccc21	840994521	LNSLESBEWDBONC-UHFFFAOYSA-N	310.397	3.057	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)c1ccnc(C2CC2)c1	846474306	UHBPGOVPDFFCKP-UHFFFAOYSA-N	302.761	3.248	10	20	DGCD	
CCn1nc(C)c(NCc2cc(F)c(N(C)C)cc2F)c1C	858153528	NVHQMHKCTOEWHV-UHFFFAOYSA-N	308.376	3.476	10	20	DGCD	
C[C@@H](NC[C@H](CO)Cc1ccccc1)c1cc(F)ccc1O	756460842	UIRHEQNVTUYNLI-UKRRQHHQSA-N	303.377	3.033	10	20	DGCD	
Cc1n[nH]cc1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C	920436586	WVZRUCDCWXUFEV-UHFFFAOYSA-N	322.412	3.098	10	20	DGCD	
Cc1cc(C(=O)O[C@H](C)c2cnccn2)c(C)n1-c1ccccn1	751159022	RUPGNFIJNAAHDA-CQSZACIVSA-N	322.368	3.197	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@]2(c3ccccc3)CCCO2)cc1	929401235	CUGLDYXOPYSAMP-HXUWFJFHSA-N	324.424	3.075	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cccnc1	751306819	YTLLEBAYWQATRD-UHFFFAOYSA-N	315.336	3.044	10	20	DGCD	
Cc1cc(CN2[C@@H](C)CC(C(=O)O)C[C@@H]2C)ccc1N(C)C	863476393	COEWTUNMBQDZDN-KBPBESRZSA-N	304.434	3.135	10	20	DGCD	
CCN(CC)c1ccc(CN2CCO[C@@H](C(F)(F)F)C2)cc1	769466390	MSMUIYBWJSRGHK-OAHLLOKOSA-N	316.367	3.296	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1ccc(C(N)=O)cc1	766268930	HRYPPXGSMULDPA-UHFFFAOYSA-N	310.397	3.137	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2CCC(=O)C2)c(C)n1-c1ccccc1	863163893	SLSVEIPPRGNESS-HNNXBMFYSA-N	310.397	3.080	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1Cc2ccccc2C1	761922662	KMDHVLRKSIFRSG-UHFFFAOYSA-N	308.425	3.092	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCCC2)cc1)[C@@H](O)C(F)(F)F	1116425120	TYNGBRSIEAQIFB-HUUCEWRRSA-N	316.367	3.078	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCN1CCCCC1=O	1116585289	WLZRCMFHLVFCRD-HUUCEWRRSA-N	316.445	3.241	10	20	DGCD	
CCOC(=O)N1CCC[C@H]([C@@H](C)NCc2cc(C)ccc2O)C1	776806065	BPAMQSHTLTYZQH-CABCVRRESA-N	320.433	3.047	10	20	DGCD	
Cc1cc(CN2CCc3ncncc3C2)ccc1N1CCCCC1	880598868	BCGAGMNECSZSSF-UHFFFAOYSA-N	322.456	3.334	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1CCN(C)c2cc(F)ccc21	784057184	ZCOWXXUEEMSZCL-ZZXKWVIFSA-N	311.360	3.025	10	20	DGCD	
Oc1c(F)cc(Br)cc1CN1CC[C@H]2C[C@@H]2C1	895326978	KEJNBFQDHPLODY-DTWKUNHWSA-N	300.171	3.136	10	20	DGCD	
Cc1cc(O)c(CNc2cnc(Br)cn2)cc1C	795792492	IWXVUBZDJGHXOC-UHFFFAOYSA-N	308.179	3.174	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1Cc2ccc(F)cc21	793043890	VNZQAHYXCQPYIM-IBGZPJMESA-N	324.399	3.382	10	20	DGCD	
CC[C@H]1C[C@H](C)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1	1319707754	XSRWGKHNYBYMFY-RDJZCZTQSA-N	319.468	3.198	10	20	DGCD	
CCOCCCCNCc1ccc(Br)cc1O	691488983	POFAWWAKQNCXHH-UHFFFAOYSA-N	302.212	3.061	10	20	DGCD	
CC[C@H](N[C@H]1C[C@H](OC)C1)c1cc(Br)ccc1O	706545270	HBDRIIQTLLBZAZ-GVXVVHGQSA-N	314.223	3.373	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1	1327999730	HNDROYLGIVZYSM-KZNAEPCWSA-N	302.462	3.436	10	20	DGCD	
CCN(CC)c1ccc(CN(C2CCC2)[C@@H](C)C(=O)O)cc1	1596289021	BLMDDVCYCPYIBT-AWEZNQCLSA-N	304.434	3.360	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CC[C@H](CC(=O)O)C2)cc1	1596194825	SRIAVVNWBUEXNR-OFQRWUPVSA-N	304.434	3.437	10	20	DGCD	
Cn1cnc(-c2cccc(NCc3cccc(Cl)c3O)c2)n1	153502602	YLLJEQOBJVTXAA-UHFFFAOYSA-N	314.776	3.453	10	20	DGCD	
CC(C)(C(=O)NCc1ccc(O)c(O)c1)c1cccc(Cl)c1	159142043	HSQKCXBMCGMQCR-UHFFFAOYSA-N	319.788	3.345	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1C(=O)O	380164207	ZYRZKXKSDMGCRH-LDYMZIIASA-N	318.200	3.242	10	20	DGCD	
COc1ccccc1NC(=S)NCc1ccc(N(C)C)cc1	6247481	FHXWSSZABZLICP-UHFFFAOYSA-N	315.442	3.248	10	20	DGCD	
C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1cccs1	173194193	XZRSZRJPDSAVLR-GFCCVEGCSA-N	316.426	3.343	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(C)(C)C)n[nH]1	78486423	HOQNKVYRMWFRQN-UHFFFAOYSA-N	314.433	3.045	10	20	DGCD	
CCNC(=O)c1ccc(CN[C@H](C)c2cc(F)ccc2O)cc1	185027876	ORYZHWCYFMBVEM-GFCCVEGCSA-N	316.376	3.132	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c(O)c1O	184783267	FPRJCETZCQSQOH-NHYWBVRUSA-N	312.369	3.025	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CCSCC1	121752107	YHYQXNGXTNQVCH-UHFFFAOYSA-N	320.458	3.011	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1	31730295	DNELWIIQFSTEQI-PBHICJAKSA-N	303.450	3.473	10	20	DGCD	
COc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1Cl	194904703	SEAIVMRTULXLFA-XVNBXDOJSA-N	319.744	3.412	10	20	DGCD	
CC[C@H](CSC)N(C)C(=O)NCc1ccc(N(C)C)cc1	91045586	WUINUDLANRROTC-CQSZACIVSA-N	309.479	3.036	10	20	DGCD	
Cc1c(CNC(=O)CC[C@@H]2CC[C@@H](C)O2)n(C)c2ccccc12	348657006	BGKCSFZFJLYPHV-HIFRSBDPSA-N	314.429	3.451	10	20	DGCD	
COC(=O)c1coc(CNCc2c(C)c3ccccc3n2C)c1	355105585	AUKQIJBWGXXGLH-UHFFFAOYSA-N	312.369	3.156	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1	268867091	UFVJCYNWVJJHEF-LJQANCHMSA-N	302.462	3.174	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H](CO)c2c(F)cccc2F)c(O)c1	273537018	XPYYPFUAFJEDBV-XHDPSFHLSA-N	307.340	3.363	10	20	DGCD	
CC[C@H](NCc1cccc(C(=O)NC)c1)c1ccc(C)cc1O	280144619	PVYGNYNMLVEWOO-KRWDZBQOSA-N	312.413	3.301	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@]2(O)CCCC2(C)C)c1O	293720668	TXCGYTMYFWKFCX-MRXNPFEDSA-N	313.825	3.085	10	20	DGCD	
CN1CC[C@@H]2[C@@H](CCCN2Cc2cc(Cl)cc(F)c2O)C1	809767725	SBDLNVKUHMTCTE-XHDPSFHLSA-N	312.816	3.101	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)CCCN)c1C	295221569	MTCYYWQPKVEKHB-CQSZACIVSA-N	313.445	3.260	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2cccc(Cl)c2F)cc1	809968307	AIWMPNQOUGOXNJ-UHFFFAOYSA-N	320.795	3.404	10	20	DGCD	
C[C@@H](N[C@H](CN)C1CC1)c1ccc(N2CCCCC2)c(F)c1	817960335	MEDDDHKQAIFTFB-CXAGYDPISA-N	305.441	3.204	10	20	DGCD	
COCC(C)(C)CNCc1cc(Br)cc(C)c1O	814173842	YPVFQFJJPZKYFK-UHFFFAOYSA-N	316.239	3.225	10	20	DGCD	
CC[C@@H](N[C@H](C)CCCN)c1cc(Br)ccc1O	817977887	RCNHNYAHBCUSQA-ZWNOBZJWSA-N	315.255	3.323	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCCN1CCCCCC1	816532619	OUQPYWPYLYJHER-UHFFFAOYSA-N	300.805	3.150	10	20	DGCD	
Oc1ccc(F)cc1CN1CCCN2c3ccccc3C[C@@H]2C1	811512829	LMDXVNLNMBBBDR-QGZVFWFLSA-N	312.388	3.168	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cccc(N)c2)cc1	826020844	XTJDKWUFOFGKAL-UHFFFAOYSA-N	311.429	3.387	10	20	DGCD	
COC(=O)[C@@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O	824702873	SHNXHOZTSCXZMY-PWSUYJOCSA-N	318.200	3.130	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C(C)(C)C3CCC3)CC2)cc1	822197176	NRJXCNHVGVRPGT-UHFFFAOYSA-N	316.445	3.170	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cc(C)[nH]n2)c1	733285789	JLWIKXCRJIVRJX-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O	824716377	SZMAHFNHAMQRBC-NWANDNLSSA-N	313.800	3.310	10	20	DGCD	
CCc1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)nc1	830559680	RZTYSLRSMYAHIP-UHFFFAOYSA-N	324.424	3.087	10	20	DGCD	
C/C(=C\C(=O)N1CCCc2ccc(C)c(C)c21)c1cnccn1	839438651	QKZWYOMXJABWQT-SDNWHVSQSA-N	307.397	3.476	10	20	DGCD	
O=C(O)CCN(Cc1ccc(N2CCCCC2)cc1)C1CC1	901972212	RCVXLBKDVNZNSR-UHFFFAOYSA-N	302.418	3.116	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)c2ccc(C)s2)c1O	745738941	XCVUGZFUFCFKSY-LLVKDONJSA-N	320.414	3.331	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1nccc(C(F)F)n1	840945441	NZYXFRMASMEXQO-UHFFFAOYSA-N	306.360	3.078	10	20	DGCD	
CCc1cccc(CN[C@H](CCO)c2ccc(OC)cc2)c1O	848899703	IKXHVOAGWGSPLL-GOSISDBHSA-N	315.413	3.177	10	20	DGCD	
Cc1noc(C)c1[C@H](C)NC(=O)NCc1cc(Cl)ccc1O	844972288	DRFWFSWRZSXINB-QMMMGPOBSA-N	323.780	3.211	10	20	DGCD	
Cc1cc(C(=O)N(C)[C@H](C)CCO)c(C)n1-c1ccc(F)cc1	846600994	OTDBBCWWXXAZGC-GFCCVEGCSA-N	318.392	3.076	10	20	DGCD	
C[C@H](CO)C1CCN(Cc2cc(Cl)cc(F)c2O)CC1	846058477	PPHXTEKMWYFOAS-SNVBAGLBSA-N	301.789	3.025	10	20	DGCD	
CCc1cccc(CNCc2ccc(C[S@](C)=O)cc2)c1O	848910098	FKYMPMWOOZKUHD-QFIPXVFZSA-N	317.454	3.123	10	20	DGCD	
CC(C)(C)c1cc(C(=O)NCc2cc(Cl)ccc2O)no1	846478083	ZHNAHFVVYXONBE-UHFFFAOYSA-N	308.765	3.261	10	20	DGCD	
Cc1ccc(O)c(CN[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1	843417036	OHUYYSQTPRAXGP-KBPBESRZSA-N	322.449	3.482	10	20	DGCD	
COc1ccnc([C@@H](C)NCCCSc2nccs2)c1	925104415	ZAPPGSCKHLBYBL-LLVKDONJSA-N	309.460	3.380	10	20	DGCD	
C[C@@H]1C[C@H](NCCOCC(F)(F)F)c2c(O)ccc(F)c21	756467945	AXBNFMOACGVLGA-SCZZXKLOSA-N	307.287	3.248	10	20	DGCD	
Cc1ccc([C@H](C)NCCCN2CCCCC2=O)c(O)c1C	756557933	YELYDBKBKGNMGC-HNNXBMFYSA-N	304.434	3.062	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)cc1	850750977	RPLFLBMNLHDINC-BBRMVZONSA-N	303.406	3.082	10	20	DGCD	
CCCN1CCN(C(=O)c2cc(O)cs2)c2cc(F)ccc21	854513670	QMVCQJUCRIKXSY-UHFFFAOYSA-N	320.389	3.470	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C)nnc1CC	759930758	GARHRSYOYHMPRU-UHFFFAOYSA-N	313.401	3.105	10	20	DGCD	
C[C@H](NC[C@@H](C)N(C)C)c1ccc(N2CCCCC2)c(F)c1	765776973	XZFYCNKPWWERSI-CABCVRRESA-N	307.457	3.417	10	20	DGCD	
O=C(O)[C@H]1CC[C@H](NCc2ccc(N3CCCCC3)cc2)CC1	864526319	XXBSORYWUDFNDF-QAQDUYKDSA-N	316.445	3.410	10	20	DGCD	
CCOc1ccc(CN(CCOC)Cc2ccccc2)c(O)c1	768161282	UXHFMMIXKNYKFM-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
Cc1cnc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)s1	868343318	OWSHNRQQKUMBOS-MNOVXSKESA-N	305.403	3.279	10	20	DGCD	
COC(=O)N1CCC(N[C@H]2C[C@H](C)c3c(C)ccc(O)c32)CC1	1116820185	UOIORDKLXKZGRH-JSGCOSHPSA-N	318.417	3.069	10	20	DGCD	
COc1ccc(CNC[C@H]2CCC[C@@H]2NC(=O)C(C)C)cc1C	1036950370	UFVIHFCWWAGBRQ-SJORKVTESA-N	318.461	3.034	10	20	DGCD	
CCOc1ccc(O)c(CN(C)c2ccc(OC)c(OC)c2)c1	761223126	XNVPFCDIIVQWBG-UHFFFAOYSA-N	317.385	3.445	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ncccc1N(C)C	1117633509	RZXKSKVKHVRSDY-UONOGXRCSA-N	311.429	3.500	10	20	DGCD	
COc1ccc([C@H](OC)[C@@H](C)NCc2cc(F)ccc2O)cc1	779106328	NLQTVVRNXMLRAA-KZULUSFZSA-N	319.376	3.406	10	20	DGCD	
Cc1ccc(CNC[C@H](c2ccc(F)cc2)N(C)C)c(O)c1	876948023	CWWCLGKPNZOJEV-QGZVFWFLSA-N	302.393	3.232	10	20	DGCD	
COC[C@H](Cc1ccccc1)NCc1cc(F)cc(F)c1O	883027920	UGJJGIUQHSWRJV-HNNXBMFYSA-N	307.340	3.018	10	20	DGCD	
Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc(F)cc(F)c1O	894781296	FWIGUNZCQVZKLU-CQSZACIVSA-N	307.344	3.347	10	20	DGCD	
CN(C)c1ccc(CNCC[C@@H](O)C2CC2)c(C(F)(F)F)c1	898196898	BOTVXRVZSVCHJH-OAHLLOKOSA-N	316.367	3.022	10	20	DGCD	
COc1cc(C)cc(CNC[C@H]2CCCN(CC(C)C)C2)c1O	894360490	WVLVBQLDLAKIGU-MRXNPFEDSA-N	320.477	3.167	10	20	DGCD	
COc1ccc(CN2CCSC(C)(C)CC2)c(O)c1OC	894111960	NOMNHMLAFGJWJV-UHFFFAOYSA-N	311.447	3.127	10	20	DGCD	
CC[C@H](CO)NCc1ccc2c(c1)CCN2Cc1ccccc1	796256056	HMOLHBHHYXOAJW-LJQANCHMSA-N	310.441	3.110	10	20	DGCD	
CO[C@@H]1CCCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1	792795307	RVGMWWIBOYTTQQ-CQSZACIVSA-N	316.367	3.382	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CCNc2ccccc2)c1	1319674481	BKMDPNMKUCZEER-ZDUSSCGKSA-N	314.385	3.080	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCN(C)CC(F)(F)F	1321022756	ICOYIDNJZZXWDJ-RYUDHWBXSA-N	316.367	3.333	10	20	DGCD	
C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1cc(F)cc(F)c1O	1323829455	JIJZRCLHUBFMPJ-SNVBAGLBSA-N	320.339	3.261	10	20	DGCD	
CN[C@H](C)CCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	1329023675	MQVXFSLVLLVMOV-HUUCEWRRSA-N	307.457	3.465	10	20	DGCD	
CO[C@@H]1C[C@@H](NCc2ccc(Br)cc2O)C1(C)C	691476964	OYSOHHUTDYVLSX-CHWSQXEVSA-N	314.223	3.058	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@](C)(O)C(F)(F)F	1337800184	LHHBXINPABQDNS-ISTVAULSSA-N	303.324	3.152	10	20	DGCD	
CCc1ncoc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	1337025417	GMEXLFFPUPACOY-UHFFFAOYSA-N	315.417	3.354	10	20	DGCD	
C[C@H](N[C@H]1CC=C(C(=O)O)C1)c1cc2c(cc1O)CCCC2	1604329404	JYLNOBUGRXTSFO-NHYWBVRUSA-N	301.386	3.095	10	20	DGCD	
O=C(O)[C@H](CNCc1ccc(F)c(F)c1O)C1CCCCC1	1601652764	FRQDXMFYWKYXJV-GFCCVEGCSA-N	313.344	3.041	10	20	DGCD	
C[C@@H](NCC(C)(C)c1ccccn1)c1cc(C(=O)O)ccc1O	1593239604	GRAPMOMELXVXAM-GFCCVEGCSA-N	314.385	3.114	10	20	DGCD	
CCN1CCc2cc(CN[C@](C)(CCC(C)C)C(=O)O)ccc21	1776884716	MTPIDHFRJLOGSP-LJQANCHMSA-N	318.461	3.438	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1C	158005917	OBEOGCUBYCVCNB-VQIMIIECSA-N	314.473	3.458	10	20	DGCD	
C[C@H](N[C@H](C)CC[S@](C)=O)c1ccc2ccccc2c1O	168840797	XNEPSSSMAKZCFV-RRMDADRESA-N	305.443	3.353	10	20	DGCD	
C[C@@H](OC1CCCCCC1)C(=O)NCc1ccc(N(C)C)cc1	159013799	GTQAIOZCSSUDFA-OAHLLOKOSA-N	318.461	3.497	10	20	DGCD	
Oc1cc2c(cc1CN(C[C@@H]1CCOC1)C1CC1)CCCC2	159831171	FIADSWTXOYEABR-AWEZNQCLSA-N	301.430	3.272	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](c1ccccc1)C1CC1	117570585	TWYZUOLUXKDAPS-ABMFHFBKSA-N	309.365	3.379	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCN2CCC[C@H]2C1	316871786	WNZLDZRJAGAMAG-WCVJEAGWSA-N	300.446	3.465	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)CCC(C)(C)C)c1O	74326620	ZOYSAJGYTKQHLC-LBPRGKRZSA-N	308.422	3.415	10	20	DGCD	
C/C=C/C[C@@H](CO)N[C@@H](C)c1ccc(Br)cc1O	186510047	VLFYEHOPFGMVLU-BMPPAVAUSA-N	314.223	3.132	10	20	DGCD	
C[C@H](NCCCc1cnn(C)c1)c1cc2c(cc1O)CCCC2	185313260	MJZMPQWSHOCUSI-AWEZNQCLSA-N	313.445	3.288	10	20	DGCD	
COC1(CN[C@H](C)c2ccc3ccccc3c2O)CCOCC1	186146967	SSZFHGROUPTMPK-CQSZACIVSA-N	315.413	3.392	10	20	DGCD	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccnn3C)S2)c(C)c1	192981077	VXNACDSSVJJHGB-ZROIWOOFSA-N	312.398	3.119	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1ccc(C)c(O)c1	89439064	DOFNVJDQHBCGMF-UHFFFAOYSA-N	313.397	3.388	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1cc(F)ccc1F	96297948	LRAQAMZVFZGYFL-UKTHLTGXSA-N	308.353	3.421	10	20	DGCD	
COc1ccc(CNC2CCN(CC(F)(F)F)CC2)cc1C	237322500	ZFLBFYIIZQKJKB-UHFFFAOYSA-N	316.367	3.120	10	20	DGCD	
CC(C)OC(=O)[C@@H](C)N(C)Cc1cc(Cl)cc(Cl)c1O	93773132	KVSICJOBBKVREO-SECBINFHSA-N	320.216	3.471	10	20	DGCD	
C[C@@H](Oc1ccccc1)C(=O)N(C)Cc1ccc(N(C)C)cc1	248139317	STEXIOIGYPHCNB-OAHLLOKOSA-N	312.413	3.179	10	20	DGCD	
CCOC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCC1	802785415	SEOQKTZWILMCQD-UHFFFAOYSA-N	317.429	3.237	10	20	DGCD	
Cc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c(O)c1O	817115330	VQBWGEQILKVUQF-OAHLLOKOSA-N	311.381	3.426	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC2CCN(C(=O)C3CC3)CC2)c(O)c1	815557685	ARGWYTNIZOTOJC-AWEZNQCLSA-N	316.445	3.061	10	20	DGCD	
C[C@H](NCCNC1CC1)c1ccc(N2CCCCC2)c(F)c1	817953751	QLCWXWULDYSBEV-AWEZNQCLSA-N	305.441	3.219	10	20	DGCD	
CNc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F	822083079	SAYJFIKRMCTCFU-GFCCVEGCSA-N	315.392	3.424	10	20	DGCD	
CN(C)C1(CN[C@@H]2CCc3cccc(O)c32)Cc2ccccc2C1	834602079	ISLDIVLSSROHDG-GOSISDBHSA-N	322.452	3.068	10	20	DGCD	
CCO[C@@H]1C[C@H](NCCCSc2nccs2)[C@@H]1SC	838963467	VOGCUJWLSCTENL-TUAOUCFPSA-N	318.533	3.124	10	20	DGCD	
Cc1cnc(OC(C)C)c(NC(=O)NCc2ccccc2O)c1	836708333	YHIYGDVLZNCIIY-UHFFFAOYSA-N	315.373	3.205	10	20	DGCD	
Cc1ncc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1	839919122	PPVJPEBCHFCLDQ-LBPRGKRZSA-N	317.458	3.187	10	20	DGCD	
Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1ccccc1O	748345375	AXSUDXWTSAKTEU-UHFFFAOYSA-N	307.353	3.021	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](c2ccccc2)N(C)C)c1O	846135131	BJKMDNGNDKUQPH-WMLDXEAASA-N	314.429	3.354	10	20	DGCD	
CCOC(=O)COC(=O)c1cc(C)ccc1-n1c(C)ccc1C	744884869	NAXNIUBTPCGFFF-UHFFFAOYSA-N	315.369	3.122	10	20	DGCD	
Cc1cnc(NCc2ccc3c(c2)CCCN3C)c([N+](=O)[O-])c1	742429937	NQRQSCUYKMLSKY-UHFFFAOYSA-N	312.373	3.293	10	20	DGCD	
CC(C)N1CCC[C@H](CNCc2ccc3c(c2)CCCO3)C1	921688740	DICHBQVDQZKRBJ-QGZVFWFLSA-N	302.462	3.222	10	20	DGCD	
COc1cc(CN2CC[C@H](C)[C@@H](CO)C2)c(O)c(C(C)(C)C)c1	857060659	CZMVEYTVGOSXPS-DZGCQCFKSA-N	321.461	3.149	10	20	DGCD	
COCC1(NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCCC1	850344985	DZKXMNKYHRDDLS-UHFFFAOYSA-N	314.769	3.003	10	20	DGCD	
COC[C@@H](Cc1ccccc1)NCc1ccc(N(C)C)cc1C	766029948	QJPQCADEMAGSRP-LJQANCHMSA-N	312.457	3.408	10	20	DGCD	
O=C1C[C@]2(CCCN(Cc3ccccc3O)C2)Oc2ccccc21	862481500	IDQQZNLTUOBIQQ-FQEVSTJZSA-N	323.392	3.392	10	20	DGCD	
CN(C)c1ccc(CNc2nnc([C@H]3CCCO3)s2)cc1	865296211	TXQPQYMVOUWVRS-CYBMUJFWSA-N	304.419	3.068	10	20	DGCD	
COc1cccc(O)c1CN1CCc2c(F)ccc(F)c2C1	769527273	DLKQFYOLIOEXOY-UHFFFAOYSA-N	305.324	3.237	10	20	DGCD	
C[C@@H]1CC(C)(C)CN1Cc1ccc(N2CCC(O)CC2)cc1	877590732	FTAZHJKZCZYZIN-OAHLLOKOSA-N	302.462	3.268	10	20	DGCD	
CS[C@@H](C)CCC(=O)NCCCSc1nccs1	773382967	MEEBEDZPPIHEDB-JTQLQIEISA-N	304.506	3.273	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1Cn1cccn1	873097834	WXDDZOUJJPWNRD-AWEZNQCLSA-N	310.401	3.119	10	20	DGCD	
COc1cccc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)c1	882798839	GBAZFCIHUWJYDM-UHFFFAOYSA-N	321.398	3.325	10	20	DGCD	
CC[C@H](N[C@H]1CCN(C)C1)c1ccc(Cl)c(Cl)c1O	775498448	KFJRHAHIUBKLOO-CABZTGNLSA-N	303.233	3.444	10	20	DGCD	
CCCCC[C@H](CC)C(=O)OCC(=O)c1ccc(O)c(O)c1	784543648	HLMPMGVAALAZJX-LBPRGKRZSA-N	308.374	3.430	10	20	DGCD	
COc1ccc(CN2CC[C@H]2c2cccc(F)c2)c(O)c1OC	892133335	NXFBONUMDHYJAL-HNNXBMFYSA-N	317.360	3.496	10	20	DGCD	
COC[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1	792824627	OEPAQNBSMWMCJF-GFCCVEGCSA-N	316.367	3.240	10	20	DGCD	
Cc1cc(Br)ccc1C(=O)NCc1ccccc1O	133752593	GKISCXJVKRMKBR-UHFFFAOYSA-N	320.186	3.393	10	20	DGCD	
CC(=O)N1CCC[C@H](CN[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)C1	1321074681	SCAGKJCMAGBRHS-FVQBIDKESA-N	316.445	3.097	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2cccc3c[nH]nc23)cc1	1320183530	MLTQUKGFWBUCBC-UHFFFAOYSA-N	324.428	3.140	10	20	DGCD	
C[C@@H]1C[C@H](NCc2c(O)cccc2Br)CS1	706872008	BOTHUCYTMRRFLX-BDAKNGLRSA-N	302.237	3.138	10	20	DGCD	
C[C@H](NC[C@@H]1CCN1Cc1ccccc1)c1ccc(F)cc1O	716177302	MYURXIFNKRWCPQ-YOEHRIQHSA-N	314.404	3.456	10	20	DGCD	
Cc1ccc(C2=NO[C@@H](CNCc3cc(F)ccc3O)C2)cc1	1334383763	IFJXVCJHRGTBNX-MRXNPFEDSA-N	314.360	3.123	10	20	DGCD	
Cc1cc(C)cc(CN[C@@H](C)c2cccc(-c3nn[nH]n3)c2O)c1	1591951092	IQSRYUQDXLYXGU-ZDUSSCGKSA-N	323.400	3.040	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2c(F)ccc(F)c2F)cc1	163643433	DGPYBZPWWNUWRW-UHFFFAOYSA-N	308.303	3.100	10	20	DGCD	
Nc1ccc(CNC(=O)c2cc(F)ccc2Br)cc1	37666223	KBCRCFDGTPOMQC-UHFFFAOYSA-N	323.165	3.100	10	20	DGCD	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(N2CCCC2)cc1	178195527	YHZOMUHPYLYUHM-HZPDHXFCSA-N	316.445	3.455	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCC[C@@H]2CCO)cc1F	189979165	PANXXCKLAATLER-WBVHZDCISA-N	308.441	3.313	10	20	DGCD	
CN(C)c1ccc(CNc2cccc(N3CCOC3=O)c2)cc1	122297876	RAYSMIIBECCXIF-UHFFFAOYSA-N	311.385	3.321	10	20	DGCD	
CCC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	128031760	XHJVVMCTYBPGND-UHFFFAOYSA-N	313.445	3.394	10	20	DGCD	
COc1ccc(OCCN[C@H](C)c2ccc(C)cc2O)cc1	184903650	UMQNZJBHYDFFTJ-CQSZACIVSA-N	301.386	3.439	10	20	DGCD	
COc1ccc([C@@H](C)CCNC(=O)c2cccc(O)c2O)cc1	185731617	ILKMLCOVSZWTER-LBPRGKRZSA-N	315.369	3.030	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(NC(N)=O)cc1	79001167	INHJPUHZPRWLEJ-ZDUSSCGKSA-N	312.417	3.094	10	20	DGCD	
CN(C)c1ccc(CN2CCCc3c(C(=O)O)cccc32)cc1	320748864	OKYULTCBFJNIRY-UHFFFAOYSA-N	310.397	3.404	10	20	DGCD	
COc1ccc(CNCc2c(O)cccc2Cl)c(OC)c1	83552009	QRTFUOVWCVJIQN-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2	253352174	NIWMHTPQCKCTHB-DFKRKDTASA-N	311.784	3.232	10	20	DGCD	
Cn1nccc1[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1	368591825	NACZGARUVJILCT-GFCCVEGCSA-N	305.809	3.159	10	20	DGCD	
COC(=O)[C@H](NCc1cc(-c2ccccc2)ccc1O)C1CC1	276492601	QKBGSALQCBUMIY-GOSISDBHSA-N	311.381	3.100	10	20	DGCD	
C[C@H](N[C@H]1CCc2c(O)cccc21)c1cc([N+](=O)[O-])ccc1O	273469108	FGJVEUUEOGMTHC-BONVTDFDSA-N	314.341	3.344	10	20	DGCD	
CC[C@H](NC1CCC(C(=O)NC)CC1)c1ccc(C)cc1O	280258233	XBZUWEGJJWXICM-XUJLQICISA-N	304.434	3.046	10	20	DGCD	
CCOc1cccc(CN2CCCC[C@H]2c2nc(C)no2)c1O	289907559	UWCGIFSXUJXGAY-AWEZNQCLSA-N	317.389	3.210	10	20	DGCD	
CCOc1cccc(CN[C@H](C(C)C)C2(CO)CCC2)c1O	292750965	IKOPTEUGFQNMLM-QGZVFWFLSA-N	307.434	3.068	10	20	DGCD	
C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1cc(Cl)cc(F)c1O	809703950	SEIPMMOIBRPFRA-BXUZGUMPSA-N	312.816	3.243	10	20	DGCD	
COc1cccc(C2(C(=O)NCc3ccc(N)cc3)CCCC2)c1	296881065	FMJIQWCORKLNTJ-UHFFFAOYSA-N	324.424	3.406	10	20	DGCD	
CCCc1nc(C)c(CNCc2cccc(OCC)c2O)o1	291740731	OVOPOUGJZOFJFH-UHFFFAOYSA-N	304.390	3.330	10	20	DGCD	
O=C(NCc1ccco1)NCc1cc(Cl)cc(Cl)c1O	804858249	PQNYHZLSWMFHEN-UHFFFAOYSA-N	315.156	3.291	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2c2cn(C)nc2C)ccc1N(C)C	815061325	QMDSAKXAJYSKIM-LJQANCHMSA-N	312.461	3.440	10	20	DGCD	
C[C@H](N[C@H](C)[C@H]1CCCNC1)c1cccc(C(F)(F)F)c1O	817948101	VETXXUYJDWRKRF-WOPDTQHZSA-N	316.367	3.450	10	20	DGCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cnns1	817295791	WLYXRCVKYLHKOC-CYBMUJFWSA-N	303.431	3.382	10	20	DGCD	
C[C@H]1C[C@H](C(=O)O)CN(Cc2ccc(N3CCCCC3)cc2)C1	817881998	TXLUJALTDATQPD-RDJZCZTQSA-N	316.445	3.220	10	20	DGCD	
CCOCc1cc(CNCCN2CCCC2(C)C)ccc1OC	825327733	VFIVVGMTEPKUTK-UHFFFAOYSA-N	320.477	3.196	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](c3nccn3C)C2)cc1Cl	825928212	NUMXYOBARHXOBC-LBPRGKRZSA-N	305.809	3.077	10	20	DGCD	
CCOc1ccc(O)c(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1	830085388	VRXSHUOWUWSTFA-RCBQFDQVSA-N	319.401	3.009	10	20	DGCD	
CN1CCC[C@@H](CCNCc2c(O)ccc(Cl)c2F)C1	839182140	LBLYVAFRGFNKJG-NSHDSACASA-N	300.805	3.006	10	20	DGCD	
Cn1c(C(C)(C)NC(=O)c2cc(O)cs2)nc2ccccc21	839799801	OUFLPRNMTQRYOA-UHFFFAOYSA-N	315.398	3.006	10	20	DGCD	
COc1ccc(CCN[C@H]2CCc3cccc(O)c32)c(OC)c1	834547957	ISRAFYYMLYIMCX-INIZCTEOSA-N	313.397	3.229	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC[C@H]2CCCO2)cc1	914719890	MSNFFTPXRCPGLR-GOSISDBHSA-N	318.461	3.450	10	20	DGCD	
CSCC1(CC(=O)N2CCOc3cc(N(C)C)ccc32)CC1	593075188	BVDPHUVTISYCDQ-UHFFFAOYSA-N	320.458	3.011	10	20	DGCD	
CCc1cccc(CNC[C@@H](O)c2c(F)cccc2F)c1O	848897044	MHDMBNVIAYWJEE-OAHLLOKOSA-N	307.340	3.056	10	20	DGCD	
CCOc1ccc(CNc2cccc(CCC(=O)O)c2)c(O)c1	840998159	OPOYGOVYMIWZBF-UHFFFAOYSA-N	315.369	3.420	10	20	DGCD	
COc1ccc(N2CCCN(CCOCC3CCC3)CC2)cc1	842148477	FUKJTFLCUZGWRQ-UHFFFAOYSA-N	318.461	3.024	10	20	DGCD	
C[C@@H](NC[C@@H](CO)c1ccc(F)cc1)c1cc(F)ccc1O	840879645	FRBMBTHYJPWVFS-YPMHNXCESA-N	307.340	3.097	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccc(-c2cnn(C)c2)c1	743311406	HFMWZUBNERROIY-UHFFFAOYSA-N	321.380	3.065	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ccc(C)c(C)n2)c1	840783990	OLFZFCFIYHWRMH-CYBMUJFWSA-N	314.385	3.041	10	20	DGCD	
CCOc1ccc(CNCC(C)(C)c2cccnc2)c(O)c1	840975470	OHVLFEGQUIDHNO-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
COc1ccc(N(C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1	844353407	VZIXHXWPFWVTIA-CQSZACIVSA-N	320.433	3.388	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CCCC1	840238222	VSWIAMDYBYWDKF-CQSZACIVSA-N	303.450	3.234	10	20	DGCD	
CC[C@@H](OC1CCCC1)C(=O)NCc1cc(Cl)ccc1O	846476656	OBNDPSXXZAWEGR-OAHLLOKOSA-N	311.809	3.400	10	20	DGCD	
Cc1ncc(CNCc2cc(C)n(-c3ccccc3)c2C)n1C	858295051	UAVHFRQAQKAUBV-UHFFFAOYSA-N	308.429	3.426	10	20	DGCD	
C[C@H](NCc1cc(C2CC2)nn1C)c1cc(F)cc(F)c1O	927101685	LSZVXFMLIMGVCM-VIFPVBQESA-N	307.344	3.132	10	20	DGCD	
CCc1ccc(O)c(C(=O)NCc2cc(Cl)ccc2O)c1	857548588	PIBIUOOPGPENDJ-UHFFFAOYSA-N	305.761	3.244	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)Nc2ccc(Cl)nc2)cc1	851779990	DYBRFHJDFHKQQW-UHFFFAOYSA-N	319.792	3.209	10	20	DGCD	
C[C@H](N[C@H]1C[C@@H](CO)C1)c1ccc(N2CCCCC2)c(F)c1	866414542	HZVHEBPQDVLTBO-OFQRWUPVSA-N	306.425	3.238	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@@H]2c2ccccn2)cc1OC	768443850	VEJQRPGWTHXWPJ-OAHLLOKOSA-N	314.385	3.142	10	20	DGCD	
C[C@H](NC(=O)c1nn(C)c2ccccc12)c1ccc(N(C)C)cc1	860950331	MAPHFJHBGYYVEE-ZDUSSCGKSA-N	322.412	3.130	10	20	DGCD	
CC[C@@H](NCc1ccc(N(CC)CC)cc1)[C@H](O)C(F)(F)F	765786724	IDPKFSURMDOLFS-CABCVRRESA-N	318.383	3.324	10	20	DGCD	
COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1ccc(N2CCCC2)cc1	1116655633	VBVZRQLDFXKFDE-YJBOKZPZSA-N	316.445	3.060	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H](O)c1cccc(OC(C)C)c1	877036600	RIWBGHIBSKROSX-LJQANCHMSA-N	315.413	3.311	10	20	DGCD	
CC[C@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccccc1O	775522172	LDLBOTKTEMNQIL-ZBFHGGJFSA-N	305.418	3.161	10	20	DGCD	
Cc1cccc(O)c1CN1CC[C@H](C(=O)N(C)c2ccccc2)C1	877494737	SMVMNZPHRFKSGF-INIZCTEOSA-N	324.424	3.186	10	20	DGCD	
CCCOc1ccc(CNCCCn2ccnc2C)cc1C	873016745	QUSJBFJYFZNDFN-UHFFFAOYSA-N	301.434	3.469	10	20	DGCD	
CC[C@@H]1CC[C@H](C)N1Cc1ccc(N2CCC(O)CC2)cc1	877531445	MXCZQNMJGQPGOF-DOTOQJQBSA-N	302.462	3.411	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Cl)cc1O	779541773	JVBWRNMMFLRFGL-KXFIGUGUSA-N	305.717	3.109	10	20	DGCD	
CC[C@H](NCC(=O)N(CC)c1ccccc1)c1ccccc1O	775412781	QIRZLYGOIKCNEL-KRWDZBQOSA-N	312.413	3.486	10	20	DGCD	
Cc1cccc(CN2CCN(Cc3cccc(F)c3)CC2)c1O	775650391	ZQIHRIMODYIWIZ-UHFFFAOYSA-N	314.404	3.158	10	20	DGCD	
CCN(C(=O)c1ccc(C)c(O)c1O)c1ccc(OC)cc1	780888931	ZCAYMHQDGLRUKU-UHFFFAOYSA-N	301.342	3.082	10	20	DGCD	
Oc1ccccc1CNCc1cnn(Cc2ccc(F)cc2)c1	780519584	KDGKVEWEBWXUEQ-UHFFFAOYSA-N	311.360	3.066	10	20	DGCD	
CCc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c(O)c1	787130932	CSLVMMFQSZHRSE-NSHDSACASA-N	315.369	3.160	10	20	DGCD	
COc1cc(C)cc(CNC[C@H]2[C@H]3c4ccccc4C[C@H]32)c1O	894337429	SGHYEEMSEXVIAL-SCTDSRPQSA-N	309.409	3.385	10	20	DGCD	
COc1c(N[C@@H](C)c2ccc(N(C)C)cc2)cccc1C(N)=O	782785498	YQHTZLUHGQVSJL-LBPRGKRZSA-N	313.401	3.033	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@H]1[C@H]1CCCO1	1321942997	DQUVYWOWOJYUJA-RBUKOAKNSA-N	300.446	3.430	10	20	DGCD	
CN(Cc1cc2ccccc2[nH]1)Cc1cc2c(cc1O)OCO2	1323324522	WXPPVFUGZMBAPO-UHFFFAOYSA-N	310.353	3.234	10	20	DGCD	
Cc1ccc(CCNCc2cccc(Br)c2O)o1	709745679	BXRLANQGTAILGF-UHFFFAOYSA-N	310.191	3.388	10	20	DGCD	
CC1(C)C[C@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1518062338	SGPKOARAPOCXPV-MRVPVSSYSA-N	309.753	3.020	10	20	DGCD	
Cc1cc(C)c(CN(C)c2ccc(OCC(=O)O)cc2)c(C)n1	1607620459	RKACVFKIOHRNDL-UHFFFAOYSA-N	314.385	3.107	10	20	DGCD	
C[C@H](N[C@@H](C)c1cncs1)c1ccc(N2CCOCC2)cc1	155303661	KMENGOQLUMQJMJ-KBPBESRZSA-N	317.458	3.392	10	20	DGCD	
CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1O	99468	OPECAIAUVAIHJJ-KRWDZBQOSA-N	312.369	3.377	10	20	DGCD	
COc1ccc(N(CC(=O)N[C@H](C)C(C)C)C(C)C)cc1F	104682756	PYCNMEGVQFMHCZ-CYBMUJFWSA-N	310.413	3.210	10	20	DGCD	
COCCCN(Cc1ccncc1)Cc1cc(C)c(C)cc1O	106856025	DBNWMFQDCHHGHN-UHFFFAOYSA-N	314.429	3.443	10	20	DGCD	
COC(=O)Nc1cccc(NCc2cccc(OC)c2O)c1	119712483	NKISCKXSICBGHP-UHFFFAOYSA-N	302.330	3.191	10	20	DGCD	
C[C@H](Nc1cncc(Cl)n1)c1ccc(N2CCOCC2)cc1	65280504	LCRZZMVMYUSRKV-LBPRGKRZSA-N	318.808	3.140	10	20	DGCD	
CC(C)c1nccc(NCc2ccc(N3CCOCC3)cc2)n1	110266737	PIGOCDLEBLSFEO-UHFFFAOYSA-N	312.417	3.049	10	20	DGCD	
CSC[C@H]1CCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	400067869	FGSZVSXSBRHCJJ-SMYYYNMVSA-N	322.386	3.024	10	20	DGCD	
CC(=O)c1ccccc1OCCN(C)c1ccc2c(c1)OCO2	178881180	SLTLQBINFXSMJV-UHFFFAOYSA-N	313.353	3.133	10	20	DGCD	
O=C(CC[C@@H]1CCCCO1)NCCCSc1nccs1	114374545	PDQBCBKYCHULPI-LBPRGKRZSA-N	314.476	3.091	10	20	DGCD	
C[C@H](NCCCOCC1CCOCC1)c1cc(F)ccc1O	185520647	NHICEUFDHFMQHT-ZDUSSCGKSA-N	311.397	3.015	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@H]2CCCO2)cc1	79391447	QIFZTLZBKNXZFU-QGZVFWFLSA-N	304.434	3.108	10	20	DGCD	
CCC[C@@H](C)NC(=O)[C@H](C)N(CCC)Cc1ccccc1O	76074408	TVLNVRNFBVTWNR-CABCVRRESA-N	306.450	3.298	10	20	DGCD	
COCc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1	194796892	AZRSSJHCCTXEID-UHFFFAOYSA-N	313.401	3.221	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc(NC(=O)C2CC2)cc1	42117127	TULKYCJJQQHDHH-UHFFFAOYSA-N	324.380	3.013	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2cccc(N(C)C)n2)cc1	90852482	MNLCQKVTQOQWHB-OAHLLOKOSA-N	312.461	3.455	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)s1	254986566	TZLSYPDHNCXAKY-AYYIZTPMSA-N	318.373	3.418	10	20	DGCD	
CCN(Cc1ccno1)Cc1cc(Br)ccc1O	266652127	YYGRDRKTZHLQPG-UHFFFAOYSA-N	311.179	3.165	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2ccncc2F)C2CC2)cc1	265875527	RRBAGCCHNLUMOO-UHFFFAOYSA-N	313.376	3.092	10	20	DGCD	
CC[C@H](C)[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	277181155	FHQTZKWCRSDONH-WMLDXEAASA-N	304.434	3.266	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCOCC1	374025844	ANFJWUNZTJXCOS-UHFFFAOYSA-N	304.415	3.018	10	20	DGCD	
C[C@H](NCC1CCN(C2CC2)CC1)c1ccc(F)c(F)c1O	278420782	INWNBUCAHVPLGD-NSHDSACASA-N	310.388	3.195	10	20	DGCD	
O=C1NCCN1c1cccc(NCc2c(O)cccc2Cl)c1	378895148	UITMJJTZSDTNBR-UHFFFAOYSA-N	317.776	3.187	10	20	DGCD	
COc1cccc(CNC(=O)CCc2ccc(C)s2)c1O	290112369	MMHFXECBMXXWBA-UHFFFAOYSA-N	305.399	3.020	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@@H](C)c1nc(COC)no1	801599211	FNGQENGBFNUYIH-ZDUSSCGKSA-N	319.405	3.285	10	20	DGCD	
COc1ccc(N(CCC(C)C)C[C@H](O)CN(C)C2CC2)cc1	809999144	CKFPLXYOCQHDMY-GOSISDBHSA-N	320.477	3.003	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(C)C)cn2)c1	810347724	LRZNZYDBLRHMRN-LBPRGKRZSA-N	314.385	3.410	10	20	DGCD	
C[C@@H](N[C@H](CCO)C1CC1)c1cccc(C(F)(F)F)c1O	815594760	XMWNUPAIEKBQCQ-NOZJJQNGSA-N	303.324	3.223	10	20	DGCD	
CCCc1[nH]ccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O	817550488	VYFIUOXAEOSNAG-NSHDSACASA-N	302.374	3.172	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)C3CC3)C2)cc1	819591689	VJSWBCDATGQLPB-AWEZNQCLSA-N	316.445	3.074	10	20	DGCD	
CCOc1ccc(N(C)CCOc2cccc(C(=O)O)c2)cc1	737202498	FQPQYZQZQNZVEN-UHFFFAOYSA-N	315.369	3.299	10	20	DGCD	
COc1ccc(CN[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)c(O)c1	839191823	KCINWTXROVEREV-HZPDHXFCSA-N	307.434	3.473	10	20	DGCD	
CCc1cccc(CNCc2ccc(OC)cc2OC)c1O	848895508	VPYKPFZKXQHSBH-UHFFFAOYSA-N	301.386	3.262	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CCN1	841064095	XWHDGOOFQMVIOA-WCQYABFASA-N	315.383	3.002	10	20	DGCD	
CCOC(=O)c1cncnc1CSc1ncc(Cl)s1	849999936	DAFZQGWFPQVSNZ-UHFFFAOYSA-N	315.807	3.056	10	20	DGCD	
CCOc1ccc(CN2CCC([C@H]3CCCNC3)CC2)c(O)c1	849349565	DFAHMRDYJPOALD-INIZCTEOSA-N	318.461	3.003	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1cnn(C)c1	840892557	AXKAGKIAYJKZLB-LSDHHAIUSA-N	300.450	3.076	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](CO)c1ccc(F)cc1	840934542	SAAPRDFPPCPGFK-GOSISDBHSA-N	302.393	3.023	10	20	DGCD	
CCCC[C@@H](CN)NCc1cc(Br)cc(C)c1O	841028662	GHUFQUMGHDKAIZ-ZDUSSCGKSA-N	315.255	3.070	10	20	DGCD	
COC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccc(C)o1	840935224	IVVLXFSDELEABH-QGZVFWFLSA-N	302.418	3.440	10	20	DGCD	
CCc1cccc(CNc2cc(CSCCO)ccn2)c1O	848900615	OOLWFQLBOVWLFA-UHFFFAOYSA-N	318.442	3.187	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H](c2nccn2C)C1	840940507	CRWUPHFJQPHEAU-QGZVFWFLSA-N	312.461	3.174	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2CCc3ccccc3NC2=O)c1	848559234	QWXJEHKKRHCRKI-DYVFJYSZSA-N	310.397	3.305	10	20	DGCD	
CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1C[C@@H]1C	840756823	CVZIQXWUVBPWJK-JDFRZJQESA-N	324.415	3.326	10	20	DGCD	
CC[C@H](C)CC[C@H](O)CC(=O)NCc1cc(Cl)ccc1O	846473513	MRACJDBYJYPNHH-FZMZJTMJSA-N	313.825	3.239	10	20	DGCD	
COc1ccc(CCN[C@@H](C)c2ccc(F)cc2O)c(OC)c1	756495382	JPRRIMSBDBSGPK-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
CCOc1cccc(CNCc2ccc3c(c2)C[C@H](C)O3)c1O	922702745	PZBLUKWLPPHDHQ-ZDUSSCGKSA-N	313.397	3.404	10	20	DGCD	
C[C@@H](NCC(C)(C)N1CCCCC1)c1cc([N+](=O)[O-])ccc1O	756343524	OXUYWHDUAGVOCM-CYBMUJFWSA-N	321.421	3.216	10	20	DGCD	
C[C@@H](CNCc1cc(F)c(N(C)C)cc1F)c1nccs1	858156293	HFBPZFDTEIXHMN-JTQLQIEISA-N	311.401	3.381	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@H]2CCCN2CC(F)F)c(O)c1	858478704	AIVVDRIHRNUGEJ-KGLIPLIRSA-N	312.404	3.389	10	20	DGCD	
CCN(CC)c1ccc(CNC(=S)NCC(F)(F)F)cc1	750995805	RHHUSGLRRSRWOM-UHFFFAOYSA-N	319.396	3.059	10	20	DGCD	
COCC(C)(C)CN(Cc1ccccc1O)C[C@@H]1CCCO1	756077723	SOJNUSJMWMXHKP-INIZCTEOSA-N	307.434	3.046	10	20	DGCD	
Cc1cncnc1-c1noc(-c2ccc(-n3cccc3)cc2)n1	762177265	HAWLHVNMWKFSQT-UHFFFAOYSA-N	303.325	3.293	10	20	DGCD	
CCC[C@@H](C)C(=O)NCc1cccc(Br)c1O	765765872	UFUGUUUXJIEDJT-SECBINFHSA-N	300.196	3.207	10	20	DGCD	
CCOc1cccc(CN2CCN(CCC(C)(C)C)CC2)c1O	768936263	ATBMOZBWAGGBBM-UHFFFAOYSA-N	320.477	3.345	10	20	DGCD	
Cc1cccc(O)c1CNC[C@](C)(O)c1cccc(Cl)c1	877374582	KRNLTBOTUJZUEK-KRWDZBQOSA-N	305.805	3.351	10	20	DGCD	
Cc1ccsc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C	775291594	NHTYUXDBCORRDS-UHFFFAOYSA-N	311.428	3.488	10	20	DGCD	
COc1ccc(N(C)C[C@H](OC)C2CCOCC2)cc1Cl	877182252	WQZGHDPJVRBNEV-INIZCTEOSA-N	313.825	3.226	10	20	DGCD	
Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1	773018671	WPESMYLLXPHPEG-HNNXBMFYSA-N	312.413	3.317	10	20	DGCD	
CO[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(C)C	771330096	CHIQDECELXEIHY-GOSISDBHSA-N	318.461	3.210	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CCC2(CCCC2)O1	784286760	NCOIGHFRWZYGPO-YVZNUBBCSA-N	318.369	3.146	10	20	DGCD	
COc1ccc(C)cc1NCc1ccc(OC)c(OC)c1O	892315911	RCMYJUCUJBVAIH-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
CC[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(OC)cc1O	794387283	HTERYFSMTQJJLC-SUMWQHHRSA-N	321.417	3.002	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c1	797877338	PXUZOWPUBKGCSL-NNUKFRKNSA-N	316.332	3.475	10	20	DGCD	
O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1O	792630965	XQKZLKWZFBGWFL-JSGCOSHPSA-N	315.344	3.303	10	20	DGCD	
CCC[C@H](CNCc1c(O)cccc1Br)OC	706835047	KLDCYWFKTJYOOG-SNVBAGLBSA-N	302.212	3.059	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@@H]2Cc2ccccc2)c(O)c1OC	1336735880	PKZFAMQGIQARFP-HOTGVXAUSA-N	313.397	3.130	10	20	DGCD	
CSCC(=O)c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C	1607394073	QQSNYBYWNPTPAU-UHFFFAOYSA-N	303.383	3.338	10	20	DGCD	
O=C(NCc1cccc(O)c1O)C1CC(c2cccc(F)c2)C1	1548790726	GAMUCXCGRRHKGJ-UHFFFAOYSA-N	315.344	3.047	10	20	DGCD	
CC(C)n1cncc1CNCc1cccc(Br)c1O	822476774	WGUVTGBTROCWQF-UHFFFAOYSA-N	324.222	3.222	10	20	DGCD	
O=[N+]([O-])c1cncc(Br)c1NCc1ccccc1O	223229959	APHXVKVZEHVGCB-UHFFFAOYSA-N	324.134	3.070	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(Cl)c1O)c1csnn1	398290493	BZYNMEXRISTHJA-LURJTMIESA-N	304.202	3.401	10	20	DGCD	
C[C@@H](NCc1c(O)cccc1Cl)c1ccc(NC(N)=O)cc1	113351636	WACXVLQGESGJJA-SNVBAGLBSA-N	319.792	3.387	10	20	DGCD	
Cc1cc(C(=O)OCc2cccnc2)c(C)n1-c1ccccn1	125895381	DLJYCCBVZYKQRO-UHFFFAOYSA-N	307.353	3.241	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(C)nc2C)c1	152416870	AIRZYBNGAYDONR-LLVKDONJSA-N	315.373	3.295	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(CC2CC2)C1)c1ccc(N(C)C)cc1	157715061	XFGLFFUEDXRNIC-PKOBYXMFSA-N	301.478	3.278	10	20	DGCD	
CC[C@H](N[C@@H](C)CN(C)C)c1cc(Br)ccc1O	168598928	XVRCAPRAPQONBH-GWCFXTLKSA-N	315.255	3.146	10	20	DGCD	
CCCN(Cc1cnc2c(c1)c(C)nn2C)Cc1ccccc1O	170779377	WFHCGCPTUWTXEW-UHFFFAOYSA-N	324.428	3.395	10	20	DGCD	
CCc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O	171937752	VDBKGQUYBWMJPF-CQSZACIVSA-N	312.413	3.414	10	20	DGCD	
COc1ccc(O)c(CN(C)CCOCc2ccccc2)c1	180713290	ZGMFJVXJWOXJDH-UHFFFAOYSA-N	301.386	3.049	10	20	DGCD	
Cc1cc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)o1	180715338	DGPAWKHTPNBZKL-OKPNEXGHSA-N	301.342	3.198	10	20	DGCD	
CC[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1	183525912	WMRRANQEUAMGKC-SJLPKXTDSA-N	316.445	3.108	10	20	DGCD	
C[C@@H](NCCC1(C)OCCO1)c1ccc(N2CCCCC2)cc1	183898488	JIHNSAISJDXHGD-MRXNPFEDSA-N	318.461	3.481	10	20	DGCD	
CC(C)C[C@H](CO)N[C@H](C)c1cc(Br)ccc1O	185113968	GGWDKUDIBCJICU-ZYHUDNBSSA-N	316.239	3.212	10	20	DGCD	
Cc1ccnc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1	194402305	DLUMTWSNDRNHCE-UHFFFAOYSA-N	306.369	3.445	10	20	DGCD	
CN1C(=O)/C(=C\c2ccc(OC(F)F)c(F)c2)SC1=S	255290912	XPYBXPLGIRIEBI-WEVVVXLNSA-N	319.329	3.258	10	20	DGCD	
C[C@H](N[C@H](C)Cn1ccnc1)c1ccc(Br)cc1O	273301162	BNHIOTSIZWRLKU-MNOVXSKESA-N	324.222	3.091	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](Cc2nc(C)no2)c2ccccc2)c1	277756636	WTQDQCXYHDNKNO-QGZVFWFLSA-N	323.396	3.466	10	20	DGCD	
CCCn1ncnc1CN(Cc1ccc(N(C)C)cc1)C(C)C	279155078	BHGVFEYIGZFVTR-UHFFFAOYSA-N	315.465	3.165	10	20	DGCD	
CC(C)c1ccoc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	285855403	QLNVAMOHNJYDSH-LLVKDONJSA-N	303.358	3.175	10	20	DGCD	
C[C@@H](NCCCn1cc(Br)cn1)c1ccccc1O	287275627	JGKXIEPPDUHYJE-LLVKDONJSA-N	324.222	3.092	10	20	DGCD	
CCCc1nc(CN(CC)c2ccc(OC)c(OC)c2)no1	299283024	PGOULOMLRNAOEU-UHFFFAOYSA-N	305.378	3.066	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(F)c1	299478331	DSMZAKFKULWQKG-UHFFFAOYSA-N	315.392	3.338	10	20	DGCD	
CCc1cccc(CNC[C@H](C)CNC(=O)OC(C)(C)C)c1O	697909851	YKQCMCXGYOCSKN-ZDUSSCGKSA-N	322.449	3.205	10	20	DGCD	
COC[C@]1(C)CCN(Cc2c(O)cccc2Br)C1	707165976	MZBHCECPBJYARR-CQSZACIVSA-N	314.223	3.013	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)Cc2ccccc2O)C2CC2)cc1	725883034	LEJLBIKVZOPLIY-UHFFFAOYSA-N	324.424	3.192	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1	733000015	LVTMTIHLZPFTNM-VNHYZAJKSA-N	321.417	3.173	10	20	DGCD	
COc1cccc(CNC(=O)NCCC2CCCCC2)c1O	745529242	NFJIIEIZDCESKB-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
COc1cccc(CCN[C@@H](C)c2ccc(F)cc2O)c1OC	756422924	OGPWXAVQUQWWOJ-LBPRGKRZSA-N	319.376	3.442	10	20	DGCD	
C[C@H](NC[C@]1(O)CCCc2ccccc21)c1ccc(F)cc1O	756561747	HQGDEZHMVSVLLW-ORAYPTAESA-N	315.388	3.406	10	20	DGCD	
CN1CCN(c2ccc(CN[C@@H]3CCC34CCCC4)cc2)CC1	758592077	FDALPJOQOZYHKV-LJQANCHMSA-N	313.489	3.251	10	20	DGCD	
CC[C@@H](NCc1ccc(N(CC)CC)cc1)[C@@H](O)C(F)(F)F	765786727	IDPKFSURMDOLFS-HUUCEWRRSA-N	318.383	3.324	10	20	DGCD	
Cc1cc(C(=O)N2CC(O)C2)c(C)n1-c1cccc(C(C)C)c1	765854490	KVNMGZBAIHHQRK-UHFFFAOYSA-N	312.413	3.034	10	20	DGCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)c2ccccc21	768462493	LYURVGAVWMBGRU-XIKOKIGWSA-N	311.381	3.332	10	20	DGCD	
C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@H](C)S1	769141830	MQEPCMWBCNMCSU-UWVGGRQHSA-N	316.264	3.481	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](F)c2ccccc2)c1	769608285	UVCBMOJVTPYJBQ-BDJLRTHQSA-N	303.333	3.289	10	20	DGCD	
CO[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)(C)C	773348673	XTTDWAGQIYCROX-CJNGLKHVSA-N	321.465	3.174	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@@H]2CCC[C@@H](C)C2)c1O	774836642	UDDUOTWLWUGDRA-DGCLKSJQSA-N	308.378	3.320	10	20	DGCD	
CC[C@H]1[C@H](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C	776126286	AWGXRMBSORLITC-PBHICJAKSA-N	315.461	3.399	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC=CO1	777848048	UHUCRJCMHCPDAE-GOSISDBHSA-N	314.429	3.328	10	20	DGCD	
COc1ccc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)cc1C	783671071	DKYBZKKGNJNQCG-AWEZNQCLSA-N	313.323	3.130	10	20	DGCD	
CO[C@@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1	800046632	ANCIQRNANDBKAI-OLZOCXBDSA-N	324.852	3.227	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC(c2cn[nH]c2)CC1	816495267	QKRJCPFEEJKCMN-UHFFFAOYSA-N	309.772	3.287	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3C[C@H]4CC(=O)[C@@H]3C4)cc12	817762002	NVPUKBRHWKPCEJ-MAZHCROVSA-N	311.381	3.316	10	20	DGCD	
C[C@H]1C[C@@H](NCc2ccc(CCN)cc2)c2c(O)ccc(F)c21	817950250	XDFSHVSVVMAAMJ-BLLLJJGKSA-N	314.404	3.371	10	20	DGCD	
C[C@H](NCC[C@@H]1CCNC1)c1ccc(N2CCCCC2)c(F)c1	817954822	KVEJTMZFZXCNLH-HOTGVXAUSA-N	319.468	3.466	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)c1ccccc1O	827946518	KTBLIRCFKYKFRB-PBHICJAKSA-N	316.445	3.367	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cc(F)ccc1[N+](=O)[O-]	830394402	DQNZDURQJUHXQJ-UHFFFAOYSA-N	309.249	3.167	10	20	DGCD	
OC[C@]1(CN[C@H]2CCc3cccc(O)c32)C[C@H]1c1ccccc1	834803015	IGUZGZSFSIUMHX-ABSDTBQOSA-N	309.409	3.135	10	20	DGCD	
CC1(C)CC[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	839144636	ISUQFLXHBJBIJD-CQSZACIVSA-N	324.415	3.470	10	20	DGCD	
Cc1ccnc(NCc2cc(F)c(N3CCOCC3)c(F)c2)c1	840325514	HJNZADAPFDOAJK-UHFFFAOYSA-N	319.355	3.117	10	20	DGCD	
Cc1ccc(-c2nn(C)cc2CNCc2ccc(N(C)C)cc2)o1	842660504	KWQXVYQPLLYVON-UHFFFAOYSA-N	324.428	3.344	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)Cc1nc(Cc2ccc(N)cc2)no1	843160133	WFENNIZAMNVQOW-JTQLQIEISA-N	312.373	3.194	10	20	DGCD	
CCN(CC)c1ccc(CNC2([C@@H](C)C(=O)O)CC2)cc1F	844289245	ACDAIQSCMVREGL-LBPRGKRZSA-N	308.397	3.015	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCC(F)(F)C1	845170155	ONRFCVYZMCAJPE-SECBINFHSA-N	318.751	3.280	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)C2CC2)cc1	861879442	PUZROZQZZDZZEN-CQSZACIVSA-N	324.424	3.364	10	20	DGCD	
Cc1cccc(O)c1CNC[C@](C)(O)c1ccccc1Cl	877374859	PRSUDVDJKCGNCR-KRWDZBQOSA-N	305.805	3.351	10	20	DGCD	
CC(=O)Nc1ccc2c(c1)CN(Cc1c(C)cccc1O)CC2	877817360	MRBWJYDOTSTFQU-UHFFFAOYSA-N	310.397	3.217	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cncc(OC)c1	880557043	KRPMFVKNXWJXSO-UHFFFAOYSA-N	315.373	3.240	10	20	DGCD	
COc1cc(C)cc(CN(Cc2ccccc2)C[C@@H](C)O)c1O	893995881	VEKOJWFVVYKLCD-OAHLLOKOSA-N	315.413	3.092	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H]1O	897679200	IOGSWLONCUSLQQ-KSSFIOAISA-N	316.470	3.197	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccco1	903449175	WBJOCSGSIIRFKC-PBHICJAKSA-N	301.434	3.299	10	20	DGCD	
Cc1cc(CN[C@@H]2C[C@@H](C)n3ncnc32)c(C)n1-c1ccccc1	926765518	WXCBZVQBQDFYBW-RDTXWAMCSA-N	321.428	3.481	10	20	DGCD	
COc1cccc([C@H](C)NCCc2nc3c(s2)CCC3)c1O	926929462	OBGCYJACUUTBPX-NSHDSACASA-N	318.442	3.239	10	20	DGCD	
CCCN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCN(C)C1	1118201661	LUHRZBZECRNLOA-LJQANCHMSA-N	301.478	3.203	10	20	DGCD	
Cn1nc(CNCc2ccc(N3CCCC3)cc2)cc1C1CC1	1119683078	HAWMEPICEXOMKG-UHFFFAOYSA-N	310.445	3.188	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1C[C@H](C)N(C2CC2)C1	1320244088	AFIREOXIVSEHCE-CTASWTNQSA-N	300.446	3.464	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[C@H](F)C1	1328656039	CVHBMCIKBIFAEU-RYUDHWBXSA-N	300.761	3.126	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CC[C@H](C)C1	1344502308	HLBLIFLCXCKBOB-NSHDSACASA-N	306.435	3.214	10	20	DGCD	
CCSc1ccccc1CCNC(=O)Cc1ccc(N)cc1	1354931942	PRAFMGMAWRPXEE-UHFFFAOYSA-N	314.454	3.282	10	20	DGCD	
CCOc1ccc(CNc2ccc(C(=O)O)cc2OC)c(O)c1	1597105028	GIYRFVDSMLLSAM-UHFFFAOYSA-N	317.341	3.110	10	20	DGCD	
Cc1ncsc1CCCSc1ncc(C(=O)O)s1	1600759334	FKNANYQVNXQUPH-UHFFFAOYSA-N	300.430	3.331	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2csc(C(=O)O)c2)c1	1607277049	NEZCRCLCWJUFQU-VIFPVBQESA-N	307.371	3.011	10	20	DGCD	
CC[C@H](NCc1cnn(C)c1)c1cc(Br)ccc1O	41158856	AOHFEXPHHNLQIL-ZDUSSCGKSA-N	324.222	3.129	10	20	DGCD	
CCCCc1noc(CN(C)c2ccc(OC)c(OC)c2)n1	63617280	FWDHWVMDLMEIPH-UHFFFAOYSA-N	305.378	3.066	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCSC(C)(C)C	67468471	UKPWDDZWEIELDX-UHFFFAOYSA-N	323.506	3.426	10	20	DGCD	
CCC[C@H](C)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84814959	BWNOUVKJPKOZKR-AWEZNQCLSA-N	322.424	3.309	10	20	DGCD	
CCOc1cccc(CN2CC[C@H](CN3CCCCC3)C2)c1O	93683567	IQMUSDSWOFYZLF-MRXNPFEDSA-N	318.461	3.099	10	20	DGCD	
CC[C@@H](NC[C@H](C)CCO)c1cc(Br)ccc1O	97439471	OOKWEVKXIKGQBE-ZWNOBZJWSA-N	316.239	3.214	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC=CCC2)c1	103611356	KFNMDKFDFRGFOU-OLZOCXBDSA-N	304.390	3.117	10	20	DGCD	
Cc1cccc(C)c1NC(=O)CN(C)c1ccc2c(c1)OCO2	121290105	YXPNILYLOYLRGX-UHFFFAOYSA-N	312.369	3.107	10	20	DGCD	
Cc1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1	125082027	DULQAPGQTZCOOT-UHFFFAOYSA-N	321.424	3.371	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)cc(C)n2)c1	126750437	HPZPCJIYINXPEN-GFCCVEGCSA-N	315.373	3.295	10	20	DGCD	
C[C@H](c1ccco1)N(C)Cc1ccc(N2CCOCC2)c(F)c1	131083665	LXDHGCUZMSQONV-CQSZACIVSA-N	318.392	3.448	10	20	DGCD	
COc1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)cc1	159479327	XUXANCBFLNNJLH-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)ccc(F)c1F	163710688	VRNRAUMWLPTKTG-UHFFFAOYSA-N	322.330	3.442	10	20	DGCD	
CCc1nc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cs1	181069894	QIZDOBPHOOTVPW-STUBTGCMSA-N	318.398	3.007	10	20	DGCD	
C[C@H](NCCN(C)Cc1ccc(F)cc1)c1ccccc1O	183544318	IVKJKFJGOTXFMM-AWEZNQCLSA-N	302.393	3.314	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1ncc(-c2ccccc2)o1	193084874	OCPVXBXAZPSBSC-LLVKDONJSA-N	324.336	3.244	10	20	DGCD	
C[C@@H](CCNCc1ccc(N(C)C)cc1)NC(=O)OC(C)(C)C	222088356	CSGKYOQAIAVHQW-AWEZNQCLSA-N	321.465	3.146	10	20	DGCD	
COc1cccc(CNc2nc(C(F)(F)F)cs2)c1O	269271102	DJKJZULKLOCCMW-UHFFFAOYSA-N	304.293	3.488	10	20	DGCD	
C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(N(C)C)cc1	271640813	DSYRLFOIGJJJOC-PBHICJAKSA-N	304.434	3.089	10	20	DGCD	
CC1([C@@H]2CCCN(Cc3c(O)cccc3Cl)C2)OCCO1	273224389	VVGYBDUOSXHRNZ-GFCCVEGCSA-N	311.809	3.021	10	20	DGCD	
CCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1	278556109	ARZOFDUEEWWEDU-UHFFFAOYSA-N	302.330	3.484	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2C)c(C)n1-c1ccccc1	278783510	YLLXNQFVVDBSAW-UGSOOPFHSA-N	312.413	3.249	10	20	DGCD	
CC(=O)C1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1	292664242	DEOGBPQDBPWZFB-UHFFFAOYSA-N	314.429	3.005	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNc2ccc([C@H]3CCOC3)cc2)c1	293052601	RPHFILIAJSQOJJ-ZDUSSCGKSA-N	314.341	3.416	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)C2CCN(C)CC2)cc1	396445356	DDICVORLIFMLIK-MRXNPFEDSA-N	303.494	3.353	10	20	DGCD	
Cc1c(CNC(=O)c2ncoc2C2CC2)n(C)c2ccccc12	556815933	HWWHPXHCOUJZPD-UHFFFAOYSA-N	309.369	3.282	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(Cl)c1O	588407664	YOKJPHPLORXAQF-ALCCZGGFSA-N	305.717	3.109	10	20	DGCD	
Cc1ccc(O)c(CN[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1	686279061	IIOCTLIUGVLTHM-CYBMUJFWSA-N	320.433	3.046	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC(CN2CCCCCC2)CC1	732271399	VUOIPQMKCPKNFU-UHFFFAOYSA-N	322.474	3.182	10	20	DGCD	
COc1ccc(OCCN(C)c2ccc(OC)cc2OC)cc1	752127084	YBZUMCNPARLQOA-UHFFFAOYSA-N	317.385	3.228	10	20	DGCD	
COc1ccc(N2CCN(Cc3cccc(F)c3)CC2)cc1F	753861526	RJEVJVAUXKOXGR-UHFFFAOYSA-N	318.367	3.296	10	20	DGCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)[C@@H](c2ccccc2)CO1	754907756	PCOFYEPJLPPLKY-BXUZGUMPSA-N	303.383	3.056	10	20	DGCD	
COc1ccc(COCCN(C)c2ccc3c(c2)OCO3)cc1	756654006	AKWGOMSNDRZWAM-UHFFFAOYSA-N	315.369	3.077	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(OC)c(C)c1	757798983	GLTZAKFPLVTACX-YJBOKZPZSA-N	305.418	3.215	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCCc2ccnn2C)cc1	759917082	ZVXWABUFOSFUEN-UHFFFAOYSA-N	323.396	3.227	10	20	DGCD	
COc1ccc(N(C)Cc2nn(C)c3ccccc23)cc1OC	761220486	GKOFNEBYWRFAFQ-UHFFFAOYSA-N	311.385	3.227	10	20	DGCD	
CN1C(=O)/C(=C\c2cncs2)c2cc(Br)ccc21	767717948	IBFMCAWMNFVXGW-WZUFQYTHSA-N	321.199	3.423	10	20	DGCD	
COc1cc(Cl)ccc1NC(=O)c1ccc(C)c(O)c1O	775346140	KAVAKKQQOQSGHP-UHFFFAOYSA-N	307.733	3.321	10	20	DGCD	
CCOC[C@@H](O)CN(C)c1ccc(OCc2ccccc2)cc1	781962689	CPNCIFZRFFRFGZ-SFHVURJKSA-N	315.413	3.099	10	20	DGCD	
Oc1cc2c(cc1CN1CCc3cc(Cl)ccc3C1)OCO2	790441937	RWLDBOOZPNSIRW-UHFFFAOYSA-N	317.772	3.333	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H](C)Cc2cccc(F)c2)c(O)c1	794382746	GMRPTIVVVMFWAQ-LBPRGKRZSA-N	317.360	3.035	10	20	DGCD	
CC[C@@H](N[C@H](CO)c1ccccc1OC)c1ccc(F)cc1O	796818468	UTHJHTZNBBGNRD-HZPDHXFCSA-N	319.376	3.314	10	20	DGCD	
COc1cccc(O)c1CNC[C@@H]1CCCN1C1CCCCC1	797889766	DUNNITALRWIILL-INIZCTEOSA-N	318.461	3.288	10	20	DGCD	
CN1CCC2(CCCN(Cc3ccc(N(C)C)c(F)c3)C2)CC1	798956741	MBBKQRRGVXNYAY-UHFFFAOYSA-N	319.468	3.200	10	20	DGCD	
C[C@H]1CC(CCNC(=O)N(C)Cc2ccccc2O)C[C@H](C)O1	802508858	LPRHBXPIRVAIFR-KBPBESRZSA-N	320.433	3.127	10	20	DGCD	
CC[C@H](C)[C@H](OC)C(=O)NCc1cc(Cl)cc(Cl)c1O	807838920	SZUDWRBCNQGLKR-SDBXPKJASA-N	320.216	3.376	10	20	DGCD	
C[C@H]1C[C@@H](NC[C@H]2CC[C@H](CN)CC2)c2c(O)ccc(F)c21	817974813	FRZJFALGFNGZEX-PWNZVWSESA-N	306.425	3.434	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(C3CC3)C3CC3)C2)cc1	818341665	CMNCCTHUJUWOOP-AWEZNQCLSA-N	300.446	3.300	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)CCCC3CC3)C2)cc1	819591916	XTLUGIFCKBZWRR-MRXNPFEDSA-N	316.445	3.218	10	20	DGCD	
COCCCn1cc(C)c(NCc2cccc(Cl)c2O)n1	826687684	YAHCYGBESLRQCD-UHFFFAOYSA-N	309.797	3.199	10	20	DGCD	
COc1ccc(O)c(CNCCc2cn(C)c3ccccc23)c1	827251762	MQAGKQDNLZKXDU-UHFFFAOYSA-N	310.397	3.225	10	20	DGCD	
COc1ccc(N(CC[S@](C)=O)Cc2cccs2)cc1	828273511	MDIHFTBUHBCZBM-FQEVSTJZSA-N	309.456	3.142	10	20	DGCD	
Cc1cc(CN[C@@H](CCO)C(C)C)ccc1N1CCCCC1	828803006	ZSJGXVWNXBFGCM-SFHVURJKSA-N	304.478	3.482	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1	831959921	BZZWVNIDSXJYCJ-CRAIPNDOSA-N	312.388	3.403	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(C(=O)O)cc2F)c1	833733893	UZBSATRXUVLHGJ-SNVBAGLBSA-N	319.332	3.089	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc2c(cn1)CCC2	836697960	CMVVGKCVJFOPSA-UHFFFAOYSA-N	324.428	3.266	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cc(COC)on2)cc1	838786806	DXWOJLIHRANKPC-UHFFFAOYSA-N	317.433	3.299	10	20	DGCD	
CCC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C1CCC1	839193406	YFJFBAUOXWGBGM-CYBMUJFWSA-N	308.378	3.367	10	20	DGCD	
Cc1nc([C@H](C)N(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1	839459529	NGYMKMLQLVRQFB-AWEZNQCLSA-N	313.449	3.296	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCC(F)(F)F	839917508	FERFBUDXAUHXCQ-GFCCVEGCSA-N	316.367	3.451	10	20	DGCD	
CCN(CC)c1ccc(CNC(=S)NC2(C)CCC2)cc1	840718091	WLTHGGRSIKDCHN-UHFFFAOYSA-N	305.491	3.440	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCOC[C@@H]1c1ccco1	840915103	KBPWHXDLNKRJMM-QGZVFWFLSA-N	300.402	3.228	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC(C2(C)OCCO2)CC1	840918460	UERDQYVQJYIWSG-UHFFFAOYSA-N	318.461	3.036	10	20	DGCD	
CCCOc1ccc(CNCCc2ccc(N)cc2)cc1OC	841035768	INEGZHFBBWHDJY-UHFFFAOYSA-N	314.429	3.399	10	20	DGCD	
CCN(Cc1cccs1)C(=O)NCCc1ccc(N)cc1	841962146	MVHACPDOQRYSLD-UHFFFAOYSA-N	303.431	3.105	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O	844972287	DRFWFSWRZSXINB-MRVPVSSYSA-N	323.780	3.211	10	20	DGCD	
Cc1nn2c(CNCc3cc(Cl)ccc3O)c(C)nc2s1	846059067	XQPXWHRRAKENEG-UHFFFAOYSA-N	322.821	3.056	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](CCO)c2ccccc2F)c1O	846175147	XFEQSVWBKVQCOD-WBMJQRKESA-N	319.376	3.314	10	20	DGCD	
COc1cc(CNC2(CN(C)C)CCC2)c(O)c(C(C)(C)C)c1	850286063	WKANBGNLHHHNQG-UHFFFAOYSA-N	320.477	3.272	10	20	DGCD	
CC(C)CC[C@@H](CO)NCc1c(O)cccc1Br	858241710	YQETVYXDAPDJMT-NSHDSACASA-N	316.239	3.041	10	20	DGCD	
Cc1ccc([C@@H](NC(=O)CN(C)c2ccc(N)cc2)C2CC2)cc1	863557938	YEOMUQSYMRVPAR-HXUWFJFHSA-N	323.440	3.281	10	20	DGCD	
C[C@H](NC[C@H]1C[C@H](O)C1)c1ccc(N2CCCCCC2)cc1	872125797	DVPZRRKAWPBFMG-BXWFABGCSA-N	302.462	3.489	10	20	DGCD	
Cc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(O)c1	876893929	JXIUEGDOHQKPNC-UHFFFAOYSA-N	310.441	3.455	10	20	DGCD	
COc1c(C)cnc(CN(C)Cc2c(C)cccc2O)c1C	877320332	XYFGTBOGNNPLQU-UHFFFAOYSA-N	300.402	3.353	10	20	DGCD	
CC(C)(O)[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1	877796606	KHCADOQXTAAERC-JTQLQIEISA-N	301.789	3.168	10	20	DGCD	
Cc1cc(N(C)C)ccc1[C@H]1NC(C)(C)C(=O)N1c1ccccc1	877857430	RAKXZIYVUKIWRG-SFHVURJKSA-N	323.440	3.475	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)COc2ccccc2)c1O	894207795	ZBRHCZFTOVRNEW-AWEZNQCLSA-N	301.386	3.266	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](C)c2c(C)noc2C)c1O	894353829	DPXGVDXSAOGLEO-NSHDSACASA-N	304.390	3.207	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2cc(N(C)C)ccn2)cc1	903201897	QOFYAMOBDHDTDZ-OAHLLOKOSA-N	312.461	3.455	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNCc3ccnn3C)c2C)c1	915228698	TWHIXCZOGUVSHS-UHFFFAOYSA-N	308.429	3.426	10	20	DGCD	
CCCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@H](C)C1	1035876991	ZAFRLJNEXNYAFP-WBVHZDCISA-N	318.461	3.130	10	20	DGCD	
Nc1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)cc1	1120262863	FUGYRIWLRFXXCW-QGZVFWFLSA-N	302.805	3.496	10	20	DGCD	
CCOc1ccc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c(O)c1	1324759903	VKBOTRBQYGAHAC-UHFFFAOYSA-N	317.433	3.444	10	20	DGCD	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCc1ccc(N)cc1	1335736680	FSHGTIHRQCTKSH-PBHICJAKSA-N	309.413	3.356	10	20	DGCD	
Nc1ccc(CNC(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cc1	1338730532	BKSYPNTUUWPEIM-MJGOQNOKSA-N	323.440	3.479	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](C(N)=O)c1ccccc1	1339657803	HLZQEYUJCOBHES-IAISJRAMSA-N	310.397	3.065	10	20	DGCD	
CC[C@H]1CC[C@H](C)N1Cc1ccc(N2CCN(C)CC2)c(F)c1	1347236159	WNBMRQJNGFUVKJ-RDJZCZTQSA-N	319.468	3.340	10	20	DGCD	
C[C@H]1CC2(CCC2)CN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1604685400	MYTQWXXUEXNMEO-RNZFLTOJSA-N	316.357	3.462	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N(C)CC(F)F)cc1F	66926900	FKJRWAQZXRFEAV-UHFFFAOYSA-N	317.355	3.078	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@H](O)COc1ccccc1	68973689	BGKYKXYVSIHNFQ-KRWDZBQOSA-N	315.413	3.044	10	20	DGCD	
CCN(CC)c1ncc(CNCc2ccc(N(C)C)cc2)s1	79076919	APGKRHLFSIXXHV-UHFFFAOYSA-N	318.490	3.345	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCO[C@H](C)CC(C)C)c1	88360179	UYVXUOOKDSSIOQ-ZIAGYGMSSA-N	323.433	3.419	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCOC[C@@H]1C1CC1	93645257	JWBGAPRFTYGPAT-LJQANCHMSA-N	300.446	3.288	10	20	DGCD	
CCOc1ccccc1NC(=O)NCc1cccc(OC)c1O	104976347	WEVAAHHCUTWQSQ-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
CC(C)(C)c1cnc(SCCCN2CCOCC2)s1	164036297	AJVQFIMQYOAERD-UHFFFAOYSA-N	300.493	3.255	10	20	DGCD	
CC[C@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1	172698039	VGYXKOZKFWTIIL-LSDHHAIUSA-N	301.434	3.297	10	20	DGCD	
O=C(CNc1ccccc1)NCc1ccc(N2CCCC2)cc1	177057482	FXEJWLHHARJNGJ-UHFFFAOYSA-N	309.413	3.015	10	20	DGCD	
C[C@H](NCC1(C)OCCO1)c1ccc(N2CCCCC2)cc1	179570849	BJSJLCQKZVXPAH-HNNXBMFYSA-N	304.434	3.091	10	20	DGCD	
CC(C)N1CC[C@@H](N[C@@H](C)c2ccc3ccccc3c2O)C1=O	186048149	NINODEFMXMBVNH-SUMWQHHRSA-N	312.413	3.205	10	20	DGCD	
C[C@@H](NCc1cc(F)ccc1O)[C@H](c1ccccc1)N(C)C	186457421	WESWTOPVHCWSRG-FZKQIMNGSA-N	302.393	3.312	10	20	DGCD	
COCCCCCNCc1cc(Br)ccc1O	227442553	ISEOFAGFQRPTIA-UHFFFAOYSA-N	302.212	3.061	10	20	DGCD	
CCC(CC)c1cc(CNC(=O)Cc2ccc(N)cc2)on1	236721018	WWJLJGFYCZATMG-UHFFFAOYSA-N	301.390	3.019	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc(F)cc1F	277103452	PNZSNXMJMXKDDL-UHFFFAOYSA-N	319.355	3.088	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2cccc(F)c2)c1O	278257127	PXICRCSNBUBMBU-UHFFFAOYSA-N	320.320	3.080	10	20	DGCD	
CN(C)C(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cc1	278816442	ZBIMTAYLGQUAJX-UHFFFAOYSA-N	315.392	3.206	10	20	DGCD	
C[C@H](NCCC1(O)CCOCC1)c1ccc2ccccc2c1O	287481137	MUQZGYKGJUBKHI-AWEZNQCLSA-N	315.413	3.128	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](N3CCCC3)[C@H]2C)c1O	289915108	VHVRPNVRUQAKPW-DOMZBBRYSA-N	324.852	3.113	10	20	DGCD	
Cc1nc(C2CC2)ccc1C(=O)NCc1ccc(N(C)C)cc1	294314342	HCVKRQVVDWHULN-UHFFFAOYSA-N	309.413	3.263	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCCC1(F)F	296021737	LDNANFMXGIHGBS-PZBABLGHSA-N	311.328	3.053	10	20	DGCD	
Cc1noc(C2(C)CCN(Cc3cc(Cl)ccc3O)CC2)n1	374737562	NRJYHZWOUAJLKG-UHFFFAOYSA-N	321.808	3.291	10	20	DGCD	
CC[C@@H](C)[C@H](CNCc1ccc(Br)cc1O)OC	691470249	SSMDHSQSOQRZKY-YGRLFVJLSA-N	316.239	3.305	10	20	DGCD	
CN(Cc1ccc(Br)cc1O)C[C@@H]1CCCOC1	691677337	NBEPOZDVTVAPBK-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
Cc1ccc(OCCCCNC(=O)c2cc(O)cs2)cc1	731871580	JDUSMCRVLQHCNO-UHFFFAOYSA-N	305.399	3.351	10	20	DGCD	
C[C@H](CNC(=O)c1cc(O)cs1)COCc1ccccc1	732276297	PYSDNKSPQFEPGV-GFCCVEGCSA-N	305.399	3.036	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2n[nH]cc2c1	746688889	KSAVNOWZJYWPEZ-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
CC[C@@H]1CC(=O)N(CN(Cc2ccc(N(C)C)cc2)C(C)C)C1	755913329	NRTNJVSBGGBLLM-MRXNPFEDSA-N	317.477	3.179	10	20	DGCD	
C[C@@H](NCC1(CN(C)C)CCCC1)c1cc([N+](=O)[O-])ccc1O	760898251	PJSJBKSMIOZLIL-CYBMUJFWSA-N	321.421	3.073	10	20	DGCD	
COc1cc(Cl)cc(CNc2ccc(N(C)C)cn2)c1O	761216669	VMDLHGMFPVTBDB-UHFFFAOYSA-N	307.781	3.127	10	20	DGCD	
CO[C@]1(CN[C@H](C)c2ccc(Cl)c(Cl)c2O)CCOC1	763575588	YJFVLWSWOQXUAN-OTYXRUKQSA-N	320.216	3.155	10	20	DGCD	
COC[C@](C)(O)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1	765937629	OXJUXLYZVKJGGM-QFBILLFUSA-N	320.477	3.115	10	20	DGCD	
CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC(C)(C)C1	768645793	OTDQTXLPRUIITN-VURMDHGXSA-N	303.402	3.396	10	20	DGCD	
CN1CCN(Cc2ccc(N3CCCCC3)cc2)C(C)(C)C1	769446040	KQTQUZMHSLEADW-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
COc1cccc2c1nc(-c1ccc(N3CCOCC3)cc1)n2C	769729109	PHQFDRVDXLFIOC-UHFFFAOYSA-N	323.396	3.086	10	20	DGCD	
CCO[C@@H](CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C	773023384	XGDQHRQHLXKRIV-PBHICJAKSA-N	306.450	3.381	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]2C2CCCC2)c1O	774854622	YKHCRQDSZKTVPJ-AWEZNQCLSA-N	320.389	3.464	10	20	DGCD	
CC[C@H](N[C@@H](CCO)COC)c1ccc(Cl)c(Cl)c1O	775510297	ZWPJNKAMTVIWJL-CABZTGNLSA-N	322.232	3.137	10	20	DGCD	
CN(Cc1ccc2c(c1)OCCO2)Cc1cccc(Cl)c1O	775643013	KYUHTGLQLSGSKA-UHFFFAOYSA-N	319.788	3.449	10	20	DGCD	
CCc1cccc(CC)c1S(=O)(=O)Nc1ccc(O)cc1	776745308	JJGXJHGNKDQYKT-UHFFFAOYSA-N	305.399	3.318	10	20	DGCD	
Cc1ccc2c(c1)SCCCN2C(=O)/C=C/c1cnn(C)c1	778279683	GTEUIMHAGCSFDN-FNORWQNLSA-N	313.426	3.271	10	20	DGCD	
COCCOc1cccc(CN[C@H](C)c2ccccc2O)c1	783505998	YEPOTPMWMJKNLD-CQSZACIVSA-N	301.386	3.268	10	20	DGCD	
C[C@H](NCC1CCOCC1)c1cccc(C(F)(F)F)c1O	788586230	ZPGJVKWKKULCBN-JTQLQIEISA-N	303.324	3.488	10	20	DGCD	
CC1CCN(c2ccc(CNC(=S)NC3(C)CC3)cc2)CC1	789230970	GEWCYLWFVHAFBU-UHFFFAOYSA-N	317.502	3.440	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)[C@@]2(C)CC2(F)F)C2CC2)cc1	817427189	JHLNKMZZHASRHJ-MRXNPFEDSA-N	308.372	3.289	10	20	DGCD	
Cc1cn2ccc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc2n1	822084063	ZXVKZCJSMNCRKQ-AWEZNQCLSA-N	322.412	3.200	10	20	DGCD	
OCC1([C@@H](NCc2ccccc2O)c2cccs2)CCC1	825311281	IBIDWYXAZNMTDN-INIZCTEOSA-N	303.427	3.447	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1O	827941762	XQIAUSLUJNAIOU-LLVKDONJSA-N	324.380	3.113	10	20	DGCD	
C[C@@H](NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1)c1ccccc1O	827952584	XXYBEAJBPVEKAJ-BFUOFWGJSA-N	324.380	3.153	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCO[C@H](c3nccn3C)C2)c(O)c1	834910964	HADDUTGDVOWPSY-ZQIUZPCESA-N	315.417	3.005	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1	839190795	BZJXYVXYHDFAPH-RBUKOAKNSA-N	302.462	3.126	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](N2CCCCC2)C1	840913543	GWRMBFPTXMJXCG-IBGZPJMESA-N	301.478	3.121	10	20	DGCD	
C[C@@H](CCc1ccc2c(c1)OCO2)NCCc1ccc(N)cc1	841034197	GNQBCSPRSAIKEL-AWEZNQCLSA-N	312.413	3.151	10	20	DGCD	
C[C@H](NCCc1cn2c(n1)SCC2)c1ccc(Cl)cc1O	841750790	BINRGFDGAZVIMJ-JTQLQIEISA-N	323.849	3.241	10	20	DGCD	
CC[C@H](C)C[C@H](CO)NC1CCN(c2ccc(OC)cc2)CC1	842756570	NYKWBPZPXGLLKE-DOTOQJQBSA-N	320.477	3.051	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1[C@H]1CCCOC1	843417994	YJFYDSZGKYXYKD-PKOBYXMFSA-N	302.462	3.452	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C)[C@@H]2CCN)c1O	846226379	LSUNYZQWXQGEQJ-ZBEGNZNMSA-N	324.852	3.198	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CCCCC(=O)O)cc1	848447937	IDCWGPCDENEILO-UHFFFAOYSA-N	320.433	3.136	10	20	DGCD	
CCc1cccc(CN2CC[C@@](CO)(c3ccccc3)C2)c1O	848912506	GWSKHGCZOHYLSK-HXUWFJFHSA-N	311.425	3.091	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](O)CNCc1c(O)cccc1Cl	850411995	QRBYNSFOMKIVLL-SJCJKPOMSA-N	305.805	3.300	10	20	DGCD	
COc1ccccc1CCC(=O)NCc1cc(Cl)ccc1O	857547642	NQDCVZCASFNACB-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
Cn1nc(NCc2c(O)cccc2Br)cc1C1CC1	858165079	AIMDVWVHHGHEMD-UHFFFAOYSA-N	322.206	3.378	10	20	DGCD	
COC1(CNC(=O)N[C@H](C)c2ccccc2O)CCCCC1	868551800	WOOCNBWPMYMJJQ-CYBMUJFWSA-N	306.406	3.102	10	20	DGCD	
Oc1ccc2oc3c(c2c1CN1C[C@H]2COC[C@H]2C1)CCCC3	872785498	SJWHGHWVLSYSFD-BETUJISGSA-N	313.397	3.095	10	20	DGCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1	876524889	ZZBHFRSCOHQQJJ-UHFFFAOYSA-N	302.462	3.412	10	20	DGCD	
Cc1ccc(CNc2cc(F)cc(N3CCOCC3)c2)c(O)c1	876855758	BLOSHDYXIAGTIJ-UHFFFAOYSA-N	316.376	3.288	10	20	DGCD	
CN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(N)cc1	877077778	UJDRISBWUQHDMA-QGZVFWFLSA-N	323.440	3.144	10	20	DGCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCN(C2CCCCC2)C1	883174494	LOPNQVVDAXSKPN-CQSZACIVSA-N	310.388	3.167	10	20	DGCD	
COCc1nccc(NCc2ccc(N3CCCCC3)cc2)n1	892079009	VZYZBLSCTFYSHS-UHFFFAOYSA-N	312.417	3.225	10	20	DGCD	
COc1ccc(CN[C@H]2CCCO[C@H]2CC(C)C)c(O)c1OC	893684935	IEVXLIBNQFRTAQ-HOCLYGCPSA-N	323.433	3.093	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC/C=C/Cl	899050407	BZSBEUAZLLMIFO-BJMVGYQFSA-N	309.841	3.425	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1cccc(F)c1)c1cc(F)ccc1O	903312276	YKLMHLYYWIXEKK-APPDUMDISA-N	307.340	3.229	10	20	DGCD	
C[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1	920232376	QAHMDRZPPPVPNH-HOCLYGCPSA-N	303.450	3.378	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccc(CC(N)=O)cc1	1117671851	RBEAXLQTMORERM-XJKSGUPXSA-N	324.424	3.067	10	20	DGCD	
CCOCCC1(CNCc2cc(F)c(N(C)C)cc2F)CC1	1118800821	DMDTURKGLKPOLK-UHFFFAOYSA-N	312.404	3.327	10	20	DGCD	
O[C@H]1c2ccccc2C[C@@H]1NCc1ccc(N2CCCC2)cc1	1119987561	YEQBVODLAOKDFJ-PMACEKPBSA-N	308.425	3.035	10	20	DGCD	
CCn1c(-c2sccc2O)nnc1N1Cc2ccccc2C1	1263010770	HSJJEIOTPHGDQE-UHFFFAOYSA-N	312.398	3.252	10	20	DGCD	
c1cc(NCc2ccc(N3CCCC3)cc2)cc(-n2ccnn2)c1	1319841402	DZALGWPPRSJDRK-UHFFFAOYSA-N	319.412	3.480	10	20	DGCD	
Cc1ccc(C[C@@H](C)NC(=O)NCc2ccc(N)cc2)c(C)c1	1335478864	WSMKQLVIYIDROR-OAHLLOKOSA-N	311.429	3.316	10	20	DGCD	
C[C@@H]1CN(C)CC[C@H]1N(C)Cc1ccc(N2CCCC2)cc1	1343352647	BZTIGDVKMLVCCY-VQIMIIECSA-N	301.478	3.059	10	20	DGCD	
O=C(NCc1ccc2cccnc2c1O)c1cc2c(o1)CCCC2	1348746443	IOOKUPQIWAGNGV-UHFFFAOYSA-N	322.364	3.342	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@H](CCC(=O)O)C2)c(Cl)c1	1594327276	VQXRLPHBMAXIIE-GFCCVEGCSA-N	311.809	3.431	10	20	DGCD	
COc1cc(NCc2c(O)cccc2Cl)ccc1C(=O)O	1599443719	GCGCUAANADOULD-UHFFFAOYSA-N	307.733	3.365	10	20	DGCD	
C[C@H](NCc1ccc(C(=O)O)c(F)c1)c1ccc(N(C)C)cc1	1604351285	ZJMWOGOGQBZTJD-LBPRGKRZSA-N	316.376	3.441	10	20	DGCD	
CCN(C)c1ccc(CNC(C)(C)C[C@@H](C)C(=O)O)c(C)c1	1776857137	QZVJFIXHROMBII-CQSZACIVSA-N	306.450	3.430	10	20	DGCD	
CC[C@@H](NC[C@H]1CCCO1)c1cc(Br)ccc1O	19963690	VOHFTGKOOKSNFN-DGCLKSJQSA-N	314.223	3.374	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1	52396807	JTUVRLUXILSTFF-UHFFFAOYSA-N	313.401	3.246	10	20	DGCD	
NCC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	70169474	JJCVAQVYUPNASK-SNVBAGLBSA-N	303.233	3.260	10	20	DGCD	
CC[C@@H](CSC)N(C)C(=O)NCc1ccc(N(C)C)cc1	91045585	WUINUDLANRROTC-AWEZNQCLSA-N	309.479	3.036	10	20	DGCD	
COc1cccc(CNc2cc(C)c(Br)cn2)c1O	91479327	FLIHNKDBMAWCDQ-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
COc1cccc(CNC(=O)c2cc(C)n(C(C)C)c2C)c1O	105652468	BACMANXVYOZKFB-UHFFFAOYSA-N	316.401	3.330	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C	106856776	PQZMJKQPOACTBB-OAHLLOKOSA-N	320.433	3.108	10	20	DGCD	
COc1cccc(CNc2ccc(Cn3cccn3)cc2)c1O	119660905	DNMZBQRRBXUHGP-UHFFFAOYSA-N	309.369	3.258	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2nccnc2c1	120576682	AMNUAQSXXGHXSY-UHFFFAOYSA-N	321.380	3.388	10	20	DGCD	
CN(C)C(=O)c1ccc(NCc2cccc(Cl)c2O)cc1	164956578	QKOZDGANCKTVLY-UHFFFAOYSA-N	304.777	3.360	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(F)cc1F	173206199	VFQTVLSLKHFMTD-UHFFFAOYSA-N	318.323	3.070	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1	175012787	GMOQLPMIKZEAHY-PZJWPPBQSA-N	320.436	3.273	10	20	DGCD	
COc1cc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F	186054889	FQNDPHQKZKKLPT-GQCTYLIASA-N	317.316	3.206	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](C)c2c(C)noc2C)c1	186157678	NYSYMQMYMJXKDU-GHMZBOCLSA-N	304.390	3.460	10	20	DGCD	
COc1ccc(OC)c(CNCc2c(O)cccc2Cl)c1	264999346	ZDFQAOWEGWFPPC-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
OC[C@H](CNCc1cccc(Cl)c1O)Cc1ccc(F)cc1	271945345	XHPINCZXNMSZOP-ZDUSSCGKSA-N	323.795	3.126	10	20	DGCD	
Oc1ccccc1CN(C[C@H]1CCCO1)c1cncc(Cl)n1	278850052	LSSLNSCRDLLWRJ-CYBMUJFWSA-N	319.792	3.021	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)Cc2cccs2)c1O	278917736	UKSDULNMNGNLFF-JTQLQIEISA-N	322.386	3.091	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1c(F)cncc1F	285418543	GJZJPMOMAAZDJS-JTQLQIEISA-N	309.335	3.416	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cc(F)ncc1F	291469700	OXIHKPDFOYKDKG-UHFFFAOYSA-N	305.372	3.448	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H](CC)c1ccc(F)cc1O	293678565	KDNMVFHGVVAMKB-SWLSCSKDSA-N	310.413	3.124	10	20	DGCD	
FC(F)Oc1ccc(N2CCC(Nc3ncccn3)CC2)cc1	373982975	PABISQHRCODHJV-UHFFFAOYSA-N	320.343	3.159	10	20	DGCD	
Cc1c(CNC(=O)COCC2CCCC2)n(C)c2ccccc12	456022822	JHQFPAIUICAMKQ-UHFFFAOYSA-N	314.429	3.310	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)/C=C/C1CCOCC1	735858432	ZPKKCDMYZDHEPV-BQYQJAHWSA-N	303.402	3.114	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC(C)(C)C2)cc1	745656248	RPVLDKVZWDHESK-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@H]2CN(CC(C)C)CCO2)c(O)c1C	756355679	QSJMBVNHCZRHFQ-IRXDYDNUSA-N	320.477	3.016	10	20	DGCD	
CCN1CCC[C@@H]1CN[C@H](C)c1cc2c(cc1O)CCCC2	756356366	AKJRDKCWBPVHNR-RHSMWYFYSA-N	302.462	3.406	10	20	DGCD	
C[C@H](NCc1cn2ccccc2n1)c1cc(F)cc(F)c1O	756362155	IXLUGNBZZYUINA-JTQLQIEISA-N	303.312	3.169	10	20	DGCD	
COc1cc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)ccn1	756402765	YKGBQBNQSJKSHG-GXFFZTMASA-N	302.349	3.273	10	20	DGCD	
C[C@H]1N(Cc2cc(C(C)(C)C)cc(O)c2O)CCOC1(C)C	763209996	FSNZQSQDXVYJCZ-GFCCVEGCSA-N	307.434	3.395	10	20	DGCD	
CCN(Cc1ccccc1C)Cc1cc2c(cc1O)OC[C@H]2O	768440456	WHXVPGKPBDAFOK-GOSISDBHSA-N	313.397	3.149	10	20	DGCD	
CC[C@H](C)N(OC)C(=O)c1cc(C)n(-c2ccccn2)c1C	768901413	YTNQRPGCVKNWLL-LBPRGKRZSA-N	301.390	3.291	10	20	DGCD	
C[C@H](NCC(C)(C)CO)c1ccc(N2CCCCC2)c(F)c1	773069330	AZQRGAYPJRXSKZ-AWEZNQCLSA-N	308.441	3.485	10	20	DGCD	
CC[C@H](NC[C@@](C)(O)C(F)(F)F)c1cc(Cl)ccc1O	775525311	KKCYHLWVYUJOTR-CMPLNLGQSA-N	311.731	3.400	10	20	DGCD	
Fc1ccc([C@H](NCc2ccc3c(c2)CCO3)c2ncc[nH]2)cc1	783236870	KGRQGNYTMKFYFQ-SFHVURJKSA-N	323.371	3.363	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)cc(OC)c2O)c(O)c1	793388553	PQMMZCNECLUBNU-UHFFFAOYSA-N	323.776	3.058	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cccc(C)c2C)c(O)c1	794762516	WJQGWOJXFSNLRO-UHFFFAOYSA-N	300.358	3.339	10	20	DGCD	
CCC[C@]1(NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCOC1	796482457	MVJZHHUYJWYUOG-AWEZNQCLSA-N	314.769	3.003	10	20	DGCD	
OCC1CCN(c2ccc(CN[C@@H]3CCC34CCC4)cc2)CC1	800475442	CCKKZXWAPYAELK-LJQANCHMSA-N	314.473	3.318	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2ncccc2N(C)C)c2c(O)ccc(F)c21	810248896	IIBLLMRYDCJUGO-DGCLKSJQSA-N	315.392	3.330	10	20	DGCD	
COc1cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c(O)cc1C	811803838	TVDVJMOYOTXOBP-CQSZACIVSA-N	321.808	3.006	10	20	DGCD	
Cc1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccc1N(C)C	815103705	SEMFKZPTJWBEHB-GOSISDBHSA-N	311.429	3.109	10	20	DGCD	
CCN1CC[C@@H](CN[C@H](C)c2cccc(C(F)(F)F)c2O)C1	815560715	NYFNUEYFTAZFIK-NEPJUHHUSA-N	316.367	3.403	10	20	DGCD	
CCOC(=O)[C@@H](NCc1cc(Cl)c(F)cc1O)C(C)(C)C	816570113	IWESOLFOVQTDMW-CYBMUJFWSA-N	317.788	3.252	10	20	DGCD	
CCN(CC(C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1	817920190	DBNGZVOKPTVAOF-UHFFFAOYSA-N	317.458	3.434	10	20	DGCD	
C[C@@H](N[C@H]1CCCNC1)c1ccc(N2CCCCCC2)cc1	817940073	DDSGCTXGUGVHHZ-AEFFLSMTSA-N	301.478	3.470	10	20	DGCD	
Cc1csc([C@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)n1	824669844	RCAQAOGQLRYILF-LLVKDONJSA-N	321.421	3.077	10	20	DGCD	
COCCN(CCOC)Cc1ccc(N2CCCCC2)c(C)c1	827316422	ALZICEPJRJYBOZ-UHFFFAOYSA-N	320.477	3.080	10	20	DGCD	
COc1ccc(N(Cc2ncnn2C(C)C)CC2CC2)cc1	831588368	YAVGULHZZDNRIP-UHFFFAOYSA-N	300.406	3.284	10	20	DGCD	
CCOc1cccc(CN[C@H](C(C)C)C2(CO)CCCC2)c1O	835065717	KXFZWOGTDHLOLY-GOSISDBHSA-N	321.461	3.458	10	20	DGCD	
CN1CCN(c2ccc(CN[C@H](C3CCC3)C3CC3)cc2)CC1	835068917	JDBYHEPLTUIJLP-HXUWFJFHSA-N	313.489	3.107	10	20	DGCD	
CC[C@@H](Nc1ccc2c(c1)nnn2C)c1ccc(F)cc1O	842900252	GQZHQMRAYGOUCG-CYBMUJFWSA-N	300.337	3.376	10	20	DGCD	
Cn1cc(CNCc2cc(Cl)ccc2O)c(C(F)F)n1	846055795	NWQQCFXKYLHRQU-UHFFFAOYSA-N	301.724	3.007	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2cc(C3CC3)no2)cc1	852211874	QFBCDUXHTGZLDW-UHFFFAOYSA-N	315.417	3.129	10	20	DGCD	
COc1ccc(CNC(=O)NCc2cc(C)cc(C)c2)c(O)c1	852536869	CTVMSTFGDPDMLV-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H]2CCCN(CC3CC3)C2)c(O)c1	853239284	DHWZJFUJTWHIMY-WBVHZDCISA-N	302.462	3.473	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cc(Cl)nc(O)n1	858571902	LTMDKOQZYRCNPG-NSHDSACASA-N	320.824	3.253	10	20	DGCD	
C[C@@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccccc1O	867988164	VBXDQQCQGSLLFX-CQSZACIVSA-N	310.397	3.484	10	20	DGCD	
CCC(O)(CC)C(C)(C)CNC(=O)N[C@H](C)c1ccccc1O	868765003	HILHVXBOVSSSGT-CYBMUJFWSA-N	322.449	3.330	10	20	DGCD	
Cc1ccc(CNC[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1	877486949	ONGMDDVJJDMDHH-SFHVURJKSA-N	310.441	3.312	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1c(O)cccc1F	886528152	HVPIGANRSQYFAW-QMTHXVAHSA-N	301.365	3.358	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(OC)c(OC)c2O)cc1F	893464056	JFEQWSFQOYELPH-UHFFFAOYSA-N	321.348	3.194	10	20	DGCD	
C[C@H](NCc1nc2c(s1)CCC2)c1cc(F)cc(F)c1O	903190575	AVGXLBDNHNSDAG-QMMMGPOBSA-N	310.369	3.466	10	20	DGCD	
CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(Cl)c(Cl)c1O	903299173	GYNVZDROBVTCPX-XXILOJSOSA-N	320.216	3.154	10	20	DGCD	
CC[C@@H](NCc1ccc2nonc2c1)c1ccc(F)cc1O	903326850	USFIVNIMNDTGCB-CYBMUJFWSA-N	301.321	3.308	10	20	DGCD	
COc1cccc(C[C@H](C)CC(=O)NCc2ccccc2O)c1	934935259	HBBMNYQGFXFHFE-AWEZNQCLSA-N	313.397	3.286	10	20	DGCD	
CCCC[C@H](CC)C(=O)NCCNCc1ccc(OC)c(C)c1	1123957414	PJQPTQRWDWHYAN-KRWDZBQOSA-N	320.477	3.426	10	20	DGCD	
Cc1cc(O)c(CN2CCCN3CCC[C@H]3C2)cc1C(C)C	1320931261	VDENBDCYBWRKME-KRWDZBQOSA-N	302.462	3.494	10	20	DGCD	
C[C@@](CC(=O)O)(NCc1ccc(N2CCCC2)cc1)C1CC1	1592328292	KOAJWMJHNGJLRL-SFHVURJKSA-N	302.418	3.020	10	20	DGCD	
CC(C)n1cc([C@@H](C)N[C@H](C)c2cc(C(=O)O)ccc2O)cn1	1593197407	JVPVOMOMWSTOBB-VXGBXAGGSA-N	317.389	3.280	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cc(C(=O)O)co1	1593304689	PHVYVORBRPDPNU-GFCCVEGCSA-N	314.385	3.211	10	20	DGCD	
CCc1oc(CNCc2cccc(Cl)c2O)cc1C(=O)O	1597805345	GAKXNVIZOCHWBL-UHFFFAOYSA-N	309.749	3.189	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2sc(C)cc2OC)c1	73110664	HZZADRYRGNWSTQ-JTQLQIEISA-N	321.398	3.270	10	20	DGCD	
C[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(N(C)C)cc1	90221162	GWJRRLXDDPKBFR-FPTDNZKUSA-N	316.470	3.341	10	20	DGCD	
COc1cccc(CN2CCO[C@@H](c3ccccc3C)C2)c1O	93478485	OPGHFHXBRVQXMX-GOSISDBHSA-N	313.397	3.283	10	20	DGCD	
CCOc1cc(CNCc2cccc(OC)c2O)ccc1OC	114505432	UVQACUVOORWTBV-UHFFFAOYSA-N	317.385	3.098	10	20	DGCD	
O=C(CCC1CC1)NCc1ccc(N2CCSCC2)cc1	115337280	YTTMZOCJVCFYEI-UHFFFAOYSA-N	304.459	3.046	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(NC(=O)c3ccccc3)CC2)c1	123084886	SHIUGZOTDFKDMV-UHFFFAOYSA-N	324.424	3.095	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)CC[C@@H](C)O)c1C	125838409	XCQJLFBBSZPFTQ-OAHLLOKOSA-N	314.429	3.245	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)CCSC)CC2)cc1	151087606	DJPPFBAJZCYUTI-AWEZNQCLSA-N	308.491	3.395	10	20	DGCD	
COCCOCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	153993970	KNNCVRNZNMJFBI-OAHLLOKOSA-N	324.440	3.130	10	20	DGCD	
CC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1	181031171	YYYISXAENWROLV-SOGBHIHOSA-N	311.381	3.249	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1ccccc1	183426684	HOWWJFPBKPAZOJ-KBPBESRZSA-N	313.397	3.339	10	20	DGCD	
COCC1=CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	185846520	RWPOTJNKORWORS-UHFFFAOYSA-N	309.793	3.027	10	20	DGCD	
Cn1c(C(C)(C)NCc2cc(F)ccc2O)nc2ccccc21	186426608	VZKSYQBNTJJXGU-UHFFFAOYSA-N	313.376	3.443	10	20	DGCD	
Nc1ccc(CC(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1	238067979	GXYQOGOGEMTRCZ-LJQANCHMSA-N	306.409	3.490	10	20	DGCD	
Cc1cc([C@](C)(O)CNCc2c(O)cccc2Cl)c(C)o1	266150780	KJVLVMBFHKNQEE-MRXNPFEDSA-N	309.793	3.253	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccco1	268805803	JFHMSPYRYBEKQJ-UHFFFAOYSA-N	300.402	3.325	10	20	DGCD	
CC[C@H](C)[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F	278446447	FWDZNLVICMYWPZ-CABZTGNLSA-N	304.312	3.168	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)c2ccccc2)c1O	278917841	ULQKVFKAKGWORG-NSHDSACASA-N	302.330	3.160	10	20	DGCD	
COCc1nc(CN[C@H](C)c2cc(Cl)ccc2O)cs1	289776655	MKZMWNCULIXNCC-SECBINFHSA-N	312.822	3.499	10	20	DGCD	
CCCOc1ccc(CN[C@H](C2CC2)C(C)(C)CO)c(O)c1	290987919	UWARRBNHKQJOGF-QGZVFWFLSA-N	307.434	3.068	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](O)Cc2cccc(F)c2)c(O)c1C	297390224	RSTQKNYNZOGKHM-RHSMWYFYSA-N	317.404	3.402	10	20	DGCD	
C[C@H]1CCC[C@]1(O)CNCc1ccc(N2CCCCC2)cc1	328182207	NPAOEOSPACUARE-LPHOPBHVSA-N	302.462	3.318	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CC([C@@H]2CCOC2)C1	369869212	YIGWPHJJGANIHX-QGZVFWFLSA-N	300.446	3.145	10	20	DGCD	
CC[C@H]1CCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	386696466	MKCYITYKMPKTMG-VFFGBVLKSA-N	304.346	3.319	10	20	DGCD	
CCOc1cccc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c1O	390164246	MRBZBIBDCOYGPO-SNPRPXQTSA-N	319.401	3.009	10	20	DGCD	
C[C@@H]1CCN(C(=O)/C=C\c2cncc(F)c2)c2c(O)cccc21	492613106	CEMQBGOWOXHRQK-FOQNGQEVSA-N	312.344	3.480	10	20	DGCD	
CN(C)c1ccc(CNC(=S)Nc2ccc(Cl)nc2)cc1	727072840	QFJCILYTJNIKNJ-UHFFFAOYSA-N	320.849	3.288	10	20	DGCD	
C[C@@H](OCCCNC(=O)c1cc(O)cs1)c1ccccc1	731867850	YGSGHTULAMXWHW-GFCCVEGCSA-N	305.399	3.351	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1	731980535	AVXJXZFLNGCLKO-UHFFFAOYSA-N	314.360	3.024	10	20	DGCD	
COC1CCN(C(C)(C)CN[C@@H](C)c2ccc(F)cc2O)CC1	756549317	DVTWMWKJJKOAAT-ZDUSSCGKSA-N	324.440	3.071	10	20	DGCD	
O=C(OCc1nc(Cl)ccc1Cl)c1cccc(O)c1O	758557929	LTGOIRGGNFUWLR-UHFFFAOYSA-N	314.124	3.157	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCSC1	762013731	LBGXZNUDQTYFQM-OAHLLOKOSA-N	306.475	3.243	10	20	DGCD	
C/C=C(/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)CC	764528228	PSTYIUNMYCJHBB-XWRQRNCWSA-N	314.429	3.256	10	20	DGCD	
C[C@H](NC[C@H](O)c1ccc(F)cc1F)c1ccc(N(C)C)cc1	764770794	OKLBNEWGKKQGAO-SGTLLEGYSA-N	320.383	3.415	10	20	DGCD	
CCN(CC)[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	768466162	NFANFDQTZVUFBO-GOSISDBHSA-N	302.462	3.187	10	20	DGCD	
CC1(C)CN(Cc2ccccc2O)CCN1Cc1ccccc1	779015374	UGNAVFVYLDXWMU-UHFFFAOYSA-N	310.441	3.489	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ccccc1-n1cncn1	780766109	GDEVJNLNPCQOHM-UHFFFAOYSA-N	320.396	3.229	10	20	DGCD	
CN1C(=O)/C(=C\c2cc(Cl)cc3c2OCC3)SC1=S	782878976	CPUSEQKXORBALN-UXBLZVDNSA-N	311.815	3.106	10	20	DGCD	
Cc1c(F)ccc2sc(NC(=O)c3cccc(O)c3O)nc12	790878176	PSDRYPYDPNBIEX-UHFFFAOYSA-N	318.329	3.407	10	20	DGCD	
CC(C)OC[C@H](C)NCc1ccc(N2CCSCC2)cc1	800223022	OAJGIEDYOYGBJD-HNNXBMFYSA-N	308.491	3.143	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CSC[C@H]2C)cc1	804967334	OJFLDSKOCWHQIS-CZUORRHYSA-N	321.490	3.084	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(N(C)C)c(C)c1	815075465	BNJUAYWCSXMSIQ-QFBILLFUSA-N	318.461	3.273	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc3cc(C)ccc3n2)c1O	815834532	MTSRMGAHQOSGNH-UHFFFAOYSA-N	322.364	3.187	10	20	DGCD	
C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)[C@@H]([C@@H](C)O)C1	816587769	VXGKGHUKQBSKSJ-GPCCPHFNSA-N	301.789	3.166	10	20	DGCD	
OCCN(Cc1cc(Cl)c(F)cc1O)[C@H]1C[C@H]2CC[C@H]1C2	816596033	LTANXWQAPBQMBS-PGUXBMHVSA-N	313.800	3.168	10	20	DGCD	
C[C@@H](NCCNC1CC1)c1ccc(N2CCCCC2)c(F)c1	817953752	QLCWXWULDYSBEV-CQSZACIVSA-N	305.441	3.219	10	20	DGCD	
Cc1cc(O)c(CN2CCS[C@@H]3COCC[C@@H]32)cc1Cl	824913256	NBELEVOYHVTXDH-DZGCQCFKSA-N	313.850	3.060	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@@H](CO)CC(C)(C)C	825041017	YOQQZGJRSOATLO-GFCCVEGCSA-N	303.805	3.414	10	20	DGCD	
COc1cc(CN(C)CC(C)(C)CO)c(O)c(C(C)(C)C)c1	826043583	LLMAUEAUFYKOOG-UHFFFAOYSA-N	309.450	3.149	10	20	DGCD	
O=C(c1cc(O)cs1)N1C[C@H]2CCCN2c2ccccc21	827158051	MSUOVNXNCPGZNL-LLVKDONJSA-N	300.383	3.083	10	20	DGCD	
Cc1cc(CN(C)C2(CO)CCC2)ccc1N1CCCCC1	830008766	HTXKQZVPHXQIED-UHFFFAOYSA-N	302.462	3.332	10	20	DGCD	
CC/C=C\CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	838656720	AIMBENMUZSKPOB-WAYWQWQTSA-N	301.434	3.393	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C\c1ccc[nH]1	839922897	ZZGUHMLYIJTTAG-WWRUEGTHSA-N	311.429	3.150	10	20	DGCD	
C[C@@H](NCCN(C)CC(F)(F)F)c1ccc(Cl)cc1O	841765447	YNPHNGWNSSXOCI-SECBINFHSA-N	310.747	3.190	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)cc1	844996224	URNKUAVLFZJJAA-HZPDHXFCSA-N	316.351	3.431	10	20	DGCD	
CC[C@@H](N[C@@H](C)c1cccc(OC)c1O)C(=O)OC(C)(C)C	846151193	VATTXWOJJAUFBV-WCQYABFASA-N	309.406	3.172	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1ccc(C(=O)O)cn1	846252764	CIEVVRQBCHTOAJ-UHFFFAOYSA-N	312.369	3.131	10	20	DGCD	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cc(O)cs2)C1	846972133	MATNVXCITVQLSD-RZFFKMDDSA-N	323.458	3.246	10	20	DGCD	
Cc1cc(CN2CCn3cncc3C2)ccc1N1CCCCC1	852062808	BLRFEBFVECJZGM-UHFFFAOYSA-N	310.445	3.198	10	20	DGCD	
CCOc1cncc(CN[C@H](C)c2cc(OC)ccc2O)c1	857046730	PUABBOPFFQVRQW-GFCCVEGCSA-N	302.374	3.045	10	20	DGCD	
CN1CCCC[C@@H](CNCc2cc(Cl)c(F)cc2O)C1	862483862	ZQRIMQVMVWJUNF-NSHDSACASA-N	300.805	3.006	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCOc2ccc(F)cc2)c1	862759986	OMWOTRMZLUUVSD-UHFFFAOYSA-N	317.360	3.315	10	20	DGCD	
Cc1cccc(O)c1CNC[C@@H](O)c1cc(F)cc(Cl)c1	877482058	BLDUNSRZFFUQFF-MRXNPFEDSA-N	309.768	3.316	10	20	DGCD	
Cc1cc(C)cc(OC[C@@H](O)CN[C@H](C)c2ccccc2O)c1	879648972	IAAKAYJHRGNITA-CVEARBPZSA-N	315.413	3.100	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1	894092798	BYQSZQFJSDSPRI-SJCJKPOMSA-N	322.399	3.119	10	20	DGCD	
COc1cc(C)cc(CNCCCOc2ccccc2)c1O	894156933	SDYGQJQGRVFHIC-UHFFFAOYSA-N	301.386	3.268	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2CCc3cc(O)ccc3C2)c1O	894573763	WVXFFZZSMNQWHY-INIZCTEOSA-N	313.397	3.062	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCOC2(CCC2)C1	898277298	MCKSOFJHMFHDEY-LLVKDONJSA-N	309.793	3.011	10	20	DGCD	
CCOCc1cc(CNC(C)(C)C(=O)OC(C)C)ccc1OC	898508384	FEUSNFKFIVYJAT-UHFFFAOYSA-N	323.433	3.052	10	20	DGCD	
O=C1Nc2ccccc2/C1=C\c1ccc(N2CCC(O)CC2)cc1	905068722	IESXHSVWEGHUBX-QGOAFFKASA-N	320.392	3.140	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2ccccc2O)C2CC2)cc1	914485363	SNGBAFIROCLYSS-UHFFFAOYSA-N	310.397	3.263	10	20	DGCD	
CN(C)c1ccc(CNCc2cccc3c2OCC3)cc1F	921622812	HXIOFARSJBHNIB-UHFFFAOYSA-N	300.377	3.116	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCO[C@H](C(C)C)C1	932944598	YFCZNJUWXGGZSM-YJBOKZPZSA-N	318.461	3.128	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(CC)n(C)n1	1344731120	UHPCDMJHWGKWSC-UHFFFAOYSA-N	315.417	3.131	10	20	DGCD	
COc1ccc(CNCc2cc(F)c(N(C)C)cc2F)c(F)c1	1351315939	SXYKRYXPDTXKBU-UHFFFAOYSA-N	324.346	3.468	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	1528402258	XXUUQTHPVZCWOM-ZMSDIMECSA-N	318.417	3.024	10	20	DGCD	
NCc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1	1580340079	MEINGTNLOWKTBK-UHFFFAOYSA-N	314.366	3.024	10	20	DGCD	
COc1cccc(CNc2cccc([C@H](C)C(=O)O)c2)c1O	1599675691	SESXSMQTENPSDW-NSHDSACASA-N	301.342	3.201	10	20	DGCD	
O=C(O)c1ccc2c(c1)CCN2Cc1c(O)ccc(Cl)c1F	1602418152	BEXBWDMXMLVYGP-UHFFFAOYSA-N	321.735	3.446	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc(C(=O)O)c(Cl)c2)cc1	1606055444	JMUNCHMOHYOZQJ-UHFFFAOYSA-N	318.804	3.394	10	20	DGCD	
O=C(O)CCCCN(Cc1ccco1)Cc1ccccc1O	1608712513	HOYKILYIEQOABZ-UHFFFAOYSA-N	303.358	3.242	10	20	DGCD	
Cc1cc(C)c(O)c(CN(CCc2ccccc2)CC(=O)O)c1	1610455987	OQBLWPSWTJHTKW-UHFFFAOYSA-N	313.397	3.138	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ncc(C(=O)O)s2)c(O)c1	1610490637	IVUSDTSHSROQRM-ZJUUUORDSA-N	306.387	3.267	10	20	DGCD	
CC[C@@H](C)[C@@H](C)C(=O)N(C)CCNCc1ccc(OC)c(C)c1	1753245608	DYAYRUZNFFKIFP-GDBMZVCRSA-N	320.477	3.234	10	20	DGCD	
CCN1CCc2cc(CNCc3ccsc3C(=O)O)ccc21	1776877758	VCPQKUPDAWGVQY-UHFFFAOYSA-N	316.426	3.119	10	20	DGCD	
C[C@H](Sc1nccs1)C(=O)Nc1cccc([N+](=O)[O-])c1	48874182	QLBDPMYFFCZSKJ-QMMMGPOBSA-N	309.372	3.171	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cccc3[nH]ccc23)cc1F	80610362	RCWGEQIKKRLERU-UHFFFAOYSA-N	311.360	3.303	10	20	DGCD	
COc1ccc2[nH]cc(C3=CCN(c4cnccn4)CC3)c2c1	110234028	BYPLGJGAXIDUIG-UHFFFAOYSA-N	306.369	3.260	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ccc(F)nc1	127151732	PINNDQXJWVCRRJ-UHFFFAOYSA-N	303.337	3.370	10	20	DGCD	
CCC[C@H](CCO)CNC1CCN(c2ccc(OC)cc2)CC1	152467254	YFHDUFDYVMIOES-MRXNPFEDSA-N	320.477	3.052	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CC[C@H](CO)CC2)cc1F	153171142	UPGDPEKIDRKENL-FZNQNYSPSA-N	308.441	3.313	10	20	DGCD	
COc1cc(O)c(CN(C)[C@H]2C[C@@](C)(OC)C2(C)C)cc1OC	160325710	QKRDIAWZZUZURB-FUHWJXTLSA-N	323.433	3.045	10	20	DGCD	
COc1cc(CN2CCC[C@@H]2C[C@@H](C)O)c(O)c(C(C)(C)C)c1	164602002	RHIFCBHKJNVAFK-UKRRQHHQSA-N	321.461	3.434	10	20	DGCD	
Cc1cccc([C@H]2CCCN2Cc2cc3c(cc2O)OCO3)n1	164825248	VRURDKLAPOYJPV-OAHLLOKOSA-N	312.369	3.161	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CCCO[C@H](C)C3)c2c1	172494737	CWMQUCAKARQABY-CYBMUJFWSA-N	301.386	3.165	10	20	DGCD	
CC[C@@](C)(NCc1cc(OC)c(OC)cc1O)c1nccs1	182371682	XFRGGIACUJJQAS-MRXNPFEDSA-N	322.430	3.281	10	20	DGCD	
CC[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc(O)c(O)c1	186041561	AAIGUJGACKAVFZ-VMSUTVGLSA-N	323.392	3.475	10	20	DGCD	
C[C@@H](O)[C@](C)(CNCc1cc(F)ccc1O)Cc1ccccc1	191779934	LODLQQOSYBKLOF-KUHUBIRLSA-N	317.404	3.251	10	20	DGCD	
Cc1cc(C(=O)Nc2nnc[nH]2)c(C)n1-c1cccc(Cl)c1	194118940	YXJRNWBANYKWCL-UHFFFAOYSA-N	315.764	3.118	10	20	DGCD	
Cc1cc(C(=O)NCCCCO)c(C)n1-c1cccc(Cl)c1	194979391	WRRZIJJDCYVYIB-UHFFFAOYSA-N	320.820	3.250	10	20	DGCD	
COc1ccc(C[C@H](C)NCc2cc(C)ccc2O)cc1OC	237233230	SVQXTIAWTYLWLD-AWEZNQCLSA-N	315.413	3.439	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c1	246773922	PAMLVYSFKQWLRC-SLEUVZQESA-N	306.406	3.025	10	20	DGCD	
COc1ccc(N2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)cc1F	267967831	MUQXRIAYPNJBHA-ZDUSSCGKSA-N	322.424	3.165	10	20	DGCD	
C[C@H]1[C@@H](C)N(Cc2ccc(N3CCCCC3)cc2)CC[S@@]1=O	271195534	NIRJHIIQGXVDPY-VVBPWWLESA-N	320.502	3.018	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ccc(CNC(C)=O)cc2)c1	273440109	MTTWORLIOTYELR-GFCCVEGCSA-N	314.385	3.210	10	20	DGCD	
CCOc1cccc(CN[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1O	277172830	HXDAKGSNNFGYMG-NEPJUHHUSA-N	318.421	3.273	10	20	DGCD	
CC[C@H](C)[C@H]1NC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	278157891	OZRZMTVOHMZJJW-UPONEAKYSA-N	316.188	3.047	10	20	DGCD	
CC(C)SCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	287497120	VPLLWRFHIGFHSZ-UHFFFAOYSA-N	309.479	3.036	10	20	DGCD	
CCCOc1ccc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4OC)c(O)c1	289811661	SWJZXXKJFWFKNB-LBCSOOOPSA-N	317.429	3.036	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1csc(Cl)n1	294867862	CWVADEJQLCUWKW-UHFFFAOYSA-N	309.822	3.262	10	20	DGCD	
CN(C)[C@@H](CN[C@H]1CCc2cccc(O)c21)c1ccsc1	295912026	JFZFPAGGKSMWDZ-GJZGRUSLSA-N	302.443	3.334	10	20	DGCD	
C[C@H](N[C@H](C)CC(C)(C)O)c1cc(Br)ccc1O	296421357	LJUOFTDGRIEKLB-ZJUUUORDSA-N	316.239	3.355	10	20	DGCD	
CCc1ccnc(C(=O)NCc2c(C)c3ccccc3n2C)c1	471231441	HSSXVUNHCYVZGK-UHFFFAOYSA-N	307.397	3.374	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cccc(Cl)c1	588403851	WNZWNZKFLKFTPP-ALCCZGGFSA-N	317.772	3.123	10	20	DGCD	
CC[C@@H](c1ccncc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	588407243	RUSSNRLKVYIQQS-PKYBCLHXSA-N	312.369	3.116	10	20	DGCD	
C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@H](C)c1ccccc1O	706406939	MAWLXPNVZJBCFV-QWHCGFSZSA-N	308.422	3.298	10	20	DGCD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ccccc1O	740084334	VZFFQQSBLNZGNW-UHFFFAOYSA-N	314.772	3.386	10	20	DGCD	
CC[C@@H]1C[C@H](C)CN1C(=O)NCc1ccc2c(c1)CCCN2C	745788825	ROYLHFLTOCMWDD-WMLDXEAASA-N	315.461	3.399	10	20	DGCD	
C[C@H](NC(=O)N1CCS[C@H](C)CC1)c1ccc(N(C)C)cc1	755275115	PCOSWHNGXLYYCO-KGLIPLIRSA-N	321.490	3.351	10	20	DGCD	
C[C@H](NCc1ccc(Cl)nc1)c1cc([N+](=O)[O-])ccc1O	756432579	JERUXNAZJQDIBP-VIFPVBQESA-N	307.737	3.200	10	20	DGCD	
C[C@H](N[C@H](CCN(C)C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1O	756592787	VLQDOAIAPVBUAT-BLLLJJGKSA-N	323.437	3.317	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cc(Br)ccc1O)C(C)C	756596918	ILYJRTJVICHDGC-GWCFXTLKSA-N	316.239	3.476	10	20	DGCD	
CN(Cc1ccccc1O)C[C@H](O)c1ccc(Cl)c(F)c1	759852589	OWZPEAPXGDKSHX-INIZCTEOSA-N	309.768	3.350	10	20	DGCD	
COCc1nsc(NCc2cc(Cl)cc(Cl)c2O)n1	765943828	GQYYQHBIJPJBTF-UHFFFAOYSA-N	320.201	3.309	10	20	DGCD	
CNC(=O)c1ccc(CN(Cc2cc(C)ccc2O)C2CC2)cc1	768420582	CNKKLMQOFWHGMF-UHFFFAOYSA-N	324.424	3.225	10	20	DGCD	
CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(C)c(C)cc1O	769499189	YJOVVNAERUKSDY-QZTJIDSGSA-N	318.461	3.230	10	20	DGCD	
Cc1cnccc1C(=O)NCc1ccc(N2CCCCC2)cc1	771287578	RQICPXKQSXHHBU-UHFFFAOYSA-N	309.413	3.310	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C=C1CCSCC1	771591598	ZULPEJBSLNLQNQ-UHFFFAOYSA-N	304.459	3.164	10	20	DGCD	
C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C	775669172	TVXKLQOKJXQTTE-DLBZAZTESA-N	301.478	3.059	10	20	DGCD	
Cc1ccc(C(=O)Nc2ncc(C(C)(C)C)s2)c(O)c1O	780953221	TTWUEHAJNZUEEX-UHFFFAOYSA-N	306.387	3.413	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)C1CCCCC1	783583069	KBZIVEMMHOULNN-SFHVURJKSA-N	318.461	3.042	10	20	DGCD	
CC[C@@H](C)n1ncc(NCc2cc3c(cc2O)OCO3)c1C	791003688	GABSPFZZNKUPMM-SNVBAGLBSA-N	303.362	3.209	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc2nc(O)oc2c1	796678102	YFOSYUVRGWQTLZ-GFCCVEGCSA-N	311.385	3.450	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCc1cn[nH]c1	803294154	APQLRCRDOFDHES-UHFFFAOYSA-N	301.371	3.236	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@@H](C)COC)cc1	812477473	PJCUNCLJGJCKCP-GJZGRUSLSA-N	306.450	3.068	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](n3cccn3)C2)cc1F	812780379	CDBDXFZPBTXBFA-INIZCTEOSA-N	316.424	3.315	10	20	DGCD	
Cc1ccccc1[C@H](CO)NCc1cc(Cl)c(F)cc1O	816555910	UANMBPZRSRJQBU-HNNXBMFYSA-N	309.768	3.316	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNc1ccn(CC(F)F)n1	816556508	LKDIFWIDPARTJI-UHFFFAOYSA-N	305.687	3.258	10	20	DGCD	
C[C@H]1C[C@H](N2CCCC2)CN1Cc1cc(Cl)c(F)cc1O	816608638	FPDHZYCWPNUNEN-AAEUAGOBSA-N	312.816	3.243	10	20	DGCD	
CN1CCC[C@]2(CCN(Cc3cc(Cl)cc(F)c3O)C2)C1	816641893	JIORZSLGNVWWKD-INIZCTEOSA-N	312.816	3.102	10	20	DGCD	
C[C@@H]1CCC[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1	817935807	DWAYUDXANUSIMU-RISCZKNCSA-N	315.442	3.235	10	20	DGCD	
CC[C@@H]1C[C@@H](NC[C@H]2CCN(c3ccc(OC)cc3)C2)CCO1	818221423	MEGJNXNJSZOEFG-SOLBZPMBSA-N	318.461	3.069	10	20	DGCD	
COc1cc(CN(C)Cc2cn[nH]c2)c(O)c(C(C)(C)C)c1	824817723	DNNFRYPLDJRCAB-UHFFFAOYSA-N	303.406	3.053	10	20	DGCD	
C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc3ccccc3c2O)C1	826910313	FAQMZXHRGSWXDX-VVBPWWLESA-N	317.454	3.325	10	20	DGCD	
Oc1cccc2c1[C@@H](NCCCN1CCc3ccccc3C1)CC2	834501729	IBMQOAYYIYRGLT-IBGZPJMESA-N	322.452	3.418	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cc(C)cs2)c1	836581114	HFTWPNPVSALRSZ-NSHDSACASA-N	320.414	3.331	10	20	DGCD	
COc1cccc(O)c1CN1CC(Cc2ccc(F)cc2)C1	839135054	UYRGXIALNYHZQT-UHFFFAOYSA-N	301.361	3.214	10	20	DGCD	
CCCC[C@@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1	839144753	KDVFMKJTVHGBPL-CYBMUJFWSA-N	312.404	3.470	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)C(=O)OC(C)(C)C	840397182	TVMBHSMDZPRJOQ-CYBMUJFWSA-N	321.417	3.109	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCNCC2(C)C)cc1F	841072123	HFEUTGKLBDTRGQ-KRWDZBQOSA-N	307.457	3.150	10	20	DGCD	
CCN(CC)[C@@H](CNC(=O)Nc1ccc(N)cc1)c1ccco1	841301571	UZURZHATOANXKH-HNNXBMFYSA-N	316.405	3.066	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(OCc3ccccc3)cc2O)CO1	843432179	IRVGHLPEKCGYSC-YOEHRIQHSA-N	313.397	3.238	10	20	DGCD	
C[C@@H](NC(=O)NC1(C2CCC2)CC1)c1ccc(N(C)C)cc1	845125934	RUUBVYVOUGGHCA-CYBMUJFWSA-N	301.434	3.446	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H]2CN(C)Cc3ccccc32)c1O	846157686	OMKDBLXAOQGEMB-DYVFJYSZSA-N	312.413	3.238	10	20	DGCD	
CCc1cccc(CN2CCC(=O)Nc3cc(F)ccc32)c1O	848913165	PXFNAMPVHJDEBZ-UHFFFAOYSA-N	314.360	3.443	10	20	DGCD	
CCOCc1cc(CNCC2SCCS2)ccc1OC	850401786	UBHPHWDCSXCNHF-UHFFFAOYSA-N	313.488	3.127	10	20	DGCD	
Cc1cc(CNCc2cc(C)n(-c3ccccc3)c2C)n(C)n1	858294367	GYNIKALPHCLQJJ-UHFFFAOYSA-N	308.429	3.426	10	20	DGCD	
Nc1ccc(CCNC(=O)C2CC(c3ccc(F)cc3)C2)cc1	876528503	RUPPEQJBEQHXKW-UHFFFAOYSA-N	312.388	3.260	10	20	DGCD	
OC1CCN(c2ccc(CNC34CCC(CC3)C4)cc2)CC1	877308975	FYRCVFZIPDTGGY-UHFFFAOYSA-N	300.446	3.070	10	20	DGCD	
C[C@H](NC[C@H](CO)Cc1ccccc1)c1c(O)cccc1F	886511324	QKPLTMOLYRFULZ-DZGCQCFKSA-N	303.377	3.033	10	20	DGCD	
COc1ccc(CNCCc2ccc(F)c(F)c2)c(O)c1OC	893934304	GVERQINFHITKOQ-UHFFFAOYSA-N	323.339	3.020	10	20	DGCD	
COc1ccc(CN(C)CCc2ccccc2C)c(O)c1OC	894668786	WSOUVULMTAIZKV-UHFFFAOYSA-N	315.413	3.392	10	20	DGCD	
COc1cc(C)c(CN(C)Cc2ccc(N)cc2)cc1OC	1334754234	MMHZZSAXEFNHRK-UHFFFAOYSA-N	300.402	3.226	10	20	DGCD	
C[C@@H]1CCN(c2nnc(-c3sccc3O)n2CC2CC2)[C@@H]1C	1518345887	RVOBBGOLVHHGDJ-GHMZBOCLSA-N	318.446	3.357	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc(C=O)c(F)c1F	1597772056	AXHWZEPJTRAYBV-UHFFFAOYSA-N	310.252	3.210	10	20	DGCD	
O=C(O)c1cnc(S[C@H]2CCO[C@H](c3ccncc3)C2)s1	1602537212	NKOSWBDPKNMLJB-QWRGUYRKSA-N	322.411	3.249	10	20	DGCD	
CN(C)c1ccc2c(c1)CN(Cc1ccccc1C(=O)O)CCC2	1777041230	SCTBAARTLLSGOV-UHFFFAOYSA-N	324.424	3.399	10	20	DGCD	
CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(O)c(O)c1	78768920	QFLIRBDFFVOCSE-INIZCTEOSA-N	318.417	3.031	10	20	DGCD	
Cc1ccc(O)c(CNCCN(C(=O)OC(C)(C)C)C2CC2)c1	113334446	FLHAPDAUJFBWDY-UHFFFAOYSA-N	320.433	3.190	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2ccccc2C)c(OC)c1	132261902	IYPFSEGPUVZFDO-UHFFFAOYSA-N	314.385	3.087	10	20	DGCD	
CC[C@@H](NCCOCC(F)(F)F)c1ccc(N(C)C)cc1	159356900	CLUSTXGEVYZXPA-CQSZACIVSA-N	304.356	3.372	10	20	DGCD	
Cc1cccc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1O	180170513	RJEJZWCDUFZETD-HNNXBMFYSA-N	318.461	3.075	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cc(Br)ccc2O)on1	185356863	DKVAKZBZOQMCFM-SECBINFHSA-N	311.179	3.302	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@@H](C)c2cc(Cl)ccc2O)c1	185418771	SZHWZGJDWGEYGA-GTNSWQLSSA-N	321.804	3.438	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)ccc21	245947216	VVSMCLAXZLIYNQ-BHIYHBOVSA-N	314.473	3.362	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@H](CC)c1cccc(Cl)c1O	287687597	MYPZPNFQZKPCAP-SMDDNHRTSA-N	312.841	3.391	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCO[C@H](C(F)(F)F)C2)cc1F	287729732	PBFYTKJCQPCQDW-RISCZKNCSA-N	320.330	3.091	10	20	DGCD	
COc1cccc(CNC(=O)Nc2ncsc2C(C)C)c1O	290020593	VWUZOUKPBZRJDO-UHFFFAOYSA-N	321.402	3.302	10	20	DGCD	
C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1cc(Cl)ccc1O	290399523	SUDFHXRVUYSZDA-IXBGWNDUSA-N	319.788	3.191	10	20	DGCD	
CC[C@@H](CO)NCc1ccc(N(C)Cc2cccs2)cc1	294791727	ONFONOMPDKFWRF-HNNXBMFYSA-N	304.459	3.245	10	20	DGCD	
Oc1cccc2c1[C@H](NCc1cccc(N3CCOCC3)c1)CC2	297368697	QJMQHRDOXKCEFB-GOSISDBHSA-N	324.424	3.006	10	20	DGCD	
Cn1nccc1[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1	372812805	CCTFYDNWOBIGLJ-NSHDSACASA-N	323.799	3.298	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc(C(F)(F)F)cn1	383717428	JLQXCLCMOUMGED-UHFFFAOYSA-N	310.275	3.078	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCC1(C)C	476678809	UUPBJMHDYILOJD-AWEZNQCLSA-N	302.418	3.304	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cc2ccccc2o1	588407021	LNWYCDXFYWYJCY-VURMDHGXSA-N	323.348	3.216	10	20	DGCD	
CCC(CC)(CNCc1c(O)cccc1Br)OC	706833956	MVXDLGQKVIEYIU-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(OC)c2)c1	728979736	LIAFIUSKIWKKQD-LBPRGKRZSA-N	315.369	3.209	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccccc2Cl)c1	728980584	LCECHBAOBMTDQH-LLVKDONJSA-N	319.788	3.474	10	20	DGCD	
O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(O)cs1	731869105	LVAICFYXMIOAFI-UHFFFAOYSA-N	313.338	3.288	10	20	DGCD	
CCN(CC)c1ccc(CNCc2ccc(C(=O)O)o2)cc1	737094404	QHCTZQZODBDGQN-UHFFFAOYSA-N	302.374	3.114	10	20	DGCD	
COc1cccc(OCCN(C)c2ccc(OC)c(F)c2)c1	752000968	CVAGDIUIYDODGX-UHFFFAOYSA-N	305.349	3.358	10	20	DGCD	
COC(=O)c1ccc(CN(C)c2ccc(OC(C)C)cc2)[nH]1	763541675	SEZZIYWUYKGZHR-UHFFFAOYSA-N	302.374	3.225	10	20	DGCD	
CC[C@H](NCCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1	765925925	GMFMRUVKEJTOHY-HNNXBMFYSA-N	317.399	3.287	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CC(=O)N1CCCC[C@@H]1C	766270863	VNIAGPONSKWESX-HNNXBMFYSA-N	316.445	3.239	10	20	DGCD	
Cc1cccc(CN2CCN(Cc3cc(C)ccc3O)CC2)c1	768194543	AMGDHULIOJRRSF-UHFFFAOYSA-N	310.441	3.327	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc2c(c1)COC2)c1ccc(N(C)C)cc1	773014933	NQNMCUPFSFDDCA-AWEZNQCLSA-N	324.424	3.203	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)Cc2ccsc2)c1O	774976602	HWIFPKDBUUYJNJ-JTQLQIEISA-N	322.386	3.091	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCC2(C)CCCCC2)c1O	775038573	WKBHPXWXYCYYEA-UHFFFAOYSA-N	308.378	3.369	10	20	DGCD	
Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)c1ccccc1O	775128390	AQLKTRORXNZVNL-HZPDHXFCSA-N	315.413	3.100	10	20	DGCD	
Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1O	775412559	YNNUGTKPDVOOPZ-AWEZNQCLSA-N	312.413	3.187	10	20	DGCD	
COC(=O)[C@@H](N[C@@H](C)c1cc(OC)ccc1O)c1ccsc1	789301080	XQTAFSJHNASZMO-BONVTDFDSA-N	321.398	3.027	10	20	DGCD	
CC(C)n1ccc(NCc2ccc(N3CCOCC3)c(F)c2)n1	795589099	WNKHRJGELGRZAY-UHFFFAOYSA-N	318.396	3.052	10	20	DGCD	
OCC1CCN(c2ccc(CN[C@@H]3CC[C@H]3C3CC3)cc2)CC1	806133390	MGBWKZBRZZEYJD-VQTJNVASSA-N	314.473	3.174	10	20	DGCD	
CO[C@@H](C)CCC(=O)NCc1cc(Cl)cc(Cl)c1O	807837928	GGJTZQOFHJSHKO-QMMMGPOBSA-N	306.189	3.130	10	20	DGCD	
Oc1c(CN2CCO[C@H](C(F)(F)F)C2)ccc2ccccc12	816513779	BKOUKNGAHJGBDK-AWEZNQCLSA-N	311.303	3.309	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C)CCC(=O)CC1	825461482	XFELGZBHGHVCAN-UHFFFAOYSA-N	316.445	3.251	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1CCCN(CC2CC2)C1	827949764	NSDBDBNFYNAFEO-GOSISDBHSA-N	315.505	3.273	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCC(C)CC3)cc2)nn1	840896748	KOMQFABGMHMYGF-UHFFFAOYSA-N	310.445	3.311	10	20	DGCD	
COC(=O)[C@H](NCc1ccc(N(C)C)cc1C)c1ccccc1	840940293	YLKJAZCUVRPJAV-GOSISDBHSA-N	312.413	3.065	10	20	DGCD	
C[C@@H](CCCN)NCc1ccc(OCc2ccccc2)cc1O	841078984	GRXFLGCYVJTYDA-HNNXBMFYSA-N	314.429	3.188	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN[C@H]2[C@@H]3CNC[C@@H]32)cc1	841081719	XMIPMHKKSGXHNK-AERCQKQUSA-N	321.468	3.021	10	20	DGCD	
CCn1nc(CN2CCCc3cc(CN)ccc32)c2ccccc21	843058524	TUBDAXKONMKUBQ-UHFFFAOYSA-N	320.440	3.468	10	20	DGCD	
COc1cccc([C@@H](C)NC2CCN(C3CCC3)CC2)c1O	846142443	TYALOPRHBHETEN-CYBMUJFWSA-N	304.434	3.068	10	20	DGCD	
Cc1cc(CN2CC[C@H](C(=O)O)[C@H]2C)ccc1N1CCCCC1	846282726	ASGAHTDIMMJNNF-WBVHZDCISA-N	316.445	3.280	10	20	DGCD	
Oc1ccc(Cl)cc1CNCC1CCN(CC2CC2)CC1	850420587	PMZIMHJCWDUZRK-UHFFFAOYSA-N	308.853	3.257	10	20	DGCD	
CC(C)[C@@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)CCO1	858156850	SGDXQHNXCVJXEL-DYVFJYSZSA-N	312.404	3.324	10	20	DGCD	
Cc1ccsc1CCNC(=O)N[C@H](C)c1ccccc1O	868474620	MOMKUNLMPNVGBU-GFCCVEGCSA-N	304.415	3.365	10	20	DGCD	
Cc1ccc(CN(C)Cc2ccc([S@](C)=O)cc2)c(O)c1	876773497	SKVICCNFPPVZPI-NRFANRHFSA-N	303.427	3.070	10	20	DGCD	
COC(=O)Cc1ccccc1CN[C@H](C)c1c(O)cccc1F	886634865	ORRKXLZFAMOSTA-GFCCVEGCSA-N	317.360	3.098	10	20	DGCD	
CCCSC[C@@H](C)NCc1ccc(N2CCOCC2)cc1	892668633	OZWQFKLDYGEBPM-OAHLLOKOSA-N	308.491	3.145	10	20	DGCD	
Cc1cc(CN2CCOc3cc(N)ccc3C2)ccc1N(C)C	923417846	YNYIEMYLSXXPEZ-UHFFFAOYSA-N	311.429	3.038	10	20	DGCD	
O=c1[nH]c(/C=C\c2ccc(N3CCCC3)cc2)nc2cnccc12	1116327447	STQYSSFUBRWXNO-YVMONPNESA-N	318.380	3.089	10	20	DGCD	
Cn1ncc(C2CC2)c1CNCc1ccc(N2CCCC2)cc1	1118479756	UMNAIYKWZXEBBU-UHFFFAOYSA-N	310.445	3.188	10	20	DGCD	
COc1ccc(CNCCCNC(=O)CC(C)=C(C)C)cc1C	1164043563	BFCCOXPHOCVRQU-UHFFFAOYSA-N	318.461	3.346	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCc2nc(C(C)C)no2)c(O)c1	1326282651	GRXZEBKKVJHDAX-ZDUSSCGKSA-N	303.406	3.409	10	20	DGCD	
CCc1cccc(CNc2ccc(C(=O)O)cc2OC)c1O	1597587144	QKUYNVWKJHZUIM-UHFFFAOYSA-N	301.342	3.274	10	20	DGCD	
COc1ccc(CNC[C@H](C)NC(=O)C2(C)CCCC2)cc1C	1754277648	RFTYZWDXPLMHIW-HNNXBMFYSA-N	318.461	3.178	10	20	DGCD	
C[C@]1(C(=O)O)CC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1	1776501080	YLOZIRHPSBBCOQ-APWZRJJASA-N	316.445	3.410	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)c2ccsc2)c(C)c1	1776857097	KZIOKLMTJMOPKA-MRXNPFEDSA-N	318.442	3.428	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H]3CC[C@](C)(C(=O)O)C3)ccc21	1776876144	YAXNCIGLLHPGSP-APWZRJJASA-N	316.445	3.192	10	20	DGCD	
Cc1cccc(C)c1OCCNC(=O)CSc1nccs1	55388727	SRPLHZSZNUBYIV-UHFFFAOYSA-N	322.455	3.047	10	20	DGCD	
COc1cccc(CNC(=O)CC(C)(C)c2ccccc2)c1O	105651090	VKCKZQGDICXJLF-UHFFFAOYSA-N	313.397	3.385	10	20	DGCD	
COC(=O)C1CCC(NCc2ccc(N3CCCC3)cc2)CC1	171676444	PEVCXDFZTHIJGN-UHFFFAOYSA-N	316.445	3.108	10	20	DGCD	
CCn1cc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)cn1	111998249	HCMUEONQGDXJRL-ZSOIEALJSA-N	312.398	3.294	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1nc(C)cs1	66698377	BFRYHUOWEPIBMM-UHFFFAOYSA-N	319.430	3.279	10	20	DGCD	
CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1	178095527	PXSWNLOMTSHLBA-CZUORRHYSA-N	305.466	3.097	10	20	DGCD	
CCc1cnc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)s1	175788810	QNXXYBFZBIZYNI-UHFFFAOYSA-N	322.405	3.385	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N(C)Cc1cccc(OC)c1O	187995691	OEYGMXKIRCIXNS-QGZVFWFLSA-N	315.413	3.090	10	20	DGCD	
CN(Cc1nc(CCc2ccccc2)no1)Cc1ccccc1O	72629627	FSMLGKFLGZFGAS-UHFFFAOYSA-N	323.396	3.192	10	20	DGCD	
Cc1ccc(C)c(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	183429860	JBDQNQBPFCELLN-AWEZNQCLSA-N	313.397	3.005	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](CN)CC(C)C	321883270	JVIRNUFSPSPTBI-KRWDZBQOSA-N	319.493	3.112	10	20	DGCD	
CCCOc1ccc(CN(CCOC)CC(F)(F)F)c(O)c1	92645858	YJHDUVRKNFTUOP-UHFFFAOYSA-N	321.339	3.192	10	20	DGCD	
Cc1cc(C(=O)N(C)[C@H](C)CN)c(C)n1-c1ccc(Cl)cc1	237636493	LQOHLRLRSDHTPC-GFCCVEGCSA-N	319.836	3.167	10	20	DGCD	
CCN(CC)c1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1	91856780	KLOPYCHTQYNVQC-ROUUACIJSA-N	320.502	3.239	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)C(C)(C)C	268872204	VPOYDWYNIBVJRX-HNNXBMFYSA-N	304.478	3.420	10	20	DGCD	
CN(C)c1ccc(CN(Cc2c(Cl)cnn2C)C2CC2)cc1	275680066	HJOYVZRDPCGYAO-UHFFFAOYSA-N	318.852	3.304	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCc2c[nH]nc2C)c1O	275350889	QOARBKGIYJVRNR-SNVBAGLBSA-N	324.222	3.345	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H](CO)Cc2ccc(F)cc2)c(O)c1	273386983	JSVCRSXJYIQCBU-GDBMZVCRSA-N	317.404	3.342	10	20	DGCD	
CCN(C[C@@H]1CC2(CCC2)C(=O)O1)c1ccc(OC)c(OC)c1	277010909	POVFGYBIPSKQPA-AWEZNQCLSA-N	319.401	3.016	10	20	DGCD	
C[C@@H](Cn1cccn1)N[C@H](C)c1cc(Br)ccc1O	273545501	ZHSJGCKUEKWUSO-WDEREUQCSA-N	324.222	3.091	10	20	DGCD	
CCn1nccc1C1CCN(Cc2cc(F)ccc2O)CC1	279450669	QDIPMFFDVWOHMD-UHFFFAOYSA-N	303.381	3.127	10	20	DGCD	
CN(C)c1ccc(CNc2cccc(N3CCC3=O)c2)cc1F	280169837	SSSJBNAEIUPRNG-UHFFFAOYSA-N	313.376	3.241	10	20	DGCD	
C[C@@H](NC[C@@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1O	290251041	JWVQVIFKPIKEJD-VXGBXAGGSA-N	314.341	3.127	10	20	DGCD	
Cc1ncncc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	298632332	GTKUFERTDCONDZ-UHFFFAOYSA-N	324.428	3.048	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CCCCC2(F)F)c1	295110232	LMRGIIGYHBFCRT-NSHDSACASA-N	300.305	3.216	10	20	DGCD	
CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@@H](CC)O1	398443516	PVVYLNYPHWBXCQ-GASCZTMLSA-N	309.381	3.123	10	20	DGCD	
CC(=O)c1cc(NCc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-]	804330011	HIAMYHRUOZBQCX-UHFFFAOYSA-N	313.357	3.476	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCCN1)c1cc(Cl)c(Cl)cc1O	817950307	SJVPYWCPUKNSDU-ZJUUUORDSA-N	303.233	3.492	10	20	DGCD	
C[C@H](NC[C@@]1(C)CCCNC1)c1cccc(C(F)(F)F)c1O	817966286	KJBIRPWRNJOWIG-NHYWBVRUSA-N	316.367	3.451	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(C2CCC2)C2CCC2)cc1	817942704	QGSOGGMWIRASIH-SFHVURJKSA-N	301.478	3.311	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)C1CC1)c1cccc(C(F)(F)F)c1O	815577977	DYSJEFQHBDEJPU-YMTOWFKASA-N	303.324	3.223	10	20	DGCD	
CC(C)[C@@H](NCc1c(O)ccc(Cl)c1F)C1(CO)CCC1	814171654	SQERPBFWOKQZNL-OAHLLOKOSA-N	315.816	3.462	10	20	DGCD	
CCCC[C@H](CN)N[C@@H](C)c1cc(Br)ccc1O	817961679	CGVNXSPYRLWYEF-CMPLNLGQSA-N	315.255	3.323	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)C1CC(O)(CCC(C)(C)C)C1	825487046	JRAPOVWAWVSCNI-UHFFFAOYSA-N	319.445	3.318	10	20	DGCD	
OC[C@H](C1CC1)[C@H](NCc1c(O)ccc(Cl)c1F)C1CC1	824845089	HNXBHQFEEQAMJC-MLGOLLRUSA-N	313.800	3.071	10	20	DGCD	
CCOCc1cc(CNC[C@@](C)(O)[C@H](C)CC)ccc1OC	732820989	RLTNMCKCTWINHT-RDTXWAMCSA-N	309.450	3.118	10	20	DGCD	
CN(Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1O	732203256	SEEQIRYKWQEXKD-UHFFFAOYSA-N	311.360	3.349	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)/C=C\[C@@H]1CCOC1	831909360	LWDPPPWAXYJQTG-WHLNPGIBSA-N	303.402	3.114	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc(Cl)cc2F)cc1	841045731	OZKRINLRUXVLSN-KRWDZBQOSA-N	321.827	3.335	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)Cc2ccccc2C)cc1	844353765	ZSJKJUVRNZQDTA-UHFFFAOYSA-N	312.413	3.098	10	20	DGCD	
CCN(CC(=O)N(C1CC1)[C@H](C)C1CC1)c1ccc(OC)cc1	746108001	UVEOQPXCBVINEI-CQSZACIVSA-N	316.445	3.311	10	20	DGCD	
Cc1n[nH]cc1CNCCc1cc(C)n(-c2ccccc2)c1C	918198274	GTEAIYBZYATZNR-UHFFFAOYSA-N	308.429	3.458	10	20	DGCD	
CSCCCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840306532	VXSOCDXZGLRUQR-AWEZNQCLSA-N	323.506	3.044	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ccc(C)c(C)n2)c1	840784004	OLFZFCFIYHWRMH-ZDUSSCGKSA-N	314.385	3.041	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)C1=Cc2ccccc2CC1	743260143	XRRPJXVMXCUSAG-UHFFFAOYSA-N	315.394	3.430	10	20	DGCD	
COc1cc(CNCCCCCCO)c(O)c(C(C)(C)C)c1	850239486	RPHIBMHPXVMLFW-UHFFFAOYSA-N	309.450	3.341	10	20	DGCD	
COc1cc(CN[C@@H](C)c2csnn2)c(O)c(C(C)(C)C)c1	850326823	CNOJMVCHCBSJCB-JTQLQIEISA-N	321.446	3.401	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](C)CCCC(F)(F)F)c(O)c1O	757647086	NVLWUHYRPCEBRJ-VIFPVBQESA-N	305.296	3.257	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2c(C)noc2C)c1	756576270	ZBFCJGRSNYNDEM-ZJUUUORDSA-N	318.373	3.195	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC(OC(C)C)CC2)c1O	750826776	YLBVBGBUQHQVOA-UHFFFAOYSA-N	309.381	3.123	10	20	DGCD	
Oc1cccc2c1C[C@H](NCc1c(O)ccc(Cl)c1F)C2	758546599	QJKVANUMBBOXQN-SNVBAGLBSA-N	307.752	3.147	10	20	DGCD	
C[C@H](NC(=O)N1C[C@@H]2CCCC[C@@H]21)c1ccc(N(C)C)cc1	854004159	OSEGTJRWWUDYQZ-QRTARXTBSA-N	301.434	3.398	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1nonc1C	926597138	USVWFJIKKTWJNR-STQMWFEESA-N	302.422	3.034	10	20	DGCD	
CC1(C)CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	768733723	XVUZUZYWAQUENM-MRXNPFEDSA-N	313.445	3.441	10	20	DGCD	
CCS[C@H](C)c1noc(COC(=O)c2cc(O)cs2)n1	767347747	TVRYJPMDJTVOEV-SSDOTTSWSA-N	314.388	3.008	10	20	DGCD	
COc1cccc(O)c1CNC[C@@](C)(O)c1cccc(Cl)c1	764980131	QFYOCTBJUIJKAU-QGZVFWFLSA-N	321.804	3.052	10	20	DGCD	
COC(=O)CCN(Cc1cc2c(cc1O)CCCC2)C(C)C	768447946	RXPWEFPUEPODOE-UHFFFAOYSA-N	305.418	3.045	10	20	DGCD	
CCCN(Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O	768437839	KFVWITPBUYYFHF-SFHVURJKSA-N	313.397	3.230	10	20	DGCD	
Cc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cnc1Cl	760211202	NMXIAUMYWVQUEK-XYOKQWHBSA-N	321.833	3.500	10	20	DGCD	
CC1(C)N[C@@H](c2cc(Cl)ccc2O)N(CC2CCCC2)C1=O	877856576	FCUXHYMERJZPEW-OAHLLOKOSA-N	322.836	3.445	10	20	DGCD	
CCCN1CCC(N(C)Cc2cc(Cl)cc(F)c2O)CC1	775658821	SUIYRZLVQKZIAI-UHFFFAOYSA-N	314.832	3.491	10	20	DGCD	
CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cccc(OC)c1O	770353767	ULPQTLAUAJYDLQ-HZPDHXFCSA-N	307.434	3.426	10	20	DGCD	
Cc1nccn1C[C@H](C)CNCc1cc(Cl)cc(F)c1O	775905164	HXDZERJLUNULSZ-SNVBAGLBSA-N	311.788	3.116	10	20	DGCD	
Oc1cccc(Cl)c1CNC[C@@H]1OCCc2ccccc21	776176117	ZCZCPVBRNZJPEU-KRWDZBQOSA-N	303.789	3.449	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC(F)(F)c1ccccc1	789859946	BSIDGARBQVFJHB-VQHVLOKHSA-N	319.307	3.019	10	20	DGCD	
COc1ccc(CNCCNC(=O)CCC(C)(C)C)cc1C	1135537405	LOSCNXAJAVZZEE-UHFFFAOYSA-N	306.450	3.036	10	20	DGCD	
COc1ccc(Br)cc1CNCc1ccccc1O	134236951	JWWUMGGPXOCLTH-UHFFFAOYSA-N	322.202	3.453	10	20	DGCD	
CN(C)CCC1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1319815703	LYBYVGCBVJSTLJ-UHFFFAOYSA-N	315.505	3.451	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1c(O)nnc(C)c1C	1325356453	KVGMQPZERFDJCO-YGRLFVJLSA-N	313.401	3.151	10	20	DGCD	
CC(=O)[C@@H]1C[C@H](C(=O)Nc2c(Cl)ccc3nonc23)C1(C)C	1323418521	LCYXKUWIHCCAQR-DTWKUNHWSA-N	321.764	3.066	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)CN[C@H]1CCc2cccc(O)c21	697820964	AIWLRTJRLQUKGS-JSGCOSHPSA-N	320.433	3.130	10	20	DGCD	
O=C(C1=CCCNCC1)N1CC2(CCCC2)c2cccc(F)c21	1580475550	JIZSKMGXSLRWLG-UHFFFAOYSA-N	314.404	3.294	10	20	DGCD	
CC1(C)CC[C@](NCc2c(O)ccc(Cl)c2F)(C(=O)O)C1	1776546296	ULCAIESGAKJAPT-OAHLLOKOSA-N	315.772	3.308	10	20	DGCD	
CN(Cc1conc1C(C)(C)C)c1ccc(OCC(=O)O)cc1	1777079842	RJMFQUKRKAYCAX-UHFFFAOYSA-N	318.373	3.072	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCc3sccc32)c1	156202689	XKJFKBCIUGUOIC-AWEZNQCLSA-N	317.410	3.199	10	20	DGCD	
O=C(NCc1ccccc1O)c1cccc(F)c1Br	228424320	NJSOWRGUNNXIHR-UHFFFAOYSA-N	324.149	3.224	10	20	DGCD	
CC(C)O[C@@H]1CCN(Cc2c(O)cccc2Br)C1	707132354	NYPDZKJLQDIWDN-LLVKDONJSA-N	314.223	3.154	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CO[C@H]2CCCC[C@H]2C)c1	113429548	UYILMSSNWXKEOY-IGCXYCKISA-N	321.417	3.173	10	20	DGCD	
COc1cccc(CNC(=O)[C@H](C)Cc2cccc(F)c2)c1O	105651003	AVVIRZNFEGAYSI-GFCCVEGCSA-N	317.360	3.035	10	20	DGCD	
CN(CCc1ccccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	120808307	RGMNTPCYMBRICV-UHFFFAOYSA-N	321.764	3.023	10	20	DGCD	
C[C@H](NC[C@H](c1ccc(F)cc1)N(C)C)c1ccccc1O	183432590	DDXLYPKNEYERAD-SUMWQHHRSA-N	302.393	3.485	10	20	DGCD	
CCOc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c1	180956446	VGHIBZBNDBWOAX-WEVVVXLNSA-N	313.353	3.457	10	20	DGCD	
C[C@H](NCCCOC[C@H]1CCCO1)c1cc(Cl)ccc1O	184902970	LASNIHWESYXENH-GXTWGEPZSA-N	313.825	3.282	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)Cc3ccncc3)cc2)CC1	181993290	JMDVUNWLMRUMKT-UHFFFAOYSA-N	323.440	3.177	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc(F)n1	134232108	DLBMIIONTFMDRO-UHFFFAOYSA-N	315.348	3.127	10	20	DGCD	
CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(F)ccc1O	78762655	NTMFBPFYQWYSIR-OAHLLOKOSA-N	306.381	3.075	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](C)C[C@H](C)O)cc1	77118207	LYFPPNSYINJGGI-BBRMVZONSA-N	314.429	3.231	10	20	DGCD	
COc1ccc(O)c(CNC[C@@H]2CCO[C@H]2c2ccccc2)c1	192037204	RLBVFEHPXAFUIE-KXBFYZLASA-N	313.397	3.268	10	20	DGCD	
Cc1ccc(CC(=O)NCc2c(C)c3ccccc3n2C)cn1	348636235	WSOCVNRHCBVTNV-UHFFFAOYSA-N	307.397	3.049	10	20	DGCD	
COc1cccc([C@H](O)CN[C@H](C)c2ccc(N(C)C)cc2)c1	268914883	NPQCMJWNMMXVBM-AUUYWEPGSA-N	314.429	3.145	10	20	DGCD	
CC(C)N1C[C@@H](N[C@H](C)c2ccc3ccccc3c2O)CC1=O	273449182	FOSOMCYAKPMEMF-HIFRSBDPSA-N	312.413	3.205	10	20	DGCD	
CCN(Cc1ncnn1C(C)(C)C)c1ccc(OC)c(OC)c1	283029027	HLFROQPEYJQRGR-UHFFFAOYSA-N	318.421	3.077	10	20	DGCD	
CN(C(=O)C1=CC[C@H](N)C1)c1ccc(OCc2ccccc2)cc1	638321142	WEIGVCMJJHUPTM-KRWDZBQOSA-N	322.408	3.276	10	20	DGCD	
CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[nH]n1	299055576	NWUURYYWXLIZQG-UHFFFAOYSA-N	314.433	3.089	10	20	DGCD	
CC[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O	806148079	QHHDYKFCJBWNPC-FZMZJTMJSA-N	324.852	3.486	10	20	DGCD	
CCOC1CC2(CCN(Cc3ccc(N(C)C)c(C)c3)C2)C1	293588974	OFFXIAFORULERA-UHFFFAOYSA-N	302.462	3.452	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCO[C@H]4C[C@H]43)c2C)c1	816900140	INXZHQDKYXXCGD-MOPGFXCFSA-N	324.424	3.324	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC1CCN(CC(F)F)CC1	816544330	DTKRFEHBEOJRMG-UHFFFAOYSA-N	322.758	3.004	10	20	DGCD	
Cc1cc(CN2CCc3ccccc3[C@@H]2CO)ccc1N(C)C	815073118	GIILUWXNKZIQBZ-FQEVSTJZSA-N	310.441	3.153	10	20	DGCD	
CCNC(=O)CCCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C	817761973	QUVKVSMSEGPNBI-UHFFFAOYSA-N	316.401	3.007	10	20	DGCD	
CC[C@H](NCC1CCNCC1)c1ccc(C(F)(F)F)cc1O	817941781	RNLQCQPFYOCZSZ-AWEZNQCLSA-N	316.367	3.451	10	20	DGCD	
C[C@@H](Nc1nnc(C(F)F)o1)c1ccc(N2CCOCC2)cc1	814360597	FDXLEMOPCOZFLN-SNVBAGLBSA-N	324.331	3.017	10	20	DGCD	
Cc1cc(O)c(CN2C[C@@H](N3CCCC3)C[C@H]2C)cc1Cl	825885143	DGAADLAAVHADHQ-HIFRSBDPSA-N	308.853	3.413	10	20	DGCD	
CC(C)O[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	826530293	DKAGWGRPFNIYLK-RHSMWYFYSA-N	319.449	3.023	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2nn(CC)nc2C)cc1	823390798	KRSZTBKNOKFTFU-UHFFFAOYSA-N	315.465	3.085	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(C)CCC(=O)CC2)cc1	825325483	CTPWYIKNXKPUGE-UHFFFAOYSA-N	316.445	3.298	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@](C)(O)c2cccc(F)c2)c(O)c1	903310767	QQEPNFJKKGSGND-FZKQIMNGSA-N	303.377	3.398	10	20	DGCD	
O=C(O)[C@@]12C[C@@H](NCc3ccc(N4CCCCC4)cc3)C[C@@H]1C2	901955319	AMMXQOJMXYDUHJ-GJYPPUQNSA-N	314.429	3.020	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCCc3c(Cl)ccc(F)c32)cn1	731465456	NVXMOOMMXBIKQA-DAXSKMNVSA-N	319.767	3.205	10	20	DGCD	
CCOCc1cc(CN[C@H](C)Cc2ccncc2)ccc1OC	749296075	NPEMGLYQQLQTQT-OAHLLOKOSA-N	314.429	3.348	10	20	DGCD	
CCc1cccc(CNCc2cc3ccccc3n(C)c2=O)c1O	848913184	QOVOAGMVKHCQFA-UHFFFAOYSA-N	322.408	3.096	10	20	DGCD	
O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1O	748353928	RQKWLWFHHQXLAF-UHFFFAOYSA-N	309.287	3.270	10	20	DGCD	
CN(Cc1csc(C2CC2)n1)c1ccc(OCC(=O)O)cc1	846280223	VJWJORXLGIHWQE-UHFFFAOYSA-N	318.398	3.120	10	20	DGCD	
CCc1cccc(CN(C)CCCNC(=O)OC(C)(C)C)c1O	848888158	NOOWRANBUFCMCP-UHFFFAOYSA-N	322.449	3.301	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@@H](c3cccnc3)C2)c1O	843419992	XWAFZJRQUHGMLQ-CYBMUJFWSA-N	318.804	3.439	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H]2CS[C@H](C)C2)c1O	840959631	XPWRUPDZAACGPB-BXKDBHETSA-N	316.264	3.447	10	20	DGCD	
CCCC[C@H]1CCC[C@H]1NC(=O)NCCc1ccc(N)cc1	841786053	NIPXRYCCODVFGV-DOTOQJQBSA-N	303.450	3.469	10	20	DGCD	
Cc1cc(CNCc2ccc(N3CCC(C)CC3)cc2)nn1C	840897034	NVPHPZDRZRMZEZ-UHFFFAOYSA-N	312.461	3.255	10	20	DGCD	
Cc1ccncc1[C@H](C)NC(=O)NCc1cc(Cl)ccc1O	845089778	RAQNGJWZAWHIST-NSHDSACASA-N	319.792	3.309	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1	844856871	NYVFELYPTFAMOA-VKJFTORMSA-N	316.445	3.026	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@@H](CN)C2CCCCC2)c1O	842475785	CMLKUYGDTOBPEQ-INIZCTEOSA-N	324.852	3.245	10	20	DGCD	
CC1(C)CNCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	841070307	NBMITKTWFWNASP-SFHVURJKSA-N	301.478	3.155	10	20	DGCD	
NC[C@H]1CC[C@H](CNCc2c(O)ccc(Cl)c2F)CC1	841081840	FPFGAXWMDBJTMX-XYPYZODXSA-N	300.805	3.039	10	20	DGCD	
CCCN(CCC)CCCNC(=O)NCc1cc(C)ccc1O	858206595	OVAXBTLNSJPWEJ-UHFFFAOYSA-N	321.465	3.012	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)C1(Cl)CC1	924709502	XAUWRUWEGOLKBM-CYBMUJFWSA-N	310.894	3.489	10	20	DGCD	
C[C@H](NCCOC[C@@H]1CCCO1)c1ccc2ccccc2c1O	756582869	JUYVIBISBRNYOS-HOCLYGCPSA-N	315.413	3.392	10	20	DGCD	
CCC[C@@H](CNC1CCN(c2ccc(OC)cc2)CC1)OCC	858210193	IOHUNEQGLZSVHM-IBGZPJMESA-N	320.477	3.459	10	20	DGCD	
C[C@@H](NCCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O	756340092	HVODRDARAMIKDF-LLVKDONJSA-N	304.321	3.333	10	20	DGCD	
COc1cc(CNCC2=CCN(C)CC2)c(O)c(C(C)(C)C)c1	850239975	WVLKQRIICYKLSV-UHFFFAOYSA-N	318.461	3.050	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cc(C)ccc1O	862757294	OGDJOVJCEUAWAT-PBHICJAKSA-N	305.418	3.302	10	20	DGCD	
C[C@@H](NCc1nn(C)c2ccccc12)c1cc(F)cc(F)c1O	760895491	AJGPUTZIFZPEES-SNVBAGLBSA-N	317.339	3.408	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c(O)c1	866462899	CQJLXCZNBFQQEG-SWHYSGLUSA-N	305.340	3.299	10	20	DGCD	
C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1	768950740	SFWYTHOURHFJNR-INIZCTEOSA-N	323.440	3.492	10	20	DGCD	
C[C@@H]1CCCC[C@]1(C)n1cc(COc2ccc(N)cc2)nn1	864630650	LNYVFMXAEBPLLC-DYVFJYSZSA-N	300.406	3.365	10	20	DGCD	
C/C=C(\C)C(=O)N1CCC[C@@H]1CNCc1ccc(OC)c(C)c1	1034899724	SEESYWZKVSGWDA-DRESWSQNSA-N	316.445	3.050	10	20	DGCD	
COc1cc(C(=O)Nc2c(Cl)ccc3nonc23)ccc1C	1116850394	LOACIDZNCWTHSF-UHFFFAOYSA-N	317.732	3.446	10	20	DGCD	
COCCOCc1cccc(NCc2ccc(C)cc2O)c1	876822747	JNMXIDWKIVZYAI-UHFFFAOYSA-N	301.386	3.476	10	20	DGCD	
COc1ccc(CNCc2cc(Cl)cc(F)c2O)cc1O	776151659	RXCZTZVECPYELX-UHFFFAOYSA-N	311.740	3.189	10	20	DGCD	
C[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773018608	YNFRZKFKDKKTFU-HUUCEWRRSA-N	312.413	3.397	10	20	DGCD	
COc1cccc(CN2CCOc3c(Cl)cccc32)c1O	789570905	LDSHZHYRYBZPTB-UHFFFAOYSA-N	305.761	3.453	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCc2nc[nH]c2C12CCC2	895068182	MLCZAXNHBRQQKJ-UHFFFAOYSA-N	303.793	3.206	10	20	DGCD	
CN(CCCN1CCCC1)Cc1ccc(N2CCCC2)cc1	1204327004	LFTQHVOUJRJPGE-UHFFFAOYSA-N	301.478	3.205	10	20	DGCD	
c1ccc2c3c([nH]c2c1)C[C@@H](NCc1ccc2c(c1)CCO2)C3	799717650	IUVTYLOILFMYIH-HNNXBMFYSA-N	304.393	3.360	10	20	DGCD	
CCc1nc(NC(=O)NCc2ccc(OC)cc2O)sc1C	797631582	YVRAPWKXGJIGOX-UHFFFAOYSA-N	321.402	3.050	10	20	DGCD	
CCCN(C)c1ccc(C(=O)NCCc2ccc(N)cc2)cc1	152591514	BSWXJDHMSXPPOE-UHFFFAOYSA-N	311.429	3.088	10	20	DGCD	
CCCN(CC(=O)c1cc(C)[nH]c1C)Cc1ccccc1O	157057754	IPJYSGZJLHXVAK-UHFFFAOYSA-N	300.402	3.432	10	20	DGCD	
CO[C@H]1C[C@H](NCc2c(O)cccc2Br)C1(C)C	706885050	PGKODIZBHILMFK-STQMWFEESA-N	314.223	3.058	10	20	DGCD	
Cc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1	13994573	ONEHGIFBQJLYQJ-MRXNPFEDSA-N	301.386	3.475	10	20	DGCD	
FC(F)Oc1ccc(N2CCC(NCc3cc[nH]c3)CC2)cc1	86252566	FCQKLKCVWUBWLF-UHFFFAOYSA-N	321.371	3.375	10	20	DGCD	
Clc1cccnc1NCc1ccc(N2CCOCC2)cc1	88702882	NIFMOCODGISEIE-UHFFFAOYSA-N	303.793	3.184	10	20	DGCD	
CN(CC(=O)Nc1ccc(F)cc1Cl)Cc1ccccc1O	111235150	PATCSWYVDRJLFZ-UHFFFAOYSA-N	322.767	3.255	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@H]1CCOC1	119981499	ZRCFATYDDZZEDU-KGLIPLIRSA-N	318.442	3.310	10	20	DGCD	
Cc1cccc(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1	137465261	OEUOYGUSNVBYRO-UHFFFAOYSA-N	324.424	3.070	10	20	DGCD	
CCOc1ccc(O)c(CN[C@](C)(CO)C2CCCCC2)c1	152759325	YHWWRWSCHWIFCG-GOSISDBHSA-N	307.434	3.212	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](N3CCCC3)CC2)cc1C	153448220	JDANRTRPTSZACC-GOSISDBHSA-N	302.462	3.459	10	20	DGCD	
CC[C@H](NCCCN(C)CC(F)(F)F)c1ccccc1O	155160680	GPTHOZTYCBEETA-ZDUSSCGKSA-N	304.356	3.317	10	20	DGCD	
COc1cccc(CNC(=O)c2c(C)[nH]c3ccccc23)c1O	155427286	MQWVYVJFTKGRFW-UHFFFAOYSA-N	310.353	3.121	10	20	DGCD	
C[C@H](C(=O)Nc1c(F)cccc1F)N(C)Cc1ccccc1O	171937046	DVOWYCLTICWYSH-LLVKDONJSA-N	320.339	3.129	10	20	DGCD	
CCc1ccc([C@H](COC)NCc2cccc(OC)c2O)o1	174481182	URBZDILPWLLPCF-AWEZNQCLSA-N	305.374	3.034	10	20	DGCD	
COCCC[C@@H](C)NCc1ccc(N2CCSCC2)cc1	178204763	BRKHCQUVUYUWFB-OAHLLOKOSA-N	308.491	3.145	10	20	DGCD	
CCCCC[C@H](C)NC(=O)CN[C@H](C)c1cc(OC)ccc1O	182406348	VVDWINXUYUOJAT-UONOGXRCSA-N	322.449	3.136	10	20	DGCD	
CC[C@H]1C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCO1	184058534	ITCCMSSJLIQIKD-CABCVRRESA-N	317.429	3.092	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H]2CCCO[C@H]2CC(C)C)c1	185195621	OBKFSBMZKIHWLM-WMZOPIPTSA-N	307.434	3.474	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NC[C@@H]2CCCO2)c1O	186919287	NPAOWVWPSMTAEQ-PWSUYJOCSA-N	314.223	3.293	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1C	189430318	JXAGYDIMNVJHEQ-UHFFFAOYSA-N	305.399	3.372	10	20	DGCD	
COc1ccc(O)c(CNCc2ccc(OCC3CC3)cc2)c1	191057462	HBTBRCZEXMNUND-UHFFFAOYSA-N	313.397	3.479	10	20	DGCD	
CCc1nnc(NCc2ccc(N3CCCC3)cc2)nc1CC	192062425	DPNAETUNKQUBEJ-UHFFFAOYSA-N	311.433	3.209	10	20	DGCD	
C[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C[C@H]1n1ccnc1	248892528	SJPKRNAHUGEQES-SMDDNHRTSA-N	323.799	3.464	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1CCCc2c(F)ccc(F)c21	255195645	YUMMMDABFLLSQI-YVMONPNESA-N	300.308	3.352	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNCCCC(F)(F)F)c1O	266537521	GPHORSYYESUCEN-UHFFFAOYSA-N	312.675	3.386	10	20	DGCD	
C[C@@H](c1ccccc1)N(CC(=O)N1CCC1)Cc1ccccc1O	271995581	HBAURLQYCVUUJR-INIZCTEOSA-N	324.424	3.188	10	20	DGCD	
CC(C)CCCNCc1ccc(N2CCC(CO)CC2)cc1	275646287	CCSZYJLDQXEOLM-UHFFFAOYSA-N	304.478	3.421	10	20	DGCD	
C[C@H](NC[C@@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1O	278479054	OOZFMGWXYZYGDI-AAEUAGOBSA-N	310.388	3.338	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2nnc3n2CCCCC3)c(O)c1	284191404	RQWKTGGDKWUQRJ-CQSZACIVSA-N	314.433	3.178	10	20	DGCD	
CCc1ccc([C@H](O)CNCc2cccc(Cl)c2O)cc1	289625892	WOOFPOHHJBHZBJ-MRXNPFEDSA-N	305.805	3.431	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1C	289699164	ONQIFPFUUHOWGF-KGLIPLIRSA-N	317.351	3.002	10	20	DGCD	
CC[C@H](NCCc1nnc(C)s1)c1cccc(Cl)c1O	289926891	VFSLOWYKRFCEOE-LBPRGKRZSA-N	311.838	3.489	10	20	DGCD	
COc1ccc(O)c(CN2CCCN3c4ccccc4C[C@@H]3C2)c1	291704122	ZGSVUIYVJQVZAK-QGZVFWFLSA-N	324.424	3.038	10	20	DGCD	
CCCN(CC(=O)N(C)[C@H](C)CC(C)C)Cc1ccccc1O	303129823	BSGGWCYJNCWPKT-MRXNPFEDSA-N	320.477	3.497	10	20	DGCD	
C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1O	316072255	HPTQYJHBTKGKFX-SECBINFHSA-N	302.305	3.035	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCc1nnc2ccccn12	323914134	GSRFIUGLPJUKOG-KBPBESRZSA-N	322.412	3.124	10	20	DGCD	
Cc1c(CNC(=O)CCCn2cccc2)n(C)c2ccccc12	352126741	WORDKSWLFAYWDK-UHFFFAOYSA-N	309.413	3.385	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1	363859963	SVYLAVFDNZMQOT-BHADISHBSA-N	305.418	3.255	10	20	DGCD	
C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc(N2CCOCC2)cc1	367969367	ZARAQYHPQBJPDT-FOIQADDNSA-N	324.424	3.135	10	20	DGCD	
Cc1nc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2)no1	371404286	KUTNQRVXAPMFNX-MRXNPFEDSA-N	300.406	3.171	10	20	DGCD	
COc1ccc(N(C)C(=O)/C=C\c2cnccc2C)c(OC)c1	492452966	CSEBHQVQOKQPQK-YVMONPNESA-N	312.369	3.083	10	20	DGCD	
Cc1c(CNC(=O)N2CCC[C@H](F)C2)n(C)c2ccccc12	584533659	IRIIXEXEBSOHFB-ZDUSSCGKSA-N	303.381	3.130	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccncc1F	741212425	ONYAPUJZHCDNIP-UHFFFAOYSA-N	313.376	3.141	10	20	DGCD	
C[C@H]1CCN(CCNCc2cc(Cl)cc(Cl)c2O)C1	744449908	HWGCLENUXCLPMD-JTQLQIEISA-N	303.233	3.130	10	20	DGCD	
CC(C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	745788538	LXPTZMLBMLBRFN-OAHLLOKOSA-N	321.440	3.469	10	20	DGCD	
CC(C)(C)N1CCCN(Cc2c(O)ccc3ccncc23)CC1	748081839	DXHPQZPCHRWEPL-UHFFFAOYSA-N	313.445	3.247	10	20	DGCD	
Cc1cccc(CSCC(=O)NCc2ccccc2O)c1	748354330	JZTKZKWJWSDDIU-UHFFFAOYSA-N	301.411	3.250	10	20	DGCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cc2ccccc2o1	753981458	HJACZWNDMHNGNF-UHFFFAOYSA-N	303.339	3.248	10	20	DGCD	
Cc1ccc(C(=O)OCCCOCc2ccccc2)c(O)c1O	754805850	FPERPWXEIYDQOJ-UHFFFAOYSA-N	316.353	3.170	10	20	DGCD	
CCOc1ccc(CNC2(CC(=O)OC)CCCCC2)c(O)c1	756133001	VBFQEIQMBCLTPO-UHFFFAOYSA-N	321.417	3.147	10	20	DGCD	
C[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cc([N+](=O)[O-])ccc1O	756613913	RSKDWKNPVDKZID-PBXWNFIWSA-N	320.389	3.155	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c(O)c1	756661221	ZHISBLNFKOWEHD-GDBMZVCRSA-N	316.445	3.142	10	20	DGCD	
CC(C)O[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)C1(C)C	768450542	QXOQYONEFQXIFX-CVEARBPZSA-N	320.433	3.126	10	20	DGCD	
Cc1nc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)s1	773016820	CAMYPVXWEOQJBT-NSHDSACASA-N	317.458	3.246	10	20	DGCD	
CCOc1ncccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773017663	URDKUPDLELVWMR-ZDUSSCGKSA-N	313.401	3.037	10	20	DGCD	
CCN(CCC(F)(F)F)Cc1ccc([N+](=O)[O-])c(OC)c1O	774871277	XYIRKLIGNOSQOU-UHFFFAOYSA-N	322.283	3.083	10	20	DGCD	
CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cccc(F)c1O	778519606	JHRFUJRNVRYESC-AWEZNQCLSA-N	306.724	3.381	10	20	DGCD	
C[C@@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1	779510759	QSWUVWLZBCFVBR-PLWJUESGSA-N	311.381	3.421	10	20	DGCD	
Cn1ccc2c(NC(=O)/C=C/c3ccc(O)c(O)c3)cccc21	779513403	GYHUFPPUYYEOGE-SOFGYWHQSA-N	308.337	3.241	10	20	DGCD	
C[C@H](O)CCCN[C@H](C)c1cc(Br)cc(F)c1O	788604265	JGIRTHKKNHAORR-DTWKUNHWSA-N	320.202	3.105	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCC[C@H](C)O)c1	790084235	PZRKNIUVFMDBRN-INIZCTEOSA-N	314.429	3.293	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](CO)CC2CC2)c(C(F)(F)F)c1	793027240	IMYCRRMYLVEADM-CYBMUJFWSA-N	316.367	3.022	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(Cl)ccn2)c1	794354380	SRTAJOSNNIIKLB-VIFPVBQESA-N	321.764	3.332	10	20	DGCD	
CCOc1ccc(CNC[C@H](O)c2ccc(CC)cc2)c(O)c1	796452472	VEAHGMKZSMRQKB-IBGZPJMESA-N	315.413	3.177	10	20	DGCD	
CC[C@@H](NC[C@@]1(N(C)C)CCSC1)c1ccc(F)cc1O	796790822	WABREGQLBSQYHV-ZBFHGGJFSA-N	312.454	3.009	10	20	DGCD	
CC[C@@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1O	796837321	WOFGEKQBNWATDA-GDBMZVCRSA-N	323.408	3.300	10	20	DGCD	
CCN1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C)C1	809697652	LADAWIUJVBYPIS-SNVBAGLBSA-N	303.233	3.225	10	20	DGCD	
C[C@H](Cc1ccc(O)cc1)NCc1ccc2c(c1)CCCN2C	816542975	JIRRQBWNHLNKNA-OAHLLOKOSA-N	310.441	3.495	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCCN1C	817417371	KVKBESRJLVMQBL-IBGZPJMESA-N	301.478	3.203	10	20	DGCD	
C[C@@H]1C[C@@H](NCCc2ccc(N)cc2)CN1Cc1ccccc1	817956090	QJFBETRHANTCJI-OXQOHEQNSA-N	309.457	3.064	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CC[C@H](N)CC1CCCCC1	818076207	DHEAHBNFEMAQPC-KRWDZBQOSA-N	318.461	3.429	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)c3cncs3)C2)cc1	818344133	JNHTXNBUMANEDQ-UONOGXRCSA-N	317.458	3.329	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)nn1C(C)C	822264881	FQYYGEUZZNOLJR-UHFFFAOYSA-N	314.433	3.111	10	20	DGCD	
Cc1cc(O)c(CN[C@H](CO)Cc2ccc(F)cc2)cc1Cl	825375981	TVWRICVWSGYVNA-HNNXBMFYSA-N	323.795	3.186	10	20	DGCD	
O=C(CC1CC(F)(F)C1)NCc1c(O)ccc2c1CCCC2	826137436	RJORQYGCDFFQCZ-UHFFFAOYSA-N	309.356	3.323	10	20	DGCD	
C[C@H](NC(=O)CCCc1cccnc1)c1ccc(N(C)C)cc1	832436860	RWVCTSJJGUJWTM-HNNXBMFYSA-N	311.429	3.348	10	20	DGCD	
C[C@@H](NCCCCCCN)c1ccc(Br)cc1O	843342096	NINZAPSFJVKXJF-LLVKDONJSA-N	315.255	3.324	10	20	DGCD	
C[C@@H](N)CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1	843484233	ITCGKVIVVLGYLR-HUUCEWRRSA-N	312.413	3.219	10	20	DGCD	
Oc1ccccc1CNC[C@@H](OC1CCCC1)C(F)(F)F	850355884	MGKKNLZTBRKAGF-CQSZACIVSA-N	303.324	3.372	10	20	DGCD	
CC[C@@H](O)CNCc1ccc2c(c1)CCN2Cc1ccccc1	850374129	YEULXNUDBNTFPQ-LJQANCHMSA-N	310.441	3.110	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC(C)(C)C2)cc1	861405303	NCUCZRCDIXJQKP-UHFFFAOYSA-N	324.424	3.318	10	20	DGCD	
C[C@@H](NC[C@H]1C[C@H](O)C1)c1ccc(N2CCCCC2)c(F)c1	872127202	YHXGIGUSBXVCEI-IIAWOOMASA-N	306.425	3.238	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H](O)Cc1cccc(Cl)c1)CC2	872129179	VWBJZZHCAPSVRS-CVEARBPZSA-N	317.816	3.226	10	20	DGCD	
Cc1cc(CN(C)CC(=O)N2CCCC2)c(O)c(C(C)(C)C)c1	873984463	BQDFGPHJSAPGCX-UHFFFAOYSA-N	318.461	3.052	10	20	DGCD	
COCCc1ncc(CN(C)c2ccc(OC)c(F)c2)s1	877181084	HMBYUCMNXGLQNI-UHFFFAOYSA-N	310.394	3.116	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H]1O	897679199	IOGSWLONCUSLQQ-KDOFPFPSSA-N	316.470	3.197	10	20	DGCD	
CCN(CC)c1ccc(CN2CCCCC[C@H]2C(=O)O)cc1	902039302	SLDQPZHGPZXZRK-KRWDZBQOSA-N	304.434	3.362	10	20	DGCD	
COC(=O)[C@@H]1CCCC[C@H]1CN[C@H](C)c1cc(OC)ccc1O	930216387	GRRCVWFUAJSRLU-VNHYZAJKSA-N	321.417	3.031	10	20	DGCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)n1cccc1	1319829874	GRJMNTYWSHNCQQ-HNNXBMFYSA-N	311.429	3.306	10	20	DGCD	
Cc1coc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C	1323561699	YHGYEZPLSOOFDF-UHFFFAOYSA-N	300.358	3.002	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)cc1F	1328739798	DEQNFNLLEQXWLO-ZYSHUDEJSA-N	324.399	3.094	10	20	DGCD	
CN(Cc1ccccc1O)c1nnc(-c2ccco2)n1CC1CC1	1520474093	ARBZDWHJNAHJMP-UHFFFAOYSA-N	324.384	3.290	10	20	DGCD	
C[C@](NCc1c(O)ccc(Cl)c1F)(C(=O)O)c1ccccc1	1589128364	GUMLNEMEMQTVQW-MRXNPFEDSA-N	323.751	3.274	10	20	DGCD	
CCN1CCCc2cc(CN[C@@H](C(=O)O)C(C)(C)C)ccc21	1776875679	ZOWOBXDTSFOSSO-INIZCTEOSA-N	304.434	3.048	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCCC[C@@H]2C)c1	172072406	PNSWSNWLGFNOTN-QWHCGFSZSA-N	306.406	3.026	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc(F)ccc2O)cc1OC	176981141	BIJCVLASEBSJIZ-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccc(F)cc1	170265720	DCORIJXJUIPYRH-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)c2c(F)cccc2F)c1	305785738	XTURPCWJLGMZNP-QFYYESIMSA-N	323.339	3.063	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2ccccc2)CCC1	180911442	AVXXUBQXLZZSCF-CSKARUKUSA-N	309.365	3.307	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1c(F)cccc1F	121972191	GTAZBAFWVJPZGK-LBPRGKRZSA-N	318.367	3.451	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]2CCCC[C@@H]21	180894786	NRCLHUWCRNHVPV-VFDMCBIDSA-N	301.386	3.292	10	20	DGCD	
C[C@@H]1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C[C@@H]1C	317184465	NKGUFOQJDMUWEO-GJJFQZOLSA-N	304.346	3.175	10	20	DGCD	
CCOc1cccc(CNCc2ccc(OC)c(OC)c2)c1O	40477128	HBURTVNNXVUFRL-UHFFFAOYSA-N	317.385	3.098	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(F)c(NC(C)=O)c2)c1	237207100	BFUIJXDPOZYZKW-UHFFFAOYSA-N	304.321	3.110	10	20	DGCD	
CCCOc1ccc(CNC[C@@](C)(O)c2ccccc2)c(O)c1	265117442	DMENTFKDFZAGQW-LJQANCHMSA-N	315.413	3.178	10	20	DGCD	
C[C@H](NCCC[C@@H](C)CO)c1cc(Br)ccc1O	273545440	ZGSZOZNNZUTZMU-MNOVXSKESA-N	316.239	3.214	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCO[C@H](C)C2)cc1F	271970067	IDCJXUIFILNOIZ-HIFRSBDPSA-N	322.424	3.103	10	20	DGCD	
C[C@H](NCCC1(O)CCC1)c1ccc(Br)cc1O	284457515	UUTKUDIOHRIMLU-JTQLQIEISA-N	314.223	3.110	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2CF)cc1	296514078	ZPEWNOGYWAERNS-MRXNPFEDSA-N	307.413	3.176	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc3c(c2)C(C)(C)CO3)cc1	809969622	ZBVDRGKHWGESCN-UHFFFAOYSA-N	324.424	3.353	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H](C)C2(OC)CCOCC2)cc1	817589056	SYIZCEIYQXDILU-JKSUJKDBSA-N	320.477	3.377	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3C[C@@H](N)c4ccccc43)ccc21	817900036	JSTQKOPMTQWSJL-RTBURBONSA-N	307.441	3.303	10	20	DGCD	
CC[C@H](N[C@@H]1CCN(C)C1)c1ccc(C(F)(F)F)cc1O	810215633	ISIHBVNEWHNGDW-YPMHNXCESA-N	302.340	3.156	10	20	DGCD	
C[C@H](N[C@@H](CO)CC1CC1)c1cccc(C(F)(F)F)c1O	815598353	SLMVEHWONKHMHN-GXSJLCMTSA-N	303.324	3.223	10	20	DGCD	
Cc1cc(CN2CC[C@@H](CN3CCCCC3)C2)ccc1N(C)C	815055115	WESBEOGFZZHADI-IBGZPJMESA-N	315.505	3.369	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@H]3CC=CCC3)CC2)cc1	726560830	REOLOEACACGCGG-HNNXBMFYSA-N	314.429	3.137	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)[C@H](C)c2ccccc2)cc1F	828040674	LIYYBTKNCNUNFG-CXAGYDPISA-N	303.377	3.435	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)Nc2c(F)cccc2F)cc1	739923059	DRQPDQLIARQSRW-UHFFFAOYSA-N	320.339	3.438	10	20	DGCD	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(O)cs2)c(C)c1	731909651	HTZCVCZMFJJIMP-LLVKDONJSA-N	319.382	3.255	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1	832108334	AZDJMONFNXQRMZ-HKUYNNGSSA-N	308.425	3.339	10	20	DGCD	
CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC1CC1	830651137	BUMJKWZUMROXLW-UHFFFAOYSA-N	300.406	3.154	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(Cl)Cl	839919467	HGMBZOPTYHCCIE-NSHDSACASA-N	317.260	3.302	10	20	DGCD	
C[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1cc(Cl)ccc1O	834828551	VNSBKQATIJQIPM-NHYWBVRUSA-N	323.795	3.439	10	20	DGCD	
CCC(C)(C)OCCNCc1cc(Cl)cc([N+](=O)[O-])c1O	835085747	WDXLNFNVPKMMPM-UHFFFAOYSA-N	316.785	3.249	10	20	DGCD	
Cc1cc(C)n(CCCNCc2ccc(N(C)C)cc2C)n1	840928133	LBUNUWDBJPLQLZ-UHFFFAOYSA-N	300.450	3.054	10	20	DGCD	
CCC(C)(C)N1CCN(Cc2c(O)ccc3ccncc23)CC1	848495251	CTKNGBQNEDLNCT-UHFFFAOYSA-N	313.445	3.247	10	20	DGCD	
CCCN1CCC(N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1	840894680	RWTVMYJUEQVJQD-QGZVFWFLSA-N	317.521	3.456	10	20	DGCD	
CCOc1ccc(O)c(CNCCNC2CCCCCC2)c1	841028719	QYCDVUDABISCED-UHFFFAOYSA-N	306.450	3.193	10	20	DGCD	
COc1cccc([C@@H](C)NCCCN2CCCC[C@@H]2C)c1O	846138986	ZGYYTEDKRLFDEV-LSDHHAIUSA-N	306.450	3.316	10	20	DGCD	
C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)CC(F)(F)F	840245760	YBHQWURLYXYRGJ-LLVKDONJSA-N	317.355	3.140	10	20	DGCD	
COCC[C@H](C)CN[C@H](C)c1ccc(Br)cc1O	840835879	RLZHMQMKMYXJRG-WDEREUQCSA-N	316.239	3.478	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(OCCO)cc1	840927296	MHJYKJXZLFBJFS-UHFFFAOYSA-N	300.402	3.044	10	20	DGCD	
CCC[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCCC1	841914900	AITJPMWMURKQMN-KRWDZBQOSA-N	303.450	3.469	10	20	DGCD	
O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cc(O)cs1	753849828	GDMDGWSHTFEGSK-IUODEOHRSA-N	317.410	3.351	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccoc1	751301477	DTUUABWINRRQLS-UHFFFAOYSA-N	304.309	3.242	10	20	DGCD	
C[C@@H](NCCC(C)(C)N)c1cc(Br)cc(F)c1O	925736773	BZOUPTDBTDPWSF-MRVPVSSYSA-N	319.218	3.072	10	20	DGCD	
CCn1ccnc1[C@H](C)NCc1c(O)cccc1Br	858172118	KLCYEDFOSUWJSG-JTQLQIEISA-N	324.222	3.222	10	20	DGCD	
COC(=O)c1coc(CN2CCCCc3cc(OC)ccc32)c1	766271211	YBSGSDFOQCTVOY-UHFFFAOYSA-N	315.369	3.418	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2cnc(C)s2)c1	866454865	HKQYJBIYJXJUQC-VHSXEESVSA-N	320.414	3.356	10	20	DGCD	
COc1ccc(CN(C)Cc2c(O)cccc2OC)cc1C	769231729	CVTDJDJUEMQUPR-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
CCCCCn1cc(CNCc2cc(OC)ccc2O)c(C)n1	776254468	WUQOMCKWAFGPCY-UHFFFAOYSA-N	317.433	3.386	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1	770632191	YRKHFVHFNSPTIK-QZTJIDSGSA-N	312.413	3.127	10	20	DGCD	
O=C(N[C@@H]1CCCOc2c(F)cccc21)c1cc(O)cs1	778513406	AXCJVQPHIXZDAK-GFCCVEGCSA-N	307.346	3.237	10	20	DGCD	
Cc1ccc(CNCc2ccnc(N3CCCCC3)c2)c(O)c1	877147074	ZLBJWKZIMVKJLG-UHFFFAOYSA-N	311.429	3.376	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(O)cc1F	777797211	PMBPXVIMUJDJQI-UHFFFAOYSA-N	300.333	3.384	10	20	DGCD	
CC1CCN(c2ccc(CNCC[C@H]3CCOC3)cc2)CC1	783623168	HWGSFFFELYCXIQ-SFHVURJKSA-N	302.462	3.439	10	20	DGCD	
CCc1cccc(CN2CCC[C@H](Cc3nc(C)no3)C2)c1O	897577878	ZZICLIBMTQQEDS-CQSZACIVSA-N	315.417	3.101	10	20	DGCD	
COc1ccc(CNCCNC(=O)[C@@H]2CCC[C@H](C)C2)cc1C	1133077258	SGKNSQUMFFUXBA-WMLDXEAASA-N	318.461	3.036	10	20	DGCD	
COc1ccc(CN2CC[C@@H](c3ccccc3)C2)c(O)c1OC	891629108	AODJQMJYLMLBAF-OAHLLOKOSA-N	313.397	3.399	10	20	DGCD	
CN1C(=O)/C(=C\c2cnn(C3CCC3)c2)c2cc([N+](=O)[O-])ccc21	899381396	PUNAFINFJZNKDC-CHHVJCJISA-N	324.340	3.033	10	20	DGCD	
C[C@H]1COC(C)(C)CN1Cc1cc(C(C)(C)C)cc(O)c1O	792727212	KBNQFEUGOVDYGD-LBPRGKRZSA-N	307.434	3.395	10	20	DGCD	
O=C(NCCCSc1nccs1)N[C@H]1CCC[C@@H](F)C1	1329253955	QDKIZMKPASCYHK-MNOVXSKESA-N	317.455	3.205	10	20	DGCD	
CC(C)CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)C	1323291317	QNUGZGRBNITWTH-UHFFFAOYSA-N	321.484	3.444	10	20	DGCD	
Cc1nc(CSCC(=O)N[C@H](C)c2ccccc2O)cs1	1329882213	UEEIWGCLTDFDEW-SNVBAGLBSA-N	322.455	3.268	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@](C)(C(=O)O)c1ccccc1	1333125027	ORSJFVRNKMFARF-IBGZPJMESA-N	312.413	3.151	10	20	DGCD	
CC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(N)cc1	1346738955	LHECNJPXFKYLIA-GOSISDBHSA-N	309.413	3.488	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H]3CC[C@@H](CN)C3)cc2)CC1	1576735248	YIZJFTOBKLYJJM-MSOLQXFVSA-N	301.478	3.140	10	20	DGCD	
Cc1cc(O)c(CNc2cnc3c(c2)C[C@H](N)CC3)c(Cl)c1	1579638444	XLYRZRSEEZTYCY-GFCCVEGCSA-N	317.820	3.177	10	20	DGCD	
Cc1cc(CN2CCc3ccccc3[C@@H]2C(=O)O)ccc1N(C)C	1594302620	ALSLTVQNEHFYGB-LJQANCHMSA-N	324.424	3.245	10	20	DGCD	
CCN(CCNCc1cc(Cl)cc(Cl)c1O)C1CC1	101931776	DGKDKGTXAALRAD-UHFFFAOYSA-N	303.233	3.273	10	20	DGCD	
CC[C@H](NC[C@@H](C)N(C)C)c1cc(Br)ccc1O	38088593	PITVOJDKQATGSC-MFKMUULPSA-N	315.255	3.146	10	20	DGCD	
CC(C)C[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	43432346	LAMKKDQSVRPUAF-LLVKDONJSA-N	306.189	3.288	10	20	DGCD	
CCOC(=O)CN(Cc1cccs1)c1ccc(OC)cc1	72982617	BYUXCZOJFFJFLG-UHFFFAOYSA-N	305.399	3.326	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](N3CCCC3)C2)cc1	92757364	VKTZLTMSJKFQQL-LJQANCHMSA-N	301.478	3.203	10	20	DGCD	
CC(C)OC(=O)[C@H](C)N(C)Cc1cc(Cl)cc(Cl)c1O	93773133	KVSICJOBBKVREO-VIFPVBQESA-N	320.216	3.471	10	20	DGCD	
CCCCCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	98093654	UKKZGZNUHXQNJN-UHFFFAOYSA-N	318.461	3.092	10	20	DGCD	
CN(C(=O)NCc1ccc(N2CCCC2)cc1)C1CCCC1	172310223	LBMYKJVNPVBAOG-UHFFFAOYSA-N	301.434	3.371	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C[C@@H]3C=CCCC3)CC2)cc1	186058482	SOEPXTDTIHLGRJ-MRXNPFEDSA-N	314.429	3.090	10	20	DGCD	
CC(=O)N1CCCN(Cc2cc(-c3ccccc3)ccc2O)CC1	271042078	NSPMDEOBCOYNAQ-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2cccc(-n3cncn3)c2)c(O)c1	293771081	PPJQLAFFSGLLFD-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
COC(=O)c1cnc(SC[C@H](O)CCc2ccccc2)s1	295951922	ITAXGTQIKXHEIN-GFCCVEGCSA-N	323.439	3.016	10	20	DGCD	
CCCN(Cc1nn(C)c2ccccc12)c1ccc(CN)cc1	321257763	PQYGATVFYYXTKG-UHFFFAOYSA-N	308.429	3.449	10	20	DGCD	
COc1cc(C)cnc1C(=O)NCc1c(C)c2ccccc2n1C	348697222	HMOFIFCTBIBBRY-UHFFFAOYSA-N	323.396	3.129	10	20	DGCD	
O=C(NCC1(N2CCCCC2)CCCCC1)c1cc(O)cs1	732265285	SQTQAINTRRWILY-UHFFFAOYSA-N	322.474	3.372	10	20	DGCD	
CCN(CC)Cc1ccc(C(=O)N(C)Cc2ccccc2O)o1	746876535	KDBAKRBMFGFEKN-UHFFFAOYSA-N	316.401	3.099	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cnn(C(C)C)c2)c1	747557008	RVZGKSKXDYURIJ-NSHDSACASA-N	318.377	3.061	10	20	DGCD	
CCOCc1cc(CNC[C@H]2CCN(C(C)C)C2)ccc1OC	747852778	GFXBUAWMYDKMNY-QGZVFWFLSA-N	320.477	3.052	10	20	DGCD	
CO[C@@H]1CCN(Cc2c(O)ccc3oc4c(c23)CCCC4)C1	751942884	ZZEISROXNPROOY-GFCCVEGCSA-N	301.386	3.238	10	20	DGCD	
CC(C)C[C@@H](CN[C@@H](C)c1cc(F)cc(F)c1O)N(C)C	756400002	SMDNPDMJRKSLTI-AAEUAGOBSA-N	300.393	3.297	10	20	DGCD	
C[C@H](N[C@H]1CCN(C2CC2)C1)c1cc2c(cc1O)CCCC2	756545696	ODKXZXFIAFFLHA-BBRMVZONSA-N	300.446	3.158	10	20	DGCD	
C[C@@H](NC[C@@]1(C)CCOC1)c1ccc(Br)cc1O	756573359	JDKPPZKUIRXWIP-QMTHXVAHSA-N	314.223	3.232	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2CC(=O)N(C(C)(C)C)C2)c2c(O)ccc(F)c21	756736446	NWIMQEAFIMBAJS-NQBHXWOUSA-N	320.408	3.069	10	20	DGCD	
CC[C@@H](NCc1cc(Cl)cc(OC)c1O)C1CCOCC1	761215463	LURVZCXHCKLLJJ-CQSZACIVSA-N	313.825	3.349	10	20	DGCD	
C[C@H](NC(=O)c1coc(C2CCC2)n1)c1ccc(N(C)C)cc1	766910001	MRICGYSFHXVVOJ-LBPRGKRZSA-N	313.401	3.499	10	20	DGCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1ccc[nH]1	773425457	UWYDLLQRTKHMRP-OLZOCXBDSA-N	300.406	3.202	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CC(N)=O)C2CCCCC2)cc1	773841924	XVWSYALQKZJQME-SFHVURJKSA-N	317.477	3.057	10	20	DGCD	
CCC[C@]1(C(=O)OCC)CCCN1Cc1cccc(C)c1O	775186028	ZIALXWDARBZLNQ-GOSISDBHSA-N	305.418	3.398	10	20	DGCD	
CC[C@H](NCCCOCCOC)c1cc(Cl)ccc1O	775484691	HNJKOWJCMPTJFC-AWEZNQCLSA-N	301.814	3.139	10	20	DGCD	
COC(=O)CC1(NCc2cccc(Cl)c2O)CCCCC1	779431642	ALCIGGWFQNVBHT-UHFFFAOYSA-N	311.809	3.401	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2cn[nH]c2)c1	779540242	PSHPLOYRRQYQBJ-ALCCZGGFSA-N	321.336	3.140	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)N1CCOc2c(Cl)cccc21	784073190	JQLFOPWAEAOACV-AATRIKPKSA-N	314.772	3.482	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)NCc1cc(Cl)cc(F)c1O	786577691	CWEYPVMOWBRKAQ-HNNXBMFYSA-N	323.795	3.186	10	20	DGCD	
Cc1ccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2O)nc1	789595416	UJVGHSQKCIBRIM-UHFFFAOYSA-N	321.764	3.289	10	20	DGCD	
Nc1ccc(NCc2c(O)ccc3c2CCCC3)c([N+](=O)[O-])c1	811808883	SKDBKYHNZICXDX-UHFFFAOYSA-N	313.357	3.374	10	20	DGCD	
CCOc1cccc(CNc2cccc(OC(=O)NC)c2)c1O	813791925	VRFNSKGVGNNZEF-UHFFFAOYSA-N	316.357	3.121	10	20	DGCD	
COc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1O	814185648	MDWBXIQQSZLLFX-MDWZMJQESA-N	321.423	3.155	10	20	DGCD	
Cc1cc(CN2CC[C@H](N3CCCCC3)C2)ccc1N(C)C	815041852	FHAADFILOYJAFG-SFHVURJKSA-N	301.478	3.121	10	20	DGCD	
COc1cccc(CNC(=O)c2cc(F)ccc2Cl)c1O	815834386	GXSOSSQSTCCVBS-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
C[C@H]1CCC[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1	817935809	DWAYUDXANUSIMU-SMDDNHRTSA-N	315.442	3.235	10	20	DGCD	
O=C(NCCc1cc2ccccc2s1)c1cccc(O)c1O	818270668	YSSVVWOBHDOEAO-UHFFFAOYSA-N	313.378	3.285	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)C=C3CCCC3)C2)cc1	819582969	NVQYRCKOECXCLL-MRXNPFEDSA-N	314.429	3.138	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3cccc(F)n3)C2)cc1	819937008	YLJYHHOCKDTYDA-CYBMUJFWSA-N	301.365	3.168	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccn(CC)n2)cc1	824913404	RPUCGGNIWXZCIO-UHFFFAOYSA-N	315.421	3.071	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1Cl	825391022	OHBABEWNFVQTPC-WQVCFCJDSA-N	307.821	3.401	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccnn1C(F)F	830141896	ZXKRGGVSNSZHNL-UHFFFAOYSA-N	309.316	3.036	10	20	DGCD	
CO[C@@H](CC(C)C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	841347376	RNIFJVHNQJQGAL-QAPCUYQASA-N	320.477	3.169	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2nc(C)cs2)cc1	844401746	PNQOFYRMGRFKQN-UHFFFAOYSA-N	305.447	3.028	10	20	DGCD	
C[C@@H](COCC1CC1)NCc1cccc(Br)c1O	846074001	VDGZCHPGEVKKIH-JTQLQIEISA-N	314.223	3.059	10	20	DGCD	
COc1cc(CNC[C@H](CO)C(C)C)c(O)c(C(C)(C)C)c1	850298187	TYNABHPYSSBTAF-CQSZACIVSA-N	309.450	3.052	10	20	DGCD	
C[C@H]1C[C@H](NCc2c(C3CC3)cnn2C)c2c(O)ccc(F)c21	850535598	XRRHKDLLUYEDOC-HZMBPMFUSA-N	315.392	3.480	10	20	DGCD	
CN(CCc1ccccn1)Cc1c(O)cccc1Br	862324706	SSPPWMOBOHNTEU-UHFFFAOYSA-N	321.218	3.224	10	20	DGCD	
CCC[C@H](CCO)N[C@H](C)c1ccc(Br)cc1O	866414348	DYTKNPWDZDOYRX-ZYHUDNBSSA-N	316.239	3.356	10	20	DGCD	
COc1cc(Cl)cc(CNc2cncc(N(C)C)c2)c1O	877668045	MTKAAZHWKZUMRB-UHFFFAOYSA-N	307.781	3.127	10	20	DGCD	
CCOC(=O)[C@@H]1CC[C@@H](N[C@H](C)c2ccccc2O)C[C@H]1C	877755515	CZOWFVNGMCHQJQ-KBUPBQIOSA-N	305.418	3.411	10	20	DGCD	
C[C@H](NC[C@H](O)c1c(F)cccc1F)c1c(O)cccc1F	886550436	ZTVASUZNRBXMMG-XPTSAGLGSA-N	311.303	3.194	10	20	DGCD	
Cc1cc(/C=C2\SC(=S)N(C3CCC3)C2=O)cnc1F	899260939	VKVRQRXPWWCXKS-WDZFZDKYSA-N	308.403	3.283	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2C[C@H]2C)cc1	916639642	OFANGZWBEQCSRR-GDBMZVCRSA-N	303.450	3.330	10	20	DGCD	
C[C@H]1C[C@@H](N2CCCC2)CN1Cc1ccc(N2CCCC2)cc1	1117630217	PNDDIFRFKILZNM-FXAWDEMLSA-N	313.489	3.345	10	20	DGCD	
C[C@@H](NC(=O)NC1(C(F)(F)F)CC1)c1ccc(N(C)C)cc1	1119863633	GBOXRFIJNDOHPC-SNVBAGLBSA-N	315.339	3.208	10	20	DGCD	
Cc1ccc(C(C)(C)CNC(=O)NCc2ccc(N)cc2)cc1	1120589709	IAZLUPWWZNSZRI-UHFFFAOYSA-N	311.429	3.354	10	20	DGCD	
C[C@H]1CCN(c2nnc(-c3sccc3O)n2C)CC12CCC2	1121366520	QDTZQLZNGNVWGD-NSHDSACASA-N	318.446	3.266	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCc2c(O)nnc(C)c2C)cc1	1320577784	QGIDPNFJCMCJNW-AWEZNQCLSA-N	314.433	3.106	10	20	DGCD	
CN[C@@H](C)CCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1	1329023676	MQVXFSLVLLVMOV-LSDHHAIUSA-N	307.457	3.465	10	20	DGCD	
C[C@H](NC[C@H]1[C@H]2c3ccccc3C[C@H]21)c1cc(C(=O)O)ccc1O	1593251728	KSFDAOGGPFAFCW-XNKSSIQNSA-N	323.392	3.327	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(C(=O)O)ccc2O)C12CCC2	1610034666	UBSMXLTVBNFHKB-KNXALSJPSA-N	319.401	3.089	10	20	DGCD	
COc1ccc2ccc(O)c(CN3C[C@H](C)O[C@H](C)C3)c2c1	16075999	UDKJLTDJDPJWGG-BETUJISGSA-N	301.386	3.163	10	20	DGCD	
COC[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	68968482	CLENURCLNBFHBY-CYBMUJFWSA-N	300.402	3.167	10	20	DGCD	
COc1cccc(CNC(=O)NC[C@H]2CCC[C@@H](C)C2)c1O	73831894	XYXPZPWCWYQTQR-OLZOCXBDSA-N	306.406	3.026	10	20	DGCD	
Cc1cccn2cc(CNCc3cc(Cl)ccc3O)nc12	76895288	GFYRWXAMPVLOMF-UHFFFAOYSA-N	301.777	3.292	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1	92066056	UECOEFAOGXPMQS-XLIONFOSSA-N	313.489	3.201	10	20	DGCD	
Cc1ccc2c(CC(=O)N(C)Cc3ccccc3O)c[nH]c2c1	101948895	UYFICMQFROHALX-UHFFFAOYSA-N	308.381	3.383	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1	114543171	BNCLCGOSMFDWKZ-HOCLYGCPSA-N	303.402	3.255	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ncccc1F	132517668	UPOTYEDATQYJAN-UHFFFAOYSA-N	317.364	3.048	10	20	DGCD	
CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCOC1	157427460	MGAGRHLGFWFEDR-KXBFYZLASA-N	318.461	3.069	10	20	DGCD	
CCN(CC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1	171976770	BEMXMOFSCLRSON-UHFFFAOYSA-N	301.434	3.228	10	20	DGCD	
O=C(CCC1CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1	175267469	KYUZKACRUPZEQY-QGZVFWFLSA-N	317.429	3.480	10	20	DGCD	
Cc1cscc1C(=O)NCc1ccc2c(c1)CCCN2C	176270234	YEFPYSGDXDPIEC-UHFFFAOYSA-N	300.427	3.369	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)CCCOC)cc1F	182733489	FTZWEYWLQIUMLW-CQSZACIVSA-N	324.440	3.351	10	20	DGCD	
COc1cc(O)c(CN[C@H]2CCCO[C@@H]2CC(C)C)cc1OC	187679543	XEKDZUYPUSPJIM-GOEBONIOSA-N	323.433	3.093	10	20	DGCD	
Cc1csc(C2(NC(=O)c3cccc(O)c3O)CCCC2)n1	188483071	GMDFYOATPDZWOC-UHFFFAOYSA-N	318.398	3.062	10	20	DGCD	
O=S(=O)(c1ccco1)N(Cc1ccccc1O)C1CCCC1	188711784	UIIFEQVMYXPJGV-UHFFFAOYSA-N	321.398	3.119	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccn(C)c1	268568311	HKICAAQHOJVRPI-UHFFFAOYSA-N	311.429	3.288	10	20	DGCD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(O)c(O)c1	272278844	FJFSFWRADPHGRY-MRRJBJDNSA-N	321.417	3.088	10	20	DGCD	
COc1ccc(OC)c(CN[C@@H](C)c2cc(F)ccc2O)c1	273412825	QDWXNNBCTVRHFZ-NSHDSACASA-N	305.349	3.399	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2cccs2)c1O	278270285	RRDZHYGMZCWCOW-UHFFFAOYSA-N	308.359	3.003	10	20	DGCD	
CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccccc1O	291104717	WOZIQSDLHVDKNH-UHFFFAOYSA-N	323.400	3.010	10	20	DGCD	
CCc1nsc(NCc2ccc(N3CCSCC3)cc2)n1	301447306	QPSGQJCHBBVREY-UHFFFAOYSA-N	320.487	3.266	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCc3nc(C)ncc3C2)cc1	370671053	LQROBLJEFYMQQX-KBXCAEBGSA-N	324.472	3.449	10	20	DGCD	
Cc1ccc(OCC(=O)NCc2c(C)c3ccccc3n2C)cc1	471225030	YYRGSFGUOKTLQB-UHFFFAOYSA-N	322.408	3.490	10	20	DGCD	
CCC[C@@H](CNCc1c(O)cccc1Br)OC	706835046	KLDCYWFKTJYOOG-JTQLQIEISA-N	302.212	3.059	10	20	DGCD	
C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc(O)cs1	732278278	GGLMIWGIRLFEIV-SECBINFHSA-N	318.423	3.424	10	20	DGCD	
CC(C)C[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1	748819125	CMYWRENXSDVKIF-QGZVFWFLSA-N	303.450	3.473	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2ccc(Br)cc2O)ncn1	756777096	UTZTXHSARCUCGW-JTQLQIEISA-N	322.206	3.104	10	20	DGCD	
CO[C@H](CN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21)C(F)(F)F	756835120	MTYWDSQPRBUXOH-JVUFJMBOSA-N	307.287	3.247	10	20	DGCD	
COc1ccc2c(c1)CCCCN2CC(=O)N1CCC(C)CC1	766267539	CFPPMWOJLBBCRM-UHFFFAOYSA-N	316.445	3.096	10	20	DGCD	
CCN(C)c1ccc(CN(C)Cc2ccc(OC)c(O)c2)cc1	773766743	VCVQGHVEUFEJIQ-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
c1cc2c(cc1CNCc1nc3c(s1)CCCC3)CCO2	776342666	KLQJOLUWTYKSGO-UHFFFAOYSA-N	300.427	3.247	10	20	DGCD	
CN(Cc1ccccc1O)C(=S)NCCc1ccc(F)cc1	789194915	SWKHVLDGHJCTGO-UHFFFAOYSA-N	318.417	3.080	10	20	DGCD	
CC[C@@H](NC[C@@H](O)C(C)C)c1ccc(C(F)(F)F)cc1O	810219975	YYVMCDOHWBJIAN-TZMCWYRMSA-N	305.340	3.469	10	20	DGCD	
CC[C@H](NCCn1cccn1)c1ccc(C(F)(F)F)cc1O	810224397	WTUZSBDTYOSULA-ZDUSSCGKSA-N	313.323	3.348	10	20	DGCD	
CO[C@@](C)(C(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1	812486084	CYJCWGKODJZBQU-LJQANCHMSA-N	316.445	3.108	10	20	DGCD	
C[C@H](CN[C@H](C)c1cccc(C(F)(F)F)c1O)CN(C)C	815627809	KEFQACVOZNQIIL-GHMZBOCLSA-N	304.356	3.259	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H](C)[C@@H]3CCCN3)cc2)CC1	817902525	SKKMUDPIIZVUAM-LPHOPBHVSA-N	301.478	3.153	10	20	DGCD	
C[C@H]1CCCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817903543	FFVDKRXUQUPBQZ-LBPRGKRZSA-N	315.442	3.331	10	20	DGCD	
CC[C@H](N[C@@H]1CCCNC1)c1ccc(C(F)(F)F)cc1O	817941896	SVYIAVYWXXFMHL-YPMHNXCESA-N	302.340	3.204	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@@H](CN)C1)c1ccc(Cl)c(Cl)c1O	817982233	PRISUSHKAPYJHC-IVZWLZJFSA-N	303.233	3.477	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3CC[C@@H]3C3CC3)C2)cc1	818341827	HINNPCYXYFTJHB-ZMYBRWDISA-N	300.446	3.300	10	20	DGCD	
CC[C@H](COC)NCc1ccc(OCc2ccccc2)cc1O	825297533	HPTDVZNBVSBMDN-QGZVFWFLSA-N	315.413	3.486	10	20	DGCD	
Cc1cc(CN2CCC[C@H](CO)C2)ccc1N1CCCCC1	827354386	OXLIRXXPMMGJOM-SFHVURJKSA-N	302.462	3.190	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)[C@H](C)c2ccccc2)c(OC)c1	828474179	CQYXTHLVJSYKCE-RDTXWAMCSA-N	315.413	3.305	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cc1	832108338	AZDJMONFNXQRMZ-MJGOQNOKSA-N	308.425	3.339	10	20	DGCD	
CCC1(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1	840486256	YYHBQRJTUPKXMG-CQSZACIVSA-N	303.450	3.234	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCC[C@H]1C1CC1	840954197	ALNJCQMVGGCJSD-ICSRJNTNSA-N	314.473	3.439	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@@H](C)c1ccc(Cl)cc1O	841758040	KBQQCFLOGYQXNT-GXTWGEPZSA-N	314.857	3.053	10	20	DGCD	
C[C@H](CCO)N(C)Cc1ccc(OCc2ccccc2)cc1O	846110736	KOFLYDLHSHEDIH-OAHLLOKOSA-N	315.413	3.174	10	20	DGCD	
COc1cc(CNc2cnn(CCF)c2)c(O)c(C(C)(C)C)c1	858246593	XEHFKEILHQUXMW-UHFFFAOYSA-N	321.396	3.476	10	20	DGCD	
C[C@@H](N[C@H]1CC[C@H](CN)CC1)c1cc2c(cc1O)CCCC2	873239802	CXXOKEXCFHYNRS-CKEIUWERSA-N	302.462	3.439	10	20	DGCD	
Cc1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(O)c1	876811577	LIILZWLXWIVCGA-YJBOKZPZSA-N	300.446	3.149	10	20	DGCD	
CN(CC1CC1)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	888591646	BCNTXWYAHGGLPF-UHFFFAOYSA-N	321.384	3.270	10	20	DGCD	
COc1ccc([C@@H](C)NCc2ccc(OC)c(OC)c2O)cc1	892743222	LLSQGKIKFBGABM-GFCCVEGCSA-N	317.385	3.269	10	20	DGCD	
COc1cc(C)cc(CNc2cccc(N3CCC3=O)c2)c1O	894595917	LQMUQSHLISUPKP-UHFFFAOYSA-N	312.369	3.058	10	20	DGCD	
CS[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C1	894881255	UUHUACSHTXIOPN-SNVBAGLBSA-N	320.227	3.231	10	20	DGCD	
C[C@@H](NCCO[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1	927086365	SOOVEEIXCSASSL-VQIMIIECSA-N	318.461	3.133	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)cc(Cl)n2)c1	934940328	LMXLKZARLBLIEP-JTQLQIEISA-N	320.776	3.249	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)C(=O)Nc1c(Cl)ccc2nonc12	1324856485	BVFCHQDPUWWHHJ-ZCFIWIBFSA-N	320.736	3.223	10	20	DGCD	
CCOc1ccc(N2CCN(C[C@@H](O)CCC(C)C)CC2)cc1	1344438603	FTBDNTJEWNBWRB-SFHVURJKSA-N	320.477	3.004	10	20	DGCD	
COc1ccc(CNc2ccc(CN(C)C)cc2)c(O)c1OC	1351963241	QLWREHDALYXCIT-UHFFFAOYSA-N	316.401	3.083	10	20	DGCD	
COc1ccc(CN[C@H](C)c2cc(C)oc2C)c(O)c1OC	1355242456	BCPSTJFVDGXPKE-LLVKDONJSA-N	305.374	3.470	10	20	DGCD	
O=C(O)c1ccccc1CNCc1cc(Cl)c(F)cc1O	1606523289	IITSUSJYYIUWLB-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)c(F)cc2F)c1	178205136	HQFYUSUOQNFTAE-JTQLQIEISA-N	321.323	3.478	10	20	DGCD	
CC[C@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)CCO1	54572179	UZOIDAPTHVMCKY-AWEZNQCLSA-N	318.442	3.407	10	20	DGCD	
CCOCCNC(=O)N(Cc1ccccc1O)C1CCCCC1	173720331	NBXHJINWVYPDTN-UHFFFAOYSA-N	320.433	3.273	10	20	DGCD	
COc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1	172592279	CYIBKHYFTOJOGA-UHFFFAOYSA-N	323.396	3.393	10	20	DGCD	
C[C@H](c1ccccn1)N(C)C(=O)NCc1ccc(N(C)C)cc1	126768872	RJEITSYANCAMQY-CQSZACIVSA-N	312.417	3.050	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCOCC(F)(F)F)c1	182367613	SNSDPLYGINFTIZ-JTQLQIEISA-N	307.312	3.020	10	20	DGCD	
CCCOc1ccc(CNc2nnc(-c3ccco3)o2)c(O)c1	181486266	KSIUJUZZLLPUPO-UHFFFAOYSA-N	315.329	3.436	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cccn2C)c1O	79395878	VDJXZEDHVMBCLH-KRWDZBQOSA-N	316.376	3.410	10	20	DGCD	
COc1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1OC	128491734	SQUJKDKXHSJIQT-UHFFFAOYSA-N	314.429	3.402	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H]2Cc3ccccc32)c1O	228673376	GIJZTJDZPUWVND-LBPRGKRZSA-N	303.789	3.484	10	20	DGCD	
CCCCO[C@@H]1C[C@H](NCc2cccc(OC)c2O)C1(C)C	236853486	WLNICQRQJIHVRJ-JKSUJKDBSA-N	307.434	3.474	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](C)O[C@H](C)C1	245505003	LIRHKOLVWPPFIB-MIFYACCESA-N	320.433	3.270	10	20	DGCD	
CCc1cc(C(=O)NCc2c(C)c3ccccc3n2C)c(C)nn1	527184269	YYNIARBYALXBAK-UHFFFAOYSA-N	322.412	3.078	10	20	DGCD	
CCN(CCN[C@H](C)c1ccccc1O)C(=O)OC(C)(C)C	183484693	XCBMHTLYKQOAMK-CYBMUJFWSA-N	308.422	3.300	10	20	DGCD	
Cc1c(C(=O)NCc2ccccc2O)cnn1C1CCCCC1	272616029	AVGJIGCAFMQFEX-UHFFFAOYSA-N	313.401	3.332	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)N[C@H](CO)c2c(F)cccc2F)c1	273526985	VMCJIAPVSVZCJJ-IAQYHMDHSA-N	307.340	3.363	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]2C2CCC2)c1O	278267600	READPIDCULIUAG-ZDUSSCGKSA-N	306.362	3.074	10	20	DGCD	
CC(C)[C@@H](C)CC(=O)NCc1cccc(Br)c1O	277558611	PCRLBIQHGJKROC-JTQLQIEISA-N	314.223	3.453	10	20	DGCD	
COc1cc(CCO)ccc1NCc1cccc(Cl)c1O	281077322	UECJBKMDWMPEGV-UHFFFAOYSA-N	307.777	3.201	10	20	DGCD	
CN(C)c1ccc(CNCC[C@@H](O)c2ccccc2)cc1F	289517209	VDDUVVOUGGWXIU-GOSISDBHSA-N	302.393	3.105	10	20	DGCD	
C[C@H](NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(F)cc1O	289673068	HIHNDBQICZQGGE-BOFPYLFWSA-N	315.388	3.348	10	20	DGCD	
COc1cc(O)c(CN2CC3(CCC3)[C@@H]2C2CC2)cc1OC	291561459	NDMCKEGKBOXPKE-KRWDZBQOSA-N	303.402	3.174	10	20	DGCD	
Cc1ccc(N2C(=O)/C(=C/c3cnccn3)SC2=S)cc1	809153610	ZCFNMVRGRBORSG-JYRVWZFOSA-N	313.407	3.191	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccsc1	800888474	FJAJTLWPDDDVED-OAHLLOKOSA-N	315.486	3.351	10	20	DGCD	
COC(=O)Nc1cccc(CN[C@@H]2CCc3cccc(O)c32)c1	297376873	QTTZNOJTXQVWLR-OAHLLOKOSA-N	312.369	3.348	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1O	808706210	FFOKXCRKBLQJTC-AAEUAGOBSA-N	324.852	3.404	10	20	DGCD	
CC[C@H](CC(=O)NCc1ccc(N)cc1)c1ccc(OC)cc1	297131695	HJAIIEGIJCLXAJ-OAHLLOKOSA-N	312.413	3.478	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)OC[C@H]2CCCO2)cc1	804945113	QGBZGHPWNQZTLU-QGZVFWFLSA-N	320.433	3.280	10	20	DGCD	
Cn1ncc(NCc2cc3c(cc2O)OCO3)c1-c1ccccc1	808423961	MEAJLYBELOYNSS-UHFFFAOYSA-N	323.352	3.134	10	20	DGCD	
COc1cc(CN(C)C[C@H]2CCCN2C)c(O)c(C(C)(C)C)c1	817372488	IYBFCPVDWDHLGO-OAHLLOKOSA-N	320.477	3.224	10	20	DGCD	
Cc1c(F)cccc1C(=O)N(C)Cc1ccc(N(C)C)cc1	817515231	ITCWETUEFBDGOR-UHFFFAOYSA-N	300.377	3.472	10	20	DGCD	
C[C@@H](NC[C@H](C1CC1)N(C)C)c1cccc(C(F)(F)F)c1O	815562154	YNUXXUAMJBPNJY-QMTHXVAHSA-N	316.367	3.402	10	20	DGCD	
COc1ccc(O)c(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1	824893532	UVUKHWFAGIQYAZ-SJORKVTESA-N	317.429	3.182	10	20	DGCD	
CCn1nc(C)c(CNCc2cc(Cl)c(C)cc2O)c1C	825197519	NNRDQNRSUJRILS-UHFFFAOYSA-N	307.825	3.477	10	20	DGCD	
CCN(C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)c1ccccc1	827931141	ZUJHDTIMXDPTEE-RDTXWAMCSA-N	312.413	3.262	10	20	DGCD	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(O)cs1	823359099	HFQIQVQFYAFMFI-UHFFFAOYSA-N	320.370	3.413	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cccc(Br)c2O)c2nccn21	825017678	XDBWVJZTRWCUSP-JOYOIKCWSA-N	322.206	3.147	10	20	DGCD	
CC(C)(C)N1CC[C@H](NCc2cc(Cl)c(F)cc2O)C1	826867051	GFBYYKFPVGFJQC-NSHDSACASA-N	300.805	3.147	10	20	DGCD	
COCCCOC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	729075098	AAROISONXCEXTL-UHFFFAOYSA-N	317.385	3.296	10	20	DGCD	
COc1ccc(N(CC(=O)N[C@H](C)C(C)C)CC(C)C)cc1	729475661	UYABKQIOILKQBA-OAHLLOKOSA-N	306.450	3.318	10	20	DGCD	
C[C@@H]1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1	728196874	PXCRECPCJSIPIV-CYBMUJFWSA-N	311.381	3.171	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[C@@H]1c1ccccc1	827316430	AWXPPPKCIXAOFU-CVEARBPZSA-N	311.381	3.298	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)C3)cc2)CC1	731120985	JMFMNXRMWUAAGW-MRXNPFEDSA-N	315.461	3.474	10	20	DGCD	
C[C@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)O	737717972	QRVYVKAJDTUDIE-JTQLQIEISA-N	314.297	3.438	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C23CCC(CC2)C3)cc1	844856739	TYCMPSKXFFDDSK-UHFFFAOYSA-N	316.445	3.170	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC3(CCNC3)CC2)cc1	843125909	CIRJXYWMQIUKMS-UHFFFAOYSA-N	301.478	3.108	10	20	DGCD	
O=C(NCc1ccccc1O)N[C@H](c1cccs1)C1CC1	748462227	CEGDXPWVSDINKD-HNNXBMFYSA-N	302.399	3.404	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCCCCN1CCCC1	840949170	POUWBTXZDKQSJV-UHFFFAOYSA-N	303.494	3.417	10	20	DGCD	
CCC[C@H](O)CC(=O)N(Cc1ccco1)Cc1ccccc1O	752088204	VYFIAEZOINSBMB-HNNXBMFYSA-N	317.385	3.065	10	20	DGCD	
Cc1ccc(CCNCc2cc(F)c(N(C)C)cc2F)cn1	858133504	RUJHLMHIISKTSQ-UHFFFAOYSA-N	305.372	3.067	10	20	DGCD	
O=S(=O)(/C=C\c1ccccc1Cl)NCc1ccccc1O	751151684	UKRHHVFZIVFNLU-KTKRTIGZSA-N	323.801	3.136	10	20	DGCD	
Cc1cccc([C@H](O)CN[C@@H](C)c2cc(F)cc(F)c2O)c1	756762754	RAHWXZPBWGQJSC-MEDUHNTESA-N	307.340	3.363	10	20	DGCD	
COc1cccc(OC)c1CNCCCSc1nccs1	753863446	YCPSBALVBFNHJI-UHFFFAOYSA-N	324.471	3.432	10	20	DGCD	
c1cc2ncnc(NCc3ccc(N4CCCC4)cc3)c2cn1	752628790	XZHCZIDIMKHAHN-UHFFFAOYSA-N	305.385	3.237	10	20	DGCD	
C[C@H](NCC[C@@H](C)N1CCCCC1)c1cc([N+](=O)[O-])ccc1O	757659427	XUINIBASHUJOIU-KGLIPLIRSA-N	321.421	3.216	10	20	DGCD	
Cc1cc(F)ccc1COC(=O)/C=C/c1ccc(O)c(O)c1	759596295	UEPMLIXFPDQVIS-XVNBXDOJSA-N	302.301	3.302	10	20	DGCD	
COc1ccc(N2CCN(C(=O)CCC3(C)CC3)CC2)cc1F	934402827	AZRJKXRPGMRWPD-UHFFFAOYSA-N	320.408	3.063	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCSC1	762116555	WWIYPIBHHXRINI-OAHLLOKOSA-N	304.459	3.046	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNC[C@H]1CCCN1CC(F)F	862468859	QIWXEDKWRNSMGJ-LLVKDONJSA-N	322.758	3.004	10	20	DGCD	
Cc1cc(CNC(=O)[C@H]2C[C@]23CCOC3)c(C)n1-c1ccccc1	863166277	WIKJDXYMJBUVRD-QUCCMNQESA-N	324.424	3.137	10	20	DGCD	
CN(C)c1ccc(CN=c2cc[nH]cc2Br)cc1F	775457721	FVBMXUBPKVJEAG-UHFFFAOYSA-N	324.197	3.083	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)nc1	775370739	PVMHBHMIZOKBOY-LBPRGKRZSA-N	302.374	3.045	10	20	DGCD	
CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccccc1Cl	776304315	UBTJGVBRISTESH-CMDGGOBGSA-N	317.776	3.205	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)NC1CCCCC1	772798100	OEQLWEPCEDZMCV-HNNXBMFYSA-N	318.461	3.442	10	20	DGCD	
Cc1cc(C(=O)NCCCSc2nccs2)ccc1O	779382174	ZUTHFUYSTMFVRR-UHFFFAOYSA-N	308.428	3.069	10	20	DGCD	
COc1cccc(CN[C@H](C)c2c(O)cccc2F)c1OC	886507727	XAASBDSTBIFGHS-LLVKDONJSA-N	305.349	3.399	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1cnoc1	880796646	HGIIYVPHDPPOJT-UHFFFAOYSA-N	315.398	3.116	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2CCN(C3CCCCC3)C2)c1O	895273195	JBCFKWPTWYPBPM-MRXNPFEDSA-N	318.461	3.206	10	20	DGCD	
CC(C)[C@@H](CNCc1ccc(N(C)C)c(F)c1)c1ccnn1C	788077568	XOFZCJRRRYWNEX-OAHLLOKOSA-N	318.440	3.155	10	20	DGCD	
CC(C)Cn1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	890031103	QALMOSPSBMNWKW-CQSZACIVSA-N	314.433	3.096	10	20	DGCD	
COc1ccc(CNCc2ccc(OCC3CC3)cc2)c(O)c1	793386778	ZMZMSJYFPQKNCS-UHFFFAOYSA-N	313.397	3.479	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C)CC2)c(O)c1	793171119	MNGQZEQMBMACEI-TZMCWYRMSA-N	306.406	3.169	10	20	DGCD	
Cc1cc(CC(=O)OC[C@H](C)O)c(C)n1-c1ccc(Cl)cc1	791626603	IPAIOOFAZXMRNZ-LBPRGKRZSA-N	321.804	3.214	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c(O)c1	792934979	BJFIMYPRNCAJIH-SLEUVZQESA-N	306.406	3.025	10	20	DGCD	
CC(C)[C@@H](C)C(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089844437	BXNPUMKVJBZZIA-CQSZACIVSA-N	319.424	3.156	10	20	DGCD	
Cc1cc(O)c(CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1C	1319561885	JZIZFORXIJQMAN-UHFFFAOYSA-N	312.369	3.476	10	20	DGCD	
CC(C)(C)OCCCNCc1cc(Br)ccc1O	695293231	CWUQURZWYMEMRG-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
Cc1csc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1	1327374392	DMKNHCHGPBUTGJ-LBPRGKRZSA-N	317.458	3.187	10	20	DGCD	
Cc1ccc(O)c(CNCc2ncc(Br)s2)c1	714928331	WQGDUMRPHIBZFM-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
COc1ccc(CNCCCC(F)F)cc1Cn1cccn1	1334233054	OXSNWMCIGSTZEY-UHFFFAOYSA-N	309.360	3.075	10	20	DGCD	
O=C(O)CN(CCc1ccccc1)Cc1cccc(Cl)c1O	1602056657	CHTCGECGOBIAAK-UHFFFAOYSA-N	319.788	3.175	10	20	DGCD	
COc1ccc(CN[C@H](C)CN(C)C(=O)CCC(C)C)cc1C	1755577663	PJYRFGSBDWOMJO-MRXNPFEDSA-N	320.477	3.376	10	20	DGCD	
COc1ccc(CNCC[C@H](C)NC(=O)[C@H](C)C(C)C)cc1C	1754007464	MYBUVYWZLVIRII-JKSUJKDBSA-N	320.477	3.280	10	20	DGCD	
CCN1CCc2cc(CN[C@H]3CCCC[C@]3(C)C(=O)O)ccc21	1776877434	HZUFDKICFZFHAI-HKUYNNGSSA-N	316.445	3.192	10	20	DGCD	
COCCC(C)(C)NCc1c(O)cccc1Br	706872862	QSBGZWIAPVJSMZ-UHFFFAOYSA-N	302.212	3.059	10	20	DGCD	
COc1ccccc1NC[C@@H](O)COc1c(C)cccc1C	32186286	BOOFVXDYCUDPOO-OAHLLOKOSA-N	301.386	3.164	10	20	DGCD	
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nccs2)c1C	52913973	PGBIVBYBXHRRGX-SECBINFHSA-N	324.427	3.238	10	20	DGCD	
Cc1noc([C@@H]2CCCN(Cc3cc(C)c(C)cc3O)C2)n1	60126768	QGBZMMUKBCDERH-CQSZACIVSA-N	301.390	3.080	10	20	DGCD	
Oc1cc2c(cc1CN1CCSC3(CCCCC3)C1)OCO2	80301269	GGMHILOQVDHIPF-UHFFFAOYSA-N	321.442	3.373	10	20	DGCD	
CC(=O)c1csc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1	106637968	IINDKLDFXABVTM-UHFFFAOYSA-N	320.389	3.086	10	20	DGCD	
CS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1	117400742	BDSGCWVYKCFANM-GOEBONIOSA-N	321.490	3.226	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C1CCC1	127779743	FFIAGTBEYPABSU-CQSZACIVSA-N	303.450	3.473	10	20	DGCD	
Cc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c(C)n1	152412658	BGMHLWCHNNMTJN-UHFFFAOYSA-N	316.380	3.225	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cc(C)cc(F)c2)c1O	152840387	QNKBMAJCDYPPGY-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
Cc1cnc([C@@H](NC(=O)c2ccc(C)c(O)c2O)C2CC2)s1	179517988	LCEZSLMIIZWQBE-LBPRGKRZSA-N	318.398	3.052	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c(O)c1O	182577296	BLKTYJNOMLLVJT-DZGCQCFKSA-N	311.381	3.424	10	20	DGCD	
Oc1c(Cl)cccc1CN[C@H]1CCO[C@]2(CCSC2)C1	182636151	USYZMBOXLJPGEE-SWLSCSKDSA-N	313.850	3.190	10	20	DGCD	
C[C@H](NC[C@H]1CCCN(C)C1)c1cc2c(cc1O)CCCC2	185404174	IHJHDYDQWAYAPQ-LSDHHAIUSA-N	302.462	3.263	10	20	DGCD	
C[C@H](N[C@@H]1CCCOCC1)c1cc(Br)ccc1O	186233963	NQDLCSAZGIVAKV-CMPLNLGQSA-N	314.223	3.374	10	20	DGCD	
CC[C@@H](Nc1ccc(OCCC(N)=O)cc1)c1ccccc1O	192717852	VTCJDRCYMNIEIN-MRXNPFEDSA-N	314.385	3.210	10	20	DGCD	
COc1cc(Cl)cc(CNCCOCCC(C)C)c1O	228672614	RJRAIBGQKZLFIA-UHFFFAOYSA-N	301.814	3.207	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cccc(N(C)C)c2)c1	271854005	RYLAHIPKQFWYIL-ZDUSSCGKSA-N	300.402	3.318	10	20	DGCD	
COCc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	273391218	KUSGNUZWGPOYED-GFCCVEGCSA-N	316.357	3.298	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(SC)cn2)c1	273446597	FEHFYCQMFBDXOM-SNVBAGLBSA-N	318.398	3.469	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)CNC(=O)OC(C)(C)C)cc1C	274399049	MLDAXXZNUNCJMB-CYBMUJFWSA-N	308.422	3.012	10	20	DGCD	
CCc1ccc([C@@H](O)CN[C@@H](C)c2cc(OC)ccc2O)cc1	276456802	VLTMEAZPTKRHOY-DJJJIMSYSA-N	315.413	3.347	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC2CCN(c3nccs3)CC2)c1	281158239	BGIJTGIURHAGRH-ZDUSSCGKSA-N	317.458	3.477	10	20	DGCD	
CC[C@@H](NCCC(=O)N1CCCCC1)c1cccc(Cl)c1O	287826476	VLZMVLULPCGKFT-OAHLLOKOSA-N	324.852	3.489	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@H](n2cccn2)C1	291203732	HVHIOEBIUVTPQX-LBPRGKRZSA-N	312.200	3.343	10	20	DGCD	
COc1ccc(O)c(CNC[C@@]2(C)OCCc3sccc32)c1	291653108	URVDAUYQYGECAK-QGZVFWFLSA-N	319.426	3.040	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCCCOC[C@@H]2CCCO2)c(O)c1	293630675	HNORCKDQGKGDFM-CVEARBPZSA-N	307.434	3.245	10	20	DGCD	
CC(C)c1nnc(CNCc2cc(Cl)cc(Cl)c2O)[nH]1	294756452	ISHYKFIAHUMMDU-UHFFFAOYSA-N	315.204	3.230	10	20	DGCD	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(F)ccc(O)c1O	294762132	BHIZUIDIHLIGQF-WCQYABFASA-N	315.344	3.255	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCC(=O)N1CCCCC1	322661333	FYCVAOUACQKONV-GJZGRUSLSA-N	316.445	3.241	10	20	DGCD	
CC1(C)C[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1	732822397	DRSRAMFIJSXXEX-OAHLLOKOSA-N	301.434	3.132	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1cccc(NC(=O)C(C)C)c1	738965809	LYQMYFPCFFVZRH-UHFFFAOYSA-N	317.341	3.460	10	20	DGCD	
CCN(CC(=O)NCc1ccccc1C)c1ccc(OC)cc1	746110001	ZLSWDSASWGPIHD-UHFFFAOYSA-N	312.413	3.146	10	20	DGCD	
COc1cccc2c1CC[C@H](NCc1ccc(N(C)C)cc1)C2	756032405	QDZPFMVHDWIFGE-KRWDZBQOSA-N	310.441	3.408	10	20	DGCD	
C[C@@H](NCCCC(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1O	756629303	PBYAUKYENGZZJD-LLVKDONJSA-N	324.377	3.073	10	20	DGCD	
CCc1nc(CN(C)Cc2cc(OC)c(OC)cc2O)cs1	768440971	BXBVJDLGZBVHTD-UHFFFAOYSA-N	322.430	3.060	10	20	DGCD	
CC(C)O[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C1(C)C	768450556	QXOQYONEFQXIFX-JKSUJKDBSA-N	320.433	3.126	10	20	DGCD	
C[C@@H]1Cc2ccccc2N(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768463290	QZQPLHXKPVMWBL-XIKOKIGWSA-N	311.381	3.017	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCO[C@@H](c2cccc(Cl)c2)C1	768728207	AWGMDZRKRZYARG-CYBMUJFWSA-N	323.801	3.321	10	20	DGCD	
CCCN(Cc1c(O)cccc1OC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	769470249	JPDLVTXSNZHWRT-FSPWUOQZSA-N	319.445	3.426	10	20	DGCD	
CC[C@H]1CN(Cc2cc(Cl)ccc2O)[C@H](CC)CN1C(C)=O	769494942	CBEKDRZYYLBGND-CVEARBPZSA-N	324.852	3.267	10	20	DGCD	
C[C@@H](CC(F)(F)F)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773447413	IVGPOZAINUGEFC-QWRGUYRKSA-N	317.355	3.454	10	20	DGCD	
CC(C)(C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccn1	773784058	CUOLLGHIGHTETF-UHFFFAOYSA-N	323.440	3.276	10	20	DGCD	
COc1ccc(O)c(CN(C)CCCOc2ccc(F)cc2)c1	775655329	DTGJLHJTBBHNLM-UHFFFAOYSA-N	319.376	3.441	10	20	DGCD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C2	779475546	KODZOJHFGSKBLR-PHEQYHOASA-N	315.413	3.442	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1C[C@@H]1C1CCCCC1	779486382	WQDCPFNMKZABGD-UEDYQVLESA-N	301.386	3.196	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	779525694	QUQKZAIUPGKNOS-MERXGUHPSA-N	301.386	3.196	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@]2(C)CCCOC2)cc1	781112802	GCBBSYMZNSMERB-IBGZPJMESA-N	318.461	3.308	10	20	DGCD	
CCc1ccc(CNC(=O)NCc2ccc(OC)cc2O)s1	792809869	DOCZGLNYDUJGPO-UHFFFAOYSA-N	320.414	3.024	10	20	DGCD	
CC[C@@]1(NCc2ccc(N(C)C)cc2C(F)(F)F)CCOC1	793179053	XSZDHJYTUNHVRD-OAHLLOKOSA-N	316.367	3.430	10	20	DGCD	
Cc1cccc(CN2CCN(C)[C@H](Cc3ccccc3)C2)c1O	793619607	IHSBLLBHGXEQGJ-LJQANCHMSA-N	310.441	3.059	10	20	DGCD	
CC[C@H](C)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1	794763970	OSRZREAQPHJZRV-HNNXBMFYSA-N	304.434	3.170	10	20	DGCD	
c1cc2c(cc1CCCNCc1ccc3c(c1)CCO3)CCO2	795912256	PZKNAPDBUPRKEA-UHFFFAOYSA-N	309.409	3.279	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1	798005702	YRGNKTKLZZVZNC-GDIGMMSISA-N	300.446	3.362	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnc2ccccn12	801546526	SFHJMZZIFJOGKP-UHFFFAOYSA-N	323.396	3.482	10	20	DGCD	
c1cc(C2CC2)cc(NCc2ccc(N3CCOCC3)cc2)n1	810175442	MHRRTIGTGLUDOR-UHFFFAOYSA-N	309.413	3.408	10	20	DGCD	
CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCCC1	817908170	BGTVTTKYCRYUMT-UHFFFAOYSA-N	315.442	3.331	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC[C@@H]3C[C@H]4C=C[C@H]3C4)C2)cc1	818219413	FIUHEMAIYRXHNL-XSLAGTTESA-N	312.457	3.323	10	20	DGCD	
CN(C)c1ccc(CNc2cccc(CC(=O)O)c2)cc1F	818391175	VEXZKIGBNZWKLN-UHFFFAOYSA-N	302.349	3.131	10	20	DGCD	
COc1ccc(N2CC[C@H](CNCC3(SC)CC3)C2)cc1	822493981	CWJWMNHIRFIGRT-CQSZACIVSA-N	306.475	3.007	10	20	DGCD	
COc1ccc(N(C/C=C(/C)C(=O)O)Cc2ccco2)cc1F	832383237	BVRZPZIIMSEGLJ-GHXNOFRVSA-N	319.332	3.465	10	20	DGCD	
C[C@@H]1C[C@H](NCc2nn(C)cc2Cl)c2c(O)ccc(F)c21	834882137	GAQLLRLDYPISOK-KCJUWKMLSA-N	309.772	3.256	10	20	DGCD	
C[C@H](NC[C@@]1(C)CCC(=O)N1)c1cc(Cl)c(Cl)cc1O	834908564	KLBNURUBPAKJNN-RMLUDKJBSA-N	317.216	3.018	10	20	DGCD	
CC[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(OC)cc1O	836559683	RRGRQSJRKGZOJB-STQMWFEESA-N	306.406	3.026	10	20	DGCD	
CO[C@](C)(C1CC1)[C@H](C)NCc1c(O)ccc(Cl)c1F	840961125	QRFOYZVOVOKVOF-VFZGTOFNSA-N	301.789	3.478	10	20	DGCD	
Nc1ccc(Cc2nc(-c3ccnc(OC4CCC4)c3)no2)cc1	843193468	JPRVHTJUXHYLPA-UHFFFAOYSA-N	322.368	3.236	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1	843449382	WYMYLNRSHSSJBQ-OAHLLOKOSA-N	314.351	3.439	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@](C)(O)c2cccs2)c1O	846144341	KMAYGKQSOMIXGC-BZNIZROVSA-N	307.415	3.021	10	20	DGCD	
COc1cc(CN2CCO[C@@H]3CCC[C@@H]32)c(O)c(C(C)(C)C)c1	863306674	OFWDUSYZVFLKFX-DLBZAZTESA-N	319.445	3.452	10	20	DGCD	
CC1(F)CCN(C(=O)NCCCSc2nccs2)CC1	875374778	PXNGEOHPTJJURN-UHFFFAOYSA-N	317.455	3.159	10	20	DGCD	
Cc1ccc(CNC(C)(C)c2cn(-c3ccccc3)nn2)c(O)c1	877111978	PTGYOZXFKWTMEW-UHFFFAOYSA-N	322.412	3.306	10	20	DGCD	
CN(C)c1cc(F)c([C@H]2Nc3ccccc3C(=O)N2C)cc1F	877844411	HCFFXZSADPAIPG-INIZCTEOSA-N	317.339	3.227	10	20	DGCD	
C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cccnc1	901707347	UXVHXHSYHNDSGZ-HNAYVOBHSA-N	312.461	3.101	10	20	DGCD	
CCC[C@@H](C)C[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	904003551	JKJYBSYOKQCOFK-NOZJJQNGSA-N	301.333	3.040	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)Nc1ccccc1	921731719	NERVBULPBPOPSY-CQSZACIVSA-N	310.397	3.128	10	20	DGCD	
Cc1ccccc1[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	935310112	IGOGGGXXUCVQSP-KGLIPLIRSA-N	313.397	3.257	10	20	DGCD	
Cc1ccccc1CN1CCCN(Cc2ccc(N)cc2)CC1	1120263526	RFCPUNDDWFBFIC-UHFFFAOYSA-N	309.457	3.285	10	20	DGCD	
COc1ccc(CN[C@@H](C)C[C@H](C)NC(=O)C2CCC2)cc1C	1133464671	CGOXCLDXPTZQGX-GJZGRUSLSA-N	318.461	3.177	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@@H](C)NC(=O)C(C)C)cc1C	1133764575	JBYJKMMXPQVDFZ-HUUCEWRRSA-N	306.450	3.033	10	20	DGCD	
CNC(=O)C1CCC(N[C@H]2C[C@@H](C)c3c(C)ccc(O)c32)CC1	1320249377	YJCUZDKUWFVNMD-URGYJCLVSA-N	316.445	3.143	10	20	DGCD	
Cn1c([C@H]2CCCN2Cc2ccc(N)cc2)nc2ccccc21	1345159264	DNYNICKQAYVKBF-GOSISDBHSA-N	306.413	3.493	10	20	DGCD	
O=C(O)CCCN(Cc1ccccc1)Cc1cccc(F)c1O	1601990059	KZUSCIRJYCVUKG-UHFFFAOYSA-N	317.360	3.398	10	20	DGCD	
CCOc1cccc(CN2Cc3ccc(C(=O)O)cc3C2)c1O	1610045556	VFFCENTUHGPTEW-UHFFFAOYSA-N	313.353	3.005	10	20	DGCD	
COc1cc(OC)cc([C@@H](Sc2nccs2)C(=O)O)c1	1610305872	GCEMEBUYAFEWRC-LLVKDONJSA-N	311.384	3.078	10	20	DGCD	
CCCOc1ccc(CNCc2ccc(C(=O)O)cc2O)cc1	1776821900	WFTVJLWALSABBW-UHFFFAOYSA-N	315.369	3.169	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)cc1	15832732	RJHVLTDKPLGBQM-UHFFFAOYSA-N	324.211	3.384	10	20	DGCD	
Nc1ccc(CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	37042558	PXKATQDXNVJWIF-WCQYABFASA-N	300.324	3.049	10	20	DGCD	
CC(=O)Nc1cccc(NC(=O)N(C)Cc2ccccc2O)c1	47388886	FNCBMXJACJVWGD-UHFFFAOYSA-N	313.357	3.015	10	20	DGCD	
Cc1c([C@@H](C)NCc2cccc(Br)c2O)cnn1C	48797121	VSAHEXJHMWFXNN-SECBINFHSA-N	324.222	3.047	10	20	DGCD	
CSCC[C@@H](C)NC(=O)NCCCSc1nccs1	153749658	CLOLURZYAYFRGJ-SNVBAGLBSA-N	319.521	3.066	10	20	DGCD	
CN(C)[C@@H](CNCc1cccc(Cl)c1O)c1cccs1	159730625	MDYMCBGSKMZUNK-ZDUSSCGKSA-N	310.850	3.500	10	20	DGCD	
O=C(CC[C@H]1CCCCO1)NCc1ccc(N2CCCC2)cc1	171958643	COMYTVLBASURPQ-GOSISDBHSA-N	316.445	3.252	10	20	DGCD	
Oc1ccccc1CNC1(c2cccc(F)c2)CCOCC1	174647676	SCFWBFVPQZJVIY-UHFFFAOYSA-N	301.361	3.327	10	20	DGCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1	175012802	GMOQLPMIKZEAHY-TZIWHRDSSA-N	320.436	3.273	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(OC(F)F)cc1	180591156	LXVXRXNPONTKJT-KRXBUXKQSA-N	321.279	3.351	10	20	DGCD	
CCOc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(O)c(O)c1	180974905	YHSGTZBMDQETHR-VMPITWQZSA-N	324.336	3.020	10	20	DGCD	
COc1cc(Cl)cc(CN[C@H](C)CN2CCCCC2)c1O	228670928	BHMDABGREFSMOO-GFCCVEGCSA-N	312.841	3.018	10	20	DGCD	
CC(C)(NCc1cc2c(cc1O)OCO2)c1ccc(F)cc1	236700560	FMCKFOZBRLKWHR-UHFFFAOYSA-N	303.333	3.285	10	20	DGCD	
CCN(Cc1nc(O)c2sccc2n1)c1ccc(OC)cc1	264237392	UFHVQSHBYXEBSL-UHFFFAOYSA-N	315.398	3.432	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCn1cccc1	269450913	CPFQQXVCYXHSMH-UHFFFAOYSA-N	313.445	3.383	10	20	DGCD	
COc1cccc(CN(C)Cc2cc(OC)c(OC)cc2O)c1	271058918	BPJVFPSJFTZCNP-UHFFFAOYSA-N	317.385	3.050	10	20	DGCD	
CCC(CC)NC(=O)NCc1cccc(Br)c1O	278447826	UFILOHVSGSDDAE-UHFFFAOYSA-N	315.211	3.143	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCC[C@H]2C[C@@H](C)O)c1O	280487450	ONCJRFICLFRQMY-RISCZKNCSA-N	313.825	3.180	10	20	DGCD	
CCOC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCC1	285313663	WVXRATUBDLMGIK-UHFFFAOYSA-N	316.445	3.252	10	20	DGCD	
C[C@@H](C(=O)NCc1ccccc1O)[C@H]1OCCc2sccc21	293675144	KJUXENIBWBQVPY-BDJLRTHQSA-N	317.410	3.020	10	20	DGCD	
C[C@H](CCCCO)N[C@H](C)c1cc(Br)ccc1O	296236005	CGSSYTUOFFSJGO-GHMZBOCLSA-N	316.239	3.356	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NCc2ccco2)C2CC2)cc1	298846433	IHGIDDPVROPVTN-UHFFFAOYSA-N	313.401	3.220	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c1O	319274562	RVXRAXOGAGZZJH-MWDDYTRKSA-N	303.377	3.212	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2C[C@H]3CC=CC[C@H]3C2)c([N+](=O)[O-])c1	324448589	KEDSGNFFAINCIQ-FZBZROKSSA-N	314.341	3.095	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC2(CCCC2)C1	368751530	SLSOYQCBOADBFK-UHFFFAOYSA-N	311.429	3.148	10	20	DGCD	
CSCC(C)(C)C(=O)NCc1c(C)c2ccccc2n1C	410071452	CNHWNTSAULUQCZ-UHFFFAOYSA-N	304.459	3.492	10	20	DGCD	
COC[C@H](NCc1cc(Br)cc(F)c1O)C(C)C	715745217	OZSTXWUOPYQCIY-LBPRGKRZSA-N	320.202	3.054	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCOCC1CC1	731011463	MOVVPYORNZGMLL-UHFFFAOYSA-N	318.442	3.312	10	20	DGCD	
CN(Cc1cc(Cl)c2c(c1)OCO2)Cc1ccccc1O	731843510	MENILXHPFWHPFN-UHFFFAOYSA-N	305.761	3.406	10	20	DGCD	
O=[N+]([O-])c1cc(CNCc2ccco2)ccc1N1CCCCC1	743503727	LOAKZLUPIRWTEP-UHFFFAOYSA-N	315.373	3.468	10	20	DGCD	
CCOc1ccc(N(CC)Cc2occc2C(=O)OC)cc1	746158586	BIPARVXYFPONGN-UHFFFAOYSA-N	303.358	3.491	10	20	DGCD	
O=C(NCc1ccccc1O)c1cc(-c2ccccc2F)on1	748345248	AUGDHPUGZJJDGW-UHFFFAOYSA-N	312.300	3.116	10	20	DGCD	
CCC1CCC(N(CCO)Cc2cccc(OC)c2O)CC1	754154463	PALSXGYEVPZBSO-UHFFFAOYSA-N	307.434	3.164	10	20	DGCD	
c1ccc2nc(NCCNCc3ccc4c(c3)CCO4)ccc2c1	754243881	JACCSDVVGDPOMO-UHFFFAOYSA-N	319.408	3.371	10	20	DGCD	
C[C@H](NC1CC(C)(C)NC(C)(C)C1)c1cc([N+](=O)[O-])ccc1O	756362547	JVCMWVUWMFLSKY-NSHDSACASA-N	321.421	3.260	10	20	DGCD	
CCC[C@H](O)CN[C@@H](C)c1cc(Br)c(F)cc1O	756578003	UQHLDGIBLCRITA-IUCAKERBSA-N	320.202	3.105	10	20	DGCD	
CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C1CCOCC1	756627883	IUSNFQABUHQUKL-ABAIWWIYSA-N	308.378	3.156	10	20	DGCD	
Cc1occc1CN[C@H](C)c1ccc(N2CCOCC2)cc1	765396850	NIDIEZBXSQHCKH-CQSZACIVSA-N	300.402	3.275	10	20	DGCD	
CN1CCCc2cc(CNC(=O)[C@H](F)c3ccccc3)ccc21	768990742	ZYWIWOQQYJOFLF-GOSISDBHSA-N	312.388	3.396	10	20	DGCD	
Cc1cccc(CN(C)Cc2cc(Br)ccc2O)n1	769480781	OVMJEYAZYDRMEG-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
COCCC(C)(C)NCc1cc(Br)cc(C)c1O	776229752	CRAQANSPMXYXQP-UHFFFAOYSA-N	316.239	3.368	10	20	DGCD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)o1	778926724	FNODIFLCHMZMQY-FZMZJTMJSA-N	315.369	3.063	10	20	DGCD	
CC[C@@H](N[C@H](CO)c1cccc(F)c1)c1ccc(F)cc1O	796819442	XNGJNFIXYZURFW-HZPDHXFCSA-N	307.340	3.445	10	20	DGCD	
COc1cc(CN2CCC3(CCO3)CC2)c(O)c(C(C)(C)C)c1	799954904	GKLZHBPTOFMBGC-UHFFFAOYSA-N	319.445	3.453	10	20	DGCD	
CN1CCN(c2ccc(CNC3(C(F)F)CCCC3)cc2)CC1	808451352	JCOHRYYCOYAUNE-UHFFFAOYSA-N	323.431	3.106	10	20	DGCD	
CCOc1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c(O)c1	816656612	YXWOHLHGDULREI-SFHVURJKSA-N	317.429	3.182	10	20	DGCD	
CC[C@@H](NC[C@H]1CCCN1)c1ccc(Cl)c(Cl)c1O	817952631	RYNBLUBQXZHACU-BXKDBHETSA-N	303.233	3.492	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)c3nccs3)C2)cc1	818343224	ZRHUJVOSQBDAIY-ZIAGYGMSSA-N	317.458	3.329	10	20	DGCD	
Cc1ccncc1CC(=O)NCc1ccc(N2CCCCC2)cc1	824262573	ZFLDNHRVCYHTJD-UHFFFAOYSA-N	323.440	3.239	10	20	DGCD	
CCS(=O)(=O)Cc1ccc(NCc2cc(C)ccc2O)cc1	825316048	JLELLZOQUMJDIW-UHFFFAOYSA-N	319.426	3.247	10	20	DGCD	
CC[C@H]1CN(C(=O)/C=C(\C)c2cnccn2)c2ccccc2O1	826559233	IJFUMAPCYRDXRK-UELRPHRMSA-N	309.369	3.084	10	20	DGCD	
CC[C@H](C)N(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840488741	NGSUBGYADBFRRE-CABCVRRESA-N	305.466	3.432	10	20	DGCD	
COc1ccc([C@H](CO)CN[C@H](C)c2ccc(C)cc2O)cc1	840808816	MRILIEHZFBJMII-ZBFHGGJFSA-N	315.413	3.136	10	20	DGCD	
C[C@H](NCCN(C)CC(F)(F)F)c1ccc(Cl)cc1O	841765449	YNPHNGWNSSXOCI-VIFPVBQESA-N	310.747	3.190	10	20	DGCD	
CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)CO1	845125039	KPUGBDOOLHZRDQ-JJRVBVJISA-N	319.449	3.023	10	20	DGCD	
COc1cccc([C@H](C)NC2CCN(CC(C)C)CC2)c1O	846139552	VHDQAZBGJXLOMN-AWEZNQCLSA-N	306.450	3.172	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccnc(SC)c2)c1O	846145990	FAUZEAIMUDVREU-LLVKDONJSA-N	304.415	3.369	10	20	DGCD	
COc1cccc([C@H](C)NCc2ccc3cnn(C)c3c2)c1O	846169296	GLBLCLDKBXFKFZ-LBPRGKRZSA-N	311.385	3.138	10	20	DGCD	
CCc1cccc(CN[C@@H]2CCO[C@@H](c3ccncc3)C2)c1O	848916696	WMAVIJQXLWHTBM-QZTJIDSGSA-N	312.413	3.360	10	20	DGCD	
COc1cc(CNCCC[C@H](C)CO)c(O)c(C(C)(C)C)c1	850226881	UHNJNHUMFGSGQM-ZDUSSCGKSA-N	309.450	3.197	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cn2cc(C)ccc2n1	860048714	BKPQKKIWOGQAHP-UHFFFAOYSA-N	323.396	3.401	10	20	DGCD	
CCC[C@H](CCO)NCc1cc(C)cc(Br)c1O	865663660	VODSEQMMWZXUFW-GFCCVEGCSA-N	316.239	3.104	10	20	DGCD	
Cc1ccc(CNCC2(NC(=O)OC(C)(C)C)CCC2)c(O)c1	877308541	VTJXSXZSZQKTFN-UHFFFAOYSA-N	320.433	3.238	10	20	DGCD	
CC(C)N(C(=O)CN[C@H](C)c1ccccc1O)C1CCCC1	879648262	HDYLWIMHTNONAI-CQSZACIVSA-N	304.434	3.222	10	20	DGCD	
C[C@@H](Cc1cccnc1)NCc1cccc(Br)c1O	897969443	JQUCICIDVUZRJF-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1	903447736	BUDQXFCOXAWCEH-CZUORRHYSA-N	318.490	3.163	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cn3ccccc3n2)cc1	916503022	ZSEHWSFZCBUGES-UHFFFAOYSA-N	322.412	3.111	10	20	DGCD	
CCc1nc([C@H](C)N[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)n[nH]1	1254728942	AIJDFSPXADFSHV-SDDRHHMPSA-N	300.406	3.280	10	20	DGCD	
COC1CCC(CC(=O)Nc2c(Cl)ccc3nonc23)CC1	1324142293	ZRKUNSUJKYQIFI-UHFFFAOYSA-N	323.780	3.410	10	20	DGCD	
COc1ccc(CNc2ccc(N(C)C)cc2C)c(O)c1OC	1334916721	BRQDEKKAEGOVRG-UHFFFAOYSA-N	316.401	3.396	10	20	DGCD	
Cc1ccc(F)c(CN(C)C(=O)NCc2ccc(N)cc2)c1	1579705992	JYCSXMXXJGZJAL-UHFFFAOYSA-N	301.365	3.058	10	20	DGCD	
CC1CCC(NCc2ccc3c(c2)CCCO3)(C(=O)O)CC1	1776629580	OVTUCCXSMDHYPR-UHFFFAOYSA-N	303.402	3.135	10	20	DGCD	
CCOC(=O)[C@H]1CCCN(Cc2c(O)ccc3ccccc23)C1	1461281	QVCOJNSOQPFNPA-HNNXBMFYSA-N	313.397	3.321	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccsc1	60678814	ZQRFHDWUPMGDGT-UHFFFAOYSA-N	302.443	3.405	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1cc([N+](=O)[O-])ccc1Cl	70088981	OSUPBKSIGBCEME-UHFFFAOYSA-N	311.677	3.427	10	20	DGCD	
Cc1ccc(O)c(CN(C)CC(=O)Nc2cc(F)cc(F)c2)c1	93012688	HPUMZWALSHBPJD-UHFFFAOYSA-N	320.339	3.049	10	20	DGCD	
COC(=O)[C@H](C)CN(Cc1c(O)ccc2ccccc12)C1CC1	102652998	FKGMKKXSXJNKCL-CYBMUJFWSA-N	313.397	3.319	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)Nc1ccc(F)c(Cl)c1	119326055	VDCORFAUHPSAES-UHFFFAOYSA-N	310.712	3.212	10	20	DGCD	
c1ccc2[nH]c(CNCc3ccc(N4CCOCC4)cc3)cc2c1	119732392	VRHYQRHWUFCGHF-UHFFFAOYSA-N	321.424	3.294	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCC2CCN(C(C)=O)CC2)cc1	151041620	FJYHDHBCMMJGCF-HNNXBMFYSA-N	317.477	3.052	10	20	DGCD	
CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCC1	181255724	ABNFBOGEILVOAF-CSKARUKUSA-N	303.402	3.444	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)CCc2ccccc2)c1	182894557	NAOABWBHZXUEAA-GOEBONIOSA-N	315.413	3.045	10	20	DGCD	
COc1c(C)cnc(CN(C)Cc2cc(C)ccc2O)c1C	183783416	CDFPGCDKRIKEMW-UHFFFAOYSA-N	300.402	3.353	10	20	DGCD	
C[C@@H](NCCN(C)Cc1ccccc1)c1cc(F)ccc1O	185111607	JFPWDJARXYHLCA-CQSZACIVSA-N	302.393	3.314	10	20	DGCD	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cccc(O)c2O)C1	185697280	NEWDXYJUZQZZTK-UONOGXRCSA-N	311.381	3.424	10	20	DGCD	
CCC(=O)N1CC[C@H](N[C@H](C)c2ccc3ccccc3c2O)C1	185788212	DEWQJRMIIKIHIG-HIFRSBDPSA-N	312.413	3.207	10	20	DGCD	
COc1ccc(N2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)cc1	197907514	NZVYOCDLDDHGLV-UHFFFAOYSA-N	316.445	3.026	10	20	DGCD	
O=C1/C(=C/c2ccc([N+](=O)[O-])s2)SC(=S)N1C1CC1	272779216	XWTYCCVPJZVGPT-YVMONPNESA-N	312.397	3.020	10	20	DGCD	
C[C@H](NC[C@@H]1CCCCO1)c1ccc(Br)cc1O	273429331	VFVOQBJKTAEHBN-JQWIXIFHSA-N	314.223	3.374	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)C1CCC(C(F)(F)F)CC1	278362684	HPGXEJISIZLHQU-UHFFFAOYSA-N	317.307	3.083	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ncoc1CC	282475397	LATDRZYZBTVSTP-UHFFFAOYSA-N	302.374	3.385	10	20	DGCD	
COc1cc(CCO)ccc1NCc1cc(C)c(C)cc1O	289595391	ITFPDKVTYPAHJZ-UHFFFAOYSA-N	301.386	3.165	10	20	DGCD	
Oc1cccc2c1[C@H](NCCc1cnn(-c3ccccc3)c1)CC2	296042738	QSWYSDBOAPYKJU-GOSISDBHSA-N	319.408	3.398	10	20	DGCD	
CC[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(F)cc1O	297267813	KLXZQGYEZWSZHA-DOTOQJQBSA-N	321.367	3.315	10	20	DGCD	
CSC[C@@H](C)NCc1cc(Br)cc(F)c1O	715747596	XEVODYDQVJQBBC-SSDOTTSWSA-N	308.216	3.135	10	20	DGCD	
CCOC(=O)CCCN(Cc1ccc(N(C)C)cc1)C1CC1	726691756	KUQNSQRJEVOXFI-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CC[C@H](CNC(=O)c1cc(O)cs1)Oc1ccccc1C	752815135	BCHAPAQZECXAOK-CYBMUJFWSA-N	305.399	3.350	10	20	DGCD	
CN(C)c1ccc(CN[C@H](C(=O)O)C2(C)CCCCC2)cc1	756384443	PJRMDKASJFTCBJ-MRXNPFEDSA-N	304.434	3.266	10	20	DGCD	
CCO[C@@H](CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(C)C	756631036	XDTPXIJZOBAVJI-WBMJQRKESA-N	310.394	3.402	10	20	DGCD	
CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)c1cc(O)cs1	764341783	KGKWXSYIYSNZGG-UHFFFAOYSA-N	313.382	3.116	10	20	DGCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)c2ccccc21	768462491	LYURVGAVWMBGRU-KZULUSFZSA-N	311.381	3.332	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(N(CC)CC)cc1)C1CC1	768753024	JMEFUKWCPZSRKG-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CCc1noc(C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773021853	ULQPJHBDOZSUBI-NSHDSACASA-N	301.390	3.102	10	20	DGCD	
CC[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc(N(C)C)cc1C	776149622	ISGICXBRGBHHDO-SUMWQHHRSA-N	303.450	3.391	10	20	DGCD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	779527189	CNHCIJSXXZVVTK-RCOIXESOSA-N	303.402	3.442	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CCC2(CCCC2)O1	784286755	NCOIGHFRWZYGPO-KXQLTZBTSA-N	318.369	3.146	10	20	DGCD	
CCOc1ccc(O)c(CNC[C@@H](O)c2cc(C)cc(C)c2)c1	800897355	XFHLDTHDIVHNDA-LJQANCHMSA-N	315.413	3.231	10	20	DGCD	
CC(C)(C)[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O	808735835	CDXKOIYNOOCWPW-KRWDZBQOSA-N	303.402	3.394	10	20	DGCD	
C[C@H](O)c1ncc(CN[C@H](C)c2ccc(N(C)C)cc2)s1	809642267	FVCRLENKERCOFV-NEPJUHHUSA-N	305.447	3.113	10	20	DGCD	
Oc1ccccc1CN1CCC[C@H]1Cn1cnc2ccccc21	809767273	IGEDZAPEOSWXKV-INIZCTEOSA-N	307.397	3.407	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)OC[C@@H]3CCCO3)cc12	817151995	JGMKDZAZMTVSND-AWEZNQCLSA-N	303.358	3.490	10	20	DGCD	
COc1cc(O)c(CNCCc2ccc(C)c(C)c2)cc1OC	827094955	WXNDOFYIMKTLCC-UHFFFAOYSA-N	315.413	3.359	10	20	DGCD	
CCc1cc(CN2CC[C@](F)(C(=O)O)C2)c(O)c(C(C)(C)C)c1	830218863	VLUDVAABZBQHEP-GOSISDBHSA-N	323.408	3.251	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)CCCCO2)cc1	837320034	CIFQUDMZOLWTBY-IBGZPJMESA-N	318.461	3.450	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1c[nH]nc1C	840893337	ITNQUYXYZCIIDQ-UONOGXRCSA-N	300.450	3.374	10	20	DGCD	
NC[C@H]1CC[C@H](CNCc2cc(Cl)cc(F)c2O)CC1	841084203	XMQNOCRFRPJGTQ-XYPYZODXSA-N	300.805	3.039	10	20	DGCD	
CC(C)N(Cc1ccccc1)C(=O)NCCc1ccc(N)cc1	841956811	JFGXZWAVTLAXIY-UHFFFAOYSA-N	311.429	3.432	10	20	DGCD	
CSc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n1	843758198	KSJZTGJVOBLNNR-UHFFFAOYSA-N	315.442	3.142	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC2(COC)CC2)cc1F	843794240	FWIMUQMJQYHFQM-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2C2CCC2)cc1	844857039	OPFNOEXTJIUEPD-ZWKOTPCHSA-N	316.445	3.026	10	20	DGCD	
CC(C)c1ccc2c(c1)CN(C(=O)c1cccc(O)c1O)CC2	855382529	OBZZVPZABQAGGF-UHFFFAOYSA-N	311.381	3.420	10	20	DGCD	
CC(C)c1cccc(C(=O)NCc2cc(Cl)ccc2O)n1	857547602	LPHSPLKNMLKBAQ-UHFFFAOYSA-N	304.777	3.494	10	20	DGCD	
C[C@@H](C[C@@H]1CCOC1)NCc1c(O)cccc1Br	858149942	ANBKRIAACNMWIS-QWRGUYRKSA-N	314.223	3.059	10	20	DGCD	
COc1ccc(CN[C@@H](C)[C@@H](OC)c2ccccc2)c(O)c1	877493832	PDDBSXZVMRTFKC-SCLBCKFNSA-N	301.386	3.267	10	20	DGCD	
COc1ccc(CN2CCc3ccc(F)cc3C2)c(O)c1OC	892035959	GIJICUZZSFCDJW-UHFFFAOYSA-N	317.360	3.107	10	20	DGCD	
COc1ccc(CN2CCSC[C@H]2C2CCC2)c(O)c1OC	894961526	OEDHXCPEGCJBMQ-AWEZNQCLSA-N	323.458	3.127	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1	894983703	GEZSYBAQEAWTAH-GOEBONIOSA-N	311.372	3.043	10	20	DGCD	
CN(C)c1ccc([C@@H](CNc2ncccc2F)N(C)C)cc1	897525086	JUEXUNHHSQGJEC-MRXNPFEDSA-N	302.397	3.002	10	20	DGCD	
CC(C)[C@@H](N[C@@H](C)c1ccc(Cl)cc1O)c1nncn1C	903064508	MZOLXSZXTZRGEO-IINYFYTJSA-N	308.813	3.222	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc2nc(O)[nH]c2c1	921738879	VRSSOBRPNVVUGO-LBPRGKRZSA-N	323.396	3.444	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cnn(CC3CCC3)c2)c1	922217717	WHGQHIZLDPSUOX-CYBMUJFWSA-N	315.417	3.248	10	20	DGCD	
COc1ccc(C(=O)Nc2c(Cl)ccc3nonc23)cc1	1117548408	RFWGKKUEELMVSX-UHFFFAOYSA-N	303.705	3.137	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)Cc1cccc(C(N)=O)c1	1237694328	BBULAXPXULINHJ-UHFFFAOYSA-N	323.440	3.018	10	20	DGCD	
O=C(NCCc1c(F)cccc1Cl)NCc1ccccc1O	1320025876	MVUDOKMNKMFERA-UHFFFAOYSA-N	322.767	3.227	10	20	DGCD	
CC(C)(CO)[C@H](NCc1ccc(N2CCCC2)cc1)C1CC1	1327572331	IKTMLDVQURTIPH-GOSISDBHSA-N	302.462	3.174	10	20	DGCD	
COc1ccc(CN[C@@H]2CCC[C@H](F)C2)cc1Cn1cccn1	1332314613	ZULPUVHKGGAPSY-DLBZAZTESA-N	317.408	3.310	10	20	DGCD	
C[C@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(N2CCCC2)cc1	1343027124	LEUFFVALZCSIRI-OAHLLOKOSA-N	317.477	3.022	10	20	DGCD	
C[C@H](NCCN1[C@@H](C)CCC[C@@H]1C)c1cc(C(=O)O)ccc1O	1593266443	DPLGSKOCQOGONO-IHRRRGAJSA-N	320.433	3.004	10	20	DGCD	
COc1cc(F)ccc1N[C@H](C)c1cc(C(=O)O)ccc1O	1610296010	HXOJNUXMNBAENV-SECBINFHSA-N	305.305	3.411	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cccc(C)c2F)c1O	179962239	WNPBYRSLJOAMDW-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1F	73052741	AMOVWJGAERYEAX-UHFFFAOYSA-N	314.404	3.261	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CNC2(c3ccccc3F)CC2)c1	76766572	SPVBPBFXQVKWOP-UHFFFAOYSA-N	302.305	3.218	10	20	DGCD	
CC[C@@H](O)CCNC(=O)c1sccc1-n1c(C)ccc1C	125137900	IQAZLVWWSRMHJD-CYBMUJFWSA-N	306.431	3.046	10	20	DGCD	
CCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1	182074950	UQWVEKBEJVVRIJ-UHFFFAOYSA-N	314.341	3.007	10	20	DGCD	
CC(C)C[C@@H](C)NC(=O)NCCCSc1nccs1	130867952	OBEOHBVIOXKGJW-LLVKDONJSA-N	301.481	3.359	10	20	DGCD	
CSC[C@H]1CCCN1Cc1cccc(Br)c1O	93761227	OEEMYTWNCAYDJD-LLVKDONJSA-N	316.264	3.482	10	20	DGCD	
Cc1c(CNC(=O)c2cnc3ccccn23)n(C)c2ccccc12	527474619	TVHYXBICIZRWAA-UHFFFAOYSA-N	318.380	3.064	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)c1nncn1C	268824461	AWCBTEOUTUQMLL-CABCVRRESA-N	313.449	3.217	10	20	DGCD	
CC1CCN(c2ccc(CNc3ccc(C(N)=O)cn3)cc2)CC1	264466201	LVCQBGAGIXDHTD-UHFFFAOYSA-N	324.428	3.029	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)c(O)c1O	272569287	HVOKOMFXAJFAGU-JTQLQIEISA-N	303.383	3.227	10	20	DGCD	
CO[C@@H](C)CCN[C@@H](C)c1cc(Br)ccc1O	273564628	JEAJMEPZSARLPV-UWVGGRQHSA-N	302.212	3.230	10	20	DGCD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	282529367	LQVUPFSGAYFWQC-IYOUNJFTSA-N	316.445	3.057	10	20	DGCD	
CCn1cc([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2O)cn1	294871933	PFKZTPLDORVAFV-VIFPVBQESA-N	324.768	3.021	10	20	DGCD	
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)Cc1ccccc1O	291761974	HXRCEOVENGLILY-SJKOYZFVSA-N	312.369	3.056	10	20	DGCD	
O=C1CCCN1c1cccc(CN[C@@H]2CCc3cccc(O)c32)c1	296200198	YYJUWCNQDDOLKG-QGZVFWFLSA-N	322.408	3.296	10	20	DGCD	
Cc1ccc(C(=O)CCC(=O)NCc2ccccc2O)s1	299573795	PUBOFXZETVJUKT-UHFFFAOYSA-N	303.383	3.041	10	20	DGCD	
CC[C@H]1CC[C@@H]1NCc1ccc(N2CCN(CC)CC2)c(F)c1	806137156	HIGKSKZEIXDONY-WMZOPIPTSA-N	319.468	3.246	10	20	DGCD	
CCOc1ccc(N(CC)CC(=O)Nc2nccs2)cc1	299396361	KZROVSVAJSPHQU-UHFFFAOYSA-N	305.403	3.007	10	20	DGCD	
Cc1nnsc1CN[C@@H](C)c1cc2c(cc1O)CCCC2	293833699	WPIZUXSUXZCUGS-JTQLQIEISA-N	303.431	3.282	10	20	DGCD	
CC[C@@H](NCC1(N)CCC1)c1cc(Br)ccc1O	817965515	WJIRDBULUMACHD-GFCCVEGCSA-N	313.239	3.077	10	20	DGCD	
C[C@@H](NCC[C@H]1CCNC1)c1cc(Cl)c(Cl)cc1O	817955025	OXGNEOSMQJDVDJ-NXEZZACHSA-N	303.233	3.349	10	20	DGCD	
Cc1nc(C)c([C@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)s1	817938658	OYUOHGYPLIACFH-ZBEGNZNMSA-N	318.490	3.177	10	20	DGCD	
CN(C)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1	810002025	QMNMAQCSPNTNBI-UHFFFAOYSA-N	306.312	3.048	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1O)C1CC1	815598322	ROZNLAMJVIJVNS-ZANVPECISA-N	303.324	3.487	10	20	DGCD	
CCN(C)c1ccc(CN2CCN(C3CCC3)C[C@@H](C)C2)cc1	815120663	LQHAQDVPNWTBOC-KRWDZBQOSA-N	315.505	3.449	10	20	DGCD	
COCCN(Cc1cc(OC)c(OC)cc1O)c1ccccc1	825035076	CMZLHKNRHOPFFY-UHFFFAOYSA-N	317.385	3.062	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C/c2cncc(F)c2)cn1	823430366	MDESDDBHZWOMLD-AATRIKPKSA-N	316.380	3.140	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cccc(C)n2)cc1F	731347487	ZBUQJLRWPXJJIX-UHFFFAOYSA-N	315.392	3.305	10	20	DGCD	
COc1ccc(N(Cc2ncnn2CC(C)C)CC2CC2)cc1	831587751	KETDFQLGACVPCE-UHFFFAOYSA-N	314.433	3.359	10	20	DGCD	
CC[C@H](O)[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	900029236	SZPCXBWEBTUIHF-YJBOKZPZSA-N	318.461	3.042	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2ccn(C)n2)cc1	838246887	GJJUBQMQKIHAKU-HNNXBMFYSA-N	322.412	3.319	10	20	DGCD	
Oc1ccccc1CN(CCC1(O)CCC1)Cc1ccco1	839517843	WBPKCLPVUUUQND-UHFFFAOYSA-N	301.386	3.293	10	20	DGCD	
CC(C)COC[C@@H](NC(=O)Nc1ccc(N)cc1)c1ccco1	841301568	UXCROESWTACBDN-OAHLLOKOSA-N	317.389	3.397	10	20	DGCD	
C[C@@H]1NCCC[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F	841062776	FHUBJJAYWYLIQA-NHYWBVRUSA-N	315.383	3.002	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Cl)cc1O	841747458	RATUTTALHGDXLG-MWLCHTKSSA-N	322.758	3.333	10	20	DGCD	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2cc(O)cs2)C1	846972136	MATNVXCITVQLSD-UNQGMJICSA-N	323.458	3.246	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H]1CN1CCCC1	840912366	NXAVJZPETRRCQZ-IBGZPJMESA-N	301.478	3.121	10	20	DGCD	
CCCN(Cc1ccccc1)C(=O)NCCc1ccc(N)cc1	841961747	HGAYMLQTDNNQGJ-UHFFFAOYSA-N	311.429	3.433	10	20	DGCD	
CCc1cnc(NCc2ccc(N3CCOCC3)c(F)c2)s1	758455492	ROSZSGZNMDYSCN-UHFFFAOYSA-N	321.421	3.293	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2c3ccccc3C[C@@H]2O)c2c(O)ccc(F)c21	756641362	VBKBWIPSKXSEFO-LFTYMFRLSA-N	313.372	3.328	10	20	DGCD	
CCC/C=C\C(=O)N1CCCN(c2ccc(OC)cc2)CC1	920741035	DRJJJLQQDCICAN-ALCCZGGFSA-N	302.418	3.090	10	20	DGCD	
CC[C@H](NC(=O)c1cc(O)cs1)c1cc(F)ccc1OC	928779241	HMLFPEXCKBGTQH-LBPRGKRZSA-N	309.362	3.483	10	20	DGCD	
CCCC[C@H](COC)N[C@@H](C)c1cc(C(=O)OC)ccc1O	756584966	HUOGCSTWLWFESY-GXTWGEPZSA-N	309.406	3.035	10	20	DGCD	
COc1ccc2c(c1)N(Cc1cccc(Cl)c1O)CCO2	765650884	HFUHLLZMLUJBLN-UHFFFAOYSA-N	305.761	3.453	10	20	DGCD	
CCc1cnc(CN2CCOc3cc(N(C)C)ccc32)s1	765659148	WXFMFFJFIYALMJ-UHFFFAOYSA-N	303.431	3.171	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1O	866160759	GDUDDAJZNSRYTM-CYBMUJFWSA-N	313.401	3.019	10	20	DGCD	
CCC(CC)(CN[C@@H](C)c1ccc(N(C)C)cc1)C(=O)OC	760881333	HKJQWDVDFSQSGK-AWEZNQCLSA-N	306.450	3.383	10	20	DGCD	
CC[C@@H](NCc1cc(Cl)cc(F)c1O)C1CCOCC1	776231907	KPAQICLTCKFCBY-CQSZACIVSA-N	301.789	3.480	10	20	DGCD	
CN(C)c1ccc(CNC[C@H]2COC3(CCCCCC3)O2)cc1	776958184	AKMQKNWECPXUEY-SFHVURJKSA-N	318.461	3.308	10	20	DGCD	
CCc1cccc2c1N(C(=O)/C=C/c1cnc(OC)nc1)CCC2	776313377	FATUMBKNTIMVTJ-MDZDMXLPSA-N	323.396	3.040	10	20	DGCD	
Oc1ccc(Cl)cc1CN[C@@H]1CCc2cccnc2CC1	877612289	GPFPPLLKYCWUCN-OAHLLOKOSA-N	302.805	3.478	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C	876745781	LSORQTMHMVMLQT-JKSUJKDBSA-N	302.462	3.126	10	20	DGCD	
CC[C@@H](NCCCNC(=O)C1CCC1)c1cc(Cl)ccc1O	775528595	ZXMKVWZNLWGDDI-OAHLLOKOSA-N	324.852	3.393	10	20	DGCD	
CCc1ccc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1	779490223	ZHXVGVICLJNEBJ-PKNBQFBNSA-N	311.381	3.332	10	20	DGCD	
Cc1cc(C(=O)N2CCC(F)CC2)c(C)n1-c1ccccn1	881609865	KSSNZKBMDDHOBP-UHFFFAOYSA-N	301.365	3.063	10	20	DGCD	
CCOCc1cc(CNC2CCC(O)(CC)CC2)ccc1OC	771875794	SQXANAGRUFPPLW-UHFFFAOYSA-N	321.461	3.405	10	20	DGCD	
C[C@H]1CCCC[C@H]1Cn1cc(COc2ccc(N)cc2)nn1	881324883	KZWVOUITNGMTTC-KBPBESRZSA-N	300.406	3.266	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2nn(C(C)C)cc2Cl)c1	889565436	IWFBEXLFOBACHW-UHFFFAOYSA-N	322.796	3.453	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)c3ncco3)CC2)cc1	886272590	VLFXAXGUNFZDSE-ZDUSSCGKSA-N	301.390	3.003	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)C1CCCCC1	783583067	KBZIVEMMHOULNN-GOSISDBHSA-N	318.461	3.042	10	20	DGCD	
COc1cc(C)cc(CN2CCCC[C@H]2c2cc[nH]n2)c1O	795671427	VKKNRYLPNJUKSK-HNNXBMFYSA-N	301.390	3.160	10	20	DGCD	
Cc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(O)c1O	790716046	GQNCFIROQLNCLN-OAHLLOKOSA-N	311.381	3.254	10	20	DGCD	
CC(C)SCCNCc1ccc(Br)cc1O	691469115	WSJTXBLYSAPRPK-UHFFFAOYSA-N	304.253	3.386	10	20	DGCD	
c1cnc2c(NCc3ccc(N4CCOCC4)cc3)nccc2c1	1333348624	AHZFPQDMCCMRHJ-UHFFFAOYSA-N	320.396	3.079	10	20	DGCD	
C[C@H](NC(=O)[C@@H]1CCCCC12CCNCC2)c1ccccc1O	1344461437	JFAKYAXYKGJFBR-HOCLYGCPSA-N	316.445	3.129	10	20	DGCD	
O=C(NCc1ccccc1O)c1oc(C2CC2)nc1C(F)F	1351666937	RVNZTAGJLRDRGP-UHFFFAOYSA-N	308.284	3.125	10	20	DGCD	
C[C@@H](N[C@@H]1COCc2ccccc21)c1cc(C(=O)O)ccc1O	1609774827	CAAXWAVOIHIBMT-BDJLRTHQSA-N	313.353	3.013	10	20	DGCD	
C[C@@H]1CCC[C@@](NCc2ccc3c(c2)CCCO3)(C(=O)O)C1	1776633941	HLCYBRUENSPGAP-ACJLOTCBSA-N	303.402	3.135	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CC2CCSCC2)c1	160716054	IYEPEMIDVIQSAM-NSHDSACASA-N	309.431	3.111	10	20	DGCD	
CC[C@H](CN[C@H](C)c1ccccc1O)NC(=O)OC(C)(C)C	227714365	UASVTRCFLORHNC-CHWSQXEVSA-N	308.422	3.346	10	20	DGCD	
CO[C@H]1CCCN(Cc2c(O)cccc2Br)CC1	707151506	DUCNGNLIIMODRT-NSHDSACASA-N	314.223	3.156	10	20	DGCD	
CC[C@H](N[C@H]1COC[C@H]1C)c1cc(Br)ccc1O	699863956	KNKSUZIHAIFGSD-ICCXJUOJSA-N	314.223	3.230	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2cccc(F)c2)cc1OC	179560847	QPLOEUCCRXGRAJ-UHFFFAOYSA-N	305.349	3.181	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC2CCC(C)CC2)c1	114591444	YZFUCWGEFAYOAN-UHFFFAOYSA-N	306.406	3.026	10	20	DGCD	
c1ccc([C@@H]2C[C@@H]2CNCc2ccc(N3CCOCC3)cc2)cc1	111398439	VBJIAPVZUQVFJZ-CTNGQTDRSA-N	322.452	3.417	10	20	DGCD	
C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(N2CCOCC2)cc1	68512951	AZVDVOBXPJUUPF-HZPDHXFCSA-N	314.429	3.057	10	20	DGCD	
Oc1cc2c(cc1CN[C@H]1CCCc3sccc31)OCO2	61360343	RBNJPBOPEWNCPT-LBPRGKRZSA-N	303.383	3.350	10	20	DGCD	
Cc1cccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1	78681638	QZBJDWRTMSRNGK-UHFFFAOYSA-N	310.441	3.464	10	20	DGCD	
CC(C)C(=O)NC[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1	124143272	QRJPEWHIRRRBFX-ZDUSSCGKSA-N	324.852	3.030	10	20	DGCD	
OCC[C@@H]1CCC[C@H]1NCc1ccc(N2CCCCC2)cc1	189989415	AZHJXBQJOWWIFO-PKOBYXMFSA-N	302.462	3.318	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NC2CCOCC2)c1O	187031157	QJUDMCUNIIQXIR-SNVBAGLBSA-N	314.223	3.293	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccccc2F)c1	131478985	USDYCVCMJBZPAE-LBPRGKRZSA-N	317.360	3.035	10	20	DGCD	
O=C(CSc1nccs1)Nc1nc2c(s1)CCCC2	47297886	DMQBHPYMEYDYBI-UHFFFAOYSA-N	311.457	3.209	10	20	DGCD	
CN(Cc1ccc([S@](C)=O)cc1)Cc1c(O)cccc1Cl	131734770	IHYKQVSPEOGALJ-OAQYLSRUSA-N	323.845	3.415	10	20	DGCD	
CNCCc1ccccc1C(=O)N(C)c1ccc(SC)cc1	423172595	UHMZXRGJNNJUFX-UHFFFAOYSA-N	314.454	3.447	10	20	DGCD	
CO[C@]1(C)CCCN(Cc2cc(Br)ccc2O)C1	230299894	FPJGXFZKYZGSCC-CQSZACIVSA-N	314.223	3.156	10	20	DGCD	
Cc1noc(CCCN(Cc2ccc(N(C)C)cc2)C2CC2)n1	269542647	VPLDNTBBPMSVAB-UHFFFAOYSA-N	314.433	3.041	10	20	DGCD	
C[C@@H](NCc1ccn(C)c1)c1cc(Br)ccc1O	273370069	CGFGKKUGHZIVLL-SNVBAGLBSA-N	309.207	3.344	10	20	DGCD	
C[C@@]1(O)CCCN(Cc2ccc(N3CCCCC3)cc2)CC1	279615421	GEHNZKRGNCHYDF-LJQANCHMSA-N	302.462	3.414	10	20	DGCD	
CC[C@](C)(CNCc1cc(Cl)cc(Cl)c1O)C(=O)O	277979218	MHBIXBGDKYFVLC-CYBMUJFWSA-N	306.189	3.290	10	20	DGCD	
Cc1noc([C@H]2CCCCN2Cc2ccc(N(C)C)cc2)n1	285879300	ZJZLYEPOPOVHJW-MRXNPFEDSA-N	300.406	3.171	10	20	DGCD	
CC[C@H](NCC1(COC)CCOCC1)c1ccc(N(C)C)cc1	293694344	NYRVIGYLUYHURR-SFHVURJKSA-N	320.477	3.237	10	20	DGCD	
CN(C)c1ccc(CNc2nnc(C3CCOCC3)s2)cc1	292713246	HLUDRBRDZAGJQS-UHFFFAOYSA-N	318.446	3.110	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCN(C)CC(F)(F)F)c1O	808694481	DGNFAYRIJUZWCN-SNVBAGLBSA-N	324.774	3.499	10	20	DGCD	
CCN(CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(OC)cc1	800357778	WUQOVEOYBNCOPR-UHFFFAOYSA-N	320.433	3.388	10	20	DGCD	
C[C@H](c1ccc(F)cc1O)N1CCC[C@H](CC(C)(C)C(N)=O)C1	296587633	UTSHJXTWWGWKMO-CHWSQXEVSA-N	322.424	3.206	10	20	DGCD	
CCOc1ccc(O)c(CNCc2cnc(OC)c(Cl)c2)c1	294687734	AHZKWTQYYSHCGC-UHFFFAOYSA-N	322.792	3.138	10	20	DGCD	
CC(C)(C)C(=O)N1CCC(N[C@@H]2CCc3cccc(O)c32)CC1	391724912	GCVGCMXWSRLAQY-OAHLLOKOSA-N	316.445	3.006	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCc1ccc2c(c1)CCO2	816545493	SGGPBQUEGDJXES-UHFFFAOYSA-N	307.752	3.409	10	20	DGCD	
CCOc1cccc(CNc2ccc(C)c(C(=O)OC)c2)c1O	817409834	DPGWNFDOQWSABK-UHFFFAOYSA-N	315.369	3.498	10	20	DGCD	
C[C@H]1CCN(C(=O)c2cccc3c2CCNC3)c2c(O)cccc21	662809596	RCLFPKPNRUSMAW-ZDUSSCGKSA-N	322.408	3.192	10	20	DGCD	
CCC(=O)COC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC	728640833	ZJVZZUHYEBRZDO-UHFFFAOYSA-N	317.385	3.040	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)N2CCCC[C@H]2CC)cc1	739923495	GUYTYPVFDZFXMW-OAHLLOKOSA-N	304.434	3.313	10	20	DGCD	
O=C(C1CC2(CC2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1	830900415	XKXCNVAWRGYMAH-MRXNPFEDSA-N	315.413	3.090	10	20	DGCD	
FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@H]1CCOC1	917103505	OTRSYYKLCWOROZ-LLVKDONJSA-N	301.308	3.374	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C	746718473	JBVXVWWINDTGSJ-PBHICJAKSA-N	315.461	3.447	10	20	DGCD	
CCO[C@@H](CC)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	840274092	AKYLKGMRLYFOCR-KRWDZBQOSA-N	306.450	3.305	10	20	DGCD	
CCc1cccc(CNC[C@H](c2cccc(F)c2)N(C)C)c1O	848891692	YAWPZZUVKQWYTN-GOSISDBHSA-N	316.420	3.486	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C=C(C1CC1)C1CC1	742952771	RFZFDWSSHJYVBA-UHFFFAOYSA-N	312.413	3.224	10	20	DGCD	
COc1ccc(CNC[C@@H](CC(=O)O)c2ccccc2)cc1C	841793217	AONHIUZFINUGCY-QGZVFWFLSA-N	313.397	3.352	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2CCC(C)(C)CC2)cc1	844163302	YHRKZBUIFGHMAJ-QGZVFWFLSA-N	317.477	3.085	10	20	DGCD	
CC(C)Cn1nccc1CN(C)Cc1ccc(N(C)C)cc1	843391180	OWAGHICJJGAYTF-UHFFFAOYSA-N	300.450	3.237	10	20	DGCD	
CCOc1nccc(C)c1C(=O)NCc1cc(Cl)ccc1O	846472844	GDBHYNMUAVWJKN-UHFFFAOYSA-N	320.776	3.078	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cccnc2O)cc1F	858304223	KRSBANXWBJYXHX-UHFFFAOYSA-N	303.381	3.062	10	20	DGCD	
C[C@H](NCCNc1cnccn1)c1ccc2ccccc2c1O	756647382	TZHYBGOYPUKKFN-ZDUSSCGKSA-N	308.385	3.098	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2nnc(C3CC3)o2)cc1	920206515	LQSZKIKSRHXSFR-UHFFFAOYSA-N	314.433	3.425	10	20	DGCD	
CN(c1ccc(CNC(=O)c2cnco2)cc1)C1CCCCC1	758784183	FFUVOOIZLNBOSM-UHFFFAOYSA-N	313.401	3.374	10	20	DGCD	
CC[C@H](O)CCCNCc1cc(OC)cc(C(C)(C)C)c1O	850157614	SMDQZGIHPPPXEH-AWEZNQCLSA-N	309.450	3.339	10	20	DGCD	
Cc1cc(CNC(=O)C[C@H]2CCCO2)c(C)n1-c1ccccc1	863163559	IVWPCCCFPKCHOG-GOSISDBHSA-N	312.413	3.279	10	20	DGCD	
Cc1csc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	773136923	CBWHQQBTLSGFFI-GFCCVEGCSA-N	318.446	3.078	10	20	DGCD	
CN(Cc1ccccc1O)[C@H]1CCCN(Cc2ccccc2)C1	770510156	ZPFZQIWZHNSDJD-IBGZPJMESA-N	310.441	3.489	10	20	DGCD	
COc1cccc2c1O[C@@H](c1ccc(N3CCCC3)cc1)NC2=O	1115862527	VTMGLFUFAPJPCJ-IBGZPJMESA-N	324.380	3.116	10	20	DGCD	
C[C@H]1C[C@H](N[C@H](CO)Cc2ccccc2)c2c(O)ccc(F)c21	783325861	QDPRQKHYKWTPDS-NOLJZWGESA-N	315.388	3.273	10	20	DGCD	
O=C(NCc1ccccc1O)c1c[nH]cc1-c1ccccc1F	787445424	LHMNNUPJGSNBRR-UHFFFAOYSA-N	310.328	3.456	10	20	DGCD	
CC1(C)CCC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1	784365323	JYCFAEZTOFHFPD-LBPRGKRZSA-N	306.358	3.040	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2CCO[C@H](C(C)(C)C)C2)c1O	894366323	LPTNLNJYJQMNLF-HOCLYGCPSA-N	307.434	3.393	10	20	DGCD	
COC(=O)CCCN(Cc1ccccc1)Cc1ccc(N)cc1	1206258051	OZRBIBYJZLILMB-UHFFFAOYSA-N	312.413	3.224	10	20	DGCD	
CCOc1ccc(CNc2ccc(C(C)(C)C)nn2)c(O)c1	1320774041	VHRJQAIINLOFNJ-UHFFFAOYSA-N	301.390	3.491	10	20	DGCD	
C[C@H](Oc1ccccc1)C(=O)Nc1c(Cl)ccc2nonc12	1321103345	LCTYDBRIKIPMIX-VIFPVBQESA-N	317.732	3.282	10	20	DGCD	
C[C@@H]1[C@H](CC(=O)O)CC[C@H]1NCc1ccc2c(c1)CCCN2C	1609840459	KNIBMKVNZBNJMW-UKPHBRMFSA-N	316.445	3.048	10	20	DGCD	
CON(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(N)cc1	1579105611	PNXSFCAUEKLGCY-UHFFFAOYSA-N	304.777	3.055	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1776483090	QJBZNWVDNNXRCV-MEBBXXQBSA-N	321.323	3.017	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCO[C@@H](C)C2)c1C	54134566	MXFZELCJRBKVJK-HNNXBMFYSA-N	312.413	3.263	10	20	DGCD	
O[C@@H]1CCCC[C@H]1CNCc1ccc(N2CCCCC2)cc1	77205596	BAAFTKSSRCXOAM-PKOBYXMFSA-N	302.462	3.318	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1cc(F)c(F)c(F)c1	119321052	MZTIONWZQMFERY-UHFFFAOYSA-N	310.275	3.473	10	20	DGCD	
COc1cc(O)c(CNC(C)(C)c2nc(C)cs2)cc1OC	182213866	NJLCXXWFBCNDCZ-UHFFFAOYSA-N	322.430	3.199	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(-n3ccnc3)cc2)c1	182417128	FZTWYPWNHCIAJL-CQSZACIVSA-N	323.396	3.437	10	20	DGCD	
CCC[C@@H]1C[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	183569734	WHVXZFUHZJQHTL-HUUCEWRRSA-N	322.424	3.103	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H](c3ccn[nH]3)C2)c1O	184682165	YMIWJZXHNBDEMR-LLVKDONJSA-N	321.808	3.157	10	20	DGCD	
COC[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccc(C)o1	184716917	XFOCUKXWKGITRB-OAHLLOKOSA-N	321.348	3.113	10	20	DGCD	
Cc1ccc(O)c(CNC[C@H]2CCN(Cc3ccccc3)C2)c1	192933496	PEBPHFNYIUOLCV-GOSISDBHSA-N	310.441	3.312	10	20	DGCD	
C[C@@H](O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	193369292	KRMBLZNCYQUMSF-HIFRSBDPSA-N	318.442	3.202	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1	242892370	GMUCFBCHLRGDSW-UHFFFAOYSA-N	310.397	3.048	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1	244416907	YRHPQVYSHHLOAE-UHFFFAOYSA-N	316.426	3.109	10	20	DGCD	
Cc1ccc(SCC(=O)NCCc2ccc(N)cc2)c(C)c1	269152497	UBRIHYLNZBWNNM-UHFFFAOYSA-N	314.454	3.337	10	20	DGCD	
C[S@@](=O)C1(CNCc2ccc(N3CCCCC3)cc2)CCC1	280535704	CLAHYPHERYEUNE-JOCHJYFZSA-N	320.502	3.068	10	20	DGCD	
Cc1ccnc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c1	286073536	LXUZFRINMGHQMC-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NC1CCC(C(=O)O)CC1	316409342	YXXSJHTVZWECIR-GFJIZPEISA-N	303.402	3.482	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H](C)c2ncccc2F)c1O	529688084	HUXZWUWNQJQSAH-VIFPVBQESA-N	310.756	3.439	10	20	DGCD	
CN(C)c1ccc(CNCc2nc3cc(F)ccc3n2C)cc1	736358019	PGKAEJZAGVBHRK-UHFFFAOYSA-N	312.392	3.068	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H]2CCCN2CC)cc1F	740001989	KUQMBTJKDGXBEV-INIZCTEOSA-N	307.457	3.246	10	20	DGCD	
CCOc1ccc(N(CC)C[C@H](O)COc2ccccc2)cc1	746159080	NIXNFVUMBABTDU-KRWDZBQOSA-N	315.413	3.352	10	20	DGCD	
CN(C)c1ccc(CNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1F	746684644	ADIPTSLASZQAQL-CORIIIEPSA-N	321.465	3.044	10	20	DGCD	
O=C(O)c1ccc(CNCc2c(O)ccc(Cl)c2F)cc1	756280743	DFUCTUHNBZPQFO-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
COCCCN[C@@H](C)c1cc(Br)cc(Cl)c1O	756341023	HTRVWXWCVSLZEH-QMMMGPOBSA-N	322.630	3.495	10	20	DGCD	
CC(=O)N1CC[C@@H](NCc2ccc(N(C)C)cc2)c2ccccc21	757000998	CXYSAXPYEMOGFM-LJQANCHMSA-N	323.440	3.340	10	20	DGCD	
C[C@@H]1CC(C)(C)C[C@H]1NCc1ccc(N2CCOCC2)cc1	766215435	ZYTGEGYGXGMUCE-CRAIPNDOSA-N	302.462	3.438	10	20	DGCD	
CCC1(O)CCC(NCc2cc(Cl)cc(F)c2O)CC1	776256935	TXZRKUOVMGKOGD-UHFFFAOYSA-N	301.789	3.358	10	20	DGCD	
Cc1ccc(SCC(=O)NCc2ccc(O)c(O)c2)c(C)c1	778923096	KOSJSMDITNUJFI-UHFFFAOYSA-N	317.410	3.123	10	20	DGCD	
CC(=O)Nc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)cc1	781895918	YWWIQCGKXXFBGE-CYBMUJFWSA-N	310.397	3.431	10	20	DGCD	
CC(C)=CCCNC(=O)NCc1ccc2c(c1)CCCN2C	790262560	UDYFGEUGBJCDNL-UHFFFAOYSA-N	301.434	3.225	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@](C)(O)C2)c(C(F)(F)F)c1	792830032	UKGCFEQELGJPFY-OAHLLOKOSA-N	316.367	3.118	10	20	DGCD	
COc1ccc(CNC(=O)NCC[C@H]2CCCC[C@H]2C)c(O)c1	792943885	ZRFZSYCRZKERLF-ZIAGYGMSSA-N	320.433	3.416	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(CC2CC2)C2CCC2)c1O	793393122	CQXZYDOATKZXIH-UHFFFAOYSA-N	306.362	3.074	10	20	DGCD	
C[C@@H](N[C@@H](CO)CC1CCC1)c1cc2c(cc1O)CCCC2	794832873	IDGOOOXNFXXDBU-CXAGYDPISA-N	303.446	3.473	10	20	DGCD	
CC[C@@H](NC[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1O	796704156	XKFXLMYXBSCMFZ-MAUKXSAKSA-N	317.404	3.423	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccnc(C(F)(F)F)c1	809613454	VQFDXSUSINYIPW-UHFFFAOYSA-N	310.275	3.078	10	20	DGCD	
OC[C@@]1(CNCc2cc(Cl)ccc2O)C[C@@H]1c1ccccc1	810164192	AWWZKGPSBCIZAI-AEFFLSMTSA-N	317.816	3.301	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCSC1	810247929	WPJSULJGRXEQOC-MRXNPFEDSA-N	318.486	3.436	10	20	DGCD	
CO[C@H](C)[C@@H](C)N[C@H](C)c1cc(Br)cc(F)c1O	810258100	ZGLHEKYYMDNXRT-IWSPIJDZSA-N	320.202	3.368	10	20	DGCD	
CN1CC[C@@H](N[C@@H](CCc2ccccc2)c2ccccc2O)C1	815576536	SHYCMXCRKFBHHF-MJGOQNOKSA-N	310.441	3.360	10	20	DGCD	
C[C@H](N[C@H]1CC[C@H](O)CC1)c1cccc(C(F)(F)F)c1O	815598153	NVIGGBIPJRHITN-DCAQKATOSA-N	303.324	3.365	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCc2cccnc21	816939021	QBHRITFSFVPZTH-INIZCTEOSA-N	322.408	3.012	10	20	DGCD	
CCCc1[nH]ccc1C(=O)NCc1ccc2c(c1)CCCN2C	817523456	CVACNEPOOJTNRE-UHFFFAOYSA-N	311.429	3.280	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCCNc3ccccc32)cc1	817944338	ZIAJYPZQWCDBEU-UYAOXDASSA-N	324.472	3.289	10	20	DGCD	
CC[C@H](N[C@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1O	817959688	GIJGAACJWZEXRK-QWHCGFSZSA-N	302.340	3.189	10	20	DGCD	
COC(=O)C(C)(C)N(C)Cc1cc(OC)cc(C(C)(C)C)c1O	824689112	KBQXUALOAJLQPC-UHFFFAOYSA-N	323.433	3.082	10	20	DGCD	
Cc1cc(O)c(CNCCCN(C)CC(F)(F)F)cc1Cl	825113777	KCIISSANOHYDCX-UHFFFAOYSA-N	324.774	3.328	10	20	DGCD	
Cc1ncc(CN2CCCc3cc(OC(F)F)ccc32)n1C	825509134	FPWHMZRGXRLMIT-UHFFFAOYSA-N	307.344	3.283	10	20	DGCD	
C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1O	827930324	GOSGLJBSPCLFMA-OAHLLOKOSA-N	324.424	3.479	10	20	DGCD	
CCCn1ncnc1CN(CC1CC1)c1ccc(OC)cc1	831588019	RGNFOLDGODRWFB-UHFFFAOYSA-N	300.406	3.113	10	20	DGCD	
CC(C)c1n[nH]c(CN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)n1	834871151	MBBOYADVMIVEOT-MWLCHTKSSA-N	304.369	3.111	10	20	DGCD	
CC[C@@H](NC(=O)c1sccc1-n1c(C)ccc1C)[C@@H](C)O	836860824	NMLKUPLNQSSAOT-CHWSQXEVSA-N	306.431	3.045	10	20	DGCD	
CC[C@@H](NC(=O)c1sccc1-n1c(C)ccc1C)[C@H](C)O	836860829	NMLKUPLNQSSAOT-QWHCGFSZSA-N	306.431	3.045	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC[C@@H]1CCCO1	839914813	BWFSJILERMIOLJ-QAPCUYQASA-N	318.461	3.067	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](C)c1ccco1	859420488	ZLHCUVNEKUJBNC-AWEZNQCLSA-N	300.402	3.464	10	20	DGCD	
CN(C)c1cc(F)c(CNCC[C@@H](O)c2ccccc2)cc1F	862367890	YPWXGSUPHBRBLF-GOSISDBHSA-N	320.383	3.244	10	20	DGCD	
Cc1cc(Cl)nc(CNC(=O)N[C@H](C)c2ccccc2O)c1	868580822	HOCROONGIYBFPL-LLVKDONJSA-N	319.792	3.309	10	20	DGCD	
Cc1ccc(CN(C)CCc2nc(-c3ccccc3)no2)c(O)c1	877518145	SQQAJALFPSOWRD-UHFFFAOYSA-N	323.396	3.425	10	20	DGCD	
CN(C)[C@H](CNCc1cc(F)cc(F)c1O)c1cccc(F)c1	882878130	RCTLSZTVSDNVDJ-MRXNPFEDSA-N	324.346	3.202	10	20	DGCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)Cc2ccccc21	892038440	FIRMFLIVQVFEIY-CQSZACIVSA-N	309.413	3.140	10	20	DGCD	
CCN(CC)CCC[C@@H](C)NCc1cc(C)cc(OC)c1O	894383333	GHRDJJGJBRSWOX-OAHLLOKOSA-N	308.466	3.309	10	20	DGCD	
COc1ccc(CNC[C@H]2C[C@H]3C=C[C@H]2CC3)c(O)c1OC	894967399	LXAGJBOBXZFJBO-KCQAQPDRSA-N	303.402	3.101	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCCn1cnc2ccccc21	917312586	RLIHFHQOWFFHIH-UHFFFAOYSA-N	323.396	3.181	10	20	DGCD	
OC[C@H](CNCc1ccc2c(c1)CCCO2)c1ccc(F)cc1	922186986	XOJPGKKXSNKEBR-KRWDZBQOSA-N	315.388	3.016	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@H]([C@@H]2CCNC2)C1	1118242847	LFADTAATQPBKKR-MOPGFXCFSA-N	313.489	3.108	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)/C=C/c2nccs2)cc1	1121020878	WMMYOLVYSGGNJO-MDZDMXLPSA-N	315.442	3.319	10	20	DGCD	
C[C@@H](N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1O	1169733744	WXVWPFNUKNLYAD-WBVHZDCISA-N	324.424	3.348	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cccc([N+](=O)[O-])c1	1256176678	WZDKZODXYFJWBC-UHFFFAOYSA-N	318.676	3.037	10	20	DGCD	
O=C1NCCc2ccc(NCc3ccc(N4CCCC4)cc3)cc21	1319619323	WCXQXIFRYKCWAZ-UHFFFAOYSA-N	321.424	3.185	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@H]1C[C@H](C)c2c(C)ccc(O)c21	1320253023	OFDQYAKVDGEKEG-GJZGRUSLSA-N	318.461	3.487	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@](C)(O)C(F)(F)F	1337800185	LHHBXINPABQDNS-RULNRJAQSA-N	303.324	3.152	10	20	DGCD	
CN(C[C@@H]1CCc2ccccc21)c1ccc(OCC(=O)O)cc1	1598466549	CKDIYTKMYCMXMT-HNNXBMFYSA-N	311.381	3.316	10	20	DGCD	
COc1cc(C)cc(CN(CC(C)C)CC(C)(C)C(=O)O)c1O	1607149348	JMLLBQFTFLPDIG-UHFFFAOYSA-N	323.433	3.278	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)c2cccs2)c(C)c1	1776857200	ZWAQMYQONSEJDY-MRXNPFEDSA-N	318.442	3.428	10	20	DGCD	
CC[C@@H](O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2	126449185	TYTLZXDKQPMCKT-CQSZACIVSA-N	319.426	3.297	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)[C@H](CO)C(C)(C)C)c1O	134437610	QNIMVNWJHKRQDY-CQSZACIVSA-N	313.825	3.087	10	20	DGCD	
CCOc1ccc(O)c(CN(C)Cc2nccn2C(F)F)c1	155021561	QMJYCDHIDXXDSH-UHFFFAOYSA-N	311.332	3.015	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(OC)c1O	156844498	HHFVODAWKZRAFX-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	158923856	LDMXTEZXACIGPK-MRXNPFEDSA-N	317.410	3.285	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC=CCC1	172483066	ZGSIHLNLJXXTII-INIZCTEOSA-N	301.434	3.393	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1F	174536601	SBZWRSJTBCZDBE-COXVUDFISA-N	306.425	3.185	10	20	DGCD	
Cc1ccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)s1	178018394	MBBHTVNFAUQLNH-WDZFZDKYSA-N	322.436	3.446	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)c(F)cc1F	180754787	YPYIJUKZOISYLA-DUXPYHPUSA-N	309.243	3.167	10	20	DGCD	
CC[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccccc1O	186097522	JIZSCQXDBJOFEL-SFHVURJKSA-N	322.412	3.273	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CCCCC[C@@H]1c1ccco1	187156106	FDPSPRNHHUOJSM-CYBMUJFWSA-N	301.342	3.448	10	20	DGCD	
C[C@@H](NC[C@H](CO)Cc1ccc(F)cc1)c1ccccc1O	272805510	BZUTUJHKETZXOI-UKRRQHHQSA-N	303.377	3.033	10	20	DGCD	
Cc1ccc([C@H](C)NC[C@]2(N(C)C)CCSC2)c(O)c1C	273467882	FCGUOKZOLNZVSO-WMLDXEAASA-N	308.491	3.097	10	20	DGCD	
CC[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(F)cc1O	286136386	OSJHWHUFNLNCAK-OAHLLOKOSA-N	322.424	3.221	10	20	DGCD	
C[C@@H](NCCC(C)(C)CO)c1ccc(Br)cc1O	296442579	MISDCPUQVJAYMD-SNVBAGLBSA-N	316.239	3.214	10	20	DGCD	
Cc1cnccc1CNC(=O)NCc1c(C)c2ccccc2n1C	349921968	OWSAAIHSGCOKMX-UHFFFAOYSA-N	322.412	3.190	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC([C@@H](O)c2ccccc2)CC1	731866911	KVTDHRAVAVXRSM-INIZCTEOSA-N	317.410	3.040	10	20	DGCD	
C[C@@H]1C[C@@H](C)N(C(=O)NCc2ccc3c(c2)CCCN3C)C1	741082524	KXTPFPRMEOEGJV-ZIAGYGMSSA-N	301.434	3.009	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccoc1	745775813	VJAUKTSRDBPBDO-UHFFFAOYSA-N	315.417	3.466	10	20	DGCD	
CC(C)=C(C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	751200908	YFVYDJBQEXUNJO-MRXNPFEDSA-N	303.402	3.256	10	20	DGCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC2CC2)cc1	751405359	MAKBQWKENXFHDZ-SFHVURJKSA-N	316.445	3.060	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2)c(O)c1C	756503398	NIAHEUICACEJGB-OLZOCXBDSA-N	316.367	3.296	10	20	DGCD	
Cn1cc(/C=C\C(=O)N2CCc3c2cccc3C(F)(F)F)cn1	759274846	XWORCDGGEMJIQY-WAYWQWQTSA-N	321.302	3.041	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNc2ccc(SC)cn2)c1O	775038709	ZXSFELAOSHQOKD-UHFFFAOYSA-N	321.358	3.038	10	20	DGCD	
C[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1	776339901	RDCSYQVMZYITJE-HOCLYGCPSA-N	318.486	3.292	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)c2ccccc2N(C)C1=O	785756208	LMSCCEMOKWKWFN-HNNXBMFYSA-N	323.440	3.372	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C2(COC)CCC2)cc1F	786119611	HKRGIVZBCQUCGC-UHFFFAOYSA-N	322.424	3.105	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(SC)CCC1	787248496	SLUJHZILZNGNKC-UHFFFAOYSA-N	306.475	3.387	10	20	DGCD	
C[C@H]1CCCN(CCNCc2c(O)ccc(Cl)c2F)C1	790950327	VWFFTJPEFTYLKL-NSHDSACASA-N	300.805	3.006	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@H](C)c2ccccc2)c(O)c1	792794736	LQBMZMXZOWXUEA-ZDUSSCGKSA-N	314.385	3.004	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C	793192048	OYHDWTGATJHLQX-UWWQBHOKSA-N	318.461	3.340	10	20	DGCD	
Cc1cnn(C)c1/C=C1\SC(=S)N(c2ccccc2)C1=O	794688158	XTLJDIQHZMMJLU-JYRVWZFOSA-N	315.423	3.134	10	20	DGCD	
CCC[C@@]1(NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCOC1	796482460	MVJZHHUYJWYUOG-CQSZACIVSA-N	314.769	3.003	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CC[C@H]3C3CC3)CC2)cc1	798003842	IPZDPGPRTCEJIA-RBUKOAKNSA-N	300.446	3.442	10	20	DGCD	
COc1ccc(N2CCCN(CCSC(C)C)CC2)cc1	801511585	DNDKOCNLBMCYLA-UHFFFAOYSA-N	308.491	3.349	10	20	DGCD	
Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(O)cs1)N(C)C	807491713	ADSRFQUZTUABJE-WBMJQRKESA-N	318.442	3.183	10	20	DGCD	
CN(C)c1ccc(OCC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1	810002001	PUKJQOFNVNJKOW-CRAIPNDOSA-N	316.445	3.313	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cnc3ccc(C)cn23)c1	813332093	ZYXCXJNYFWPSCN-ZDUSSCGKSA-N	311.385	3.208	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2ncn(-c3ccccc3)n2)c1	815657536	ASYJECVOZNDWBH-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
CC(=O)Nc1cccc(CNCc2cc(Cl)c(F)cc2O)c1	816535512	QTKYLLZYDAKMEZ-UHFFFAOYSA-N	322.767	3.433	10	20	DGCD	
CC1(C)CN(Cc2cc(F)ccc2O)C[C@](C)(C(F)(F)F)O1	816643127	WAFLDOGEQBLFTE-CQSZACIVSA-N	321.314	3.463	10	20	DGCD	
CC[C@@H](N[C@H](C)C1(OC)CCOCC1)c1ccc(C)cc1O	817587286	DKVOSHCBOAAZSB-GDBMZVCRSA-N	307.434	3.325	10	20	DGCD	
CCOc1nc(C(=O)Oc2ccc3c(c2)c(C)c(C)n3C)co1	817761020	JXBYQINZGWISGH-UHFFFAOYSA-N	314.341	3.401	10	20	DGCD	
COc1ccc2c(c1F)CC[C@@H]2NCCc1ccc(N)cc1	817956710	BAJCFNUKXRFDJB-INIZCTEOSA-N	300.377	3.236	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CSC(F)F	822652728	QSVIIBMPJHUEAN-UHFFFAOYSA-N	316.417	3.445	10	20	DGCD	
COc1ccc(CN[C@H]2CCO[C@H](c3ccncc3)C2)cc1C	824949408	YCBDHSBKNKXZPC-HKUYNNGSSA-N	312.413	3.409	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(Cl)n(C)n1	831413050	UJOJWTIBIGQTPL-UHFFFAOYSA-N	321.808	3.222	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@H]1CCCCO1	839918926	DRLGOHQBMHFOJN-CRAIPNDOSA-N	318.461	3.067	10	20	DGCD	
CCO[C@H](CC)C(=O)N(Cc1ccco1)Cc1ccccc1O	840397951	VWBFFYXWJIDOKI-QGZVFWFLSA-N	317.385	3.329	10	20	DGCD	
CN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCCN(c2ccccc2)C1	841299401	CEWOLECUMOHLPG-GOSISDBHSA-N	324.428	3.402	10	20	DGCD	
Cc1cccc2nc(CCN[C@H](C)c3ccc(F)cc3O)cn12	842932953	LXRLPALOHOHZFF-CYBMUJFWSA-N	313.376	3.381	10	20	DGCD	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](N)C1	843488431	ZPKIFIXDNUUTCP-JCGIZDLHSA-N	324.424	3.219	10	20	DGCD	
COC[C@H](Cc1ccccc1)N[C@@H](C)c1cccc(OC)c1O	846145065	JXJMEHGQDQNRDK-HOCLYGCPSA-N	315.413	3.309	10	20	DGCD	
COc1ccc(CC(C)(C)NC(=O)c2cc(O)cs2)cc1	846656463	YLHYBKFVDRFATM-UHFFFAOYSA-N	305.399	3.213	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1	850501492	NFXQZQFZKLKQEA-GIJXAMHUSA-N	322.518	3.483	10	20	DGCD	
C[C@@H]1CCCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1	850565099	ACJHVXVBYBKRGH-DNVCBOLYSA-N	302.462	3.316	10	20	DGCD	
CCN(Cc1cn(C(C)(C)C)nn1)c1ccc(OC)c(OC)c1	851829038	VMTCZUQBNFDUBA-UHFFFAOYSA-N	318.421	3.077	10	20	DGCD	
CN(C)c1cc(F)c(CNCCc2ccc(O)cc2)cc1F	858110097	JAAOISFWCNOCEH-UHFFFAOYSA-N	306.356	3.069	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC2(C)CC2)cc1	859844156	MVHMKHXNMGXLNL-UHFFFAOYSA-N	324.424	3.365	10	20	DGCD	
c1csc(SCCCNCc2ccc3nccnc3c2)n1	873054204	NNFFNFRTVNKNCA-UHFFFAOYSA-N	316.455	3.358	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)N[C@H](C)c1c(O)cccc1F	886592576	XNZMRRNJLJKNKL-GHMZBOCLSA-N	312.385	3.095	10	20	DGCD	
C[C@@H](N[C@H](CCO)Cc1ccccc1)c1c(O)cccc1F	886606527	ANWUQYJQPJHPEL-UKRRQHHQSA-N	303.377	3.176	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H](CCO)C(F)(F)F)cc1	886801215	JTQSAMPCJRLTSB-RISCZKNCSA-N	304.356	3.107	10	20	DGCD	
CCc1nc(CN(C)Cc2ccc(OC)c(OC)c2O)cs1	891813787	FJNAYLOSBBUEAV-UHFFFAOYSA-N	322.430	3.060	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@](C)(O)c2cccc(F)c2)c(O)c1	903310764	QQEPNFJKKGSGND-ACJLOTCBSA-N	303.377	3.398	10	20	DGCD	
CC[C@@H](N[C@@H]1CCCN(CC)C1=O)c1cccc(Cl)c1O	903388226	LYQLPJZYPUJOLT-ZIAGYGMSSA-N	310.825	3.097	10	20	DGCD	
CC(C)(C)c1csc(CNC(=O)NCc2ccc(N)cc2)n1	1262570350	TZZRPDLLWLIGIL-UHFFFAOYSA-N	318.446	3.022	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)NCc1ccc(N2CCCC2)cc1	1326143908	ALIDIFFWVJZJNS-FQEVSTJZSA-N	324.468	3.288	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H]1Cc2ccccc2[C@H]1N	1336077228	HZMQZVOXDMFSHC-SGJCYKPQSA-N	308.425	3.463	10	20	DGCD	
CC[C@H]1[C@H](C)CCN1c1nnc(-c2sccc2O)n1CC	1520737654	ANCZPWNABZGGSH-MNOVXSKESA-N	306.435	3.357	10	20	DGCD	
CCOC(=O)[C@H](c1ccccc1)N1CCCc2cc(CN)ccc21	1577925589	LOYFEFHOVHZTDU-IBGZPJMESA-N	324.424	3.202	10	20	DGCD	
COc1cc(NC(=O)Cc2ccc(N)cc2)cc(Cl)c1OC	1579160990	HJOBXSOGJLBOMG-UHFFFAOYSA-N	320.776	3.121	10	20	DGCD	
CCc1cccc(CNCc2ccc(C(=O)O)cc2F)c1O	1597586844	MCYXASFQQLXVPV-UHFFFAOYSA-N	303.333	3.082	10	20	DGCD	
C[C@H](NC(=O)Nc1ccc(C(=O)O)s1)c1ccccc1O	1599895234	WLNHFVWLIPPBBG-QMMMGPOBSA-N	306.343	3.035	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1	1601882277	ZUGILDPEKJHAKF-HZRUHFOJSA-N	316.357	3.319	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Cl)nc2)c1	103503203	WWDMGMDXNQFIAV-VIFPVBQESA-N	321.764	3.332	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(C)C2CCCCC2)cc1F	57646812	OYWDWPGMXFGZJD-UHFFFAOYSA-N	307.413	3.366	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCS2)cc1	176486199	NTYBMHAPXNTLGE-INIZCTEOSA-N	321.490	3.228	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1nccc(C(F)(F)F)n1	301248067	BHKZZPCYLXGVHS-UHFFFAOYSA-N	310.323	3.482	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCC1(C)C	78363224	AOOHWSVDNIYPOU-MRXNPFEDSA-N	303.450	3.473	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccc(F)cc1)N(C)C)c1ccccc1O	183432572	DDXLYPKNEYERAD-DYVFJYSZSA-N	302.393	3.485	10	20	DGCD	
CN(C)C(=O)Cc1ccc(NCc2cc(Cl)ccc2O)cc1	122068494	CHKJDOXGPJLCJH-UHFFFAOYSA-N	318.804	3.288	10	20	DGCD	
Cc1cccc(OC[C@H](O)CN[C@H](C)c2cc(C)ccc2O)c1	185129465	YXORFANWWOHOKT-HZPDHXFCSA-N	315.413	3.100	10	20	DGCD	
C[C@H](N[C@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1O	184982531	BYBJDIFMPNMKNL-KWQFWETISA-N	317.216	3.018	10	20	DGCD	
CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S	48402522	IRINDVNFYWTQAM-RMKNXTFCSA-N	301.339	3.119	10	20	DGCD	
CC/C=C(/C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	145631397	SZBKSBMBIHSHBO-NUKWSGDCSA-N	302.418	3.057	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1	90802149	PMPCZLFWXMCKFL-PKOBYXMFSA-N	324.472	3.467	10	20	DGCD	
CC[C@@H](C)[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1	268812364	FCMKMZHQBRVWNK-CVEARBPZSA-N	304.478	3.420	10	20	DGCD	
CC(C)[C@H]1C[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCO1	273546801	ZODGCKSHKKJVGY-MQIPJXDCSA-N	308.378	3.155	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2ccc(NC(N)=O)cc2)c(O)c1C	273425153	TZHSJEQHBZFMME-CYBMUJFWSA-N	313.401	3.350	10	20	DGCD	
C[C@H](N[C@H]1CCc2c[nH]nc2C1)c1ccc2ccccc2c1O	370399707	VMOXWRMDJRQKEL-WFASDCNBSA-N	307.397	3.477	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCC2(CC1)OCCCO2	293594710	IUGLLOSCSCWPMA-UHFFFAOYSA-N	313.397	3.274	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](n3cc(C)cn3)C2)c1O	290913337	NEMFXVNZGKKPKX-AWEZNQCLSA-N	321.808	3.006	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC(C4CC4)CC3)cc2)CC1	814172197	CHJQKEUIIFVNDZ-UHFFFAOYSA-N	313.489	3.060	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H]1Cc2ccccc2O1	816532872	YWNSYXZPILQSNH-LBPRGKRZSA-N	307.752	3.278	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(c3ccccc3)CC2)c1	729534666	AOIRBDJKFKFJSN-CYBMUJFWSA-N	311.381	3.310	10	20	DGCD	
CC[C@H](Nc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1	726374262	CRBAKHJHZJPXSB-SFHVURJKSA-N	311.429	3.260	10	20	DGCD	
Cc1cccc(CN2CCOC[C@@H]2c2ccc(F)cc2)c1O	825045690	JKAJRYJYJBQGCN-QGZVFWFLSA-N	301.361	3.413	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@]1(C)CO	827699460	HQHNBKZJAYBOKB-YMTOWFKASA-N	304.217	3.149	10	20	DGCD	
CCc1ccccc1NC(=S)NCc1cc(N(C)C)ccn1	905618034	KIZZKDMPTWZJIA-UHFFFAOYSA-N	314.458	3.197	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2ccccc2)CCC1	588405318	AVXXUBQXLZZSCF-NTMALXAHSA-N	309.365	3.307	10	20	DGCD	
C[C@H](NC(C)(C)CNC(=O)c1cc(O)cs1)c1ccccc1	732285833	JBSLWLZXWVSDTH-LBPRGKRZSA-N	318.442	3.313	10	20	DGCD	
Cn1cc(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)cn1	832904346	QJNLXCSXURHFFN-ZHACJKMWSA-N	318.380	3.062	10	20	DGCD	
CCOCc1cc(CNC2CCC(OC)CC2)ccc1OC	839173805	WSNHJPTYOMEYNS-UHFFFAOYSA-N	307.434	3.279	10	20	DGCD	
COc1ccc(N(C)CCN(C)CCCC2CCOCC2)cc1	844401488	MHESGEUECJJHGW-UHFFFAOYSA-N	320.477	3.270	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCC(F)(F)[C@H]2O)cc1	840886865	BGFIRGXMYUVEJJ-WQVCFCJDSA-N	312.404	3.342	10	20	DGCD	
CCCN(CC)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	746957672	BZGWMZKOLPUKBK-HNNXBMFYSA-N	319.449	3.026	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1	844856858	NYVFELYPTFAMOA-MPGHIAIKSA-N	316.445	3.026	10	20	DGCD	
Nc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1	841302369	VBORXBGHXHWQPT-UHFFFAOYSA-N	310.401	3.191	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](O)c2ccccc2Cl)c1O	846154004	IMIIJTLEYDOLRW-NHYWBVRUSA-N	321.804	3.438	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1	841295795	GPIWUBUNCGETAN-UHFFFAOYSA-N	310.401	3.150	10	20	DGCD	
CC[C@@H](COC(=O)c1sc2nc(C)cc(C)c2c1N)OC	842061262	ZWLSQYDRROPSLG-JTQLQIEISA-N	308.403	3.077	10	20	DGCD	
CN(C)c1ccc(CN(C)c2c(Cl)cncc2[N+](=O)[O-])cc1	853094106	YIVKEZOMNHLPIM-UHFFFAOYSA-N	320.780	3.346	10	20	DGCD	
CC[C@H](NC[C@H]1C[C@@H](O)C1)c1ccc(C(F)(F)F)cc1O	858543341	ICLWJCONBGQJSC-NDMJEZRESA-N	303.324	3.223	10	20	DGCD	
C[C@@H](NC[C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O	756605671	ULBZUUQNYVEZAD-OCCSQVGLSA-N	321.367	3.487	10	20	DGCD	
COC(C)(C)CN[C@@H](C)c1cc(Br)cc(F)c1O	756648140	YWMWCFKUHDICNS-QMMMGPOBSA-N	320.202	3.369	10	20	DGCD	
CC[C@@](C)(O)CN[C@H](C)c1cc(Br)c(F)cc1O	756555074	RRFQNFOIGMUYPM-AMIZOPFISA-N	320.202	3.105	10	20	DGCD	
COc1cccc(CNc2cn(C)nc2-c2ccccc2)c1O	753569025	NTTJXIPFEWCNRI-UHFFFAOYSA-N	309.369	3.413	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H]2C)cc1	752004356	GGCJCDVSXGISNH-CABCVRRESA-N	303.450	3.473	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCc2ccc(F)cc2)c1	756340541	IXCXGZAWAGHKFE-GFCCVEGCSA-N	317.360	3.211	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](C)CC2(C)OCCO2)c(O)c1C	866424791	HFPZRCWEPDAZMG-SWLSCSKDSA-N	307.434	3.449	10	20	DGCD	
COc1cccc(O)c1CN(C)Cc1cccc(N(C)C)c1	769536748	DUPNRJIPUQULSP-UHFFFAOYSA-N	300.402	3.099	10	20	DGCD	
O=C(OCc1ccc(C(F)(F)F)cn1)c1cc(O)cs1	768698744	RBDWOIOEWDNGOF-UHFFFAOYSA-N	303.261	3.225	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(Cc2ccccc2)CCC1	779532349	NLNNBASZVUSCKJ-CSKARUKUSA-N	323.392	3.393	10	20	DGCD	
C[C@@H](Nc1ccc(C(=O)N(C)C)cn1)c1ccc(N(C)C)cc1	772295489	GVJSNOAEGWWDJZ-CYBMUJFWSA-N	312.417	3.023	10	20	DGCD	
CCCNC(=O)C1(NCc2ccc(OC)c(C)c2)CCCCC1	779169725	RZFJRDLBOQZSFV-UHFFFAOYSA-N	318.461	3.322	10	20	DGCD	
CCC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1	773614551	ANISIEGCVJPZKU-RHSMWYFYSA-N	319.449	3.024	10	20	DGCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)Cc2ccccc21	779489569	QPXUCLZRJJFPTD-BUUCAEBMSA-N	309.365	3.257	10	20	DGCD	
COc1ccc(CN[C@H](C)CCOCc2ccccc2)c(O)c1	389971282	VCOHNJZFKBCUIH-OAHLLOKOSA-N	315.413	3.486	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CO)c2c(F)cccc2F)cc1	773829333	BFPDISWPJZSDTH-KRWDZBQOSA-N	320.383	3.244	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCS1	783384892	FWUQJXQYXLJIQT-INIZCTEOSA-N	306.475	3.387	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@@H](O)COc2ccccc2)c(O)c1	788507890	SUPYIOADKVMTRN-JKSUJKDBSA-N	315.413	3.100	10	20	DGCD	
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cccc(O)c1O	790882404	NJQLHGVTSACTJM-SECBINFHSA-N	319.307	3.136	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@H]1CCC(F)(F)C1	795093927	AZPYQUFSRFKOSV-VIFPVBQESA-N	306.403	3.177	10	20	DGCD	
CCCC[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC	1338340354	IWOJYUFKEPLWEB-KRWDZBQOSA-N	304.434	3.108	10	20	DGCD	
Cc1oc(C(C)(C)C)cc1C(=O)NCc1cccc(O)c1O	1349079625	OSTSUMYNOXHHCH-UHFFFAOYSA-N	303.358	3.227	10	20	DGCD	
Cc1cc(C)cc(C2(C(=O)NCc3cccc(O)c3O)CC2)c1	1347531286	TXQYYKJJWXCSPW-UHFFFAOYSA-N	311.381	3.063	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCOC(C)(C)C1	1358033795	XZGJLCBJUZVPKP-AWEZNQCLSA-N	305.418	3.336	10	20	DGCD	
O=C(O)c1cnc(S[C@H]2CCO[C@@H](c3cccnc3)C2)s1	1608978774	RABVHQNKJFXJSW-WDEREUQCSA-N	322.411	3.249	10	20	DGCD	
C[C@@H](Sc1ncc(C(=O)O)s1)c1nc(C(C)(C)C)no1	1609805419	PSJLAWJWGWSURF-ZCFIWIBFSA-N	313.404	3.375	10	20	DGCD	
Cc1cc(C)nc(COc2ccc(N(C)C)c(C(=O)O)c2)c1	1607632673	JLIPODULQVJDSS-UHFFFAOYSA-N	300.358	3.042	10	20	DGCD	
O=C(O)Cc1ccc(CNCc2ccc(N3CCCC3)cc2)cc1	1602122212	NYPJZPFNOSFWKT-UHFFFAOYSA-N	324.424	3.204	10	20	DGCD	
CN(CCc1cccc(F)c1F)c1ccc(OCC(=O)O)cc1	1610119879	PGLPUPWZYDNMJF-UHFFFAOYSA-N	321.323	3.107	10	20	DGCD	
N[C@@H](CN(Cc1ccccc1O)C1CCCC1)CC(F)(F)F	1580128237	UJOGJVVFVUBSJM-CYBMUJFWSA-N	316.367	3.417	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1ccc(C(=O)O)o1	1599628667	PQXAENQRSQWLSI-UHFFFAOYSA-N	301.342	3.329	10	20	DGCD	
CCN1CCCc2cc(CNCc3ccccc3C(=O)O)ccc21	1776875669	WRYRMUIKZUXHPD-UHFFFAOYSA-N	324.424	3.447	10	20	DGCD	
Cc1cc(NS(=O)(=O)C2=Cc3ccccc3CC2)ccc1O	158859838	DNIOTDSVMFGPGW-UHFFFAOYSA-N	315.394	3.430	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H]2CCCc3sccc32)c1O	155450108	KXYUSFCIYBDVAS-CYBMUJFWSA-N	317.410	3.199	10	20	DGCD	
CC(C)CN1C(=O)c2ccccc2N[C@H]1c1ccc(O)c(O)c1	24098817	HDZOCQOYFJAJFD-QGZVFWFLSA-N	312.369	3.320	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCc2cccs2)c1	103505253	INLMAGGWJLYEHO-NSHDSACASA-N	320.414	3.065	10	20	DGCD	
c1cncc(-c2cn3nc(Sc4nccs4)sc3n2)c1	302114406	VPTDQQDNECMFFZ-UHFFFAOYSA-N	317.424	3.461	10	20	DGCD	
CC[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1ccc(N(C)C)cc1	178095512	PXSWNLOMTSHLBA-CJNGLKHVSA-N	305.466	3.097	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)NC(C1CC1)C1CC1	175940833	CHWRIFPVONIPJJ-UHFFFAOYSA-N	314.429	3.259	10	20	DGCD	
Cc1ccc(C(=O)N(C)Cc2ccccc2Cl)c(O)c1O	177659071	CYOLYHLRSBNCOT-UHFFFAOYSA-N	305.761	3.332	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](CO)Cc2c[nH]c3ccccc23)cc1C	174400704	CAIJOVWGCGGVIN-QGZVFWFLSA-N	324.424	3.184	10	20	DGCD	
COC(=O)c1cc(CN(C)Cc2cccc(Cl)c2O)oc1C	179634089	XZQWHGCMUPSVDC-UHFFFAOYSA-N	323.776	3.366	10	20	DGCD	
CC[C@@H](C)OCC(=O)N(Cc1ccco1)Cc1ccccc1O	124087319	NPCWBEAPEXGLCC-CQSZACIVSA-N	317.385	3.329	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)c1	129711943	IBTPUWLGTKQFLB-LBPRGKRZSA-N	316.357	3.202	10	20	DGCD	
CC(C)CCCNC(=O)NCc1ccc(N2CC=CC2)cc1	125324103	LUWSXUJUWSXHHK-UHFFFAOYSA-N	301.434	3.298	10	20	DGCD	
Cc1cnc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)s1	122839885	AKVBTZXUSLLNIN-CQSZACIVSA-N	317.458	3.139	10	20	DGCD	
Cc1nc(C(C)(C)NCc2cc([N+](=O)[O-])ccc2O)sc1C	76904213	NZWCNRPICAQGIT-UHFFFAOYSA-N	321.402	3.399	10	20	DGCD	
CCCOc1ccc(OCC(=O)N(C)c2ccc(N)cc2)cc1	319784911	HKGFDEMFFJGYMG-UHFFFAOYSA-N	314.385	3.099	10	20	DGCD	
COc1ccc(N(C)CCn2c(C)csc2=O)cc1Cl	121852263	XPOLFRAUECWHJL-UHFFFAOYSA-N	312.822	3.017	10	20	DGCD	
CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccccc2O)n1	72517866	RBXMYLYVELLWSN-ZDUSSCGKSA-N	319.405	3.141	10	20	DGCD	
CCS[C@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	180843770	NKLLVTWWYUKHRX-QPJKDDTCSA-N	321.442	3.292	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)CN(C)Cc2ccccc2)c1	289249020	AVWAPWIPGUOBIO-OAHLLOKOSA-N	314.429	3.011	10	20	DGCD	
CO[C@@H]1C[C@@H](NCc2cc(Br)ccc2O)C1(C)C	227831991	SUQBGVBVDSLBRQ-CHWSQXEVSA-N	314.223	3.058	10	20	DGCD	
CC(=O)CC(C)(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	191681981	QLUXYGRHPFBZQS-UHFFFAOYSA-N	304.434	3.106	10	20	DGCD	
CC(C)C(=O)NC[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	92706220	UPOAUSUDXVISAG-CYBMUJFWSA-N	324.852	3.030	10	20	DGCD	
Cc1scnc1NC(=O)NCc1c(O)ccc2c1CCCC2	529146432	YSEQXJJGKWCYIX-UHFFFAOYSA-N	317.414	3.358	10	20	DGCD	
OCCCCNCc1ccc2c(c1)CCN2Cc1ccccc1	367596934	AXLBKKPGHVXZFL-UHFFFAOYSA-N	310.441	3.111	10	20	DGCD	
COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1	273610909	VTVFBHRIDKKGAY-FZMZJTMJSA-N	320.345	3.240	10	20	DGCD	
CC[C@@H](NC[C@@H](O)c1cccc(OC)c1)c1ccc(C)cc1O	280126261	ORETTXZTZBXNQP-IEBWSBKVSA-N	315.413	3.484	10	20	DGCD	
CC[C@@H](NCCCOC1CCOCC1)c1ccc(C)cc1O	280038633	ISOVNQLOIRJLJA-QGZVFWFLSA-N	307.434	3.327	10	20	DGCD	
CCn1cccc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)c1=O	808716397	NGIQXQAWEWBAQM-LBPRGKRZSA-N	320.820	3.386	10	20	DGCD	
COc1ccc(CN[C@H](C)c2c(C)cc(C)cc2O)c(OC)n1	294352873	PZBBWTZBPUMFFC-CYBMUJFWSA-N	316.401	3.272	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)cc(C)n1	801084008	VFWYNDXPDTWYTM-UHFFFAOYSA-N	311.429	3.427	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCSC(C)C	807573225	GUSLAWPDVRFZDY-UHFFFAOYSA-N	323.506	3.426	10	20	DGCD	
COc1ncccc1CCN[C@@H](C)c1ccc(C)c(C)c1O	290201861	PFHDQWWTKAXKJH-AWEZNQCLSA-N	300.402	3.306	10	20	DGCD	
CON(CC(C)(C)C)C(=O)NCCCSc1nccs1	806958106	DALUQTWOZHPAOO-UHFFFAOYSA-N	317.480	3.244	10	20	DGCD	
Oc1cccc2c1[C@H](N[C@@H]1CCO[C@@]3(CCSC3)C1)CC2	297028271	UQHWBLGCCOCYDT-CPUCHLNUSA-N	305.443	3.024	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC3CCC2CC3)c1	815835208	NBTWCMVEAVYRIT-OCLKLICZSA-N	303.402	3.404	10	20	DGCD	
CC[C@@H]1C[C@@H](NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CCO1	818221425	MEGJNXNJSZOEFG-XYJFISCASA-N	318.461	3.069	10	20	DGCD	
C[C@H](N[C@@H](C)[C@@H]1CCCNC1)c1cccc(C(F)(F)F)c1O	817948099	VETXXUYJDWRKRF-SDDRHHMPSA-N	316.367	3.450	10	20	DGCD	
CC(C)N1CC[C@H](CNCc2cc(Cl)c(F)cc2O)C1	816610373	IMOVWLNFWMDZOU-LLVKDONJSA-N	300.805	3.005	10	20	DGCD	
CN(C)c1ccc(CN(c2ccc(Cl)nn2)C2CC2)cc1	819911886	WSRCMTHPXHCERT-UHFFFAOYSA-N	302.809	3.365	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2cccnc2CC1	817578220	SPJXRAKIPJONCK-GOSISDBHSA-N	309.457	3.493	10	20	DGCD	
Oc1c(Cl)cccc1CN[C@H]1CCO[C@@H](c2ccncc2)C1	824955787	ZFQMYHTZHNFHJH-GOEBONIOSA-N	318.804	3.451	10	20	DGCD	
COC(=O)[C@H](c1cccc(Cl)c1)N(C)Cc1ccccc1O	735494508	ZCVLAMWPIBXJNB-INIZCTEOSA-N	319.788	3.392	10	20	DGCD	
CN(C)c1ccc(CN(c2ccc3nccnc3n2)C2CC2)cc1	733188483	RKFPTFDBWRBODZ-UHFFFAOYSA-N	319.412	3.260	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C/c1ccc[nH]1	839922895	ZZGUHMLYIJTTAG-TUPIDYKKSA-N	311.429	3.150	10	20	DGCD	
C[C@H](NC(=O)Cc1cnccc1Cl)c1ccc(N(C)C)cc1	839727935	FTOOYDXPHZCEFB-LBPRGKRZSA-N	317.820	3.221	10	20	DGCD	
CCc1cccc2c1N(C(=O)/C=C(/C)c1cnccn1)CCC2	839277323	DQHOJGYGQBTXSG-OWBHPGMISA-N	307.397	3.422	10	20	DGCD	
C[C@@H](Cc1ccccc1Cl)NC(=O)NCc1ccccc1O	748461638	MVFCVFHETZKROJ-LBPRGKRZSA-N	318.804	3.476	10	20	DGCD	
COC[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1O	747100815	VQPJNWQBAZMXIH-INIZCTEOSA-N	305.805	3.393	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@H](c2cccs2)C2CC2)cc1	841673479	RODXXILPHQGNJT-INIZCTEOSA-N	315.442	3.323	10	20	DGCD	
CCc1cccc(CN[C@@H](Cn2ccnc2)C(C)(C)C)c1O	848895099	QQXYBHPHSRJRLA-INIZCTEOSA-N	301.434	3.356	10	20	DGCD	
NCC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	841090875	PCJIPNJUFOTWQD-VIFPVBQESA-N	317.138	3.068	10	20	DGCD	
CCc1cccc(CN2CCC(c3nccc(C)n3)CC2)c1O	848902380	MXOGYELPDBVACO-UHFFFAOYSA-N	311.429	3.433	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC(CCN(C)C)CC1	840911676	MKBFSZHUGWYXMA-UHFFFAOYSA-N	303.494	3.225	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H]2N(C)CCCC2(C)C)c1O	846166853	DPFCMSMXYOJRAL-CJNGLKHVSA-N	306.450	3.172	10	20	DGCD	
Oc1cc2c(cc1CN1CCC3(CC1)OCCCO3)CCCC2	840088533	UBVLYSJLSOXAHY-UHFFFAOYSA-N	317.429	3.000	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1O	853241018	RRVLWYWWCOLOOO-UKRRQHHQSA-N	306.425	3.304	10	20	DGCD	
CCc1noc(CN(C)Cc2ccc(N(CC)CC)cc2)n1	857757726	RDZLYJHIOKJFGU-UHFFFAOYSA-N	302.422	3.110	10	20	DGCD	
Cc1ccc([C@@H](C)NCC(C)(C)[C@@]2(O)CCCOC2)c(O)c1C	850562643	OTAXNBULJGMMGH-DNVCBOLYSA-N	321.461	3.227	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(N(C)C)cc1	850501854	QGNIKMGAKRHTHE-DNNRVTFUSA-N	308.491	3.093	10	20	DGCD	
CC(C)C[C@@H]1CCCCN1Cc1cc2c(cc1O)OC[C@H]2O	768463623	KNAQKBBHTFTBLD-WMLDXEAASA-N	305.418	3.219	10	20	DGCD	
CC1(C)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	769310766	YQXRXFAFFOXGOK-UHFFFAOYSA-N	306.425	3.284	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CC[C@@H]3SCCS[C@@H]32)cc1	762612195	CXCPGSFRCPLDJL-OWCLPIDISA-N	308.516	3.222	10	20	DGCD	
Cc1ccc(CN(Cc2ccco2)C[C@@H]2CCCO2)c(O)c1	876635597	ZFTXPPGEPYGWKM-KRWDZBQOSA-N	301.386	3.475	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H]2CCC[C@@H](C)C2)c1O	774836647	UDDUOTWLWUGDRA-YPMHNXCESA-N	308.378	3.320	10	20	DGCD	
C[C@@H](NC[C@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1O	879648289	IQRJSHRORDPNBH-HIFRSBDPSA-N	312.369	3.068	10	20	DGCD	
Cc1ccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)c(O)c1	877483782	SAKNOFGUVCVQFZ-UHFFFAOYSA-N	311.385	3.144	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1	775363930	NTNRGURXZZPPGR-AWEZNQCLSA-N	308.429	3.490	10	20	DGCD	
COc1ccc(O)c(CN2CCc3c(F)cc(F)cc3C2)c1	775733822	IOTHADNDAVCKPG-UHFFFAOYSA-N	305.324	3.237	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCC(C)(C)CO)c1O	779039953	TWMSXTGUFPAKMX-JTQLQIEISA-N	316.239	3.132	10	20	DGCD	
C[C@@H](NC(=O)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1	773117348	PXXULCACQIVCHC-CYBMUJFWSA-N	315.392	3.452	10	20	DGCD	
Oc1c(F)cc(F)cc1CNCc1nc(C(F)(F)F)cs1	883017029	UXXPSRUVVJTBBR-UHFFFAOYSA-N	324.274	3.436	10	20	DGCD	
CC(C)[C@H](NCc1ccc2c(c1)CCO2)[C@H](O)c1ccccc1	788541970	ZZBXFQWLJRCFJU-VQTJNVASSA-N	311.425	3.469	10	20	DGCD	
COc1cc(C)cc(CN2CC3(CCOCC3)[C@@H]2C(C)C)c1O	894997950	CVNIFCNIRRTTSQ-SFHVURJKSA-N	319.445	3.346	10	20	DGCD	
CC(C)(NCc1cc(Cl)cc(F)c1O)C1CCOCC1	787332434	KQJDUVFUPXAMPD-UHFFFAOYSA-N	301.789	3.480	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(O)c1O	780888611	LTSZZEMSLZUVGS-WHOFXGATSA-N	303.402	3.447	10	20	DGCD	
COc1ccc(CNC(=O)NC[C@@H]2CCCC[C@H]2C)c(O)c1	792918527	UFKTYSXEGJMAJT-OLZOCXBDSA-N	306.406	3.026	10	20	DGCD	
COc1cc(O)c(CN2CC[C@H]3CCCC[C@H]3C2)cc1OC	1236752372	PRFLRGPQNNTEQM-KGLIPLIRSA-N	305.418	3.422	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCc3cc(F)ccc32)c1	1329730334	DWGHVNDJWBMHIA-INIZCTEOSA-N	314.360	3.326	10	20	DGCD	
C[C@@H](O)C[C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1	1324916591	WSUKORYZLVOFTG-VQIMIIECSA-N	302.462	3.412	10	20	DGCD	
CCC(CC)(CNCc1ccc(Br)cc1O)OC	691489064	PQHNTCIGKSCYFC-UHFFFAOYSA-N	316.239	3.450	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(Br)cc2O)C[C@@H](C)O1	694769617	GUKAYSYVDHGHSO-DDFAGTSDSA-N	314.223	3.200	10	20	DGCD	
CC[C@H](F)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F	1339064844	BDDZKTDIPSVFDC-ZDUSSCGKSA-N	320.330	3.392	10	20	DGCD	
COc1ccc(CN[C@H]2c3ccccc3O[C@H]2C)c(O)c1OC	1355321786	SOTKNTCHENWCIH-MEDUHNTESA-N	315.369	3.021	10	20	DGCD	
C[C@H](N[C@@H](c1ccncc1)C1CC1)c1cc(C(=O)O)ccc1O	1604325562	OSJGAPULICLYIQ-APPDUMDISA-N	312.369	3.287	10	20	DGCD	
Nc1ccc(CCNC(=O)c2cc3ccccc3cc2O)cc1	1580443564	QEIVEXJQDSRSFC-UHFFFAOYSA-N	306.365	3.100	10	20	DGCD	
N[C@H]1CC=C(C(=O)N(Cc2ccccc2F)c2ccccc2)C1	1580171112	GKDNQZFEPFDRHS-INIZCTEOSA-N	310.372	3.406	10	20	DGCD	
CN(C)c1ccc(CN2CC(C)(C)CC[C@H]2CC(=O)O)cc1	1777039363	KCVYZGCUMAETQN-INIZCTEOSA-N	304.434	3.218	10	20	DGCD	
CC[C@]1(C)CN(Cc2c(O)cccc2Br)CCO1	862337118	RBDOHABIFQCQOB-CQSZACIVSA-N	314.223	3.156	10	20	DGCD	
COc1ccc(OCCN(C)Cc2cccc(C)c2O)cc1	179596413	CFJOYFDKNJHWKB-UHFFFAOYSA-N	301.386	3.220	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1O	178408616	GWDIEBDVKRHNCX-ZDUSSCGKSA-N	300.402	3.318	10	20	DGCD	
COC[C@H](C)CN[C@@H](C)c1cc(Br)ccc1O	185148366	PQKDAEMJLVZWSY-ZJUUUORDSA-N	302.212	3.088	10	20	DGCD	
O=C(Cc1ccccc1F)NCc1c(O)ccc2c1CCCC2	75159921	ZDFPREIUFUMTHA-UHFFFAOYSA-N	313.372	3.269	10	20	DGCD	
Cc1nnc(CCN[C@@H](C)c2cc3c(cc2O)CCCC3)s1	289938410	VUZBIUQLUKBWNR-NSHDSACASA-N	317.458	3.324	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCc1ccoc1	283788542	SSRKBJMFBFZCSL-UHFFFAOYSA-N	302.374	3.497	10	20	DGCD	
CO[C@@H](COC(=O)c1cccc(O)c1O)c1ccc(Cl)cc1	801311373	KDTMIBHFOXQBMF-AWEZNQCLSA-N	322.744	3.296	10	20	DGCD	
Oc1ccc(F)cc1CN[C@H]1CCN(c2ccccc2F)C1	292771815	KLYGYVWNSOEMLZ-AWEZNQCLSA-N	304.340	3.039	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1	294604532	DJCIYTIMCGPSBA-UONOGXRCSA-N	304.434	3.059	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@H](CC)c1cccc(Cl)c1O	806156017	XXHHQSSSOVLZLB-CYBMUJFWSA-N	312.841	3.249	10	20	DGCD	
O=C1CCCN1c1ccc(CN[C@H]2CCc3cccc(O)c32)cc1	295933540	KKWSPTPARZSEHW-KRWDZBQOSA-N	322.408	3.296	10	20	DGCD	
CC[C@](C)(OC)C(=O)NCc1cc(Cl)cc(Cl)c1O	807836857	RNQLFASDSNEDEQ-ZDUSSCGKSA-N	306.189	3.130	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cnn(C)c2Cl)cc1F	815123778	IGCLQMAZDWJOLM-UHFFFAOYSA-N	324.831	3.349	10	20	DGCD	
COc1ccc(N2CCCN(CCC3(OC)CCC3)CC2)cc1	815022045	LRMGYZIMIOFZNA-UHFFFAOYSA-N	318.461	3.167	10	20	DGCD	
CN1CCC[C@@H](CSc2ncc(-c3ccccc3)n2C)C1=O	818382386	RYXUQVHNRYQBMD-AWEZNQCLSA-N	315.442	3.048	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2cc(C)ccc2F)c1	825736752	IQXGLHONCCCLDD-GFCCVEGCSA-N	317.360	3.268	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN[C@@H]1CCCC12CCC2	823697941	PDILZBNTHXUFMP-GOSISDBHSA-N	300.446	3.336	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c(O)cccc2Cl)c1	729535541	SXQMQYIWXTZAEK-VIFPVBQESA-N	321.760	3.251	10	20	DGCD	
C[C@H]1CCSCCN1Cc1ccc(Br)cc1O	825685756	LLYXTIONGYQVHP-JTQLQIEISA-N	316.264	3.482	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)C[C@@H](C)C1	734687959	ZQTZWYTYBKWOHG-OKILXGFUSA-N	303.450	3.249	10	20	DGCD	
O=C(CN(Cc1ccccc1O)C1CCCC1)NC1CCCC1	731848333	WOPKGOIWRSPDAN-UHFFFAOYSA-N	316.445	3.196	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CC2(C)CCCCC2)cc1	832266894	KWLDNLKAAXHONE-KRWDZBQOSA-N	317.477	3.229	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@]2(C)CCCC[C@@H]2C)c1O	835075313	XKZGFDFNOSOIBL-MEDUHNTESA-N	308.378	3.367	10	20	DGCD	
CC[C@H](NCC[C@@]1(O)CCCOC1)c1cc(Cl)ccc1O	846214832	WYNYDTRWWGVPDX-HOCLYGCPSA-N	313.825	3.018	10	20	DGCD	
Cc1cc(C(=O)Cn2nnnc2C(C)C)c(C)n1-c1ccccc1	743822855	XFWGYXBOSPPOMC-UHFFFAOYSA-N	323.400	3.087	10	20	DGCD	
CCc1cccc(CN[C@@H]2CC[C@@H]3SCCS[C@@H]32)c1O	848900973	SNXOXRBQJOIIHR-IJEWVQPXSA-N	309.500	3.424	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](C)NC(=O)OC(C)(C)C	840941004	MLDGXZPOEPNCRV-CQSZACIVSA-N	321.465	3.064	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCC(F)(F)C1	845062948	FHEDBOTWPIJBNW-NSHDSACASA-N	318.751	3.423	10	20	DGCD	
CCN(C)c1ccc(CN2CCN(C3CCCC3)CC2)cc1	741753283	RMYNNWLLGRRWTG-UHFFFAOYSA-N	301.478	3.203	10	20	DGCD	
Cc1cccc2nc(CCN[C@@H](C)c3ccc(F)cc3O)cn12	842932954	LXRLPALOHOHZFF-ZDUSSCGKSA-N	313.376	3.381	10	20	DGCD	
Nc1ccc(NC(=O)NCCC[C@H]2CC2(Cl)Cl)cc1	846310577	MKAYZISUHWUIHQ-VIFPVBQESA-N	302.205	3.364	10	20	DGCD	
C[C@H](CO)C1CCN(Cc2c(O)ccc(Cl)c2F)CC1	846059083	XSTCULYFQCPRIU-SNVBAGLBSA-N	301.789	3.025	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1nccs1	840488789	ORYACSSZKNHCMZ-GFCCVEGCSA-N	318.446	3.270	10	20	DGCD	
COc1cccc([C@@H](C)NCCc2nc(C)c(C)s2)c1O	846150232	OSHAUTXPIVJHHA-LLVKDONJSA-N	306.431	3.367	10	20	DGCD	
CCON(CC1CCCCC1)C(=O)NCCc1ccc(N)cc1	841956192	YBZCJYXNHHXKCM-UHFFFAOYSA-N	319.449	3.355	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCN3CCCC[C@H]23)c1	848568357	GORKFSLGNMHBTB-RRQGHBQHSA-N	304.434	3.068	10	20	DGCD	
C[C@H](N[C@H]1CCS[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1	842926898	AVYOJJGSRFBQHI-ZENOOKHLSA-N	324.465	3.207	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cc(C3CC3)nn2C)c2c(O)ccc(F)c21	927100733	JBLWBGWAHCOYNO-BMIGLBTASA-N	315.392	3.480	10	20	DGCD	
CC(C)[C@H]1CN(Cc2c(O)ccc3ccncc23)CCCO1	840093999	DXEGJTCBHXERDV-GOSISDBHSA-N	300.402	3.187	10	20	DGCD	
CO[C@H](CC(C)C)C(=O)NCc1ccc(N2CCCCC2)cc1	841385152	RSYZHSKJLGQCCE-GOSISDBHSA-N	318.461	3.354	10	20	DGCD	
CCC1(CC)CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841114767	WKIHJCWUMWDINF-UHFFFAOYSA-N	317.433	3.026	10	20	DGCD	
Cc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)n(C)n1	841829054	CZQHOJMGUNTIIH-UHFFFAOYSA-N	312.461	3.351	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(OC)c(F)c2)c1	756800636	ALHGRIOUHYXHIL-JTQLQIEISA-N	319.332	3.500	10	20	DGCD	
CC1CCN(c2ccc(CNc3ccnc(CO)c3)cc2)CC1	858403264	ZGHVLNYKJVBYCF-UHFFFAOYSA-N	311.429	3.422	10	20	DGCD	
CN1CCc2cc(/C=C3/N=C(c4ccccc4)OC3=O)ccc21	751523193	KXKVHYJGCAQLRM-FOWTUZBSSA-N	304.349	3.023	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(F)c(C)c1	857708732	WGRGAKHPJLITIL-UHFFFAOYSA-N	315.392	3.257	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2COc3cc(F)ccc3C2)c1	850536092	BREUQXCGFAPQEO-RISCZKNCSA-N	317.360	3.194	10	20	DGCD	
CCn1cc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)cn1	858173921	JKUBQMHOKWNGAW-NSHDSACASA-N	308.376	3.098	10	20	DGCD	
CCC[C@@H](CCO)N[C@H](C)c1ccc(Br)cc1O	866414346	DYTKNPWDZDOYRX-PWSUYJOCSA-N	316.239	3.356	10	20	DGCD	
COc1cc(CN2CCCN(C3CCCC3)CC2)c(O)cc1C	768446377	NLIRZKDCUHTTKB-UHFFFAOYSA-N	318.461	3.160	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)nnn2C	768532703	FBNRABRMJIYWBW-UHFFFAOYSA-N	323.444	3.056	10	20	DGCD	
O=C(NCCCSc1nccs1)N1CC[C@@H](C2CC2)C1	764442759	UENHGLOOPRDLGF-GFCCVEGCSA-N	311.476	3.067	10	20	DGCD	
Cc1ccnc(NCc2ccc(N3CCOCC3)cc2)c1Cl	763205133	YFFQCAZANQQSGR-UHFFFAOYSA-N	317.820	3.492	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C(C)C)n2)c1	762539101	VETPHAVVMKIIFK-LBPRGKRZSA-N	314.385	3.410	10	20	DGCD	
Cc1ccc(CNC[C@@H](c2cccc(F)c2)N(C)C)c(O)c1	876883814	BZSCHRRDYAGAMD-KRWDZBQOSA-N	302.393	3.232	10	20	DGCD	
Cc1csc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	775425908	JGGBHNXPLBQDQC-NSHDSACASA-N	304.419	3.400	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2c(c1)CCO2)c1ccc(N(C)C)cc1	773005703	COOAZXQVVFFGNE-CYBMUJFWSA-N	310.397	3.179	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCN(C2CCCC2)CC1	775647846	DENQOWDAFHHDIP-UHFFFAOYSA-N	312.816	3.245	10	20	DGCD	
CCc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)nc1	883383927	IXPZHGGPHWFRAF-UHFFFAOYSA-N	311.429	3.217	10	20	DGCD	
CCCOc1ccc(CN[C@H](CCO)C(F)(F)F)cc1C	886370044	VALQNCHDVDKIOH-CQSZACIVSA-N	305.340	3.187	10	20	DGCD	
CCOc1cccc(CN(C)CCCCN2CCCCC2)c1O	895684164	AKGFTLFKYGXOKR-UHFFFAOYSA-N	320.477	3.489	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2C[C@H](c3ccccc3F)C2)c1	797876699	OYCUHELEYSFCMZ-AULYBMBSSA-N	316.332	3.475	10	20	DGCD	
CC(C)COc1cccc(NC(=O)c2cccc(O)c2O)c1	790552192	WABRKODGGPJXMN-UHFFFAOYSA-N	301.342	3.385	10	20	DGCD	
CC[C@H](C)C(=O)N1CCC(NCc2ccc(OC)c(C)c2)CC1	989967975	PKARTHHZWHINPP-AWEZNQCLSA-N	318.461	3.130	10	20	DGCD	
COc1ccc(CNCCCNC(=O)C2CCCCC2)cc1C	1154254798	QSWLSLRDRVORET-UHFFFAOYSA-N	318.461	3.180	10	20	DGCD	
CCN1CCN(c2ccc(CNCCC(C)C)cc2F)CC1	1321090983	RDILSLTZCHAKJH-UHFFFAOYSA-N	307.457	3.103	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C[C@@H]1CCOC1	743873706	RXNRAOAJFURLAY-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCc2ccccc2C1	1336702800	FPQQLMBXJRFQKZ-LJQANCHMSA-N	323.440	3.010	10	20	DGCD	
COc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N)cc2)cc1	1336290881	VTTRFECJMWETFV-ZDUSSCGKSA-N	313.401	3.180	10	20	DGCD	
Cc1cccc(CC2(O)CCN(Cc3ccc(N)cc3)CC2)c1	1579759423	HPEUBTPOTFDKMU-UHFFFAOYSA-N	310.441	3.147	10	20	DGCD	
CCN1CCc2cc(CNc3ccc(CC(=O)O)cc3)ccc21	1776877983	FEYJVCCJOHMJRO-UHFFFAOYSA-N	310.397	3.308	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1	18215087	DFNNLPYUUAGIGL-UHFFFAOYSA-N	305.381	3.231	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C=C/SCc2ccco2)c1	152593950	KWXWPXXAOKYGNS-SOFGYWHQSA-N	319.382	3.057	10	20	DGCD	
C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	155675453	SXVONAICEMATHD-MRXNPFEDSA-N	313.445	3.394	10	20	DGCD	
CC1(C)CN(C(=O)NCCCSc2nccs2)C1(C)C	154638337	AXMHMRLHZVURAX-UHFFFAOYSA-N	313.492	3.455	10	20	DGCD	
CC[C@@H](CCO)NC(=O)c1sccc1-n1c(C)ccc1C	159066733	FPVBVSDEWGQGRP-ZDUSSCGKSA-N	306.431	3.046	10	20	DGCD	
C[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1cccc(F)c1	159143407	PVRARITVWCEPKC-LLVKDONJSA-N	303.333	3.047	10	20	DGCD	
C[C@H](NCC1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1	190342643	QYSDNRPZCWFSNK-HNNXBMFYSA-N	318.461	3.337	10	20	DGCD	
Oc1cccc(Br)c1CNCCCOCC1CC1	706875433	ZMHQYNFSKTYNCY-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
Cc1cnc(CNCc2c(O)cccc2Br)s1	706821728	NYDYJGWCENSQRC-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(F)c1	58757629	PQIFRDPFQIHXIK-UHFFFAOYSA-N	315.392	3.233	10	20	DGCD	
CN(Cc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1	71004396	GPOIXIKIQSJVHD-UHFFFAOYSA-N	314.404	3.294	10	20	DGCD	
OC1CCN(c2ccc(CNCc3ccccc3F)cc2)CC1	76275588	GBGZMMZTNMWRPW-UHFFFAOYSA-N	314.404	3.077	10	20	DGCD	
Cc1cc(O)c(CN(CCO)[C@H]2CCc3ccccc32)cc1C	93387707	DUXFGENRJFZPHA-IBGZPJMESA-N	311.425	3.491	10	20	DGCD	
Cc1cccc(NC2=NC(=O)/C(=C\c3c(C)n[nH]c3C)S2)c1	104350427	SVCVMRONXMVDLM-RIYZIHGNSA-N	312.398	3.417	10	20	DGCD	
COCCN(C/C(Cl)=C/Cl)c1ccc(OC)c(OC)c1	128752713	IPVHEGKMUZSMPC-LUAWRHEFSA-N	320.216	3.476	10	20	DGCD	
CN1CCC(CN(C)Cc2cc(Cl)cc(Cl)c2O)CC1	133998405	MACQXXBIFOCHCW-UHFFFAOYSA-N	317.260	3.473	10	20	DGCD	
CN1CCN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc21	134253395	FQUXGLAEGVJGGP-VQHVLOKHSA-N	313.788	3.231	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NC[C@@H](C)CCO)c1C	154246917	ABJLNGALJPKHPJ-ZDUSSCGKSA-N	314.429	3.151	10	20	DGCD	
Cc1ccc2oc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2n1	170919483	AEDKKLXFBXLZFR-UHFFFAOYSA-N	323.396	3.474	10	20	DGCD	
O=C1NC(=S)S/C1=C\c1ccc(F)cc1Br	178296276	ZOQFBEOMPOSQHX-BAQGIRSFSA-N	318.192	3.077	10	20	DGCD	
COC(=O)C[C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1	179887955	PXZVHAKJGAVGAI-GOSISDBHSA-N	316.445	3.204	10	20	DGCD	
Cc1cccc([C@@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)c1	181116795	WNGGNDWYJLGINM-KGXGESDWSA-N	311.381	3.339	10	20	DGCD	
C[C@@H](NCCCC(=O)N(C)C)c1cc(Cl)c(Cl)cc1O	192762491	ZKLAZDOKLVRTCO-SECBINFHSA-N	319.232	3.218	10	20	DGCD	
Nc1ccc(CC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1	237915212	BKWGLNAAOCQHEQ-HKUYNNGSSA-N	308.425	3.339	10	20	DGCD	
Nc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1	237967900	GBPPUMKTNGXWJX-UHFFFAOYSA-N	314.360	3.095	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	246470262	ANBMQKJFSKXNQS-PYTWLRIVSA-N	314.429	3.358	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCC[C@@H]2CCO[C@H](C)C2)c1	273497778	YDPKNCDVIDSWEI-HZSPNIEDSA-N	321.417	3.035	10	20	DGCD	
Oc1cccc(Cl)c1CNC1CCN(c2nccs2)CC1	282321661	TVHCUMNIVKHCPL-UHFFFAOYSA-N	323.849	3.261	10	20	DGCD	
CC[C@H](C)CONC(=O)NCc1ccc(N2CCCC2)cc1	291663936	PEQPQMIMJNFYRU-AWEZNQCLSA-N	305.422	3.064	10	20	DGCD	
Cc1cc(C(=O)NCCC(C)(F)F)c(C)n1-c1ccccn1	295601551	PDRIWCFFBJIJOY-UHFFFAOYSA-N	307.344	3.264	10	20	DGCD	
C[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccc2c(c1)CC(=O)N2C	297601043	IANPEBMXABCSGF-WBMJQRKESA-N	322.408	3.249	10	20	DGCD	
CC(C)OC(=O)c1cccnc1NCc1ccc(N(C)C)cc1	302227798	QLDMVKRPLZUJFQ-UHFFFAOYSA-N	313.401	3.325	10	20	DGCD	
CCOc1ccc(OCC)c(NC(=O)c2cccc(O)c2O)c1	322905512	DQLCGPXEMCHELC-UHFFFAOYSA-N	317.341	3.148	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1	372116073	LLZAVCSBZNFGBC-GOSISDBHSA-N	312.388	3.184	10	20	DGCD	
CC[C@](C)(CNCc1ccc(Br)cc1O)OC	691393076	QWZXHCAVTCJXEY-CYBMUJFWSA-N	302.212	3.059	10	20	DGCD	
CC[C@@]1(C)CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	743814046	QBHXDBCXFXNKML-SFHVURJKSA-N	303.450	3.474	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@H](C)COC)cc1	755080411	AGHDLBHYHQFHQJ-HNNXBMFYSA-N	306.450	3.164	10	20	DGCD	
C[C@]1(C(=O)O)CCCC[C@@H]1NCc1c(O)ccc(Cl)c1F	756388478	ORBQYWHVMQVXSF-WFASDCNBSA-N	315.772	3.308	10	20	DGCD	
Cc1cc(CN[C@H](C)c2cc(Br)ccc2O)ncn1	756775924	NDFBIKRSGOSDFA-SNVBAGLBSA-N	322.206	3.104	10	20	DGCD	
Cc1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)ncn1	757233258	ZEYVVFSUYYYPCA-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)[C@H](C)C1	764083587	CZHFACQQPKKUMS-KGLIPLIRSA-N	303.402	3.136	10	20	DGCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccc(N(C)C)cc1	765619750	MQDYOXMZIYJBRQ-LBPRGKRZSA-N	315.373	3.217	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1ccc2c(c1)nnn2C	766267958	DJGHAJOCCHYOTL-UHFFFAOYSA-N	322.412	3.320	10	20	DGCD	
CCOc1ccc(CN(C)Cc2ccc(OC)cc2)c(O)c1	768161697	WZPNALDHOMOPPU-UHFFFAOYSA-N	301.386	3.432	10	20	DGCD	
COc1cccc(O)c1CN(C)CCOc1ccc(F)cc1	768211654	ATLIBSRGMNHVGX-UHFFFAOYSA-N	305.349	3.051	10	20	DGCD	
Cc1ccc(C(=O)NC(C)(C)c2cccc(F)c2)c(O)c1O	770504065	SUQBFBNQWCLMMQ-UHFFFAOYSA-N	303.333	3.210	10	20	DGCD	
Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773014285	LGCMGAMWDBDHED-RYUDHWBXSA-N	315.417	3.338	10	20	DGCD	
COc1ncccc1CN(Cc1ccc(N(C)C)cc1)C1CC1	785658131	JEJDSSPHQSESTM-UHFFFAOYSA-N	311.429	3.321	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CNCCC(=O)O)cc1	789898044	BMNGCPGYUVFURZ-UHFFFAOYSA-N	312.413	3.277	10	20	DGCD	
C[C@H]1CCCN(C[C@@H](C)NCc2c(O)ccc(Cl)c2F)C1	790956132	OHDKYFPGSCJGMT-NWDGAFQWSA-N	314.832	3.395	10	20	DGCD	
CCN(CCOC)Cc1ccc(N(C)C)cc1C(F)(F)F	792778608	VGKSSMPSTCGQMV-UHFFFAOYSA-N	304.356	3.240	10	20	DGCD	
COc1ccc(CNCc2ccc(OC)cc2Cl)c(O)c1	793388180	OEBMPZCFJXMGAY-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
COc1ccc(CNC(=O)c2cc3cccc(C)c3o2)c(O)c1	794382770	HTVIWROGNJUAEI-UHFFFAOYSA-N	311.337	3.385	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H]2CCOC[C@@H]2C)cc1F	796497493	LOIWQBXJYDUQRM-HOCLYGCPSA-N	308.441	3.434	10	20	DGCD	
Cc1ccccc1CN(C)C(=O)COc1ccc(N(C)C)cc1	798219837	OJBSYVLWACYWCC-UHFFFAOYSA-N	312.413	3.098	10	20	DGCD	
Cc1cccc2c1OC[C@@H](NCc1ccc(N(C)C)c(F)c1)C2	810178911	ZCICPJNPKTWBDP-INIZCTEOSA-N	314.404	3.293	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@H](OC)C2)cc1	814405887	HSUIVWZDYXIISU-AEFFLSMTSA-N	318.461	3.354	10	20	DGCD	
CCN(C)c1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1	815118519	ILMWBGCWJJGAEB-OAQYLSRUSA-N	324.468	3.279	10	20	DGCD	
Cc1cc(CN2C[C@@H](C)C[C@@H](CO)C2)ccc1N1CCCCC1	817281899	SFJVYKRUDQOGNW-QFBILLFUSA-N	316.489	3.436	10	20	DGCD	
COc1cc(O)c(CNC[C@H]2C[C@H]3C=C[C@H]2CC3)cc1OC	817410437	MHAIRNJHJQDVCG-MELADBBJSA-N	303.402	3.101	10	20	DGCD	
C[C@H]1CCCN(c2ccc(CN[C@@H](C)C3CNC3)cc2Cl)C1	817932730	XKSUHXQOGNIFPY-KBPBESRZSA-N	321.896	3.274	10	20	DGCD	
CC[C@H](NC[C@@H]1CCCN1)c1cc(Cl)cc(Cl)c1O	817954223	WGPJMZHPZUWCJD-GWCFXTLKSA-N	303.233	3.492	10	20	DGCD	
CCCC[C@H](COC)NC[C@H]1CCN(c2ccc(OC)cc2)C1	818342159	MTAYWQIAAUKFRG-IAGOWNOFSA-N	320.477	3.316	10	20	DGCD	
COc1ccc(N2CCC(NCc3ccnc(C)c3)CC2)cc1	824596028	FCXRBLWGKXUABY-UHFFFAOYSA-N	311.429	3.157	10	20	DGCD	
Cc1cc(CN2CCC[C@H]2CCO)ccc1N1CCCCC1	828988002	PHDNGYPNCQYZEE-SFHVURJKSA-N	302.462	3.332	10	20	DGCD	
CCN(CC)c1ccc(CNC2(CC(=O)O)CCC2)cc1F	833654566	VLFUDPWCMMQKDE-UHFFFAOYSA-N	308.397	3.159	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc([N+](=O)[O-])cc1C	833681299	XENFGABUNVMOTK-UHFFFAOYSA-N	305.286	3.336	10	20	DGCD	
O=C1OCCN1c1cccc(CN[C@H]2CCc3cccc(O)c32)c1	834526108	DSDPJEUXTVSJNB-INIZCTEOSA-N	324.380	3.126	10	20	DGCD	
COCc1nsc(N[C@H](C)Cc2ccc(N(C)C)cc2C)n1	840384186	GACZFLDUXBVETA-GFCCVEGCSA-N	320.462	3.102	10	20	DGCD	
CC[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)CC(F)(F)F	840514875	LXMAOXWXEYMOTI-OAQKJQOQSA-N	317.307	3.206	10	20	DGCD	
C[C@H]1CCC[C@H](N2CCC(NCCc3ccc(N)cc3)CC2)C1	841034702	JSPJGNAWCJJUHM-JXFKEZNVSA-N	315.505	3.444	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@H]3[C@H](N)CCC[C@H]3C2)cc1	843057389	CXGVBKWHQQDRJB-QXAKKESOSA-N	301.478	3.092	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1O	846144979	IXXUFSUTMNONSQ-OUENDJJVSA-N	305.418	3.255	10	20	DGCD	
CCc1cccc(CN[C@]2(C)CCCC[C@H]2C(=O)OC)c1O	848891373	QDJQIBSPAQXUCW-MAUKXSAKSA-N	305.418	3.166	10	20	DGCD	
CCOCc1cc(CN[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)ccc1OC	850391888	CQLRLKDHISENJW-CJBAZIHXSA-N	301.430	3.366	10	20	DGCD	
COc1cc(CN2CC[C@@H](Oc3ccccc3)C2)c(O)cc1C	853592962	BKTWDNBGXPURSU-QGZVFWFLSA-N	313.397	3.363	10	20	DGCD	
CSC[C@H]1CCCN1Cc1c(O)cccc1Br	862251066	ZSQWAUMPYJDLAQ-SNVBAGLBSA-N	316.264	3.482	10	20	DGCD	
COCCOc1ccc(CN[C@H](C)c2c(O)cccc2F)cc1	886502568	DJKIJHDVWQWMAW-CYBMUJFWSA-N	319.376	3.407	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCO[C@@H](c2cccc(F)c2)C1	893995753	OYXIUBZUCVETTP-MRXNPFEDSA-N	323.314	3.383	10	20	DGCD	
COc1cc(C)cc(CNC[C@H](O)c2ccccc2Cl)c1O	894289152	IODBHTXLRAHZEI-HNNXBMFYSA-N	321.804	3.186	10	20	DGCD	
CCOCc1cc(CN[C@](C)(CC(=O)O)C(C)C)ccc1OC	901816139	FHHMISWHKMUYNL-GOSISDBHSA-N	323.433	3.211	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1c2ccccc2C[C@@H]1O	1116584287	CZLVPKIUZYCLGH-DFTPQRALSA-N	309.409	3.497	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H](C)n2ccnc2)c(C)n1-c1ccccc1	1118953069	MGFARNDUTCYCQG-MRXNPFEDSA-N	322.412	3.168	10	20	DGCD	
Cc1noc(C2CC2)c1C(=O)Nc1c(Cl)ccc2nonc12	1325345677	NWSFGXJBBMJCCZ-UHFFFAOYSA-N	318.720	3.302	10	20	DGCD	
Oc1cccc(Br)c1CNc1ccnn1CC1CC1	1328689580	POHPRBFMSUECKG-UHFFFAOYSA-N	322.206	3.373	10	20	DGCD	
C[C@@](O)(CNCc1ccc(N2CCCC2)cc1)c1ccsc1	1339414839	QSPXEAZOCUJPEB-GOSISDBHSA-N	316.470	3.346	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCOC1CCOCC1	1342407959	KVBGZHYUFAHFFO-GDBMZVCRSA-N	319.445	3.424	10	20	DGCD	
CC[C@H]1CCN(c2nnc(-c3sccc3O)n2CC2CC2)C1	1345816088	GQQLXJJEQQNSEL-NSHDSACASA-N	318.446	3.359	10	20	DGCD	
CNC[C@H](C)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	1578638926	XXEDGDOHXWZCJJ-AWEZNQCLSA-N	313.445	3.049	10	20	DGCD	
CC(C)[C@@H]1OCCC[C@@H]1CN[C@@H](C)c1cc(C(=O)O)ccc1O	1604336879	BZVALEPQRXNSKY-QEORTHHSSA-N	321.417	3.192	10	20	DGCD	
COc1ccc(CNC[C@H](C)NC(=O)C[C@H](C)C2CC2)cc1C	1754296760	YOUWEHOGOOOVEO-ZFWWWQNUSA-N	318.461	3.034	10	20	DGCD	
COc1ccc(S[C@@H](C)C(=O)Nc2ccc(N)cc2)cc1	20566765	FPYHAWMXSGJJDM-NSHDSACASA-N	302.399	3.397	10	20	DGCD	
Cc1nc(CN(C)Cc2ccc(N3CCCCC3)cc2)no1	45915644	XUVJXEJALYNNGV-UHFFFAOYSA-N	300.406	3.000	10	20	DGCD	
COc1cccc(CNc2ccc(NC(=O)C3CC3)cc2)c1O	120495267	XHMHKFLQRLAWHP-UHFFFAOYSA-N	312.369	3.361	10	20	DGCD	
C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)N(C)Cc1ccccc1O	121143065	CNAHBKXCZZYZET-SOUVJXGZSA-N	304.434	3.002	10	20	DGCD	
CC[C@@H](NCC1(O)CCC1)c1cc(Br)ccc1O	127354239	UCUSKPYCAPVJPW-GFCCVEGCSA-N	314.223	3.110	10	20	DGCD	
C[C@H](NCc1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1	151146313	UBXABLTYVFVRAY-AWEZNQCLSA-N	316.424	3.400	10	20	DGCD	
COc1cccc(CNC(=O)CCc2cc(C)cc(C)c2)c1O	159750120	KUGINOCEPIGMEL-UHFFFAOYSA-N	313.397	3.267	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](CCO)C2CCCCC2)c1	185828978	FPMUVUNVJDYFCD-GUYCJALGSA-N	307.434	3.383	10	20	DGCD	
CCOC(=O)N1CC[C@@H](N[C@@H](CC)c2ccc(N(C)C)cc2)C1	186452620	HMGFAFKMNBAYSE-WBVHZDCISA-N	319.449	3.024	10	20	DGCD	
C[C@@H](NC[C@H]1CSCCS1)c1ccc(F)c(F)c1O	187752794	XCRRPUDTBBABCZ-BDAKNGLRSA-N	305.415	3.170	10	20	DGCD	
C[C@@H](NC[C@H](O)c1ccccc1F)c1ccc(F)c(F)c1O	191212800	FNOLIBIMLKDDMQ-OTYXRUKQSA-N	311.303	3.194	10	20	DGCD	
Cc1ccc2c(c1)O[C@H](C)CN2C(=O)/C=C\c1cncc(F)c1	255382349	YCMDNZMEDUQGCJ-RYWCDNDXSA-N	312.344	3.356	10	20	DGCD	
COc1ccccc1C[C@@H](C)NCc1cccc(OC)c1O	263655681	FTEPTDCBPNOJGD-CYBMUJFWSA-N	301.386	3.130	10	20	DGCD	
COC[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1	266069603	WPJSEFQYGWTYEY-MRXNPFEDSA-N	312.413	3.203	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(C2CC2)on1	268642929	PLRHEDDSQZGLKE-UHFFFAOYSA-N	300.358	3.310	10	20	DGCD	
CCN(CC)CCC[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273421127	SCXYNUAQPPJMIV-KGLIPLIRSA-N	323.437	3.462	10	20	DGCD	
C[C@H](NC[C@@]1(N(C)C)CCSC1)c1cc(Cl)ccc1O	273563827	IVNMBXULYSTONU-NHYWBVRUSA-N	314.882	3.134	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NCCC[C@@H](C)O)c1O	279222867	ZCPPEZBLFFJMQR-MNOVXSKESA-N	316.239	3.275	10	20	DGCD	
CC[C@@H](NCCCOC[C@H]1CCCO1)c1ccc(C)cc1O	280028722	HYFPYDXDIDBHFQ-NVXWUHKLSA-N	307.434	3.327	10	20	DGCD	
C[S@](=O)C1(CNCc2cc(Cl)cc(Cl)c2O)CCC1	280618977	KVKTVTMHIPYJSM-IBGZPJMESA-N	322.257	3.090	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCCC23CCOCC3)cc1F	282545566	CLOJKWLJZJAGIU-QGZVFWFLSA-N	306.425	3.331	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCc2ncnn2-c2ccccc2)c(O)c1	285159590	MMPVVEXHFGHOKS-HNNXBMFYSA-N	322.412	3.441	10	20	DGCD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1ccc(N)cc1	297118247	GHXVNHWTFRMYLJ-XYPHTWIQSA-N	304.434	3.259	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)NCc2ccccn2)C2CC2)cc1	298877747	NKBXQXIRTMGOJY-UHFFFAOYSA-N	324.428	3.022	10	20	DGCD	
C[C@@H](NCC1(O)CCC1)c1ccc(N2CCCCC2)c(F)c1	305161540	XDARESDPBNCLRW-CQSZACIVSA-N	306.425	3.382	10	20	DGCD	
CCOc1ccccc1NC[C@@H](O)COc1ccccc1F	314442694	BZSFNMWBJBZORT-CYBMUJFWSA-N	305.349	3.076	10	20	DGCD	
Cc1c(CNC(=O)NC[C@H]2CCSC2)n(C)c2ccccc12	350066053	CSNFFCZGICGSOE-CYBMUJFWSA-N	317.458	3.039	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCc1noc2c1CCCC2	367970795	SBQUJQCPFKLOLV-UHFFFAOYSA-N	310.756	3.341	10	20	DGCD	
CN(Cc1c(O)ccc(Cl)c1F)C1C[C@@H]2CC[C@H](C1)N2C	377633363	XSDZBBTUPNUVSX-FOSCPWQOSA-N	312.816	3.242	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)OCc2cnn(C)c2)c1	745242146	HKRDDQNEDFEEEE-UHFFFAOYSA-N	323.396	3.493	10	20	DGCD	
CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2O)c1C(C)C	753659337	WACJIQZSDWTEPL-UHFFFAOYSA-N	314.385	3.285	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@]2(C)CCCO2)cc1	755440195	LIEWVOPBXMBKOT-IBGZPJMESA-N	312.413	3.393	10	20	DGCD	
COC(=O)c1cccc(CN(C)c2ccc(OC)c(F)c2)c1	757851570	AMCHMVZXGVOHND-UHFFFAOYSA-N	303.333	3.257	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(O)c(F)c1	767293686	JNCBTJJQECZLRP-UHFFFAOYSA-N	300.333	3.384	10	20	DGCD	
CCO[C@@H]1C[C@H](N(C)Cc2cc(OC)c(C)cc2O)C1(C)C	768445642	HXFALVAPFCUJGB-DLBZAZTESA-N	307.434	3.345	10	20	DGCD	
Oc1cc2c(cc1CN(CC1CCCCC1)C1CC1)[C@H](O)CO2	768446500	YKIPGWXSZJDMPW-GOSISDBHSA-N	317.429	3.363	10	20	DGCD	
CCN(C)c1ccc(CNC(CC)(CC)CC(=O)OC)cc1	773775416	IDMICQCTWHPUCQ-UHFFFAOYSA-N	306.450	3.354	10	20	DGCD	
Cc1cc(Br)cc(CN(C)Cc2cccn2C)c1O	775713388	LTQQFONLLSMCIK-UHFFFAOYSA-N	323.234	3.434	10	20	DGCD	
Cc1cc(NS(=O)(=O)c2cccc(C(F)F)c2)ccc1O	780398770	RFOIGUFBEGLMQB-UHFFFAOYSA-N	313.325	3.439	10	20	DGCD	
CCOc1cccc(CN[C@@H](CCOC)Cc2ccco2)c1O	784624677	FUVHAASFBXIBTB-HNNXBMFYSA-N	319.401	3.121	10	20	DGCD	
Cc1cccc(CN[C@H]2CCCN(C3CCCCC3)C2=O)c1O	785984462	FKKZECOSGSCHGR-KRWDZBQOSA-N	316.445	3.114	10	20	DGCD	
Cc1cc(C(=O)OCc2ccncc2)c(C)n1-c1ccccn1	787989667	YKDXHLORKSOSDL-UHFFFAOYSA-N	307.353	3.241	10	20	DGCD	
C[C@@]1(CNCc2c(O)ccc(Cl)c2F)CCO[C@@H]1C1CC1	790990916	NIYHYKLIBAZOLH-CVEARBPZSA-N	313.800	3.480	10	20	DGCD	
CCCCC[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)OC	792180748	SYUDDBDNHQNMNV-GFCCVEGCSA-N	317.788	3.396	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cccnc2)c1O	805746602	CCMNHHIICUMWSU-QGZVFWFLSA-N	314.360	3.466	10	20	DGCD	
CCc1cc(NC(=O)NCc2cc(OC)ccc2O)ccc1F	806553216	JQYAWZUWHYUOTE-UHFFFAOYSA-N	318.348	3.424	10	20	DGCD	
CN(C)CCCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F	809729654	NHMRLHKBZDQEGN-UHFFFAOYSA-N	317.399	3.155	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNCC[C@]1(O)C[C@H]2CC[C@H]1C2	816616608	BAVCWGMXHVUMHK-PKWAYOAASA-N	313.800	3.216	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c1	817939032	XZISWMMIWWMLIE-AUUYWEPGSA-N	313.445	3.112	10	20	DGCD	
CCC[C@H](OC)C(=O)NCc1ccc(N(CC)CC)c(F)c1	823213968	UFBZFXOWQBMYCF-INIZCTEOSA-N	310.413	3.103	10	20	DGCD	
Cc1cc(O)c(CNCCCN2CCCCCC2=O)cc1Cl	825059324	WJSLUMDGSLFWOT-UHFFFAOYSA-N	324.852	3.236	10	20	DGCD	
C[C@@H]1CCSCCN1Cc1ccc(Br)cc1O	825685757	LLYXTIONGYQVHP-SNVBAGLBSA-N	316.264	3.482	10	20	DGCD	
COc1cc(CN2C[C@@H](C)[C@@](C)(CO)C2)c(O)c(C(C)(C)C)c1	827692383	IIXVKAJMRAJELX-BFUOFWGJSA-N	321.461	3.149	10	20	DGCD	
O=C(NC[C@@H](c1ccccc1)C1CC1)c1c(F)ccc(O)c1O	832826827	ZHYCBTBZFOXUJW-ZDUSSCGKSA-N	315.344	3.161	10	20	DGCD	
C[C@@H]1CC[C@@H](CN[C@H](C)c2ccc(Br)cc2O)O1	834915700	SAKSKZRZLNNRLQ-FOGDFJRCSA-N	314.223	3.373	10	20	DGCD	
Fc1cc(CN[C@@H]2CC[C@@H]2C2CC2)cc(F)c1N1CCOCC1	839145190	NJYXGUGIVUTJOS-RHSMWYFYSA-N	322.399	3.080	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H](C)C1	840479626	PWJSIIUKKRSIMO-HIFRSBDPSA-N	303.450	3.043	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCO[C@@]2(CCSC2)C1	840937484	VAKJYIAFYXZKFC-AEFFLSMTSA-N	320.502	3.205	10	20	DGCD	
Cc1cc(O)c(CN2CCC([C@H]3CCCNC3)CC2)cc1C	849350311	NNUCFCBFAPXJQN-KRWDZBQOSA-N	302.462	3.221	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CNC/C=C/CO)cc1	850357519	MELYYQFDKZMLOJ-VOTSOKGWSA-N	310.441	3.351	10	20	DGCD	
OC1CCN(c2ccc(CNC[C@H]3CC=CCC3)cc2)CC1	850405635	XKCOBBLZFKYOMT-INIZCTEOSA-N	300.446	3.094	10	20	DGCD	
CCOc1ccc(O)c(CNCc2cccc(OC)c2C)c1	850416493	JUSAATHFLSMPFJ-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cc(C)ccc1O	862758213	SREVYZHUNJLFKX-SFHVURJKSA-N	313.397	3.483	10	20	DGCD	
CO[C@H](C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863160812	BVQNSISOFRJOFX-OAHLLOKOSA-N	300.402	3.054	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNC[C@H]2C[C@H](O)C2)cc1	873178320	PIUJGPJIWVPRDH-JCNLHEQBSA-N	316.470	3.245	10	20	DGCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CC=CCC1	877307504	IAAZWIWLNAUDBQ-QGZVFWFLSA-N	314.473	3.436	10	20	DGCD	
CC[C@H](CSC)N(C)Cc1ccc(N2CCC(O)CC2)cc1	877531910	ROBPSGBQKDDEEQ-MRXNPFEDSA-N	322.518	3.221	10	20	DGCD	
CCN(CC)CCC[C@H](C)NCc1cc(F)cc(F)c1O	882877764	DATZDHGCSFCAST-LBPRGKRZSA-N	300.393	3.271	10	20	DGCD	
COc1cc(Br)cc(CNC/C=C\Cl)c1O	898435581	JMFBVRYWOSWKJZ-IHWYPQMZSA-N	306.587	3.005	10	20	DGCD	
Cc1cc(NCc2ccc(N3CCCCC3)cc2)c(=O)n(C)c1	902255782	MSMXLYRESJCDMZ-UHFFFAOYSA-N	311.429	3.296	10	20	DGCD	
Cc1cc(CN[C@@H](C(=O)O)c2ccccc2F)ccc1N(C)C	905379652	XJRJMAXXKPDKQC-QGZVFWFLSA-N	316.376	3.116	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@H](C)N(C(=O)CC(C)C)C2)cc1C	987836348	SLSRECVWMCMZSR-RDJZCZTQSA-N	318.461	3.129	10	20	DGCD	
COC(=O)N1CCC(N[C@@H]2C[C@H](C)c3c(C)ccc(O)c32)CC1	1116820184	UOIORDKLXKZGRH-GXTWGEPZSA-N	318.417	3.069	10	20	DGCD	
C[C@@H](NC(=O)/C=C/c1nccs1)c1ccc(N(C)C)cc1	1123737358	AYDWFVLRJAZCRK-IDVQTMNDSA-N	301.415	3.100	10	20	DGCD	
COc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(N)cc2)cc1	1261371824	ARGYDHMZGGZTQS-ZDUSSCGKSA-N	313.401	3.372	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1Cc2ccccc2[C@H]1N	1336077232	HZMQZVOXDMFSHC-VXHCAWKWSA-N	308.425	3.463	10	20	DGCD	
CN(C)c1ccc(CN[C@@]2(C(=O)O)CCCC(C)(C)C2)cc1	1598320677	MASGQQWCZBICHU-SFHVURJKSA-N	304.434	3.266	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)O)cc1	1776862113	VKKGPPZBBAVJHV-JOCBIADPSA-N	316.445	3.122	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2ccc[nH]2)cc1	79603003	WNCAYTCJMQYXAC-KRWDZBQOSA-N	312.417	3.127	10	20	DGCD	
CCS[C@H](C)c1noc(CN(C)Cc2ccccc2O)n1	137278623	QJSXUVAARCCHMY-LLVKDONJSA-N	307.419	3.221	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H](C)C3CCOCC3)CC2)cc1	157456172	OYYZPQJQCFCRQH-HNNXBMFYSA-N	318.461	3.069	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CCN(C)[C@H](C)C3)cc2)CC1	157493315	NUGQZINKDMDWMR-IEBWSBKVSA-N	315.505	3.495	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](C)c1ccncc1	160625901	XMLQSQMBJJIDAM-HNNXBMFYSA-N	311.429	3.266	10	20	DGCD	
C[C@H](NC[C@H](c1ccccc1)N(C)C)c1ccc(F)cc1O	170788847	SINXJPJXXJMTQT-SUMWQHHRSA-N	302.393	3.485	10	20	DGCD	
Cc1cccc(CN2CCC[C@H](c3nnc4ccccn34)C2)c1O	179623495	RJOSOQZTFWJVTL-INIZCTEOSA-N	322.412	3.123	10	20	DGCD	
C[C@H](NC[C@@H]1CSCCS1)c1ccc(F)c(F)c1O	187752740	XCRRPUDTBBABCZ-DTWKUNHWSA-N	305.415	3.170	10	20	DGCD	
CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc2N1	193108744	TWGQKTYZCXPCTL-AWEZNQCLSA-N	312.369	3.195	10	20	DGCD	
COc1cc(Cl)cc(CNC2CCN(C3CCC3)CC2)c1O	273721462	IMEGLKRGRHCMJD-UHFFFAOYSA-N	324.852	3.161	10	20	DGCD	
O=C1OCC[C@@]12CCCN2Cc1cc(-c2ccccc2)ccc1O	275155235	VJZINCXWTMFZQT-FQEVSTJZSA-N	323.392	3.341	10	20	DGCD	
CCCOc1ccc(CN[C@H](C)[C@@H](O)c2ccccc2)c(O)c1	288557529	MAMYWGZFIRJZCJ-AUUYWEPGSA-N	315.413	3.393	10	20	DGCD	
CCOc1cccc(CN2CCCCC[C@@H]2C[C@@H](C)O)c1O	289814566	SZPQCVHWADAXMK-GDBMZVCRSA-N	307.434	3.306	10	20	DGCD	
CC[C@H](C)NC(=O)CCN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21	314705429	JZZURUNKHNMUHH-MELADBBJSA-N	304.434	3.143	10	20	DGCD	
CCOCCN(CC)C(=O)NCc1c(C)c2ccccc2n1C	472240119	NMDQEHWBFHIFGW-UHFFFAOYSA-N	317.433	3.055	10	20	DGCD	
C[C@H]1[C@H](C2CC2)[C@@H]1C(=O)NCc1cc(Br)ccc1O	529391528	ZYSWRIWNUASDHS-MCCGJVOXSA-N	324.218	3.063	10	20	DGCD	
CC(C)COC[C@@H](O)CN(Cc1ccccc1O)C1CCCC1	733613227	FYWATBOIXGISTK-SFHVURJKSA-N	321.461	3.170	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@H](C)c2ccccc2)c1	734065363	VRLMDLSKUWVIJY-ZDUSSCGKSA-N	314.385	3.004	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ncoc1C(C)C	734405777	KKHPFRXHRWIIMU-UHFFFAOYSA-N	301.390	3.102	10	20	DGCD	
Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2C)cc1	734516534	BQGHPVHNKIPZRP-UHFFFAOYSA-N	311.429	3.369	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c(O)cccc1Cl	734558746	WCJKVBJHMLZAPS-UHFFFAOYSA-N	318.804	3.350	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H](C)c2cccc(Cl)c2)c1	743410895	RAWBLMLHPQAUCW-LLVKDONJSA-N	319.788	3.474	10	20	DGCD	
CC[C@H]1C[C@H](C)CN1C(=O)NCc1ccc(N2CC=CC2)cc1	745839296	WLPZWRCDENILFE-RDJZCZTQSA-N	313.445	3.393	10	20	DGCD	
O=C(NCc1ccccc1O)c1cccnc1SC(F)F	748352531	DJFROEQAYAJUSJ-UHFFFAOYSA-N	310.325	3.032	10	20	DGCD	
CCCCCc1nnc(NC(=O)NCc2ccccc2O)s1	748438638	OWRJJRFFIKJJPA-UHFFFAOYSA-N	320.418	3.298	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@@H](C)N(C)C)c1	749571554	YKHFQBIYTKNDRT-MRXNPFEDSA-N	313.445	3.082	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNC1CCC2(CC1)CC2	752936919	OITYMFVELHLYRE-UHFFFAOYSA-N	300.446	3.336	10	20	DGCD	
CCN1CCC[C@H]1CN[C@H](C)c1cc2c(cc1O)CCCC2	756356365	AKJRDKCWBPVHNR-PBHICJAKSA-N	302.462	3.406	10	20	DGCD	
Cc1ccccc1[C@H](CC(=O)O)NCc1ccc(N(C)C)cc1	756360754	HCPPBOLBDKZEGC-SFHVURJKSA-N	312.413	3.367	10	20	DGCD	
C[C@H]1C[C@H](NCc2ccc(N(C)C)nc2)c2c(O)ccc(F)c21	756401428	PBVXXJQEBYWCRZ-FZMZJTMJSA-N	315.392	3.330	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@@H](O)c2ccsc2)c2c(O)ccc(F)c21	756592049	IHKNTTLZWRIHSS-GAJTVXKRSA-N	307.390	3.464	10	20	DGCD	
CC(C)Cn1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1	773000856	QCHYWSPLDQHYBR-CQSZACIVSA-N	314.433	3.096	10	20	DGCD	
CCOC(=O)[C@]1(C(C)C)CCN(Cc2cc(C)cc(C)c2O)C1	773325558	HTJFIHTWWSGYKY-LJQANCHMSA-N	319.445	3.420	10	20	DGCD	
C[C@@H](NC(=O)N1CC[C@@H](C2CC2)C1)c1ccc(N(C)C)cc1	773615375	WLPPVQAHXLSCGE-CZUORRHYSA-N	301.434	3.255	10	20	DGCD	
COC(=O)c1cccc(COc2ccc(N3CCCC3)cc2)n1	774824858	CXPALGCHGVQTLX-UHFFFAOYSA-N	312.369	3.047	10	20	DGCD	
CC[C@H](N[C@H](C)COCCOC)c1cc(Cl)ccc1O	775528379	XSNXIMFZBSTHIQ-RISCZKNCSA-N	301.814	3.138	10	20	DGCD	
CC[C@@H](C)n1nc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C	779543819	FVEQORYVUVMLKF-LXSSAFMLSA-N	315.373	3.226	10	20	DGCD	
CC[C@@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)cc2C)CCO1	781642490	QZOIDPFXUPKHMH-MAUKXSAKSA-N	318.461	3.273	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1scnc1C1CC1	787275202	NZYAYYCPQISCRU-UHFFFAOYSA-N	315.442	3.486	10	20	DGCD	
CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC)cc1O	792833366	AMXGXWXQYFZRLF-SWLSCSKDSA-N	306.406	3.169	10	20	DGCD	
COc1ccc(CNC(=S)N[C@H](C)c2cccs2)c(O)c1	795032147	QKJYWUYXXBHDGS-SNVBAGLBSA-N	322.455	3.188	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cc(F)ccc2C)c(O)c1	797607433	YDZPJXPWMZZTHI-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CCOCCOC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C	807594429	RKZUXIHORIOCSO-UHFFFAOYSA-N	317.385	3.296	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCCOC[C@@H]2CCOC2)c1O	808695533	OANOFMCZKVWLBA-QWHCGFSZSA-N	313.825	3.058	10	20	DGCD	
COCC[C@H]1COCCN1Cc1cc(C(C)C)c(C)cc1O	812297427	HRCAKKKGUNWOOL-INIZCTEOSA-N	307.434	3.061	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@@H](OC)C2)cc1	814405889	HSUIVWZDYXIISU-SJLPKXTDSA-N	318.461	3.354	10	20	DGCD	
CC(C)(C)[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1	816594505	GWULVUXGTMZMOV-AWEZNQCLSA-N	301.789	3.432	10	20	DGCD	
C[C@@H](CSC(C)(C)C)NC[C@H](N)c1ccc(N(C)C)cc1	817944039	WZPYLNDFRNLWJP-BBRMVZONSA-N	309.523	3.262	10	20	DGCD	
C[C@@H](N[C@H]1CC12CCNCC2)c1cccc(C(F)(F)F)c1O	817976522	NAQIJCQFDSMEIO-MFKMUULPSA-N	314.351	3.204	10	20	DGCD	
CC[C@H](C)[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819586331	NNUNKWPLLSIKLY-HRCADAONSA-N	318.461	3.320	10	20	DGCD	
CC[C@@H]1CCC[C@H]1CNCc1ccc([N+](=O)[O-])c(OC)c1O	824653765	HHYWCALRKJLXMM-NEPJUHHUSA-N	308.378	3.225	10	20	DGCD	
Cc1cc(O)c(CNc2cnc3c(c2)COCC3)cc1Cl	825416247	AGPQWGHPORWNCT-UHFFFAOYSA-N	304.777	3.434	10	20	DGCD	
COc1cc(CN2CCC[C@H](CO)CC2)c(O)c(C(C)(C)C)c1	826017534	SFEPLLXURZBJSQ-AWEZNQCLSA-N	321.461	3.293	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cnc(C)cc2C)c1	834904365	XJEJSJMVNQPAEZ-ZDUSSCGKSA-N	314.385	3.041	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCC1(CO)CC1	836970250	SMOIKYVPNUNSJY-UHFFFAOYSA-N	318.442	3.048	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(COC)CCCC1	837370722	VDCLTFRGRPGISG-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCCS1	839921268	YGCQMCGRQQGCKN-WMLDXEAASA-N	320.502	3.394	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2F)c1	840442362	XOBJHBCLQLDTTH-ZLKJLUDKSA-N	310.369	3.042	10	20	DGCD	
CCCCN(C)CC1CCN(C(=O)Nc2ccc(N)cc2)CC1	841301507	RKMXPRCEQNPRMP-UHFFFAOYSA-N	318.465	3.245	10	20	DGCD	
C[C@@H](NC[C@@H](CO)Cc1ccco1)c1ccc(Cl)cc1O	841756859	CTOBWSCSYYYTDE-NEPJUHHUSA-N	309.793	3.140	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](CC(C)C)C(=O)O)cc1	841815696	JHFOQVWWETYKLB-INIZCTEOSA-N	306.450	3.369	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]([C@@H]3CCCNC3)C2)cc1C	843128283	VQNBZNBQIBCDCR-IAGOWNOFSA-N	302.462	3.221	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](O)CCc2ccccc2)c1O	846161989	DOTKTIBTDPLGGI-ZBFHGGJFSA-N	315.413	3.045	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](CCO)c2ccccc2F)c1O	846175145	XFEQSVWBKVQCOD-LRDDRELGSA-N	319.376	3.314	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1	851987474	OALCUYGJOAMQPT-HZPDHXFCSA-N	301.434	3.084	10	20	DGCD	
CN(CCC1CCOCC1)Cc1cc(F)c(N(C)C)cc1F	862248236	UDWOYNFSBHHLBL-UHFFFAOYSA-N	312.404	3.279	10	20	DGCD	
CCOc1ccc(CNc2nc(C(C)(C)OC)ns2)c(O)c1	865295817	LKPTXGXBBLDHSC-UHFFFAOYSA-N	323.418	3.136	10	20	DGCD	
COc1ccc(CN(C)Cc2c(C)cccc2O)c(OC)c1	876534280	AYNMCYPPVBVNMS-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4C=C[C@H]3C4)ccc21	882420024	XHRJBBOJPGEVBU-RDJZCZTQSA-N	324.424	3.305	10	20	DGCD	
Cc1cc(C)cc([C@H](O)CNCc2cc(F)cc(F)c2O)c1	883112166	BOADKUXNGPYVEA-MRXNPFEDSA-N	307.340	3.110	10	20	DGCD	
CCOc1cccc(CNCc2cc(C)cc(OC)c2O)c1	894183371	PGFVWOFGNZCKFJ-UHFFFAOYSA-N	301.386	3.398	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)n1C	915198032	YIHUYSCRMONZCH-UHFFFAOYSA-N	311.429	3.172	10	20	DGCD	
CC[C@@H](C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)[C@@H]1C	1074536330	PJTFFBUMTVGXSH-KMFMINBZSA-N	318.461	3.129	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@H]2CCO[C@H](C3CC3)C2)cc1F	1328701050	AIVPOYDQMPYZBW-DYVFJYSZSA-N	310.388	3.078	10	20	DGCD	
Nc1ccc(CNC(=O)N2CCC3(CCSCC3)CC2)cc1	1346739970	WCSHKWJTJVDZML-UHFFFAOYSA-N	319.474	3.088	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CC(C3CCCC3)C2)c([N+](=O)[O-])c1	1601881020	LOLQJZDWKPGDFF-SOFGYWHQSA-N	316.357	3.319	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNC3CC(C(=O)O)C3)c2C)c1	1607836676	HTQKIWACFFWCOH-UHFFFAOYSA-N	312.413	3.355	10	20	DGCD	
Cc1ccccc1OCCC(=O)NCc1ccc(N(C)C)cc1	8171100	IIMBJYQZXCYESD-UHFFFAOYSA-N	312.413	3.146	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccccc2C)c1	103597491	PHUYSBAKCKCKTG-ZDUSSCGKSA-N	314.385	3.270	10	20	DGCD	
Cc1ccc(O)c(CNc2ccc(OCCN(C)C)cc2)c1	103855670	VFYDVYVMFARWAL-UHFFFAOYSA-N	300.402	3.253	10	20	DGCD	
CCc1noc(-c2ccc(CCNCc3ccccc3O)cc2)n1	105491506	GPZNRFGRYABYQW-UHFFFAOYSA-N	323.396	3.337	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1nnc(CC)s1	118792866	WPQQCJIFLVTRSQ-UHFFFAOYSA-N	320.418	3.250	10	20	DGCD	
CSc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)o1	115280104	BAFVEBIXIWWZIQ-UHFFFAOYSA-N	304.415	3.306	10	20	DGCD	
CN(C(=O)/C=C/c1cccnc1)c1ccc(-c2ccccc2)nn1	126052478	VWKOMONVDKZIDN-FMIVXFBMSA-N	316.364	3.215	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1OCCc2ccccc21	127729825	KBHATLMFKOQPTI-LJQANCHMSA-N	324.424	3.025	10	20	DGCD	
Cc1cc(C(=O)NCCc2ccccc2)c(C)n1-c1ccccn1	73743968	JHKXFEJNNNOJJB-UHFFFAOYSA-N	319.408	3.462	10	20	DGCD	
Cc1cnccc1NC(=O)NCc1ccc(N2CC=CC2)cc1	121403690	HSWDJQRJEMEHOR-UHFFFAOYSA-N	308.385	3.088	10	20	DGCD	
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccccc2O)C1	180024791	CKOVFPBNSALMLV-OAHLLOKOSA-N	320.433	3.224	10	20	DGCD	
Cc1cc(C)nc(NC(=O)NCc2ccc(N(C)C)cc2C)c1	126208194	GOYTVOVANBHSIP-UHFFFAOYSA-N	312.417	3.395	10	20	DGCD	
Cc1nnc(NCc2ccc(N3CCSCC3)cc2)s1	77489023	UQPRFDLNNNKXPJ-UHFFFAOYSA-N	306.460	3.012	10	20	DGCD	
CC[C@H](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	189695769	IWVCVXZERXKJRC-GOEBONIOSA-N	305.418	3.336	10	20	DGCD	
CCCCO[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	75159572	CGJVZGSVGNVVOK-ZDUSSCGKSA-N	305.418	3.092	10	20	DGCD	
O=C(NCc1ccccc1O)c1ccc(Br)cc1	133792524	ZEDYWBWAXNENHX-UHFFFAOYSA-N	306.159	3.085	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](COCC)C(C)C	191816607	QNAKXIYDKXSTNZ-MRXNPFEDSA-N	322.449	3.375	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(OC(F)F)cc1	237639496	ADXXGFJMHNPZQZ-LLVKDONJSA-N	320.339	3.290	10	20	DGCD	
CC[C@@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(C)cc1O	527996740	FRIIQQWAZIBQMU-NVXWUHKLSA-N	310.397	3.305	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC1(C)CCOCC1	267836852	LWJNGXPAEBYJON-UHFFFAOYSA-N	320.433	3.131	10	20	DGCD	
CCOC1CC(CCN[C@H](C)c2cc(C(=O)OC)ccc2O)C1	276709339	WMVJFIYLNWQFJH-DNOWBOINSA-N	321.417	3.035	10	20	DGCD	
Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c(O)c1O	276160941	FQADXFHLZNZNGM-JTQLQIEISA-N	317.307	3.209	10	20	DGCD	
C[C@H](NC(=O)COc1ccc(N(C)C)cc1)c1cccs1	277730649	HQBLHKPJJGTADR-LBPRGKRZSA-N	304.415	3.070	10	20	DGCD	
CC(C)Cn1ncc(C(=O)NCc2ccccc2O)c1C1CC1	271090344	WBLCTSONNXXMIA-UHFFFAOYSA-N	313.401	3.052	10	20	DGCD	
C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1O	282220518	HYEIPHBZNAWEJH-LILOVNGRSA-N	322.257	3.261	10	20	DGCD	
COC(=O)c1csc([C@H](C)NCc2ccc(N(C)C)cc2)c1	285488006	BXLZEHOCKWGAIW-LBPRGKRZSA-N	318.442	3.452	10	20	DGCD	
CC1CCN(CCCCN[C@H]2CCc3cccc(O)c32)CC1	295792559	BRFLOBPIQCZSBS-KRWDZBQOSA-N	302.462	3.481	10	20	DGCD	
CSC[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O	807835319	FRXVADFYULFSRR-ZETCQYMHSA-N	308.230	3.314	10	20	DGCD	
C[C@@]12CCN(C(=O)c3cc(O)cs3)C[C@H]1C2(Cl)Cl	807524413	TWJSBOUYGUHCHF-MWLCHTKSSA-N	306.214	3.110	10	20	DGCD	
C[C@@H](CC(C)(C)O)N[C@H](C)c1cc(Br)ccc1O	296421353	LJUOFTDGRIEKLB-VHSXEESVSA-N	316.239	3.355	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cnnn1-c1ccccc1	808709064	UIPIWPYTMLKKES-UHFFFAOYSA-N	320.396	3.229	10	20	DGCD	
Cc1cc(O)c(CN(CCN(C)C)Cc2ccco2)cc1C	809745828	GLVWWAKASDWXLD-UHFFFAOYSA-N	302.418	3.166	10	20	DGCD	
CCOc1ccc(O)c(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1	291542631	LKLVJNYKPSCJCE-SJORKVTESA-N	305.418	3.180	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@@H](O)Cc1ccc(F)cc1	815055382	YTBFCAOFMLZIBF-SFHVURJKSA-N	317.404	3.347	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCc1cccnc1	827956106	OEUFNZPQHDTQPT-UHFFFAOYSA-N	311.429	3.095	10	20	DGCD	
COc1cccc(O)c1CNCC[C@]1(C)CC1(Cl)Cl	824971688	WTHVZXXWJOHWKF-CYBMUJFWSA-N	304.217	3.464	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](O)c2ccc(F)cc2)cc1Cl	825038096	QMDHGIZJOKVYHN-INIZCTEOSA-N	309.768	3.316	10	20	DGCD	
Nc1ccc(NC(=O)NC2CCN(c3ccccc3)CC2)cc1	841301794	ZKCKEEQLBBNRIQ-UHFFFAOYSA-N	310.401	3.059	10	20	DGCD	
COc1cc(C)cc(CN(C)[C@H]2C[C@@H](OC)C23CCC3)c1O	840143723	XGMYWQQADWRJCG-JKSUJKDBSA-N	305.418	3.099	10	20	DGCD	
COc1cc(O)c(CNc2ccc([C@H](C)N)cc2)cc1OC	841028032	JSFCVZAJFDPXOM-NSHDSACASA-N	302.374	3.041	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C2CCC2)cc1	844857180	RGEDHXAPNXPCPZ-AWEZNQCLSA-N	304.434	3.026	10	20	DGCD	
C[C@H](c1ccco1)N(C(=O)NCCc1ccc(N)cc1)C1CC1	841957358	IMPRSMRPUUWQNX-CYBMUJFWSA-N	313.401	3.340	10	20	DGCD	
C[C@H](N)[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	843051925	MWBSZPGJMBJSAD-WMZOPIPTSA-N	301.478	3.236	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC[C@]2(CCCN2)C1	841105262	DOYILXSAFCVFAP-CQSZACIVSA-N	301.217	3.027	10	20	DGCD	
COc1ccc(N(C)Cc2ccsc2C(=O)O)c(OC)c1	846251901	QKUCSPMKPZMKBI-UHFFFAOYSA-N	307.371	3.100	10	20	DGCD	
C[C@@](O)(CNCc1cc(Cl)ccc1O)c1cccc(F)c1	922564945	XDJNYPJLXJQJGD-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
CCC/C(C)=C\C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753731248	KUADEXKOKXPIKC-OWBHPGMISA-N	320.408	3.229	10	20	DGCD	
CC(C)CC[C@H](CO)NCc1c(O)cccc1Br	858241709	YQETVYXDAPDJMT-LLVKDONJSA-N	316.239	3.041	10	20	DGCD	
CCOc1ccc(N(C)Cc2ccccc2CC(=O)OC)cc1	751992094	HQHGTKKKKOOYLC-UHFFFAOYSA-N	313.397	3.437	10	20	DGCD	
COc1ccc2c(c1)OC[C@H](N[C@@H](C)c1cc(C)ccc1O)C2	756774963	MYWPOXDSPDBRFV-DZGCQCFKSA-N	313.397	3.364	10	20	DGCD	
O=C(NCCCSc1nccs1)N1C[C@@H]2CCCC[C@@H]21	853854541	BMMJGJVYZJPBJW-RYUDHWBXSA-N	311.476	3.209	10	20	DGCD	
CCCN(Cc1c(O)cccc1OC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	769470252	JPDLVTXSNZHWRT-XWIAVFTESA-N	319.445	3.426	10	20	DGCD	
C[C@@H](NC(=O)CCC1(C)CC1)c1ccc(N2CCOCC2)cc1	930745197	SRBIWCSXFIFNNW-OAHLLOKOSA-N	316.445	3.281	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC(F)(F)C1	763703987	AHRDYRCWNHBWDS-CYBMUJFWSA-N	311.376	3.082	10	20	DGCD	
COc1cc(OC)c2c(c1)N(C(=O)/C=C/c1cccnc1)CCC2	862775640	MFHHMVAXVUTBLS-BQYQJAHWSA-N	324.380	3.091	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cn(C)nc2C)cc1	768208947	WGWTVYUWUJSXQH-UHFFFAOYSA-N	300.450	3.207	10	20	DGCD	
COc1cc(CN(C)[C@H]2C[C@@](C)(OC)C2(C)C)c(O)cc1C	768464888	BYYIQSBONMXTDO-FUHWJXTLSA-N	307.434	3.345	10	20	DGCD	
COC[C@@H]1CCCCN(Cc2cc(Cl)cc(F)c2O)C1	768539911	DVHIHPVNNVVPSJ-LLVKDONJSA-N	301.789	3.433	10	20	DGCD	
COc1ccc(C2(C(=O)N(C)c3ccc(N)cc3)CCC2)cc1	877080115	HAEXGQOTXXJHSF-UHFFFAOYSA-N	310.397	3.362	10	20	DGCD	
Cc1cccc(O)c1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1	876817888	OIDYFSYLRREBGZ-CQSZACIVSA-N	312.417	3.076	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@@H]3C3CCC3)cc2)CC1	775669575	LVFUASFCLXQFNG-HXUWFJFHSA-N	313.489	3.203	10	20	DGCD	
COc1ncc(/C=C\C(=O)N2CCCc3c(C)cc(C)cc32)cn1	775826581	DPEBSMYWTSCJBT-SREVYHEPSA-N	323.396	3.095	10	20	DGCD	
C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cc(O)cs1	771033245	OBIPSHVVURPHKM-MRVPVSSYSA-N	309.337	3.491	10	20	DGCD	
CN(CC(=O)N(C)C1CCCCC1)Cc1cccc(Cl)c1O	775652796	UMJKEXFLDMHHIB-UHFFFAOYSA-N	324.852	3.269	10	20	DGCD	
COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2O)ccc1F	775098053	QADPWXSCXSWFFT-UHFFFAOYSA-N	322.292	3.069	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Cl)cn1	887276876	BOUHIGUOYKNMOI-WQLSENKSSA-N	307.806	3.191	10	20	DGCD	
C[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(N)cc2)CC1	883570009	QMZVLMAKTLJLLD-OAHLLOKOSA-N	324.428	3.180	10	20	DGCD	
Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cs1	880640616	QVPIPOSQHPIKGD-VIFPVBQESA-N	306.387	3.220	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CNc2ccccc21	1121957674	ZUKVWJPODWXBBD-KRWDZBQOSA-N	322.408	3.097	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC(C)(C)CC(F)(F)F)cc1	780183694	IKPRDLSMSHSFRH-UHFFFAOYSA-N	317.355	3.283	10	20	DGCD	
CC[C@@H](NCc1cccn(CC)c1=O)c1cc(Cl)ccc1O	788603257	ACIUWQMLGDBIBD-OAHLLOKOSA-N	320.820	3.468	10	20	DGCD	
C[C@H]1CCCC[C@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1	783199652	PRJRDRGFMIYWSO-RYUDHWBXSA-N	306.358	3.040	10	20	DGCD	
Cc1cccc(C[C@H](CO)N[C@@H](C)c2cc(F)cc(F)c2O)c1	786574819	GHFLOTRIPIAMNS-SWLSCSKDSA-N	321.367	3.233	10	20	DGCD	
COc1cc(C)cc(CN[C@H]2CCOC3(CCCC3)C2)c1O	894333514	XWQQFSLHLYQNET-HNNXBMFYSA-N	305.418	3.291	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C(C)C)[C@@H](CO)C(C)C)c1O	894902657	KHVCWHWVVQFWAH-RDJZCZTQSA-N	309.450	3.088	10	20	DGCD	
COC(=O)c1ccc(CNCc2ccc3c(c2)CCO3)cc1C	892794475	VCCYRXDABYOGOW-UHFFFAOYSA-N	311.381	3.006	10	20	DGCD	
CCc1nc([C@H](C)NCc2ccc(OC)c(OC)c2O)cs1	892977235	KQTOUMLBWACZJS-JTQLQIEISA-N	322.430	3.279	10	20	DGCD	
C[C@@H](NCc1ccccc1O)[C@@H]1CCN(Cc2ccccc2)C1	272183385	KNSVTZPQIHCRBO-VQIMIIECSA-N	310.441	3.392	10	20	DGCD	
COc1ccc(CNCc2ccc3c(c2)CC(C)(C)O3)c(O)c1	793389501	ZWQMWNFZIWNAIR-UHFFFAOYSA-N	313.397	3.404	10	20	DGCD	
CC[C@H](NCCC1(O)CCOCC1)c1cc(Cl)ccc1O	797029849	BIZQUMQKASSZOE-AWEZNQCLSA-N	313.825	3.018	10	20	DGCD	
COc1ccc(CNc2nc(C(F)(F)F)cs2)c(O)c1	795290050	OZIDPIGDNYEKLS-UHFFFAOYSA-N	304.293	3.488	10	20	DGCD	
C[C@H](CN(C)C(=O)OC(C)(C)C)N[C@H](C)c1ccccc1O	706406731	MAWLXPNVZJBCFV-CHWSQXEVSA-N	308.422	3.298	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCc2c(O)nnc(C)c2C)cc1	1320577785	QGIDPNFJCMCJNW-CQSZACIVSA-N	314.433	3.106	10	20	DGCD	
CCOc1cccc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c1O	1339300470	JEPUKNKLXVIYOC-UHFFFAOYSA-N	317.433	3.444	10	20	DGCD	
O=C(c1cccc2c1CCN2)N1C[C@H]2CCCN2c2ccccc21	1341569858	AAHNKIZIDLGKCD-CQSZACIVSA-N	319.408	3.284	10	20	DGCD	
Cc1cc(Cl)cc(CN[C@@]2(C)CCCC[C@H]2C(=O)O)c1O	1607656253	VENDQLOVKYZSHF-BBRMVZONSA-N	311.809	3.477	10	20	DGCD	
C[C@@H](C(=O)O)N(Cc1cc(Cl)cc(F)c1O)C1CCC1	1603199028	UNQJNHLMIPITNU-QMMMGPOBSA-N	301.745	3.012	10	20	DGCD	
CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1NCc1ccc(N2CCCC2)cc1	1576389932	NIZYANAQFZRDRI-IPMKNSEASA-N	313.489	3.153	10	20	DGCD	
C[C@H](N[C@@H]1CCCc2cccnc21)c1cc(C(=O)O)ccc1O	1593354390	OSAOANZVVKDIJC-XHDPSFHLSA-N	312.369	3.214	10	20	DGCD	
C[C@H](N[C@H]1C[C@H]1Cc1ccccc1)c1cc(C(=O)O)ccc1O	1593218478	GKFHVWOFOPTABV-MJEQTWJJSA-N	311.381	3.372	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@H]32)c(C)c1	1776856827	OGYAJUZFVIVKJH-CWLKWCNXSA-N	316.445	3.040	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CC2CCC2)C(=O)O)c(C)c1	1776856133	OWEIFHJGHXDHGB-QGZVFWFLSA-N	304.434	3.184	10	20	DGCD	
C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc(O)c(O)c1	158996016	XBQVJGXWYHYAIY-LBPRGKRZSA-N	317.360	3.122	10	20	DGCD	
Cc1ncccc1CN(Cc1ccccc1O)C[C@H]1CCCO1	160201123	ASXJYHAZSNUDJY-GOSISDBHSA-N	312.413	3.277	10	20	DGCD	
CCC[C@H](CNCc1c(O)cccc1Br)OCC	706808066	OZZXYIJNUIJMKK-LLVKDONJSA-N	316.239	3.450	10	20	DGCD	
CCN1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S	5966826	HJFOKYACRIHKSC-MDWZMJQESA-N	303.408	3.227	10	20	DGCD	
Cc1cc(C(=O)N[C@@H](C)Cn2ccnc2)c(C)n1-c1ccccc1	42535686	PQHBABZXIWDDPM-AWEZNQCLSA-N	322.412	3.109	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC=CCC1	74333087	LYZYXYVHIBCBKS-CQSZACIVSA-N	300.402	3.179	10	20	DGCD	
CN(Cc1cn2cc(Cl)ccc2n1)Cc1ccccc1O	111236088	XQGCJZMIUDOFSJ-UHFFFAOYSA-N	301.777	3.325	10	20	DGCD	
C[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccc(N(C)C)cc1	124808829	GVEPEFQCIVNYJL-SCLBCKFNSA-N	302.393	3.276	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@@H](CC)c2ccccc2O)c1	155358022	VDSCRFRRBJUZGW-KRWDZBQOSA-N	312.413	3.383	10	20	DGCD	
COc1cccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c1O	175986077	BGAGCUCRDOMIOF-UHFFFAOYSA-N	316.357	3.334	10	20	DGCD	
COc1cccc(CNC(=O)C2(Cc3ccccc3)CC2)c1O	176286917	QSFBAERQLKRILI-UHFFFAOYSA-N	311.381	3.040	10	20	DGCD	
Oc1ccccc1CN(Cc1cscn1)C[C@@H]1CCCO1	176799392	NUJUXTXEAMFPTN-HNNXBMFYSA-N	304.415	3.030	10	20	DGCD	
C[C@H]1CC[C@H](C)N1C(=O)NCc1ccc(N2CCCC2)cc1	177262106	QGQYUNBEZFKKMB-GJZGRUSLSA-N	301.434	3.369	10	20	DGCD	
Cc1cccc(CNc2ccccc2N2CCC(O)CC2)c1O	180052785	JSGBHWOWRCDGQV-UHFFFAOYSA-N	312.413	3.274	10	20	DGCD	
COc1cccc([C@H](O)CN[C@@H](C)c2ccc(C)cc2O)c1	185419611	PIFMQCNOBZFKFB-SCLBCKFNSA-N	301.386	3.093	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1C[C@@H](C)Oc2c(F)cccc21	187109370	VEXFEFIYSDJMRN-VQCYPWCPSA-N	318.373	3.418	10	20	DGCD	
CCOc1cc2c(cc1NCc1ccccc1O)OCCO2	189261153	NJDXFILFCRCSCZ-UHFFFAOYSA-N	301.342	3.174	10	20	DGCD	
Nc1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1	195308863	MVHIVFVAKOZGQJ-NSHDSACASA-N	302.761	3.112	10	20	DGCD	
COCCC(C)(C)CNCc1cc(Br)ccc1O	230867933	IUEAIDNBWMUXRW-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
CCOc1cccc(CNc2ccc3c(c2)OCCO3)c1O	236941568	MGKPBSJPWOXBAZ-UHFFFAOYSA-N	301.342	3.174	10	20	DGCD	
O[C@@H](CNCc1ccc2c(c1)CCO2)c1cc(F)cc(Cl)c1	278794293	QWMBNNMHMIUDOT-INIZCTEOSA-N	321.779	3.237	10	20	DGCD	
CC(C)n1nccc1CNCc1cccc(Br)c1O	280669053	UBVNVVZLEGNGSO-UHFFFAOYSA-N	324.222	3.222	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](F)CC1CCCCC1	281333954	VPRIRXSYPRIGFZ-SWLSCSKDSA-N	323.408	3.454	10	20	DGCD	
CCOC(=O)N1CCC(N[C@H](CC)c2ccc(F)cc2O)CC1	285820304	WHPYLQAWDJJBJP-OAHLLOKOSA-N	324.396	3.193	10	20	DGCD	
C[C@@H](N[C@H](C)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	287360783	OAEGRMVDMICFRB-GHMZBOCLSA-N	320.330	3.264	10	20	DGCD	
CC(=O)C(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1	289513579	COQGWCSVCXATIN-UHFFFAOYSA-N	321.427	3.149	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NCc2nncn2-c2ccccc2)c(O)c1	293934583	YECLSKKZRLCRKA-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
C[C@@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)C[C@H]1C	315997983	ZUMAIONWXZOCMS-NUJGCVRESA-N	302.462	3.438	10	20	DGCD	
Cc1c(CNC(=O)c2n[nH]c3ccccc23)n(C)c2ccccc12	352125540	ITLLHLHDNWMTGH-UHFFFAOYSA-N	318.380	3.293	10	20	DGCD	
C[C@H]1CC[C@@H](C(=O)O)CN1Cc1cc(Cl)cc(Cl)c1O	397128401	XIFKUOJOSMANDN-DTWKUNHWSA-N	318.200	3.384	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC=C(Cl)C2)c([N+](=O)[O-])c1	404413765	XDSJRIFVUIYSGK-XQRVVYSFSA-N	308.721	3.025	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1	745858159	ORSFIYONMKHBJP-IEBWSBKVSA-N	310.397	3.264	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)N(C)C	750016822	CGNCHXMNSPGWHF-HNNXBMFYSA-N	317.477	3.022	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)OCO2	750862160	VLMSHKIRBSEBHB-UHFFFAOYSA-N	313.353	3.173	10	20	DGCD	
Cc1ccc([C@@H](C)NCCC(=O)NC2CCCCC2)c(O)c1C	756440030	CBYVZPAHVWNHMR-OAHLLOKOSA-N	318.461	3.499	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1	756454351	MBLVPGBGKYUZDG-FPCVCCKLSA-N	320.477	3.418	10	20	DGCD	
C[C@@H](NC[C@H]1COc2ccccc2C1)c1cc(F)ccc1O	756457846	RRSMEYXDMPCEFP-OLZOCXBDSA-N	301.361	3.433	10	20	DGCD	
CCCc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)co1	759964027	XCVRRYUNBMWFSQ-UHFFFAOYSA-N	314.385	3.142	10	20	DGCD	
CCOC(=O)C1(N(C)Cc2cc(C)ccc2O)CCCCC1	769504700	XXBXTCQXPQRTHK-UHFFFAOYSA-N	305.418	3.398	10	20	DGCD	
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cccc(OC)c1O	770353766	ULPQTLAUAJYDLQ-HOTGVXAUSA-N	307.434	3.426	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3ccno3)c2C)c1	777779244	HSPXNOMLOHWERM-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H]2CCCCS2)c1O	784619338	ZJXFZPKPBWWNOA-NSHDSACASA-N	316.810	3.329	10	20	DGCD	
CC[C@@H](NC[C@@H](C(C)C)N1CCOCC1)c1ccc(C)cc1O	794794942	SYZUJUUJCJJKDM-MSOLQXFVSA-N	320.477	3.098	10	20	DGCD	
CCc1ccccc1NC(=S)NCc1ccc(OC)cc1O	795032032	OVFOYFZDBXGQME-UHFFFAOYSA-N	316.426	3.450	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CCCOC1	801545331	NKBMJBIGQYIKCM-OAHLLOKOSA-N	305.418	3.338	10	20	DGCD	
CN(Cc1ccnc(Br)c1)c1ccc2c(c1)OCO2	815075693	JRVFXWOOIFQVTR-UHFFFAOYSA-N	321.174	3.209	10	20	DGCD	
C[C@H](N[C@@H]1CCN[C@H](C)C1)c1cc(Cl)c(Cl)cc1O	817971804	QDQJFYTXGFMRHY-KXUCPTDWSA-N	303.233	3.490	10	20	DGCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCF)cc1	824778226	QMSFIYPAAZBPIY-KRWDZBQOSA-N	322.424	3.010	10	20	DGCD	
COc1ccc(O)c(CNC[C@@](C)(OC)c2ccccc2)c1	824780551	SSLAPDCPGHRWNY-GOSISDBHSA-N	301.386	3.052	10	20	DGCD	
C/C(=C/C(=O)N1C[C@@H](C)Oc2ccc(C)cc21)c1cnccn1	826819962	ZODWJJLMOOGCQC-RNQWEJQRSA-N	309.369	3.002	10	20	DGCD	
C[C@H](CCCc1cccnc1)NCc1cc([N+](=O)[O-])ccc1O	834554820	GYRWSIMLXSQLOJ-CYBMUJFWSA-N	315.373	3.196	10	20	DGCD	
CC[C@H](N[C@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1O	834896556	LEFLXPKFCXJCJS-ABAIWWIYSA-N	307.825	3.451	10	20	DGCD	
CC/C=C\CNC(=O)NCc1ccc(N2CCSCC2)cc1	836243055	SUGPPYNGCNKKGG-ARJAWSKDSA-N	319.474	3.005	10	20	DGCD	
CC[C@H]1CCC[C@H]1CNC(=O)NCc1cc(OC)ccc1O	838474317	IDZGXJCEDARDDE-STQMWFEESA-N	306.406	3.026	10	20	DGCD	
OCC1(NCc2cccc(Cl)c2O)C2CC3CC(C2)CC1C3	840964504	WSOFRNPKGVMNLL-UHFFFAOYSA-N	321.848	3.322	10	20	DGCD	
COc1cccc(CN2CC3(CCOCC3)[C@@H]2C(C)C)c1O	840971129	UFCXXYFIDWRFFX-KRWDZBQOSA-N	305.418	3.038	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H](c1ccccc1)N(C)C	841296684	XEKVRXUIDHCAAQ-DYVFJYSZSA-N	312.417	3.082	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2cccc(OC)c2O)cc1OC	846138993	ZIHZASXRHFYYHC-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
COc1cccc([C@H](C)N[C@H]2CCO[C@]3(CCSC3)C2)c1O	846155104	DQOZCCGRYYLTMZ-GDZNZVCISA-N	323.458	3.106	10	20	DGCD	
CCn1ccc(CNCc2cc(OC)cc(C(C)(C)C)c2O)n1	850323808	GHVSPMTWMJWEFO-UHFFFAOYSA-N	317.433	3.205	10	20	DGCD	
CO[C@H]1C[C@H](NCc2ccc(N(C)C)cc2C(F)(F)F)C1	858321580	AHLKFQJBMLFOQN-AULYBMBSSA-N	302.340	3.038	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC3(CCOCC3)C2)cc1F	862250630	MUSGGNJTGKBSFB-UHFFFAOYSA-N	310.388	3.033	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)CCOc2ccccc2)c1	862760226	OBDKQBKWNWRABP-HNNXBMFYSA-N	313.397	3.422	10	20	DGCD	
COCCn1ncc2ccc(NCc3c(C)cccc3O)cc21	877160079	RKBMXGMROOCXFN-UHFFFAOYSA-N	311.385	3.309	10	20	DGCD	
CN(C)CCOc1ccc(N(C)Cc2ccc(Cl)cn2)cc1	894462580	YXPSUBDRPSIOQW-UHFFFAOYSA-N	319.836	3.312	10	20	DGCD	
Oc1c(CNCCO[C@@H]2CCCCO2)ccc2ccccc12	894796407	IGZGASXYRHPWGL-QGZVFWFLSA-N	301.386	3.178	10	20	DGCD	
COc1cc(C)cc(CN2CC3(CCOCC3)[C@H]2C2CC2)c1O	894863109	QNESTEUCLYGGCI-GOSISDBHSA-N	317.429	3.100	10	20	DGCD	
Cn1nc(C2CC2)cc1CNCc1cc(Cl)c(F)cc1O	897223945	BZODVURWODZMBK-UHFFFAOYSA-N	309.772	3.085	10	20	DGCD	
COc1cccc(CNCCCOc2cccc(F)c2)c1O	898444609	BZYDUWFVXQBVLA-UHFFFAOYSA-N	305.349	3.099	10	20	DGCD	
CCO[C@H]1CCN(Cc2c(O)ccc3ccc(OC)cc23)C1	902527131	AKCVDQSFCNFCGD-HNNXBMFYSA-N	301.386	3.165	10	20	DGCD	
CCN(CC)C1CCN(Cc2cc(Cl)c(F)cc2O)CC1	1117759305	NZGFLBPHLCZTHV-UHFFFAOYSA-N	314.832	3.491	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@@H]1CN1CCCC1	1204322968	XBDRZIOCLRZPJJ-HXUWFJFHSA-N	313.489	3.347	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](C)CC(=O)OC(C)(C)C)c1O	1329674534	FQFOLONSAJZGCX-RYUDHWBXSA-N	309.406	3.172	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCC[C@H](F)C1	1332092150	ACULDVWVHOTSTP-UONOGXRCSA-N	320.408	3.351	10	20	DGCD	
Nc1ccc(CN2CCC([C@H]3C(=O)Nc4ccccc43)CC2)cc1	1336285355	KLHLLEFPLZLZCN-LJQANCHMSA-N	321.424	3.217	10	20	DGCD	
COc1cc(C)cc(CNC[C@H]2OCCc3ccccc32)c1O	1338249565	AMJZPKHAEFFMCW-GOSISDBHSA-N	313.397	3.113	10	20	DGCD	
Cc1cc(CN(C)CC(C)(C)CN)ccc1N1CCCCC1	1579592968	OVOQNPVGQAAIBJ-UHFFFAOYSA-N	303.494	3.402	10	20	DGCD	
C[C@H](NCC1Cc2ccccc2C1)c1cc(C(=O)O)ccc1O	1593258220	XURNFRJLNGUWPY-LBPRGKRZSA-N	311.381	3.156	10	20	DGCD	
CCCN(c1ccc(CN)cc1)C1CCC(CC(=O)O)CC1	1595894615	NNUAFISXCSDFCJ-UHFFFAOYSA-N	304.434	3.395	10	20	DGCD	
CN(C)c1ccc(CN(C)c2ncc(C(=O)O)cc2Cl)cc1	1598317617	JJAJSNDTTZRDIG-UHFFFAOYSA-N	319.792	3.136	10	20	DGCD	
CN(C[C@H]1CC1(C)C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1606096245	GMGUFALIBFBKLP-SMYYYNMVSA-N	304.346	3.175	10	20	DGCD	
COc1ccc(CN[C@H](C)CN(C)C(=O)[C@@H](C)C(C)C)cc1C	1755606521	LGCDCHNQAJZFMU-CVEARBPZSA-N	320.477	3.232	10	20	DGCD	
CCN(C)c1ccc(CN2CC3(CCCC3)C[C@H]2C(=O)O)cc1	1776855579	NQHLJMCHGCCNFP-KRWDZBQOSA-N	316.445	3.362	10	20	DGCD	
CC[C@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	125527253	VRNPTITWUGQIOB-GOSISDBHSA-N	318.392	3.124	10	20	DGCD	
O=[N+]([O-])c1cc(Br)cnc1NCc1ccccc1O	125647445	ZTWVNZHPVLWBOE-UHFFFAOYSA-N	324.134	3.070	10	20	DGCD	
CCC(CC)n1nccc1C(=O)NCc1ccc(N(C)C)cc1	160678625	ILSHEKCGIGJNAB-UHFFFAOYSA-N	314.433	3.240	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1CCCc2cc(F)c(F)cc21	171447068	ZZRZCLNQNINOPM-ONEGZZNKSA-N	318.298	3.492	10	20	DGCD	
CCOC[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	177630944	XWTIBPYVDXJGRS-CYBMUJFWSA-N	307.434	3.254	10	20	DGCD	
COc1ccc(O)c(CN(Cc2ccco2)C[C@H]2CCCO2)c1	179838535	KGFQFXMTKHAMDX-QGZVFWFLSA-N	317.385	3.175	10	20	DGCD	
CON(Cc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1	181297537	OYLVPYVBWZHDSE-UHFFFAOYSA-N	313.401	3.026	10	20	DGCD	
Cc1cc(C)n(-c2ccc(CN[C@H](C)c3ccccc3O)cn2)n1	183428408	XDLSSNLODFCFQD-OAHLLOKOSA-N	322.412	3.441	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c1	185183904	UNQKZDKGQYJESV-GJZGRUSLSA-N	312.413	3.056	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)c2cccc(C)c2)c1	186124547	HBSVMDZRPLKPAU-SCLBCKFNSA-N	301.386	3.093	10	20	DGCD	
CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(O)c1O	187073281	PYNSHEUDZGDFGU-LBPRGKRZSA-N	303.383	3.309	10	20	DGCD	
CC(C)(C)C[C@@H](O)CNCc1cccc(Br)c1O	227372430	BYJXEYRZLRAUBP-LLVKDONJSA-N	316.239	3.041	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H]2CCCCS2)c1O	228677837	FXTVVIYKBGMGTK-GFCCVEGCSA-N	301.839	3.430	10	20	DGCD	
CC(C)(C)[C@@H](CCO)NCc1cc(Br)ccc1O	231073524	NROSWCDIFPEMAU-CYBMUJFWSA-N	316.239	3.041	10	20	DGCD	
CN1CCCN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21	255324030	PPGLCFJDWLZASH-FPLPWBNLSA-N	311.360	3.107	10	20	DGCD	
CC1CC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1	268054992	RKYSZDPOIUIIDL-UHFFFAOYSA-N	301.434	3.225	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC(C1CCC1)C1CCC1	286683828	IWQGIUJNVPIEMP-CSKARUKUSA-N	301.386	3.196	10	20	DGCD	
COCc1cccc(CSc2ncc(C(=O)OC)s2)c1	295364768	RWTHHBQYMWDZEM-UHFFFAOYSA-N	309.412	3.368	10	20	DGCD	
COc1cccc(CN[C@@H]2COc3c(Cl)cccc32)c1O	378088619	HTSGAVQHYUPTSV-CYBMUJFWSA-N	305.761	3.278	10	20	DGCD	
Oc1c(Br)cccc1CNCCC1CCOCC1	380780045	WNCCUFUSGCXJAC-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
C[C@@H](c1cccc(O)c1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	588407482	WLSBKIGIRAUXJH-UPZNUWHASA-N	313.353	3.036	10	20	DGCD	
O=C(NCCc1ccccc1C(F)(F)F)c1cc(O)cs1	732276998	ZZWFKFUDQLPITD-UHFFFAOYSA-N	315.316	3.445	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@]2(C)c2ccccc2)cc1	743642509	SOIUZORFOIMANP-UYAOXDASSA-N	323.440	3.282	10	20	DGCD	
C[C@H](NC[C@H](O)COc1ccccc1)c1cc(Cl)ccc1O	756396759	JZTLUIIYICIXTO-JSGCOSHPSA-N	321.804	3.136	10	20	DGCD	
C[C@@H](NCCc1ccn(C)n1)c1ccc(Cl)c(Cl)c1O	760895719	COKNZVKVGWSZTO-SECBINFHSA-N	314.216	3.326	10	20	DGCD	
C[C@H](NC[C@@H](C)C1CC1)c1ccc(N2CCOCC2)c(F)c1	765393502	KLYXMJVMCDJXQX-KGLIPLIRSA-N	306.425	3.359	10	20	DGCD	
CCOc1ccc(CN(C)[C@@H](CCO)c2ccccc2)c(O)c1	769424932	AJNIUSMARUSOKG-SFHVURJKSA-N	315.413	3.346	10	20	DGCD	
C[C@@H](C(=O)NCc1ccccc1O)c1cn(C)c2ccccc12	773398695	SQCVDWRAYNQOJL-CYBMUJFWSA-N	308.381	3.304	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)c1ccccn1	773886972	XJXJYVFCPDSEJS-OAHLLOKOSA-N	311.429	3.300	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](C)c2ccccc2)c1O	774943000	SKPHCVIUPOWGTD-LBPRGKRZSA-N	316.357	3.202	10	20	DGCD	
COc1ccc(F)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O	775032370	HENNJTDGQMAKHM-UHFFFAOYSA-N	322.292	3.069	10	20	DGCD	
Oc1c(Br)cccc1CNC1CC(C(F)F)C1	775152065	JUCIHXQKBYVVOL-UHFFFAOYSA-N	306.150	3.288	10	20	DGCD	
CC(=O)c1ccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	775411133	OUVFKCXRWYGMJO-CQSZACIVSA-N	324.424	3.375	10	20	DGCD	
CC[C@H](N[C@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1O	775487703	NVFQUCUOSGHKMQ-HOCLYGCPSA-N	318.804	3.313	10	20	DGCD	
CC[C@H]1[C@H](C)CCN1Cc1ccc(N2CCOCC2)c(F)c1	775997421	ASMWQYAPVBYOEU-PBHICJAKSA-N	306.425	3.283	10	20	DGCD	
CCOCOc1ccc(CNCc2ccc(N(C)C)cc2)cc1	782950327	MJDJTFMMULMVEU-UHFFFAOYSA-N	314.429	3.415	10	20	DGCD	
CN(C)c1ccc(CN(C(=S)NC2(C)CC2)C2CC2)cc1	789195939	LFIWPDYIHAFBKH-UHFFFAOYSA-N	303.475	3.144	10	20	DGCD	
Cc1ccccc1-n1nccc1/C=C1/SC(=S)N(C)C1=O	794859118	JLTDVIFGRWZFGG-UKTHLTGXSA-N	315.423	3.012	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCCNC(=O)C(C)C)c1O	808709808	ZPZFPULYGAQLLX-GFCCVEGCSA-N	312.841	3.167	10	20	DGCD	
CC[C@H](N[C@@H](C)C[S@](C)=O)c1ccc(C(F)(F)F)cc1O	810234472	DKGCDIQLSVNZKL-XDCKBPOISA-N	323.380	3.219	10	20	DGCD	
C[C@@H](NCc1cc(Cl)c(F)cc1O)c1nnc2ccccn12	816530433	ICZSIVOLGZVDSQ-SECBINFHSA-N	320.755	3.078	10	20	DGCD	
C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc(Cl)c(F)cc1O	816587768	VXGKGHUKQBSKSJ-BFVZDQMLSA-N	301.789	3.166	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)CCc3ncccn3)cc12	817762337	SNZCWMDYQKJLHU-UHFFFAOYSA-N	309.369	3.123	10	20	DGCD	
CC[C@@H](C)[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	817923515	LFCWLLCZTMMHKN-NEPJUHHUSA-N	317.458	3.481	10	20	DGCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1	817938169	GABVGLMDLRQUFL-SGTLLEGYSA-N	319.399	3.381	10	20	DGCD	
C[C@@H](Cc1ccncc1)NCc1ccc(Br)cc1O	825325740	HXBQFBQZWPHUEG-NSHDSACASA-N	321.218	3.271	10	20	DGCD	
Cc1ccc(O)c(CN(C)CC(C)(C)NC(=O)OC(C)(C)C)c1	826810802	ZMMRBKRKMDCLPZ-UHFFFAOYSA-N	322.449	3.436	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)[C@H](C)c2ccccc2)c(OC)c1	828474177	CQYXTHLVJSYKCE-KDOFPFPSSA-N	315.413	3.305	10	20	DGCD	
CCO[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	836406512	UCMCICOWFPAJFO-IAOVAPTHSA-N	319.449	3.070	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc(Cl)c[nH]1	839916213	PXORTKKXXLATEV-GFCCVEGCSA-N	319.836	3.404	10	20	DGCD	
CSC[C@H](C)NC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840306165	RXAPULXOLJEIIU-KBPBESRZSA-N	323.506	3.043	10	20	DGCD	
Cc1cc([C@@H](C)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n(C)n1	840895542	ZSPMJUNRYZYCSF-GOEBONIOSA-N	314.477	3.385	10	20	DGCD	
COc1cccc(O)c1CNC[C@@H](N)c1ccc(C(C)C)cc1	841037447	QHMAFEVHMBVEES-QGZVFWFLSA-N	314.429	3.314	10	20	DGCD	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)C1	841295552	BENYLJSHOOGAGC-VZEFYGNVSA-N	317.433	3.062	10	20	DGCD	
CC[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(C)cc1O	842884383	JAKKVTPLHHYNAP-GJZGRUSLSA-N	304.434	3.141	10	20	DGCD	
COc1cccc([C@H](C)NCCOc2cccc(F)c2)c1O	846148072	ZHKSVOWZYWCTLA-LBPRGKRZSA-N	305.349	3.270	10	20	DGCD	
CCc1cccc(CNc2cccc(C[S@@](C)=O)c2)c1O	848890825	MBFOHSLGWGVXMY-OAQYLSRUSA-N	303.427	3.445	10	20	DGCD	
COCc1csc(/C=C2/SC(=S)N(C3CC3)C2=O)c1	849173032	AWFSMMHGJFMZFL-VZUCSPMQSA-N	311.453	3.258	10	20	DGCD	
CC(C)(F)CCNC(=O)NCc1ccc(N2CCCC2)cc1	851988479	YXAZDDPTVMJEAM-UHFFFAOYSA-N	307.413	3.224	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2[C@@H](C)O)ccc1N1CCCCC1	852558047	FDYPDFCUUPOCAH-VQIMIIECSA-N	302.462	3.331	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)c1	858349696	NJAPWAYAPRJBRK-HOTGVXAUSA-N	320.433	3.094	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2F)c1	858532852	KQXCORVEUFZBSR-GOEBONIOSA-N	314.360	3.195	10	20	DGCD	
Cc1ccc(CN(C(=O)CN(C)c2ccc(N)cc2)C2CC2)cc1	863557425	OLYHLUCGNORRFZ-UHFFFAOYSA-N	323.440	3.205	10	20	DGCD	
CC[C@H](N[C@H](C)[C@H](O)C(F)(F)F)c1cccc(Cl)c1O	866463950	REZLSYOKJFSGQM-VHRDEZTHSA-N	311.731	3.398	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC(C4CC4)CC3)cc2)CC1	877545627	LFQKWGALRKJAOM-UHFFFAOYSA-N	314.473	3.270	10	20	DGCD	
O=C(O)CC[C@@H]1CCCC[C@H]1NCc1cc(F)cc(F)c1O	904017260	IIBSIGOOXNTCBK-IINYFYTJSA-N	313.344	3.184	10	20	DGCD	
Cn1c(=O)oc2cc(NCc3ccc(N4CCCC4)cc3)ccc21	1319986178	RJNZLBKFJHYRIW-UHFFFAOYSA-N	323.396	3.344	10	20	DGCD	
OC[C@H]1Cc2ccccc2N(Cc2ccc(N3CCCC3)cc2)C1	1327740305	MBMAAGPIOIHIFJ-SFHVURJKSA-N	322.452	3.458	10	20	DGCD	
Cc1ccc(CNCc2ccc(NC(=O)C3CC3)cc2)c(O)c1	1331054294	XECVKWUOFUSHEG-UHFFFAOYSA-N	310.397	3.339	10	20	DGCD	
Oc1cccc(Cl)c1CNc1cnn(Cc2cccnc2)c1	1341867403	DSLMIVMZMWSPPK-UHFFFAOYSA-N	314.776	3.298	10	20	DGCD	
C[C@H]1CCCN1c1nnc(-c2sccc2O)n1CC1CC1	1346978077	YYILFZWGNBFMNP-JTQLQIEISA-N	304.419	3.111	10	20	DGCD	
C[C@@H]1CC2(CCNCC2)CN1Cc1cc(Cl)c(F)cc1O	1576636662	FSIDUXUXFVQVGT-LLVKDONJSA-N	312.816	3.149	10	20	DGCD	
CC(C)c1cc(CN[C@H](C)c2cc(C(=O)O)ccc2O)on1	1591931553	VFEXLPUYYBJCMP-SNVBAGLBSA-N	304.346	3.053	10	20	DGCD	
CCN1CCc2cc(CN[C@@]3(C(=O)O)CCCC3(C)C)ccc21	1776877463	LOLLNPCYDBABNB-LJQANCHMSA-N	316.445	3.192	10	20	DGCD	
Cc1nnc(-c2cccc(C(=O)N(C)Cc3ccccc3O)c2)o1	177077513	XRWWMGJPZSVAHJ-UHFFFAOYSA-N	323.352	3.023	10	20	DGCD	
CC[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1	172698035	VGYXKOZKFWTIIL-HUUCEWRRSA-N	301.434	3.297	10	20	DGCD	
CC[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccccc2O1	172688536	QWWFODWDBYKNKP-KIUWMYQTSA-N	312.344	3.438	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NCc2cc3ccccc3o2)cc1	61442021	JSRCUNFDRLTRTR-UHFFFAOYSA-N	323.396	3.498	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2nccc(C(F)(F)F)n2)c1	301177477	GPKQUCQGSMNMDR-MRVPVSSYSA-N	313.279	3.383	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCNC(=O)c2occc2C)c(O)c1	186068440	APYLNTNGXVAXLZ-CQSZACIVSA-N	316.401	3.073	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cn3cc(C)ccc3n2)c1	182462413	BWUISWTVEQKKPI-CYBMUJFWSA-N	311.385	3.208	10	20	DGCD	
Cc1cccc(C)c1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	190920867	GDXYBBMIPKPOQC-CYBMUJFWSA-N	314.385	3.467	10	20	DGCD	
Cc1cc(C(=O)Cn2nccc2[N+](=O)[O-])c(C)n1-c1ccccc1	47169448	XRJCQFNFZZOBER-UHFFFAOYSA-N	324.340	3.082	10	20	DGCD	
CCO[C@H](CCNC(=O)NCc1ccccc1O)C1CCCC1	266982482	NQMDBBFCFKCBDD-QGZVFWFLSA-N	320.433	3.177	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2c(C)c3ccccc3n2C)[C@H]1SC	459506328	PQSHFBGKJMHIOC-ZTFGCOKTSA-N	318.486	3.485	10	20	DGCD	
CC[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(C)cc1O	280113108	NSKRAFFMCPHDML-GDBMZVCRSA-N	305.418	3.427	10	20	DGCD	
C[C@@H](NC[C@@H]1OCCc2ccccc21)c1cc(F)ccc1O	371869753	KEVJZJSOSWXRIO-XIKOKIGWSA-N	301.361	3.496	10	20	DGCD	
COC(=O)Nc1cccc(CNCc2cc(C)c(C)cc2O)c1	285517535	OASMPWTYAPVZNS-UHFFFAOYSA-N	314.385	3.477	10	20	DGCD	
CC[C@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O1	807835307	FJBNYQVQEKAOOS-CMPLNLGQSA-N	318.200	3.273	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)NCc2ccnc(N(C)C)n2)c1O	808710417	PVJAFYIFIFZMPU-NSHDSACASA-N	320.824	3.061	10	20	DGCD	
CC(C)(CO)[C@H](NCc1cc(F)ccc1O)c1ccccc1	809656267	YYBQPGJVSNXDRH-QGZVFWFLSA-N	303.377	3.381	10	20	DGCD	
CC[C@H]1CC[C@H]1NCc1ccc(N2CCN(CC)CC2)c(F)c1	806137154	HIGKSKZEIXDONY-FUHWJXTLSA-N	319.468	3.246	10	20	DGCD	
C[C@@H](NC[C@H]1NCCc2ccccc21)c1cc(F)cc(F)c1O	817972957	ACDYAHKBPCIMKR-PIGZYNQJSA-N	318.367	3.208	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc3ccccc3c2O)C[C@@H](C)[S@@]1=O	816608815	KEOGOYBZQDJKHQ-XNVILDLWSA-N	317.454	3.277	10	20	DGCD	
COC(=O)CCC[C@H]1CCC[C@H](NCc2ccccc2O)C1	815122877	QJTQQQWGJWMRSR-ZBFHGGJFSA-N	305.418	3.384	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@]3(CCN(C)C3)C2)cc1F	814178139	DFXSKQGDHWEHEQ-IBGZPJMESA-N	319.468	3.200	10	20	DGCD	
Cn1ccnc1[C@H]1CCN(Cc2ccc3ccccc3c2O)C1	816611782	XEBQOXYAKVKMGH-INIZCTEOSA-N	307.397	3.268	10	20	DGCD	
CCC(CC)(CNCc1c(O)ccc(Cl)c1F)C(=O)O	818629915	ACDVSHAQDVRQNZ-UHFFFAOYSA-N	303.761	3.165	10	20	DGCD	
Oc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1	728566546	BEVDWVXOYASIFM-UHFFFAOYSA-N	317.352	3.109	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@H]1C1CCC1	823115981	OHFQDJDWSFMEEP-ZWKOTPCHSA-N	311.429	3.051	10	20	DGCD	
Oc1cc2c(cc1CNC1(c3ccc(F)cc3)CCC1)OCO2	726606110	UKRHWDULPSOCLG-UHFFFAOYSA-N	315.344	3.429	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3C3CC3)ccc21	728748726	ZBVONAWYEJFRNQ-GOSISDBHSA-N	313.445	3.153	10	20	DGCD	
CC(C)[C@@H](N[C@H](C)c1cc(Cl)ccc1O)c1nncn1C	903064068	KIXROOCIXSEZSF-QMTHXVAHSA-N	308.813	3.222	10	20	DGCD	
O[C@H](CNc1ccccc1OCC1CC1)CC1(O)CCCCC1	905325378	QCGWEHHFLDTIER-INIZCTEOSA-N	319.445	3.334	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1nc(C)c(C)o1)CCC2	839657067	ZTPIORRZUGLGFL-UHFFFAOYSA-N	302.374	3.261	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ccc(C(=O)O)s1	832493502	FVXCKNFAQHBFLN-UHFFFAOYSA-N	303.383	3.408	10	20	DGCD	
CC(=O)Nc1c(C)ccc(NC(=O)c2cc(O)cs2)c1C	732275348	WOCGHBGJVWIFLV-UHFFFAOYSA-N	304.371	3.281	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@]3(CCSC3)C2)c1O	832505164	AQGCEDYDEXCJRB-QGZVFWFLSA-N	323.433	3.453	10	20	DGCD	
Cc1cc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1N(C)C	831166521	UACDZQPAMOKVNI-BHIYHBOVSA-N	302.462	3.186	10	20	DGCD	
CN(C)c1ccc(CN(CCn2cc(Cl)cn2)C2CC2)cc1	838794003	QNJYICXXJVASIK-UHFFFAOYSA-N	318.852	3.267	10	20	DGCD	
O=C(CC1CC(c2ccccc2)C1)NCc1ccc(O)cc1O	910946112	HVCMUPXXNKAXRG-UHFFFAOYSA-N	311.381	3.298	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@H](OC)c2ccccc2)c1O	846147005	UQOCEBSUVPPUFG-CXAGYDPISA-N	301.386	3.439	10	20	DGCD	
O=C(Cc1csc(-c2ccccc2)n1)NCc1ccccc1O	748354272	IBDIFQPOMJIARD-UHFFFAOYSA-N	324.405	3.375	10	20	DGCD	
CC[C@@H](COC(=O)/C=C\c1ccc(O)c(O)c1)CC(F)F	849744677	FSQAQRKOBZIMHL-AYYIZTPMSA-N	300.301	3.336	10	20	DGCD	
COc1cccc(CN(CC(=O)OC(C)(C)C)C2CCC2)c1O	848927722	LYJBJFIPGFDRFV-UHFFFAOYSA-N	321.417	3.097	10	20	DGCD	
COc1cccc(C[C@@H](C)NCc2cc(Cl)ccc2O)n1	846055802	NZYLBFZUJFBSQZ-LLVKDONJSA-N	306.793	3.170	10	20	DGCD	
CC[C@@H](C)c1nc(C)c(CC(=O)Nc2ccc(N)cc2)c(C)n1	848392924	KJDLLVUIVFSCQT-LLVKDONJSA-N	312.417	3.370	10	20	DGCD	
CC(C)CNC(=O)CN(C)c1ccc(-c2nccs2)cc1	846995311	ZODJHNQSTZSDQJ-UHFFFAOYSA-N	303.431	3.019	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCC[C@H]([C@@H]2CCCNC2)C1	843126044	FFULDVJIRJXCNT-KGLIPLIRSA-N	308.853	3.257	10	20	DGCD	
CC[C@H](N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1	840892793	DEYZJTAKCSDNMA-IEZWGBDMSA-N	304.478	3.397	10	20	DGCD	
CCCC(O)(CCC)CC(=O)N(C)Cc1ccc(N(C)C)cc1	756784647	VUFXTXWJOHWNLL-UHFFFAOYSA-N	320.477	3.432	10	20	DGCD	
c1cc2c(cc1CN[C@@H]1CCO[C@]3(CCSC3)C1)CCCO2	921862091	MLKFQJUHSDDFBM-SJLPKXTDSA-N	319.470	3.156	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCC[C@H](C)CO	759890493	VQCVVNBGOZZXIG-LBPRGKRZSA-N	320.458	3.294	10	20	DGCD	
CN(C)c1ccnc(NCc2cc(Cl)cc(Cl)c2O)n1	766108462	OHGNXSMOXNKYHC-UHFFFAOYSA-N	313.188	3.167	10	20	DGCD	
C[C@@H](NC(=O)c1cnn(C2CCC2)c1)c1ccc(N(C)C)cc1	935464403	LXFMOYNZAYXCMK-CYBMUJFWSA-N	312.417	3.165	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)c1ccccc1	765756876	NRJUCICUYDIZRS-UHFFFAOYSA-N	306.159	3.085	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C[C@H]1CC1(Cl)Cl	774753781	OHDZECOZWXOGOG-SNVBAGLBSA-N	301.217	3.145	10	20	DGCD	
CO[C@@H](C)C(=O)Nc1cccc(NCc2ccc(C)cc2O)c1	876826148	IATLBIVSEDALSX-ZDUSSCGKSA-N	314.385	3.286	10	20	DGCD	
CC[C@H](NC[C@@H](O)COc1cccc(F)c1)c1ccccc1O	775491000	XPTPDACUPFMNOM-PBHICJAKSA-N	319.376	3.012	10	20	DGCD	
CCCOc1ccc(CNC2C[C@@H]3CC[C@H](C2)N3C)cc1C	873130335	BKBHMOFQUOXJNQ-AYHJJNSGSA-N	302.462	3.499	10	20	DGCD	
CCOC1CC(O)(CN[C@@H](CC)c2cc(Cl)ccc2O)C1	774486950	JYYYEJHADINZPE-UGWHAMFMSA-N	313.825	3.016	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCCC[C@H]2C)c1O	774982972	HHJHRSUXMNYVDV-NEPJUHHUSA-N	308.378	3.225	10	20	DGCD	
Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccccc1O	789330162	FPWVQLLFJLJHCC-UHFFFAOYSA-N	322.368	3.208	10	20	DGCD	
CC(C)N(C)CCN[C@H](C)c1cccc(C(F)(F)F)c1O	788590231	UYTVXVUKIQYAHO-LLVKDONJSA-N	304.356	3.402	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1Cc2ccccc2[C@H]1O	1120361736	BFFWLAPBFTYCIR-DKIXSGTJSA-N	309.409	3.497	10	20	DGCD	
COc1ccc(CNC[C@@H]2CCC[C@H]2C2CC2)c(O)c1OC	894890645	WQKPYCOSUMMPFY-ZFWWWQNUSA-N	305.418	3.325	10	20	DGCD	
C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1cccc(C(F)(F)F)c1O	788763484	IZICROYZVQVTHX-AXTRIDKLSA-N	303.324	3.221	10	20	DGCD	
Cc1cc(CN(C)c2ccc(OCCN(C)C)cc2)cnc1F	893570143	DBQWEBHBZXEAES-UHFFFAOYSA-N	317.408	3.106	10	20	DGCD	
Cc1ccc(C2=NO[C@H](CNCc3ccccc3O)C2)cc1C	895499884	ZUBYJDSZUSYPAQ-KRWDZBQOSA-N	310.397	3.292	10	20	DGCD	
CCOc1ccc(O)c(CNCC(C)(C)C2CCOCC2)c1	897451395	MBUQSNRNYQAQQY-UHFFFAOYSA-N	307.434	3.333	10	20	DGCD	
CCOc1ccc(CN[C@H](C)[C@H](O)c2ccc(C)cc2)c(O)c1	796481520	IAAFTRJZQYVTDW-KUHUBIRLSA-N	315.413	3.311	10	20	DGCD	
COCCN(Cc1cc(OC)c(OC)cc1O)[C@H]1CC[C@@H](C)C1	790478760	LTIURTFCUZYHMG-HIFRSBDPSA-N	323.433	3.046	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](C)[C@@H](O)C(F)(F)F	1335523346	VPJWBUUIGDQMFX-DLVJRCHESA-N	303.324	3.150	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCOC(C)(C)C2)cc1	1335724049	DZUUMGFRZUEHDL-INIZCTEOSA-N	318.461	3.354	10	20	DGCD	
CN(Cc1cccc2cc[nH]c12)c1ccc(OCC(=O)O)cc1	1598527095	RDVNIOGLCZQFJQ-UHFFFAOYSA-N	310.353	3.268	10	20	DGCD	
CC(C)n1cc([C@@H](C)N[C@@H](C)c2cc(C(=O)O)ccc2O)cn1	1593197402	JVPVOMOMWSTOBB-NEPJUHHUSA-N	317.389	3.280	10	20	DGCD	
CCN(C)c1ccc(CN2CC3(CCC3)CC[C@@H]2C(=O)O)cc1	1776855557	MLQGVRQMAVWOSP-QGZVFWFLSA-N	316.445	3.362	10	20	DGCD	
COc1ccc([C@@H](C)CC(=O)NCCc2ccc(N)cc2)cc1	152546083	XPDSGEYTQLWDSJ-AWEZNQCLSA-N	312.413	3.130	10	20	DGCD	
CC(C)c1ccccc1OCCNC(=O)Cc1ccc(N)cc1	157962167	UNBIGDJHEXSUGP-UHFFFAOYSA-N	312.413	3.130	10	20	DGCD	
CC[C@H](NCCn1cccn1)c1cc(Br)ccc1O	49074690	RGSRXZQWANKAKB-ZDUSSCGKSA-N	324.222	3.092	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1nc(C2CC2)cs1	47387894	CIRCOZCMYDGTHX-UHFFFAOYSA-N	303.387	3.390	10	20	DGCD	
COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nccs2)c1	52913927	FLOYWDKCIMDYBD-SECBINFHSA-N	324.427	3.280	10	20	DGCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)s1	85204658	AXHMIKXVXWBMDE-UHFFFAOYSA-N	303.792	3.216	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)CC[C@H]2CCCCO2)cc1	171850477	CNLGVTWYFUCWOU-GOSISDBHSA-N	318.461	3.498	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H]1CCCN(C(C)C)C1=O	177027164	SWEYVQHCXWGGOT-INIZCTEOSA-N	304.434	3.004	10	20	DGCD	
CN(Cc1ccccc1O)C[C@H]1CCN(Cc2ccccc2)C1	179573809	YGOILMACGLRJJD-GOSISDBHSA-N	310.441	3.346	10	20	DGCD	
COc1ccc(N2CCCN(Cc3ncc(C)s3)CC2)cc1	180442256	KLDSVLILTKSDJQ-UHFFFAOYSA-N	317.458	3.172	10	20	DGCD	
C[C@@H](NCCc1ccc2c(c1)OCO2)c1ccc(F)cc1O	184896785	RESPIHOXCAFCHL-LLVKDONJSA-N	303.333	3.153	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O	185442372	YOQRUPFEDFUTGJ-WCQYABFASA-N	324.396	3.191	10	20	DGCD	
C[C@@H](NCCc1ccc2c(c1)CCO2)c1cc(F)ccc1O	185452098	UNPAUHYCPHGGBX-GFCCVEGCSA-N	301.361	3.360	10	20	DGCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@@H]1c1ccccc1	185737785	LWIFLQVGEYJTTD-HIFRSBDPSA-N	311.381	3.364	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2[nH]ncc2C1)c1ccc2ccccc2c1O	186115251	YDKUPSAGMHRQQP-IUODEOHRSA-N	307.397	3.477	10	20	DGCD	
CO[C@H](C)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1	195446227	OLVQNLSOFVBFDP-OAHLLOKOSA-N	318.461	3.497	10	20	DGCD	
COc1ccc(O)c(CNc2ccc(OCC(C)(C)O)cc2)c1	271912517	MQDQFQHPZLYZCZ-UHFFFAOYSA-N	317.385	3.163	10	20	DGCD	
CCC[C@@](C)(O)CN[C@@H](C)c1ccc(Br)cc1O	273622718	ZLXWWHWYYUSELM-IINYFYTJSA-N	316.239	3.356	10	20	DGCD	
CCO[C@H](CCN(C)C)CN[C@H](CC)c1ccc(C)cc1O	280166362	QYTYHOOKYAHHSD-NVXWUHKLSA-N	308.466	3.098	10	20	DGCD	
CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(F)cc1O	285499292	AFTOIBHERDIBTR-CKEIUWERSA-N	322.424	3.265	10	20	DGCD	
OCC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1	288385485	GLBFNDCBYYOQLZ-QGZVFWFLSA-N	317.816	3.488	10	20	DGCD	
Oc1ccccc1CNC[C@@H]1CCN(c2ccccc2F)C1	291016597	FZBVEFIDNBPNFC-AWEZNQCLSA-N	300.377	3.147	10	20	DGCD	
CN(Cc1cc(F)ccc1O)[C@@H](CO)c1ccc(Cl)cc1	294977999	GIOJXDCKVQFUDE-HNNXBMFYSA-N	309.768	3.350	10	20	DGCD	
CCOc1cccc(CN[C@H](CC)COCC(F)(F)F)c1O	295099205	KGEKUOSKSFGRDQ-GFCCVEGCSA-N	321.339	3.238	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCCOC[C@@H]1CCCO1	319812240	KTSCSRVAAOAEKE-PMPSAXMXSA-N	319.445	3.424	10	20	DGCD	
O=C(NCc1ccccc1C(F)(F)F)c1cccc(O)c1O	388417476	PRLAXSPUSWXUJQ-UHFFFAOYSA-N	311.259	3.047	10	20	DGCD	
CCOc1cc(CN(C)c2ccc3c(c2)OCO3)ccc1OC	514252119	LEKZOHOBSYLAGI-UHFFFAOYSA-N	315.369	3.459	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](C2CCCCC2)N(C)C)cc1F	733324677	SAECTCGZLGGWMY-LJQANCHMSA-N	321.484	3.492	10	20	DGCD	
COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(O)cs2)cc1	743642683	VBMXHDCLJDVTHE-UHFFFAOYSA-N	319.382	3.157	10	20	DGCD	
CCn1c(NC(=O)c2cc(O)cs2)nc2cc(F)ccc21	753477255	ZDFGLWWNGHTJJW-UHFFFAOYSA-N	305.334	3.215	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1O	756382914	GTARAGMUOIZKLS-RFAUZJTJSA-N	311.303	3.194	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)c1	756762562	PJHJIOGDZBEECP-WMLDXEAASA-N	316.445	3.285	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCN(C(=O)OC)C2)cc1	765628110	BISYORDQEDJGDR-GDBMZVCRSA-N	319.449	3.024	10	20	DGCD	
Oc1cc2c(cc1CN1Cc3ccccc3C(F)(F)C1)OCO2	771171980	PIPPPZZBQMXKJM-UHFFFAOYSA-N	319.307	3.229	10	20	DGCD	
C[C@H](NC(=O)N1CC2(CCCC2)C1)c1ccc(N(C)C)cc1	779659627	CPOGTAGATMHZHR-AWEZNQCLSA-N	301.434	3.399	10	20	DGCD	
CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	779875587	ZZSMBTIWHMUNDI-XHSDSOJGSA-N	318.461	3.383	10	20	DGCD	
CCn1cccc(CN[C@@H]2C[C@H](C)c3c(F)ccc(O)c32)c1=O	788605649	BBEUQAHKRWOLMV-SMDDNHRTSA-N	316.376	3.051	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCc2ccco2)cc1	789760563	XKKHIFBWRHMDES-UHFFFAOYSA-N	315.417	3.467	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)CCCC2	792882433	GDSBQDSNVVNDKX-QGOAFFKASA-N	318.376	3.027	10	20	DGCD	
CCOc1ccc(CNCC2(c3ccccn3)CCC2)c(O)c1	796515455	VSGPJGIMDHSEIP-UHFFFAOYSA-N	312.413	3.397	10	20	DGCD	
Cc1cc(C(=O)O[C@H](C)c2ccnn2C)c(C)n1-c1ccccn1	797009615	UESHVIWKANOYBE-CQSZACIVSA-N	324.384	3.141	10	20	DGCD	
CCc1cc(NC(=O)NCc2ccc(OC)cc2O)ccc1F	806557397	BCIMHWRIHGQSRT-UHFFFAOYSA-N	318.348	3.424	10	20	DGCD	
CCOc1cccc(/C=C2\SC(=S)N(C3CCC3)C2=O)n1	814186081	VKVNAOMQYWGFKK-XFXZXTDPSA-N	320.439	3.234	10	20	DGCD	
COc1ccc(C)cc1/C=C1/SC(=S)N(C2CC2)C1=O	814285566	XXANHYVHMJYYMC-MDWZMJQESA-N	305.424	3.367	10	20	DGCD	
CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc(N(C)CC)cc1	815632417	MPMBSQPCWZTYFU-CVEARBPZSA-N	319.493	3.346	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CCNCC[C@H]2C)cc1F	817903188	JOEXHFAMTHSZCH-PBHICJAKSA-N	307.457	3.150	10	20	DGCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1F	817938252	HMQFERYQQXLXLG-KPZWWZAWSA-N	319.399	3.381	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1F	824715098	HQNLEOBRZORQCM-LESCRADOSA-N	306.425	3.017	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H]3CN(C)CC[C@H]32)cc1Cl	825935508	WIDBZDOGJUHZRH-CZUORRHYSA-N	308.853	3.270	10	20	DGCD	
CCOC1CC(N(C)Cc2ccc(Br)cc2O)C1	825939838	HZUTXXNHZKSTCL-UHFFFAOYSA-N	314.223	3.154	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cncnc2C2CC2)cc1	836417381	HRZMTJXMXFLGJK-UHFFFAOYSA-N	324.428	3.130	10	20	DGCD	
CC[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@H](C)O	836860676	YVBXXXYZXGUDGP-GUYCJALGSA-N	318.392	3.122	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccnc(C)c1	838642325	MOTQYKNJYPRVRJ-UHFFFAOYSA-N	313.401	3.217	10	20	DGCD	
COc1ccc([C@H](CO)CN[C@@H](C)c2ccc(C)cc2O)cc1	840808814	MRILIEHZFBJMII-HOCLYGCPSA-N	315.413	3.136	10	20	DGCD	
C[C@@H](NCc1nnc(C2CC2)s1)c1cc(F)cc(F)c1O	840892052	UGDCTVURIPLMHV-SSDOTTSWSA-N	311.357	3.250	10	20	DGCD	
CCOc1ccc(CN[C@H](CCC(C)(C)C)C(=O)O)c(O)c1	840998707	OPYKWUAGNPKUFQ-CQSZACIVSA-N	309.406	3.160	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H](C)c1ccc(Cl)cc1O	841752806	CDCBEWZKTVXNPV-RYUDHWBXSA-N	312.841	3.249	10	20	DGCD	
C[C@@H](NC[C@H](CO)Cc1ccco1)c1ccc(Cl)cc1O	841756868	CTOBWSCSYYYTDE-VXGBXAGGSA-N	309.793	3.140	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CC[C@@H]2CCCNC2)cc1	844220677	JLGYFPINFAURMF-KRWDZBQOSA-N	303.494	3.354	10	20	DGCD	
CCc1nn(C)c(CC)c1CN[C@H](C)c1cccc(OC)c1O	846157372	LTXADJLSXLSTHW-GFCCVEGCSA-N	317.433	3.110	10	20	DGCD	
C[C@H](N[C@H]1CCCN2CCCC[C@H]12)c1cc(F)cc(F)c1O	848568307	FFVQIIGRHYWGQT-KNXALSJPSA-N	310.388	3.338	10	20	DGCD	
COc1cc(CNC[C@]2(C)CCOC2)c(O)c(C(C)(C)C)c1	850134498	AYFJMECQGVHOIT-SFHVURJKSA-N	307.434	3.215	10	20	DGCD	
COC1([C@H](C)NCc2c(O)cccc2Br)CCC1	858179116	YVOYUUDBXUDTIH-JTQLQIEISA-N	314.223	3.202	10	20	DGCD	
CCC[C@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)OCC	858210125	GJTGNCJGYQDCLH-GFCCVEGCSA-N	316.785	3.249	10	20	DGCD	
O=C(O)c1cnc(NCc2ccc(N3CCCC3)cc2)s1	864511257	SAPNTIZXYWTRTC-UHFFFAOYSA-N	303.387	3.054	10	20	DGCD	
CC(C)N1CCC(CCN[C@@H]2CCc3cccc(O)c32)CC1	866468259	DFBBMQFVZBYYCB-QGZVFWFLSA-N	302.462	3.480	10	20	DGCD	
Cc1nc(C)c(CCNC(=O)N[C@H](C)c2ccccc2O)s1	868229498	SVTYOBMKFOQSAU-SNVBAGLBSA-N	319.430	3.068	10	20	DGCD	
Cc1cc(C(=O)O)c(C)n1-c1ccc(-c2ccc(C=O)o2)cn1	874971601	OBMVRHHEFQYCCT-UHFFFAOYSA-N	310.309	3.260	10	20	DGCD	
CC1(C)CC(CNCc2ccc(N3CCC(O)CC3)cc2)C1	877458809	AAGFWVHCWXKCKD-UHFFFAOYSA-N	302.462	3.174	10	20	DGCD	
C[C@@H]1CCCCN1CCCCNCc1cc(F)cc(F)c1O	882892248	RKNJSRVAOGVIMD-CYBMUJFWSA-N	312.404	3.415	10	20	DGCD	
CC[C@H](N[C@H](CO)C[C@@H]1CCCO1)c1cc(Cl)ccc1O	886669605	BBOOXUVWNSAPSZ-YDHLFZDLSA-N	313.825	3.016	10	20	DGCD	
CC[C@@H](C)n1ncc(NCc2ccc(OC)c(OC)c2O)c1C	893997646	QCMAXFPRXXPVEQ-LLVKDONJSA-N	319.405	3.497	10	20	DGCD	
COc1cc(C)cc(CNCCC2C[C@H](C)O[C@@H](C)C2)c1O	894683615	BYAMKTWKZMBQEW-KBPBESRZSA-N	307.434	3.393	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H]2C)cc1	914165786	ODEMCUFCLPVGQG-ZDUSSCGKSA-N	310.397	3.070	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccccc1F	935947404	XKNWYQYBVSFUPM-UHFFFAOYSA-N	322.376	3.266	10	20	DGCD	
Cc1cccnc1CNCc1ccc(N2CCSCC2)cc1	1254453584	JVRLCICSNKDMLB-UHFFFAOYSA-N	313.470	3.233	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNc1nnc([C@H]2CCCO2)o1	1320685058	IDNPSHMEEOMRSS-OAHLLOKOSA-N	314.389	3.133	10	20	DGCD	
C[C@H]1C[C@@H](C)[C@@H](CN)CN1Cc1ccc(N2CCCC2)cc1	1325701910	CLIDHIRRIKLNHK-RYRKJORJSA-N	301.478	3.092	10	20	DGCD	
CCOc1ccc(N2CCN(CCCCCOC)CC2)cc1	1336436108	RRIACHOMSVRCJJ-UHFFFAOYSA-N	306.450	3.024	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)ncc2C)c1	1355301907	NPIUIRAJNBEJHP-SNVBAGLBSA-N	320.776	3.249	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCCC[C@H]1CCC(=O)O	1594311217	GDQMLSHQPKRIIV-INIZCTEOSA-N	304.434	3.280	10	20	DGCD	
CCCN(c1ccc(CN)cc1)[C@@H]1CC[C@H](CC(=O)O)[C@H]1C	1595894625	NYOTYPULDRPMDH-FRFSOERESA-N	304.434	3.251	10	20	DGCD	
CN(Cc1ccccc1O)[C@H](C(=O)O)c1c(F)cccc1Cl	1598530539	KFPWFAOIRIRNDP-HNNXBMFYSA-N	323.751	3.442	10	20	DGCD	
O=C(O)c1c[nH]c2cc(NCc3cc(F)cc(F)c3O)ccc12	1602236722	KKBKPDNQZVOPKB-UHFFFAOYSA-N	318.279	3.462	10	20	DGCD	
Cc1ccc(C(=O)O)cc1NC(=O)[C@@H](C)Sc1nccs1	1607738288	CTVONGQMEAESFA-SECBINFHSA-N	322.411	3.269	10	20	DGCD	
CCCN(Cc1cc(C(=O)O)c(CC)o1)c1ccc(CN)cc1	1609977887	PGTJNKKZZFFGFK-UHFFFAOYSA-N	316.401	3.416	10	20	DGCD	
O=C(O)c1ccc(CNCc2cccc(Cl)c2F)c(O)c1	1777676205	PVHHZBQYUKVCSZ-UHFFFAOYSA-N	309.724	3.173	10	20	DGCD	
CCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1F	177674929	LEBVDHSEYQJJDC-UHFFFAOYSA-N	305.305	3.196	10	20	DGCD	
COC(=O)c1oc(CN(C)c2ccc(OC)c(F)c2)cc1C	177069820	AWHQKNMQBVBIHM-UHFFFAOYSA-N	307.321	3.159	10	20	DGCD	
COc1ccc(CNC2CCN(C(=O)CC(C)C)CC2)cc1C	62256908	HZWBOFVOSJICBK-UHFFFAOYSA-N	318.461	3.130	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)NC(C)(C)CC	174372630	HQBQRGSWBZLNQY-CQSZACIVSA-N	306.450	3.298	10	20	DGCD	
C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1O	179877853	ZKLHYMDQEOGXBY-YJBOKZPZSA-N	324.424	3.234	10	20	DGCD	
CCN(CC)C(=O)C1(NCc2cccc(C)c2O)CCCCC1	181987120	MRXOPGAADZPBKM-UHFFFAOYSA-N	318.461	3.362	10	20	DGCD	
CNCCCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	120924055	RBQUJWCAFQLAAI-UHFFFAOYSA-N	319.836	3.087	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CC=CCC1	128030220	SIWCUDOILBKQQG-INIZCTEOSA-N	311.429	3.218	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)NC(CC)CC	76074117	CVJDXSTVTCSARS-AWEZNQCLSA-N	306.450	3.298	10	20	DGCD	
Cc1cc(O)c(CN2CCCN(c3nccs3)CC2)cc1C	195089103	FOCRMWHZDZPJEB-UHFFFAOYSA-N	317.458	3.178	10	20	DGCD	
CCCn1cc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cn1	273012404	VYMNPMPQXYYKAU-UHFFFAOYSA-N	314.433	3.021	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H]2COC3(CCCC3)O2)c(O)c1C	273488131	NRBHQSBHDFAASF-HUUCEWRRSA-N	305.418	3.345	10	20	DGCD	
CO[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1	273363683	DKNZAFLFKAKLSH-YVEFUNNKSA-N	316.357	3.339	10	20	DGCD	
C[C@@H](NCC1=CCCOC1)c1cc(Br)ccc1O	287201902	WIZXIFFEWRRFRP-SNVBAGLBSA-N	312.207	3.152	10	20	DGCD	
COc1ccc(O)c(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1	284267091	GRTAHIVDFASVKA-UONOGXRCSA-N	316.228	3.417	10	20	DGCD	
CC(C)[C@H]1N(C(=O)/C=C/c2ccc(O)c(O)c2)CC12CCC2	293664677	FWKHRILKVWKIIM-QQOXCAACSA-N	301.386	3.148	10	20	DGCD	
CCN(Cc1cnnn1-c1ccccc1)c1ccc(OC)cc1	808734571	CPXJGPNBCVICOP-UHFFFAOYSA-N	308.385	3.302	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCS1	807839897	UDFSEDYTEGAXGG-SNVBAGLBSA-N	306.214	3.211	10	20	DGCD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1ccc(N)cc1	818545259	SFSONTXWRPIQMI-LSDHHAIUSA-N	300.427	3.101	10	20	DGCD	
CC(C)[C@H]1N(Cc2ccc(N3CCOCC3)cc2)CC1(C)C	816624616	AXIZAYILAOOKJO-GOSISDBHSA-N	302.462	3.390	10	20	DGCD	
COc1cccc(CNC(=O)c2ccn(C(C)C)c2C)c1O	815834318	DRMACNWZJUARTG-UHFFFAOYSA-N	302.374	3.022	10	20	DGCD	
CCn1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)cn1	815593519	OVBQKZPFVMWJQZ-SNVBAGLBSA-N	313.323	3.478	10	20	DGCD	
CC[C@@H]1CCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1	817923753	MVGXCIKIEIAMOX-CQSZACIVSA-N	315.442	3.331	10	20	DGCD	
C[C@H](NC[C@@]1(C)CCCNC1)c1cc2c(cc1O)CCCC2	817965673	BQRHIQSZRXCSAI-LIRRHRJNSA-N	302.462	3.311	10	20	DGCD	
CCOc1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)c(O)c1	811521050	XVUCZSFUEDXTAP-AWEZNQCLSA-N	321.808	3.088	10	20	DGCD	
CO[C@H](CNCc1ccc(Br)cc1O)C(C)(C)C	825320859	PDHPUTSZZWCBHV-CYBMUJFWSA-N	316.239	3.305	10	20	DGCD	
CC[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1	727940142	YQZAEZAYUUDABM-INIZCTEOSA-N	301.434	3.371	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2ccccc2F)c1	728983779	GEAQYHCHFFGTMT-LBPRGKRZSA-N	317.360	3.350	10	20	DGCD	
CCN(Cc1nnc(C2CC2)s1)c1ccc(OC)c(OC)c1	828162777	NNHMNHUQIVOROA-UHFFFAOYSA-N	319.430	3.459	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)c1cnn(C)c1	839622787	VATGMAQRWNKMDN-CQSZACIVSA-N	315.417	3.058	10	20	DGCD	
Cc1cnc(NCc2ccc(N(C)C)cc2C(F)(F)F)nc1	834478593	LYIGLRHJXLFHTA-UHFFFAOYSA-N	310.323	3.482	10	20	DGCD	
COc1cc(CN2CC(C)(C)[C@@H]2c2nccn2C)c(O)cc1C	840111818	ZKELPXYMZOGHKF-INIZCTEOSA-N	315.417	3.026	10	20	DGCD	
CCCCCN(CCCCC)C(=O)C(=O)Nc1ccc(N)cc1	841010738	SJRNGNHEQBHDFU-UHFFFAOYSA-N	319.449	3.416	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cccc(C3CC3)c2)cc1	848395125	YPHZJTOOAVESHP-IBGZPJMESA-N	323.440	3.060	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](C)C[C@H](O)c2ccco2)c1O	846151401	XTDRSYGKEYJPLL-DYEKYZERSA-N	305.374	3.157	10	20	DGCD	
O=C(NCCCSc1ccccc1)NCc1ccccc1O	748461347	WCEKNOMUNSQBGW-UHFFFAOYSA-N	316.426	3.374	10	20	DGCD	
CO[C@@H](CC(C)C)CN(C)Cc1ccc(N2CCOCC2)cc1	842149178	YDENECILUBGHHU-IBGZPJMESA-N	320.477	3.016	10	20	DGCD	
COC(=O)C[C@@H]1CC[C@@H](NCc2cc(Cl)ccc2O)[C@@H]1C	846055203	JWEXOJPMPAUULT-UHIISALHSA-N	311.809	3.113	10	20	DGCD	
C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1	841301408	NYKIPSDVMQPWHV-KSSFIOAISA-N	324.428	3.226	10	20	DGCD	
Cc1ccc(CN(C)c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])o1	920961134	UYAFUSYEZNZGRH-YVMONPNESA-N	316.313	3.230	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H]2CCN3CCCC[C@H]23)c2c(O)ccc(F)c21	756431630	OHSBVKYHPKXZSW-UQOMUDLDSA-N	304.409	3.296	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2)c(O)c1C	756503403	NIAHEUICACEJGB-STQMWFEESA-N	316.367	3.296	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNC[C@H]2C[C@@H](O)C2)cc1	858294843	PIUJGPJIWVPRDH-WOVMCDHWSA-N	316.470	3.245	10	20	DGCD	
C[C@H](NC[C@@H]1CCCN1CC(F)F)c1cc(Cl)ccc1O	858479396	QYYRKFVJLJCOMW-JQWIXIFHSA-N	318.795	3.426	10	20	DGCD	
CN(C)c1ccc(/C=C/CN2CCC(CCC(=O)O)CC2)cc1	854240967	GEWPGVGISCSLNM-ONEGZZNKSA-N	316.445	3.343	10	20	DGCD	
COc1ccc(N2CCC(N[C@H](C)Cc3ccco3)CC2)cc1	764774809	RGFBRYXXUBWQTJ-OAHLLOKOSA-N	314.429	3.478	10	20	DGCD	
C[C@H](N[C@H]1CCN(C)C1)c1ccc(N2CCCCCC2)cc1	765769485	KUJGFBGWBMYCOX-WMZOPIPTSA-N	301.478	3.422	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C(C)=O)c2)c1	767957418	HNIZCCGZAUMRLJ-NSHDSACASA-N	313.353	3.094	10	20	DGCD	
Cc1ccc(CNCC[C@H](C)NC(=O)OC(C)(C)C)c(O)c1	877023318	NBAQNYQSQVAFTC-ZDUSSCGKSA-N	308.422	3.094	10	20	DGCD	
CC[C@@H](NCCCc1cnn(C)c1)c1cc(Cl)ccc1O	775501859	SQLAYFZEOZCOBL-OAHLLOKOSA-N	307.825	3.453	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1cccs1)C1CC1	779492071	BJYREFZSGNLDEN-IOMDMTNGSA-N	315.394	3.440	10	20	DGCD	
N[C@H]1C[C@H](CN[C@H](CCc2ccccc2)c2ccccc2O)C1	873256794	OJOUVRNPXAJZSF-ZHALLVOQSA-N	310.441	3.393	10	20	DGCD	
Oc1cccc(Cl)c1CN1CC[C@@](O)(c2ccc(F)cc2)C1	777438914	SLQFWAAJXYNHMC-KRWDZBQOSA-N	321.779	3.278	10	20	DGCD	
CCC1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)C1	888586092	VIXQTEMCAHDKFE-UHFFFAOYSA-N	321.384	3.270	10	20	DGCD	
CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccc(C)cc1C	775805514	DAXAUZCDWRQGHP-VQHVLOKHSA-N	311.385	3.168	10	20	DGCD	
COc1cc(C)ccc1C(=O)NCc1ccc(N(C)C)cc1C	780718965	BIIGMRHDVBGLRB-UHFFFAOYSA-N	312.413	3.308	10	20	DGCD	
COc1ccc(CN[C@H]2CCCC(F)(F)C2)c(O)c1OC	893115052	ZKXOOSOTBQEBAE-NSHDSACASA-N	301.333	3.077	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC(OC[C@@H]3CCOC3)CC2)c1	784000854	IZEBYXUUIQRWIX-MRXNPFEDSA-N	319.445	3.027	10	20	DGCD	
CC/C(C)=C(/C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	780966308	ZFFUWPKPYARPES-YPKPFQOOSA-N	320.408	3.229	10	20	DGCD	
COc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)c(O)c1OC	891404785	OAKKMWHOTTZMHQ-CQSZACIVSA-N	302.374	3.075	10	20	DGCD	
CCC[C@@](C)(CC)C(=O)NCCNCc1ccc(OC)c(C)c1	1135859156	LTLJLUUBZNRUIN-LJQANCHMSA-N	320.477	3.426	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCC[C@H]2C)c1	798510120	KNBMVUFJFWQBLM-FRRDWIJNSA-N	306.406	3.197	10	20	DGCD	
CN(CCCN(C)C(=O)OC(C)(C)C)Cc1ccccc1O	797972983	JJCFZEURKDIRTI-UHFFFAOYSA-N	308.422	3.081	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H](C)CC(=O)OC(C)(C)C)c1O	1329674533	FQFOLONSAJZGCX-NWDGAFQWSA-N	309.406	3.172	10	20	DGCD	
COCC(C)(C)N(C)Cc1c(O)cccc1Br	707165980	MZPVAUQVWNZXAC-UHFFFAOYSA-N	302.212	3.012	10	20	DGCD	
CN(Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(N)cc1	1351678699	DYJRFABZLPYZNO-UHFFFAOYSA-N	309.413	3.141	10	20	DGCD	
Cc1ncccc1/C=C/C(=O)N1CCCc2c(C(=O)O)cccc21	1610566743	XDCONPGZQBDUMB-MDZDMXLPSA-N	322.364	3.081	10	20	DGCD	
CCN1CCCc2cc(CNC[C@H](C)CCC(=O)O)ccc21	1776876154	YIQJTNJKFHYTDB-CQSZACIVSA-N	304.434	3.050	10	20	DGCD	
O=C(O)C[C@H](NCc1ccc2c(c1)CCO2)C1CCCCC1	1777629281	LBIHFISYEVOMMG-INIZCTEOSA-N	303.402	3.135	10	20	DGCD	
Oc1ccccc1CNC[C@H](O)c1cccc(C(F)(F)F)c1	14966718	SSTXMWYCLCWGFL-HNNXBMFYSA-N	311.303	3.234	10	20	DGCD	
CCOCC(C)(C)CNCc1c(O)cccc1Br	706830448	XCVWCHWBOZYNPM-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
COc1cccc(CNC(=O)Nc2cc(C)ccc2F)c1O	104977262	SGESVKBRODYMAZ-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](C)O[C@H](C)C1	54056246	BYSIXLMBFKLPCL-OKILXGFUSA-N	318.442	3.405	10	20	DGCD	
COc1ccc(O)c(CNC(=O)CCc2ccccc2Cl)c1	114541161	RWKKXEVQWNKDCI-UHFFFAOYSA-N	319.788	3.303	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)C3CCCCC3)C2)cc1	62574831	VTWKQTAIQPFODN-HNNXBMFYSA-N	316.445	3.218	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1	114542307	PXIABFHFVRSOAM-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N1CCC(C)CC1	174372998	OJUVKWYGHIBPDQ-INIZCTEOSA-N	318.461	3.251	10	20	DGCD	
COc1ccc(N(C)C[C@H](O)c2ccc(F)cc2F)cc1OC	67984665	QKEOTHZJTBDLNA-HNNXBMFYSA-N	323.339	3.152	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(F)cc2Cl)c1O	68488565	VTYFHEVAXUKQIR-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CSCCCN(C)Cc1cc(Cl)cc(C(C)=O)c1O	306059184	YLKGCECCQUHTRN-UHFFFAOYSA-N	301.839	3.433	10	20	DGCD	
C[C@@H](NCCC(=O)Nc1ccccc1)c1ccc(F)cc1O	185443423	RPAGTPKFFQKRAK-GFCCVEGCSA-N	302.349	3.211	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCSC2(CCOCC2)C1	186488953	XFYSVHJCWUBNEQ-UHFFFAOYSA-N	313.850	3.144	10	20	DGCD	
C[C@H](NCCCC(=O)N(C)C)c1ccc2ccccc2c1O	185194208	PLGGJHQSXSDJPM-ZDUSSCGKSA-N	300.402	3.064	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(C)C)on1	122124777	RUJQUSVOSJHMEI-UHFFFAOYSA-N	301.390	3.102	10	20	DGCD	
C[C@@](O)(CNCc1cc(F)ccc1O)c1cccc(Cl)c1	184961901	SAEMNYIZVQCGAT-MRXNPFEDSA-N	309.768	3.182	10	20	DGCD	
CC(C)(C)CNC(=O)C(C)(C)NCc1cccc(Cl)c1O	182658207	HKLRJTYEIMMRRX-UHFFFAOYSA-N	312.841	3.076	10	20	DGCD	
c1coc([C@@H](CNCc2ccc3c(c2)CCO3)N2CCCC2)c1	79249360	JENBQDNMPLRKRR-QGZVFWFLSA-N	312.413	3.141	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1ccnn1C(C)(C)C	186466358	MOVSLWIOKLCKPN-UHFFFAOYSA-N	302.378	3.008	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1CCCc2cc(F)cc(F)c21	77653065	NYCYIBAMVLRBOV-AATRIKPKSA-N	300.308	3.352	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N1CCCCCC1	76074500	RQCNLKNOWOWRPU-INIZCTEOSA-N	318.461	3.395	10	20	DGCD	
Cc1ccc(O)c(CN2CCSC[C@@H]2c2nccs2)c1	186662016	QQZYXUZHHAITLS-CYBMUJFWSA-N	306.456	3.447	10	20	DGCD	
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1O	193079818	IFJKWTHOCYDOEK-YPMHNXCESA-N	315.344	3.255	10	20	DGCD	
CC[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(OC)cc1	236957547	ONZCPBCJCCTCNF-HNNXBMFYSA-N	315.369	3.370	10	20	DGCD	
c1cc(N2CCCCC2)ccc1CN1CCOCC12CCC2	93509882	YFPYVCWVMFRGKF-UHFFFAOYSA-N	300.446	3.432	10	20	DGCD	
C[C@H](N[C@H](C)COCC(F)(F)F)c1ccc(N(C)C)cc1	269070735	ZZHMNKSJZJXTKF-NEPJUHHUSA-N	304.356	3.371	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(-c2nc(C[S@@](C)=O)no2)cc1	273832950	HJCLBOYVQCHGRA-JOCHJYFZSA-N	315.398	3.023	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=O)C3)cc1	275217704	KLOOCORPERKOQK-ROUUACIJSA-N	322.408	3.430	10	20	DGCD	
COc1cccc(CN[C@H](C)[C@@H](OC)c2ccc(F)cc2)c1O	271331568	FQGDJBSWUDWAKD-KZULUSFZSA-N	319.376	3.406	10	20	DGCD	
CC1=C(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	281663960	NRWCIMBNIVALOI-UHFFFAOYSA-N	311.429	3.315	10	20	DGCD	
OC[C@]1(CNCc2c(O)cccc2Cl)C[C@@H]1c1ccccc1	289957933	VFSJBWPNBOHPRS-CRAIPNDOSA-N	317.816	3.301	10	20	DGCD	
CCCOc1ccc(CNCc2oc(CC)nc2C)c(O)c1	291884632	XTSCRUCLPLRSIZ-UHFFFAOYSA-N	304.390	3.330	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)C1(O)CCCCC1	813685118	CAGOXPBQSRDRTN-UHFFFAOYSA-N	318.200	3.010	10	20	DGCD	
COC[C@@H](C)[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O	812575536	HLZFWLNVGCQVDX-BDAKNGLRSA-N	320.216	3.234	10	20	DGCD	
COc1ccsc1[C@@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817943863	WEHKLBRCWVTNDS-DOMZBBRYSA-N	319.474	3.173	10	20	DGCD	
Cc1cc(CN2CC[C@@H](CN(C)CC3CC3)C2)ccc1N(C)C	815056031	YWJPGRKYZVFEPA-IBGZPJMESA-N	315.505	3.225	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@H]1CN1CCCC1	816497899	YJOPLQQNURNTIY-ZDUSSCGKSA-N	312.816	3.245	10	20	DGCD	
CC[C@H]1CCCC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	819165234	RAVNKIZFHNMDST-DZGCQCFKSA-N	316.401	3.125	10	20	DGCD	
CC(=C\c1ccccc1)/C=C1\C(=O)NN(c2ccccc2)C1=O	728696739	BPZSSABPRQNAQV-SWZGKVDCSA-N	304.349	3.094	10	20	DGCD	
CC(C)N(CCNCc1cc(Cl)c(F)cc1O)C(C)C	816528686	NKXCMZXPWCXCCP-UHFFFAOYSA-N	302.821	3.393	10	20	DGCD	
CC[C@H]1C[C@@H](NC2CCN(c3ccc(OC)cc3)CC2)CCO1	823757192	IPGZCAOENTUNEK-WMZOPIPTSA-N	318.461	3.211	10	20	DGCD	
Oc1ccc(F)cc1CN1CCOC[C@@H]1c1ccc(F)cc1	825046084	PUNXNEGBDYUKPQ-MRXNPFEDSA-N	305.324	3.244	10	20	DGCD	
CN(C)c1ccc(CNC[C@H](O)c2cccc(Cl)c2)cc1F	733325139	ABCJUBZBQPUADB-KRWDZBQOSA-N	322.811	3.368	10	20	DGCD	
Cc1cnn(-c2ccc(NC(=O)c3cc(O)cs3)cc2F)c1	736687672	CRZACWSYMGSHHV-UHFFFAOYSA-N	317.345	3.339	10	20	DGCD	
C[C@]1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC=CCC1	838486769	RZHVURJYVKLTSL-IBGZPJMESA-N	311.429	3.361	10	20	DGCD	
C[C@@H]1CC[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	839146316	CIEYUINARLTKTA-OCCSQVGLSA-N	310.388	3.080	10	20	DGCD	
CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(CC)CC	736004372	UCRKMZOICVJBMV-GOSISDBHSA-N	319.493	3.269	10	20	DGCD	
CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccc(O)cc1O	910945386	UONPYDAMOOAOFJ-AWEZNQCLSA-N	313.397	3.291	10	20	DGCD	
Nc1ccc(NC(=O)NC2CCC(N3CCCCC3)CC2)cc1	841299735	JFQXRJCAIWDVPG-UHFFFAOYSA-N	316.449	3.187	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCc2ccnn2C)cc1	747273146	SBUSPAODLNCLDW-UHFFFAOYSA-N	309.369	3.185	10	20	DGCD	
NC[C@H]1CCCC[C@H]1NCc1ccc(N2CCCCC2)cc1	841030947	PYDDWVPPLYRDNJ-IEBWSBKVSA-N	301.478	3.284	10	20	DGCD	
C[C@@H](CNCc1c(O)ccc(Cl)c1F)C(=O)OC(C)(C)C	848566278	UCMIFUKBCAYPAZ-VIFPVBQESA-N	317.788	3.252	10	20	DGCD	
Nc1ccc(CCNC(=O)NCC2(c3ccccc3)CCC2)cc1	841673114	GHJJPIPOCNWYLI-UHFFFAOYSA-N	323.440	3.232	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2C(=O)N(C)C)cc1F	841867611	OLNKNMTYKSAUHF-UHFFFAOYSA-N	316.376	3.173	10	20	DGCD	
CC1CCN([C@H](CNCc2ccc3c(c2)CCO3)C(C)C)CC1	917394710	PGOCVPSQBAGRLA-LJQANCHMSA-N	316.489	3.468	10	20	DGCD	
CC[C@H](C)C[C@@H](CO)NC1CCN(c2ccc(OC)cc2)CC1	842756572	NYKWBPZPXGLLKE-RDJZCZTQSA-N	320.477	3.051	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H]3CO[C@@H](C)C3)c2C)c1	844104406	DKGJDMDBZCHWHW-HOCLYGCPSA-N	312.413	3.310	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC23CCCC3)cc1	844854808	NPLJVPRLIRMMDN-QGZVFWFLSA-N	316.445	3.170	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ccc(F)nc1	840975372	GNRJIMHYACMWSP-AWEZNQCLSA-N	301.409	3.316	10	20	DGCD	
CCC[C@H]1[C@H](C)CCCN1C(=O)NCCc1ccc(N)cc1	841955325	ZDMOBVPGWHYGJD-PBHICJAKSA-N	303.450	3.422	10	20	DGCD	
CCc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1O	857548024	APYKDRDLYURTAZ-UHFFFAOYSA-N	305.761	3.244	10	20	DGCD	
CCC[C@@H](O)CCN[C@H](C)c1ccc(Br)cc1O	927014499	CGXVKACOGDICPE-ZYHUDNBSSA-N	316.239	3.356	10	20	DGCD	
COc1ccc(N(C)Cc2nnc(C(F)(F)F)s2)cc1F	851808179	LRUDNWGMSBOGMD-UHFFFAOYSA-N	321.299	3.341	10	20	DGCD	
CCc1ccc(NC(=O)CN(C)c2ccc3c(c2)OCO3)cc1	756654854	ZAHVUSUXFJELIA-UHFFFAOYSA-N	312.369	3.053	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H]2CCCN(CC3CC3)C2)c1O	853239252	CVWNBAXPMOPASN-GOEBONIOSA-N	318.461	3.173	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)c1ccsc1	935949191	UZYGVTYATCANAD-LLVKDONJSA-N	310.415	3.359	10	20	DGCD	
Cc1csc(CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	766909965	KVRVFHKJAQHXCP-ZDUSSCGKSA-N	317.458	3.328	10	20	DGCD	
CC1CCN(c2ccc(CNCc3ccc(O)nc3)cc2)CC1	865456430	NLOFBAFLUZHMCL-UHFFFAOYSA-N	311.429	3.313	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)c(O)c1	763533060	YYADCPKSIFBOFW-PBHICJAKSA-N	307.434	3.474	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CCC2CC2)c1	768969776	QZCAAMUEQJHHRI-NEPJUHHUSA-N	306.406	3.340	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC([C@@H]3CCOC3)CC2)cc1F	862316477	CJXXTRMWFQUBHV-CQSZACIVSA-N	324.415	3.279	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1)Cc1cc(C)ccc1O	768237359	PQCUZOJCXKXRQL-UHFFFAOYSA-N	313.397	3.266	10	20	DGCD	
CCN(C)c1ccc([C@H](C)N[C@H](C)[C@H](O)C(F)(F)F)cc1	866465211	PQIQMOAMOVPCGM-WDMOLILDSA-N	304.356	3.105	10	20	DGCD	
CCOc1ccc(CN2CCc3ccc(OC)cc3C2)c(O)c1	769119565	CVUXWNVZABKEER-UHFFFAOYSA-N	313.397	3.358	10	20	DGCD	
COc1ccc(CNC(=O)NCc2ccccc2O)cc1Cl	765935516	GPXMSHAGKWNSSM-UHFFFAOYSA-N	320.776	3.054	10	20	DGCD	
Cc1cccc2c1C(=O)N[C@H](c1cc(F)c(N(C)C)cc1F)N2	877847826	FGZUXFBTNKMAJC-MRXNPFEDSA-N	317.339	3.193	10	20	DGCD	
Cc1ccncc1CN[C@H](C)c1ccc(N2CCOCC2)cc1	775253969	DPLSAYWPPZVKNX-MRXNPFEDSA-N	311.429	3.077	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)c(O)c1	876939761	KOPRUPGTIZOQKS-CYBMUJFWSA-N	310.397	3.436	10	20	DGCD	
COC(=O)c1ccc(OC)c(CN[C@H](C)c2ccccc2O)c1	879650174	NCZGWCUBFOCYEL-GFCCVEGCSA-N	315.369	3.038	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCCC1CCOCC1	877592232	MKVACXSXJXOZRC-MRXNPFEDSA-N	304.478	3.398	10	20	DGCD	
Cc1nc(C(=O)NCCCSc2nccs2)sc1C	770485206	SAIMSIPFGKNOCD-UHFFFAOYSA-N	313.473	3.129	10	20	DGCD	
Cc1ccc(OCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1	773019327	KOADVTWGPLAOAI-OAHLLOKOSA-N	312.413	3.317	10	20	DGCD	
CC(C)[C@H](NCc1ccc2c(c1)CCO2)[C@@H](O)c1ccccc1	788541968	ZZBXFQWLJRCFJU-PMACEKPBSA-N	311.425	3.469	10	20	DGCD	
C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1	780296707	CFJIBJHGIJKCFJ-GDBMZVCRSA-N	301.434	3.275	10	20	DGCD	
COc1ccc(CN2CC[C@H](C)C3(CCC3)C2)c(O)c1OC	893438334	ZLFXYBUVCJSZGI-ZDUSSCGKSA-N	305.418	3.422	10	20	DGCD	
CCOC(=O)[C@](C)(NCc1cc(F)ccc1O)c1ccccc1	895894677	NYNCTTKIOOGEAD-GOSISDBHSA-N	317.360	3.099	10	20	DGCD	
C[C@@H](NC(=O)C(C)(C)C1CCOCC1)c1ccc(N(C)C)cc1	795271119	QYNRDFRCKAXLSD-CQSZACIVSA-N	318.461	3.383	10	20	DGCD	
C[C@@H](NC[C@H]1N(C)CCCC1(C)C)c1cc([N+](=O)[O-])ccc1O	790497201	LTWBPAAHHLAYCF-MLGOLLRUSA-N	321.421	3.071	10	20	DGCD	
Cc1cncc(CCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	794434385	NGXHMOBHTVXYPW-OAHLLOKOSA-N	311.429	3.266	10	20	DGCD	
Cc1cc(CNc2nccc(C(=O)O)n2)c(C)n1-c1ccccc1	1600212497	QDVNKKJIMYXZCM-UHFFFAOYSA-N	322.368	3.194	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C(=O)O)c2ccccc2F)cc1C	1600285888	HYXZGYFVMRCMAF-MRXNPFEDSA-N	303.333	3.064	10	20	DGCD	
CC[C@@H](C)CC(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1	1752627527	JSTGPLVIRIPAHZ-KBRIMQKVSA-N	318.461	3.177	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cnn(C(C)(C)C)c1	155199230	OURNBXKEJOLQBQ-UHFFFAOYSA-N	300.450	3.336	10	20	DGCD	
CCOc1ccc(N(C)Cc2csc(NC(C)=O)n2)cc1	157311362	NYPVJQCRWBAMJN-UHFFFAOYSA-N	305.403	3.137	10	20	DGCD	
Cc1ccc(NC(=O)CN(C)Cc2ccc(N(C)C)cc2)cc1	7360922	FKJCVUGDIZWKRO-UHFFFAOYSA-N	311.429	3.132	10	20	DGCD	
COc1cccc(CNC(=O)Nc2c(F)cccc2F)c1O	104973473	OLFAGXSOOIESRI-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(SC)o2)c1	112393758	SXPGPKIYWPWMPU-VIFPVBQESA-N	307.371	3.207	10	20	DGCD	
CC[C@@H](C)NC(=O)CCN[C@@H](C)c1ccc(N(C)CC)cc1	178715023	QHYZOBWHJOTJSM-CABCVRRESA-N	305.466	3.098	10	20	DGCD	
CN1C(=O)/C(=C\c2cccc(OC(F)(F)F)c2)SC1=S	171194532	LVFSWWNIBPCNOM-RMKNXTFCSA-N	319.329	3.416	10	20	DGCD	
CN(c1ccc(CNC(=O)c2cc[nH]n2)cc1)C1CCCCC1	67299546	ZPVQEPLOKZZFOV-UHFFFAOYSA-N	312.417	3.109	10	20	DGCD	
C[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1	31730301	DNELWIIQFSTEQI-RHSMWYFYSA-N	303.450	3.473	10	20	DGCD	
Cc1cccc(CNCc2cc(COC(C)(C)C)on2)c1O	188657768	ARTKMCGETXZHGM-UHFFFAOYSA-N	304.390	3.294	10	20	DGCD	
CC[C@@H](C)CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1	127980728	TUTZAOXOSUJHKA-OAHLLOKOSA-N	301.434	3.250	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(C)cc1O	185350738	DDUVKJMWFZIBQT-GFCCVEGCSA-N	316.357	3.468	10	20	DGCD	
COc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(C)cc1O)C2	185334766	BHRHPJRVPOOGAD-ZFWWWQNUSA-N	313.397	3.364	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](CCN(C)C)C(C)(C)C)c1	185471884	KFZVRNIXLPBTBC-GUYCJALGSA-N	308.466	3.418	10	20	DGCD	
O=C(NCCC1CC1)N(Cc1ccco1)Cc1ccccc1O	74819755	ZLEZEZAYYQYBLH-UHFFFAOYSA-N	314.385	3.497	10	20	DGCD	
C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cc2c(cc1O)CCCC2	273383981	IYNAUPNGFKGXTI-ORAYPTAESA-N	324.424	3.148	10	20	DGCD	
C[C@@H](Cn1ccnc1)N[C@H](C)c1cc(Br)ccc1O	273372594	GKCZNCZUYVNANL-WDEREUQCSA-N	324.222	3.091	10	20	DGCD	
CCCOc1ccc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4OC)c(O)c1	289811658	SWJZXXKJFWFKNB-DFXHGPDCSA-N	317.429	3.036	10	20	DGCD	
COc1ccc(N(C)Cc2nnc(C(C)C)s2)c(OC)c1	295030867	VQOZAIIAMDWGLG-UHFFFAOYSA-N	307.419	3.315	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3CCOC4(CCC4)C3)ccc21	296403830	LPYPTJSGLTYQHI-QGZVFWFLSA-N	300.446	3.260	10	20	DGCD	
CCCCN(CCCN1CCCC1=O)Cc1ccccc1O	801595583	OTVKYQITQBHWQL-UHFFFAOYSA-N	304.434	3.007	10	20	DGCD	
C[C@H](N[C@@H](CN)C1CC1)c1ccc(N2CCCCC2)c(F)c1	817960337	MEDDDHKQAIFTFB-GUYCJALGSA-N	305.441	3.204	10	20	DGCD	
CCOC(=O)c1csc(CN(C)c2ccc(OC)c(F)c2)n1	814627335	WSUBXDCFUHLXIL-UHFFFAOYSA-N	324.377	3.104	10	20	DGCD	
CN(C)c1ccc(CN2CCCN3c4ccccc4C[C@H]3C2)cc1	810051605	MCHTZLGWWJPNJA-FQEVSTJZSA-N	321.468	3.390	10	20	DGCD	
O[C@@H](CNCc1ccc2c(c1)CCO2)c1ccc(F)cc1Cl	818996950	NGLVYNHMAXDENR-INIZCTEOSA-N	321.779	3.237	10	20	DGCD	
C[C@@H](NCCc1ccc(N)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2	817956408	YJFBIHYYNRGBKH-CYBMUJFWSA-N	323.440	3.392	10	20	DGCD	
CCc1noc(NCc2cc(C)cc(Br)c2O)n1	814255664	ZMTGXUYRWYHDTH-UHFFFAOYSA-N	312.167	3.021	10	20	DGCD	
COc1ccc(O)c(CNC(=O)/C(F)=C\C2CCCCC2)c1	825840150	QQFGZKQQEUAKJE-OQLLNIDSSA-N	307.365	3.451	10	20	DGCD	
CCCCN1CCCC[C@H]1CNCc1ccc2c(c1)CCO2	729682746	GIQJWAWIEXTYOU-SFHVURJKSA-N	302.462	3.366	10	20	DGCD	
O=C(OCc1cc2ccccc2nc1O)c1cc(O)cs1	733496989	OTPSQCLESKVMNA-UHFFFAOYSA-N	301.323	3.065	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](C)C[C@H]2C(=O)O)cc1	902015886	JPGRTQXODBQAEB-PBHICJAKSA-N	304.434	3.218	10	20	DGCD	
CC(C)C[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	588407820	ZNJAPRMTMOGTQX-DDJMYBDESA-N	303.402	3.396	10	20	DGCD	
CCC(C)(C)OCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	836406082	PRBXCSCSOUFDPC-CQSZACIVSA-N	321.465	3.318	10	20	DGCD	
C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	733806638	GMTDNZZYXNRQRA-ZIAGYGMSSA-N	322.474	3.180	10	20	DGCD	
CCN1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S	916134665	MOMRNNJARUZGDG-UKTHLTGXSA-N	300.408	3.456	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)Cc1c(C)noc1C	840933601	IJDHYUWMRFIJRB-CYBMUJFWSA-N	301.434	3.387	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)C1CC1	840243895	QGBPMJXENKBUET-ZIAGYGMSSA-N	303.450	3.090	10	20	DGCD	
C[C@H](CCc1ccsc1)NC[C@H](N)c1ccc(N(C)C)cc1	841046137	WWMNZHAFQCMIFE-KDOFPFPSSA-N	317.502	3.425	10	20	DGCD	
CCCCNC(=O)CN(C)c1ccc(-c2nccs2)cc1	846995346	ZWTITMDJFPCFJX-UHFFFAOYSA-N	303.431	3.163	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cc(N)ccc1C	841315704	FFXOFDGLBKDBMR-UHFFFAOYSA-N	312.417	3.273	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H]2CCCN2CC(F)(F)F)cc1C	922708988	OPRFGZFYVIPLLQ-AWEZNQCLSA-N	316.367	3.125	10	20	DGCD	
C[C@@]1(C(=O)O)CCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	756385419	DMOIKIDJWUTQAC-PKOBYXMFSA-N	316.445	3.410	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC(C)(C)C1	753576839	UZDHHDYIFWZXAY-INIZCTEOSA-N	302.462	3.391	10	20	DGCD	
CCOC(=O)c1ccc(NCc2cc(C)c(C)cc2O)cn1	758450107	TUYGBJKRQJYOLZ-UHFFFAOYSA-N	300.358	3.193	10	20	DGCD	
COc1ccc(CCN(C)c2ccc(OC)cc2OC)cc1	752123660	VJPDOENHTCLHBK-UHFFFAOYSA-N	301.386	3.391	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc(F)c(F)c1	759596941	WUYQXZNXUNSDCB-ZZXKWVIFSA-N	306.264	3.133	10	20	DGCD	
C[C@H](NCC(=O)NC1CCCC1)c1ccc2ccccc2c1O	756703575	ADQRWTZKDGVFPP-ZDUSSCGKSA-N	312.413	3.255	10	20	DGCD	
CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	756985567	HLGJUPLCTBHZRH-ZFWWWQNUSA-N	307.413	3.270	10	20	DGCD	
CC(C)C[C@H](CNCc1c(O)ccc(Cl)c1F)CC(=O)O	756306733	NAXRENKUQMDTRQ-JTQLQIEISA-N	317.788	3.411	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](O)CNCc1c(O)ccc(Cl)c1F	850412448	XYYUFJZNHHOSAB-ZBEGNZNMSA-N	323.795	3.439	10	20	DGCD	
CC(C)[C@@H](O)C(C)(C)CN[C@H](C)c1cc(F)cc(F)c1O	756768978	CGQRPFFYBUEEQF-MEBBXXQBSA-N	301.377	3.364	10	20	DGCD	
Oc1cc2c(cc1CN(C1CCCCC1)C1CC1)[C@H](O)CO2	768439230	JBLKKOHSCPDWGZ-QGZVFWFLSA-N	303.402	3.115	10	20	DGCD	
Cc1ccc(OCCC(=O)NCc2cc(C)ccc2O)c(C)c1	862759811	LMZHBWCZOFRDCB-UHFFFAOYSA-N	313.397	3.403	10	20	DGCD	
CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(OC)cc1	779502327	XZLSOBAEKSOAFR-VZUCSPMQSA-N	313.353	3.173	10	20	DGCD	
COc1ccc(COCCNCc2ccc(C)cc2O)cc1	877133542	KLYIMWNOKOJWRC-UHFFFAOYSA-N	301.386	3.016	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)c1	775659598	YVFUUVRNJGGDNQ-HLLBOEOZSA-N	318.461	3.238	10	20	DGCD	
C[C@H](NC/C(Cl)=C/Cl)c1ccc(N2CCOCC2)cc1	775255050	NTGJQJOIHITBJK-GVIGZQTCSA-N	315.244	3.493	10	20	DGCD	
CC[C@H](NCc1c(O)cccc1Br)[C@H]1CCCO1	1118858641	PDYCJPNZVARDMK-GXTWGEPZSA-N	314.223	3.202	10	20	DGCD	
CC[C@@H](NC[C@H]1C[C@H](N)C1)c1cc(Cl)cc(Cl)c1O	873259001	XKNITHVNWTYBON-ZDSQKVDBSA-N	303.233	3.477	10	20	DGCD	
O=C1C[C@]2(CCN(Cc3ccccc3O)C2)Oc2ccccc21	877590025	WHGMTVMYCQCOJU-IBGZPJMESA-N	309.365	3.002	10	20	DGCD	
CC[C@H](N[C@@H](C)CO[C@@H]1CCOC1)c1cc(Cl)ccc1O	775512322	JCQFWLNJFVXJMZ-LNSITVRQSA-N	313.825	3.280	10	20	DGCD	
O=C(c1cc(O)cs1)N1Cc2ccccc2N2CCC[C@@H]2C1	882810099	MFIAHFZOGPCTNS-CYBMUJFWSA-N	314.410	3.079	10	20	DGCD	
CO[C@@H](C)c1nc(CNCc2cc(F)cc(F)c2O)cs1	883032426	IUFXHSSSQKEKGZ-QMMMGPOBSA-N	314.357	3.124	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cc(C(F)(F)F)n[nH]1	799729897	ZFRSWVHMOAUXMJ-UHFFFAOYSA-N	312.339	3.127	10	20	DGCD	
COc1ccc(CNC(=O)C2(c3cccc(C)c3)CC2)c(O)c1	794370970	TWVRAYIDRHTMPX-UHFFFAOYSA-N	311.381	3.057	10	20	DGCD	
C[S@](=O)Cc1ccc(CNCc2c(O)cccc2Cl)cc1	796527282	XSMSGESTKKFABW-NRFANRHFSA-N	323.845	3.214	10	20	DGCD	
CC[C@@H](C)CC(=O)NCCCNCc1ccc(OC)c(C)c1	1157147187	GVSDMHJPPVSPOO-CQSZACIVSA-N	306.450	3.036	10	20	DGCD	
CCC(CC)(CC(=O)OC)NCc1ccc(N2CCCC2)cc1	1322324636	GTQDFRUAQRZOOZ-UHFFFAOYSA-N	318.461	3.498	10	20	DGCD	
CC(C)(C)C[C@@H](O)CNCc1ccc(Br)cc1O	691489907	TVJNHXOFHMCEJB-GFCCVEGCSA-N	316.239	3.041	10	20	DGCD	
CO[C@H](CN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21)C(F)(F)F	1254729759	LYSIGILZGIIIJR-HOSYDEDBSA-N	303.324	3.416	10	20	DGCD	
C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1ccc(N)cc1	1346740235	ZCGDLHZBUFKHHC-QAPCUYQASA-N	323.440	3.432	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCCCc1cccc(O)c1	1346420251	CBBHFZIFHJJATM-UHFFFAOYSA-N	313.397	3.469	10	20	DGCD	
CSCC1(CCN[C@H](C)c2cc(C(=O)O)ccc2O)CC1	1607393098	HKCHFRACINKFEU-LLVKDONJSA-N	309.431	3.274	10	20	DGCD	
Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1610574814	HZFBHKFJSAUEDR-ZJUUUORDSA-N	318.373	3.150	10	20	DGCD	
Cc1ncccc1/C=C\C(=O)N1CC[C@@H](C(=O)O)c2ccccc21	1594471238	UPKSZGDZLCGCFS-HLRDLLSLSA-N	322.364	3.008	10	20	DGCD	
CC(C)(C)c1csc(CNCc2ccc(C(=O)O)cc2O)n1	1776280223	GGSGDEMRNXEXHR-UHFFFAOYSA-N	320.414	3.134	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@@H]2C(C)(C)C(=O)O)cc1	1776855907	IUCZKIFNWDLCHD-MRXNPFEDSA-N	304.434	3.218	10	20	DGCD	
CN(Cc1conc1C1CCC1)c1ccc(OCC(=O)O)cc1	1777079750	OLJCDLPYYOPYKJ-UHFFFAOYSA-N	316.357	3.042	10	20	DGCD	
CCN(CC(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1	155671188	SMARKQSFYUCNMX-UHFFFAOYSA-N	301.434	3.250	10	20	DGCD	
C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]1CN	252101689	GJHIXPPGJTXDGU-ZANVPECISA-N	303.233	3.258	10	20	DGCD	
Oc1c(Br)cccc1CN[C@@H]1C[C@H]1C(F)(F)F	865753693	PKYXYKYHLXRPOB-VXNVDRBHSA-N	310.113	3.195	10	20	DGCD	
CCCCC[C@@H](C)NC(=O)CN(C)c1ccc(OC)c(OC)c1	68300969	IDCAPPJGTUEIRY-CQSZACIVSA-N	322.449	3.225	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1Cl	78579261	XMRVUUMIFUWUOX-UHFFFAOYSA-N	317.820	3.463	10	20	DGCD	
CCCCN(C)C(=O)C1CCN(Cc2cc(C)ccc2O)CC1	92145893	DDVYGMIHHCDVBQ-UHFFFAOYSA-N	318.461	3.171	10	20	DGCD	
Cc1cccc(C)c1NC(=O)CNCc1c(O)cccc1Cl	113313569	BIRGULOBCVQHOC-UHFFFAOYSA-N	318.804	3.391	10	20	DGCD	
Cc1cc(C(=O)Nc2cccc(O)c2)c(C)n1-c1ccccn1	133741917	XHCSKTJVEYVMJT-UHFFFAOYSA-N	307.353	3.447	10	20	DGCD	
O=C(/C=C/c1ccc(Cl)s1)NCCc1ccc(O)c(O)c1	179685770	ZKVLHKPEDNEBJX-ZZXKWVIFSA-N	323.801	3.185	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@]2(CCc3ccccc32)C1	180194589	PALFOLYLOJBKEL-LJQANCHMSA-N	313.372	3.205	10	20	DGCD	
Cc1ccc(C(=O)Nc2cc(C3CCCC3)nn2C)c(O)c1O	184077823	JXUYZJPHOJTHBT-UHFFFAOYSA-N	315.373	3.050	10	20	DGCD	
COc1ccc(N(Cc2ccccc2)C[C@@H](O)CSC)cc1	187949624	SIPDETWCNXLZEX-QGZVFWFLSA-N	317.454	3.426	10	20	DGCD	
C[C@H](CNC(=O)OC(C)(C)C)NCc1c(O)cccc1Cl	227690921	JFQNOGBZCHNVRQ-SNVBAGLBSA-N	314.813	3.048	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C)[C@@H](O)c2cccc(F)c2)cc1C	267251118	ZLEKLLVGRZDITA-FZKQIMNGSA-N	303.377	3.360	10	20	DGCD	
C[C@@H](C(=O)O)[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1	277111751	AMEQYAAGHVEIRD-ACJLOTCBSA-N	311.381	3.173	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CC[C@H]1CCCO1	282378662	CORLXKPZGTWDHX-MRXNPFEDSA-N	305.418	3.480	10	20	DGCD	
COc1cccc([C@H](O)CN[C@H](C)c2c(C)cc(C)cc2O)c1	284162464	PVMDTZDBAOEMAA-RDTXWAMCSA-N	315.413	3.402	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C1CCC1)C1CCC1	285896623	UQFXTCXSDUMJOY-LBPRGKRZSA-N	317.429	3.361	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O	289721576	JRAFFRCNDZSJDC-RDJZCZTQSA-N	321.392	3.123	10	20	DGCD	
Cc1cc(O)c(CN(Cc2cccc(C(N)=O)c2)C2CC2)cc1C	294895344	WUIQMTUPRCUXSF-UHFFFAOYSA-N	324.424	3.273	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H]2CCN(C(C)C)C2)cc1	314965852	VKAHSVLNPXNYOD-SFHVURJKSA-N	303.494	3.353	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@@H]2CCCSC2)c1O	384084577	APYLIBMWTFSAEP-JTQLQIEISA-N	301.839	3.287	10	20	DGCD	
CC[C@H]1CCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	386696470	MKCYITYKMPKTMG-WMADIVHISA-N	304.346	3.319	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H](CO)Cc1ccccc1	391549290	RZZMOPOJTCGOSW-UAGQMJEPSA-N	311.425	3.442	10	20	DGCD	
Cc1csc(CNCc2ccc(N3CCOCC3)cc2)c1	393292401	AIAJDFDEQYSYLP-UHFFFAOYSA-N	302.443	3.183	10	20	DGCD	
Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	731912612	UWBAHRFFWBWDFJ-LLVKDONJSA-N	319.382	3.255	10	20	DGCD	
COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(C)c1	741931633	IMBWIRSLMPTLQP-UHFFFAOYSA-N	312.413	3.308	10	20	DGCD	
CC[C@]1(C)CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	743814045	QBHXDBCXFXNKML-GOSISDBHSA-N	303.450	3.474	10	20	DGCD	
C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C	746718477	JBVXVWWINDTGSJ-YOEHRIQHSA-N	315.461	3.447	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1cc(Cl)ccc1O	756503963	RHWZAYAHJMMYFG-MWLCHTKSSA-N	322.758	3.333	10	20	DGCD	
C[C@@H](NCCNc1ccccn1)c1cc2c(cc1O)CCCC2	756613153	ZZDLDLNIDNCEEN-CQSZACIVSA-N	311.429	3.429	10	20	DGCD	
COC[C@H](Cc1ccccc1)N[C@@H](C)c1cc(F)ccc1O	756638637	VKEOMNGQKBFDFL-BBRMVZONSA-N	303.377	3.440	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2cnccc2C)c1	756675957	JHBFXPRCHGSITI-OLZOCXBDSA-N	314.385	3.294	10	20	DGCD	
C[C@@H]1C[C@H](N[C@@H](CCO)c2ccco2)c2c(O)ccc(F)c21	769412772	ISTBOFFZSXGPHL-WXHSDQCUSA-N	305.349	3.386	10	20	DGCD	
CCOc1ccc(CN2CCCC3(CCOCC3)C2)c(O)c1	769447618	YVGOBFDTGBMLSJ-UHFFFAOYSA-N	305.418	3.184	10	20	DGCD	
CCCCOCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773215300	PFNOZQXPSYUOCR-OAHLLOKOSA-N	321.465	3.320	10	20	DGCD	
CSCCCNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1	774252892	DLCONWLMHATTQW-LBPRGKRZSA-N	311.520	3.031	10	20	DGCD	
CC[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cc(Cl)ccc1O	775487700	NVFQUCUOSGHKMQ-GOEBONIOSA-N	318.804	3.313	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(C)nc1OC	777414960	QPFMTOHLGUAWQH-UHFFFAOYSA-N	314.385	3.157	10	20	DGCD	
COc1ccc2c(c1)CCCN(Cc1cc(F)ccc1O)C2	779008903	DMJDBDYRECNZKW-UHFFFAOYSA-N	301.361	3.488	10	20	DGCD	
Cc1ccc(C(=O)Nc2ccccc2-c2cn[nH]c2)c(O)c1O	784477099	WHFWYJCJCOHWCP-UHFFFAOYSA-N	309.325	3.049	10	20	DGCD	
COc1ccc(CNC(=S)Nc2ccc(F)cc2F)c(O)c1	795032111	PLEHMXVNQNALSL-UHFFFAOYSA-N	324.352	3.166	10	20	DGCD	
CON(Cc1ccc(Cl)cc1)C(=O)c1ccc(C)c(O)c1O	795069685	ZAFYUDHHWWCPKY-UHFFFAOYSA-N	321.760	3.263	10	20	DGCD	
C[C@H](NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1cc(F)cc(F)c1O	813874356	AEDKTZBITIOWBN-GUUCOKDPSA-N	311.372	3.262	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCOCC2CCOCC2)c(O)c1	815582558	JKUHPEGTPDRIMO-INIZCTEOSA-N	321.461	3.493	10	20	DGCD	
C[C@H](NC[C@]1(C)CCCNC1)c1cc2c(cc1O)CCCC2	817965670	BQRHIQSZRXCSAI-IFXJQAMLSA-N	302.462	3.311	10	20	DGCD	
CCN[C@H](C)CN[C@@H](C)c1cc(Br)cc(C)c1O	817973495	UNXRLWGOTUYSHZ-MNOVXSKESA-N	315.255	3.112	10	20	DGCD	
Oc1cccc(Cl)c1CN[C@@H]1CCO[C@@H](c2ccncc2)C1	824954478	QQKMFNWHKSQJDR-CXAGYDPISA-N	318.804	3.451	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cccc3c2CCCC3)c1	825841094	ZFGOSRJPLMOLNO-UHFFFAOYSA-N	311.381	3.210	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](CC(C)(C)C)NC	828145025	TXPBEPUHZRUQAX-HNNXBMFYSA-N	306.450	3.155	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H](C)Cc2cnn(C)c2)c1O	834896766	NOCJJTXWPZIOJB-VXGBXAGGSA-N	307.825	3.369	10	20	DGCD	
COc1ccc(CN[C@H](CC(=O)O)Cc2ccccc2)cc1C	841800194	IVMAHHQZXJYDCH-KRWDZBQOSA-N	313.397	3.179	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2CCCc3ccccc32)cc1	844353508	QKAAGGHNAVLQCP-UHFFFAOYSA-N	310.397	3.111	10	20	DGCD	
COc1cccc([C@H](C)NC[C@H](C)c2c(C)noc2C)c1O	846158161	UEOLTCAMNOIGOM-QWRGUYRKSA-N	304.390	3.460	10	20	DGCD	
CC[C@@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O	846204997	DLAOZFHNUAIMKF-XHDPSFHLSA-N	322.836	3.097	10	20	DGCD	
C[C@H](N[C@@H](CO)CCF)c1ccc(N2CCCCC2)c(F)c1	846209565	SINZHQYXOHHPES-DZGCQCFKSA-N	312.404	3.187	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cc(Cl)ccc1O	850503040	TVPLUIFYQZEBLE-SPQIJUHKSA-N	315.866	3.386	10	20	DGCD	
COc1cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c(O)cc1C	853572423	SDCHRPUMBKFPTG-CRAIPNDOSA-N	319.445	3.490	10	20	DGCD	
Cc1cccc(O)c1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1	876810523	ANJPUINYTUSPRM-YJBOKZPZSA-N	300.446	3.149	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCc3cccnc3CC2)c1	877533484	PAFJSEXEQPFUCI-UKRRQHHQSA-N	312.413	3.394	10	20	DGCD	
Cc1cc(N(C)C)ccc1[C@H]1NC(C)(C)C(=O)N1CC(C)(C)C	877856512	DFUZHXMGCJSRMC-INIZCTEOSA-N	317.477	3.316	10	20	DGCD	
C[C@@H](N[C@H](Cn1ccnc1)C(C)(C)C)c1c(O)cccc1F	886509029	XWCOPKKRIAKOCZ-IUODEOHRSA-N	305.397	3.493	10	20	DGCD	
COc1ccc(CNC[C@]2(C)CC2(Cl)Cl)c(O)c1OC	894710760	COAGVOAWHBZSLM-ZDUSSCGKSA-N	320.216	3.083	10	20	DGCD	
OC[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1F	922264363	SIGXRRHOEXXZPT-KRWDZBQOSA-N	319.351	3.113	10	20	DGCD	
CCC(=O)N1CCC[C@@H]([C@H](C)NCc2ccc(OC)c(C)c2)C1	1036321597	CTRBYAHGYISEFU-DOTOQJQBSA-N	318.461	3.130	10	20	DGCD	
O=C(C[C@H]1CCCc2ccccc21)NCc1cccc(O)c1O	1123977601	JIEKTOUEBHAOOG-CQSZACIVSA-N	311.381	3.224	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](C)CC(=O)OC(C)(C)C)c1	1320071581	PYHFYCBSBQWKTB-LBPRGKRZSA-N	309.406	3.001	10	20	DGCD	
COc1cccc(COc2ccc(N(C)C)c(C(=O)O)c2)c1	1599676800	NPBNIVXOWCFVOS-UHFFFAOYSA-N	301.342	3.038	10	20	DGCD	
Cc1ccc(O)c(CNCc2ccc(C(=O)O)c(Cl)c2)c1	1600464400	BIFDQYUJCIZWMW-UHFFFAOYSA-N	305.761	3.342	10	20	DGCD	
C[C@H](C(=O)O)N(Cc1c(O)ccc(Cl)c1F)C1CCC1	1603198972	RIFKECUCFSSRRJ-MRVPVSSYSA-N	301.745	3.012	10	20	DGCD	
CCCOc1ccc(CN[C@]2(C(=O)O)CC[C@@H]3C[C@@H]32)cc1C	1776819747	CRAJHUGUQBQLOK-RVKKMQEKSA-N	303.402	3.127	10	20	DGCD	
CN(C)c1ccc2c(c1)CN([C@H]1CC[C@H](CC(=O)O)C1)CCC2	1777041166	CVHCCELARMFHIX-KSSFIOAISA-N	316.445	3.144	10	20	DGCD	
O=C(CCC1CCCC1)NCc1ccc(N2CCOCC2)cc1	54285122	MJIKTPVUJZFXDZ-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
Cc1nccn1CCCNCc1ccc(N2CCCCC2)cc1	69754139	PUWKNUCRXVCYEY-UHFFFAOYSA-N	312.461	3.362	10	20	DGCD	
OC[C@@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1O	93455411	HSKCCAFIBSZVMA-MRXNPFEDSA-N	303.789	3.137	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)c1	103530449	PVUMGILHKJYZGW-QWHCGFSZSA-N	315.369	3.046	10	20	DGCD	
O=C(NCc1ccccc1O)[C@@H]1CCCC[C@@H]1C(F)(F)F	133938835	FCYPPRPGBPHTRK-NEPJUHHUSA-N	301.308	3.377	10	20	DGCD	
Cc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C	152977959	AXWFMWAESQZYTG-GFCCVEGCSA-N	314.385	3.467	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2cnn(C)c2)cc1	154056692	VCFOVQWSXCGONX-UHFFFAOYSA-N	308.385	3.104	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)cc(F)c1	173197942	KXGZROHPDYFLGH-UHFFFAOYSA-N	318.323	3.070	10	20	DGCD	
COc1ccc(N(C)Cc2nnc(-c3ccco3)o2)cc1F	177070250	HHKNURADONMCFZ-UHFFFAOYSA-N	303.293	3.114	10	20	DGCD	
CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1ccccc1O	179889643	ZKYRHNUZTVDPSF-OAHLLOKOSA-N	312.413	3.092	10	20	DGCD	
C[C@@H](NCCn1cccn1)c1ccc(N2CCCCC2)c(F)c1	180432045	SIINEVTZMZCAPE-OAHLLOKOSA-N	316.424	3.363	10	20	DGCD	
CCCCCN1CC(=O)N[C@H]1c1ccc(N2CCCCC2)cc1	182324590	IEPTZZKPLRLXNO-LJQANCHMSA-N	315.461	3.298	10	20	DGCD	
CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(O)c1O	182507923	WZLVUUBKTNDEHW-HNNXBMFYSA-N	313.397	3.500	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)c1ncon1	182539287	NZYXQQVCWHCIKC-NSHDSACASA-N	316.386	3.030	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1CCC1	265857567	WTXJDYREWFKORY-UHFFFAOYSA-N	301.434	3.371	10	20	DGCD	
O=S(=O)(CCC1CC1)Nc1cc(Cl)c(O)c(Cl)c1	273484727	UGNSOHWZNRESNQ-UHFFFAOYSA-N	310.202	3.241	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@]2(C)CCCS2)c1	273610409	VQWDXPTZMNEXCJ-BDJLRTHQSA-N	309.431	3.115	10	20	DGCD	
C[C@@H](NCCc1cnn(C)c1)c1cc(Cl)c(Cl)cc1O	278220479	IWWANVVHRCHFGT-SECBINFHSA-N	314.216	3.326	10	20	DGCD	
C[C@H](N[C@H](C)c1cc(Cl)c(Cl)cc1O)c1ncnn1C	278387450	DKYPTLCKWUYJIG-SFYZADRCSA-N	315.204	3.239	10	20	DGCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)c1cncc(Cl)n1	278850053	LSSLNSCRDLLWRJ-ZDUSSCGKSA-N	319.792	3.021	10	20	DGCD	
CC[C@H](NC[C@H](O)c1cccc(OC)c1)c1ccc(F)cc1O	285987337	HYVXNGKZTYYXCL-WMZOPIPTSA-N	319.376	3.314	10	20	DGCD	
Cc1cc(C)c([C@@H](C)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1	294604534	DJCIYTIMCGPSBA-ZIAGYGMSSA-N	304.434	3.059	10	20	DGCD	
C[C@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(F)cc1O	296617253	WQNXWJONJBMBLC-QMMMGPOBSA-N	315.270	3.191	10	20	DGCD	
Oc1ccccc1CN1CCC([C@@H](O)c2ccc(F)cc2)CC1	305749316	XCFDZIABRWAVPN-IBGZPJMESA-N	315.388	3.477	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@]2(C)CCO[C@@H]2C2CC2)c1	368653158	QCJRPDPVRNILDF-JBBXEZCESA-N	305.418	3.257	10	20	DGCD	
CC(C)(C)OC(=O)N[C@H]1C[C@H](NCc2ccccc2O)C1(C)C	397858617	XMMUJHJGPAJLGS-GJZGRUSLSA-N	320.433	3.174	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2CCC[C@@H]2F)n(C)c2ccccc12	454873284	KLKPRWATWQLQRU-UONOGXRCSA-N	303.381	3.177	10	20	DGCD	
O=C(/C=C\Sc1ccccc1)NCc1ccc(O)c(O)c1	588401424	ZDWPNCVQSBYSPX-HJWRWDBZSA-N	301.367	3.020	10	20	DGCD	
CCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c1	588405777	VGHIBZBNDBWOAX-UITAMQMPSA-N	313.353	3.457	10	20	DGCD	
Oc1cc(Br)ccc1CN[C@@H]1CCCSC1	700992805	IOERQCVDBGDPDG-LLVKDONJSA-N	302.237	3.140	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2n[nH]cc2Br)c(O)c1	718127173	VCBPAFIGHRZOCQ-SECBINFHSA-N	310.195	3.037	10	20	DGCD	
Cc1noc(-c2ccc(NCc3ccc(N(C)C)cc3)nc2)n1	727757611	LCMVDBQOTYBMSW-UHFFFAOYSA-N	309.373	3.118	10	20	DGCD	
COc1cccc2c1OCC[C@H]2NCc1ccc(N(C)C)cc1	733332145	OMIRIORQIUJAKN-QGZVFWFLSA-N	312.413	3.375	10	20	DGCD	
CCOc1ccc(N(CC)Cc2cccc(C(=O)NC)c2)cc1	733794270	ILDVBYQFQCDDQA-UHFFFAOYSA-N	312.413	3.471	10	20	DGCD	
Cc1cc(CC(=O)OCCCO)c(C)n1-c1ccc(Cl)cc1	744589977	PTDBQEYDQUBTKW-UHFFFAOYSA-N	321.804	3.216	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC([C@@H]2CCOC2)CC1	753574057	APYKVVSGGNRARY-GFCCVEGCSA-N	313.800	3.433	10	20	DGCD	
CCN(CCNCc1cc(Cl)ccc1O)CCC(F)(F)F	755220812	SDJXCCVMOCGPKP-UHFFFAOYSA-N	324.774	3.410	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCSC(C)(C)C)c1	756681098	FXYOCRIIWFCFDJ-NSHDSACASA-N	311.447	3.361	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@@H]2c2cc(C)no2)cc1OC	768438629	DAVAPBXOZOWYTN-CYBMUJFWSA-N	318.373	3.043	10	20	DGCD	
CC(C)C[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768463349	HJJUMHVQEPPADC-DYVFJYSZSA-N	305.418	3.076	10	20	DGCD	
COc1cccc(O)c1CNCc1ccc(OC(C)(C)C)nc1	778638213	ADJXDXVGCQVLQK-UHFFFAOYSA-N	316.401	3.263	10	20	DGCD	
C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cccc(O)c1O	790882405	NJQLHGVTSACTJM-VIFPVBQESA-N	319.307	3.136	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCOC[C@H]2CCCO2)c1O	808695051	DTJVQXRVVWZUDU-TZMCWYRMSA-N	313.825	3.200	10	20	DGCD	
CSc1ccc(NC(=O)COc2ccc(N(C)C)cc2)cc1	810002518	ZLYNSJSITIFRBT-UHFFFAOYSA-N	316.426	3.492	10	20	DGCD	
COc1ccc2nc(N(C)Cc3ccccc3O)c(C)nc2c1	814868324	OGKIHVJWJRZFHY-UHFFFAOYSA-N	309.369	3.289	10	20	DGCD	
NC(=O)NCc1ccc(NCc2ccc3ccccc3c2O)cc1	816560013	BWZGCRBUKYQLHP-UHFFFAOYSA-N	321.380	3.326	10	20	DGCD	
C/C=C\C[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)OCC	816591577	IOGKGPORFLXVPB-DXTPNHAXSA-N	315.772	3.172	10	20	DGCD	
Cc1cc(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)cc(C)n1	817411508	RSXZRKIGJBODPN-UHFFFAOYSA-N	321.764	3.255	10	20	DGCD	
CC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	821682248	YDHKCUXQILFFRE-HNNXBMFYSA-N	316.426	3.410	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)/C=C/[C@H]2CCOC2)cc1	822269712	SYTHDRKXAQEFNH-YRYLYKBFSA-N	316.445	3.084	10	20	DGCD	
CCC[C@@H](CNCc1cc(C)cc(Br)c1O)OC	824544101	TZZNEGFGUGLOKW-LBPRGKRZSA-N	316.239	3.368	10	20	DGCD	
CN(Cc1cscn1)Cc1ccc(Br)cc1O	824627628	QWRBONHSCYYALO-UHFFFAOYSA-N	313.220	3.243	10	20	DGCD	
CCn1ccnc1[C@@H](C)NCc1cc(Cl)cc(OC)c1O	825005891	UVEYIHFWZQAFQN-SNVBAGLBSA-N	309.797	3.121	10	20	DGCD	
Cc1cc(O)c(CNCc2ccc3c(c2)OCCO3)cc1Cl	825059142	SMFFXWDZDOMIAV-UHFFFAOYSA-N	319.788	3.415	10	20	DGCD	
CCO[C@@H]1CCC[C@H]1NCc1cccc(Br)c1O	825284229	ICEYJYSBZAVNON-CHWSQXEVSA-N	314.223	3.202	10	20	DGCD	
CCCCn1ncc(C(=O)N[C@H](C)c2ccccc2O)c1CC	827946482	JSJPBYRPBZUNJY-CYBMUJFWSA-N	315.417	3.442	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCC(C)(C)CO	833633907	MTKGAYJUTAFGKJ-UHFFFAOYSA-N	320.458	3.294	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21)C(C)C	834880245	QDGFFTQOHKMATA-NDGTYSDOSA-N	322.424	3.172	10	20	DGCD	
CC[C@H](N[C@@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1O	834896560	LEFLXPKFCXJCJS-NHYWBVRUSA-N	307.825	3.451	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O	840950415	IBGSEJSNTPSKLN-IPMKNSEASA-N	302.462	3.186	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)cc1	840973183	DNEJIGRKBLFMEJ-CVEARBPZSA-N	312.404	3.171	10	20	DGCD	
C[C@H](Cc1ccccc1F)NC[C@H](N)c1ccc(N(C)C)cc1	841044067	USOXDEZPXIABLY-KUHUBIRLSA-N	315.436	3.112	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC2CC3(CCC3)C2)cc1F	844932975	AWAAXOHMGUQYRV-UHFFFAOYSA-N	305.397	3.024	10	20	DGCD	
COc1cccc([C@H](C)NCC[C@](C)(O)c2ccccc2)c1O	846164153	NLMWNVOQCSDBQQ-LIRRHRJNSA-N	315.413	3.349	10	20	DGCD	
COc1cccc([C@@H](C)N[C@@H]2Cc3ccccc3[C@@H]2OC)c1O	846169510	RJIPBLPXVPVXSM-FXHACXQTSA-N	313.397	3.364	10	20	DGCD	
CCc1cccc(CNCc2ccc(OC(C)C)nc2)c1O	848893240	ADTPYNCRSLDVFJ-UHFFFAOYSA-N	300.402	3.427	10	20	DGCD	
CCC1(CNCc2cc(OC)cc(C(C)(C)C)c2O)COC1	850318658	XCZNSHJTEHQSGB-UHFFFAOYSA-N	307.434	3.215	10	20	DGCD	
CCCc1cc(Sc2ncc(Cl)s2)n2ncnc2n1	853964193	IESYPVOZFNONIY-UHFFFAOYSA-N	311.823	3.338	10	20	DGCD	
CC(C)(C)CN(CC(=O)O)Cc1cc(Cl)c(F)cc1O	854243938	IOPMITHXZPEHOG-UHFFFAOYSA-N	303.761	3.117	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@](C)(CO)c2ccccc2)cc1F	858138640	GUULBOTZLDGVBL-GOSISDBHSA-N	320.383	3.028	10	20	DGCD	
CC(C)Nc1ccccc1NCC(=O)NC(C1CC1)C1CC1	871847874	YTEAYUMLOIIMHS-UHFFFAOYSA-N	301.434	3.224	10	20	DGCD	
Cc1ccc(CNCc2ccc(C(=O)N3CCCC3)cc2)c(O)c1	876881413	YMFAFGLSKVQQEM-UHFFFAOYSA-N	324.424	3.226	10	20	DGCD	
Cc1cccc(O)c1CNCCc1nc2c(F)cccc2n1C	877149990	JAZGEEDMALYDEQ-UHFFFAOYSA-N	313.376	3.059	10	20	DGCD	
C[C@H](NC[C@@H](O)[C@H](C)c1ccccc1)c1c(O)cccc1F	886640103	RJJGCBZDOOJLRJ-IIYDPXPESA-N	303.377	3.347	10	20	DGCD	
CC(C)N(CCO)Cc1cc(Cl)cc(Br)c1O	893897412	ZQVFQRSECCAWOI-UHFFFAOYSA-N	322.630	3.011	10	20	DGCD	
CCCC(=O)N1C[C@H](CNCc2ccc(OC)c(C)c2)C[C@@H]1C	980307257	OGSMYVSAUWYJSE-RDJZCZTQSA-N	318.461	3.130	10	20	DGCD	
COC(=O)CCN(Cc1ccc(N2CCCC2)cc1)CC(C)C	1320490029	IPCKGSHBGJYXTM-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
CCc1ncoc1C(=O)NCc1ccc(N(CC)CC)c(F)c1	1335773153	KJLNJSIEGBYFFJ-UHFFFAOYSA-N	319.380	3.152	10	20	DGCD	
Cc1ccc(N)c2c1N(C(=O)/C=C/c1cncc(F)c1)CCC2	1579708959	LMKNXJCRVDTNRY-FNORWQNLSA-N	311.360	3.104	10	20	DGCD	
CC(C)[C@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)C(F)(F)F	1593353273	RWIYITPYUPUACY-UFBFGSQYSA-N	305.296	3.328	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C(=O)O)C1CC1	1607765991	MITSDXLLIGMRIF-ZDUSSCGKSA-N	319.382	3.176	10	20	DGCD	
O=C(O)c1cnc(S[C@@H]2CCO[C@@H](c3cccnc3)C2)s1	1608978771	RABVHQNKJFXJSW-GHMZBOCLSA-N	322.411	3.249	10	20	DGCD	
CC1(C)CCC[C@](NCc2cc(F)cc(F)c2O)(C(=O)O)C1	1776551258	SERUHNFFIVWJTE-MRXNPFEDSA-N	313.344	3.184	10	20	DGCD	
Cc1cccc(NC(=S)NNc2ccc(C(=O)O)cc2)c1C	7521968	MLQZCWITYPMNAZ-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
Cc1ccccc1OCC(=O)NCCCSc1nccs1	114375772	PTYKFKOSJVTVRL-UHFFFAOYSA-N	322.455	3.129	10	20	DGCD	
Cc1ccc(C(=O)OCCCOc2ccc(F)cc2)c(O)c1O	109999932	QMDDTJVFWDFHLA-UHFFFAOYSA-N	320.316	3.171	10	20	DGCD	
CCc1cc(CN2CCO[C@@H](COC)C2)c(O)c(C(C)(C)C)c1	172920035	QYWFOQHGIUKCGR-MRXNPFEDSA-N	321.461	3.099	10	20	DGCD	
O=S(=O)(c1ccccc1NCc1ccccc1O)C(F)F	37086445	AFKAOLSTDSOEMW-UHFFFAOYSA-N	313.325	3.001	10	20	DGCD	
C[C@@H](NC(=O)C1=CCCCC1)c1ccc(N2CCOCC2)cc1	126862383	UJUGBVIRFROIGA-OAHLLOKOSA-N	314.429	3.201	10	20	DGCD	
C[C@H](NCc1nccs1)c1ccc(Br)cc1O	185087924	BJZACLATCQAQCO-QMMMGPOBSA-N	313.220	3.462	10	20	DGCD	
O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccnc1	79895985	YQSUBKQDSQSMJD-UHFFFAOYSA-N	317.395	3.006	10	20	DGCD	
Cc1cc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1	186383616	JEOKWFHWBLPYDS-CQSZACIVSA-N	313.397	3.384	10	20	DGCD	
Cc1c(F)cccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	190972730	BXROHMHTRRYMJS-JTQLQIEISA-N	318.348	3.298	10	20	DGCD	
CCN(C)c1ccc(CNCc2ccc(N(C)C)c(F)c2)cn1	190907368	BTXDOBHKGNXJMK-UHFFFAOYSA-N	316.424	3.033	10	20	DGCD	
Cc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H](C)CO1	237537209	VFANOJLCGLOJAE-BEFAXECRSA-N	324.424	3.108	10	20	DGCD	
COc1ccc(N2CCC(NCCC(F)(F)F)CC2)cc1	363566183	NNOQUIPGUNLBEG-UHFFFAOYSA-N	302.340	3.206	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O	274820811	BPDHMGWGJHJJIB-MSOLQXFVSA-N	324.424	3.234	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNc1ccc(C2(O)COC2)cc1	808433587	XSFPMNBOYVRBQL-UHFFFAOYSA-N	323.751	3.015	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cc(C(C)=O)c[nH]1	800913484	HVIUJCSGPAYLKB-UHFFFAOYSA-N	314.385	3.365	10	20	DGCD	
CC/C(C)=C/C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	297212534	SFXUJBASSXLGQT-WSYSLRRZSA-N	303.402	3.256	10	20	DGCD	
Oc1ccccc1CNC1(Cc2ccc(F)cc2)CCOCC1	292899214	GLQOBWYVPRJSSN-UHFFFAOYSA-N	315.388	3.413	10	20	DGCD	
CO[C@@H](C)[C@@H](C)N[C@H](C)c1cc(Br)c(F)cc1O	810257052	GQQRLOJFGBESKX-HLTSFMKQSA-N	320.202	3.368	10	20	DGCD	
C[C@H](N[C@H](CN)C1CC1)c1ccc(N2CCCCC2)c(F)c1	817960338	MEDDDHKQAIFTFB-SUMWQHHRSA-N	305.441	3.204	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCc1ccccc1C(=O)O	905759480	MAKYNSINNPLFNU-UHFFFAOYSA-N	312.413	3.092	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@](C)(O)c2cccc(F)c2)c1	903310301	PUYJFKNWZWRGDM-KPZWWZAWSA-N	319.376	3.098	10	20	DGCD	
CC(=O)Nc1cc(NC(=O)c2cc(O)cs2)ccc1Cl	732277019	AWVMDUVJXYXKPB-UHFFFAOYSA-N	310.762	3.318	10	20	DGCD	
CCCOc1cccc(CCNC(=O)Nc2ccc(N)cc2)c1	841299184	WFZWSNQHDGCHBU-UHFFFAOYSA-N	313.401	3.422	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)CCc1ccccc1	840940384	ZTBPIVHWSREKQT-HXUWFJFHSA-N	312.457	3.144	10	20	DGCD	
Cc1nccc(CCC(=O)Oc2ccc3c(c2)c(C)c(C)n3C)n1	842821160	RTTANAFKEPLYOH-UHFFFAOYSA-N	323.396	3.432	10	20	DGCD	
Cc1ccc(C2=NO[C@@H](C(=O)N[C@H](C)c3ccccc3O)C2)cc1	913763402	FSHYEKGHAIKVFV-FZKQIMNGSA-N	324.380	3.071	10	20	DGCD	
COc1cc(O)c(CNCC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1OC	848923476	LHRZVMBLDLDDEP-MELADBBJSA-N	303.402	3.101	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCSC12CCCCC2	848051626	SPLPWEPMZUEKQM-ALCCZGGFSA-N	319.426	3.347	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(Cl)cc1O	841750438	XGYZLVJOEJFRKT-IAQYHMDHSA-N	321.804	3.438	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@](CO)(C(C)C)C1	840948719	ICMZKANKRQSWJM-IBGZPJMESA-N	304.478	3.292	10	20	DGCD	
Nc1ccc(Cc2noc(-c3ccn(C4CCCC4)n3)n2)cc1	843160431	YETLVIDCAPPODB-UHFFFAOYSA-N	309.373	3.221	10	20	DGCD	
C[C@H](N[C@H](C)C1(CO)CC1)c1cccc(C(F)(F)F)c1O	850515421	KUIIDNMLKAZXLM-VHSXEESVSA-N	303.324	3.223	10	20	DGCD	
CCCOCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	920878758	KCDVNNHPLNXLSD-UHFFFAOYSA-N	314.429	3.179	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)c2cc(OC)no2)cc1	924710564	LYDWFRIBLZDXMA-CYBMUJFWSA-N	303.406	3.380	10	20	DGCD	
CCC[C@@H]1CCC[C@H]1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	852792695	ZSTXDVYGZKCBHK-ZTFGCOKTSA-N	317.477	3.085	10	20	DGCD	
COc1cc(CNCCCn2ccnc2)c(O)c(C(C)(C)C)c1	850006252	QHZQXTCBLMKGPK-UHFFFAOYSA-N	317.433	3.075	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CCO)C1CC1	757085598	BOAYOBNGSGPIFY-AWEZNQCLSA-N	318.442	3.046	10	20	DGCD	
C[C@@H]1C[C@H](NCCCOC2CCOCC2)c2c(O)ccc(F)c21	756734786	ZNWOCXMHIKFWDK-DOMZBBRYSA-N	323.408	3.255	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCO[C@H](c2cccc(Cl)c2)C1	768728210	AWGMDZRKRZYARG-ZDUSSCGKSA-N	323.801	3.321	10	20	DGCD	
CCCOc1ccc(CNCc2cnccc2OC)cc1C	873128423	NRBAMGSKJBADCR-UHFFFAOYSA-N	300.402	3.477	10	20	DGCD	
CC(C)N(Cc1ccco1)C(=O)/C=C\c1ccc(O)c(O)c1	779504555	AYWRHYCZJSLEQV-VURMDHGXSA-N	301.342	3.141	10	20	DGCD	
C[C@@H](NCCCn1cncn1)c1cc(Cl)c(Cl)cc1O	774300262	ZHOYWOFQJMPYPR-SECBINFHSA-N	315.204	3.031	10	20	DGCD	
CC(C)[C@@H]1CCCN1Cc1ccc(N2CCC(O)CC2)cc1	876579484	SUOXROOQEPRDTA-IBGZPJMESA-N	302.462	3.268	10	20	DGCD	
COc1ccc(O)c(CNCC(C)(C)Oc2ccccc2)c1	776177671	SIVYBGWEZICQJK-UHFFFAOYSA-N	301.386	3.348	10	20	DGCD	
Cc1nnc(CN(Cc2ccccc2O)C2CCCC2)s1	773426960	OJOMIXMLFPTXAY-UHFFFAOYSA-N	303.431	3.497	10	20	DGCD	
Cc1noc(C)c1CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773013440	YFCPWFKDBOVKMI-LBPRGKRZSA-N	315.417	3.167	10	20	DGCD	
CCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCOCC1	773005655	CIMMDYQQSPLLCI-AWEZNQCLSA-N	304.434	3.137	10	20	DGCD	
C[C@H](Nc1ccc(C(=O)N(C)C)cn1)c1ccc(N(C)C)cc1	772295490	GVJSNOAEGWWDJZ-ZDUSSCGKSA-N	312.417	3.023	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC[C@H]1COc1ccc(F)cc1	888522421	MXQPDSUXSGCSNZ-LBPRGKRZSA-N	321.373	3.276	10	20	DGCD	
CC[C@@H](CC(F)F)Cn1cc(COc2ccc(N)cc2)nn1	881384906	HPDHTBHZBJYERL-NSHDSACASA-N	310.348	3.121	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cn(CC)nc2C)cc1	892614112	FDSDUCIMGVMUEG-UHFFFAOYSA-N	300.450	3.347	10	20	DGCD	
C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccn1	898449661	IQJNPURZZTXIRE-HNAYVOBHSA-N	312.461	3.101	10	20	DGCD	
COCC1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1	895969533	GUSFSEJJJRCYEW-UHFFFAOYSA-N	322.452	3.328	10	20	DGCD	
CC[C@H](NC[C@H]1CCCN(C(C)=O)C1)c1cc(Cl)ccc1O	794834327	MVACMOMYRXPQNQ-CJNGLKHVSA-N	324.852	3.345	10	20	DGCD	
Cc1ccc2c(c1)CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2	790989111	XXSTUVPQWKIFAR-DAXSKMNVSA-N	309.365	3.004	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1(C)CCC1	798224202	AVGGDBYTGRWRKQ-UHFFFAOYSA-N	324.490	3.095	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(CSC)cc2)c(O)c1	794389434	OAZPBFOFZWXXOR-UHFFFAOYSA-N	317.410	3.194	10	20	DGCD	
CC[C@H](NCc1cocn1)c1cc(Br)ccc1O	397997559	QZEUOUOTHJDEIH-LBPRGKRZSA-N	311.179	3.384	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCCNC(=O)C(C)C	1323828651	CCEXVOFHXGCOSZ-UONOGXRCSA-N	304.434	3.001	10	20	DGCD	
O[C@@H]1CCC[C@H]1[C@H]1CCCN1Cc1ccc(N2CCCC2)cc1	1327951724	JXWRJUZHIPHUPB-XUVXKRRUSA-N	314.473	3.412	10	20	DGCD	
CC(C)[C@@H]1CN(Cc2c(O)cccc2Br)CCO1	708999827	HWLHVMYWXBENJM-AWEZNQCLSA-N	314.223	3.012	10	20	DGCD	
CC(C)[C@]1(CO)CCN(Cc2cc(Cl)cc(F)c2O)C1	1325929362	ZGZAQXAIAOTKEB-OAHLLOKOSA-N	301.789	3.025	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNc1ccc(-n2cncn2)cc1	1324338066	YOUWVZBQGOXLCQ-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
CC/C(C)=C\C(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1	1182405122	BCRITJFSCBWPOQ-OOXMNIKJSA-N	316.445	3.050	10	20	DGCD	
C[C@@H](CNCc1c(O)cccc1Br)c1ccncc1	1331272078	NNOPJXSWYJOBGS-NSHDSACASA-N	321.218	3.443	10	20	DGCD	
C[C@@H](NCCc1cc(F)cc(F)c1)c1cc(C(=O)O)ccc1O	1609779810	OQTAOUVHEMJNQR-SNVBAGLBSA-N	321.323	3.262	10	20	DGCD	
C[C@H](N[C@H](C)c1c(O)cccc1F)c1ncc(C(=O)O)s1	1593194872	AIVNDPZWMLTJSR-SFYZADRCSA-N	310.350	3.098	10	20	DGCD	
CC[C@@](CNCc1cccc(C)c1O)(C(=O)O)c1ccccc1	1595168073	PBOUSHGQBLLGDH-IBGZPJMESA-N	313.397	3.223	10	20	DGCD	
CCN1CCc2cc(CN[C@@H]3CCCC[C@@]3(C)C(=O)O)ccc21	1776877435	HZUFDKICFZFHAI-IEBWSBKVSA-N	316.445	3.192	10	20	DGCD	
CCCOc1ccc(CNCc2ncccc2C(=O)O)cc1C	1776821755	VRBYHUQMLYNRNO-UHFFFAOYSA-N	314.385	3.167	10	20	DGCD	
COc1cc(CN2CC[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1	164483875	RNLYBIHLQPNMAF-LJQANCHMSA-N	319.445	3.311	10	20	DGCD	
Cc1cccc(C)c1NC1=NC(=O)/C(=C/c2csnn2)S1	207696452	DUWNYKIDMAPDQG-WDZFZDKYSA-N	316.411	3.237	10	20	DGCD	
CN(C)c1ccc(CNCc2ccc(Br)cn2)cc1	70395699	NPZWFASDGQHWJO-UHFFFAOYSA-N	320.234	3.200	10	20	DGCD	
CCn1c(C)cc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1C	58972726	FQTXTHKBOZEDCB-UHFFFAOYSA-N	317.408	3.260	10	20	DGCD	
COc1cccc(CNC(=O)N[C@H](C)C2CCCCC2)c1O	74505327	PGNRUXXEHAAREZ-GFCCVEGCSA-N	306.406	3.169	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1c1cccnc1	75159442	DUOXTBCMFHHYER-DLBZAZTESA-N	322.408	3.086	10	20	DGCD	
CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)ccc1O	93712261	CMTSFWDMPCKCLR-NRFANRHFSA-N	323.845	3.415	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C[C@H]1CCCO1	97989738	FDSNHXARGUSYDT-CYBMUJFWSA-N	314.223	3.156	10	20	DGCD	
CCCN(CC1CC1)C(=O)NCc1ccc(N(C)C)cc1C	115853925	JKZRWMUIDVOFJE-UHFFFAOYSA-N	303.450	3.393	10	20	DGCD	
Oc1cccc(Cl)c1CNc1cnn(-c2ccccn2)c1	124579578	YEXTUPDOZDQJQK-UHFFFAOYSA-N	300.749	3.238	10	20	DGCD	
C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1	125757287	HJKMTVUVNITIID-GXTWGEPZSA-N	315.383	3.040	10	20	DGCD	
CC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C	128620962	GUVFLFQJLLOZQR-CYBMUJFWSA-N	312.413	3.500	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CC[C@H](CN2CCCC2)C1	131343711	VQNWOJGJEKOSIJ-MRXNPFEDSA-N	310.441	3.463	10	20	DGCD	
CC[S@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1	162861349	HVINVHLMRQQWPS-CHAYTZKSSA-N	322.518	3.483	10	20	DGCD	
Cc1ccccc1/C=C1\SC(=S)N(Cc2ccon2)C1=O	178017665	ZYLONPWLSZRLAK-JYRVWZFOSA-N	316.407	3.384	10	20	DGCD	
CC1CCN(C[C@H]2CCCN(Cc3ccccc3O)C2)CC1	179564221	TZFCJAODVGYNAK-QGZVFWFLSA-N	302.462	3.336	10	20	DGCD	
CN(C[C@@H]1CCCN1Cc1ccccc1O)C(=O)OC(C)(C)C	179584569	ZQNANYGIWHHQCH-HNNXBMFYSA-N	320.433	3.224	10	20	DGCD	
COc1ccc(O)c(CN2CCO[C@@](C)(c3ccccc3)C2)c1	180203299	OWILCCGNZBSDKA-LJQANCHMSA-N	313.397	3.148	10	20	DGCD	
C[C@H](CC(=O)OC(C)(C)C)NCCCSc1nccs1	182670183	XREAMMXWPHYUOK-LLVKDONJSA-N	316.492	3.335	10	20	DGCD	
COc1cc(C)cc(CN2CCC([C@H]3CCCO3)CC2)c1O	190180762	WQYYJDSAPBWZGU-MRXNPFEDSA-N	305.418	3.100	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCCOC(F)F	193663895	RRSLWSCLFBEWBG-UHFFFAOYSA-N	300.132	3.418	10	20	DGCD	
C[C@@H](C(=O)N1[C@@H](C)CCC[C@H]1C)N(C)Cc1ccccc1O	246429592	CNAHBKXCZZYZET-ZNMIVQPWSA-N	304.434	3.002	10	20	DGCD	
O=C(Cn1ccnn1)Nc1ccc(N=Nc2ccccc2)cc1	255423485	DUKZBMBTXOWORO-UHFFFAOYSA-N	306.329	3.332	10	20	DGCD	
C[C@@H](COCC(F)(F)F)N[C@@H](C)c1ccc(N(C)C)cc1	269070743	ZZHMNKSJZJXTKF-RYUDHWBXSA-N	304.356	3.371	10	20	DGCD	
CCc1nc([C@H](C)N[C@H](C)c2ccc(N(C)CC)cc2)n[nH]1	271499368	LXAJAVRPURYCRJ-OLZOCXBDSA-N	301.438	3.235	10	20	DGCD	
C[C@H](NCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1O	273418022	RHYNBPSKUUMEAM-LBPRGKRZSA-N	302.330	3.030	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1O	278479065	OOZFMGWXYZYGDI-YPMHNXCESA-N	310.388	3.338	10	20	DGCD	
C[C@@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)c2ccccc2O1	295064298	OQRPKICGLJYQHJ-BXUZGUMPSA-N	313.353	3.123	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1	373320579	DPRYDRQSRCIPOE-NXEZZACHSA-N	323.801	3.233	10	20	DGCD	
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1cc(F)ccc1O	374996536	UEHLCUHTAVQWFH-CVEARBPZSA-N	313.376	3.085	10	20	DGCD	
C[C@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C(C)(C)C1	380402772	RAZSPOUJRCHNKR-JPVGGKMYSA-N	304.346	3.317	10	20	DGCD	
OC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C1CCCC1	395095377	BWNXJMPROHZOCJ-CYBMUJFWSA-N	304.217	3.340	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CN1CCc2ccccc21	727168021	HGSCVFWKWIBHJW-UHFFFAOYSA-N	324.424	3.194	10	20	DGCD	
O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccccc1O	748350512	VMKBSXJOUGENBY-UHFFFAOYSA-N	323.392	3.160	10	20	DGCD	
COc1ccccc1[C@H](CO)N[C@@H](C)c1cc(C)ccc1O	756711482	LIRBZSWNJWOPHT-BBRMVZONSA-N	301.386	3.093	10	20	DGCD	
C[C@@H](NC[C@H](O)CCc1ccccc1)c1cc(F)cc(F)c1O	757666394	SOWPLMMIBLGXDD-IUODEOHRSA-N	321.367	3.315	10	20	DGCD	
C[C@H](NC(=O)[C@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1	766908788	DUDYNUZLWFJHEQ-KSSFIOAISA-N	323.440	3.445	10	20	DGCD	
CC[C@H](N[C@@H](C)CC[S@](C)=O)c1cc(Cl)ccc1O	775527822	UQUBYWKNHQHMOK-JXBWDGJFSA-N	303.855	3.243	10	20	DGCD	
COC(=O)c1cccc(NNC(=S)Nc2cccc(C)c2)c1	779726476	FNKCGJIPRDPBEG-UHFFFAOYSA-N	315.398	3.095	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](CCOC)Cc2ccco2)c1	784625934	QPELHOZNYFHNJY-HNNXBMFYSA-N	319.401	3.121	10	20	DGCD	
CC(C)C[C@@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792946567	QDKXQGJEBLOJBP-CQSZACIVSA-N	318.383	3.268	10	20	DGCD	
CCOC1(C)CCN(Cc2c(O)ccc3ccncc23)CC1	793546179	MVPFPMBHCJPLER-UHFFFAOYSA-N	300.402	3.331	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@@H](CO)Cc2ccco2)c1O	808703782	WFVHLNLOEZTETC-OLZOCXBDSA-N	323.820	3.449	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2c(C)cnn2C)cc1	809541548	UKMNPUCNGLKNPG-UHFFFAOYSA-N	300.450	3.207	10	20	DGCD	
COc1cc(C)cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O	811781141	YYTZGTAXFNGBIV-PBHICJAKSA-N	305.418	3.099	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(O)c1	813685792	SKGVUGUXZZFTTN-UHFFFAOYSA-N	312.152	3.335	10	20	DGCD	
CCN(C)c1ccc(CN2CC(=O)N(C)[C@@H]2c2ccccc2)cc1	815100713	SQCNXLPEPXPIMM-FQEVSTJZSA-N	323.440	3.116	10	20	DGCD	
CC[C@@H](NC[C@H](N)C1CC1)c1ccc(C(F)(F)F)cc1O	817965381	PVDCGRABTMDXCS-QWHCGFSZSA-N	302.340	3.189	10	20	DGCD	
CCC[C@](C)(N)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	826019506	HIPLNKNRSRLKOI-SFHVURJKSA-N	305.466	3.009	10	20	DGCD	
C[C@@H](NCc1nc(O)c2ccccc2n1)c1ccc(N(C)C)cc1	839562889	DXQCTMVMTMKKIS-CYBMUJFWSA-N	322.412	3.252	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)CCn1cccn1	840892672	BYEPPPFKAOFBDT-DLBZAZTESA-N	314.477	3.257	10	20	DGCD	
CN(C)c1ccc(CN2CCC(c3ccncn3)CC2)cc1F	840953537	TYNGLTNNWXVIHY-UHFFFAOYSA-N	314.408	3.061	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(Cl)cc1O)C(C)C	841755511	HZAKEPTXGOOFLJ-NHYWBVRUSA-N	312.841	3.199	10	20	DGCD	
CC1(C)CN(C(=O)NCCc2ccc(N)cc2)CC(C)(C)C1	841959265	LVKGFDPQWBFLND-UHFFFAOYSA-N	303.450	3.279	10	20	DGCD	
Oc1c(Cl)cccc1CN1CCNC[C@H]1c1cccc(F)c1	843118942	QERPIERNZFPALP-INIZCTEOSA-N	320.795	3.331	10	20	DGCD	
CC[C@H](NCc1cc(OC)cc(C(C)(C)C)c1O)C(C)(C)O	850311434	VLOFXSFOYABXKO-HNNXBMFYSA-N	309.450	3.337	10	20	DGCD	
COc1ccc(F)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1	857081719	QRPGIUZMZPIOCD-JTQLQIEISA-N	320.320	3.299	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H]3C[C@@H]3C2)c1	862218957	PGQODMGNXLMISS-DOTOQJQBSA-N	322.408	3.389	10	20	DGCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)CC[C@H]1C(=O)OC(C)(C)C	862485139	HSBDAWPSZCKOBZ-IUODEOHRSA-N	323.408	3.331	10	20	DGCD	
Cc1cc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)n1-c1ccccc1	863163408	BHUPLISENNXKMW-QRVBRYPASA-N	324.424	3.278	10	20	DGCD	
C[C@@H](Nc1ncnc2c1cnn2C(C)(C)C)c1ccccc1O	866239215	SSKIVBOBMPEFSA-LLVKDONJSA-N	311.389	3.460	10	20	DGCD	
Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)c(C)c1	867834364	NCBWCTGBEMJKQV-CYBMUJFWSA-N	305.399	3.049	10	20	DGCD	
COC(=O)CC[C@H]1CCCN(Cc2c(O)cccc2Cl)C1	877818812	PLMGPEBEYGEHLI-GFCCVEGCSA-N	311.809	3.211	10	20	DGCD	
CCC(CC)N(CCOC)Cc1ccc(OC)c(OC)c1O	891678727	VLJDGTDRTUUGPI-UHFFFAOYSA-N	311.422	3.046	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@@H]1C[C@H](O)c1ccco1	894096675	WEBMHVWOZDPGJI-HIFRSBDPSA-N	323.339	3.352	10	20	DGCD	
CCCn1ccnc1CCCN(C)Cc1cc(F)cc(F)c1O	894779584	IXLNNGHNAZFLKA-UHFFFAOYSA-N	323.387	3.342	10	20	DGCD	
C[C@H]1CC[C@@](CNCc2ccc3c(c2)CCCO3)(CC(=O)O)C1	900027455	QSMIWBOQGUUDSW-LIRRHRJNSA-N	317.429	3.382	10	20	DGCD	
CCCOc1ccc(CN[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1C	901925146	WPGZBBULKQSQGQ-IDCNUPLLSA-N	317.429	3.373	10	20	DGCD	
Cc1cccc([C@@H](NCc2ccc(N(C)C)c(F)c2)C(=O)O)c1	904264769	PVMVFARFVSNXLS-QGZVFWFLSA-N	316.376	3.116	10	20	DGCD	
Cc1cc(CN2CCC(NCC3CC3)CC2)ccc1N(C)C	923293619	ZJMGSYRCHGVWQY-UHFFFAOYSA-N	301.478	3.025	10	20	DGCD	
CCCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C[C@H]1C	1044422694	TUSIWMKSYIDVGH-NVXWUHKLSA-N	318.461	3.273	10	20	DGCD	
COc1ccc(CNCCNC(=O)C[C@H]2CC[C@H](C)C2)cc1C	1132538874	RPASYBFCRKKZAM-HOCLYGCPSA-N	318.461	3.036	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CCN(CC(F)F)C1	1345143631	WIVWMLYJIGOMTF-JHJVBQTASA-N	310.388	3.178	10	20	DGCD	
CN(C)c1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)cc1	1598317856	MSGZQLNALBPZRJ-RBUKOAKNSA-N	324.424	3.053	10	20	DGCD	
CCOc1ccccc1NC[C@@H](O)COCc1cccs1	37874951	CAVITEPASRDMDG-CYBMUJFWSA-N	307.415	3.136	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1nc(Cl)ccc1Cl	38000185	BZEDTAHYZXDHFS-UHFFFAOYSA-N	311.168	3.366	10	20	DGCD	
CC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	69638166	HWBDFXJRHXWVGQ-MAUKXSAKSA-N	318.461	3.306	10	20	DGCD	
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC1	81203138	WRVQWEROMRTQCZ-CYBMUJFWSA-N	324.371	3.173	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1	91958847	UMKXDXHEYUTGEC-RDJZCZTQSA-N	301.386	3.382	10	20	DGCD	
CCCS(=O)(=O)CCSc1ncc(-c2ccccc2)n1C	133087662	HMVDYZUXQITEPJ-UHFFFAOYSA-N	324.471	3.004	10	20	DGCD	
Cc1cc(NC(=O)c2sccc2-n2c(C)ccc2C)nn1C	151135927	UXBGOGUPJHJZDF-UHFFFAOYSA-N	314.414	3.450	10	20	DGCD	
COc1ccc(C(F)(F)C(=O)N(C)Cc2ccccc2O)cc1	156822726	BEXBRXZXSSCBSN-UHFFFAOYSA-N	321.323	3.151	10	20	DGCD	
CC(C)C[C@H](CO)N[C@H](C)c1ccc(Br)cc1O	185114379	WRIHNFFBDLEBPR-ZYHUDNBSSA-N	316.239	3.212	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CCc3c(F)cccc32)cc1	185901880	QBXWOKCGUGFIQR-UHFFFAOYSA-N	313.376	3.164	10	20	DGCD	
Cc1nccn1CCCCN[C@@H](C)c1ccc(F)c(F)c1O	187734340	PLATVAWEZARABZ-NSHDSACASA-N	309.360	3.306	10	20	DGCD	
CC[C@H](N[C@@H](C)C[C@@H](C)O)c1cc(Br)ccc1O	228067097	SJROXWXYSKCPAT-CWSCBRNRSA-N	316.239	3.355	10	20	DGCD	
Oc1ccccc1CNC[C@@H](c1ccco1)N1CCCCC1	238102721	GOTRTPFWQMBYIP-INIZCTEOSA-N	300.402	3.302	10	20	DGCD	
CC[C@H](NCc1ccc(N(C)C)nc1)c1ccc(N(C)C)cc1	268783644	UZZFSJWDYUHXLN-SFHVURJKSA-N	312.461	3.455	10	20	DGCD	
C[C@@H](O)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1	273379231	HUJWQENDLBJLKT-VXGBXAGGSA-N	316.357	3.205	10	20	DGCD	
C[C@H](c1ccccc1O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1	296653908	ZDGRODORQQOAHB-KGLIPLIRSA-N	304.434	3.067	10	20	DGCD	
CCCOc1ccc(CNCc2ccc3cncn3c2)c(O)c1	297486326	KBGNWVDZVXWTEM-UHFFFAOYSA-N	311.385	3.119	10	20	DGCD	
COc1ccccc1O[C@@H](C)CN[C@@H]1CCc2cccc(O)c21	297794780	QBWDNFVCKAGABT-DZGCQCFKSA-N	313.397	3.445	10	20	DGCD	
Cc1c(CNC(=O)c2ccc3nccn3c2)n(C)c2ccccc12	348671829	ZCMTWGHGNNHNBM-UHFFFAOYSA-N	318.380	3.064	10	20	DGCD	
OC[C@H]1Cc2ccccc2N(Cc2cccc(Cl)c2O)C1	367788526	BIDBPVNXHFEYAW-LBPRGKRZSA-N	303.789	3.217	10	20	DGCD	
CC[C@H](N[C@@H]1CCc2nc(C)ncc2C1)c1ccc(N(C)C)cc1	370670817	HRHMBYIJZCFJKX-MJGOQNOKSA-N	324.472	3.449	10	20	DGCD	
Cc1oc2ccccc2c1CNC(=O)/C=C\c1ccc(O)c(O)c1	588480115	AKQCHEZFQBYWIX-CLFYSBASSA-N	323.348	3.482	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc2occc2[nH]1	750844739	CKHVWOLFLVPUQF-UHFFFAOYSA-N	309.369	3.291	10	20	DGCD	
C[C@H]1C[C@@H](N[C@@H]2c3ccccc3C[C@@H]2O)c2c(O)ccc(F)c21	756461085	VBKBWIPSKXSEFO-UPESVBDASA-N	313.372	3.328	10	20	DGCD	
CC(C)C[C@H](O)CN[C@H](C)c1ccc(Br)cc1O	756496432	HKXQPQACAUMWPP-PWSUYJOCSA-N	316.239	3.212	10	20	DGCD	
C[C@H]1C[C@@H](NCCN(C)CC(F)(F)F)c2c(O)ccc(F)c21	756568399	DSNPPJMIGDZZQD-GXSJLCMTSA-N	320.330	3.163	10	20	DGCD	
Cc1cccc([C@@H](O)CN[C@@H](C)c2cc(F)cc(F)c2O)c1	756762758	RAHWXZPBWGQJSC-ZBEGNZNMSA-N	307.340	3.363	10	20	DGCD	
CCOc1ccc(CN[C@]2(C)CCCC[C@@H]2C(=O)OC)c(O)c1	757801860	YBUKBGBATNJDPH-CRAIPNDOSA-N	321.417	3.002	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1c(F)cccc1F	759587634	BOSXXTRBWZMKBC-FNORWQNLSA-N	306.264	3.133	10	20	DGCD	
COC[C@H](Cc1ccccc1)NCc1ccc(N(C)C)cc1C	766029947	QJPQCADEMAGSRP-IBGZPJMESA-N	312.457	3.408	10	20	DGCD	
OCC1CCN(c2ccc(CNC3CC(C(F)F)C3)cc2)CC1	768687901	MMAQUPJIIXKEAF-UHFFFAOYSA-N	324.415	3.029	10	20	DGCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)CCC2CC2)cc1	770659378	XKRBHPIPJIGYLA-UHFFFAOYSA-N	324.490	3.095	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)Cc1cnc(N)s1	771934859	CWIUPNFYVOFNPO-UHFFFAOYSA-N	316.474	3.348	10	20	DGCD	
C[C@H](NC(=O)/C=C/c1ccc(O)cc1)c1ccc(N(C)C)cc1	775402565	HFWAMNOHLBZFON-BLXFFLACSA-N	310.397	3.349	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H]2CCN(C(C)C)C2)cc1	775647280	QZFGBZIRZROHJS-IBGZPJMESA-N	303.494	3.447	10	20	DGCD	
CC(C)(C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)(F)F	779525775	RTDMYVMNBMFVTN-IYNGYCSASA-N	317.307	3.204	10	20	DGCD	
CN(C)c1ccc(CNCC(C)(C)CN2CCCC2)cc1F	791011099	NWLJLFKESHMTFS-UHFFFAOYSA-N	307.457	3.103	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(C)(C)O	792951067	BUADILNEMQNHIT-JTQLQIEISA-N	304.356	3.020	10	20	DGCD	
CC[C@H]1CCCCN1C(=O)CN1CCCc2cc(OC)ccc21	797725124	RJIGIALGMKUBQZ-INIZCTEOSA-N	316.445	3.239	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC=C(C)C2)cc1	798057555	SHLBIHBXXAHYFB-UHFFFAOYSA-N	301.434	3.394	10	20	DGCD	
CC[C@@H]1CC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	806133189	IVNMGARXLRTJGY-PBHICJAKSA-N	306.425	3.065	10	20	DGCD	
C[C@H]1[C@H](N2CCCC2)CCN1Cc1cc(Cl)cc(F)c1O	809724020	CUKNVMPEOPQTII-XHDPSFHLSA-N	312.816	3.243	10	20	DGCD	
COc1cccc(CN2CCCN(C)c3cc(F)ccc32)c1O	809786012	LTCDYAKJYVVYGE-UHFFFAOYSA-N	316.376	3.386	10	20	DGCD	
CC(C)OCc1cc(NC(=O)c2cc(O)cs2)ccc1O	811594502	ORKRTRFMSOOIAL-UHFFFAOYSA-N	307.371	3.337	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@H](N3CCCC3)C[C@@H]2C)cc1	815117416	MDEIFLGRGXIFKK-QFBILLFUSA-N	301.478	3.201	10	20	DGCD	
Cc1cc(CN2CC[C@H](N3CCCC3)[C@H]2C)ccc1N(C)C	815118665	QYRMEVIPPBEJTF-APWZRJJASA-N	301.478	3.120	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H](CN)[C@@H](C)C[C@@H]2C)c1O	817880392	RNAHNRIXWXZKJN-MJVIPROJSA-N	324.852	3.053	10	20	DGCD	
CC1CCN(c2ccc(CN[C@@H]3CNCC[C@H]3C)cc2)CC1	817902783	YEEROIXBQJRKQY-VQIMIIECSA-N	301.478	3.011	10	20	DGCD	
CC1(C)C[C@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1	817941171	MXDCTECDNSVXRS-LBPRGKRZSA-N	315.442	3.092	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C/c2cnc(C)s2)cn1	823425920	GQUGONXKBOFCDQ-VOTSOKGWSA-N	318.446	3.370	10	20	DGCD	
COc1cc(CN[C@@H](C)C(=O)OC(C)C)c(O)c(C(C)(C)C)c1	826097363	ZMXUKUMVJAKHMW-LBPRGKRZSA-N	323.433	3.128	10	20	DGCD	
C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCC1	839145162	MPDOCEBIRHXKGU-LBPRGKRZSA-N	310.388	3.080	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1scnc1C	839683065	KENGRIQWAOVMOU-UHFFFAOYSA-N	317.458	3.075	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@]1(C)CCCCO1	839921318	CHKIEOCDLBUWDZ-KXBFYZLASA-N	318.461	3.067	10	20	DGCD	
C[C@@H](NCCC(=O)N1CCCCCC1)c1ccc(Cl)cc1O	841746571	IJXNMCNSSPKSFZ-CYBMUJFWSA-N	324.852	3.489	10	20	DGCD	
Cc1ccc(-c2nn(C)cc2CNCc2ccc3c(c2)CCO3)o1	842673487	NENNAJAHZMQUEW-UHFFFAOYSA-N	323.396	3.213	10	20	DGCD	
CC(C)(C)n1cc(NC(=O)NCc2cc(Cl)ccc2O)cn1	844547284	LLRRCLMPFBHALH-UHFFFAOYSA-N	322.796	3.319	10	20	DGCD	
CN(C)c1ccc(CN2CCc3ccc(C(=O)O)cc3C2)cc1	846274409	RWTWKZXLUKPWMA-UHFFFAOYSA-N	310.397	3.009	10	20	DGCD	
CCS[C@@H](C(=O)NCc1cc(Cl)ccc1O)C(C)C	846472379	JBIMXVFLERSLPM-CYBMUJFWSA-N	301.839	3.440	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)NCC1CC1	849254402	KRTJNWGSUMXPFD-UHFFFAOYSA-N	305.491	3.248	10	20	DGCD	
COc1cc(CN[C@@]2(C)CCO[C@@H]2C)c(O)c(C(C)(C)C)c1	850244753	CJMWRWDEUMCQRW-XIKOKIGWSA-N	307.434	3.355	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H]2CCN(C3CCCCC3)C2)c1	850382718	VJSJLAKIVPDECG-MRXNPFEDSA-N	318.461	3.288	10	20	DGCD	
CN(C)c1cc(F)c(CN2CC[C@H](N3CCCCC3)C2)cc1F	862239184	YFVDGMXKVSMQRM-HNNXBMFYSA-N	323.431	3.091	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc(C)cc1O)c1cc(C)cc(C)c1	877426561	BFWHJNSQNWILEC-SFHVURJKSA-N	313.397	3.321	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)[C@@H]1C	877594565	VGRHNYYHXOMJJL-BZUAXINKSA-N	302.462	3.124	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC[C@@H](CC(C)C)OC)C2)cc1	877598006	FZRBJYIDEDKQPC-VQIMIIECSA-N	320.477	3.172	10	20	DGCD	
COc1ccc(CN2CCC[C@H]2c2ccccn2)c(O)c1OC	891630137	LOFUMKUQZBMVOR-HNNXBMFYSA-N	314.385	3.142	10	20	DGCD	
COc1ccc(CNc2cccnc2OC(C)C)c(O)c1OC	893199708	YRMRKGRVRKMLFQ-UHFFFAOYSA-N	318.373	3.204	10	20	DGCD	
COc1cc(C)cc(CN2CC(c3nc4ccccc4[nH]3)C2)c1O	894050125	PHQMKSHMJKOVFX-UHFFFAOYSA-N	323.396	3.185	10	20	DGCD	
COc1cc(C)cc(CNCCCCCN2CCCC2)c1O	894860687	VHNSJKIURZKUBH-UHFFFAOYSA-N	306.450	3.065	10	20	DGCD	
CC(C)(C)CCS(=O)(=O)Nc1cc(F)c(O)cc1Cl	901963286	PUBDFIUJGRCMTI-UHFFFAOYSA-N	309.790	3.363	10	20	DGCD	
CC[C@H](NC[C@H]1CCN1C)c1cc(Cl)cc(Cl)c1O	903318793	SYOVOOOZQGTZJS-MFKMUULPSA-N	303.233	3.444	10	20	DGCD	
CC(C)(C)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1324576717	UNLMOJIBBFDGRI-NSHDSACASA-N	306.189	3.288	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC(Nc2ccccc2)CC1	1328655245	KXZOOJALANHCEV-UHFFFAOYSA-N	302.399	3.170	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCC[C@H](N2CCCC2)CC1	1331527735	CXNUFZJTDQIZAU-HNNXBMFYSA-N	310.388	3.121	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ccc(/C=C/C(=O)O)o1	1598519190	JVGVELDLKZRGTG-ZHACJKMWSA-N	314.385	3.075	10	20	DGCD	
CN(C)c1ccc(CN(CCC2(C(=O)O)CCC2)C2CC2)cc1	1604090725	FAXSGMQOIBRGCK-UHFFFAOYSA-N	316.445	3.362	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)CSCC(=O)O)c1C	1607870564	SCRLRLCPCCXSNT-UHFFFAOYSA-N	317.410	3.403	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C)c2ncc(C(=O)O)s2)cc1C	1610475355	BWUPBFCVMGHFSS-JTQLQIEISA-N	306.387	3.015	10	20	DGCD	
CC[C@H](C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	55530356	AGNQUATXRHXYGX-MELADBBJSA-N	322.424	3.102	10	20	DGCD	
CCCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	81203179	BKUWDGSKKWPVFP-GFCCVEGCSA-N	312.360	3.173	10	20	DGCD	
CCc1nc(Cl)c(C)c(NCc2cccc(OC)c2O)n1	91479401	POLMZGKYLUYHEI-UHFFFAOYSA-N	307.781	3.327	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccnn1C	102348169	HNSJEDKSIBLIKK-UHFFFAOYSA-N	300.387	3.141	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCCC2CCCCC2)c1	114588218	OFUDWJWALSQOPO-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)/C=C/c1ccc(Cl)nc1	129611691	XTJFFGZIFKFKFW-VQHVLOKHSA-N	302.761	3.112	10	20	DGCD	
Nc1ccc(CCNC(=O)c2ccccc2OC2CCC2)cc1	152489140	SELUWPPLDIXAPI-UHFFFAOYSA-N	310.397	3.173	10	20	DGCD	
CCOc1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1O	155188645	MFQQPYPVGGADHF-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
C[C@@H](N[C@H]1CCCN(c2ccccc2)C1=O)c1ccccc1O	179884741	LWFACQQGHGSHBN-PBHICJAKSA-N	310.397	3.238	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccccc2N(C)C)c1	182449391	MLWYNKCWYGTYMB-CYBMUJFWSA-N	300.402	3.318	10	20	DGCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(F)cc1F	183418043	UJPCFPZACJTXFG-SNVBAGLBSA-N	321.323	3.045	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cccc(CN(C)C)c2)c1	184936906	NKWAQTGIKILHSK-CQSZACIVSA-N	314.429	3.313	10	20	DGCD	
C[C@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)cc1O	186136294	WUJKBQBVWXWIRB-DETPVDSQSA-N	311.422	3.237	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2COC3(CCCCC3)O2)c1	186230403	AHDNILWWKXMFCB-GJZGRUSLSA-N	305.418	3.427	10	20	DGCD	
Cc1cc(C(=O)Nc2cnns2)c(C)n1-c1ccc(C#N)cc1	188201243	PTXWMCVZFPOORB-UHFFFAOYSA-N	323.381	3.070	10	20	DGCD	
CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc2c(c1)OCO2	255366591	RSZNFOYTYQNEGS-CLTKARDFSA-N	316.744	3.140	10	20	DGCD	
C[C@H](NCCOCC1CC1)c1cc(Br)ccc1O	273569646	KKYIQJRUOCATFG-JTQLQIEISA-N	314.223	3.232	10	20	DGCD	
Cc1cncc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c1	274613819	OACGMNMDQFIQMD-INIZCTEOSA-N	311.429	3.077	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1	277442281	OKIIOJJHGFIRRG-VXGBXAGGSA-N	318.421	3.273	10	20	DGCD	
C[C@H](N[C@H](C)c1nncn1C)c1cc(Cl)c(Cl)cc1O	278664978	IXRGPURGAWVBAL-JGVFFNPUSA-N	315.204	3.239	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCC2([S@@](C)=O)CCC2)cc1	280907974	CTUYIMVSFZOBPN-SPLOXXLWSA-N	308.491	3.095	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	286686922	GKMXXWGWTZMWLJ-QLFBSQMISA-N	303.402	3.321	10	20	DGCD	
CCC(=O)N1CC[C@@H](N[C@@H](CC)c2cccc(Cl)c2O)C1	287771653	RNLWAGYBGULVSC-RISCZKNCSA-N	310.825	3.097	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCCC2=O	293356899	LFHSMHUEBWIEJH-UHFFFAOYSA-N	309.365	3.183	10	20	DGCD	
Cc1ccc(O)c(CNc2cnn(C3CCOCC3)c2C)c1	295043377	DZXYVCBYJZGBNA-UHFFFAOYSA-N	301.390	3.169	10	20	DGCD	
CC[C@H](C)[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)OC	296660272	ZRWRJBDZXFBWCL-FCEWJHQRSA-N	320.477	3.235	10	20	DGCD	
CCN(Cc1nc(C(C)(C)C)no1)c1ccc(OC)c(OC)c1	299289574	SKDIHVWVWJVXSC-UHFFFAOYSA-N	319.405	3.411	10	20	DGCD	
O=C(CCCOCCc1ccccc1)NCc1ccccc1O	299542751	JRPZCIBXGBTBSC-UHFFFAOYSA-N	313.397	3.048	10	20	DGCD	
CCc1nsc(N[C@H](C)c2ccc(N3CCOCC3)cc2)n1	301498208	DMRKCOBMEXNTPX-GFCCVEGCSA-N	318.446	3.110	10	20	DGCD	
CCC1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1	314843756	VQLRZDCAEZXSBM-GQCTYLIASA-N	304.346	3.319	10	20	DGCD	
COc1cc(Cl)cc(CN2CCCC23CCN(C)CC3)c1O	368948954	FXTATXUBLGVNJQ-UHFFFAOYSA-N	324.852	3.114	10	20	DGCD	
Cc1c(CN[C@@H]2CCC[C@@H]2[C@H]2CCCN2)n(C)c2ccccc12	423085840	LOUACBYTVMNRKL-KZNAEPCWSA-N	311.473	3.497	10	20	DGCD	
Cc1c(CNC(=O)N2CC[C@H](C3CC3)C2)n(C)c2ccccc12	472224453	QDRCOGLEVJQINU-HNNXBMFYSA-N	311.429	3.428	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N1CCCc2cccc(O)c21	493817208	HZNGIUKQEJULGI-FPLPWBNLSA-N	300.383	3.150	10	20	DGCD	
COc1cccc([C@@H](CN[C@H]2CCc3cccc(O)c32)OC)c1	527924354	GUAROTVBRGQKJW-FUHWJXTLSA-N	313.397	3.365	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCc3nc(C4CC4)ncc3C2)c1	530105515	RKMAQLBBDUMQPU-UHFFFAOYSA-N	309.413	3.235	10	20	DGCD	
CNCCc1ccccc1C(=O)N1CCCc2ccc(C)cc21	576028358	QILVTKXGVFHZPO-UHFFFAOYSA-N	308.425	3.350	10	20	DGCD	
O=C(c1cccc2c1CCNC2)N1CC2(CC2)c2ccccc21	662611916	IUTIFBZEQCIEAX-UHFFFAOYSA-N	304.393	3.024	10	20	DGCD	
CN(Cc1c(O)cccc1Br)C[C@@H]1CCCOC1	707139471	JDDRNEGVTBQHKN-NSHDSACASA-N	314.223	3.013	10	20	DGCD	
COc1ccc2c(c1)CCCN2C(=O)/C=C\c1cncc(F)c1	729308004	AQOVNLQPDJGGMP-DAXSKMNVSA-N	312.344	3.222	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C(F)(F)C(F)F)cc1	749340364	LRFPKAIQZXLFNP-UHFFFAOYSA-N	320.330	3.392	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(N(C)C)cc1	753966566	ZGVGMQTYMUZCKS-HXUWFJFHSA-N	312.457	3.442	10	20	DGCD	
CCN(CC)c1ccc(CNCc2cc(C(=O)O)co2)cc1	756309721	YGINVBQVHNDDSY-UHFFFAOYSA-N	302.374	3.114	10	20	DGCD	
C/C(=C\C(=O)NCc1cccc(Br)c1O)C1CC1	765732054	OVVIZTZYHLPJNK-VQHVLOKHSA-N	310.191	3.127	10	20	DGCD	
CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)NCc1ccccc1O	770827630	FXSKQVXMPZOGDS-WQVCFCJDSA-N	320.433	3.031	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC3(CCCC3)CC2)c1O	774877681	MPEBPGBORARIFB-UHFFFAOYSA-N	320.389	3.465	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC2(C)CCC(C)CC2)c1O	775031791	SNELFERIVWGEQB-UHFFFAOYSA-N	308.378	3.367	10	20	DGCD	
CC[C@@H](N[C@H](C)C(=O)N(C)C)c1ccc(Cl)c(Cl)c1O	775527613	RTDBAAXGDQWLRQ-LDYMZIIASA-N	319.232	3.216	10	20	DGCD	
C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(Cc2cc(F)ccc2O)C1	779000413	VIIZHNZFPLBWCK-VBQJREDUSA-N	306.425	3.369	10	20	DGCD	
Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)CC2	779513701	IIDSANKTKAPBRE-VCIFKONDSA-N	309.365	3.223	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CSc2ccccc21	779517442	BDNWEWGZKDKFAN-FWPCIQOSSA-N	313.378	3.074	10	20	DGCD	
CN(C)c1ccc(CNc2nncn2-c2ccccc2)cc1F	779520256	MLXMDSLDMSZZPO-UHFFFAOYSA-N	311.364	3.085	10	20	DGCD	
CC(C)(C)Cc1csc(NC(=O)c2cccc(O)c2O)n1	790919313	MGTWZAUMQKWBKR-UHFFFAOYSA-N	306.387	3.395	10	20	DGCD	
CCOC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCC1	790968802	OOLRVOVUESLMRW-AWEZNQCLSA-N	304.434	3.279	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@H](C3CC3)C2)c1O	791560427	VYBPPLHZWBLOOR-QFYYESIMSA-N	323.820	3.248	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]2CCO)c(C(F)(F)F)c1	793093606	PUERVQUZYZELOU-ZDUSSCGKSA-N	316.367	3.118	10	20	DGCD	
COc1ccc(CNC/C=C/c2ccc(F)cc2F)c(O)c1	793387189	AMLAFUMRDQVAHC-NSCUHMNNSA-N	305.324	3.482	10	20	DGCD	
C[C@@H](N[C@H](CO)CC1CCC1)c1cc2c(cc1O)CCCC2	794832876	IDGOOOXNFXXDBU-DYVFJYSZSA-N	303.446	3.473	10	20	DGCD	
C[C@H]1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1	807839268	KFBWYVRBDHSHNA-DTWKUNHWSA-N	318.200	3.130	10	20	DGCD	
Cc1cccc(CN(CCN(C)C)Cc2cccs2)c1O	809745569	BRHFANCOCGEPRA-UHFFFAOYSA-N	304.459	3.326	10	20	DGCD	
OCC1(CN[C@H](CCc2ccccc2)c2ccccc2O)CC1	815585411	HCRNRJYMQRPVBS-GOSISDBHSA-N	311.425	3.428	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)ncn1	815599547	VRWKQVMJXBJVLB-JTQLQIEISA-N	311.307	3.360	10	20	DGCD	
C[C@@H](NCC[C@H]1CCNC1)c1ccc(Cl)c(Cl)c1O	817955130	QTMQFUJSTOSYKQ-NXEZZACHSA-N	303.233	3.349	10	20	DGCD	
CNCCCN(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C	818015499	YFPIJADBVHXSAO-UHFFFAOYSA-N	313.445	3.084	10	20	DGCD	
C[C@H](NCCCCS(C)(=O)=O)c1ccc2ccccc2c1O	818349223	DMLKXXGCJIXPRE-ZDUSSCGKSA-N	321.442	3.021	10	20	DGCD	
CCn1cc(N(CC(C)C)C(=O)/C=C\c2scnc2C)cn1	823430425	MSQKJMUWALQQLU-SREVYHEPSA-N	318.446	3.370	10	20	DGCD	
COc1ccc(CN[C@H]2C[C@H](OC(C)(C)C)C2(C)C)c(O)c1	839191820	KCINWTXROVEREV-HOTGVXAUSA-N	307.434	3.473	10	20	DGCD	
CCOc1c(CNc2ccc(N)cc2)c(C)nn1CC(C)C	841040342	PHSJGYIOZIQYNR-UHFFFAOYSA-N	302.422	3.441	10	20	DGCD	
COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)o1	841296614	WFWKKOKZIOJHRE-OAHLLOKOSA-N	315.373	3.377	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC[C@H]2COc2ccccc2)cc1	841300660	YSVYUGOWNIDQEY-INIZCTEOSA-N	311.385	3.344	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)CCCN3)cc1	841302600	WDJRYUYRWHGKBB-UHFFFAOYSA-N	324.428	3.432	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CCC3(CCCCC3)C2)cc1	841953566	AOPVYAFAIVMVET-UHFFFAOYSA-N	301.434	3.177	10	20	DGCD	
CC[C@H](NCC(C)(C)[C@]1(O)CCCOC1)c1ccc(C)cc1O	850563382	XCJPOEAHLOGZEP-LPHOPBHVSA-N	321.461	3.309	10	20	DGCD	
COc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)on1	851731678	ALZBAZQIYMSMKO-UHFFFAOYSA-N	303.406	3.160	10	20	DGCD	
C[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)CCS1	862346853	ZVTXBWZWMGCEMF-NSHDSACASA-N	300.418	3.358	10	20	DGCD	
CCCNC(=O)c1cccc(CNCc2c(C)cccc2O)c1	876939354	HEYVVPZHEYHFLG-UHFFFAOYSA-N	312.413	3.130	10	20	DGCD	
COc1ccc(CCNCc2ccc(C)cc2O)c(OC)c1	876989509	WHCTXVXYRHGEKI-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
COc1ccccc1O[C@H](C)CNCc1ccc(C)cc1O	877073702	QSQBXBWLGHMXLZ-CQSZACIVSA-N	301.386	3.266	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)c2cnn(C(C)C)c2)c1O	894251780	ZDCIUUFLZIGXCM-ZDUSSCGKSA-N	303.406	3.337	10	20	DGCD	
COc1cc(C)cc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1O	894993312	JCBQXVKQFMAFCO-DLBZAZTESA-N	313.397	3.017	10	20	DGCD	
CCc1cccc(CNC[C@@H]2CCCN2CC(F)(F)F)c1O	896831740	ASCGWHMTQNQXBY-AWEZNQCLSA-N	316.367	3.071	10	20	DGCD	
C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1(Cl)CC1	903449003	VEJFYRUTGYKNGB-CZUORRHYSA-N	309.885	3.105	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1	1319077285	AZOKQCVLQXMBNS-LBPRGKRZSA-N	318.367	3.451	10	20	DGCD	
CCC[C@H](C)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1320490056	JRABPPVGIUCUOS-HNNXBMFYSA-N	307.457	3.198	10	20	DGCD	
CN(C)[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)CC1	1320905420	HWNUVBKJSFLIBH-SFHVURJKSA-N	301.478	3.203	10	20	DGCD	
C[C@@H](CCCC(F)(F)F)NC(=O)NCc1ccc(N)cc1	1338597917	ZATTXUVGMMYMRX-JTQLQIEISA-N	303.328	3.189	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)c2cccnc2S)cc1	57117693	KEGUADCRZGFOLN-UHFFFAOYSA-N	315.442	3.147	10	20	DGCD	
COc1ccccc1OCCN(C)Cc1cc(F)ccc1O	179941534	RLVBTHZIQVLGKZ-UHFFFAOYSA-N	305.349	3.051	10	20	DGCD	
C[C@@H]1Cc2ccccc2CN1C(=O)NCc1ccc(N(C)C)cc1	173217980	WPFGRHHSYURYPW-OAHLLOKOSA-N	323.440	3.409	10	20	DGCD	
CN(C[C@@H]1CC=CCC1)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	402747193	ULJZJWSUQUKIOK-QSYFUGGGSA-N	316.357	3.485	10	20	DGCD	
Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1	65560687	FRMIAFIIVMWMIG-MRXNPFEDSA-N	324.424	3.323	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(Cl)cn1	121476674	SBCWBAAHCCGQLJ-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1nc2ccccc2n1C	120566376	GVEBIOXJEZMEKD-CQSZACIVSA-N	308.429	3.490	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@@H](c1ccco1)N1CCCCC1	180395217	WPVCICPIMYKJKT-INIZCTEOSA-N	318.392	3.441	10	20	DGCD	
COc1ccc(O)c(CN2CCO[C@](C)(c3ccccc3)C2)c1	180203316	OWILCCGNZBSDKA-IBGZPJMESA-N	313.397	3.148	10	20	DGCD	
CC[C@H](C)OCC(=O)N(Cc1ccco1)Cc1ccccc1O	124087574	NPCWBEAPEXGLCC-AWEZNQCLSA-N	317.385	3.329	10	20	DGCD	
CC[C@@H](c1ccncc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	181108401	RUSSNRLKVYIQQS-ZKKXHLJNSA-N	312.369	3.116	10	20	DGCD	
COc1cccc([C@@H](C)C(=O)NCc2ccc(N(C)C)cc2)c1	194389740	ODANDTPOPHGWPK-CQSZACIVSA-N	312.413	3.181	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2CCN(C3CCCCC3)C2=O)cc1C	131602212	MCYBOVZYRYAIQM-QGZVFWFLSA-N	316.445	3.032	10	20	DGCD	
CCC[C@@H](CC)NC(=O)NCc1ccc2c(c1)CCCN2C	195737472	QYAQFVKLMIOSLS-MRXNPFEDSA-N	303.450	3.447	10	20	DGCD	
Cc1ccc(C)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	190905015	MQAJPKRVQYKQPD-ZDUSSCGKSA-N	314.385	3.467	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1	92066055	UECOEFAOGXPMQS-YLJYHZDGSA-N	313.489	3.201	10	20	DGCD	
Cc1ccc(CCC(=O)NCCc2ccc(O)c(O)c2)c(C)c1	97002233	ZSORZHVTCXDWPX-UHFFFAOYSA-N	313.397	3.006	10	20	DGCD	
CC(C)[C@H](CNC(=O)NCc1ccccc1O)c1cccnc1	267651758	WFVYADPBDZCNLT-INIZCTEOSA-N	313.401	3.026	10	20	DGCD	
C[C@@H](CN(C)Cc1cc2c(cc1O)OC[C@@H]2O)C1CCCCC1	530109163	WTVOKDWRFHKUPO-UGSOOPFHSA-N	319.445	3.466	10	20	DGCD	
CCCOc1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1	269216067	DVRQDMPULVCWBA-AWEZNQCLSA-N	312.413	3.478	10	20	DGCD	
Cc1ncc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1	264585182	DTTIDWNSFKMESH-OAHLLOKOSA-N	318.442	3.338	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cccc(CO)c1	270541370	XMFABWBSFXJASO-CYBMUJFWSA-N	302.393	3.235	10	20	DGCD	
COc1ccc2c(c1)[C@H](C(=O)N(C)Cc1ccccc1O)CC2	277607273	IDAVEANUVIESSA-MRXNPFEDSA-N	311.381	3.089	10	20	DGCD	
Cc1cccc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O	278436450	UZMCAWBXYGGHOU-UKRRQHHQSA-N	320.433	3.046	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2cccc(-n3cncn3)c2)c1	363859276	FJTZEVFPAXLDKD-CQSZACIVSA-N	308.385	3.132	10	20	DGCD	
COc1cc(O)c(CN(C)Cc2cccc(C)c2)cc1OC	271075401	GSAWVSBGBZJOAS-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)COCC(F)(F)F)c1	273585112	NNIAIAGTRDNOHR-VHSXEESVSA-N	307.312	3.019	10	20	DGCD	
CC(C)[C@@H](C)C(=O)NCc1cccc(Br)c1O	277427170	DJIMNFLMKCRVPH-SECBINFHSA-N	300.196	3.063	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H]2c2ncc[nH]2)c1O	375358931	ZDCQMYRNLVNSIV-GFCCVEGCSA-N	307.781	3.114	10	20	DGCD	
CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccccc1O	285859568	ZQMHENDQORFBRN-CKEIUWERSA-N	304.434	3.126	10	20	DGCD	
CC[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O	286002645	HPUCNSFUTCHBLS-NVXWUHKLSA-N	321.367	3.315	10	20	DGCD	
CCCCN(Cc1n[nH]c(C(C)C)n1)Cc1ccccc1O	292786354	JUTPSYJHNBTJBJ-UHFFFAOYSA-N	302.422	3.436	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnn(C)c1Cl	296121453	RXDMBOFGIYIFBY-UHFFFAOYSA-N	321.808	3.222	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@H](OC)C1CC1	297471729	LRHAUFFKTZFWHN-KRWDZBQOSA-N	320.433	3.129	10	20	DGCD	
CC[C@H]1CC[C@H](C)N1Cc1ccc(N2CCOCC2)c(F)c1	809768068	BJICKYNCINSRST-HOCLYGCPSA-N	306.425	3.425	10	20	DGCD	
COCC1(CNCc2ccc3ccccc3c2O)CCOCC1	816617342	VWVZFTARQNHHIN-UHFFFAOYSA-N	315.413	3.078	10	20	DGCD	
CC[C@H](C)CONC(=O)NCc1ccc(N(CC)CC)cc1	813590998	HDYPHCJBEPKALE-AWEZNQCLSA-N	307.438	3.310	10	20	DGCD	
CN1CCCc2cc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCN3)ccc21	817901767	YHSDSKCOXUXYOW-GBESFXJTSA-N	313.489	3.079	10	20	DGCD	
C[C@@H](NC[C@H]1CCCN1)c1ccc(N2CCCCC2)c(F)c1	817952800	SUHLOQFKPPKBLB-GDBMZVCRSA-N	305.441	3.219	10	20	DGCD	
C[C@@H](c1ccccc1)[C@@H](O)CNCCCSc1nccs1	819064238	UUPDTJMYMHUHJF-ZFWWWQNUSA-N	322.499	3.380	10	20	DGCD	
Cc1c(C)n(C)c2ccc(OC(=O)[C@@H](C)c3cnn(C)c3)cc12	817760995	JEIUHYBXVBYRJO-LBPRGKRZSA-N	311.385	3.238	10	20	DGCD	
CC(C)C[C@H](CN)N[C@H](C)c1cccc(C(F)(F)F)c1O	817959887	WHVKONDROZCXQH-GHMZBOCLSA-N	304.356	3.435	10	20	DGCD	
CCC(CC)(CCO)NCc1ccc(Br)cc1O	825784745	NMCMSFXAAVCMFG-UHFFFAOYSA-N	316.239	3.186	10	20	DGCD	
COc1ccc(N2CCCN(C3CC(OC(C)C)C3)CC2)cc1	838798474	GQCCKNVKVAJWAO-UHFFFAOYSA-N	318.461	3.163	10	20	DGCD	
CC(C)N(CCC(=O)O)Cc1ccc(N2CCCCC2)cc1	833496537	AMWARPFJSRQIIU-UHFFFAOYSA-N	304.434	3.362	10	20	DGCD	
CCC1(CN[C@@H](C)c2ccc(Br)cc2O)COC1	834898218	AFMNUCKKIBUNSP-JTQLQIEISA-N	314.223	3.232	10	20	DGCD	
CC[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)F	836512282	NCBVIYJWOYDSRI-CYBMUJFWSA-N	312.360	3.114	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@@H]2C[C@H]12	838478916	NOAUBGKNMGBAHJ-COXVUDFISA-N	301.434	3.049	10	20	DGCD	
CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(N(C)C)cc1	742442984	SCCIJXQWNWRRLA-KRWDZBQOSA-N	315.461	3.296	10	20	DGCD	
CNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C	918019912	KJYWSWOWTHQYJJ-UHFFFAOYSA-N	307.191	3.216	10	20	DGCD	
CNC(=O)Oc1cccc(NCc2ccc(N(C)C)cc2C)c1	840950235	KZUMZPQGAZNREM-UHFFFAOYSA-N	313.401	3.391	10	20	DGCD	
COc1ccc(N(C)Cc2csc(C(=O)O)c2)c(OC)c1	846251161	CHFYWXFNGULSNO-UHFFFAOYSA-N	307.371	3.100	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](O)c2ccc(C)o2)cc1F	741262803	WOLWVMNZQVMWJF-KRWDZBQOSA-N	320.408	3.397	10	20	DGCD	
COc1ccc(CN[C@@H]2CCc3ccccc3NC2=O)cc1C	848561577	ZIMNIBGXOSDSEO-QGZVFWFLSA-N	310.397	3.047	10	20	DGCD	
CN(Cc1c(O)ccc2ccncc12)C[C@](C)(O)c1ccccc1	842622407	AWCFAVREYLOIQC-FQEVSTJZSA-N	322.408	3.280	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1C	849348901	LLLMUIGWZBUODX-HNNXBMFYSA-N	320.433	3.108	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N=c3cc[nH]cc3)c2C)c1	915189888	ADFPGLRTOLGYBE-UHFFFAOYSA-N	305.381	3.472	10	20	DGCD	
Cc1cc(C)cc([C@H](C)NC(=O)NCCc2ccc(N)cc2)c1	841797519	SDGXYRMWBWCEKE-HNNXBMFYSA-N	311.429	3.489	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNCc2cccc3c2CCC3)cc1	844901742	JTSXMHBMZIUBGG-FQEVSTJZSA-N	309.457	3.031	10	20	DGCD	
COc1cc(CNC[C@@H]2CCC[C@H](O)C2)c(O)c(C(C)(C)C)c1	850155606	DOWLJLFTLOBSEU-HIFRSBDPSA-N	321.461	3.339	10	20	DGCD	
c1cc2c(cc1CNC[C@@H]1CCOC3(CCC3)C1)CCCO2	922160760	ZVBCVKXHNWEDDS-MRXNPFEDSA-N	301.430	3.451	10	20	DGCD	
C[C@@H]1Cc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2O1	854324921	SSJIESJVVUTKLH-CQSZACIVSA-N	324.424	3.348	10	20	DGCD	
C[C@@H](NCCN1Cc2ccccc2C1)c1ccc(F)cc1O	756481331	WWCJZRQUCUKTEM-CYBMUJFWSA-N	300.377	3.198	10	20	DGCD	
C[C@H](NC[C@H](CO)Cc1ccccc1)c1ccc(N(C)C)cc1	765289823	ORTGAOUGGPPRKO-FUHWJXTLSA-N	312.457	3.254	10	20	DGCD	
CCOc1ccc(CN2CCC[C@@H](N3CCCC3)CC2)c(O)c1	769467703	ZRUYYRGGLIYSOG-QGZVFWFLSA-N	318.461	3.241	10	20	DGCD	
O=C(/C=C/c1ccco1)NCc1cccc(Br)c1O	765765392	RRZWNYQWPKCWFL-VOTSOKGWSA-N	322.158	3.077	10	20	DGCD	
CCC(CC)(CN[C@H](C)c1cc(F)cc(F)c1O)C(=O)OC	760877829	ABUBMTJCQGAWJD-SNVBAGLBSA-N	315.360	3.300	10	20	DGCD	
Cc1cccc(O)c1CN1CCN([C@@H](C)c2nccs2)CC1	877380380	IPNPTWBYAFTCRU-AWEZNQCLSA-N	317.458	3.036	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C2CC2)cc1	772569182	WRAWQYQEQJNNKI-UHFFFAOYSA-N	312.369	3.339	10	20	DGCD	
CCC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O	775058977	FYOVGQBVOQCXGE-CYBMUJFWSA-N	308.378	3.464	10	20	DGCD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)o1	778926725	FNODIFLCHMZMQY-RISCZKNCSA-N	315.369	3.063	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc2ccccc12	773744376	ALKUPJFNVDNTTI-LBPRGKRZSA-N	322.364	3.007	10	20	DGCD	
CCCN(Cc1ccccc1O)c1nnc(CC)c(CC)n1	1116779084	GWJDBZSSNXVGEK-UHFFFAOYSA-N	300.406	3.119	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)NCc2cc(F)cc(F)c2O)n[nH]1	883102168	IJCDXUHPEAMFDH-DTWKUNHWSA-N	310.348	3.153	10	20	DGCD	
C[C@@H]1CCCC[C@H]1Cn1cc(COc2ccc(N)cc2)nn1	881324884	KZWVOUITNGMTTC-KGLIPLIRSA-N	300.406	3.266	10	20	DGCD	
Cc1cccc([C@@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	773748294	JLUXKJWPLAJLHL-UONOGXRCSA-N	313.397	3.257	10	20	DGCD	
CCn1ncc(C(=O)NCc2cc(Cl)ccc2O)c1C1CC1	880540431	ZTFBWKXFTIESTA-UHFFFAOYSA-N	319.792	3.069	10	20	DGCD	
COc1ccc(CNC2CCN(c3nccs3)CC2)cc1C	781472822	QWRAXKQHZTYERX-UHFFFAOYSA-N	317.458	3.219	10	20	DGCD	
CCN(C(=O)/C=C\c1cnccc1C)c1ccccc1C(=O)OC	784005813	AFZXTKXWQBSILS-KTKRTIGZSA-N	324.380	3.243	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC(C(=O)OC(C)C)CC1	895828079	JBVQDMIKAXOQPW-UHFFFAOYSA-N	318.461	3.225	10	20	DGCD	
CC/C(C)=C(\C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	780859277	YVNLXHGCPQHBQP-FOCLMDBBSA-N	316.445	3.228	10	20	DGCD	
CC(C)[C@H]1N(Cc2cc(F)cc(F)c2O)CC12CCOCC2	894999572	UXQSXKRBHGSKSF-MRXNPFEDSA-N	311.372	3.307	10	20	DGCD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N(C)C)cc1C	793517957	YLBUCLWAVRSDPW-RDTXWAMCSA-N	320.477	3.255	10	20	DGCD	
CN(Cc1ccon1)Cc1ccc(N(C)C)cc1C(F)(F)F	792828632	NCPDNSLWHHNKTJ-UHFFFAOYSA-N	313.323	3.391	10	20	DGCD	
COc1cc(CN2CCC=C(c3ccncc3)C2)c(O)cc1C	795736023	BISLOFBBMCRAAE-UHFFFAOYSA-N	310.397	3.394	10	20	DGCD	
CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(C(=O)O)o1	1140947095	TYLREIXDOLZIHO-UHFFFAOYSA-N	314.385	3.210	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ccc([S@](C)=O)cc1	1320199466	GYPJNKFQLCRGJY-QFIPXVFZSA-N	315.438	3.385	10	20	DGCD	
c1cc(-c2nnc(NCc3ccc(N4CCCC4)cc3)o2)ccn1	1321164094	VHXJAXNFWZHRNX-UHFFFAOYSA-N	321.384	3.344	10	20	DGCD	
CCOc1ccc(CNc2ccc(C(=O)NC)cc2C)c(O)c1	1323298382	RHUKFVHKLPINSV-UHFFFAOYSA-N	314.385	3.071	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@H]1C[C@H](C)c2c(C)ccc(O)c21	1324965649	RPVHMUMMIWKTLX-KKUMJFAQSA-N	318.461	3.391	10	20	DGCD	
CN1CCC[C@@H](CCNCc2ccc(N3CCCC3)cc2)C1	1348075602	VLLWBDAOAIDHKD-SFHVURJKSA-N	301.478	3.108	10	20	DGCD	
COc1cccc(CNC(=O)[C@@H](c2ccccc2)C2CC2)c1O	158643599	WSODJQWHMYRFFE-KRWDZBQOSA-N	311.381	3.211	10	20	DGCD	
Cc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C	152977852	AXWFMWAESQZYTG-LBPRGKRZSA-N	314.385	3.467	10	20	DGCD	
CCc1nc(CSc2ncc(-c3ccccc3)n2C)no1	52890159	QMHPPSVJQAZAHO-UHFFFAOYSA-N	300.387	3.325	10	20	DGCD	
COc1cccc(CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)c1O	105652326	DEVNAMZHKVIUSA-UHFFFAOYSA-N	324.380	3.429	10	20	DGCD	
C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	57660744	OALZIIDHFURDHH-CQSZACIVSA-N	301.434	3.011	10	20	DGCD	
CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C)c(O)c1O	179512484	HVPNLGVSPKQRCT-OAHLLOKOSA-N	314.385	3.415	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCOc2ccccc21	115281309	NIHHIEGHWXIFIS-GOSISDBHSA-N	324.424	3.244	10	20	DGCD	
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccccc2O)o1	179562315	UFQHAXTYXLHSDG-QGZVFWFLSA-N	321.380	3.383	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)c2cc(C)cc(C)c2)c1	182392171	DMFRLUNHPCCALU-IFXJQAMLSA-N	315.413	3.402	10	20	DGCD	
COC(=O)N1CCC([C@H](C)N[C@@H](C)c2ccc(F)cc2O)CC1	186776188	LWBSPINMLFKSGD-RYUDHWBXSA-N	324.396	3.049	10	20	DGCD	
CC(C)[C@H]1CCCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	316656091	WIQYJKMDQIGLEN-STMXVASLSA-N	304.346	3.317	10	20	DGCD	
CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1ccc(C)c(O)c1O	182824955	LBYYUVCEAFQYKR-KGLIPLIRSA-N	321.417	3.072	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)c2cccs2)c1	131089149	OMZQRMKXJFRMJW-QWRGUYRKSA-N	305.399	3.443	10	20	DGCD	
CCCc1[nH]ncc1C(=O)N(CC)Cc1ccc(N(C)C)cc1	133744808	ARPQWOMEMMDUBR-UHFFFAOYSA-N	314.433	3.091	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCN(C)c3ccccc32)c1O	320421524	JQAUHRZGCQQNKS-UHFFFAOYSA-N	314.360	3.190	10	20	DGCD	
CCOc1cccc(CNC[C@@]2(N(C)C)CCC[C@H](C)C2)c1O	236939817	LTAJYMVNPMWJKJ-HNAYVOBHSA-N	320.477	3.391	10	20	DGCD	
Cc1cccc(CNc2ccc(OCC(C)(C)O)cc2)c1O	272029974	YQKGPNCNJCNMSZ-UHFFFAOYSA-N	301.386	3.462	10	20	DGCD	
C[C@@H](OC(=O)c1cccc(O)c1O)c1nccn1-c1ccccc1	805532903	UWQUHECZEWRSAP-GFCCVEGCSA-N	324.336	3.202	10	20	DGCD	
Cc1cc(C)nc(C(=O)NCCCSc2nccs2)c1	801155584	YESZRQGOWFTDGU-UHFFFAOYSA-N	307.444	3.067	10	20	DGCD	
Cc1cc(CN2CCC(C3(C)OCCO3)CC2)ccc1N(C)C	293708496	DLVPEOBQENVGEM-UHFFFAOYSA-N	318.461	3.036	10	20	DGCD	
COCc1cc(NCc2cccc(C)c2O)cc(C(=O)OC)c1	292220451	ADEFLDVPFNBYJU-UHFFFAOYSA-N	315.369	3.246	10	20	DGCD	
CCCN(CC)C(=O)c1csc(Cc2ccc(N)cc2)n1	817910653	XOAWMGBPSUPOFT-UHFFFAOYSA-N	303.431	3.188	10	20	DGCD	
Cc1cc(O)c(CN[C@H](c2cccnc2)C(C)(C)CO)cc1C	816637568	IALAZRRXCSSYKB-GOSISDBHSA-N	314.429	3.253	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)nc1	817944302	ZASUBBGCJZSUED-WBMJQRKESA-N	318.852	3.152	10	20	DGCD	
COCCCOc1ccccc1NC[C@H](O)Cc1ccccc1	819421433	JDQNQWMQFUBKOZ-QGZVFWFLSA-N	315.413	3.117	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN[C@@H]2CCOC2)cc1	818237376	ZUISCCNTMVJNLR-OAHLLOKOSA-N	302.443	3.263	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)NCC3CCCC3)cs2)cc1	817914513	ZBBOUOKEVZBFQF-UHFFFAOYSA-N	315.442	3.236	10	20	DGCD	
CCOc1ccc(O)c(CN2CC[C@@H](Oc3ccccc3)C2)c1	827639571	KMBNGLKIPLXOLU-GOSISDBHSA-N	313.397	3.444	10	20	DGCD	
CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccccc2O)cn1	827930187	FACVAMWZXUCQPV-GFCCVEGCSA-N	300.358	3.065	10	20	DGCD	
Oc1cccc(Cl)c1CN[C@@H]1CCO[C@@H](c2ccccn2)C1	825087246	YJFOOUJKIYPXCY-SJKOYZFVSA-N	318.804	3.451	10	20	DGCD	
COc1cc(CN2CCC[C@H]([C@H](C)O)C2)c(O)c(C(C)(C)C)c1	825451663	XGIRRIBGBIMQRU-KBPBESRZSA-N	321.461	3.291	10	20	DGCD	
CC(C)N1C[C@H](NCc2cc(-c3ccccc3)ccc2O)CC1=O	738438741	BPLXDZDKXPGRAZ-GOSISDBHSA-N	324.424	3.158	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1cccc([N+](=O)[O-])c1C	830395244	WOCBXDYPUGVXGU-UHFFFAOYSA-N	305.286	3.336	10	20	DGCD	
CN(CCCOc1ccc(F)cc1)C(=O)c1cc(O)cs1	732270389	ADJPEHZQXJNLEH-UHFFFAOYSA-N	309.362	3.134	10	20	DGCD	
CC[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(F)F	836512285	NCBVIYJWOYDSRI-ZDUSSCGKSA-N	312.360	3.114	10	20	DGCD	
Cc1cc(O)c(CNc2c(Br)c(C)nn2C)cc1C	902231530	WTXBKKDMMQOQQP-UHFFFAOYSA-N	324.222	3.426	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cn1ccc2ccccc21	734405852	ILZQVGNZOUUDRW-UHFFFAOYSA-N	321.424	3.332	10	20	DGCD	
COc1ccc([C@@H](CN)CN(C)c2ccc(OC)c(F)c2)cc1	842473481	VOVZBXBPVUFFQZ-AWEZNQCLSA-N	318.392	3.022	10	20	DGCD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)N(C)Cc2ccccc2O)o1	918077979	KWLWZBLOXMOHMT-WFASDCNBSA-N	314.385	3.450	10	20	DGCD	
C[C@H]1CCC[C@@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1	743810680	HIVWBNALYVBWHJ-CABCVRRESA-N	303.450	3.473	10	20	DGCD	
CCN(CC(=O)N(C)Cc1cccs1)c1ccc(OC)cc1	746664190	YOXQVYNMSRDIHV-UHFFFAOYSA-N	318.442	3.242	10	20	DGCD	
CO[C@H]1c2ccccc2C[C@H]1NCc1cc(Cl)ccc1O	840956061	IMNRTCNFDHKZBK-WBVHZDCISA-N	303.789	3.448	10	20	DGCD	
COc1cc(Cl)cc(CN[C@@H]2CCCN3CCCC[C@@H]23)c1O	848927797	NUFZOEKVJKYSIN-CABCVRRESA-N	324.852	3.161	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H]2CCN(C3CCCCC3)C2)c1O	850538666	JQIFLJISWVTSLR-LSDHHAIUSA-N	318.461	3.458	10	20	DGCD	
CC(C)(C)c1cnc(COC(=O)/C=C/c2ccc(O)c(O)c2)o1	759590840	ATYFHGGKRZRLSP-FNORWQNLSA-N	317.341	3.140	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2ccccc2[N+](=O)[O-])cc1F	858097972	CFOBYKBZTZHKSZ-UHFFFAOYSA-N	321.327	3.229	10	20	DGCD	
CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(O)cs1	758311471	NEKROSTYLDSUKA-ZDUSSCGKSA-N	316.426	3.325	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@H](C(=O)O)[C@H](C)C2)cc1F	863739237	JMFIKRRARSGYCG-HIFRSBDPSA-N	322.424	3.215	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@H]3C[C@@H]3C2)cc1-n1c(C)cc(C=O)c1C	862557828	KDQAWTDPQLUTQA-IAGOWNOFSA-N	322.408	3.307	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(C)c1F	763422669	UEGJCQBOUIWTHM-UHFFFAOYSA-N	300.377	3.439	10	20	DGCD	
Cc1ccc(CN[C@H](CC(=O)N(C)C)c2ccccc2)c(O)c1	876983959	BAZHOMFSWXQLLH-QGZVFWFLSA-N	312.413	3.010	10	20	DGCD	
CCOc1ccc(CN[C@@H](CCOC)c2ccco2)c(O)c1	779990515	HIBNHZORYGBTEZ-HNNXBMFYSA-N	305.374	3.251	10	20	DGCD	
CC[C@H](NCCCO[C@H]1CCOC1)c1cc(Cl)ccc1O	775514164	XJSQTZSFRXVIDX-ZFWWWQNUSA-N	313.825	3.282	10	20	DGCD	
CN(c1ccc(CNC(=O)c2ccncn2)cc1)C1CCCCC1	778607950	TXEAISHZRZFKOU-UHFFFAOYSA-N	324.428	3.176	10	20	DGCD	
COC(=O)c1ccccc1CN(C)c1ccc(OC)c(OC)c1	784137039	JMOUOSBZUROFRF-UHFFFAOYSA-N	315.369	3.127	10	20	DGCD	
CC(C)[C@@H](F)C(=O)Nc1c(-c2ccccn2)nc2ccccn12	784130822	YCLNYEXNDTVQGX-CQSZACIVSA-N	312.348	3.329	10	20	DGCD	
C[C@]1(CNCc2c(O)ccc(Cl)c2F)CCO[C@H]1C1CC1	790990924	NIYHYKLIBAZOLH-JKSUJKDBSA-N	313.800	3.480	10	20	DGCD	
C[C@@H](O)C[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1O	790934595	NRZXYHORKYGJCC-ZWNOBZJWSA-N	301.789	3.310	10	20	DGCD	
C[C@H](CCC1CC1)NCc1ccc(N2CCN(C)CC2)c(F)c1	1325620439	YAWFIGRMACCECG-OAHLLOKOSA-N	319.468	3.246	10	20	DGCD	
CC1(C)C[C@H](NCc2c(O)cccc2Br)CCO1	706875018	KWPYYSDHPZFZEU-SNVBAGLBSA-N	314.223	3.202	10	20	DGCD	
NC(=O)CCc1ccc(NCc2cc(Cl)c(F)cc2O)cc1	1324276357	XIKMYBVQUVGKJH-UHFFFAOYSA-N	322.767	3.215	10	20	DGCD	
CCOc1ccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)c(O)c1	1254018279	GXTBNBVCIDGQJQ-UHFFFAOYSA-N	314.341	3.215	10	20	DGCD	
Nc1ccc(CNCc2cccc(NC(=O)C3CCC3)c2)cc1	1335289300	MFUCBDFLVKVVOP-UHFFFAOYSA-N	309.413	3.297	10	20	DGCD	
Cn1c2c(c3cc(OC(=O)[C@@]4(F)CCOC4)ccc31)CCCC2	1344837624	TZSZSRZHGQQZRK-GOSISDBHSA-N	317.360	3.091	10	20	DGCD	
CC1(C)CCN(Cc2ccc(N3CCCC3)cc2)CC[S@]1=O	1347794068	OWUATYYAFQSWLS-JOCHJYFZSA-N	320.502	3.020	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1c1ccncc1	1351666964	SDVYTEUCHWKJAW-DLBZAZTESA-N	322.408	3.086	10	20	DGCD	
C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(N)cc1	1353394271	XHDHBQPDBWEFCK-SCLBCKFNSA-N	309.413	3.392	10	20	DGCD	
COc1cccc(CN[C@H](C)c2cc(C(=O)O)ccc2O)c1C	1607323195	CDMIUFQNVXZDCF-GFCCVEGCSA-N	315.369	3.258	10	20	DGCD	
COc1ccc(N(Cc2cncc(C(=O)O)c2)CC(C)C)cc1	1607268400	RILLANXUJCDTKL-UHFFFAOYSA-N	314.385	3.451	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@]2(C(=O)O)CCC[C@@H]2C)cc1	1776861170	JWIQEYORFKKQOR-KSSFIOAISA-N	304.434	3.266	10	20	DGCD	
CCCCNC(=O)C1(NCc2cccc(C)c2O)CCCCC1	154628743	BSXTYABTIYOTDZ-UHFFFAOYSA-N	318.461	3.409	10	20	DGCD	
COc1ccc(N(C)Cc2cn3cccnc3n2)cc1Cl	121956998	YUWSOQUHYCYDHJ-UHFFFAOYSA-N	302.765	3.028	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCCCC(C)(C)CO	122737191	KSLRHLVJPRGIHP-UHFFFAOYSA-N	322.449	3.113	10	20	DGCD	
Cc1ccc(O)c(CN2CCc3nc(C(C)(C)C)ncc3C2)c1	143384023	IQJPWGBINYWOEX-UHFFFAOYSA-N	311.429	3.346	10	20	DGCD	
CN(Cc1ccccc1O)c1ccnc(Cc2ccccc2)n1	167356457	BLVBFHGFCWLYPD-UHFFFAOYSA-N	305.381	3.409	10	20	DGCD	
Cc1cc(C(=O)OCC[C@H]2CCCO2)c(C)n1-c1ccccn1	177925115	JOUMRBPFFBTEFG-OAHLLOKOSA-N	314.385	3.215	10	20	DGCD	
COC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1ccco1	184561364	NDMVYEUGSFUXDR-CQSZACIVSA-N	323.776	3.319	10	20	DGCD	
COc1cccc(NCc2ccc(N(C)C)cc2)c1[N+](=O)[O-]	185118260	AIJKUBLQCFATEG-UHFFFAOYSA-N	301.346	3.282	10	20	DGCD	
CN(C)c1ccc(CNc2nnc(-c3cccs3)o2)cc1	186010369	PIHRROPWMPBDRP-UHFFFAOYSA-N	300.387	3.476	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H]2CCCO[C@@H]2CC(C)C)c1O	186397608	DIYXDWXXJITXSD-IAGOWNOFSA-N	323.408	3.417	10	20	DGCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cc(C)ccc1F	189424448	ODVZFORWPSCJOI-UHFFFAOYSA-N	309.362	3.203	10	20	DGCD	
CNC(=O)c1cccc(CN(C)c2ccc(OC(C)C)cc2)c1	191593182	ZWHFVIYSBMNTTL-UHFFFAOYSA-N	312.413	3.470	10	20	DGCD	
C[C@H](O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	193369279	KRMBLZNCYQUMSF-ZFWWWQNUSA-N	318.442	3.202	10	20	DGCD	
CN1CCCc2cc(CNc3ncc([N+](=O)[O-])s3)ccc21	195511756	CDUHTUOKSVHTMI-UHFFFAOYSA-N	304.375	3.046	10	20	DGCD	
Cc1ncccc1/C=C1/SC(=S)N(c2cccnc2)C1=O	255170526	IGTBEQHQLBWUHC-MDWZMJQESA-N	313.407	3.191	10	20	DGCD	
COc1ccc([C@@H](CN(C)C)N[C@@H](C)c2ccccc2O)cc1	284241346	FCOVWOLSLLVQHB-KBXCAEBGSA-N	314.429	3.354	10	20	DGCD	
CCOC(=O)N1CCC(N[C@@H](C)c2c(C)cc(C)cc2O)CC1	284265994	WNFACBWPOOTLHK-AWEZNQCLSA-N	320.433	3.281	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCC[C@@H](O)c2ccccc2)c1	289538160	WPMYQHOAVQNDJQ-SUMWQHHRSA-N	301.386	3.175	10	20	DGCD	
COCCOc1ccccc1CN[C@@H]1CCc2cccc(O)c21	296200082	YXPNDJFPOXCKIH-MRXNPFEDSA-N	313.397	3.195	10	20	DGCD	
C[C@H](NCC[C@@H](C)CCO)c1ccc(Br)cc1O	296631615	BKGKROMZOPLFJZ-MNOVXSKESA-N	316.239	3.214	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1cccc(N3CCOCC3)c1)CC2	297368702	QJMQHRDOXKCEFB-SFHVURJKSA-N	324.424	3.006	10	20	DGCD	
O=C1COc2c(NCc3c(O)ccc(Cl)c3F)cccc2N1	377765587	DGSMIXSHFJVTJL-UHFFFAOYSA-N	322.723	3.128	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCCC1(F)F	450050996	VHWNCIYSKCKSBB-ZDUSSCGKSA-N	324.371	3.304	10	20	DGCD	
CCOCC(C)(C)CNCc1ccc(Br)cc1O	691487716	HYUILNNFUDKSIR-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cn2ccccc2n1	730589248	MIQGEDOCLPYGTC-UHFFFAOYSA-N	309.369	3.092	10	20	DGCD	
COCCC1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1	746148826	SWDUJQRYPZQHLF-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnn(C(C)C)c2)c1	747557006	RVZGKSKXDYURIJ-LLVKDONJSA-N	318.377	3.061	10	20	DGCD	
O=C(CCc1ccc(OC(F)F)cc1)NCc1ccccc1O	748346696	UAVYADNHQRARDU-UHFFFAOYSA-N	321.323	3.243	10	20	DGCD	
COc1ccc(N2CCC(NCc3ccoc3C)CC2)cc1	765395157	DZSDKQYJQUGLTR-UHFFFAOYSA-N	300.402	3.355	10	20	DGCD	
Cc1cc(O)c(CN(C)CCN(C)C(=O)OC(C)(C)C)cc1C	768460790	PTRCNCFKEFDXKV-UHFFFAOYSA-N	322.449	3.308	10	20	DGCD	
CC(C)(C(=O)NCCCSc1nccs1)c1cccnc1	770490771	PIZYBANTTUWLCG-UHFFFAOYSA-N	321.471	3.114	10	20	DGCD	
CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1C	773028032	XOGTZHJFHLJCJY-ZDUSSCGKSA-N	314.433	3.101	10	20	DGCD	
CCOc1ccc(O)c(CN[C@H](C)[C@@H](O)c2ccc(C)cc2)c1	796492870	YUJSNUQILYSAJE-AUUYWEPGSA-N	315.413	3.311	10	20	DGCD	
C[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)c(F)c1	798393722	YEVYUYRIRWFJRI-GXTWGEPZSA-N	307.413	3.127	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)CC1(O)CCCC1	801547848	BJGUYNPZGPSWAQ-UHFFFAOYSA-N	305.418	3.216	10	20	DGCD	
COCCCONC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	805040722	VNOSPTQEQLGWFI-UHFFFAOYSA-N	316.401	3.100	10	20	DGCD	
COc1ccc(CNc2cc([N+](=O)[O-])ccc2C(C)=O)c(O)c1	808057882	GIKPXZDPROVJLF-UHFFFAOYSA-N	316.313	3.124	10	20	DGCD	
CS[C@H](CO)[C@H](C)N[C@H](C)c1cc(Cl)cc(C)c1O	808697805	WATORWZNKLSGCU-GBIKHYSHSA-N	303.855	3.117	10	20	DGCD	
Cc1cccc(CNC[C@@H](CO)c2ccc(Cl)cc2)c1O	809779034	BJXUZFBYFRHFHM-HNNXBMFYSA-N	305.805	3.220	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNc1cccc(-n2ccnn2)c1	816524410	DRCJDZCEVMSZPH-UHFFFAOYSA-N	318.739	3.378	10	20	DGCD	
OC[C@@H](CNCc1cc(Cl)c(F)cc1O)C1CCCCC1	816649749	JJQWAQKHLPSBMM-CYBMUJFWSA-N	315.816	3.463	10	20	DGCD	
Cc1cc([C@@H](C)NC[C@H](N)c2ccc(N(C)C)cc2)c(C)o1	817939213	AMMIEAOHFFGXKI-ACJLOTCBSA-N	301.434	3.313	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3CC[C@H]3C3CC3)C2)cc1	818341824	HINNPCYXYFTJHB-CCKFTAQKSA-N	300.446	3.300	10	20	DGCD	
CCC(CC)n1nc(C(=O)NCCc2ccc(N)cc2)cc1C	818544884	VQXCGBNRSFKERG-UHFFFAOYSA-N	314.433	3.107	10	20	DGCD	
C/C(=C/C(=O)N1CCCc2cc(F)cc(C)c21)c1cnccn1	826072933	XQXGLKKNOGAPCS-XFXZXTDPSA-N	311.360	3.307	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCCC[C@@H]1c1noc(C2CC2)n1	828290743	JMBKKTNMKFIFIC-LLVKDONJSA-N	319.386	3.082	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@@H]2CCCOC2)c1O	828893375	JVQRJPQCOSMDOO-DYVFJYSZSA-N	321.392	3.125	10	20	DGCD	
CCC[C@@H]1CCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	837831617	HBPPCLHANMBNBA-DGCLKSJQSA-N	306.358	3.040	10	20	DGCD	
C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)CC(F)(F)F	840245762	YBHQWURLYXYRGJ-NSHDSACASA-N	317.355	3.140	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCNC[C@H]1c1ccccc1	841101178	RATZCOYAEMSDPQ-INIZCTEOSA-N	320.795	3.331	10	20	DGCD	
C[C@H](Cc1ccco1)NC(=O)NCc1cc(Cl)ccc1O	844882907	UOAPHVWTTMTBJJ-SNVBAGLBSA-N	308.765	3.069	10	20	DGCD	
COc1cccc([C@H](C)N[C@@H](CO)[C@H](C)c2ccccc2)c1O	846152962	WADIAJXSCKQOSC-KEYYUXOJSA-N	315.413	3.216	10	20	DGCD	
COCCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863160890	CZHPZVZTSYASES-UHFFFAOYSA-N	300.402	3.055	10	20	DGCD	
CC[C@H](N[C@H](C)[C@@H](O)C(F)(F)F)c1cccc(Cl)c1O	866463948	REZLSYOKJFSGQM-INNHCVQGSA-N	311.731	3.398	10	20	DGCD	
O=C(Nc1ccnc(N2CCCCC2)c1)c1cc(O)cs1	888574402	AFNKXSHVUNHFEV-UHFFFAOYSA-N	303.387	3.091	10	20	DGCD	
CCc1nc(CN(C)Cc2ccc(N(CC)CC)cc2)no1	919770298	QTSMJTCRWUUDKE-UHFFFAOYSA-N	302.422	3.110	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H]3OCCC[C@@H]3C1)CCCC2	1319687770	RVROMPLYGRKNNI-VQIMIIECSA-N	301.430	3.272	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C12CCC(CC1)CC2	1338998307	OKLMFGBSFVEULN-UHFFFAOYSA-N	308.418	3.465	10	20	DGCD	
C[C@H](NC/C=C\C1CC1)c1ccc(N2CCOCC2)c(F)c1	1347669232	VPMNSPYDSCEFDZ-SFAKSCPVSA-N	304.409	3.279	10	20	DGCD	
CC(=O)C1(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1	1354059655	UGMYZNSZDRXYPW-UHFFFAOYSA-N	310.397	3.254	10	20	DGCD	
Cc1ccc2ncnc(Sc3ncc(C(=O)O)s3)c2c1	1600503439	QBBJLLWCIQYKQI-UHFFFAOYSA-N	303.368	3.244	10	20	DGCD	
O=C(O)CC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1	1601976600	MXSFSIFCWUTRBK-SNVBAGLBSA-N	315.772	3.262	10	20	DGCD	
CC(C)[C@H]1OCCC[C@H]1CN[C@@H](C)c1cc(C(=O)O)ccc1O	1604336882	BZVALEPQRXNSKY-RVSPLBMKSA-N	321.417	3.192	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NCCCc2cn[nH]c2C)cc1	177853000	QWABENXYDFLUIC-CQSZACIVSA-N	300.450	3.458	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)c1	301625630	HCGZBYAUBNVPJE-SECBINFHSA-N	303.318	3.186	10	20	DGCD	
CSCCCCC(=O)NCCCSc1nccs1	122356766	LJAXLSJNWHIUEH-UHFFFAOYSA-N	304.506	3.275	10	20	DGCD	
C[C@H](NCCCCNc1ccccn1)c1ccc(F)cc1O	185325422	MRJZNWAGKMBTNI-ZDUSSCGKSA-N	303.381	3.469	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N(C)C(C)C)cc2)CC1	86395541	UMOKTHLPEHVEOX-UHFFFAOYSA-N	303.450	3.473	10	20	DGCD	
CCN(CC)Cc1cccc(NC(=O)Cc2ccc(N)cc2)c1	236928626	RIOVBCAHOLWTBI-UHFFFAOYSA-N	311.429	3.292	10	20	DGCD	
C[C@@H]1CC=CC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	341345778	AYNOAXULRLYTSY-HIFRSBDPSA-N	300.402	3.080	10	20	DGCD	
CCN(CC)c1ccc(CNCc2csc(COC)n2)cc1	266191828	ISWJRRWKFACWNZ-UHFFFAOYSA-N	319.474	3.426	10	20	DGCD	
COc1cc(O)c(CN[C@H]2CCO[C@H](C(C)(C)C)C2)cc1OC	271840659	QPAOJLMUSFHOPL-GUYCJALGSA-N	323.433	3.093	10	20	DGCD	
CCCNc1ccc(CNC(=O)NCc2ccccc2O)cc1	277684431	FYCBUMHWONEYTO-UHFFFAOYSA-N	313.401	3.214	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@@H](C)C1	282429601	HISVPVZASAKHTR-LSDHHAIUSA-N	305.418	3.336	10	20	DGCD	
COc1ccc(N(C[C@H]2CCNC(=O)CC2)[C@@H](C)C2CC2)cc1	295019514	UPZDQRRTIMTWAU-LSDHHAIUSA-N	316.445	3.216	10	20	DGCD	
CN(Cc1cccc(Cl)c1O)C[C@H](O)Cc1ccccc1	294076532	YTNFCJFASWKAQB-OAHLLOKOSA-N	305.805	3.081	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC=C(c2ccccc2)C1	803682749	ZXQYPFPEZMYILB-LUAWRHEFSA-N	321.376	3.427	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@H]1COc2ccccc21	816613095	IUSYAKAVDJIUML-NSHDSACASA-N	307.752	3.451	10	20	DGCD	
COC(=O)N1CCC(CN[C@@H](C)c2c(C)cc(C)cc2O)CC1	815626086	VIOJCGSAOQYNJF-AWEZNQCLSA-N	320.433	3.138	10	20	DGCD	
CCCN1C[C@@H](CN[C@@H](C)c2cc(Cl)cc(C)c2O)CC1=O	817590052	SQRUIRPQUPUFMO-QWHCGFSZSA-N	324.852	3.263	10	20	DGCD	
CCN(CC)C(=O)CNCc1cc(-c2ccccc2)ccc1O	725848389	QTTVHZGXMGVUHT-UHFFFAOYSA-N	312.413	3.017	10	20	DGCD	
c1cc([C@H]2C[C@H](NCc3ccc4c(c3)CCO4)CCO2)ccn1	824948267	QBORXCSUZYSEEH-IEBWSBKVSA-N	310.397	3.026	10	20	DGCD	
CCC[C@H](CNC1CCN(c2ccc(OC)cc2)CC1)OC	824544337	VJHPZNSCRDGADM-GOSISDBHSA-N	306.450	3.069	10	20	DGCD	
CC[C@H](COCC(F)(F)F)NCc1ccc(OC)c(C)c1	824555294	RZRYTPBZMJADBY-CYBMUJFWSA-N	305.340	3.451	10	20	DGCD	
COc1cc(C(=O)NCc2ccc(N(C)C)cc2C)ccc1C	734405065	AGGWECOJLQQODN-UHFFFAOYSA-N	312.413	3.308	10	20	DGCD	
CN(C)Cc1c(C(=O)NCc2ccccc2O)oc2ccccc12	735855986	AIQLKDCXHCQTSU-UHFFFAOYSA-N	324.380	3.130	10	20	DGCD	
Cc1cc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccn1	836405563	HUWDLCKGCUFXFV-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
O=C(c1cc(O)cs1)N1CCC([C@H](O)c2ccccc2)CC1	731866912	KVTDHRAVAVXRSM-MRXNPFEDSA-N	317.410	3.040	10	20	DGCD	
CC[C@H](NC(=O)NCc1cccc(OC)c1O)[C@@H]1CC1(C)C	842190042	KTLOCMBHOSVIGN-STQMWFEESA-N	306.406	3.025	10	20	DGCD	
COc1cccc(CN2CCCc3cc(CN)ccc32)c1F	843058358	PSEPPWRRUSLKJO-UHFFFAOYSA-N	300.377	3.246	10	20	DGCD	
CCO[C@@H](CCN(C)C)CN[C@H](C)c1ccc(Cl)cc1O	841758047	KBQQCFLOGYQXNT-OCCSQVGLSA-N	314.857	3.053	10	20	DGCD	
Cc1ccc(N)cc1NC(=O)NCc1ccc2c(c1)CCCN2C	841319451	MOAIDQVTUHQJPM-UHFFFAOYSA-N	324.428	3.281	10	20	DGCD	
CCC(CC)(CN[C@@H](C)c1cccc(OC)c1O)C(=O)OC	846165599	PHVXTOXTPZBECG-LBPRGKRZSA-N	309.406	3.031	10	20	DGCD	
C[C@@H](NCC[C@]1(O)CCCOC1)c1ccc2ccccc2c1O	846211912	ISAONSJKMQOKHG-AUUYWEPGSA-N	315.413	3.128	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CC[C@H](C)O1	743415571	GHVXUIPWQCIRPW-WMLDXEAASA-N	304.434	3.025	10	20	DGCD	
CON(C[C@H]1CCC[C@H](C)C1)C(=O)NCCc1ccc(N)cc1	841956248	ZSTCELOQWRADFL-HOCLYGCPSA-N	319.449	3.211	10	20	DGCD	
CCc1cccc(CN2CCC[C@H](c3nc(C)no3)C2)c1O	848882611	VVSUVURMRQKRHZ-HNNXBMFYSA-N	301.390	3.026	10	20	DGCD	
CCOCc1cc(CNC[C@@H](N)c2ccccc2)ccc1OC	841035564	IFRNCYPVVSBNGM-GOSISDBHSA-N	314.429	3.021	10	20	DGCD	
C[C@@H](CN[C@H](C)c1cc(F)cc(F)c1O)C(=O)OC(C)(C)C	848562112	HCOYTYKUXPWYNG-VHSXEESVSA-N	315.360	3.299	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCC[C@H]2C2CC2)c1O	840954823	OQQTYWXDTGRUEQ-OCCSQVGLSA-N	320.389	3.225	10	20	DGCD	
Nc1ccc(Cc2noc(C[C@@H]3OCCc4ccccc43)n2)cc1	843160180	WNJGVJBIJAISLL-KRWDZBQOSA-N	321.380	3.099	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)N(C)C2CCCC2)cc1	845987735	MPCWOUZPNSWPEG-UHFFFAOYSA-N	319.449	3.058	10	20	DGCD	
CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CCC1	850568276	UKDVRWIBMIDXJC-LJQANCHMSA-N	302.462	3.316	10	20	DGCD	
COCCCOCCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C	851093573	QWGBUPAZGCRJFB-UHFFFAOYSA-N	319.401	3.144	10	20	DGCD	
COc1ccccc1OCCN[C@@H](C)c1ccc(C)cc1O	756374074	XSPRNAOUJSAUDB-AWEZNQCLSA-N	301.386	3.439	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCC2CCN(CC3CC3)CC2)c1	850581160	DJSNWTHJYHUUCH-OAHLLOKOSA-N	302.462	3.473	10	20	DGCD	
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1O	868343110	MGXSZSTYAIBCRV-CPUCHLNUSA-N	320.433	3.204	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](CC(=O)O)C2CCCC2)cc1	864523903	OIYCXFYUVHDIPP-MRXNPFEDSA-N	304.434	3.123	10	20	DGCD	
CCCCCn1cc(CNCc2cccc(OC)c2O)c(C)n1	767425472	DNSVXYOUDVMVIL-UHFFFAOYSA-N	317.433	3.386	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCO[C@@H](c3ccco3)C2)cc1F	862250895	RRECKEIRGPQYOM-QGZVFWFLSA-N	322.355	3.197	10	20	DGCD	
CCc1ccc([C@H](C)NC(=O)CN(C)c2ccc(N)cc2)cc1	863556672	CEZWHXNKEOGEJR-AWEZNQCLSA-N	311.429	3.145	10	20	DGCD	
Cn1nccc1[C@H]1CCCN(Cc2c(O)cccc2Cl)C1	768940077	GKQQMSJTNGIZCT-LBPRGKRZSA-N	305.809	3.159	10	20	DGCD	
Cc1ccc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c(O)c1	876790810	YDHTUFIIDWQUGH-SFHVURJKSA-N	319.445	3.251	10	20	DGCD	
CO[C@@](C)(CNCc1ccc(N2CCSCC2)cc1)C1CC1	876942816	GGJSCKCIEBZUIJ-SFHVURJKSA-N	320.502	3.145	10	20	DGCD	
Cc1noc(C(C)(C)NCc2ccc(N3CCCC3)cc2)n1	1117066787	UYGPBJLFXBOALW-UHFFFAOYSA-N	300.406	3.003	10	20	DGCD	
C[C@H]1CCc2ccccc2N1C(=O)CN[C@H](C)c1ccccc1O	879647526	COUGPMPODFGINX-LSDHHAIUSA-N	324.424	3.411	10	20	DGCD	
Fc1cc(CNC2CC3(CCC3)C2)ccc1N1CCOCC1	772875298	SWBAQRDAYADQTM-UHFFFAOYSA-N	304.409	3.085	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]2C2CCCC2)c1O	774854623	YKHCRQDSZKTVPJ-CQSZACIVSA-N	320.389	3.464	10	20	DGCD	
CCc1cc(O)nc(-c2ccc(NCc3ccccc3O)nc2)n1	774524484	UVZCNYFXCYQGPH-UHFFFAOYSA-N	322.368	3.124	10	20	DGCD	
CCN(C)c1ccc(CN(C)C2(C(=O)OC)CCCC2)cc1	773781290	CHLSRXQTNXZXLT-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
CCN1C[C@H](C)N(Cc2cc(Cl)cc(F)c2O)C[C@@H]1C	775711988	LQQBZMCJWZGNBZ-QWRGUYRKSA-N	300.805	3.099	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2ccnn2CC)cc1	776019034	KJPNUBOMQLVLGE-UHFFFAOYSA-N	315.421	3.071	10	20	DGCD	
C[C@H](NC[C@@]1(CO)C[C@H]1c1ccccc1)c1c(O)cccc1F	886612493	MKSYYHNFDWHMHM-ZUEVXXBESA-N	315.388	3.348	10	20	DGCD	
CC(C)=C[C@H]1[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1(C)C	782220941	LGZUKMNFQSEEGM-LRDDRELGSA-N	318.369	3.062	10	20	DGCD	
COCC1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1	880595231	ZMSVGJIJYRZRTI-UHFFFAOYSA-N	312.413	3.121	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCc1cccc2cc[nH]c12	786260776	PGQRUQJYTWGBMM-UHFFFAOYSA-N	309.369	3.215	10	20	DGCD	
CC(C)=CCCNC(=O)NCc1c(O)ccc2c1CCCC2	790521120	SETLMDKHDDLXTJ-UHFFFAOYSA-N	302.418	3.427	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2NCc1c(O)ccc(Cl)c1F	790966287	HYBBFXVZASLFKH-ZDUSSCGKSA-N	321.783	3.450	10	20	DGCD	
CC[C@@H](C)[C@@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792977524	XZKRAIHRLKSZSQ-ABAIWWIYSA-N	318.383	3.268	10	20	DGCD	
Cc1ccc(SC[C@@H](C)NC(=O)c2cccc(O)c2O)cc1	790936450	DFCDSJVZWADONX-GFCCVEGCSA-N	317.410	3.317	10	20	DGCD	
CCCn1ncnc1CN(CC(C)C)c1ccc(OC)cc1	790312208	YQKGXUCUZDLSQW-UHFFFAOYSA-N	302.422	3.359	10	20	DGCD	
Oc1ccc(F)cc1CNC1CC(OCc2ccccc2)C1	716239121	ZEPKNMXJGQZVKJ-UHFFFAOYSA-N	301.361	3.369	10	20	DGCD	
CCOc1cccc(CN(C)[C@@H](C(=O)O)c2ccccc2)c1O	1605705467	WJODMVNQJXRMFD-MRXNPFEDSA-N	315.369	3.049	10	20	DGCD	
C[C@@H]1C[C@@H](CN(C)Cc2ccc(N3CCCC3)cc2)CCN1	1576597016	CRJNNKMACDDRAZ-AEFFLSMTSA-N	301.478	3.107	10	20	DGCD	
COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)C2(C)CCC2)cc1C	1755247358	ATGUKPAORGCHSQ-HUUCEWRRSA-N	318.461	3.177	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H]2CCC[C@@H]2C(=O)O)cc1F	1776861096	XGSFOFCZVKWULC-GJZGRUSLSA-N	322.424	3.262	10	20	DGCD	
CO[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@H]1C	862386626	WGROTKIENJMQOO-QMTHXVAHSA-N	314.223	3.012	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCC(=O)NCc1ccccc1	324528115	YUGMOOZVIDSECN-GOEBONIOSA-N	324.424	3.155	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC1CCN(C2CC2)CC1	37141010	XMMIOWCEVJPYMD-UHFFFAOYSA-N	315.244	3.415	10	20	DGCD	
COCCOCCN(Cc1ccco1)c1ccc(OC)c(F)c1	79443555	IKGKZFJIOHWYBY-UHFFFAOYSA-N	323.364	3.097	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@H]1OC	80484879	HMFYSSXPAUGNRB-DOTOQJQBSA-N	320.433	3.271	10	20	DGCD	
OCC1CCN(c2ccc(CNc3ncccc3F)cc2)CC1	84484421	WZINEKQYDDFVKU-UHFFFAOYSA-N	315.392	3.042	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)C(C1CC1)C1CC1	92704042	LHOJKGIAUKFDBM-UHFFFAOYSA-N	318.436	3.283	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCc3ccccc32)cc1	111419573	FBHQCDHTIXODDR-KRWDZBQOSA-N	323.440	3.282	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)Oc1ccccc1	115281558	LQTHUYCEIPVBER-HNNXBMFYSA-N	312.413	3.145	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)CCc1ccc(F)cc1F	124594933	MAGCYVANKVGKJG-UHFFFAOYSA-N	305.324	3.262	10	20	DGCD	
CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(N(C)C)cc1	159018921	CZCWJQDQNRXDDA-GOSISDBHSA-N	318.461	3.497	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCCCN(C)CC(F)(F)F)c1	185026767	XURUTKKASUEHHG-GFCCVEGCSA-N	304.356	3.235	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)CC(C)C)CC2)cc1	185257401	DVXYICNVBLXFII-INIZCTEOSA-N	318.461	3.416	10	20	DGCD	
COCCc1ccccc1NCc1cc(OC)c(OC)cc1O	191679538	JPMFIOXPCVRZJB-UHFFFAOYSA-N	317.385	3.210	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)C[C@H]2CCCCO2)C2CC2)cc1	268006957	XVZKHZJYRROEQJ-GOSISDBHSA-N	316.445	3.203	10	20	DGCD	
CC[C@@H](C)CC(=O)NCc1cccc(Br)c1O	277651620	ZAEJCFRMMWSUAZ-SECBINFHSA-N	300.196	3.207	10	20	DGCD	
CCN(Cc1cncc(OC)c1)c1ccc(OC)c(OC)c1	289840907	KEPDHWIRGQOEMO-UHFFFAOYSA-N	302.374	3.134	10	20	DGCD	
COc1cccc(N2CC[C@@H](N[C@H]3CCc4cccc(O)c43)C2)c1	296225468	AHJOOFWKVUMHTQ-QAPCUYQASA-N	324.424	3.257	10	20	DGCD	
CC[C@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O	320188095	OZGKWRAXXFYHRQ-FZMZJTMJSA-N	311.385	3.364	10	20	DGCD	
CNCCc1ccccc1C(=O)N1C[C@H](C)Cc2ccccc21	322137469	PPESCWAYJZNRCK-OAHLLOKOSA-N	308.425	3.288	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CCOC[C@H](C)C1	372883760	UBODCOUDHBWGRO-GFCCVEGCSA-N	318.442	3.264	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](OCC3CC3)C2)c1O	375320656	RMGBVOSJSIQDRH-INIZCTEOSA-N	321.392	3.125	10	20	DGCD	
Cc1ccc(/C=C/C(=O)N(C)c2cnc3ccccc3n2)cn1	493491144	IYGQHSUEKSESFU-MDZDMXLPSA-N	304.353	3.009	10	20	DGCD	
Cc1ccc(CNCc2ccc(Br)cc2O)nc1C	691402918	MOPXFTBZSMZFKV-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)/C=C\c1ccsc1	734405744	YKGWQIYMQVOJTE-DAXSKMNVSA-N	300.427	3.452	10	20	DGCD	
C[C@H](C(=O)O)N1CCCc2cc(OCc3ccccc3)ccc21	736227156	NWHKQKXUAYDBLV-CQSZACIVSA-N	311.381	3.491	10	20	DGCD	
CCc1ocnc1C(=O)NCc1ccc(N2CCCCC2)cc1	739712709	OVCCGGZQCRWLCQ-UHFFFAOYSA-N	313.401	3.157	10	20	DGCD	
Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c(O)c1	743716542	RLLDXTSRAAEJHW-UHFFFAOYSA-N	311.381	3.215	10	20	DGCD	
COc1ccc(N(Cc2ccn(C)c(=O)c2)CC(C)C)cc1	746170255	PMQTZAAJCMOVDD-UHFFFAOYSA-N	300.402	3.057	10	20	DGCD	
COC[C@@H](C)N[C@@H](C)c1cc(Br)cc(Cl)c1O	756343408	YTFOSITWSBKGNJ-SFYZADRCSA-N	322.630	3.494	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CC[C@@H](SC)C2)c1	756610541	PGTTWKVDGNUNSK-WCFLWFBJSA-N	309.431	3.114	10	20	DGCD	
C[C@H](CCCO)N[C@H](C)c1cc(Br)c(F)cc1O	756647995	VFWMNSJZZUZZMC-RKDXNWHRSA-N	320.202	3.105	10	20	DGCD	
CC(=O)NCc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)cc1	757605187	UNIMBVRGWJJAOT-JTQLQIEISA-N	320.339	3.480	10	20	DGCD	
COc1cc(O)c(CNCCC2CCC(OC)CC2)cc1OC	757985254	NLCJCMUFEICFHL-UHFFFAOYSA-N	323.433	3.094	10	20	DGCD	
CCC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)CCO1	759419262	QKVCCYYZBXQHNL-CQSZACIVSA-N	311.809	3.249	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCC[C@@H](C)CO)cc1	759888284	BGSSMCKCQAEQAZ-CQSZACIVSA-N	314.429	3.233	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1	763926532	SOFHBDLLOCNCTP-GDBMZVCRSA-N	316.445	3.154	10	20	DGCD	
COC[C@H](CC(C)C)NC1CCN(c2ccc(OC)cc2)CC1	765638499	NVKGPUDXLKZFEN-KRWDZBQOSA-N	320.477	3.315	10	20	DGCD	
C[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(N(C)C)cc1	766435914	CPSSGRNPTBGDQX-HNNXBMFYSA-N	317.477	3.194	10	20	DGCD	
CC(C)CC[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768462486	LXBGOYKFDNJPAH-YOEHRIQHSA-N	305.418	3.219	10	20	DGCD	
CCOc1ccc(CN(C)C2(C(=O)OC)CCCCC2)c(O)c1	769401283	FRNDUPMCKYRXJC-UHFFFAOYSA-N	321.417	3.099	10	20	DGCD	
COc1ccc(O)c(CN2CCN(C3CCC(C)CC3)CC2)c1	775695801	CWHGIXRCBSYWLJ-UHFFFAOYSA-N	318.461	3.097	10	20	DGCD	
Cc1ccc(N2CCNC2=O)cc1NCc1cccc(C)c1O	787312516	YTOGIBBWWDLDQS-UHFFFAOYSA-N	311.385	3.151	10	20	DGCD	
COc1ccc2nc(/C=C3/SC(=S)N(C)C3=O)sc2c1	788680570	OBDVHUDDYCFLKF-UXBLZVDNSA-N	322.436	3.136	10	20	DGCD	
C[C@@H](CO)CCCN[C@H](C)c1cccc(C(F)(F)F)c1O	788685103	GQCUBBBQKHNXEU-GHMZBOCLSA-N	305.340	3.470	10	20	DGCD	
COCCN(Cc1cc(OC)c(C)cc1O)[C@@H]1CC[C@H](C)C1	790477712	HOOLZWRWPUVPHM-XJKSGUPXSA-N	307.434	3.346	10	20	DGCD	
Cc1ccc(C2=CCN(C(=O)c3cccc(O)c3O)CC2)cc1	790486247	SSHSPZBFKMJLTE-UHFFFAOYSA-N	309.365	3.336	10	20	DGCD	
COc1ccc(Cl)cc1NC(=S)NCc1cccn1C	792679883	KPFSEDGZPKZCDW-UHFFFAOYSA-N	309.822	3.174	10	20	DGCD	
CC[C@@H](N[C@@H](CO)Cc1ccc(C)cc1)c1ccc(F)cc1O	796959525	RADZUEXAQMRSDG-SJLPKXTDSA-N	317.404	3.484	10	20	DGCD	
CC(C)SCCNC(=O)NCCCSc1nccs1	806958324	GLOCWPLXAQXZNS-UHFFFAOYSA-N	319.521	3.066	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)Nc1cc2c(cn1)CCCC2	813012278	GCHLJIIWWQMOBZ-UHFFFAOYSA-N	311.385	3.330	10	20	DGCD	
C[C@H](NCC1CCNCC1)c1cccc(C(F)(F)F)c1O	817940149	GCNRLAFHGZHPAA-JTQLQIEISA-N	302.340	3.061	10	20	DGCD	
C[C@H](N[C@H]1CC[C@H](CN)C1)c1ccc(Cl)c(Cl)c1O	817982232	PRISUSHKAPYJHC-GUBZILKMSA-N	303.233	3.477	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[C@H](C2CC2)C1	819798121	SRDUAUSAVXXJMJ-KOMYPQRHSA-N	301.386	3.196	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnc(Cl)n1C	822757371	YWPQMBYWKMRNGL-UHFFFAOYSA-N	321.808	3.222	10	20	DGCD	
COc1cccc(O)c1CNCc1ccnc(C(F)(F)F)c1	824660778	ICGLCADCZUXVKZ-UHFFFAOYSA-N	312.291	3.104	10	20	DGCD	
Cc1cc(O)c(CN[C@H](CO)c2ccccc2C)cc1Cl	825331412	NMDCFFIBBOXJAV-MRXNPFEDSA-N	305.805	3.486	10	20	DGCD	
CC[C@H](NCc1ccc(Br)cc1O)[C@@H]1CCCO1	825391520	XOERRIIHWYDULO-JSGCOSHPSA-N	314.223	3.202	10	20	DGCD	
Cc1cc(O)c(CNCCCNc2ccccn2)cc1Cl	825430100	SKKUOPNZGMVCBQ-UHFFFAOYSA-N	305.809	3.341	10	20	DGCD	
Cc1cc(CN2CC[C@H](O)[C@@H](C)C2)ccc1N1CCCCC1	828987793	LQKNTTXBBHQPHG-LPHOPBHVSA-N	302.462	3.188	10	20	DGCD	
COc1cccc(CN[C@H](C(C)C)C2(CO)CCCC2)c1O	835066410	PKRRGFZBWJPOMS-QGZVFWFLSA-N	307.434	3.068	10	20	DGCD	
CCN(CC)c1ccc(CN(C)[C@H](C)c2n[nH]c(C)n2)cc1	839459600	OSSQCVKCJMTEDK-CYBMUJFWSA-N	301.438	3.152	10	20	DGCD	
C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(Cl)cc1O	841752971	DGTCMOCQPXHQEQ-RMLVOYDJSA-N	319.788	3.191	10	20	DGCD	
O=C(O)C1(CNCc2cc(Cl)cc(Cl)c2O)CCC1	841810264	IZIOFCLPHNSZDX-UHFFFAOYSA-N	304.173	3.044	10	20	DGCD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1cc(Cl)ccc1O	846477916	XOMGRBVLAQYOTB-SECBINFHSA-N	321.808	3.196	10	20	DGCD	
Cc1ccc(F)c(CC(=O)NCc2cc(Cl)ccc2O)c1	857548523	MHPQQVVHQAFJFO-UHFFFAOYSA-N	307.752	3.352	10	20	DGCD	
CC[C@@H](CC(F)(F)F)NC(=O)NCc1cc(C)ccc1O	858362047	LYFJWEOEPGGDDT-NSHDSACASA-N	304.312	3.231	10	20	DGCD	
C[C@@H]1C[C@H]1c1nnc(NCc2cccc(Br)c2O)o1	865295621	IZVKXIFFVOQPST-VXNVDRBHSA-N	324.178	3.273	10	20	DGCD	
COc1cc2c(cc1CNCc1c(C)cccc1O)O[C@H](C)C2	876923783	INQLKESITNUATK-CYBMUJFWSA-N	313.397	3.322	10	20	DGCD	
C[C@@H](NCc1cc(F)cc(F)c1O)[C@@H](O)c1ccc(F)cc1	883003793	HXONSJOEPJETFI-RFAUZJTJSA-N	311.303	3.021	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[C@H]4C3)cc2)CC1	888218987	QVHKFGQNKSVKFW-IRXDYDNUSA-N	313.445	3.084	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H]1O	897679201	IOGSWLONCUSLQQ-RDTXWAMCSA-N	316.470	3.197	10	20	DGCD	
CCC[C@H](C)C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	900030815	JIRJOAFJJWITGL-BBRMVZONSA-N	305.418	3.381	10	20	DGCD	
COc1ccc(CN[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1C	1000759845	BGQBYMIVUQWMNA-INIZCTEOSA-N	318.461	3.130	10	20	DGCD	
COc1ccc(OC2CCN(Cc3ccc(N)cc3)CC2)cc1	1120269185	OEXUDIUZIGVBMA-UHFFFAOYSA-N	312.413	3.321	10	20	DGCD	
CN(Cc1ccc(C(N)=O)cc1)Cc1cc2c(cc1O)CCCC2	1253981887	UJOMVVDBPGLXRD-UHFFFAOYSA-N	324.424	3.002	10	20	DGCD	
CCOc1ccc(N2CCN([C@@H](C)c3ccncc3)CC2)cc1	1319847912	QMFCHBNDVNULIK-INIZCTEOSA-N	311.429	3.364	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCc2ccc(N(C)C)cc2)c1	1337784998	IEPJIOACYGJJJR-AWEZNQCLSA-N	314.429	3.360	10	20	DGCD	
CC(C)c1ocnc1C(=O)Nc1c(Cl)ccc2nonc12	1342950054	GACLYTDLWBBMHB-UHFFFAOYSA-N	306.709	3.240	10	20	DGCD	
C[C@@H]1[C@@H](NCc2ccc(N3CCCCC3)cc2)C[C@H]2CC[C@H]1N2	1576588155	QWEIWHRUVDUAFX-ZSXHRAQDSA-N	313.489	3.296	10	20	DGCD	
CCC(CC)(CCSc1ncc(C(=O)OC)s1)C(=O)O	1595063313	RYJCTPPYKCLVNG-UHFFFAOYSA-N	317.432	3.303	10	20	DGCD	
CN(C)c1ccc(OC[C@@H]2CCC3(CCCC3)O2)cc1C(=O)O	1598327989	ABCOXIQBPLYYRH-AWEZNQCLSA-N	319.401	3.321	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H]2C[C@H](C(=O)O)CC[C@H]2C)c(C)c1	1776856783	LIENOJQSXZKJDT-DDUZABMNSA-N	318.461	3.430	10	20	DGCD	
CCN1CCc2cc(CNC[C@H]3CC[C@H](C(=O)O)CC3)ccc21	1776877770	YBDWUSMIVMXZNY-KOMQPUFPSA-N	316.445	3.050	10	20	DGCD	
CC(C)N(C(=O)NCc1ccc2c(c1)CCCN2C)C1CC1	176038980	KETZCOSZMMFVNT-UHFFFAOYSA-N	301.434	3.151	10	20	DGCD	
COCCCCCN(Cc1ccccc1O)C[C@H]1CCCO1	112641134	NLIXLXYNYRCAOB-QGZVFWFLSA-N	307.434	3.190	10	20	DGCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCC1	178535517	ADJXFVJFIJTYJO-ZDUSSCGKSA-N	306.425	3.065	10	20	DGCD	
COc1cccc(CNC2(c3nccs3)CCCC2)c1O	116374243	RCTXQDDCLCSPEP-UHFFFAOYSA-N	304.415	3.416	10	20	DGCD	
C[C@H](NCc1ccco1)c1ccc(N2CCOCC2)c(F)c1	20551047	BCHACZIRLAQLEK-ZDUSSCGKSA-N	304.365	3.106	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(Cl)c1	25386145	BOGPNUPRIFIXSD-UHFFFAOYSA-N	303.793	3.073	10	20	DGCD	
C[C@H](Nc1ncncc1Cl)c1ccc(N2CCOCC2)cc1	302616240	FZTBUYSBMHVHIQ-LBPRGKRZSA-N	318.808	3.140	10	20	DGCD	
COc1cc(Cl)cc(CN2CCC[C@@H](C)[C@H]2CCN)c1O	404315962	OEYNQWIIOGITND-BXUZGUMPSA-N	312.841	3.004	10	20	DGCD	
C[C@H](NCCCO[C@H]1CCOC1)c1cc2c(cc1O)CCCC2	185704996	JEKUMYOJWRXXTJ-YOEHRIQHSA-N	319.445	3.117	10	20	DGCD	
CN(C)c1ccc(CNc2nc3ccccc3cc2CO)cc1	77905440	IDGCTWYAOSZABE-UHFFFAOYSA-N	307.397	3.405	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1cccc(F)c1F	78561229	ICCSBFQUMXTJFV-XFXZXTDPSA-N	308.353	3.421	10	20	DGCD	
Cc1cc(CN[C@H](C)c2ccc(Br)cc2O)on1	185357555	WGVJLAPODZRQKG-SECBINFHSA-N	311.179	3.302	10	20	DGCD	
Cc1c(CNC(=O)N[C@@H]2CS[C@@H](C)C2)n(C)c2ccccc12	413508511	URFUQHKUBASSGL-AAEUAGOBSA-N	317.458	3.180	10	20	DGCD	
CCN(CC)C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	131381600	WBZSXHMGMLNZJV-INIZCTEOSA-N	307.457	3.055	10	20	DGCD	
Cc1ccc(C(=O)NCCN[C@@H](C)c2cc(C)ccc2O)cc1	193911077	MUDJCLHDJDJUAV-HNNXBMFYSA-N	312.413	3.090	10	20	DGCD	
Cc1ccc(O)c(CN2CCO[C@@H](c3cccc(F)c3)C2)c1	92975802	BCDMEBMZLIKTSF-GOSISDBHSA-N	301.361	3.413	10	20	DGCD	
CCO[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)C12CCCC2	236993916	OYUMKYPDAJTNEJ-MSOLQXFVSA-N	301.430	3.449	10	20	DGCD	
CC(C)c1nc(C2CCN(Cc3ccccc3O)CC2)no1	272338230	XZHQHKANSLPJNQ-UHFFFAOYSA-N	301.390	3.278	10	20	DGCD	
COc1cccc([C@@H](O)CN[C@@H](C)c2ccc(C)c(C)c2O)c1	273617225	XRINLYZMHAMTPS-KSSFIOAISA-N	315.413	3.402	10	20	DGCD	
Cc1cccc(CN(C)Cc2c(C)nc3sccn23)c1O	271714552	ICRYCJWDLGSNNE-UHFFFAOYSA-N	301.415	3.350	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C(C)C)c1	276077759	FTKSCEJQWNJPPL-UHFFFAOYSA-N	314.433	3.192	10	20	DGCD	
CC(C)=CCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1	276706222	PAAZGNIHRYKYQF-JXMROGBWSA-N	314.429	3.009	10	20	DGCD	
CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(O)c1O	288739984	ZVPUWONLULXUJZ-OAHLLOKOSA-N	315.369	3.330	10	20	DGCD	
COc1ccc(O)c(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1	377836164	ZGRTZDRQUNOPCC-GJZGRUSLSA-N	305.418	3.039	10	20	DGCD	
Cc1cc2cc(CNC(=O)/C=C\c3ccc(O)c(O)c3)ccc2[nH]1	804886868	RXOVVNJLKCNEON-DAXSKMNVSA-N	322.364	3.217	10	20	DGCD	
CCOc1ccc(CNCC[C@@H](O)c2ccccc2)c(O)c1	809746869	CCLQUUMODNDJCR-QGZVFWFLSA-N	301.386	3.004	10	20	DGCD	
CN1CCCc2cc(CNC(=O)N[C@H]3CCC3(C)C)ccc21	806021091	CUJHXMLYDMRLMX-INIZCTEOSA-N	301.434	3.057	10	20	DGCD	
Oc1c(Cl)cccc1CN1CC[C@H](n2cc(Cl)cn2)C1	290906603	MQSLDRQAUJSCRK-LBPRGKRZSA-N	312.200	3.343	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](O)CC2)cc1	294667796	FFMLMSLQTOACOT-GOSISDBHSA-N	312.413	3.081	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H](O)c1cc(F)cc(Cl)c1)CC2	296247262	BCEYGGXIDIWEES-GDBMZVCRSA-N	321.779	3.495	10	20	DGCD	
C[C@H](c1ccccc1)[C@@H](O)CNCCCSc1nccs1	819064236	UUPDTJMYMHUHJF-HIFRSBDPSA-N	322.499	3.380	10	20	DGCD	
CC(C)(C)N1CCCN(Cc2cc(Cl)c(F)cc2O)CC1	816498421	USWMJJURHULCDB-UHFFFAOYSA-N	314.832	3.491	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@H](N)C1)c1cc(Br)ccc1O	817969932	IIRDXIYOESZZKS-DLOVCJGASA-N	313.239	3.075	10	20	DGCD	
CCc1cccc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)n1	823899623	LBMMYWXKOLVZHQ-UHFFFAOYSA-N	311.429	3.372	10	20	DGCD	
CCN(C(=O)c1cc(O)cs1)c1ccc(OC)c(OC)c1	821438707	OXHUXCDCIYOYNS-UHFFFAOYSA-N	307.371	3.138	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1ccn(CC)n1	824948733	GNEWNSMLZPWOPB-UHFFFAOYSA-N	316.405	3.443	10	20	DGCD	
CCC[C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1	733132438	MUYMZYLTUMLOMY-CQSZACIVSA-N	306.475	3.292	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[C@@H](C)O1	838743663	YBEJLOLXAGUABM-ZBFHGGJFSA-N	320.433	3.271	10	20	DGCD	
COc1ccc(N(CC(=O)NCC2CCC2)CC(C)C)cc1	731211904	HQPLYEIFWSJDGU-UHFFFAOYSA-N	304.434	3.074	10	20	DGCD	
CCOc1ccc(C=O)c(OCc2cc(C(=O)O)oc2CC)c1	830070882	KDUQFNMHXJVBIZ-UHFFFAOYSA-N	318.325	3.330	10	20	DGCD	
COc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(N)cc2)cc1	841301188	FIXAFACIEAMAMD-CYBMUJFWSA-N	313.401	3.420	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCN[C@@H](C)C1	841005049	DDURHFPVERAAJD-FUHWJXTLSA-N	303.494	3.351	10	20	DGCD	
CC(C)[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H](O)c1ccccc1	841297553	SWHUWXCHXDGACP-IAGOWNOFSA-N	313.401	3.149	10	20	DGCD	
C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2ccc(N(C)C)cc2)C1	743810956	HIVWBNALYVBWHJ-HUUCEWRRSA-N	303.450	3.473	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCC[C@@H]([C@H]2CCCNC2)C1	843126110	GOBXQBFZQUKBRU-UONOGXRCSA-N	308.853	3.257	10	20	DGCD	
CCC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C	919076408	HZKGTWCQIWVMOB-ZDUSSCGKSA-N	300.358	3.014	10	20	DGCD	
CN(C[C@H]1CC2(CC2)C(=O)O1)c1ccc(-c2nccs2)cc1	846992456	JWZNCGQDCNVWEY-CQSZACIVSA-N	314.410	3.342	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCNC[C@@H]1c1ccccc1	841101179	RATZCOYAEMSDPQ-MRXNPFEDSA-N	320.795	3.331	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)NC1CC2(CCC2)C1	844887124	DEIUYYHGRUPDRE-UHFFFAOYSA-N	313.445	3.419	10	20	DGCD	
COCc1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1	858099147	JPQATUZFSWEKPR-UHFFFAOYSA-N	320.383	3.467	10	20	DGCD	
CCC(O)(CC)CNCc1cc(OC)cc(C(C)(C)C)c1O	850098837	NHEYOJYLEJPGAB-UHFFFAOYSA-N	309.450	3.339	10	20	DGCD	
COCC1(N[C@H](C)c2cc(Br)cc(F)c2O)CC1	756849483	BGHSZRVTYJWJDN-MRVPVSSYSA-N	318.186	3.123	10	20	DGCD	
COCCc1nc2cc(NC(=O)c3cc(O)cs3)ccc2o1	753338633	RQWUGOYXKNMWNR-UHFFFAOYSA-N	318.354	3.036	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1cc(F)ccc1O	756763281	WRSKDWFKQCFSLS-MLGOLLRUSA-N	320.408	3.116	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c(F)ccc(C)c2F)c1	767087172	HVRDSTPZURHNKZ-SNVBAGLBSA-N	321.323	3.478	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2ccc(OC(C)(C)C)cn2)c1	862755828	ZDZIGRWQTLRDMB-UHFFFAOYSA-N	314.385	3.203	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	760156356	FTVFRFCLOCEVOY-RCCFBDPRSA-N	300.446	3.108	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cnc(C(C)(C)C)s2)c1	862759067	ULFRIZFGFOPHRI-UHFFFAOYSA-N	304.415	3.385	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)[C@@H](C)C1	763477294	FSEFLHOTVZKHBC-HOCLYGCPSA-N	316.445	3.106	10	20	DGCD	
C[C@H]1CCCC[C@@H]1N(C)C(=O)CN[C@H](C)c1ccccc1O	879648513	RRZVNLWXYBDNPS-LZWOXQAQSA-N	304.434	3.080	10	20	DGCD	
CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CC(F)(F)C1	874001399	DXCZQYZMCFBUCM-UHFFFAOYSA-N	308.372	3.338	10	20	DGCD	
CCC[C@H](CC)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	873862689	QUHUQEJIAOVZMX-KRWDZBQOSA-N	318.461	3.308	10	20	DGCD	
CCN(CC)c1ccc(CN(C)Cc2cn3cccnc3n2)cc1	887567999	OQMGQOGLQOQNCA-UHFFFAOYSA-N	323.444	3.208	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(CC(F)F)C2CCC2)c1O	887100698	MFJORPMQCVFRDM-UHFFFAOYSA-N	301.308	3.354	10	20	DGCD	
C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1c(O)cccc1F	886522372	HWTJXSLPSYJTFL-NSHDSACASA-N	304.321	3.333	10	20	DGCD	
CC(C)OCC[C@@H](O)CN(Cc1ccccc1O)C1CCCC1	788272861	YZVLJIFDRGJIBR-GOSISDBHSA-N	321.461	3.313	10	20	DGCD	
COc1ccc(CN[C@@H]2CCN(C(=O)CC(C)(C)C)C2)cc1C	967134449	OSPMSFKYZYTSBW-MRXNPFEDSA-N	318.461	3.130	10	20	DGCD	
c1ccc2c(c1)CCCN2Cc1ccc(N2CCOCC2)cc1	780755430	VBYFOILQXZCDCK-UHFFFAOYSA-N	308.425	3.476	10	20	DGCD	
CCOCCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F	793065361	LDTAYUQLUVSLDC-UHFFFAOYSA-N	304.356	3.240	10	20	DGCD	
CC(C)(C)N1CCCN(Cc2c(O)ccc(Cl)c2F)CC1	792165369	PFGMJEDZCNFWJW-UHFFFAOYSA-N	314.832	3.491	10	20	DGCD	
CC(C)c1noc(CCN[C@@H](C)c2ccc(Cl)cc2O)n1	1328713883	OFSBZJKZTUJFQS-JTQLQIEISA-N	309.797	3.445	10	20	DGCD	
CCOc1ccccc1NC[C@@H](O)COCc1ccccc1	390816648	MGVNGEKVHNRVKF-MRXNPFEDSA-N	301.386	3.075	10	20	DGCD	
CN1CCN(c2ccc(CN3CC(C)(C)C3(C)C)cc2)CC1	1323454181	ZSJMQEBQTRQEAQ-UHFFFAOYSA-N	301.478	3.059	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(o2)CCCC3)c1	1521266930	VLKFRSNDTYEZHI-LLVKDONJSA-N	315.369	3.364	10	20	DGCD	
O=C(O)CCc1cccc(NCc2ccc(F)c(F)c2O)c1	1602044008	DTENTOQJPYGODJ-UHFFFAOYSA-N	307.296	3.300	10	20	DGCD	
CCCCC[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)O	1605259999	JLASFPXDVIQRPD-GFCCVEGCSA-N	303.761	3.308	10	20	DGCD	
O=C(O)CC[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1	1595019592	UPFKUTALZJWLGL-SNVBAGLBSA-N	315.772	3.262	10	20	DGCD	
CCN(C)c1ccc(CN[C@H](CC(C)(C)C)C(=O)O)c(C)c1	1776857110	OMWMPDMEBGVINA-MRXNPFEDSA-N	306.450	3.430	10	20	DGCD	
Cc1cnc(CNCc2cccc(Br)c2O)s1	230686670	KFIHXSFJXPSACZ-UHFFFAOYSA-N	313.220	3.209	10	20	DGCD	
COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)cc1	179410771	FJBGAPCDSTYJDD-GFCCVEGCSA-N	315.369	3.248	10	20	DGCD	
Cn1cncc1CN1CCCc2cc(OC(F)(F)F)ccc21	177254178	XWRWMXKKXXFMNU-UHFFFAOYSA-N	311.307	3.272	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@H](C)c2ccc(F)cc2O)c1	185177311	WFRPNGCDGTWGES-GFCCVEGCSA-N	316.376	3.132	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CNc1ccc2[nH]ncc2c1	121788679	GQVZNQTXMHJCPZ-UHFFFAOYSA-N	308.385	3.012	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1	121691583	GGOGIDITOYIILC-OAHLLOKOSA-N	308.425	3.489	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccncc1C	188244241	PCLKIXGGURVIHZ-UHFFFAOYSA-N	313.401	3.217	10	20	DGCD	
Cc1nc(-c2ccncc2)nc(N(C)Cc2ccccc2O)c1C	89635439	CHSPRDLOWDXCKE-UHFFFAOYSA-N	320.396	3.497	10	20	DGCD	
C[C@H](N[C@@H]1CCSC1)c1ccc(Br)cc1O	381433307	BZEUXDDGOLEIIV-WCBMZHEXSA-N	302.237	3.311	10	20	DGCD	
CCN(CC(C)C)C(=O)NCc1ccc(N2CCCC2)cc1	194168364	UFTDUGDQDYOMDK-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H](C)CO1	237701662	VFANOJLCGLOJAE-HNAYVOBHSA-N	324.424	3.108	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccccc2N2CCCCC2)cc1	237917834	XSLQVJMFXCLKRA-UHFFFAOYSA-N	309.413	3.440	10	20	DGCD	
COc1cc(Br)cc(CN(C)CCC2CC2)c1O	92067071	OXBGWBJDXYHFAZ-UHFFFAOYSA-N	314.223	3.395	10	20	DGCD	
CC[C@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1O	527997624	JBWYABWKRBQIJK-HOCLYGCPSA-N	314.360	3.135	10	20	DGCD	
CCS(=O)(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1	276383820	ZJPJRHDKZRTJJE-UHFFFAOYSA-N	318.442	3.158	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCO[C@@H](C(C)C)C2)c1	273482397	MFKGBYUPMIJIIT-RVSPLBMKSA-N	321.417	3.033	10	20	DGCD	
CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccncc1	273588295	OKANEGXOUXJABF-IAQYHMDHSA-N	301.346	3.497	10	20	DGCD	
Cc1ccncc1/C=C/C(=O)NCc1ccc2c(c1)CCCN2C	272983924	VCVXUSIVGOPWKJ-SOFGYWHQSA-N	321.424	3.102	10	20	DGCD	
CCCN(Cc1n[nH]c(C(C)(C)C)n1)Cc1ccccc1O	292600465	LEOJKDQBVZZHDQ-UHFFFAOYSA-N	302.422	3.220	10	20	DGCD	
COCCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1	800048556	FACGZJPVKSZJQF-ZDUSSCGKSA-N	324.852	3.229	10	20	DGCD	
COC(=O)CN(Cc1cc(Cl)c(F)cc1O)C1CCCC1	816516088	UWHJYFFDLHMLBB-UHFFFAOYSA-N	315.772	3.102	10	20	DGCD	
Cc1nnc(CCN[C@@H](C)c2cc(Cl)cc(C)c2O)s1	810242361	ADGLKBGLRAQDBU-VIFPVBQESA-N	311.838	3.407	10	20	DGCD	
OC[C@H](CNCc1c(O)ccc(Cl)c1F)C1CCCCC1	815150750	NCIABQYDYLJPNE-LBPRGKRZSA-N	315.816	3.463	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H]3C[C@H](C)O[C@H](C)C3)C2)cc1	818222795	VZKRNAGTOLHHCC-YYIAUSFCSA-N	318.461	3.067	10	20	DGCD	
Oc1cccc(Cl)c1CNc1nc2cc(Cl)ccn2n1	811840447	ZCEBHSOARZHGJS-UHFFFAOYSA-N	309.156	3.354	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H](O)CCc1ccccc1	816568463	HNDQJYCDDULVJC-AWEZNQCLSA-N	323.795	3.268	10	20	DGCD	
OC[C@H](CNCc1ccc2ccccc2c1O)Cc1ccco1	816556144	BBDRIBDCHPSBCZ-AWEZNQCLSA-N	311.381	3.079	10	20	DGCD	
C[C@H]1C[C@H](NCc2cc(Br)ccc2O)c2nccn21	825017448	RSQARMQUBYRPTN-CABZTGNLSA-N	322.206	3.147	10	20	DGCD	
O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccccc1O	729530052	USVHIEFRLWTIOW-UHFFFAOYSA-N	324.302	3.139	10	20	DGCD	
COc1ccc(NC(=S)NNc2ccccc2F)cc1F	726450271	OACMQSQRHVXFBV-UHFFFAOYSA-N	309.341	3.287	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(CF)cc1	827955325	DWHJFFAWCGHQCS-UHFFFAOYSA-N	300.377	3.461	10	20	DGCD	
Cc1cc(C(=O)N[C@H]2CS[C@H](C)C2)c(C)n1-c1ccccn1	839829430	HMHIQRIUNOSONL-TZMCWYRMSA-N	315.442	3.113	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1nc(-c2ccccc2)n[nH]1	733900751	FIRMBXSPRFFGJY-UHFFFAOYSA-N	314.776	3.121	10	20	DGCD	
Cc1cnc(CCNCc2cc(Cl)cc(Cl)c2O)cn1	835061456	LFQUEUSSKKPSOQ-UHFFFAOYSA-N	312.200	3.130	10	20	DGCD	
O=C(NCc1ccc(O)cc1O)[C@H]1C[C@]12CCCc1ccccc12	910950150	DETHFAQFAAKJDJ-XLIONFOSSA-N	323.392	3.008	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F	839922243	SJTGRBODORAACP-ZWNOBZJWSA-N	320.330	3.009	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H](OC)C1CC1	838702057	RHMVSESWNKBYNZ-SUMWQHHRSA-N	320.433	3.127	10	20	DGCD	
CC1(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	748098533	GQUHXCAVYSZMDT-UHFFFAOYSA-N	303.406	3.475	10	20	DGCD	
COc1cccc([C@H](C)NCCOc2ccc(F)cc2)c1O	846144621	MQKNBTBDCJWQCS-LBPRGKRZSA-N	305.349	3.270	10	20	DGCD	
NCC[C@H]1CCCCN1Cc1ccc(N2CCCCC2)cc1	843122465	CYZDNLAKZGGNMX-GOSISDBHSA-N	301.478	3.380	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CN[C@H](C)Cn3cncn3)c2C)c1	742724806	BGCKAAXQNGISGQ-OAHLLOKOSA-N	323.444	3.172	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@H]1NCCc2ccccc21	841069362	VMWALLSBTJOXHT-MRXNPFEDSA-N	302.805	3.022	10	20	DGCD	
C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1ccc(N(C)C)cc1	840287962	BTKNCBWUHIKFQW-SNVBAGLBSA-N	304.325	3.368	10	20	DGCD	
COCCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	747354720	PGBAPQYFLCUXLY-UHFFFAOYSA-N	320.820	3.053	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1CC(F)(F)F)c1c(O)cccc1F	926922210	IOQXFTMSTQSTTM-WDEREUQCSA-N	320.330	3.209	10	20	DGCD	
CCS(=O)(=O)c1ccc(COc2ccc(N(C)C)cc2)cc1	842043827	ONMOUWMOULOCRT-UHFFFAOYSA-N	319.426	3.125	10	20	DGCD	
O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cc(O)cs1	743474256	JOHQRFOKCCSOCG-LLVKDONJSA-N	301.289	3.487	10	20	DGCD	
COC(=O)c1ccoc1CN(C)c1ccc(OC(C)C)cc1	759933577	NHTVYFSVOVHMFU-UHFFFAOYSA-N	303.358	3.490	10	20	DGCD	
CN(C)Cc1cccc(CNCc2ccc3c(c2)CCCO3)c1	921505506	ZDJXCTVRDBBHBS-UHFFFAOYSA-N	310.441	3.363	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NOCC(F)F)c1C	759341848	GVWMBZYPQDRCDI-UHFFFAOYSA-N	308.328	3.329	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)Cc2ccco2)c1	756381169	XTRSYBXELXKYOX-VXGBXAGGSA-N	303.358	3.054	10	20	DGCD	
COc1ccc(O)c(CNCc2c(C)ccc([N+](=O)[O-])c2C)c1	873049914	IGUFTIUPKXQJMF-UHFFFAOYSA-N	316.357	3.216	10	20	DGCD	
CN(C)c1ccc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1F	877856543	DRDPHLPIPPHBEE-HNNXBMFYSA-N	321.440	3.147	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2cnccc12	773751694	UGYWLWZMPDDXBT-GFCCVEGCSA-N	322.364	3.007	10	20	DGCD	
CCn1cc(NC(=S)N[C@@H](C)c2ccc(N(C)C)cc2)cn1	774259617	WSSDVJMRWZFYAC-LBPRGKRZSA-N	317.462	3.017	10	20	DGCD	
COc1cccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)c1O	877526530	SHDIGNMWJCJTIB-UHFFFAOYSA-N	316.357	3.216	10	20	DGCD	
CCOCc1cc(CNC[C@H]2CCC[C@H]2OC)ccc1OC	774831743	YGQRTXAENZWZCU-NVXWUHKLSA-N	307.434	3.136	10	20	DGCD	
C[C@@H](NC(=O)c1ccc2n[nH]cc2c1)c1ccc(N(C)C)cc1	775402098	BAJKGYQJVQMWBS-GFCCVEGCSA-N	308.385	3.120	10	20	DGCD	
CC[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N(CC)CC	775406616	YUIHIYMDNOBKQU-YOEHRIQHSA-N	305.466	3.050	10	20	DGCD	
CC(C)(C)c1ccc(O)c(NC(=O)c2c(F)ccc(O)c2O)c1	789993406	AWEVXOZMGHHBQT-UHFFFAOYSA-N	319.332	3.492	10	20	DGCD	
Oc1c(F)cc(F)cc1CN1CCO[C@@H](c2ccc(F)cc2)C1	893945590	GCNXDCZSJQQACJ-MRXNPFEDSA-N	323.314	3.383	10	20	DGCD	
CCN1CC[C@H](N(C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C	894044004	HPYDSVDCAQGCFT-HOCLYGCPSA-N	306.450	3.014	10	20	DGCD	
CCc1ccc(C(=O)NCCCSc2nccs2)c(O)c1	786972384	BZBPBQWVDIIXOX-UHFFFAOYSA-N	322.455	3.323	10	20	DGCD	
CCOc1ccc(CNc2ccc(OCCCO)cc2)c(O)c1	796520676	CBJVAWBAHXFZGK-UHFFFAOYSA-N	317.385	3.164	10	20	DGCD	
CC[C@@H](NCC1CCN(C(=O)OC)CC1)c1ccc(F)cc1O	797089317	CBPGYNOJELXQDH-OAHLLOKOSA-N	324.396	3.050	10	20	DGCD	
CC(C)CCOCCNCc1cccc(Br)c1O	45094408	URUIXDGXBUGDRN-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C	1320509420	PYQQJFKMXYRFOY-JKSUJKDBSA-N	319.468	3.055	10	20	DGCD	
C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)n1cccc1	1342798838	ITKICBIHNYKRFI-SECBINFHSA-N	313.184	3.378	10	20	DGCD	
CSC1CCN(C(=O)NCc2ccc(N(C)C)cc2C)CC1	1261960902	KNKXBQYXGCWTAJ-UHFFFAOYSA-N	321.490	3.098	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)/C=C(/C)C3CC3)CC2)cc1	1341089848	HGUPSQDUYVWNPB-PFONDFGASA-N	314.429	3.090	10	20	DGCD	
CCC[C@@H](NCc1cc(OC)cc(C(C)(C)C)c1O)C(=O)O	1605354834	XWWVGUQSEAUETL-CQSZACIVSA-N	309.406	3.041	10	20	DGCD	
C[C@@H](NCC[C@@H](C)N1CCCCC1)c1cc(C(=O)O)ccc1O	1609779462	PSQCXRKDCRFTIZ-ZIAGYGMSSA-N	320.433	3.006	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@@H](CC(=O)O)[C@@H]1C	1610466127	DTNDTDHEXVTJMP-GRDNDAEWSA-N	304.434	3.040	10	20	DGCD	
CC[C@H](C)CC(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1	1752627526	JSTGPLVIRIPAHZ-JQFCIGGWSA-N	318.461	3.177	10	20	DGCD	
CCN(C)c1ccc(CN2[C@@H](C)[C@@H](C(=O)O)CC[C@H]2C)cc1	1776855602	OREDHMOYMSJQCG-KEYYUXOJSA-N	304.434	3.216	10	20	DGCD	
COc1cc(CNCc2ccc(C(=O)O)cc2O)ccc1Cl	1777309632	YQGCPCGEPOJXOE-UHFFFAOYSA-N	321.760	3.042	10	20	DGCD	
CCN1CCc2cc(CN[C@@H]3CCCC[C@@H]3CC(=O)O)ccc21	1776877636	NUZYDUZJSGINCE-NVXWUHKLSA-N	316.445	3.192	10	20	DGCD	
Nc1ccc(CC(=O)NCC2(Cc3ccccc3)CCC2)cc1	163041801	SYHHRFZEFQIIOH-UHFFFAOYSA-N	308.425	3.341	10	20	DGCD	
C[C@@H]1C[C@H](NCc2cc(Cl)cc(Br)c2O)CO1	708114987	QQQHOMVCAZQMGD-XCBNKYQSSA-N	320.614	3.075	10	20	DGCD	
CSC1(CNCc2cc(Br)cc(F)c2O)CC1	715789161	NLGDUSSUUOZASQ-UHFFFAOYSA-N	320.227	3.279	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ncccc1C	66703899	LSNUKHYFXLWUFZ-UHFFFAOYSA-N	313.401	3.217	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c1O	74091699	WVKNESUHYCBHDM-UKRRQHHQSA-N	320.433	3.415	10	20	DGCD	
CCC(CC)[C@@H](O)CNCc1cc(Br)ccc1O	111404440	LRHACHSRRNEGHD-AWEZNQCLSA-N	316.239	3.041	10	20	DGCD	
Oc1cccc(Cl)c1CNCCc1ccc2c(c1)OCCO2	113313496	SCSZUIKPODQGDN-UHFFFAOYSA-N	319.788	3.149	10	20	DGCD	
c1cnc2ncnc(NCCCSc3nccs3)c2c1	119465127	AXLBBUWDYGWGKA-UHFFFAOYSA-N	303.416	3.076	10	20	DGCD	
CCOc1ccc(N(C)CC(=O)Nc2ccc(F)cc2F)cc1	150731703	VZQYXHZZNKFLLE-UHFFFAOYSA-N	320.339	3.438	10	20	DGCD	
CCCC1(CNC(=O)NCc2cccc(OC)c2O)CCC1	155335040	FKBPUTONGWBEPK-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
CCOC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)o1	156471450	NPSLCPIFNXSJCJ-UHFFFAOYSA-N	316.401	3.154	10	20	DGCD	
Cc1ccc(C(=O)NCCc2ccc(Cl)s2)c(O)c1O	179433924	CHUCIZBMWAYDHB-UHFFFAOYSA-N	311.790	3.094	10	20	DGCD	
CC(=O)Nc1ccc(CCN[C@@H](C)c2ccc(F)cc2O)cc1	185338020	CSIVZOCMIVJCGM-LBPRGKRZSA-N	316.376	3.383	10	20	DGCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(CC)c1	189422024	JOAJCRNAMVFWIK-UHFFFAOYSA-N	321.398	3.154	10	20	DGCD	
CC[C@@H](NC[C@@H](C)OC)c1cc(Br)ccc1O	191206464	HKPPQDLQBBOIMT-BXKDBHETSA-N	302.212	3.230	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(Cc2ccccn2)C2CC2)cc1	193102900	MDNUKFMFTCYLAD-UHFFFAOYSA-N	324.428	3.022	10	20	DGCD	
C[C@H](CC[S@@](C)=O)N[C@H](C)c1ccc2ccccc2c1O	252817044	XNEPSSSMAKZCFV-SQHYZVFZSA-N	305.443	3.353	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](c2ccsc2)N(C)C)c1	273297312	AKABCRSSKRIWLK-WBMJQRKESA-N	320.458	3.416	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(C)ccc2O)[C@@]12CCCO2	274274094	XDURTXNIISQXKK-RUGDWHBFSA-N	305.418	3.078	10	20	DGCD	
CCCCN(Cc1cc(=O)c(OC)co1)Cc1ccccc1O	282375266	FOUQVMLTVOSAHP-UHFFFAOYSA-N	317.385	3.156	10	20	DGCD	
C[C@H](NC[C@]1(CO)C[C@H]1c1ccccc1)c1cc(F)ccc1O	289846545	QEWVNDGLWGECRD-IXDGSTSKSA-N	315.388	3.348	10	20	DGCD	
CCOC(=O)CCCCCSc1ncc(C(=O)OC)s1	295155429	FWBQZKKQPAWJCU-UHFFFAOYSA-N	317.432	3.145	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCC1(F)F	297563331	KPVXHHKTKGSHEM-CYBMUJFWSA-N	312.360	3.359	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2cccnc2OC(C)C)c1	320447656	JFPWKTLBJKYYJO-CYBMUJFWSA-N	316.401	3.434	10	20	DGCD	
Cc1c(CNC(=O)CCc2ccncc2)n(C)c2ccccc12	352112660	VPQRSTBYJHXJBS-UHFFFAOYSA-N	307.397	3.131	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CSC[C@H]3C)CC2)cc1	367705417	HAHDVBYEUZEGEY-DYVFJYSZSA-N	306.475	3.005	10	20	DGCD	
CC[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(C)cc1O	377580359	BPLNGMKORGTFRJ-FRQCXROJSA-N	313.397	3.236	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(-c2cn[nH]c2)c1	378543213	PSHPLOYRRQYQBJ-FNORWQNLSA-N	321.336	3.140	10	20	DGCD	
C[C@@H]1CCC[C@]1(C)C(=O)N1CCOc2cc(N(C)C)ccc21	410533572	JTOZOGCYDJPVFD-ACJLOTCBSA-N	302.418	3.304	10	20	DGCD	
Cc1ncsc1/C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1	588521499	QZJCFQIRDUUCDN-KTKRTIGZSA-N	315.442	3.189	10	20	DGCD	
Oc1cc(Br)ccc1CNC[C@H]1CCCSC1	701094923	RQHMQQPRMMFARQ-SNVBAGLBSA-N	316.264	3.388	10	20	DGCD	
c1ccc(COC2CC(NCc3ccc4c(c3)CCO4)C2)cc1	716286744	TYZFHFRUZDFFKT-UHFFFAOYSA-N	309.409	3.459	10	20	DGCD	
COc1ccc(Cl)cc1CN(C)C(=O)c1cc(O)cs1	731868288	AMUUTYUGVKGRTE-UHFFFAOYSA-N	311.790	3.388	10	20	DGCD	
CCOc1ccc(N(C)C[C@H](O)COc2ccc(F)cc2)cc1	739923159	YKDBUSNNPOPEMI-INIZCTEOSA-N	319.376	3.101	10	20	DGCD	
C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F	742523966	IQPKVYVEXTYHFG-NSHDSACASA-N	314.351	3.442	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)c1	756454355	MBLVPGBGKYUZDG-FZKCQIBNSA-N	320.477	3.418	10	20	DGCD	
C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1O	756536934	XINVFMYAPQVYJR-JTQLQIEISA-N	322.311	3.472	10	20	DGCD	
C[C@H](N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(Cl)ccc1O	756582131	GJWDGBXSBHTWNM-SGMGOOAPSA-N	324.852	3.343	10	20	DGCD	
C[C@H](CCOC(=O)c1cccc(O)c1O)OCc1ccccc1	758558899	OGSXHGZKZKMFIL-CYBMUJFWSA-N	316.353	3.250	10	20	DGCD	
CCN(C)c1ccc([C@H](C)NCCCNc2ncccn2)cc1	766515154	AOFMBLYAJKVAEQ-HNNXBMFYSA-N	313.449	3.086	10	20	DGCD	
COC(=O)C[C@H]1CCCCN1Cc1cc2c(cc1O)CCCC2	768440053	NGSCRYQSULSLQA-QGZVFWFLSA-N	317.429	3.189	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)CC(C)(C)C2)c1O	775060016	DXOTVFXPPMSQLS-NSHDSACASA-N	308.378	3.177	10	20	DGCD	
COc1ccc(O)c(CNc2ccc3c(c2)CCCC(=O)N3)c1	777497610	XZEWEFIGMCVGKA-UHFFFAOYSA-N	312.369	3.288	10	20	DGCD	
Cc1ccc2nc(NC(=O)c3c(F)ccc(O)c3O)sc2c1	789975324	XDEHVFZLBVLVMS-UHFFFAOYSA-N	318.329	3.407	10	20	DGCD	
CN(C)c1ccc(CN2CCSCC2)c(C(F)(F)F)c1	792779055	YYTVUHKTDBBRMJ-UHFFFAOYSA-N	304.381	3.320	10	20	DGCD	
CN(Cc1cn[nH]c1)Cc1ccc(N(C)C)cc1C(F)(F)F	792828381	UNVRCXOZGHDUCP-UHFFFAOYSA-N	312.339	3.127	10	20	DGCD	
COc1ccc(CNC(=O)NC2C[C@@H](C)C[C@H](C)C2)c(O)c1	792954536	LCGLZRFPYGJGJP-RYUDHWBXSA-N	306.406	3.025	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](CO)CC2CCCC2)c1	798938083	RKEGAPBQRUQVFW-ZFWWWQNUSA-N	307.434	3.240	10	20	DGCD	
COc1ccc(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)c(O)c1	799735580	ZLMFOXBEWUJSSG-ZDUSSCGKSA-N	308.381	3.139	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)OCC(F)(F)F	805136024	ZFEMJDROZUVHLN-UHFFFAOYSA-N	318.078	3.488	10	20	DGCD	
O=C(CC[C@@H]1CCOC1)NCc1cc(Cl)cc(Cl)c1O	807840286	XDPBBSWOMIDCGM-SECBINFHSA-N	318.200	3.132	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN=c1ccc2ncc[nH]c-2n1	808089986	NYRQMCUQUFRDIC-UHFFFAOYSA-N	321.167	3.023	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCc1cnc2cnccn12	809775572	DSZXASMDUVHJSB-UHFFFAOYSA-N	323.183	3.032	10	20	DGCD	
CN(C)c1ccc(CNc2cccc3nc(O)oc23)cc1F	810161896	SFRJAZONCUEHJU-UHFFFAOYSA-N	301.321	3.351	10	20	DGCD	
C[C@@H]1CN(c2cccc(F)c2)CCN1Cc1cc(F)ccc1O	814178064	ANMMWXKADZESPJ-CYBMUJFWSA-N	318.367	3.381	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CC2(CCOCC2)[C@H]1C1CC1	816657427	RRXUDKDGQXXNMU-MRXNPFEDSA-N	307.821	3.437	10	20	DGCD	
OCC[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)CC1	817418788	GMAJLIIUWYJBNW-LLVKDONJSA-N	301.789	3.169	10	20	DGCD	
C[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	817940733	HMYZVRCSHRITFZ-XMCHAPAWSA-N	309.457	3.276	10	20	DGCD	
CC[C@@H](N)CN[C@H](C)c1cc(Br)cc(Cl)c1O	817979326	JMRUBEBPHQOYOJ-VXNVDRBHSA-N	321.646	3.196	10	20	DGCD	
CC[C@@H](N[C@H](C(=O)N(C)CC)C(C)C)c1ccc(N(C)C)cc1	834880338	UVBZFOLLSHKSMW-MSOLQXFVSA-N	319.493	3.296	10	20	DGCD	
CC(F)(F)CNC(=O)NCc1cc(Cl)cc(Cl)c1O	836479983	USAWPQUCUXWNLC-UHFFFAOYSA-N	313.131	3.153	10	20	DGCD	
C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccc(N(C)C)cc1	836782985	OXUCGFAEJNWWLS-JEBQAFNWSA-N	309.413	3.129	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CC1(Cl)Cl	838667638	IKZJOMRKQZEPHU-ZDUSSCGKSA-N	317.216	3.118	10	20	DGCD	
COc1ccc(C[C@@H](C)NCCc2ccc(N)cc2)cc1OC	841033779	BBJPMCOXNZXTRK-CQSZACIVSA-N	314.429	3.049	10	20	DGCD	
CN(C)c1ccc(CN[C@H]2CCCC[C@H]2CCC(=O)O)cc1	841813042	SLVUYVPNWNZEIH-RDJZCZTQSA-N	304.434	3.266	10	20	DGCD	
CC1(c2ccccc2)CC(NC(=O)NCCc2ccc(N)cc2)C1	841895969	KIOGSTXEIWFUMT-UHFFFAOYSA-N	323.440	3.231	10	20	DGCD	
O=C(NCCCSc1nccs1)[C@@H]1C[C@@H]2C=C[C@H]1CC2	845505562	INRFJMZUWDXPMU-FRRDWIJNSA-N	308.472	3.344	10	20	DGCD	
CCc1cccc(CN2CC[C@H](CN(C)CC3CC3)C2)c1O	848889388	JIEQAMGYPBGSLF-MRXNPFEDSA-N	302.462	3.118	10	20	DGCD	
Cc1cc(NC(=O)[C@@H](C)Sc2ncc(Cl)s2)on1	849998326	DLTSYEFALZGREI-ZCFIWIBFSA-N	303.796	3.212	10	20	DGCD	
CC[C@@H]1OCC[C@H]1NCc1cc(OC)cc(C(C)(C)C)c1O	850325108	UPMWQLXFBURWED-CVEARBPZSA-N	307.434	3.355	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)NCCN(C)CC(F)F)c1O	858596945	RFWDFELNJCWBCJ-SNVBAGLBSA-N	306.784	3.202	10	20	DGCD	
C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1C(=O)O	863740377	UTBUCKBZCIGREO-YJBOKZPZSA-N	316.445	3.220	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1C[C@]1(C)c1ccccc1)c1ccccc1O	868308893	CTNBHDVQZNFSLK-OMWUSAIZSA-N	310.397	3.483	10	20	DGCD	
Cc1cccc(O)c1CNc1cccc(CN2CCOC2=O)c1	876825703	QHCHFSOQMKBXHS-UHFFFAOYSA-N	312.369	3.265	10	20	DGCD	
Cc1ccc(C(=O)CCC(=O)N(C)c2ccc(N)cc2)s1	877075566	GZJLVPFUOZKZGX-UHFFFAOYSA-N	302.399	3.265	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCOC2(CCC2)C1	896057745	NGZZFEQNMNLDJG-HNNXBMFYSA-N	317.429	3.480	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC[C@H](Cc3nc(C)no3)C2)c1	902584575	MXIVBNDBZQPPLB-OAHLLOKOSA-N	315.417	3.155	10	20	DGCD	
CCOCCOCCN[C@@H](CC)c1cccc(Cl)c1O	927087227	OVHQWMIZNNPISX-AWEZNQCLSA-N	301.814	3.139	10	20	DGCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2	935945180	NTPCVJUCBBVERL-LXIYXOSZSA-N	308.418	3.320	10	20	DGCD	
CC(C)c1nc(CNC[C@H](N)c2ccc(N(C)C)cc2)cs1	1118019621	QENWPBVABQWGJZ-INIZCTEOSA-N	318.490	3.122	10	20	DGCD	
CC(C)[C@H]1C[C@H](C(=O)Nc2c(Cl)ccc3nonc23)CCO1	1262487838	HPZYWBDWAUDWGW-BXKDBHETSA-N	323.780	3.266	10	20	DGCD	
CCOc1cccc(CN(Cc2ccccc2)[C@H](C)CO)c1O	1320508870	JLEJELFDJMIYML-OAHLLOKOSA-N	315.413	3.174	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cnn(C2CCC2)c1	1337838542	OWDVTMRVSKMYFP-UHFFFAOYSA-N	317.736	3.050	10	20	DGCD	
C[C@H]1CCN(c2nnc(-c3sccc3O)n2C)CC1(C)C	1338750648	MZRDBRYFVIIZLK-JTQLQIEISA-N	306.435	3.122	10	20	DGCD	
C[C@H](c1nnc(N(C)Cc2ccccc2O)n1C)C1CCC1	1338884261	XECGTGRJNUFJLU-LBPRGKRZSA-N	300.406	3.061	10	20	DGCD	
CC(C)c1ccc(O)c(CN2CCC3(CC2)C[C@H]3C(=O)O)c1	1604002771	MSZIFJZBVWEUPR-HNNXBMFYSA-N	303.402	3.202	10	20	DGCD	
CN(C)c1ccc(OCc2cnc(Cl)s2)cc1C(=O)O	1606060996	TZASTIJZAJHNSQ-UHFFFAOYSA-N	312.778	3.140	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)CCCC(=O)O)cc1	1607766156	OPWFEHOLSDDOFS-UHFFFAOYSA-N	314.385	3.031	10	20	DGCD	
CC(C)(C)c1cnc(CNCc2ccc(C(=O)O)cc2O)s1	1776277222	YTROZXLZEGWJFI-UHFFFAOYSA-N	320.414	3.134	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CCC[C@H]3C[C@@H]32)cc1	1776861167	JSPFEEHCZVMECK-VDZJLULYSA-N	316.445	3.266	10	20	DGCD	
CCN1CCc2cc(CN[C@H](CC(C)(C)C)C(=O)O)ccc21	1776877062	KACCMXXBCZYATB-OAHLLOKOSA-N	304.434	3.048	10	20	DGCD	
CC[C@@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1C	5263775	WCPLCKMGPXEQHT-GFCCVEGCSA-N	303.431	3.094	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCN2CCCC[C@H]12	36996932	MYDSITRPJURHJA-UONOGXRCSA-N	315.244	3.415	10	20	DGCD	
COc1ccc(N(C)CCOc2ccccc2C#N)cc1OC	63617998	DLFXCGGWYUAXIF-UHFFFAOYSA-N	312.369	3.091	10	20	DGCD	
CC(C)CCO[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	69960787	JSIGXGVSWZZKTH-OAHLLOKOSA-N	318.461	3.136	10	20	DGCD	
CC(C)c1noc(CCN[C@@H](C)c2ccc(N(C)C)cc2)n1	89577871	RPOQRAVFMDTKQH-ZDUSSCGKSA-N	302.422	3.152	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccnc2Cl)c1	103503261	HJTUVLWGBURBSS-SECBINFHSA-N	321.764	3.332	10	20	DGCD	
CN1C(=O)/C(=C/c2cccc3c2OC(C)(C)C3)SC1=S	133394839	DJUVNECOKLTRCH-XFFZJAGNSA-N	305.424	3.231	10	20	DGCD	
CSCCN[C@H](C)c1cc(Br)cc(F)c1O	134907965	AZHZDLMOPSAECS-SSDOTTSWSA-N	308.216	3.307	10	20	DGCD	
C[C@H](CC(=O)NCCc1ccc(N)cc1)c1cccc(F)c1	152518811	HOSZNTFPFASDGK-CYBMUJFWSA-N	300.377	3.260	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC1(Cl)Cl	156349991	AGRMBVDYBJOAKD-GFCCVEGCSA-N	314.212	3.081	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1nc2ccccc2o1	175029722	OHBPOWNYPREVCR-UHFFFAOYSA-N	309.369	3.293	10	20	DGCD	
C[C@@H](N(C)C(=O)NCc1ccc2c(c1)CCCN2C)C1(C)CC1	176466186	UBEKYIAADVMQSN-CQSZACIVSA-N	315.461	3.399	10	20	DGCD	
CN(C)c1ccc(CNC(=O)C2(Cc3ccccc3)CC2)cc1	176885422	HTAVOWJJPFEHAY-UHFFFAOYSA-N	308.425	3.392	10	20	DGCD	
CC(C)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	181086642	JLFMGQYSXCUCJM-VFADXPBXSA-N	303.402	3.396	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)c2nc(C(C)C)no2)c1	182431989	LEOVLLKSAJRRHR-QWRGUYRKSA-N	305.378	3.319	10	20	DGCD	
COC[C@H](NCc1cc(Cl)cc(OC)c1O)c1ccco1	184709702	YTROWUWEJJAUMR-LBPRGKRZSA-N	311.765	3.125	10	20	DGCD	
Cn1ccc2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c21	188132468	HMXQHSGEUMSQOU-SOFGYWHQSA-N	308.337	3.241	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)ccc1F	190394224	AQWGJVPQKDDBJP-SECBINFHSA-N	322.311	3.129	10	20	DGCD	
Cn1nc(C2CCCCC2)cc1NC(=O)c1cccc(O)c1O	193137188	GOTQBKNEHQWKKB-UHFFFAOYSA-N	315.373	3.131	10	20	DGCD	
COc1cc(Cl)cc(CNCCCCOC(C)C)c1O	230935783	JPFTWRWWBJMAMQ-UHFFFAOYSA-N	301.814	3.349	10	20	DGCD	
CC[C@@H](CNC(=O)Cc1ccc(N)cc1)Oc1ccccc1C	236961032	CPGXLPXEBVLHDR-KRWDZBQOSA-N	312.413	3.094	10	20	DGCD	
COc1ccc(O)c(CNc2cccc(-c3n[nH]c(C)n3)c2)c1	237364404	JTQHDEZCTYKQRB-UHFFFAOYSA-N	310.357	3.106	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)[C@H](OC)c2ccc(F)cc2)c1	271850141	SWSOWQVVIZJRFY-XIKOKIGWSA-N	319.376	3.406	10	20	DGCD	
CC[C@H](NCCCN1CCCO[C@@H](C)C1)c1ccc(C)cc1O	280233418	VKSXAKOCNDAMPZ-WMZOPIPTSA-N	320.477	3.242	10	20	DGCD	
Cc1cc(O)c(CNC2CCN(c3nccs3)CC2)cc1C	282147155	HLSKQSGDDJVIEG-UHFFFAOYSA-N	317.458	3.224	10	20	DGCD	
CC1(C)CC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1	284391841	PHLZJGAHYVPBBG-SFHVURJKSA-N	302.462	3.174	10	20	DGCD	
Oc1ccccc1CN(CC1CC(F)(F)C1)C[C@H]1CCCO1	294877864	FRJVIPPAVDFANL-OAHLLOKOSA-N	311.372	3.419	10	20	DGCD	
CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	295656340	DNPTUIBVKVHPHL-NWANDNLSSA-N	305.418	3.361	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c1O	366659325	XGJIJNXLDZUUSW-CHWSQXEVSA-N	323.820	3.107	10	20	DGCD	
COc1cccc([C@H](CN[C@@H]2CCc3cccc(O)c32)OC)c1	527924353	GUAROTVBRGQKJW-AEFFLSMTSA-N	313.397	3.365	10	20	DGCD	
O=C(Nc1ccnn1CCc1ccccc1)c1cc(O)cs1	732281407	FYXINDWXIMKZPA-UHFFFAOYSA-N	313.382	3.145	10	20	DGCD	
Cc1cc(C)c(NC(=O)COC(=O)c2cc(O)cs2)c(C)c1	732354232	PTWZZMJUROKAAC-UHFFFAOYSA-N	319.382	3.174	10	20	DGCD	
CN(C(=O)/C=C\c1cnn(C)c1)c1cc(Cl)cc(Cl)c1	733227373	IHFLZSSENRMBKY-ARJAWSKDSA-N	310.184	3.403	10	20	DGCD	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NCc2ccc(N(C)C)c(F)c2)C1	733325267	HKVPUOXERXMMLD-BZUAXINKSA-N	321.484	3.348	10	20	DGCD	
Cc1ccc([C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)o1	742952742	PVCKECLVHFDJHG-ZDUSSCGKSA-N	314.385	3.183	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2C3CCCC2CCC3)cc1	743809919	NCUHEVXIUAHRSF-UHFFFAOYSA-N	301.434	3.369	10	20	DGCD	
CO[C@@H]1CCC[C@H](NCc2cccc(Br)c2O)C1	746756594	UVWZBMSDXILOKQ-NWDGAFQWSA-N	314.223	3.202	10	20	DGCD	
C[C@H](NCCOCc1ccccc1)c1cc([N+](=O)[O-])ccc1O	756634610	BFFUETGKZLULTI-ZDUSSCGKSA-N	316.357	3.168	10	20	DGCD	
C[C@H](N[C@H](C)[C@H](O)Cc1ccccc1)c1cc(F)cc(F)c1O	756757925	DAGZSCJAORNDQK-XWCIJXRUSA-N	321.367	3.313	10	20	DGCD	
Cc1ccc(O)c(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c1	758529668	QOYIGPLBBMDPAP-IEBWSBKVSA-N	315.388	3.096	10	20	DGCD	
Cc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)cnc1Cl	760216520	BURUUKXJUKEALG-YHYXMXQVSA-N	310.831	3.407	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCc1ccccc1F	763217537	DSBRBHGYDFIVRQ-VURMDHGXSA-N	302.301	3.036	10	20	DGCD	
COC(=O)C1(N(C)Cc2ccc(N(C)C)cc2)CCCCC1	769401500	KEJOPLKCTIFDHY-UHFFFAOYSA-N	304.434	3.060	10	20	DGCD	
Cc1ccccc1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773083902	LCNUHQRNYNXAEH-CQSZACIVSA-N	318.442	3.101	10	20	DGCD	
CC[C@H](C)CN(CC)Cc1ccc(N2CCN(C)CC2)cc1	775732575	OYTNKJVBAKRNNM-KRWDZBQOSA-N	303.494	3.306	10	20	DGCD	
CC(C)[C@@H]1C[C@@H](NCc2c(O)ccc(Cl)c2F)CCO1	790982726	XNACOSFLAXEYFG-HZMBPMFUSA-N	301.789	3.478	10	20	DGCD	
COCCC1(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCC1	793166241	FWUZTMSERXBAJZ-CQSZACIVSA-N	319.449	3.072	10	20	DGCD	
CC[C@H](N[C@H](CO)Cc1ccccc1C)c1ccc(F)cc1O	796959209	LVPHIPBKPZRZGX-WMZOPIPTSA-N	317.404	3.484	10	20	DGCD	
CCN(CC)c1ccc(CNC2(CN(C)C)CCC2)cc1F	798502627	SXPTZVXVFJQASQ-UHFFFAOYSA-N	307.457	3.246	10	20	DGCD	
COc1ccc(O)c(CN(C)CCCOCc2ccccc2)c1	798964514	NKSVECZRZJEUEM-UHFFFAOYSA-N	315.413	3.440	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1c(C)n[nH]c1C	801548194	BJVWQTCGWCHVAM-UHFFFAOYSA-N	315.417	3.104	10	20	DGCD	
CN(C)CCN(Cc1cc(F)ccc1O)Cc1ccccc1F	809732157	FDZWVSUNJHYQJC-UHFFFAOYSA-N	320.383	3.234	10	20	DGCD	
CC[C@@H](NCc1nonc1C)c1ccc(C(F)(F)F)cc1O	811506774	FGQQHCGXZFEMHW-LLVKDONJSA-N	315.295	3.343	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC2CCN(CC(F)F)CC2)c(O)c1	815571529	GGYGGMULZPYWHX-ZDUSSCGKSA-N	312.404	3.389	10	20	DGCD	
C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1Cc1ccccc1O	817412429	KYLFNLAHHLOWRH-ZFWWWQNUSA-N	305.418	3.334	10	20	DGCD	
CC(C)(CCNCc1ccc(N2CCCCC2)cc1)C(=O)O	818629200	VSGUHLYHCWTWAC-UHFFFAOYSA-N	304.434	3.267	10	20	DGCD	
C[C@H]1CN(Cc2ccc3ccccc3c2O)CCN(C2CC2)C1	824445648	JHKXVXVLAYMURB-HNNXBMFYSA-N	310.441	3.462	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCC1CCN(CC2CC2)CC1	827844736	NOEHDAVWLNNHKL-UHFFFAOYSA-N	315.505	3.273	10	20	DGCD	
COC(=O)c1cnc(SCc2nnc(C(C)C)s2)s1	829677856	OVXCZMUYCKBCJE-UHFFFAOYSA-N	315.445	3.197	10	20	DGCD	
COc1ccc(N(CC(=O)N[C@H](C)C(C)C)CC2CC2)cc1	831582752	FTLNLIYUFPYGEF-CQSZACIVSA-N	304.434	3.072	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC(CF)CF)c2C)c1	833433928	LYAZSCFXOWMBJV-UHFFFAOYSA-N	306.356	3.440	10	20	DGCD	
CCN(CC)c1ccc(CNC2[C@H]3CC[C@H]2CC(N)C3)cc1	841072935	DGFBJKKTZWSLJQ-XNYRCJLNSA-N	301.478	3.138	10	20	DGCD	
C[C@H](N)[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1	843051923	MWBSZPGJMBJSAD-FUHWJXTLSA-N	301.478	3.236	10	20	DGCD	
CO[C@@H]1CCCC[C@H]1NCc1cc(Br)ccc1O	846058021	ZXRFQCOUFAVDBS-TZMCWYRMSA-N	314.223	3.202	10	20	DGCD	
COc1cc(CN[C@H]2CC[C@H](O)CC2)c(O)c(C(C)(C)C)c1	850224806	HJFSRQKYQBDWCT-HDJSIYSDSA-N	307.434	3.091	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCC2)cc1	858096205	WAZWTRXBKDBHMR-UHFFFAOYSA-N	310.397	3.072	10	20	DGCD	
CO[C@@H](C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863160809	BVQNSISOFRJOFX-HNNXBMFYSA-N	300.402	3.054	10	20	DGCD	
COCCOc1ccc(F)cc1NCc1c(C)cccc1O	876852553	YIDOSVLKXKTSKU-UHFFFAOYSA-N	305.349	3.477	10	20	DGCD	
Nc1ccc(OCc2cn(CCCc3ccsc3)nn2)cc1	881334023	LTLDVJISYZJVTO-UHFFFAOYSA-N	314.414	3.134	10	20	DGCD	
COc1ccc(CCNCc2cc(F)cc(F)c2O)c(OC)c1	882942717	NCFACQXCILZQGA-UHFFFAOYSA-N	323.339	3.020	10	20	DGCD	
COc1cc(C)cc(CNCC[C@H]2C[C@H](C)O[C@H](C)C2)c1O	894683618	BYAMKTWKZMBQEW-QDMKHBRRSA-N	307.434	3.393	10	20	DGCD	
Cc1nc2ccccn2c1CNCc1ccc(N(C)C)c(F)c1	898277164	VTCOLVLQTSJTCY-UHFFFAOYSA-N	312.392	3.138	10	20	DGCD	
CSCC(C)(C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	898305770	RCCANOMTGHXCSM-UHFFFAOYSA-N	304.799	3.185	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)CSCCO)c2C)c1	917400239	JWPLBDZRFQVPFH-UHFFFAOYSA-N	303.427	3.311	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)OCCn2cccn2)c1C	920263997	XTFJFWYUTPOWAP-UHFFFAOYSA-N	323.396	3.456	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)Nc1noc2c1CCCC2	934347616	VJMUDJIDHCQRHO-UHFFFAOYSA-N	321.764	3.234	10	20	DGCD	
c1coc([C@H]2CN(Cc3ccc(N4CCCC4)cc3)CCO2)c1	1337042238	IEPIHXQQRWOQGD-LJQANCHMSA-N	312.413	3.453	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccc(C(N)=O)cc1	1337786145	VDEVLGNCGBMLCT-WFASDCNBSA-N	310.397	3.138	10	20	DGCD	
CCCc1cc(C(=O)NCc2cccc(O)c2O)sc1C	1347531124	QKZLCIKIUNWEBJ-UHFFFAOYSA-N	305.399	3.350	10	20	DGCD	
CC(=O)Nc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1Cl	1575018322	IKZNKNDGSJECOD-UHFFFAOYSA-N	317.776	3.157	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CC[C@@H](N)C1	1577457838	GYJVHWFFBLCEJR-GOEBONIOSA-N	304.434	3.038	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCC2)c1cc(C(=O)O)ccc1O	1604346884	SZUZKMMNFBYOGF-LBPRGKRZSA-N	311.381	3.430	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@@H]2CCOC2)cc1	177309029	IOHFGFZGUQDMTC-INIZCTEOSA-N	312.413	3.203	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2cc[nH]n2)cc1	180911135	RVLGLUCKYIVUFT-KRXBUXKQSA-N	321.336	3.140	10	20	DGCD	
COc1ccccc1N(C)Cc1cc(F)cc(C(C)=O)c1O	315185234	YRUFRMNTZCLEHD-UHFFFAOYSA-N	303.333	3.379	10	20	DGCD	
CO[C@H](C)CCC(=O)NCc1ccc(N2CCC(C)CC2)cc1	183453624	NFIGUGSDFMITIL-MRXNPFEDSA-N	318.461	3.354	10	20	DGCD	
Oc1ccc(Cl)cc1CN1CCCN(CC(F)(F)F)CC1	129461547	FWFLOGSLZCZUNP-UHFFFAOYSA-N	322.758	3.116	10	20	DGCD	
CCOc1cccc(NC(=O)N(C)Cc2ccccc2O)c1	48120507	AEZNIFOJSSDSMZ-UHFFFAOYSA-N	300.358	3.455	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccccc2F)c1	131479222	USDYCVCMJBZPAE-GFCCVEGCSA-N	317.360	3.035	10	20	DGCD	
Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2)c(O)c1	185079381	FLFIJIMGXOXSLS-OAHLLOKOSA-N	312.413	3.010	10	20	DGCD	
Cc1cc(C(=O)N(C)CCO)c(C)n1-c1cccc(C(C)C)c1	195670167	MCGJPGSLJXVCAZ-UHFFFAOYSA-N	314.429	3.282	10	20	DGCD	
COc1ccc(N(C)Cc2ccccc2[N+](=O)[O-])c(OC)c1	131634297	ASIBWAYRMSNAKJ-UHFFFAOYSA-N	302.330	3.248	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CC1C[C@@H]2CC[C@H](C1)N2	236731681	ZNWIVSNSTBUWDP-ZXFUBFMLSA-N	316.445	3.052	10	20	DGCD	
Cc1ncc(/C=C\C(=O)N2CCOc3cc(F)ccc32)s1	255048924	BMXMYPHAEJBVBB-HYXAFXHYSA-N	304.346	3.029	10	20	DGCD	
COc1ccc([C@H](O)CN[C@H](C)c2ccc(N(C)C)cc2)cc1	268755259	LJWAEULXUFJHBM-AUUYWEPGSA-N	314.429	3.145	10	20	DGCD	
CCOc1ccc(O)c(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1	367684783	LLVGFASPQICZQO-JKSUJKDBSA-N	319.445	3.430	10	20	DGCD	
CC[C@@H]1C[C@@H](CC(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	272759019	PEPGOUOCUKYJLA-DZGCQCFKSA-N	322.424	3.103	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@@H](C)c1ccc(C)c(C)c1O	273431064	VQRJNMMBPGWVIE-HNNXBMFYSA-N	306.450	3.308	10	20	DGCD	
C[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1	271512912	NILWQJZOCOHSLV-KSSFIOAISA-N	316.420	3.146	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1cc(C)on1	801549941	HXZLDCBAJWLJMX-UHFFFAOYSA-N	302.374	3.060	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCC(=O)NC(C)(C)C	388550257	FRAAQRYNNNDKLJ-CHWSQXEVSA-N	304.434	3.143	10	20	DGCD	
Cc1c(CNC(=O)N2CCC(F)(F)C2)n(C)c2ccccc12	472227058	UXPUJJQGDILXAE-UHFFFAOYSA-N	307.344	3.037	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cccnc1OC	299654501	ODAGHJJALDEDST-UHFFFAOYSA-N	315.373	3.240	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2nc(C(F)(F)F)ns2)c1	804430609	BQLGRWJFBFEFKK-ZCFIWIBFSA-N	319.308	3.444	10	20	DGCD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1	800328540	OJZHBPOZCUVPRO-RKVPGOIHSA-N	316.445	3.107	10	20	DGCD	
CC[C@@H](N[C@H](C)c1ncc(C(=O)OC)s1)c1ccccc1O	818355064	BBRSOCHCDKVFMA-ZYHUDNBSSA-N	320.414	3.437	10	20	DGCD	
C[C@@H](CN1CCCCC1)NCc1cc(Cl)c(F)cc1O	816534730	SFJIUZWKUQNSQN-NSHDSACASA-N	300.805	3.149	10	20	DGCD	
COc1ccc([C@@H](O)CNCc2ccc3ccccc3c2O)cc1	816532501	KKGAQBOQXRSAEY-IBGZPJMESA-N	323.392	3.377	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN2CC(C)(C)[C@H]2C(C)C)c1O	816624849	JMHQAFLPIJJEBH-OAHLLOKOSA-N	308.378	3.175	10	20	DGCD	
C[C@H](N[C@H]1CCC[C@@H](N)C1)c1ccc(Br)cc1O	817970429	VDZGTFXEUCMYKY-WCQGTBRESA-N	313.239	3.075	10	20	DGCD	
C[C@@H](O)CN(Cc1ccc(N2CCCCC2)cc1)CC(F)F	825098170	BTYODEFIAHFGFK-CQSZACIVSA-N	312.404	3.125	10	20	DGCD	
CC[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@H](C)O	824921293	IMBIGHRKHQFONS-HZMBPMFUSA-N	304.356	3.020	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc3ccccn3c2)cc1F	733892425	AYIJCDSDWQTXGE-UHFFFAOYSA-N	311.360	3.074	10	20	DGCD	
COC[C@H](C)[C@H](C)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839921553	KZKKKULYBNUAAV-JYJNAYRXSA-N	320.477	3.027	10	20	DGCD	
COc1ccc(-n2c(C)cc(C(=O)O[C@H]3CCOC3)c2C)cc1	730402800	XGLBYXNFZXLCAZ-INIZCTEOSA-N	315.369	3.048	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1[C@@H]2CCC[C@@H]12	839920463	PSEJPQXOXMDTAH-IAOVAPTHSA-N	300.446	3.154	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccncc1C	839918818	DAFGKOSMBCMOPK-HNNXBMFYSA-N	311.429	3.125	10	20	DGCD	
CCC[C@H](C)C[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	900030818	JIRJOAFJJWITGL-XJKSGUPXSA-N	305.418	3.381	10	20	DGCD	
CC[C@H](C)[C@@H](OC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839921150	IBQJCXRBCIYKQF-JCKWVBRZSA-N	320.477	3.169	10	20	DGCD	
CCN(CCN[C@H]1CCc2cccc(O)c21)CCC(F)(F)F	834783308	FGNFFQUARCSRNA-ZDUSSCGKSA-N	316.367	3.243	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(OC(F)F)c1	588406292	GKUILNYXCKSATO-ALCCZGGFSA-N	321.279	3.351	10	20	DGCD	
CN(Cc1ccc(C(F)F)nc1)c1ccc(OCC(=O)O)cc1	902015964	HMSKJKDMBUKZAU-UHFFFAOYSA-N	322.311	3.119	10	20	DGCD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(O)c(O)c2)cc1C	830559952	XTIYWTKIBUHVIT-JKSUJKDBSA-N	311.381	3.135	10	20	DGCD	
CCN(C)c1ccc(CNC2(c3noc(C)n3)CCCC2)cc1	741754670	VADGSJUOQLSZRP-UHFFFAOYSA-N	314.433	3.393	10	20	DGCD	
COc1ccc(CCN[C@H](C)c2cccc(OC)c2O)cc1	846138517	TZHWCBOFNCBLLN-CYBMUJFWSA-N	301.386	3.303	10	20	DGCD	
CO[C@@H](CNC(=O)c1cc(O)cs1)c1cccc(Cl)c1	743756713	JYHRCWGDKKYJIO-LBPRGKRZSA-N	311.790	3.225	10	20	DGCD	
COc1ccc(N(C)CC(=O)Nc2cc(C)ccc2OC)cc1	844353297	LQCYVQBURQOTLV-UHFFFAOYSA-N	314.385	3.087	10	20	DGCD	
CCOc1ccc(N(C)CC2CCC3(CC2)OCCO3)cc1	753721402	AJXVAQQAIKTSHO-UHFFFAOYSA-N	305.418	3.455	10	20	DGCD	
Cc1cc(F)c(C(=O)COC(=O)c2cc(O)cs2)cc1F	754097173	ZIBULZZJOSJZKP-UHFFFAOYSA-N	312.293	3.080	10	20	DGCD	
Oc1ccc(Cl)cc1CNC[C@@H]1CCCN(CC2CC2)C1	853093794	RJJBDHJJTLUURJ-AWEZNQCLSA-N	308.853	3.257	10	20	DGCD	
CCn1cc([C@@H](C)NCc2c(O)cccc2Br)cn1	858173637	DPVBEBFPOANTPR-SNVBAGLBSA-N	324.222	3.222	10	20	DGCD	
CCC/C=C/C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	752151507	JCYFEULXWFXJBE-TUJADDFYSA-N	303.402	3.256	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2CC(C)C2)cc1	859820698	WRHVGUUTKMIASL-UHFFFAOYSA-N	324.424	3.364	10	20	DGCD	
C[C@@H]1C[C@H](NC[C@]2(N(C)C)CCSC2)c2c(O)ccc(F)c21	756638598	UWZGVILSYBXIRJ-BTJLNZGRSA-N	324.465	3.107	10	20	DGCD	
CN(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1	757705198	QXYLVFLTLSWMEL-UHFFFAOYSA-N	318.804	3.101	10	20	DGCD	
C[C@H](NC[C@H]1CCCN(CC2CC2)C1)c1cc(F)cc(F)c1O	853242054	ZUPRWVGLYZETHW-GXTWGEPZSA-N	324.415	3.443	10	20	DGCD	
C[C@H](N[C@H]1CCc2ccc(O)cc21)c1cc([N+](=O)[O-])ccc1O	850544609	YSLZWTUQKILWHL-QFYYESIMSA-N	314.341	3.344	10	20	DGCD	
COC[C@H](NCc1ccc(OC)c(C)c1)c1cccc(OC)c1	850362397	MYYOIWRVDICGKB-SFHVURJKSA-N	315.413	3.490	10	20	DGCD	
Cc1oc2ccccc2c1CNC(=O)NCc1ccccc1O	767941781	BGXGKBGOJVNBKE-UHFFFAOYSA-N	310.353	3.446	10	20	DGCD	
C[C@H]1[C@H](N2CCCC2)CCN1Cc1cc(F)c(N(C)C)cc1F	862366019	AJFUAOWMAAQBQO-SUMWQHHRSA-N	323.431	3.089	10	20	DGCD	
CC(=O)N(C)Cc1nnc(-c2cc(C)n(-c3ccccc3)c2C)o1	1117192818	NVLWJIVUZJAATD-UHFFFAOYSA-N	324.384	3.122	10	20	DGCD	
COc1cc(O)c(CNCc2ccc([C@H]3C[C@H]3C)o2)cc1OC	776024894	ZLJUZWPLYGTPJE-RISCZKNCSA-N	317.385	3.416	10	20	DGCD	
c1ccc([C@@H]2CCN2Cc2ccc(N3CCOCC3)cc2)cc1	771939301	PUHFCWNJXOGHEB-FQEVSTJZSA-N	308.425	3.470	10	20	DGCD	
C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@@H](C(F)(F)F)O1	775719089	BZHRWGPLIDIQQC-KCJUWKMLSA-N	309.715	3.197	10	20	DGCD	
CC(C)OCC[C@H](O)CSc1ncc(-c2ccccc2)n1C	788071886	ZMVBLRIEQQTQPN-HNNXBMFYSA-N	320.458	3.355	10	20	DGCD	
COc1cccc(O)c1CNCCc1ccc(F)c(F)c1F	784629065	LWRUFLWTPLAMGB-UHFFFAOYSA-N	311.303	3.150	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2scc(C)c2Cl)c1	790787615	JSPRUYDNENKGQS-UHFFFAOYSA-N	311.790	3.354	10	20	DGCD	
CC[C@@]1(O)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1	793091738	DXLMMBMUHZVHEX-OAHLLOKOSA-N	316.367	3.118	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	793797617	WERCBCWQHICXGB-NWANDNLSSA-N	305.418	3.361	10	20	DGCD	
COC[C@H](C)CNCc1ccc(N(C)C)cc1C(F)(F)F	792942701	MJNCKPNRIYFMAI-LLVKDONJSA-N	304.356	3.144	10	20	DGCD	
CN(C)[C@H]1CCCC[C@H]1NCc1cc(Cl)cc(F)c1O	1320640534	SJSVFOCVXOSFKO-KGLIPLIRSA-N	300.805	3.147	10	20	DGCD	
Cc1cccc(CNCc2cccc(Br)c2O)c1O	775154301	ZFWRJKNKCKMONS-UHFFFAOYSA-N	322.202	3.459	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)NC[C@H]3C=CCC3)cs2)cc1	1337007832	QWLRGAXAMBOIBV-ZDUSSCGKSA-N	313.426	3.012	10	20	DGCD	
C[C@@H](CC(=O)OC(C)(C)C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	1337801404	SCWZGNBWXBDJML-WDEREUQCSA-N	324.377	3.071	10	20	DGCD	
CCc1nc([C@H](C)N[C@@H]2C[C@@H](C)c3c(C)ccc(O)c32)n[nH]1	1254728941	AIJDFSPXADFSHV-GRYCIOLGSA-N	300.406	3.280	10	20	DGCD	
COCc1nnc(-c2cc(C)n(-c3ccc(OC)cc3)c2C)o1	1345963742	YKXZIWORZLMRRW-UHFFFAOYSA-N	313.357	3.299	10	20	DGCD	
CN(C)c1cc(F)c(CNC[C@]2(C)CCO[C@@H]2C2CC2)cc1F	1351328567	GBHAKFOLVFKIGP-MSOLQXFVSA-N	324.415	3.326	10	20	DGCD	
CCN(C)c1ccc(CN(C)[C@H](C(=O)O)c2ccccc2)cc1	1605410773	KKGJXAARXSJEJE-SFHVURJKSA-N	312.413	3.400	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C(=O)O)c1ccc(F)cc1	1605187122	OLZADCVCGFUURF-KRWDZBQOSA-N	316.376	3.116	10	20	DGCD	
Cc1ccc(N(CC2CC2)C(=O)C2=CCCNCC2)cc1F	1579709060	NAXBDFVNNXNFTM-UHFFFAOYSA-N	302.393	3.187	10	20	DGCD	
C[C@@H](NC1CCC2(CC1)OCCO2)c1ccc(N(C)C)cc1	161742831	OLLUOMAVNIXZJI-CQSZACIVSA-N	304.434	3.089	10	20	DGCD	
Oc1ccc(Br)cc1CN1CCCC(F)(F)C1	404960927	VGGQSKZTSCWIBZ-UHFFFAOYSA-N	306.150	3.386	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc(Br)cc2O)[C@@H](C)CO1	701194741	WJGYQVMVLJUBST-GXFFZTMASA-N	314.223	3.154	10	20	DGCD	
Cc1oc(C(=O)O)cc1COc1ccc([N+](=O)[O-])cc1Cl	51361002	GZRQWMPUNGJTCU-UHFFFAOYSA-N	311.677	3.427	10	20	DGCD	
CC[C@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	55530361	AGNQUATXRHXYGX-BFHYXJOUSA-N	322.424	3.102	10	20	DGCD	
C[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1	90802177	IETGWHRXZMDIKR-DOTOQJQBSA-N	310.445	3.077	10	20	DGCD	
C[C@H](O)C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O	93482715	SLONEWKVEHVKPV-CABZTGNLSA-N	304.217	3.434	10	20	DGCD	
C[C@H](Oc1ccccc1)C(=O)NCCCSc1nccs1	114374700	SNRVQLLURIBBJQ-LBPRGKRZSA-N	322.455	3.209	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc(C(C)C)s2)c1	127038710	ZQZYIMDUURDZNJ-JTQLQIEISA-N	320.414	3.472	10	20	DGCD	
C[C@H](c1cn(-c2ccccc2)nn1)N(C)Cc1ccccc1O	128445731	CDANLEYHGFHCKR-CQSZACIVSA-N	308.385	3.166	10	20	DGCD	
CN(Cc1cccc(Br)c1O)[C@H]1CCSC1	130576248	CUGRHJMDYNEXOB-JTQLQIEISA-N	302.237	3.092	10	20	DGCD	
O=C(NCCCSc1nccs1)c1cc2occc2[nH]1	132085817	ZBGFFYBOYIXDKN-UHFFFAOYSA-N	307.400	3.130	10	20	DGCD	
CC[C@@H](NC[C@H](O)Cc1ccccc1)c1ccc(N(C)C)cc1	132090831	GELOWOKUIHKCPX-WOJBJXKFSA-N	312.457	3.397	10	20	DGCD	
CC1CCN(C[C@@H]2CCCN(Cc3cc(F)ccc3O)C2)CC1	180001327	VXJMLLBJPZWCBY-INIZCTEOSA-N	320.452	3.475	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)CCc2ccccc2)c1	182894595	NAOABWBHZXUEAA-HOCLYGCPSA-N	315.413	3.045	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1cccs1)c1ccc(F)c(F)c1O	187730442	UVGPZCGVVMTWKU-RFAUZJTJSA-N	313.369	3.290	10	20	DGCD	
C[C@H](NC[C@@H]1CCC(C)(C)O1)c1ccc(N2CCOCC2)cc1	187868866	CPGIAKYEWBANMJ-YJBOKZPZSA-N	318.461	3.131	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@H]2CCO)cc1F	189979187	PANXXCKLAATLER-DOTOQJQBSA-N	308.441	3.313	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@]2(CO)CC(C)C)c1O	191660000	CGJVGYGDKPWOQB-GOSISDBHSA-N	323.408	3.107	10	20	DGCD	
CN(C)c1ccc(CNC(=O)c2cc3ccccc3cc2N)cc1	237121669	UWEVFNVWHDRPNB-UHFFFAOYSA-N	319.408	3.418	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1noc2c1CCCC2	264057902	IJBBWIKHVNUMKQ-UHFFFAOYSA-N	314.385	3.311	10	20	DGCD	
CCCN(Cc1ccccc1O)c1nn2cc(C)nc2s1	269340974	GWMFZPKMTKVOAJ-UHFFFAOYSA-N	302.403	3.221	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2O)CC[C@@H]1NC(=O)OC(C)(C)C	271440196	RRJKIRJDOURHAF-HIFRSBDPSA-N	320.433	3.127	10	20	DGCD	
Cc1ccc([C@@H](C)NCCCOC[C@H]2CCCO2)c(O)c1C	273411167	PRAAEHSBJFXYMW-HZPDHXFCSA-N	307.434	3.245	10	20	DGCD	
Cc1noc(C)c1C[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273605873	TZXRWYLBMPIWDL-UWVGGRQHSA-N	319.361	3.187	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)[C@]12CCCO2	274197504	KXONOWXSYRSDFS-WQANXHIZSA-N	318.461	3.130	10	20	DGCD	
CC(C)[C@H](C)CC(=O)NCc1cccc(Br)c1O	277558615	PCRLBIQHGJKROC-SNVBAGLBSA-N	314.223	3.453	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cncn3C)c2C)c1	291221743	MXBHPTFCDVGBKW-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN2CCC[C@H](O)C2)cc1	294556249	LQRJQNCMUXPYHS-KRWDZBQOSA-N	316.470	3.341	10	20	DGCD	
COC1CCN(c2ccc(CN3CCC=C(F)C3)cc2)CC1	296353439	RGRREPKALRTAAG-UHFFFAOYSA-N	304.409	3.361	10	20	DGCD	
CC(C)CCOCCNCc1ccc(Br)cc1O	691488069	KULHANXCPBPUSO-UHFFFAOYSA-N	316.239	3.307	10	20	DGCD	
Cc1ncccc1CNCc1cccc(Br)c1O	705569501	YKZDFQKHMADMAX-UHFFFAOYSA-N	307.191	3.148	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)ccc2O)c1	729277587	BRNYGVHXHISBPE-VIFPVBQESA-N	321.760	3.251	10	20	DGCD	
COC(=O)CCCN(C)Cc1ccc(N2CCCCC2)cc1	734844155	WPHLDUASNGDTET-UHFFFAOYSA-N	304.434	3.062	10	20	DGCD	
CN1C(=O)C2(CCCC2)N[C@H]1c1cc(-c2ccccc2)ccc1O	742438850	GGIOFEBBKFWHOG-GOSISDBHSA-N	322.408	3.432	10	20	DGCD	
CC(=O)C[C@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C	753863955	XDOAOSIFBCPTGX-ZDUSSCGKSA-N	312.413	3.500	10	20	DGCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)c2ccc(Cl)cc2)cc1	756333485	RGAUVTPSEXBKSZ-MRXNPFEDSA-N	318.804	3.322	10	20	DGCD	
C[C@H](NC[C@@]1(C)CCOC1)c1cc(Br)ccc1O	756576453	UNZIDDPFJJFTJZ-IINYFYTJSA-N	314.223	3.232	10	20	DGCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N(C)C2(CCCC2)C1=O	761579899	QLFFIAUYKXAYBB-CYBMUJFWSA-N	315.417	3.020	10	20	DGCD	
COc1cccc(OCCN[C@@H](C)c2ccc(N(C)C)cc2)c1	764760389	IRKMJCKTXDVMJM-HNNXBMFYSA-N	314.429	3.491	10	20	DGCD	
CCN(C)c1ccc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)cc1	767061364	ZSZMFRPCMDIZTO-UHFFFAOYSA-N	300.362	3.173	10	20	DGCD	
CCSc1ccccc1C(=O)N1CCS[C@H]2COCC[C@@H]21	769343925	MBVHIGSHVFPAED-ZFWWWQNUSA-N	323.483	3.145	10	20	DGCD	
CCOc1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)c(O)c1	769479951	KYQWKCWZLORUCR-UHFFFAOYSA-N	323.396	3.267	10	20	DGCD	
CCOC(=O)C[C@](C)(NCc1ccc(N(C)C)c(F)c1)C(C)C	775376177	XGCXFSUTRZVICP-SFHVURJKSA-N	324.440	3.349	10	20	DGCD	
OCCN(Cc1cc(Cl)cc(F)c1O)C1CCCCC1	775633258	GOJYYRGRYHYDBD-UHFFFAOYSA-N	301.789	3.312	10	20	DGCD	
Cc1ncsc1/C=C/C(=O)N1CCCOc2ccccc21	776893930	ZNUUOTMGFVAZRP-BQYQJAHWSA-N	300.383	3.280	10	20	DGCD	
CC/C(C)=C(\C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	779874636	RJLDWTLTRCEYRW-UTZKEFOASA-N	316.445	3.447	10	20	DGCD	
CCCCCCC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	784236386	FKRBOHOXTJCAEV-CSKARUKUSA-N	306.358	3.194	10	20	DGCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)NCC(C)C	801599221	FZTSOSVEWZWJQV-OAHLLOKOSA-N	306.450	3.155	10	20	DGCD	
CC(C)[C@@H](CO)CN[C@@H](C)c1ccc(Br)cc1O	806169799	RDXQIXHPSAMCQN-WDEREUQCSA-N	316.239	3.070	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1F	812017870	KTGILLJBGJUOKU-INIZCTEOSA-N	319.424	3.222	10	20	DGCD	
COc1cc(N2CCC(C3CC3)CC2)c([N+](=O)[O-])cc1OC	813618267	MZHKGTZURJFVBS-UHFFFAOYSA-N	306.362	3.238	10	20	DGCD	
CN(C)c1ccc(CN(C(=S)NC2CCC2)C2CC2)cc1	814194130	NTMRBSPZWMEVLW-UHFFFAOYSA-N	303.475	3.144	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]nc1C(C)(C)C	815629957	SPLJPYOAWRRYGD-UHFFFAOYSA-N	314.433	3.012	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CC[C@H](N2CCCCC2)C1	816503613	FMROMRPKADGELF-ZDUSSCGKSA-N	312.816	3.245	10	20	DGCD	
CN(Cc1cc(Cl)c(F)cc1O)CC1(N(C)C)CCC1	816586542	KTCKJHLTEXXYPL-UHFFFAOYSA-N	300.805	3.101	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](n3ccnc3)C2)cc1Cl	824690092	YTAZESVNPUPRRM-CQSZACIVSA-N	305.809	3.388	10	20	DGCD	
Oc1cc2c(cc1CNC1(Cc3ccc(F)cc3)CC1)OCO2	825016919	JIMYDDTVKLWFBU-UHFFFAOYSA-N	315.344	3.125	10	20	DGCD	
CCCc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)no1	826136778	HGEGQJKNMMMCCW-UHFFFAOYSA-N	314.385	3.142	10	20	DGCD	
CCSCc1cc(C(=O)N[C@H](C)c2ccccc2O)no1	827941664	VEJVYSUPZAXBMR-SNVBAGLBSA-N	306.387	3.124	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CC12CCSCC2)c1ccc(N(C)C)cc1	828862749	YGPZPVFSAMWYNW-CZUORRHYSA-N	318.486	3.463	10	20	DGCD	
C[C@H](NC[C@H]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1O	834910998	QXSOQHBJARFADG-RYUDHWBXSA-N	308.378	3.156	10	20	DGCD	
CO[C@](C)(C1CC1)[C@@H](C)NCc1c(O)ccc(Cl)c1F	840961121	QRFOYZVOVOKVOF-PSLIRLAXSA-N	301.789	3.478	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2ccc(Cl)s2)cc1	841044335	WDUWMBLBHLOXLT-CQSZACIVSA-N	309.866	3.257	10	20	DGCD	
C[C@@H](CCO)N(C)Cc1ccc(OCc2ccccc2)cc1O	846110735	KOFLYDLHSHEDIH-HNNXBMFYSA-N	315.413	3.174	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](CO)CC2CCCC2)c1O	846166846	DMPVKISMFKRAMG-UKRRQHHQSA-N	307.434	3.240	10	20	DGCD	
COc1cc(CNCc2cccnc2)c(O)c(C(C)(C)C)c1	850006517	VUCUKOPADOCKRO-UHFFFAOYSA-N	300.402	3.383	10	20	DGCD	
CCn1cc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2O)nn1	850522339	OUOMQJSIRVXWDP-QMMMGPOBSA-N	315.204	3.161	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@H]2c2ncc[nH]2)cc1F	862325992	IDHVTCZQOUKRCZ-AWEZNQCLSA-N	306.360	3.091	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)C[C@H]2CCCC(=O)N2)cc1	876945425	YLGQLVRUKWIVAO-DOTOQJQBSA-N	317.477	3.070	10	20	DGCD	
CC[C@H](NCc1cc(C)cc(OC)c1O)[C@H](O)c1ccccc1	895476121	FUCLOIPIKOYTCY-FUHWJXTLSA-N	315.413	3.311	10	20	DGCD	
C[C@@H](NCCO[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1	927086361	SOOVEEIXCSASSL-APWZRJJASA-N	318.461	3.133	10	20	DGCD	
COC(=O)/C=C(\C)CN(Cc1ccco1)Cc1ccccc1O	929969832	PEZBASKBRLBQJA-GXDHUFHOSA-N	315.369	3.107	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1	1261377028	GEXAFTDNHBNLQK-CVEARBPZSA-N	301.434	3.033	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC(C)(C)C2(C)C)cc1F	1319038609	SAQKPZHSFVHUDQ-UHFFFAOYSA-N	307.413	3.222	10	20	DGCD	
Cc1ccc(CN2CCCN(Cc3ccccc3O)CC2)cc1	1324779582	VPZYZEZQNUMRGK-UHFFFAOYSA-N	310.441	3.409	10	20	DGCD	
CO[C@@H]1CCC[C@H](C(=O)Nc2c(Cl)ccc3nonc23)C1	1331138118	GPYYETJAODNBFU-DTWKUNHWSA-N	309.753	3.020	10	20	DGCD	
COc1ccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(O)c1OC	1351999212	WWXQYVHDPNVYJG-UMVBOHGHSA-N	305.418	3.468	10	20	DGCD	
C[C@@H]1CCC[C@@H](CNC(=O)NCCc2ccc(N)cc2)[C@@H]1C	1576676733	DKTYKJHQEBHYGP-FMKPAKJESA-N	303.450	3.183	10	20	DGCD	
O=C(O)[C@H]1CN(Cc2cccc(Cl)c2O)Cc2ccccc21	1594951295	FUHHOAIZIUMEJI-AWEZNQCLSA-N	317.772	3.230	10	20	DGCD	
Nc1ccc(CCN[C@H]2CCC[C@H](CCCC(=O)O)C2)cc1	1601216368	YEYJHNMHWNHNDR-WBVHZDCISA-N	304.434	3.215	10	20	DGCD	
CC[C@]1(C(=O)O)CCCN(Cc2cc(Cl)c(C)cc2O)C1	1603609387	JJDMAIABLHLDLR-INIZCTEOSA-N	311.809	3.431	10	20	DGCD	
O=C(O)c1cncc(NCc2cc(Cl)cc(Cl)c2O)c1	1610865970	WZVVVATWVCSWGI-UHFFFAOYSA-N	313.140	3.404	10	20	DGCD	
CC(C)CC[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1776323374	YELFNULPJMXUTF-LLVKDONJSA-N	303.761	3.164	10	20	DGCD	
CCC[C@@](C)(NCc1ccc(N(CC)CC)c(F)c1)C(=O)O	1776750776	YRHXOUMIILOYDR-QGZVFWFLSA-N	310.413	3.405	10	20	DGCD	
CCN(CC)c1ccc(CNC2CC3(C2)C[C@@H]3C(=O)O)cc1F	1776861196	NLYGJDKFKHXDEU-TXKKKEFDSA-N	320.408	3.015	10	20	DGCD	
CCN1CCc2cc(CN[C@]3(C(=O)O)CCC[C@@H](C)C3)ccc21	1776877428	HBGQJENEPDZUOW-AUUYWEPGSA-N	316.445	3.192	10	20	DGCD	
CNC(=O)c1ccc(C)c(NCc2cc(Cl)ccc2O)c1	37086656	SBTRKASFUDHKKD-UHFFFAOYSA-N	304.777	3.326	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC(C)(C)C2)c1O	45698596	RGYHXLXTSIVVCM-JTQLQIEISA-N	311.809	3.248	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(OC)c1O	73748198	CQTMCFSEBVSMJE-JSGCOSHPSA-N	306.406	3.169	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H](C)C2CCCCC2)c1O	74505321	PGNRUXXEHAAREZ-LBPRGKRZSA-N	306.406	3.169	10	20	DGCD	
CC[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(N(C)C)cc1	127401614	WYXOKQBWMSBMQO-IIBYNOLFSA-N	310.507	3.341	10	20	DGCD	
COC(=O)c1cccc(CN(C)c2ccc(OC)c(OC)c2)c1	140253673	DWWGUEVDTRDYHX-UHFFFAOYSA-N	315.369	3.127	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1	171763798	VNDZOCZABZGSIU-UHFFFAOYSA-N	322.408	3.419	10	20	DGCD	
C[C@@H](c1ccncc1)N(C)Cc1ccc(N2CCOCC2)cc1	173479540	LRBGLUOBMIZUPY-INIZCTEOSA-N	311.429	3.111	10	20	DGCD	
CCOC[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1	177630950	XWTIBPYVDXJGRS-ZDUSSCGKSA-N	307.434	3.254	10	20	DGCD	
O=C(NC[C@H]1CCCN(Cc2ccccc2O)C1)c1ccccc1	179566926	MDIWJHYUMHKNBN-MRXNPFEDSA-N	324.424	3.034	10	20	DGCD	
CCCc1csc(NC(=O)N(C)Cc2ccccc2O)n1	180665867	FXFAJRVVBGHCLO-UHFFFAOYSA-N	305.403	3.465	10	20	DGCD	
CC[C@@](C)(O)CNCc1ccc(OCc2ccccc2)cc1O	183133947	ALJSYSXQBUMMNJ-LJQANCHMSA-N	315.413	3.222	10	20	DGCD	
C[C@@H](NC1CCN(Cc2ccccn2)CC1)c1ccccc1O	183427887	FGGOPNFHKAEDTG-OAHLLOKOSA-N	311.429	3.102	10	20	DGCD	
CC[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCO1	183525947	WMRRANQEUAMGKC-FUHWJXTLSA-N	316.445	3.108	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cc(OC)ccc1O	184718071	IZHVLBNIWYPWQV-DYVFJYSZSA-N	321.417	3.002	10	20	DGCD	
C[C@@H](NCc1nccs1)c1cc(Br)ccc1O	185087451	PVELOZIECHELDC-MRVPVSSYSA-N	313.220	3.462	10	20	DGCD	
COc1cccc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)c1	186835460	SXRWVMUWVQEGIY-HNNXBMFYSA-N	313.353	3.084	10	20	DGCD	
CCC[C@H](C)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	187724655	PLMQBFWXQGFUMF-AWEZNQCLSA-N	322.449	3.023	10	20	DGCD	
C[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(F)cc1O	192689072	IAXFMPLXHXSMSP-MNOVXSKESA-N	312.385	3.095	10	20	DGCD	
COCCO[C@H]1CCCN(Cc2c(O)ccc3ccccc23)C1	193417216	XOKBOKYKCROIOH-INIZCTEOSA-N	315.413	3.173	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N(C)c2ccc(F)cc2)cc1	194326272	RWYAXVWNVBBLKV-UHFFFAOYSA-N	301.365	3.238	10	20	DGCD	
Cc1cc(NCc2cc(F)ccc2O)ccc1C(=O)N(C)C	194910808	ZRNQXYBWDMVJDT-UHFFFAOYSA-N	302.349	3.154	10	20	DGCD	
Nc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1	238026406	TZXIBOOKUAIJQS-KRWDZBQOSA-N	312.369	3.079	10	20	DGCD	
C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1O	276972992	ULSZQIZZWAPDOX-QWRGUYRKSA-N	313.344	3.007	10	20	DGCD	
C[C@@H](NCC1CCN(C2CC2)CC1)c1ccc(F)c(F)c1O	278420781	INWNBUCAHVPLGD-LLVKDONJSA-N	310.388	3.195	10	20	DGCD	
COCc1noc(CN(CCC(C)C)c2ccc(OC)cc2)n1	280536461	PHYNKEGOULNJAM-UHFFFAOYSA-N	319.405	3.277	10	20	DGCD	
COc1ccc(N2CCC(NCCCC(C)(C)CO)CC2)cc1	305158986	QUJIJRDZUYFSSX-UHFFFAOYSA-N	320.477	3.052	10	20	DGCD	
C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(N(C)C)cc1	319655189	BDAPIAHXKKTHQI-LBPRGKRZSA-N	311.385	3.257	10	20	DGCD	
Cc1nc(C)c(C(=O)NCc2c(C)c3ccccc3n2C)nc1C	348637997	YJXJNTNLOCUGKM-UHFFFAOYSA-N	322.412	3.132	10	20	DGCD	
CCN(C(=O)/C=C/c1cncc(F)c1)c1ccc(OC)cc1	491519263	ICIYTSVXRFRXJE-RUDMXATFSA-N	300.333	3.296	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21	492527871	GJRKTYYQZFNJJK-WBTMPAOCSA-N	321.380	3.025	10	20	DGCD	
COCCC1CCN(Cc2cc(Cl)c(F)cc2O)CC1	529638301	PEEOBFYRSVGRFN-UHFFFAOYSA-N	301.789	3.433	10	20	DGCD	
CCN(Cc1cccs1)C(=O)/C=C\c1ccc(O)c(O)c1	588403294	JKJFTMFOMNSNPY-VURMDHGXSA-N	303.383	3.221	10	20	DGCD	
CC(C)(C)C[C@@H](CO)NCc1ccc(Br)cc1O	691395517	MUIXGWRYACLCQK-LBPRGKRZSA-N	316.239	3.041	10	20	DGCD	
C[C@@H](O)C[C@@H](C)NCc1ccc(OCc2ccccc2)cc1O	753571783	XNDNPWROZYQONY-HUUCEWRRSA-N	315.413	3.220	10	20	DGCD	
COc1ccccc1OCCN[C@H](C)c1ccc(C)cc1O	756374076	XSPRNAOUJSAUDB-CQSZACIVSA-N	301.386	3.439	10	20	DGCD	
COc1ccc(N(C)CC(=O)c2cc(C)n(C)c2C)cc1F	757851754	QFFLWMCDQDUDPP-UHFFFAOYSA-N	304.365	3.109	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1c(O)cccc1OC	768134752	UFXLHOZVYTUYQZ-UHFFFAOYSA-N	314.429	3.489	10	20	DGCD	
CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCS1	773613046	OUMHCXIILIBUOL-BBRMVZONSA-N	321.490	3.351	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCc2cocn2)c1O	779039194	AQZUJGYDBIVVJP-SECBINFHSA-N	311.179	3.302	10	20	DGCD	
CN(C)CCN(Cc1cc(Cl)cc(F)c1O)C1CCCC1	779170611	DDNANMXEZMXLLE-UHFFFAOYSA-N	314.832	3.491	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCC1Cc2ccccc2C1	779542232	NJWMRXBVMLXVFF-SOFGYWHQSA-N	323.392	3.032	10	20	DGCD	
CCOc1ccc(O)c(CN(CCOC)[C@@H]2CC[C@@H](C)C2)c1	792193714	YXNQRLQVCUCZRG-GDBMZVCRSA-N	307.434	3.428	10	20	DGCD	
COc1ccc(CNC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(O)c1	792777185	JTVWSBMDYUSACZ-LMOYCYGVSA-N	318.417	3.025	10	20	DGCD	
C[C@H](NC(=O)Cc1ccc2c[nH]nc2c1)c1ccc(N(C)C)cc1	793857315	UPFDNEZENOLUBB-ZDUSSCGKSA-N	322.412	3.049	10	20	DGCD	
COc1ccc(N(CCC(C)C)C[C@@H](O)COC(C)C)cc1	796503077	HADDNBUQZCOISG-QGZVFWFLSA-N	309.450	3.334	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc2ncn(C)c12	798167570	NITSOQROUIBOKI-UHFFFAOYSA-N	323.396	3.331	10	20	DGCD	
COc1ccc(N(Cc2ccccc2)Cc2cnn(C)n2)cc1	809955050	AMKKHQOSWWRDNL-UHFFFAOYSA-N	308.385	3.031	10	20	DGCD	
COc1cc(C)cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1O	811803400	LFKCFKGWHWYGLR-CQSZACIVSA-N	321.808	3.006	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@H]2CNC[C@@H]2C1)c1cc(Cl)ccc1O	817985296	BYIGQUJTXMWZDJ-GMZLATJGSA-N	308.853	3.474	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)c3cc(C)on3)C2)cc1	818342095	LMIXMTMVZRARMC-GJZGRUSLSA-N	315.417	3.169	10	20	DGCD	
CC[C@@H]1CCCC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	819165235	RAVNKIZFHNMDST-HIFRSBDPSA-N	316.401	3.125	10	20	DGCD	
O=C1C[C@H](NCc2c(O)cccc2Cl)CN1C1CCCCC1	824153219	DKLBPKFPGKHYRS-LBPRGKRZSA-N	322.836	3.069	10	20	DGCD	
Cc1cccc([C@H](O)CNCc2cc(Cl)c(C)cc2O)c1	825346760	GFIODMBSFYYPHD-QGZVFWFLSA-N	305.805	3.486	10	20	DGCD	
COc1cc(CN2C[C@@H](C)C[C@@H](CO)C2)c(O)c(C(C)(C)C)c1	826130831	MIHNJLWHRZOLOM-UONOGXRCSA-N	321.461	3.149	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)N)cc1	827340466	AWJPREMQPRFPGG-PKOBYXMFSA-N	317.477	3.057	10	20	DGCD	
COc1cc(F)cc(/C=C2\SC(N3CCCCC3)=NC2=O)c1	834409280	SYCLZYKGSXTKJZ-ZROIWOOFSA-N	320.389	3.291	10	20	DGCD	
CC1(C)C[C@H](CNCc2c(O)ccc(Cl)c2F)CCO1	835059583	JFVWOKNMIBICJX-SNVBAGLBSA-N	301.789	3.480	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC1CC1	840310540	LKAZKQHZZOTNAJ-CQSZACIVSA-N	303.450	3.091	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCC(C)(C)c2ccccc2)cc1	841044971	HCAZYGAUFCDAIL-LJQANCHMSA-N	311.473	3.320	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](CO)CC2CCCCC2)c1	841763577	ZYZZGEAORDVXSN-DZGCQCFKSA-N	307.434	3.383	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H]2[C@@H]2CCCOC2)c(O)c1	843417081	OWYDAMCQMQWXSM-WBVHZDCISA-N	305.418	3.182	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](C(C)(C)C(=O)O)C2)ccc1N(C)C	846284801	ORDCPDXQEUTEDP-MRXNPFEDSA-N	318.461	3.384	10	20	DGCD	
CCCCN(Cc1cc(C(C)=O)no1)Cc1ccccc1O	846894240	VDVFMYOBDCIYBP-UHFFFAOYSA-N	302.374	3.385	10	20	DGCD	
CN(CCCN1CCCC1=O)c1ccc(-c2nccs2)cc1	846991173	IUZDLLIATYMQBG-UHFFFAOYSA-N	315.442	3.259	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2C=CCC2)cc1	852513057	SPBJSVIFBFLTCN-INIZCTEOSA-N	301.434	3.393	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H]1CCCN(CC3CC3)C1)CC2	853240315	OWJMWKLOHPFNQG-DOTOQJQBSA-N	300.446	3.091	10	20	DGCD	
CCc1cc(CN(C)C[C@H]2COCCO2)c(O)c(C(C)(C)C)c1	853558966	LKYYVPQGSNHBBD-INIZCTEOSA-N	321.461	3.099	10	20	DGCD	
Cc1ccc(CN(C)Cc2c(O)cccc2Br)nc1	862339754	GMALLDWYDPXXNV-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
Cc1cc(CNC(=O)C[C@@H]2CCOC2)c(C)n1-c1ccccc1	863165765	NLKSQNLRDRCIHD-INIZCTEOSA-N	312.413	3.137	10	20	DGCD	
COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1F	864009163	UKTBGNFAYQGHDB-UHFFFAOYSA-N	302.349	3.290	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2cnc(C)s2)c1	866454863	HKQYJBIYJXJUQC-UWVGGRQHSA-N	320.414	3.356	10	20	DGCD	
CCOc1cccc(F)c1/C=C1/SC(=S)N(CC)C1=O	871598467	QDBXXLHPNGFZRT-XYOKQWHBSA-N	311.403	3.446	10	20	DGCD	
CO[C@](C)(CN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1	876531852	RCAYMRIUNFIJIX-PKOBYXMFSA-N	319.445	3.188	10	20	DGCD	
CCCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1	891254606	ZMVFIFDIEGIEJL-QGZVFWFLSA-N	317.477	3.052	10	20	DGCD	
COc1ccc(NCc2ccc(OC)c(OC)c2O)c(C)c1	892325674	PBOOAVYERAOURN-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
C[C@@H](NC[C@@](C)(O)c1cccc(F)c1)c1cc(F)ccc1O	903312279	YKLMHLYYWIXEKK-PIGZYNQJSA-N	307.340	3.229	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CN[C@H]2C[C@H](CO)C2)cc1	923005594	YQHGVOYCWJKSRP-WKILWMFISA-N	316.470	3.245	10	20	DGCD	
COC(=O)CCC(C)(C)NCc1ccc(N2CCCC2)cc1	1116616369	HLRXILHFUMMOMB-UHFFFAOYSA-N	304.434	3.108	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCC[C@@H]([C@@H]2CCNC2)C1	1118242850	LFADTAATQPBKKR-RTBURBONSA-N	313.489	3.108	10	20	DGCD	
Cc1ccccc1C(C)(C)CNC(=O)NCc1ccc(N)cc1	1120589336	BNXKYNOITBBZQL-UHFFFAOYSA-N	311.429	3.354	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1ccc([S@@](C)=O)cc1	1320199465	GYPJNKFQLCRGJY-JOCHJYFZSA-N	315.438	3.385	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@@H]1c1ccc(F)cc1	1521851083	GAAVVYHBURMZPP-HUUCEWRRSA-N	315.344	3.047	10	20	DGCD	
CC[C@H](C(=O)O)N1CCc2c(c3ccc(Cl)c(F)c3n2C)C1	1776681428	QMEWNCGSIQWAHK-GFCCVEGCSA-N	324.783	3.192	10	20	DGCD	
CN(C)CC(C)(C)CNCc1cc(Cl)cc(Cl)c1O	21510992	DGSXWFBLEPERQL-UHFFFAOYSA-N	305.249	3.376	10	20	DGCD	
Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1	41371827	GIFATVZKAOSEPS-UHFFFAOYSA-N	316.426	3.396	10	20	DGCD	
C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(N(C)C)cc1	46072185	NJKLTHIIPQKWEO-AWEZNQCLSA-N	315.417	3.166	10	20	DGCD	
COc1ccc(N(C)CCCOCC(F)(F)F)cc1OC	64517153	PALOKSBDRWIWFG-UHFFFAOYSA-N	307.312	3.109	10	20	DGCD	
Cc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1	76275552	FSZGXJLTDNPNGI-UHFFFAOYSA-N	310.441	3.246	10	20	DGCD	
Cc1cc(OCC(=O)N(C)Cc2ccccc2O)ccc1Cl	77258293	ZLTDILLJZXICBT-UHFFFAOYSA-N	319.788	3.391	10	20	DGCD	
CCN(Cc1cccc(OC)c1O)C[C@H](O)c1ccc(C)cc1	93641070	KWUKKOWAFIZGSG-KRWDZBQOSA-N	315.413	3.265	10	20	DGCD	
CCCOc1ccc(CN2CC[C@H](CN(CC)CC)C2)c(O)c1	93693576	NKHAPYJUUSPHGL-MRXNPFEDSA-N	320.477	3.345	10	20	DGCD	
COc1ccc([C@H](CO)N(C)Cc2c(O)cccc2Cl)cc1	126421755	WYLVGWGBEKYZQY-INIZCTEOSA-N	321.804	3.220	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)NC2CCN(C(=O)OC)CC2)cc1	152980245	WHKHQXBWMRLYPD-CQSZACIVSA-N	319.449	3.024	10	20	DGCD	
CC[C@H](NCC1(C(=O)N(C)C)CCCC1)c1ccccc1O	155819688	CBMBCFAMFYKTFQ-HNNXBMFYSA-N	304.434	3.082	10	20	DGCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(F)c1	172910596	ZVRLLPHKRGCTNY-GFCCVEGCSA-N	318.367	3.451	10	20	DGCD	
C[C@@H]1CCC[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1	173200466	VEPMNRUVGSJKHP-ZIAGYGMSSA-N	302.418	3.304	10	20	DGCD	
CCc1nc(CN2CCOc3cc(N(C)C)ccc32)cs1	175031262	VSVRQNCVAABKCY-UHFFFAOYSA-N	303.431	3.171	10	20	DGCD	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(N2CCCC2)cc1	178195515	YHZOMUHPYLYUHM-HOTGVXAUSA-N	316.445	3.455	10	20	DGCD	
COc1ccc2oc(/C=C3\SC(=S)N(C)C3=O)cc2c1	179142906	LOINEYSXJFVBDH-GHXNOFRVSA-N	305.380	3.272	10	20	DGCD	
C[C@H](NCCCC(=O)N1Cc2ccccc2C1)c1ccccc1O	183601231	CGJXPUAFHCVPPB-HNNXBMFYSA-N	324.424	3.365	10	20	DGCD	
C[C@@H](NCC(F)(F)CO)c1ccc(N2CCCCCC2)cc1	184708594	LXBBUFQPMIXMBP-CQSZACIVSA-N	312.404	3.345	10	20	DGCD	
Cc1cccc(CNC[C@](C)(O)c2cccc(Cl)c2)c1O	184961248	ZZGJNJAJRKYPBN-KRWDZBQOSA-N	305.805	3.351	10	20	DGCD	
C[C@@H](NCCC(=O)N1CCCCC1)c1cc(Cl)ccc1O	185061823	SLSKJQIGPAGGEL-GFCCVEGCSA-N	310.825	3.099	10	20	DGCD	
C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O	185442730	SYNYKVOKXCHIJW-WCQYABFASA-N	324.396	3.191	10	20	DGCD	
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccccc2O)C1	272659795	RFZCSXFBFXGTMC-KGLIPLIRSA-N	320.433	3.127	10	20	DGCD	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(F)ccc(O)c1O	294762134	BHIZUIDIHLIGQF-YPMHNXCESA-N	315.344	3.255	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H](c1ccco1)N1CCCC1)CC2	296199996	YWDVIJUBWJBULJ-JKSUJKDBSA-N	312.413	3.399	10	20	DGCD	
CCC[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	299524873	PUDLAIDMLLQWIY-MRXNPFEDSA-N	318.461	3.308	10	20	DGCD	
COc1ncc(Cl)c(NCCCSc2nccs2)n1	301754489	COMSCRPYQIADJO-UHFFFAOYSA-N	316.839	3.189	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCOC[C@@H]1c1ccco1	365266286	WCWODDBGXGDSEB-GFCCVEGCSA-N	311.740	3.351	10	20	DGCD	
COc1ccc2c(c1)CCCCN2Cc1cnc2cnccn12	378125319	DBAYQQABAJSAEM-UHFFFAOYSA-N	308.385	3.081	10	20	DGCD	
Cc1c(CNC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)n(C)c2ccccc12	472284907	MVMISWXUZUMKGB-GASCZTMLSA-N	311.429	3.284	10	20	DGCD	
CCN(C(=O)/C=C\c1cccnc1)c1ccc(OC)c(OC)c1	490854163	BWHGVFFFIZXDSS-YFHOEESVSA-N	312.369	3.165	10	20	DGCD	
Oc1cc(Br)ccc1CNC[C@H]1CCCS1	691465562	JCWVWKOTIBDQMA-LLVKDONJSA-N	302.237	3.140	10	20	DGCD	
COC[C@H]1CCCCN1Cc1c(O)cccc1Br	707130133	YUIOAMLORCMJFY-LLVKDONJSA-N	314.223	3.156	10	20	DGCD	
CCCN(CC(=O)O)C(=O)c1ccc(-n2c(C)ccc2C)cc1	737012323	IWEUBDRYNPSEBG-UHFFFAOYSA-N	314.385	3.031	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1Cc2ccccc21	740741802	SUZWIPVVIIWGAJ-LJQANCHMSA-N	306.409	3.243	10	20	DGCD	
COc1cccc(CNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1O	745876739	UTHIGBHMDPPZMI-VNHYZAJKSA-N	318.417	3.169	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)C1CC(F)(F)C1	753597890	SPUZIMOJTBNTGE-UHFFFAOYSA-N	308.372	3.338	10	20	DGCD	
C[C@H](CN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21)CN1CCCC1	756422846	MQEIWGAAAJPSOM-UMVBOHGHSA-N	306.425	3.401	10	20	DGCD	
C[C@H](NC[C@H](O)c1c(F)cccc1F)c1ccc(F)cc1O	756741918	YRMCJZUPSGTUNE-VFZGTOFNSA-N	311.303	3.194	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCSC2)cc1	761856032	REZZKDVJQNXOPR-HNNXBMFYSA-N	306.475	3.244	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(F)c(F)c1	769563182	YNBQMMKINSQUBK-UHFFFAOYSA-N	317.335	3.479	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H]1CCO[C@@H]1C	771036516	LFOPQRSTCQUUPV-OCCSQVGLSA-N	305.399	3.490	10	20	DGCD	
C[C@H](NC(=O)NCCc1ccccc1)c1ccc(N(C)C)cc1	773115493	ZGDOUHMMFMTXII-HNNXBMFYSA-N	311.429	3.356	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C)cnc2Cl)c1	787458865	LOZKIGVQSOOIHX-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
CC[C@H](CSc1ccccc1)NC(=O)c1cccc(O)c1O	790904247	STEFYGHARSYPDY-GFCCVEGCSA-N	317.410	3.399	10	20	DGCD	
CC[C@H](C)[C@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F	792977527	XZKRAIHRLKSZSQ-XHDPSFHLSA-N	318.383	3.268	10	20	DGCD	
COc1ccc2c(c1)CCCN2CC(=O)NCC1CCCCC1	796295053	BRCMGSDSADCWDF-UHFFFAOYSA-N	316.445	3.144	10	20	DGCD	
C[C@H]1C[C@H](NCc2ncnn2C(C)(C)C)c2c(O)ccc(F)c21	800500071	PPHKPLPTQWVXOE-JQWIXIFHSA-N	318.396	3.216	10	20	DGCD	
Cc1cc(C)nc(C(=O)NCc2ccc3c(c2)CCCN3C)c1	800870719	RIOIYQKVXBLJJO-UHFFFAOYSA-N	309.413	3.011	10	20	DGCD	
CS[C@H](C)CC(=O)NCc1cc(Cl)cc(Cl)c1O	807840632	GYHQASUAWYNVMH-SSDOTTSWSA-N	308.230	3.457	10	20	DGCD	
COc1cccc(O)c1CN1CCC[C@@H](C[C@H]2CCOC2)C1	809758538	PJIYNRGKYJAHJC-LSDHHAIUSA-N	305.418	3.039	10	20	DGCD	
CC[C@H](CNCc1ccc(OCc2ccccc2)cc1O)OC	811518357	LLXOFVRPRPWRPP-QGZVFWFLSA-N	315.413	3.486	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCCc2cnccc2C)c1	813330628	BHDOXRRRSGXACN-AWEZNQCLSA-N	300.402	3.388	10	20	DGCD	
CC(C)[C@H](NCc1cc(Cl)cc(F)c1O)C1(CO)CCC1	814171601	RLESWEFIKJQDCK-HNNXBMFYSA-N	315.816	3.462	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2ccc(F)c(NC(N)=O)c2)c1	815632158	FABOTYDNVQBVKV-VIFPVBQESA-N	319.336	3.204	10	20	DGCD	
CCOC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1O	816481909	MUYRFFQLOCIUJA-CYBMUJFWSA-N	315.772	3.102	10	20	DGCD	
Cc1ccc(C(=O)NC2CC2)cc1NCc1cc(F)ccc1O	817406500	UBWWEJLXHABBRS-UHFFFAOYSA-N	314.360	3.344	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cccc(C3CC3)c2)cc1	817864417	GTYPFISKDQYKKC-HXUWFJFHSA-N	309.457	3.420	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CNC2)c1cc(Cl)ccc1O	817969725	YSRQRUMFZJTMKC-NSHDSACASA-N	302.805	3.500	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1[C@H]2CCC[C@H]21	820006203	NMCCVTBFQBNNRR-VIKVFOODSA-N	318.380	3.381	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)/C=C/[C@@H]2CCOC2)cc1	822269711	SYTHDRKXAQEFNH-VGMNTSGFSA-N	316.445	3.084	10	20	DGCD	
CC(C)Oc1cccc(NC(=O)NCCc2ccc(N)cc2)c1	841257390	PINITFHQPYRYTI-UHFFFAOYSA-N	313.401	3.420	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCCC[C@@H]2C(=O)O)cc1	843306136	MHXHOIYMBSVNLE-DLBZAZTESA-N	304.434	3.266	10	20	DGCD	
Cc1cc(Br)cc(CN[C@H]2CCS[C@H]2C)c1O	843435198	RBFWGAAXZDVSPV-CABZTGNLSA-N	316.264	3.447	10	20	DGCD	
COc1cccc([C@@H](C)NCCC(=O)Nc2ccccc2)c1O	846142647	BKEIAZOJHZCRBJ-CYBMUJFWSA-N	314.385	3.080	10	20	DGCD	
C[C@@H](NC(=O)NC[C@H]1CCOC2(CCC2)C1)c1ccccc1O	868668710	PLPXNCNXFSVYHK-KGLIPLIRSA-N	318.417	3.102	10	20	DGCD	
Oc1ccc2c(c1)CC[C@H](NCc1cc(F)cc(F)c1O)C2	883104454	AEJNQUHRNOWRBP-AWEZNQCLSA-N	305.324	3.023	10	20	DGCD	
COc1cc(C)cc(CN(C)C2CCN(C(C)C)CC2)c1O	887562284	PYDJBKAUMYPEEJ-UHFFFAOYSA-N	306.450	3.014	10	20	DGCD	
COc1ccc(CNC[C@@H](C)CC(F)(F)F)c(O)c1OC	894909956	LEQPBFJNTLQYBF-VIFPVBQESA-N	307.312	3.088	10	20	DGCD	
CC(C)OC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	895829350	RQGJRQBKLRQAGC-UHFFFAOYSA-N	322.424	3.055	10	20	DGCD	
Oc1cccc(Br)c1CNc1nccnc1C1CC1	902166472	MMFLJYVZOGCDNV-UHFFFAOYSA-N	320.190	3.434	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)cc(C)nc2C)c1	907060878	PZLHKAKRQUNGDH-GFCCVEGCSA-N	314.385	3.212	10	20	DGCD	
COc1ccc(CNC[C@H]2C[C@H](NC(=O)C(C)(C)C)C2)cc1C	985060679	KUARAZHTZSKNIS-WKILWMFISA-N	318.461	3.034	10	20	DGCD	
C[C@H](CCC[C@@H](C)C(=O)O)NCc1cc(F)cc(F)c1O	1262162399	NLWVCJYBLGIZFS-NXEZZACHSA-N	301.333	3.040	10	20	DGCD	
Cc1cc(-c2nnc([C@@H]3CCO[C@@H]3C)o2)c(C)n1-c1ccccn1	1327071505	NHCWQFQHUQINAP-ZIAGYGMSSA-N	324.384	3.432	10	20	DGCD	
CCN(C)c1ccc(CN2CCc3ccccc3[C@@H]2C(=O)O)cc1	1603724155	NGXUVRIJCNVRMR-LJQANCHMSA-N	324.424	3.327	10	20	DGCD	
CCOC(=O)[C@@H](Sc1ncc(C(=O)O)s1)c1ccccc1	1605515078	CIAVOJBHCSVZQX-NSHDSACASA-N	323.395	3.238	10	20	DGCD	
CCCC[C@@H](C(=O)O)N1CCCc2ccc(N(C)C)cc2C1	1776767554	DLLIYZAZJUIRME-KRWDZBQOSA-N	304.434	3.144	10	20	DGCD	
C[C@H](N[C@H]1CCOC(C)(C)C1)c1ccc(N2CCOCC2)cc1	119240490	NUOSLGJDEUJCDL-RDJZCZTQSA-N	318.461	3.131	10	20	DGCD	
COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cccc(Cl)c1O)N2	102417651	BXKYXOYZBFXJMQ-HNNXBMFYSA-N	318.760	3.251	10	20	DGCD	
Cc1ccnc(NCc2ccc(N3CC=CC3)cc2)c1[N+](=O)[O-]	301325291	AKTAKRWSRHKETF-UHFFFAOYSA-N	310.357	3.287	10	20	DGCD	
C[C@H](NC[C@]1(O)CCc2ccccc21)c1ccc(F)cc1O	186165562	RWGBWUAYAHZEGV-KPZWWZAWSA-N	301.361	3.016	10	20	DGCD	
Cc1cccc(CN(C)Cc2ccc([S@](C)=O)cc2)c1O	180502618	IEXDBTACKILLRR-NRFANRHFSA-N	303.427	3.070	10	20	DGCD	
Cc1ccc(CN2CC[C@H](N[C@H](C)c3ccccc3O)C2=O)cc1	189092527	SLRHPKGNINZSNN-QAPCUYQASA-N	324.424	3.152	10	20	DGCD	
CC[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	132990183	MCKDXLWCCSJZPO-DOTOQJQBSA-N	303.450	3.473	10	20	DGCD	
Cc1ccccc1[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H](C)CO1	237532875	VFANOJLCGLOJAE-DNVCBOLYSA-N	324.424	3.108	10	20	DGCD	
COc1cccc(CN2C[C@H](c3ccsc3)O[C@H](C)C2)c1O	93769001	OPUDFSHLPALCOE-MLGOLLRUSA-N	319.426	3.424	10	20	DGCD	
CCC[C@H](CNC(=O)NCc1c(C)c2ccccc2n1C)OC	454877476	QUWXCFLWNYRGDQ-CQSZACIVSA-N	317.433	3.101	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)cc2O)[C@@]12CCCO2	274146216	DSXYHJBVZXATLG-RUGDWHBFSA-N	305.418	3.078	10	20	DGCD	
CCCOc1ccc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4OC)c(O)c1	289811659	SWJZXXKJFWFKNB-GAIWEEKLSA-N	317.429	3.036	10	20	DGCD	
CC[C@H](NC[C@@H](O)COCC(C)C)c1cccc(Cl)c1O	806133457	NOLQMTUPXGJXKK-DOMZBBRYSA-N	315.841	3.120	10	20	DGCD	
CCCCN(C)C[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	808733340	UVGCPXRGMUKAOK-STQMWFEESA-N	309.410	3.071	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CSC[C@@H]2C)cc1	804967332	OJFLDSKOCWHQIS-BBRMVZONSA-N	321.490	3.084	10	20	DGCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1	817939096	YVTNBBNCUWOFDW-ACJLOTCBSA-N	301.409	3.242	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@H](C)c3ccncc3)C2)cc1	818115751	CKOGOACPBLAUBU-HZPDHXFCSA-N	311.429	3.267	10	20	DGCD	
C[C@@H](NC[C@@H]1CCCNC1)c1ccc(Cl)c(Cl)c1O	817945652	IVJZLNXFFCYUBO-NXEZZACHSA-N	303.233	3.349	10	20	DGCD	
CCN(C)c1ccc(/C=C2/C(=O)N(C)c3ccc(C)cc32)cn1	811699954	BKYRLRXMUSSABK-LFIBNONCSA-N	307.397	3.363	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCC[C@@H]2CCCF)cc1	817939544	CKPXRDZNOFFDJY-KBAYOESNSA-N	307.457	3.260	10	20	DGCD	
Cc1nn(C(C)(C)C)cc1C(=O)N[C@H](C)c1ccccc1O	827940875	JRIMPPVDNQQEMP-LLVKDONJSA-N	301.390	3.143	10	20	DGCD	
C[C@]1(CCNCc2cc([N+](=O)[O-])ccc2O)CC1(Cl)Cl	824971036	NUOVUPIOWKBDAH-LBPRGKRZSA-N	319.188	3.364	10	20	DGCD	
CCCONC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	828232750	SMNSCVCLZITILN-UHFFFAOYSA-N	305.422	3.160	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1CCN(C2CC2)c2ccc(F)cc21	588512593	WYIUGLYCCDGEPD-BAQGIRSFSA-N	323.371	3.250	10	20	DGCD	
O=C(OCc1csc(-c2ccccn2)n1)c1cc(O)cs1	732353042	KQRHICOXBIPOKA-UHFFFAOYSA-N	318.379	3.329	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NCC[C@@H]2CCCC[C@@H]2C)c1	734067052	GGEJIVQOSKRNOJ-KBPBESRZSA-N	320.433	3.416	10	20	DGCD	
CCC[C@H](C)C[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	904003553	JKJYBSYOKQCOFK-TVQRCGJNSA-N	301.333	3.040	10	20	DGCD	
C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCC1	837490740	KPAAOELBQMCWOS-PBHICJAKSA-N	317.429	3.336	10	20	DGCD	
CC(C)(CC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1	837586605	DMPUJAKQPXAJJN-YWEYNIOJSA-N	318.369	3.050	10	20	DGCD	
CCN(C)c1ccc(CN2CCC(c3nc(C)no3)CC2)cc1	741754880	ZQUWKIGDTCFZLP-UHFFFAOYSA-N	314.433	3.214	10	20	DGCD	
CCc1ncsc1NC(=O)N[C@@H](C)c1cc(OC)ccc1O	747376284	UGMBQRCXRWWCFJ-VIFPVBQESA-N	321.402	3.302	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)C[C@H]1CCOC1	840893519	KHSBBZAMPSWITN-IXDOHACOSA-N	304.478	3.397	10	20	DGCD	
Cc1ccc(O)c(CNCc2cnc(C)n2-c2ccccc2)c1	742709620	KZYLLDQUZGCJDK-UHFFFAOYSA-N	307.397	3.485	10	20	DGCD	
CN(C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nccs2)cc1	846997743	YFVQFGSKEMXMNW-ZDUSSCGKSA-N	315.442	3.163	10	20	DGCD	
C[C@H](NCCCOC[C@H]1CCCO1)c1ccc(Cl)cc1O	841745349	YFOBSPMWRZPJGV-GXTWGEPZSA-N	313.825	3.282	10	20	DGCD	
C[C@H](NC(=O)NC1(C2CCC2)CC1)c1ccc(N(C)C)cc1	845125935	RUUBVYVOUGGHCA-ZDUSSCGKSA-N	301.434	3.446	10	20	DGCD	
CCOc1ccc(CN2CCC([C@@H]3CCCNC3)CC2)c(O)c1	849349566	DFAHMRDYJPOALD-MRXNPFEDSA-N	318.461	3.003	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c(F)c1	749363769	LIKLAUSLRRICCE-UHFFFAOYSA-N	312.388	3.447	10	20	DGCD	
CCN(CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(OC)cc1	744391651	DINQSBWTBPRPHK-HUUCEWRRSA-N	304.434	3.311	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H](c1ccccn1)C1CC1)c1ccccc1O	925570506	JSQPJCPACWXGCT-SJKOYZFVSA-N	311.385	3.299	10	20	DGCD	
CC1CCN(C[C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	850542952	DIEZKVGGCXKTMY-ZIAGYGMSSA-N	321.421	3.071	10	20	DGCD	
CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1C	756984106	CRLSMFBXLKCURB-YOEHRIQHSA-N	303.450	3.439	10	20	DGCD	
Cc1ccsc1CNCc1ccc(N2CCC(O)CC2)cc1	850405472	PEXDUPHRINRWSK-UHFFFAOYSA-N	316.470	3.307	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c1	756708075	MMTXIWYJQSJXSF-ZDUSSCGKSA-N	316.357	3.338	10	20	DGCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2cnn(C(C)C)c2)c1O	754803137	QGEIMHJAFSINKT-NSHDSACASA-N	319.380	3.362	10	20	DGCD	
CN(Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@@H]2O	768438006	NMBBABUKDJJQEV-INIZCTEOSA-N	319.788	3.103	10	20	DGCD	
COC/C(C)=C/C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863163934	UJKGSDMOJLVLNE-GXDHUFHOSA-N	312.413	3.303	10	20	DGCD	
CC[C@](O)(CC(=O)NCc1cc(C)ccc1O)c1ccccc1	862754573	GCOYNYKGTURBGI-IBGZPJMESA-N	313.397	3.005	10	20	DGCD	
CCN(C(=O)[C@H](C)N[C@H](C)c1ccccc1O)c1ccccc1	879647387	BOTGZJPNQAIDDV-CABCVRRESA-N	312.413	3.484	10	20	DGCD	
CCC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	773614558	ANISIEGCVJPZKU-YOEHRIQHSA-N	319.449	3.024	10	20	DGCD	
COC[C@H](NCc1ccc(C)cc1O)c1ccc(F)c(F)c1	877132888	QFOVTKZWAGFXBG-INIZCTEOSA-N	307.340	3.456	10	20	DGCD	
CN1c2ccccc2C(=O)N[C@H]1c1cc(Cl)c(F)cc1O	877842921	LULLXKGJZZXSNS-CQSZACIVSA-N	306.724	3.063	10	20	DGCD	
C[C@@H](C[C@@H](O)c1cccs1)NCc1cc(F)cc(F)c1O	883079620	YMXXLJDSTMAOSX-TVQRCGJNSA-N	313.369	3.334	10	20	DGCD	
Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cn1	770263803	ZNGWGQCSCOQYDJ-UHFFFAOYSA-N	308.385	3.088	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1O	785990240	ZXSUXVHEJCUVAE-MISXGVKJSA-N	313.825	3.036	10	20	DGCD	
CC(C)c1ccsc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783114514	WTXOITHGILDOEP-UHFFFAOYSA-N	320.366	3.322	10	20	DGCD	
C[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1ncnn1C	788971953	RZUJZIIQQLEXCQ-CYBMUJFWSA-N	308.385	3.039	10	20	DGCD	
Cc1cc(O)c(CN[C@@H]2Cc3ccccc3[C@H]2O)cc1Cl	898386094	TVWXIOWMJKHHJH-NVXWUHKLSA-N	303.789	3.102	10	20	DGCD	
CCC(CC)(CNCc1ccc(OC)c(OC)c1O)SC	893094829	QHCBQWLQBQBELF-UHFFFAOYSA-N	313.463	3.421	10	20	DGCD	
COc1ccc(CNC(=O)Cc2cccc3ccccc23)c(O)c1	794379662	UUAPGUGFEUYZEH-UHFFFAOYSA-N	321.376	3.413	10	20	DGCD	
CC[C@H](C)CC[C@H](O)CC(=O)N[C@H](C)c1cc(OC)ccc1O	793690338	VFFODAZFXTVHCQ-MJBXVCDLSA-N	323.433	3.155	10	20	DGCD	
C[C@@H]1CCC[C@H]1CNCc1ccc(N2CCOCC2)c(F)c1	798503543	MINONYPEJQAYMC-ZBFHGGJFSA-N	306.425	3.188	10	20	DGCD	
COc1ccc(CNC(=O)NCCCC2CCCC2)c(O)c1	792789371	YZXHTENDLQEPOC-UHFFFAOYSA-N	306.406	3.170	10	20	DGCD	
CC[C@H](NCc1csc(N(C)C)n1)c1ccc(C)cc1O	794804277	ULKSEOURPKHLFB-AWEZNQCLSA-N	305.447	3.464	10	20	DGCD	
CC(C)n1ncc2c1[C@@H](NC(=O)c1cc(O)cs1)CCC2	1329211742	YVVCUWAVFFBZAK-LBPRGKRZSA-N	305.403	3.039	10	20	DGCD	
O=[N+]([O-])c1cccc(NNC(=S)Nc2cccc(F)c2F)c1	1324368053	MJWYTTFVFHTMIL-UHFFFAOYSA-N	324.312	3.187	10	20	DGCD	
CC[C@@H](NCc1cc(C)[nH]n1)c1cc(Br)ccc1O	716451933	SBTNOHYECAKZBD-CYBMUJFWSA-N	324.222	3.427	10	20	DGCD	
C[C@H]1C[C@H]1c1nnc(N(C)Cc2ccccc2O)n1CC1CC1	1521095371	HICAICPGKCWTOK-SWLSCSKDSA-N	312.417	3.154	10	20	DGCD	
Cc1nc(CNCc2ccc(N)cc2)sc1Br	1579858598	HLNCUFCHDVKQCM-UHFFFAOYSA-N	312.236	3.086	10	20	DGCD	
C[C@H](NCCCN1CCCC[C@@H]1C)c1cc(C(=O)O)ccc1O	1593267694	RAPALNWJVLTPSJ-KBPBESRZSA-N	320.433	3.006	10	20	DGCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(F)cc1F	8117846	NJGIXZUBZKZRJB-JYRVWZFOSA-N	308.353	3.421	10	20	DGCD	
CCN1CCc2cc(CN[C@H]3CCCC[C@@]3(C)C(=O)O)ccc21	1776877437	HZUFDKICFZFHAI-PKOBYXMFSA-N	316.445	3.192	10	20	DGCD	
CCc1noc(CC)c1CNCc1ccc2c(c1)CCCO2	921830515	NSWFMRJBCWVJTP-UHFFFAOYSA-N	300.402	3.414	10	20	DGCD	
Cc1n[nH]c(C)c1CNCc1cc(Cl)cc(Cl)c1O	718292312	RVMIBQVIBIYPPA-UHFFFAOYSA-N	300.189	3.329	10	20	DGCD	
CCN(CC)c1ccc(CNCCCn2ccnc2C)cc1	69753975	VLJIFEWIALIWQR-UHFFFAOYSA-N	300.450	3.218	10	20	DGCD	
O=C(O)C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1	86757485	GLLVVHMJLFLBEW-SECBINFHSA-N	318.200	3.386	10	20	DGCD	
COc1cccc(CNc2nc3ccccc3cc2CO)c1O	91479260	KJCBLRIOJRDAFP-UHFFFAOYSA-N	310.353	3.053	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCc1cc(F)ccc1F	105285755	RNAJAERPTHEBFO-UHFFFAOYSA-N	306.312	3.012	10	20	DGCD	
CC[C@@H](NC(=O)N(C)Cc1ccccc1O)c1c(C)noc1C	123328260	AODPFODZVYBNMS-CQSZACIVSA-N	317.389	3.290	10	20	DGCD	
Nc1ccc(CC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1	157814634	UIMTWLDSIXORDN-OAHLLOKOSA-N	314.816	3.481	10	20	DGCD	
COCCN(Cc1cc2c(cc1O)CCCC2)CC(F)(F)F	159992752	UIPVNDQLYNRZLL-UHFFFAOYSA-N	317.351	3.282	10	20	DGCD	
CC1(C)[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)C[C@H]21	175639442	YLNVZGOISKDXKZ-IAGOWNOFSA-N	313.445	3.084	10	20	DGCD	
CCOc1ccc(O)c(CN2CCOC3(CCCCC3)C2)c1	179936289	JXSVAZRUPOKDOX-UHFFFAOYSA-N	305.418	3.326	10	20	DGCD	
CCCOc1ccc(CNc2nnc([C@H]3CCCO3)o2)c(O)c1	181798301	XFRGATQIAIJHKB-CQSZACIVSA-N	319.361	3.028	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CCO)c2ccco2)cc1F	184503276	IYERYSMBGSUVNG-MRXNPFEDSA-N	320.408	3.478	10	20	DGCD	
COCc1ccc(CN[C@H](C)c2cc(OC)ccc2O)cc1	184941942	JXNRIGZWBLJVDI-CYBMUJFWSA-N	301.386	3.398	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)Cc2ccc(O)cc2)c1	185351707	KWUXTIZIGNFHSQ-OLZOCXBDSA-N	301.386	3.388	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@H](C(C)C)N2CCCC2)c1	192952716	LBPHKOZSQDCEKT-RHSMWYFYSA-N	306.450	3.172	10	20	DGCD	
COc1ccc(CNC[C@H](C)NC(=O)OC(C)(C)C)cc1C	227679984	NKDOUCHIBMBQAB-ZDUSSCGKSA-N	308.422	3.006	10	20	DGCD	
Cc1cc(C(=O)NCC(C)(C)N)c(C)n1-c1ccc(Cl)cc1	237579701	SNMPYSPHILWCAZ-UHFFFAOYSA-N	319.836	3.215	10	20	DGCD	
CO[C@@H](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	266765269	DXLODPIZGNXJKX-HNNXBMFYSA-N	321.465	3.098	10	20	DGCD	
Cc1cc(Br)cc([C@H](C)NC[C@H](C)N(C)C)c1O	275387147	YJDYPGVQLWNVIF-QWRGUYRKSA-N	315.255	3.064	10	20	DGCD	
CC[C@](C)(OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	280539607	POKBOSZCSZRUSM-SFHVURJKSA-N	304.434	3.059	10	20	DGCD	
OC1CCN(c2ccc(CN[C@H]3CCC34CCC4)cc2F)CC1	282253215	QMCFPUKMYUKTHG-SFHVURJKSA-N	318.436	3.209	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCCC23CCOCC3)c1	282954482	ZITNCIJWLRFBKS-DYVFJYSZSA-N	305.418	3.401	10	20	DGCD	
Cc1nnsc1CNCc1cc(Cl)cc(Cl)c1O	291657759	DRPDPMLFGBPBOY-UHFFFAOYSA-N	304.202	3.149	10	20	DGCD	
O=[N+]([O-])c1ccsc1NCc1ccc(N2CCOCC2)cc1	301941098	VNGUJPGXDGFLBI-UHFFFAOYSA-N	319.386	3.105	10	20	DGCD	
CCNC(=O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1	302436800	QPUZBIUBRMTXRA-ZDUSSCGKSA-N	312.417	3.070	10	20	DGCD	
Cc1c(CNC(=O)CCc2ccccn2)n(C)c2ccccc12	348660507	LVXCXLRQMAFFFM-UHFFFAOYSA-N	307.397	3.131	10	20	DGCD	
CCc1nn(C)cc1NCc1c(O)cccc1Br	706809680	IODJQJYQIRGKOE-UHFFFAOYSA-N	310.195	3.063	10	20	DGCD	
O=C(NCC1(c2ccc(F)cc2F)CC1)c1cc(O)cs1	762359098	GUHKDRNFLVXKAD-UHFFFAOYSA-N	309.337	3.194	10	20	DGCD	
CCc1cccc(NC(=S)NCc2ccc(OC)cn2)c1	766512659	SPLVKFIBTHTQGV-UHFFFAOYSA-N	301.415	3.139	10	20	DGCD	
CCCCN(C)CC1CCN(Cc2c(O)cccc2OC)CC1	768304493	YOXUWMILMHYHQR-UHFFFAOYSA-N	320.477	3.345	10	20	DGCD	
C[C@@H](CCC1CC1)NCc1ccc(N2CCN(C)CC2)cc1	768950547	AAUGBAAMSVSQTM-INIZCTEOSA-N	301.478	3.107	10	20	DGCD	
Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1	770614087	CQQDUFFUKMEVPE-LSDHHAIUSA-N	315.417	3.231	10	20	DGCD	
CCCOC(=O)[C@H](C)N(Cc1ccc(N(C)C)cc1)C(C)C	771790435	CFVNAIBOSCOCLB-HNNXBMFYSA-N	306.450	3.305	10	20	DGCD	
CCCCC[C@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1	783904126	UXYIGGCSWDAFJH-LBPRGKRZSA-N	308.374	3.430	10	20	DGCD	
COCCN(Cc1cc(C)cc(OC)c1O)[C@H]1CC[C@H](C)C1	790479517	PHKOVLBQNBJJQH-BBRMVZONSA-N	307.434	3.346	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1CCN(C2CCCC2)CC1	792162058	ADLQCUNCEHRYSG-UHFFFAOYSA-N	312.816	3.245	10	20	DGCD	
COc1ccc(CNC(=O)c2cc(C(C)C)oc2C)c(O)c1	803292894	ZIZAEFUGQNZDDZ-UHFFFAOYSA-N	303.358	3.356	10	20	DGCD	
CC(=O)CCCC(=O)NCc1cc(Cl)cc(Cl)c1O	807835411	XGDIDFJWRFWXHK-UHFFFAOYSA-N	304.173	3.075	10	20	DGCD	
CCc1ocnc1C(=O)NCc1cc(Cl)cc(Cl)c1O	807839404	NCBZRHCWCCCIQD-UHFFFAOYSA-N	315.156	3.179	10	20	DGCD	
Cc1cc(CN2CCOC[C@H]2c2ccco2)ccc1N(C)C	815051701	SVJFPIXARUPLIA-KRWDZBQOSA-N	300.402	3.228	10	20	DGCD	
C[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccc(F)cc1O	815632322	JXMBLJMNMWZQGJ-QMMMGPOBSA-N	307.300	3.334	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2oc(C(C)C)nc2C)c1	815835617	ZFPUZVPMHSFWLM-SNVBAGLBSA-N	318.373	3.312	10	20	DGCD	
Cc1cc(CNCc2cc(Br)ccc2O)cc(C)n1	817411942	ZTFWSWHAZOOOAZ-UHFFFAOYSA-N	321.218	3.456	10	20	DGCD	
COC(=O)CCC[C@@H]1CCC[C@H](NCCc2ccc(N)cc2)C1	817957868	PZYCOVLFKFHBMK-WMZOPIPTSA-N	318.461	3.303	10	20	DGCD	
CC(C)c1ccc(C(=O)NCc2cc(Cl)ccc2O)c(O)n1	823986834	PBMOVMJNMOXRRB-UHFFFAOYSA-N	320.776	3.200	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H]2CCOC3(CCC3)C2)cc1F	824750252	FWQFBFJSUULGSI-OAHLLOKOSA-N	306.425	3.331	10	20	DGCD	
COc1cc(F)cc(C[C@@H](C)NCc2cc(OC)ccc2O)c1	825326262	KXEQZOZHFWIYCV-GFCCVEGCSA-N	319.376	3.269	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@]3(CCSC3)C2)c1O	832505163	AQGCEDYDEXCJRB-KRWDZBQOSA-N	323.433	3.453	10	20	DGCD	
CC[C@H](N[C@H](C(=O)N(C)CC)C(C)C)c1ccc(N(C)C)cc1	834880339	UVBZFOLLSHKSMW-ROUUACIJSA-N	319.493	3.296	10	20	DGCD	
CC(C)OC(=O)[C@@H](N[C@H](C)c1cc(F)cc(F)c1O)C(C)C	834886678	VOPWWNNIPVIWLY-YGRLFVJLSA-N	315.360	3.297	10	20	DGCD	
Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)c(C2CC2)n1	836238793	LBDJZYHMLORRBP-UHFFFAOYSA-N	309.413	3.263	10	20	DGCD	
CC[C@@H]1CC[C@@H](C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)O1	839921096	WREYJVXOEPYKIN-QGTPRVQTSA-N	318.461	3.066	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(C(C)C)C1	840482030	RKHFTUXSUIWKSM-OAHLLOKOSA-N	317.477	3.289	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](CCC(C)(C)C)C(=O)O)c1	840998528	IGQLVUKNXMZIPO-AWEZNQCLSA-N	309.406	3.160	10	20	DGCD	
CCCOc1cccc(NC(=O)NCCc2ccc(N)cc2)c1	841030158	TZEYCQSCIHEZGV-UHFFFAOYSA-N	313.401	3.422	10	20	DGCD	
C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(Cl)cc1O	841752961	DGTCMOCQPXHQEQ-IXBGWNDUSA-N	319.788	3.191	10	20	DGCD	
C[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(Cl)cc1O	841755556	JDQMVZJCEWUJBE-NHYWBVRUSA-N	323.795	3.439	10	20	DGCD	
C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@H]1CCC[C@@H](C)C1	841915618	SDFCDFGBZSCGFY-IJEWVQPXSA-N	303.450	3.325	10	20	DGCD	
C[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1cc(Cl)ccc1O	842885352	NWLQGBUAEZTDAE-GWCFXTLKSA-N	310.825	3.096	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCCC[C@H]1[C@@H]1CCCN1	843047970	FSQDJFUDZIFOBW-GJZGRUSLSA-N	312.816	3.291	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCC(=O)N1	844312063	CDVJBKZDACZTJG-QAPCUYQASA-N	324.424	3.234	10	20	DGCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@@H](C)C2)cc1	844856258	MLXVLGPHAPJDDN-HUUCEWRRSA-N	304.434	3.026	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](C)COCC(F)(F)F)c1O	846142428	TWARYYXRBYMPFK-NXEZZACHSA-N	307.312	3.019	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CCc4ccccc43)cc2)CC1	850567317	ZHWFAZKVTIOLRU-OAQYLSRUSA-N	322.452	3.425	10	20	DGCD	
COc1cccc([C@H](C)NC[C@@H](O)[C@H](C)c2ccccc2)c1O	850571762	AFCMEQVGFSMWCF-JKIFEVAISA-N	315.413	3.216	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)C2(Cc3ccc(F)cc3)CC2)c1	862757081	HAYIIBNVNQMSAH-UHFFFAOYSA-N	313.372	3.479	10	20	DGCD	
COc1ccc(O)c([C@H](C)Nc2nc(C(C)(C)OC)ns2)c1	865507849	JRSYBBBHEOTRJB-VIFPVBQESA-N	323.418	3.307	10	20	DGCD	
CCN(CC)c1ccc(CNc2cc(Cl)nnc2O)cc1F	872450678	YXJGZDWKCMGQDY-UHFFFAOYSA-N	324.787	3.433	10	20	DGCD	
Cc1ccccc1C1(C(=O)N(C)c2ccc(N)cc2)CCOCC1	877078218	IHWAWDNWVOLIQU-UHFFFAOYSA-N	324.424	3.288	10	20	DGCD	
COc1ccc(CCNCc2cc(F)cc(F)c2O)cc1OC	882877432	PHWBMBHVQXYZED-UHFFFAOYSA-N	323.339	3.020	10	20	DGCD	
Oc1c(F)cc(F)cc1CNc1ccc(O[C@@H]2CCOC2)cc1	883016451	ZMSKBHGPQCFLEP-OAHLLOKOSA-N	321.323	3.450	10	20	DGCD	
CC(C)[C@H](N[C@H](C)c1c(O)cccc1F)[C@H](O)C(F)(F)F	886644382	BNMYGASAEOIUKK-JCOFBHIZSA-N	309.303	3.130	10	20	DGCD	
CSCC(C)(C)NC(=O)NCc1ccc(N2CCCC2)cc1	892003423	APBLKOYTGVVBRS-UHFFFAOYSA-N	321.490	3.228	10	20	DGCD	
CC(C)c1ncc(CN(C)c2ccc(OCC(=O)O)cc2)s1	902016810	PXHOUBFMNYAFEX-UHFFFAOYSA-N	320.414	3.366	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCc3cccnc32)cc1	913927125	VNZYYZNVJHCARR-QGZVFWFLSA-N	324.428	3.024	10	20	DGCD	
CCCN(CC(=O)OCC)Cc1c(O)ccc2ccccc12	918755349	MXZQBFGJSAWGCB-UHFFFAOYSA-N	301.386	3.321	10	20	DGCD	
COc1ccc(CNCCNC(=O)C2(CC(C)C)CC2)cc1C	1129057278	IMJWXAJHHDQKMF-UHFFFAOYSA-N	318.461	3.036	10	20	DGCD	
COc1ccc(CN[C@H](C)C[C@H](C)NC(=O)C(C)(C)F)cc1C	1133477755	RHJGTOBPXINYIE-KGLIPLIRSA-N	324.440	3.125	10	20	DGCD	
CC1=CCC[C@H](C)[C@@H]1CNC[C@@H](N)c1ccc(N(C)C)cc1	1576556142	NZHUESLFRHZUJD-KFKAGJAMSA-N	301.478	3.334	10	20	DGCD	
C[C@H](NC[C@](C)(O)C1CCCCC1)c1cc(C(=O)O)ccc1O	1593240707	ROKYGDGTACLLSJ-SGTLLEGYSA-N	321.417	3.072	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2cccc(OCC(=O)O)c2)c1	1600464777	KERCWVUZZAHDLD-CYBMUJFWSA-N	315.369	3.015	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1ccc(O)cc1	66698773	YUYNYGSNBWRJLZ-UHFFFAOYSA-N	314.385	3.220	10	20	DGCD	
CSC(C)(C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C	75365401	PGYLWAHRKYZIMC-UHFFFAOYSA-N	317.458	3.361	10	20	DGCD	
CN(Cc1ccccc1O)c1ccc([N+](=O)[O-])c2cnccc12	89635613	NYCJCYBRGBVVKT-UHFFFAOYSA-N	309.325	3.485	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1C[C@H]2CCCC[C@H]2C1	93441969	GKKNWJWZXRGXBS-HDICACEKSA-N	300.446	3.145	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCC[C@H]2C)c1	103506186	HZJBEQANPNSTMK-XUJVJEKNSA-N	306.406	3.340	10	20	DGCD	
CC(C)[C@@H](CNCc1ccccc1O)NC(=O)OC(C)(C)C	115629680	NIXWSKYVPSZLNB-CQSZACIVSA-N	308.422	3.031	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)Cc1nncn1C	179642000	YKYDUVVGCGVGJR-OAHLLOKOSA-N	322.412	3.284	10	20	DGCD	
CCOC(=O)COc1ccc(NCc2cc(F)ccc2O)cc1	183916066	CCGHHVLRKSUNQH-UHFFFAOYSA-N	319.332	3.085	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC2(Cc3ccccc3)CC2)cc1	185557151	RJHSHRLQTPIKCH-UHFFFAOYSA-N	323.440	3.327	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1c(O)cccc1F	185711591	ZLDQKZZZYHEULA-UHFFFAOYSA-N	314.360	3.062	10	20	DGCD	
C[C@@H](NC1CCC(O)(c2cccnc2)CC1)c1ccccc1O	186335203	GAUJTYLKILQYHW-ICXUMSERSA-N	312.413	3.268	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H](N)c1ccccc1	236732286	HXDBBHKQTRNJGP-QGZVFWFLSA-N	312.413	3.221	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccc(CCN3CCCC3)cc2)cc1	237920684	WVDDDZBQFCBLIC-UHFFFAOYSA-N	323.440	3.088	10	20	DGCD	
CC[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N(C)C)cc1	246849829	BYFHATWNLSRRIA-ALKREAHSSA-N	301.478	3.419	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)[C@H](O)c1cccc(F)c1	267145615	AXCYPGGOHCDNSV-UGSOOPFHSA-N	302.393	3.103	10	20	DGCD	
CCC[C@@](C)(N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	272483885	RZBIORLNMYCTQL-LJQANCHMSA-N	317.477	3.057	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)Nc1cnc(C)nc1	282444081	IQNQJVFBMZJHNV-UHFFFAOYSA-N	314.389	3.325	10	20	DGCD	
CN(C)c1ccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)cc1	289914334	RVBDFNOSNDGBPX-VQTJNVASSA-N	310.441	3.008	10	20	DGCD	
CC[C@H](CO)NCc1ccc(N(C)Cc2cccs2)cc1	294791733	ONFONOMPDKFWRF-OAHLLOKOSA-N	304.459	3.245	10	20	DGCD	
CO[C@@H](C)CCNCc1ccc(OCc2ccccc2)cc1O	295068242	QVBYUEBSIANOET-HNNXBMFYSA-N	315.413	3.486	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)OC1CCCC1	295812369	BHQQUWZXFUZZLZ-UHFFFAOYSA-N	314.179	3.324	10	20	DGCD	
Cc1noc(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	298376617	OTEQZMRXRWJNCQ-UHFFFAOYSA-N	313.401	3.162	10	20	DGCD	
COc1ccc(O)c(CNc2nc(C(F)(F)F)cs2)c1	301747116	YTUOIQABOYOJIE-UHFFFAOYSA-N	304.293	3.488	10	20	DGCD	
C[C@@H]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1	315692373	WZMCUYNALXMHEC-GPMSIDNRSA-N	302.462	3.438	10	20	DGCD	
CCc1onc(C)c1C(=O)NCc1c(C)c2ccccc2n1C	348635039	LMTVDEBHQOCHOH-UHFFFAOYSA-N	311.385	3.276	10	20	DGCD	
Cc1c(CNC(=O)Cc2ccccc2O)n(C)c2ccccc12	352112695	VYPRSINMNAANJX-UHFFFAOYSA-N	308.381	3.051	10	20	DGCD	
Cc1c(CNC(=O)N[C@H](C)C(F)(F)F)n(C)c2ccccc12	355638215	MRILTXRQICYBEP-SNVBAGLBSA-N	313.323	3.237	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccc(Cl)s1	588403310	DSJGMDHSYPHYNS-KXFIGUGUSA-N	323.801	3.185	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2cnco2)c1	588405724	PKOOHLJFNZOCPW-ALCCZGGFSA-N	322.320	3.405	10	20	DGCD	
COc1cccc(O)c1CNCCc1c[nH]c2cc(F)ccc12	725850027	DNEWVKBOPHWGSH-UHFFFAOYSA-N	314.360	3.354	10	20	DGCD	
C[C@H]1CCCC[C@@H]1NC(=S)NCc1ccc(N(C)C)c(F)c1	746685494	QRBAJJVJCKIYEY-WFASDCNBSA-N	323.481	3.435	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCc3nc(C)ncc32)c1	756585977	OJQHYSQHIVQALT-ZBEGNZNMSA-N	313.401	3.227	10	20	DGCD	
C[C@H](NCCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1	766525696	APFPCOLSUPQZRA-NSHDSACASA-N	320.330	3.265	10	20	DGCD	
COc1ccc(CNC(=O)N(C)Cc2ccccc2O)c(C)c1	767135647	KVWNQUJCXZCZRY-UHFFFAOYSA-N	314.385	3.051	10	20	DGCD	
COc1cc(O)c(CN2CCC[C@H]2c2cc(C)no2)cc1OC	768438634	DAVAPBXOZOWYTN-ZDUSSCGKSA-N	318.373	3.043	10	20	DGCD	
CN(CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)CCCC2	768448700	WMYZZBRFWMKONE-UHFFFAOYSA-N	305.418	3.045	10	20	DGCD	
CN(C)c1ccc(CN2CCOc3ccccc3C2)cc1F	768939714	CKSZPXYODPNYOG-UHFFFAOYSA-N	300.377	3.286	10	20	DGCD	
Cc1ccc(N2C(=O)/C(=C/c3ccn(C)n3)SC2=S)cc1	773147089	ZPSNGFUEPQODRU-LCYFTJDESA-N	315.423	3.134	10	20	DGCD	
C[C@@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccc(N(C)C)cc1	773417691	LLOGBMMLQSERJN-UKRRQHHQSA-N	319.449	3.070	10	20	DGCD	
CCN(CC)c1ccc(CNCC2([C@@H](O)C(C)C)CC2)cc1	776494207	BMQWIXMHNBRNLG-SFHVURJKSA-N	304.478	3.420	10	20	DGCD	
CCOc1ccc(CNc2cccc(N3CCC3=O)c2)c(O)c1	790485431	HKHLCTSOZYVFHU-UHFFFAOYSA-N	312.369	3.140	10	20	DGCD	
O=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1ccoc1	795554243	NJMVYEXQNBKKGH-UHFFFAOYSA-N	324.358	3.343	10	20	DGCD	
CCSCCCNC(=O)NCCCSc1nccs1	800713082	XBHNXJJDEAAKDD-UHFFFAOYSA-N	319.521	3.068	10	20	DGCD	
CCCCN(Cc1nnc(C2CC2)o1)Cc1ccccc1O	801597878	QBZLWIFXAPVETN-UHFFFAOYSA-N	301.390	3.455	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1F	811518808	PDRVANVDLKJNCF-ZWKOTPCHSA-N	318.436	3.425	10	20	DGCD	
CC[C@@H](C)CONC(=O)NCc1ccc(N(CC)CC)cc1	813590999	HDYPHCJBEPKALE-CQSZACIVSA-N	307.438	3.310	10	20	DGCD	
CCOc1ncccc1CNCc1cc(Cl)c(F)cc1O	816561534	BDXNVCJIWRJBGP-UHFFFAOYSA-N	310.756	3.268	10	20	DGCD	
CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)C(C)C	840879825	TXAMKNFNFIROGL-OALUTQOASA-N	320.477	3.049	10	20	DGCD	
CCN(CC)C(=O)CCCN[C@H](C)c1ccc(Cl)cc1O	841743720	BXVMOUWPITUZFV-GFCCVEGCSA-N	312.841	3.345	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([C@H]2CCCNC2)C1	843126755	MNOKTBBZQMJAGH-PKOBYXMFSA-N	315.505	3.273	10	20	DGCD	
Nc1ccc(NC(=O)NCCC[C@@H]2CC2(Cl)Cl)cc1	846310576	MKAYZISUHWUIHQ-SECBINFHSA-N	302.205	3.364	10	20	DGCD	
COc1cc(CNCC(C)(C)N(C)C)c(O)c(C(C)(C)C)c1	850006658	ASOUPCWGAHAQKY-UHFFFAOYSA-N	308.466	3.128	10	20	DGCD	
COc1cc(CNC[C@H](C)CCCO)c(O)c(C(C)(C)C)c1	850313499	BPQSMGJSGNCMLB-CYBMUJFWSA-N	309.450	3.197	10	20	DGCD	
CC[C@H](C)NC(=O)[C@H](C)N(C)Cc1ccc(N(CC)CC)cc1	857757941	XQBPYXZWVCXMOD-HOTGVXAUSA-N	319.493	3.268	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)Nc2ccnn2CCC(C)C)c1	860976307	JVJXNLMSMNJFSC-UHFFFAOYSA-N	316.405	3.265	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCc2ccc(N(C)C)cc2)c1	862760415	SDRWYKMUTJUDRT-UHFFFAOYSA-N	312.413	3.016	10	20	DGCD	
COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1c(O)cccc1F	886522645	NVEOEPXKXWNCGB-SNVBAGLBSA-N	320.320	3.299	10	20	DGCD	
CC(C)N(Cc1cn(Cc2ccc(N(C)C)cc2)nn1)C(C)C	900534027	ACTRUPKVFOZKLR-UHFFFAOYSA-N	315.465	3.011	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](CC(F)(F)F)C(=O)O)cc1	901780300	OSCYQPPLQJVJSU-ZDUSSCGKSA-N	318.339	3.028	10	20	DGCD	
CCC[C@@](C)(N)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	904930248	HEZLJTMWRGAGDL-GOSISDBHSA-N	305.466	3.007	10	20	DGCD	
O=C1Nc2ccccc2/C1=C/c1ccc(N2CCC(O)CC2)cc1	905068721	IESXHSVWEGHUBX-AQTBWJFISA-N	320.392	3.140	10	20	DGCD	
Cc1cc(CN2CCC([C@@H]3CCCN3)CC2)ccc1N(C)C	923364797	OQVSYNQNZCPFHP-SFHVURJKSA-N	301.478	3.025	10	20	DGCD	
CC(C)n1cnnc1CN(C)Cc1ccc(N2CCCC2)cc1	1117681174	GBMPENJEDZWWPS-UHFFFAOYSA-N	313.449	3.091	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H]1OC	1120734541	MENFJPANSZQPIL-DOTOQJQBSA-N	305.418	3.336	10	20	DGCD	
Nc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1	1580445585	LKVZVZUJWUCZRW-UHFFFAOYSA-N	323.440	3.185	10	20	DGCD	
C[C@@H](CN[C@@H](C)c1cc(C(=O)O)ccc1O)Oc1ccccc1	1592704999	BZNJGBPRIOZUCO-STQMWFEESA-N	315.369	3.209	10	20	DGCD	
CC(C)c1nsc(CSc2ncc(C(=O)O)s2)n1	1604039380	AMFTZSLXKGINSL-UHFFFAOYSA-N	301.418	3.109	10	20	DGCD	
Cc1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c(O)c1	1605273552	MFRDGCXLHNTENP-DLBZAZTESA-N	311.381	3.001	10	20	DGCD	
O=C(O)/C=C\c1ccc(CNCc2cc(Cl)ccc2O)o1	1608660524	UJGAKKZXUSBKIT-XQRVVYSFSA-N	307.733	3.026	10	20	DGCD	
CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)c3ccccc32)cc1	15661953	SPYZOALNZHAFMO-AQTBWJFISA-N	320.392	3.343	10	20	DGCD	
CC[C@@H](N[C@H](CO)C(C)C)c1cc(Br)ccc1O	92393357	ABVIQBQGHNNLLJ-CHWSQXEVSA-N	316.239	3.212	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C)C2)c1	103512970	MACLEXOCICBACQ-RWMBFGLXSA-N	306.406	3.340	10	20	DGCD	
COc1ccc(O)c(CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1	114543167	BNCLCGOSMFDWKZ-GOEBONIOSA-N	303.402	3.255	10	20	DGCD	
Cc1cccc(CNC(=O)NCCCSc2nccs2)c1	152020003	RJPGWPLREKJJBQ-UHFFFAOYSA-N	321.471	3.433	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@]2(C)CCCS2)c1	153409425	MOHKOBCJPWIGSJ-BZNIZROVSA-N	324.446	3.047	10	20	DGCD	
Cc1ccc(NC(=O)NCCCSc2nccs2)c(C)n1	155571429	YOQCDTRZBMATOK-UHFFFAOYSA-N	322.459	3.459	10	20	DGCD	
COc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2	174517173	RMBBGKDEUJAVET-UHFFFAOYSA-N	311.381	3.210	10	20	DGCD	
C[C@@]1(c2ccccc2)CN(Cc2cc(F)ccc2O)CCO1	180141093	KZSXVLFVVMBIIR-SFHVURJKSA-N	301.361	3.279	10	20	DGCD	
C[C@@H](NC[C@@H](C)N(C)C1CC1)c1cc2c(cc1O)CCCC2	185369094	RLJCZZGMEDDYOI-ZIAGYGMSSA-N	302.462	3.404	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC[C@@H](O)C1	230670681	ZXSQYNSVLWIDLW-BXKDBHETSA-N	304.217	3.340	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1F	248326342	BWTNHWSAYQFOTI-HALDLXJZSA-N	304.409	3.334	10	20	DGCD	
COc1ccc(CNC[C@](C)(O)c2cc(C)oc2C)cc1C	266155273	LPTRQUXVTQYEID-SFHVURJKSA-N	303.402	3.211	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)NC3CC3)c2)c1	273574695	LNSOIZWPHKRLDC-CQSZACIVSA-N	324.424	3.444	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(-c2nc(C[S@](C)=O)no2)cc1	273832952	HJCLBOYVQCHGRA-QFIPXVFZSA-N	315.398	3.023	10	20	DGCD	
Cc1cnccc1OC1CCN(Cc2cccc(C)c2O)CC1	278656777	JYXIASGZUMYMJB-UHFFFAOYSA-N	312.413	3.447	10	20	DGCD	
CCOCc1cc(CNCCc2cccc(C)n2)ccc1OC	280516602	HIXDPNFKSKDSPT-UHFFFAOYSA-N	314.429	3.267	10	20	DGCD	
CC[C@@H](COCC(F)(F)F)NCc1cc(C)c(C)cc1O	295207033	ZLXXLTJRBDPCQZ-ZDUSSCGKSA-N	305.340	3.456	10	20	DGCD	
CC(F)(F)CCNC(=O)NCc1c(O)ccc2c1CCCC2	297144272	JXSPEPIDIOYBPQ-UHFFFAOYSA-N	312.360	3.116	10	20	DGCD	
Cc1noc(C)c1NC(=O)NCc1c(C)c2ccccc2n1C	348704872	JFJATQLHFZPISQ-UHFFFAOYSA-N	312.373	3.413	10	20	DGCD	
Cc1ncc2c(n1)CC[C@@H](N[C@H](C)c1cc(Cl)ccc1O)C2	363869340	UCAAULTVSJYMAG-QMTHXVAHSA-N	317.820	3.352	10	20	DGCD	
CN(C)c1ccc(CNCc2ccccc2-c2cnn(C)c2)cc1	372863529	OUEIIJXVFYKDGW-UHFFFAOYSA-N	320.440	3.443	10	20	DGCD	
Cc1cnc(CN2CCCc3cc(OC(F)F)ccc32)cn1	749440216	AKSVQPGVFMQEDL-UHFFFAOYSA-N	305.328	3.339	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cscn1	751299057	HDDDAMOQMGLWSR-UHFFFAOYSA-N	321.365	3.105	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C12CCC2	756615094	VSFPVORDWWUSAF-KNXALSJPSA-N	320.389	3.299	10	20	DGCD	
C[C@@H](NCC(=O)N(C)C1CCCCC1)c1cc(Cl)ccc1O	756638318	OFXVSBBLEDAXSF-GFCCVEGCSA-N	324.852	3.487	10	20	DGCD	
CC[C@@](C)(CC(=O)OC)NCc1cc(Cl)cc(F)c1O	757920898	STALFBAFYHVQFB-AWEZNQCLSA-N	303.761	3.006	10	20	DGCD	
Cc1cc(C(=O)N2CC(O)C2)c(C)n1-c1ccc(C(C)C)cc1	759079289	WVVXDRJSSDPWEI-UHFFFAOYSA-N	312.413	3.034	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OC[C@H]3CCCOC3)sc2n1	760738946	PSKICSVTDUBUMU-NSHDSACASA-N	320.414	3.079	10	20	DGCD	
CCOCCONC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	772699355	NIEXELJRQJHRSS-UHFFFAOYSA-N	316.401	3.100	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@@H](OCC3CC3)C2)c1O	777553538	FEIJWUSTADMWPI-MRXNPFEDSA-N	305.418	3.100	10	20	DGCD	
COc1cccc(O)c1CN1CC[C@@H](COc2ccccc2)C1	780788943	DWHROFUTAQMBTE-OAHLLOKOSA-N	313.397	3.302	10	20	DGCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]2CCCC[C@@H]12	782252159	VHVFVTJFGQMIHY-FHLIZLRMSA-N	315.461	3.473	10	20	DGCD	
Cc1cc(Br)cc(CNC[C@H]2CCC=CO2)c1O	783704877	JETLCAADTOVAHI-CYBMUJFWSA-N	312.207	3.245	10	20	DGCD	
COc1ccc2c(c1)CC[C@@H](NCc1ccc3c(c1)CCO3)C2	784626350	QVZYKNJZBFBETM-GOSISDBHSA-N	309.409	3.277	10	20	DGCD	
Fc1ccc(CCNCc2ccc3c(c2)CCO3)c(F)c1F	784631285	UHGZDUMYDLYQHT-UHFFFAOYSA-N	307.315	3.371	10	20	DGCD	
Cc1ccc(C(=O)NC[C@H]2CCC3(CCCCC3)O2)c(O)c1O	791188021	GIRKMLRVZDZXTA-CYBMUJFWSA-N	319.401	3.018	10	20	DGCD	
CN(C)c1ccc(CN2CCOC(C)(C)C2)c(C(F)(F)F)c1	792789306	XSPNVKJEONTYIH-UHFFFAOYSA-N	316.367	3.382	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CCCOC2)cc1	792880680	AWYIFOIFEWPTDY-QGZVFWFLSA-N	318.461	3.308	10	20	DGCD	
C[C@@H](O)C[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F	793075315	ZEBYKFZHAHMSLI-GHMZBOCLSA-N	304.356	3.020	10	20	DGCD	
CCn1nc(CNCc2ccc(OC)cc2O)c2ccccc21	793386447	QKGIJSXYHWHBNL-UHFFFAOYSA-N	311.385	3.060	10	20	DGCD	
C[C@H](NCCC1(C)OCCO1)c1cccc(C(F)(F)F)c1O	798182068	AHLCCLMWBMPLGD-JTQLQIEISA-N	319.323	3.215	10	20	DGCD	
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2ccccc2O)C1	802654631	LINYREBCODODSX-GOSISDBHSA-N	320.433	3.129	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@@H](CC)c1cccc(Cl)c1O	806156018	XXHHQSSSOVLZLB-ZDUSSCGKSA-N	312.841	3.249	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCSC1	806821420	MFIAJJSWEPJOGD-AWEZNQCLSA-N	321.490	3.003	10	20	DGCD	
CC(C)SCCNCc1cc(Cl)cc([N+](=O)[O-])c1O	808419665	NDWHXIGLQHCFJU-UHFFFAOYSA-N	304.799	3.185	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)c1ccccc1O	808724512	WKRRTXGSWFMMPM-LAVFITLUSA-N	316.445	3.080	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cncnc1-c1ccccc1	810156813	VQMNSYVNUMBPJY-UHFFFAOYSA-N	319.364	3.121	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CN1C[C@]2(CCCO2)[C@H]1C1CC1	816666785	WFIYFMSUBICASA-HZPDHXFCSA-N	311.784	3.328	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C)C[C@H](C(=O)O)C2)cc1	817881739	NWQJVHQESOYSDF-HOCLYGCPSA-N	304.434	3.075	10	20	DGCD	
CCCCCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	818048866	SGGMPVVNZTUIRX-OAHLLOKOSA-N	319.449	3.011	10	20	DGCD	
COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2cc(F)ccc2O)s1	818355513	HAPRGKHNKXLEII-DTWKUNHWSA-N	324.377	3.186	10	20	DGCD	
CN(Cc1c(F)cccc1F)C(=O)/C=C\c1ccc(O)c(O)c1	818552129	TVGNMESCTNFWFH-VURMDHGXSA-N	319.307	3.048	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2Cc3cccc(O)c3C2)cc1Cl	825697919	KWYIEGFCEFSSLE-ZDUSSCGKSA-N	303.789	3.317	10	20	DGCD	
COc1cc(O)c(CNCCC2(CSC)CC2)cc1OC	826937568	OXOXHSYWUSFKRA-UHFFFAOYSA-N	311.447	3.032	10	20	DGCD	
O=[N+]([O-])c1cc(CN2CC[C@@H]3C[C@@H]3C2)ccc1N1CCCCC1	827507012	RBJFPPPUDLILIG-HZPDHXFCSA-N	315.417	3.427	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@]1(C)CO	827699457	HQHNBKZJAYBOKB-LKFCYVNXSA-N	304.217	3.149	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1O	834915071	PNDUHFGESSQNRU-YNEHKIRRSA-N	303.324	3.365	10	20	DGCD	
CCOc1ccc(CNCc2ccc3c(c2)CCCN3)c(O)c1	841070894	VUFKJXSDBDQTIH-UHFFFAOYSA-N	312.413	3.439	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCNC2(C)C)c(C(F)(F)F)c1	841085424	BXKDKZNWXLVABX-CQSZACIVSA-N	315.383	3.002	10	20	DGCD	
COc1cccc([C@@H](C)NCc2ccc(N(C)C)cc2)c1O	846136937	MDVOBKWWLHWYLA-CYBMUJFWSA-N	300.402	3.318	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@H](c2ccsc2)N(C)C)c1O	846138215	ZLRBYJOXGCXMBS-IUODEOHRSA-N	320.458	3.416	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCc3ccccc3NC2=O)c(O)c1	848559200	QLOVLAPNQUDHAC-GUYCJALGSA-N	310.397	3.305	10	20	DGCD	
COc1ccc(N2CCC(NCC3SCCS3)CC2)cc1	850402408	ZMNAWUNLWUPEAP-UHFFFAOYSA-N	324.515	3.060	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2ccc([N+](=O)[O-])cc2)cc1F	858100375	FPGATYQQTOTQKF-UHFFFAOYSA-N	321.327	3.229	10	20	DGCD	
CCc1cnccc1[C@@H](C)NC(=O)NCc1cc(C)ccc1O	858344486	OXKDDIRKTSWBPZ-CYBMUJFWSA-N	313.401	3.218	10	20	DGCD	
CO[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@@H]1C	862386625	WGROTKIENJMQOO-IINYFYTJSA-N	314.223	3.012	10	20	DGCD	
OC1CCN(c2ccc(CN3CCC[C@H]3C3CCC3)cc2)CC1	876659625	CHDQSPZLGUSUBY-FQEVSTJZSA-N	314.473	3.412	10	20	DGCD	
Cc1ccc(CN[C@H](C)[C@@H]2CCCN(C3CCC3)C2)c(O)c1	877190148	XIOSAQSYPRZERD-NVXWUHKLSA-N	302.462	3.443	10	20	DGCD	
C[C@@H](NCc1nnc(C(F)(F)F)s1)c1ccccc1O	879649186	LGPGVJIGFADXSJ-SSDOTTSWSA-N	303.309	3.113	10	20	DGCD	
C[C@H](NCc1ccc(C[S@](C)=O)cc1)c1c(O)cccc1F	886609234	OYCGJHMCVTWPOW-YTEVENLXSA-N	321.417	3.261	10	20	DGCD	
CN(C)c1ccc(CN(CC(=O)Nc2ccccc2)C2CC2)cc1	917074326	XXFRAMLNWBBOGL-UHFFFAOYSA-N	323.440	3.356	10	20	DGCD	
COC1([C@@H](C)NCc2cc(Cl)c(C)cc2O)CCOCC1	1261677105	GBVLXSVLJMVUBJ-GFCCVEGCSA-N	313.825	3.028	10	20	DGCD	
O=C(CCc1nc2ccccc2s1)NCc1ccccc1O	1322188490	XNNFAWLMQKDSGP-UHFFFAOYSA-N	312.394	3.251	10	20	DGCD	
CCCC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	1322271612	DSQVUEQEOXVYKN-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCOC[C@@H]1CCCO1	1342390782	SCLOMFOMKGKWNA-QLFBSQMISA-N	305.418	3.034	10	20	DGCD	
CCN(CCN)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C	1577721077	SBFPJEZTBATQTC-UHFFFAOYSA-N	319.836	3.168	10	20	DGCD	
CC[C@@](CNCc1ccc(C)cc1O)(C(=O)O)c1ccccc1	1595167993	JIHWXPUSEGNIDH-IBGZPJMESA-N	313.397	3.223	10	20	DGCD	
CCCCCC(=O)N(CC(=O)O)Cc1cc(Cl)ccc1O	1595665519	OLZAPRPXXZDASV-UHFFFAOYSA-N	313.781	3.039	10	20	DGCD	
Cc1cc(C)cc(NC(=S)NNc2cccc(C(=O)O)c2)c1	1600175735	QSJFLUCOFLNAPJ-UHFFFAOYSA-N	315.398	3.315	10	20	DGCD	
Cc1cc(O)c(CN[C@@H](C(=O)O)c2cc(F)ccc2F)cc1C	1610475918	PIXGOGCOIMYTHC-MRXNPFEDSA-N	321.323	3.203	10	20	DGCD	
COCCN(CCOC)Cc1cc(C)cc(C(C)(C)C)c1O	177133208	RNTBFOAXNZJSJE-UHFFFAOYSA-N	309.450	3.093	10	20	DGCD	
Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c1	109773565	JYILSXDNHVHAHX-HNNXBMFYSA-N	312.413	3.468	10	20	DGCD	
CC[C@@H](NC[C@H](O)c1ccc(OC)cc1)c1ccccc1O	121091469	GVVDJHLHXZTNDB-AEFFLSMTSA-N	301.386	3.175	10	20	DGCD	
C[C@H](NCc1cccc(Cn2cccn2)c1)c1ccccc1O	183435499	MIABNFOESBAMJB-HNNXBMFYSA-N	307.397	3.488	10	20	DGCD	
COc1cc(O)c(CN[C@H](C)c2cc(C)oc2C)cc1OC	181298376	HYHCVAAFXJTRBL-LLVKDONJSA-N	305.374	3.470	10	20	DGCD	
COc1ccc(O)c(CN2C[C@H](c3ccsc3)O[C@H](C)C2)c1	180546000	CUKNEOWBLWULIO-SJKOYZFVSA-N	319.426	3.424	10	20	DGCD	
COC(=O)N1CCC([C@@H](C)N[C@H](C)c2ccc(C)cc2O)CC1	186752233	QLZDIYUIRKVCDL-ZIAGYGMSSA-N	320.433	3.218	10	20	DGCD	
C[C@@H](Sc1nccs1)C(=O)N1CCc2ccccc2C1	133216433	TWAORVNSKUBSSJ-LLVKDONJSA-N	304.440	3.209	10	20	DGCD	
C[C@H](NC1CCN(C)CC1)c1cc(Cl)c(Cl)cc1O	192617626	VMNIVDUKJBYNEO-VIFPVBQESA-N	303.233	3.444	10	20	DGCD	
COc1ccc([C@H](O)CN[C@@H](C)c2ccc(F)c(F)c2O)cc1	191194173	AHRQGJOESOYABK-ZUZCIYMTSA-N	323.339	3.063	10	20	DGCD	
COc1cccc(CNC(=O)Nc2c(C)cccc2OC)c1O	195030954	IUJCWRADZUJMTR-UHFFFAOYSA-N	316.357	3.040	10	20	DGCD	
CC[C@@H]1CN(Cc2cccc(Br)c2O)CCS1	93502251	YRWPDMZLNQJYFD-LLVKDONJSA-N	316.264	3.482	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1	248651150	UVPMVIQJSLLUAB-YRGRVCCFSA-N	306.406	3.025	10	20	DGCD	
COC[C@H]1CN(Cc2cc(C(C)C)c(C)cc2O)C[C@H](C)O1	253295042	MQJZEDXUZGUWAE-GOEBONIOSA-N	307.434	3.060	10	20	DGCD	
C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O	276863100	CUSZUTFHNAUYTG-IAQYHMDHSA-N	307.340	3.445	10	20	DGCD	
C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O	279255630	IRDIDQALHSYHTN-ZFWWWQNUSA-N	311.381	3.191	10	20	DGCD	
CCOc1cccc(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1O	270676035	RNSJCRSJBMWSEW-GDBMZVCRSA-N	307.434	3.474	10	20	DGCD	
CCC(CC)(CCO)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	273586239	NXUGWBHMOQKFGG-ZDUSSCGKSA-N	323.433	3.018	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](CC)COCC(F)(F)F)c1	295200582	YQLLOLOFKUAIKY-LBPRGKRZSA-N	321.339	3.238	10	20	DGCD	
CCCN(CC)C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	810263754	SDVBBDYUYGXFQD-QWHCGFSZSA-N	309.410	3.071	10	20	DGCD	
CC[C@@H](N[C@H]1CCCNC1)c1ccc(Cl)c(Cl)c1O	817940845	LGBILDZLUCIXJL-JOYOIKCWSA-N	303.233	3.492	10	20	DGCD	
Cc1cc(C)c([C@@H](C)NC[C@@]2(O)CCc3ccccc32)c(O)c1	815598641	ZDEYYNTZNNDXAT-QRWLVFNGSA-N	311.425	3.494	10	20	DGCD	
CN1CCCc2cc(CNCc3n[nH]c4ccccc34)ccc21	727469925	PUELZXIPXIKWSL-UHFFFAOYSA-N	306.413	3.235	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCC[C@H](C(=O)N(C)C)C2)cc1Cl	825291291	IQVQMOZQRVWABZ-JSGCOSHPSA-N	324.852	3.091	10	20	DGCD	
COCCN(Cc1cccnc1)Cc1cc(Cl)c(C)cc1O	825916641	RBZUUJSPYADCQB-UHFFFAOYSA-N	320.820	3.398	10	20	DGCD	
COc1cccc(CCN[C@H]2CCc3cccc(O)c32)c1OC	834517917	AKSXCQNTJBZTSC-HNNXBMFYSA-N	313.397	3.229	10	20	DGCD	
Cc1ccc2oc(C(=O)NCc3ccc(N(C)C)cc3C)cc2n1	734404487	GZYAQNHLPLIYSE-UHFFFAOYSA-N	323.396	3.441	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC=CCC1	839914131	QUTISUHVBWZUNB-HOTGVXAUSA-N	300.446	3.465	10	20	DGCD	
C[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc2ccccc2c1O	834913675	IRIMGHWCWWWQDH-JCKWVBRZSA-N	324.424	3.349	10	20	DGCD	
Cc1ccccc1[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1	841301062	YPDKNQKDVYKQGY-QGZVFWFLSA-N	311.385	3.183	10	20	DGCD	
COc1ccc(N(CC(=O)N2CCCC[C@@H]2C)C(C)C)cc1F	746667062	UWIYGAMZRSNEPX-AWEZNQCLSA-N	322.424	3.450	10	20	DGCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCN1C1CCCC1	846475234	DRKGAQJLPPAOQJ-OAHLLOKOSA-N	322.836	3.069	10	20	DGCD	
CC[C@H]1C[C@H](CC(=O)NCc2cc(Cl)ccc2O)CCO1	846473058	IBBCKTJQPNIDFW-RISCZKNCSA-N	311.809	3.257	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@@H]2CCC[C@H]2N)cc1	846672682	JOLZAVZKKICPLW-FUHWJXTLSA-N	317.477	3.009	10	20	DGCD	
C[C@H](NCc1cccc2c1OCC2)c1cc([N+](=O)[O-])ccc1O	927091729	RSEPEBACYQUEGV-NSHDSACASA-N	314.341	3.086	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cnc1F	857709363	XWBMZGUTXWFOGW-UHFFFAOYSA-N	313.376	3.059	10	20	DGCD	
O=C(O)c1ccccc1CCNCc1c(O)ccc(Cl)c1F	756311935	XRZCMASHOPBZKP-UHFFFAOYSA-N	323.751	3.215	10	20	DGCD	
CCOc1ccc(O)c(CN(CCCN)c2cccc(F)c2)c1	753589513	IJBFTICKXQVZPA-UHFFFAOYSA-N	318.392	3.285	10	20	DGCD	
CCCc1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)cs1	759593458	OPBOMRGZTVPSNY-FNORWQNLSA-N	319.382	3.263	10	20	DGCD	
CCC[C@H](O)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	750097314	USWYQCLPYIBUPQ-SFHVURJKSA-N	318.461	3.186	10	20	DGCD	
Cn1nc(CCNCc2ccc3c(c2)CCCO3)c2ccccc21	922012840	YHKTVSUEUFAEID-UHFFFAOYSA-N	321.424	3.231	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2[C@@H]2CCCOC2)cc1F	862398367	GQRWNAQOXNMCMS-CXAGYDPISA-N	324.415	3.422	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)COC[C@H](C)c2ccccc2)c1	862754724	IKDAHWXVRCQHLG-HNNXBMFYSA-N	313.397	3.137	10	20	DGCD	
CO/C(=C/c1ccccc1)C(=O)NCc1ccc(N(C)C)cc1	763955060	UMVYJZOBJCXLHE-QGOAFFKASA-N	310.397	3.056	10	20	DGCD	
C[C@@H](NC(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccccc1O	868012526	PHTHMKRUPHEDMP-GFCCVEGCSA-N	319.449	3.062	10	20	DGCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2CC=CC[C@H]2C1	868299023	YIZIYNHUYOVJBL-HDICACEKSA-N	323.440	3.170	10	20	DGCD	
Cc1ccc(CNCCc2nc3c(s2)CCCC3)c(O)c1	877032290	JGFMHNQRISFFIU-UHFFFAOYSA-N	302.443	3.368	10	20	DGCD	
CC1(C)N[C@H](c2cccc(Cl)c2O)N(c2ccccc2)C1=O	877857262	NIVNKMXLADCPFM-HNNXBMFYSA-N	316.788	3.459	10	20	DGCD	
CC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1	776744117	DXJJVVCDXNLFHI-UHFFFAOYSA-N	305.399	3.491	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCc2c(C)cccc2F)c1O	775031209	ZMOHIPIHWXXPON-UHFFFAOYSA-N	320.320	3.046	10	20	DGCD	
CN1CCN(c2ccc(CN3CCC[C@@H]3C(C)(C)C)cc2)CC1	775678994	KVZAZOADAFUTBL-LJQANCHMSA-N	315.505	3.449	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CCCCC1	774484977	UGSJXXFSQJTSKU-GJZGRUSLSA-N	317.477	3.241	10	20	DGCD	
C[C@H](N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1c(O)cccc1F	886620131	CJMSTNKOUMCJHN-DXCKQFNASA-N	316.376	3.497	10	20	DGCD	
Cc1c(NCc2ccc(N(C)C)cc2)cccc1N1CCNC1=O	785554772	FZMYJSGHIXUODT-UHFFFAOYSA-N	324.428	3.203	10	20	DGCD	
Oc1cc2c(cc1CN1CCc3ncsc3C1)CCCC2	783545647	OMMSCOMIVMBJCE-UHFFFAOYSA-N	300.427	3.286	10	20	DGCD	
COc1cc(C)cc(CN[C@@H]2Cc3ccccc3[C@@H]2OC)c1O	894990736	JFXZVAULAFLVLF-APWZRJJASA-N	313.397	3.111	10	20	DGCD	
CCOc1ccc(CNCc2ccc(OC)c(OC)c2O)cc1	892673096	GAJHWLLGPQSDCF-UHFFFAOYSA-N	317.385	3.098	10	20	DGCD	
Cc1cc(CNC(=O)c2cccc(O)c2O)c2[nH]c(C)c(C)c2c1	790570301	BATNPHBZXSTYPL-UHFFFAOYSA-N	324.380	3.434	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccnc(C2CC2)c1	1327166021	CQTTUDKGXXWHCS-UHFFFAOYSA-N	314.732	3.401	10	20	DGCD	
O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(N2CCCC2)cc1	1327951721	JXWRJUZHIPHUPB-HSALFYBXSA-N	314.473	3.412	10	20	DGCD	
C[C@@H]1C[C@H](NCc2ccc(Br)cc2O)CS1	691408576	YVHRTESXWBTDJH-KCJUWKMLSA-N	302.237	3.138	10	20	DGCD	
CO[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1	1335890322	XANLVTMOMXTNGZ-ROUUACIJSA-N	316.445	3.108	10	20	DGCD	
C[C@]1(NCc2ccc(N3CCCC3)cc2)CCO[C@@H]1C1CC1	1254572779	CNZWJWOWAJKIFO-MOPGFXCFSA-N	300.446	3.334	10	20	DGCD	
Cc1ncc(C)c(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	1262018424	HXQRFOBIKIMDJH-GFCCVEGCSA-N	313.405	3.042	10	20	DGCD	
CC1(C)CN(C(=O)NCc2ccc(N)cc2)Cc2ccccc21	1346738763	KIEOAAPOTDQGPP-UHFFFAOYSA-N	309.413	3.272	10	20	DGCD	
O=C(O)CC1(NCc2cc(Cl)c(F)cc2O)CCCC1	1610758383	SYZOAWWAGWNQNW-UHFFFAOYSA-N	301.745	3.062	10	20	DGCD	
O=C(O)[C@H]1C[C@@H](C2CCCCC2)CN1Cc1ccccc1O	1610736679	YOCJOGPZRURKAE-HZPDHXFCSA-N	303.402	3.248	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCO[C@@H](C)CC(C)C)c1	88360180	UYVXUOOKDSSIOQ-UONOGXRCSA-N	323.433	3.419	10	20	DGCD	
C[C@H]1CC[C@H](C)N1C(=O)NCc1ccc2c(c1)CCCN2C	131352479	LCQZPPIYQHBQMU-KBPBESRZSA-N	301.434	3.151	10	20	DGCD	
C[C@@H](NCc1cnn(C)c1)c1ccc(N2CCCCC2)c(F)c1	151146380	UBXABLTYVFVRAY-CQSZACIVSA-N	316.424	3.400	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)CCn2cccn2)cc1F	157773042	UWYJYETZBDRRSA-OAHLLOKOSA-N	318.440	3.437	10	20	DGCD	
CN(c1ccc(CNC(=O)C(C)(C)CN)cc1)C1CCCCC1	166470411	WQXUCMSKBHRLJF-UHFFFAOYSA-N	317.477	3.057	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CCN(c3ncccc3F)C2)c(O)c1	185687553	RTJDHJQVOGNBNN-KGLIPLIRSA-N	315.392	3.164	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NCc2ccc([S@@](C)=O)cc2)c1	186094649	ZMQJCNWMFPZOPS-YEJXKQKISA-N	303.427	3.289	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1ccc(F)cc1O	186189686	WWABCROATLMCJR-GTNSWQLSSA-N	307.340	3.229	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(Cl)n1	195250778	PRDHENJYAKATCQ-UHFFFAOYSA-N	315.804	3.265	10	20	DGCD	
CC(C)COc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1	236675530	LJXUORZZJFPZKI-UHFFFAOYSA-N	312.413	3.163	10	20	DGCD	
Cc1cccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1O	271812872	LFUQUNMLXDNWNP-ZSEKCTLFSA-N	303.427	3.289	10	20	DGCD	
C[C@H](N[C@H]1CSC1(C)C)c1ccc(N2CCOCC2)c(F)c1	283376163	OJHGVBVBWSVBLX-LRDDRELGSA-N	324.465	3.207	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCC(=O)N2CCCCC2)c(O)c1	284879839	BJMAGUFMTAHZLH-HNNXBMFYSA-N	304.434	3.062	10	20	DGCD	
CC[C@H](N[C@@H]1CC[C@H](C(=O)OC)C1)c1cccc(Cl)c1O	286894180	DEWOUEMGUXMJDM-WDMOLILDSA-N	311.809	3.428	10	20	DGCD	
CON(CC(C)(C)C)C(=O)NCc1ccc(N2CCCC2)cc1	287492965	IUWXTJZMWPYRFY-UHFFFAOYSA-N	319.449	3.406	10	20	DGCD	
CCCOc1ccc(CNC[C@@H]2COc3ccccc32)c(O)c1	288627380	SHAIIQGFRLVTPB-OAHLLOKOSA-N	313.397	3.447	10	20	DGCD	
CCN(CC)c1ccc(CNCC2(COC)CCOCC2)cc1	291646740	CFWVNEBEVGRERN-UHFFFAOYSA-N	320.477	3.066	10	20	DGCD	
Cc1nc(C(C)C)oc1C(=O)NCc1ccc(N(C)C)c(F)c1	292209270	PNXHBXWPTNZOAA-UHFFFAOYSA-N	319.380	3.242	10	20	DGCD	
COCC1(CN[C@H](C)c2ccc(C)c(C)c2O)CCOCC1	293785246	UCQANMYRJFEQGT-OAHLLOKOSA-N	307.434	3.103	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2ccc(F)cc2F)c1	305767938	IHBJKBGYBRQLOR-BMLIUANNSA-N	323.339	3.063	10	20	DGCD	
COc1ccc(CNCc2c[nH]nc2-c2cccs2)c(O)c1	366827809	NNVNBARJVAUIJH-UHFFFAOYSA-N	315.398	3.142	10	20	DGCD	
Cc1ncc2c(n1)CC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C2	370671189	OFBSIWGFCBOHFC-GUYCJALGSA-N	310.445	3.059	10	20	DGCD	
CC(C)(C)C(=O)N1CCC(NCc2cc(Cl)ccc2O)CC1	394493609	SMSUSTMHQGLADX-UHFFFAOYSA-N	324.852	3.172	10	20	DGCD	
C[C@H]1C[C@@H](NCc2cccc(Br)c2O)CS1	397957504	ZVAHSWBVYLVEAB-WCBMZHEXSA-N	302.237	3.138	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCc2cc(F)ccc21	588408147	VLCVBQREUCCNPK-HTUWBFOXSA-N	313.328	3.054	10	20	DGCD	
Cn1cc(/C=C/C(=O)N(Cc2cscn2)c2ccccc2)cn1	731178257	OHSZOMVFWFTQIF-BQYQJAHWSA-N	324.409	3.123	10	20	DGCD	
C[C@@]1(NCc2cc3c(cc2O)OCO3)CCCc2ccccc21	734843791	QDOUMYRJDLRHAA-LJQANCHMSA-N	311.381	3.462	10	20	DGCD	
CC(C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	745788536	LXPTZMLBMLBRFN-HNNXBMFYSA-N	321.440	3.469	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC(N3CCCCC3)CC2)c1	754720247	OGZLPEPHVWDUSO-UHFFFAOYSA-N	302.462	3.459	10	20	DGCD	
CC1=C(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCO1	755703030	DRYXUQSAYGVMSB-UHFFFAOYSA-N	314.429	3.378	10	20	DGCD	
CC1CCN(CCN[C@@H]2C[C@@H](C)c3c(F)ccc(O)c32)CC1	756412950	WMNGUPHMIWKGCM-UKRRQHHQSA-N	306.425	3.401	10	20	DGCD	
CCO[C@H](CC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C	761539835	DSPRSVIMLVQZAJ-BLLLJJGKSA-N	309.406	3.029	10	20	DGCD	
C[C@H](O)CN(Cc1ccccc1)Cc1c(O)cccc1Cl	768893477	RLOGGSWQCQKSTO-ZDUSSCGKSA-N	305.805	3.429	10	20	DGCD	
C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccccc1O	770504545	IZLISEHPMQFEJR-KBPBESRZSA-N	320.433	3.127	10	20	DGCD	
C[C@@H](NC(=O)c1cccc2c[nH]nc12)c1ccc(N(C)C)cc1	775402682	FTZGQJKARDQZTE-GFCCVEGCSA-N	308.385	3.120	10	20	DGCD	
CNc1snc(C)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775406897	PYVHXRJTYPBMFS-JTQLQIEISA-N	318.446	3.050	10	20	DGCD	
CCN(C(=O)/C=C\c1cnc(OC)nc1)c1cccc(Cl)c1	775782103	AXMHZWDFLXROOG-FPLPWBNLSA-N	317.776	3.205	10	20	DGCD	
COc1cccc(CN2C[C@@H](C)Oc3c(F)cccc32)c1O	776008079	RCYHGGFTINDHOA-LLVKDONJSA-N	303.333	3.327	10	20	DGCD	
COc1cc(O)c(CN[C@H]2CSc3ccccc32)cc1OC	776207264	FYVFPFAOUSUEDT-ZDUSSCGKSA-N	317.410	3.346	10	20	DGCD	
C[C@@H]1CCCC[C@H]1CCNC(=O)/C=C\c1ccc(O)c(O)c1	779519420	DCLNWKUXFWMKBP-NQSJFCTJSA-N	303.402	3.444	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)CC2(OC)CCC2)cc1	790231956	VWEOUAGUSNRLSB-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
CC(C)C[C@@H](CNCc1c(O)ccc(Cl)c1F)N(C)C	790949650	GSQSWGOELBIGTC-NSHDSACASA-N	302.821	3.251	10	20	DGCD	
CC[C@@H](O)CCCNCc1ccc(N(C)C)cc1C(F)(F)F	792993914	ZUPWOGDFMAQBIZ-CQSZACIVSA-N	318.383	3.412	10	20	DGCD	
CN(C)CCN(Cc1ccccn1)Cc1c(O)cccc1Cl	809741961	DAEVSONPOBHYGB-UHFFFAOYSA-N	319.836	3.004	10	20	DGCD	
CC[C@H](NC[C@H](O)C(C)C)c1ccc(C(F)(F)F)cc1O	810219973	YYVMCDOHWBJIAN-JSGCOSHPSA-N	305.340	3.469	10	20	DGCD	
Cc1ccc([C@H](C)NCc2ncn(-c3ccccc3)n2)c(O)c1	815657949	NKYKRGYTQVSGKO-AWEZNQCLSA-N	308.385	3.132	10	20	DGCD	
COCC1(CCNCc2cc(Cl)cc(F)c2O)CCC1	816638422	LQWMXKODXPWAPO-UHFFFAOYSA-N	301.789	3.481	10	20	DGCD	
CON1CCC(N[C@H](C)c2cc(Cl)c(Cl)cc2O)CC1	817588377	ONEHEJNRNILIEM-SECBINFHSA-N	319.232	3.375	10	20	DGCD	
C[C@@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(N2CCCCC2)cc1	817977010	ZJPFXPRVAXWCML-PVAVHDDUSA-N	305.441	3.028	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)c3ccoc3)C2)cc1	818345791	YCSINUYHZWLZCK-GJZGRUSLSA-N	300.402	3.465	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@H](N3CCCC3)[C@@H]2C)cc1Cl	825900794	RNZLFCJNTSEYCQ-BBRMVZONSA-N	308.853	3.413	10	20	DGCD	
Cn1c(C2CC2)nc2cc(NC(=O)Cc3ccc(N)cc3)ccc21	831470862	RARFWTIAFSNQTI-UHFFFAOYSA-N	320.396	3.214	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](Cn1cccn1)C(C)C	834589731	OFYBXAPDGBOWFC-GOSISDBHSA-N	300.450	3.072	10	20	DGCD	
CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C1=CCCC1	837216067	MNKLNYVOQKHUQP-CSKARUKUSA-N	301.386	3.364	10	20	DGCD	
CC(C)(C)C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	840148816	ANTOCHDWFMQVFW-WBMJQRKESA-N	305.418	3.076	10	20	DGCD	
CCC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(=O)O	840996850	HBBGPMYEMLEWJO-CYBMUJFWSA-N	318.339	3.114	10	20	DGCD	
C[C@@H](NC(=O)Nc1ccc(CN)cc1)c1ccc(N(C)C)cc1	841322000	FQFMOLSWYQWFMX-CYBMUJFWSA-N	312.417	3.094	10	20	DGCD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCc1ccc(N)cc1	841734796	NNJZFZMRRNSMDT-SFHVURJKSA-N	309.413	3.106	10	20	DGCD	
CCOC(=O)c1coc(NCc2ccc(N(CC)CC)cc2)n1	842024303	NTBVSRXHTDZQLI-UHFFFAOYSA-N	317.389	3.310	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](C)c2cc(Br)cc(F)c2O)CO1	842928903	KYZDMPUVNATART-NQMVMOMDSA-N	318.186	3.122	10	20	DGCD	
CCCC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	844283101	ZGBHEJXDJKNZTM-UHFFFAOYSA-N	304.434	3.170	10	20	DGCD	
CCc1cccc(CNC[C@](C)(O)c2ccc(F)cc2F)c1O	848896396	AIVKCUZNCGNPBS-SFHVURJKSA-N	321.367	3.230	10	20	DGCD	
CC(C)(C)n1cc(COc2ccc(N3CCCC3)cc2)nn1	853675094	NDKFSXVKBMVPRP-UHFFFAOYSA-N	300.406	3.212	10	20	DGCD	
COC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cc1F	864009171	UOYFDZOZAXJCKI-UHFFFAOYSA-N	320.339	3.430	10	20	DGCD	
CCCOc1ccc(CN[C@@H](C(N)=O)c2ccccc2)cc1C	873010086	ABHGHHSUAMUFBV-GOSISDBHSA-N	312.413	3.100	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)N1[C@H](C)CCC[C@H]1C	879650081	ZXCQMSJMXKTYFX-TUVASFSCSA-N	304.434	3.221	10	20	DGCD	
CCN(CCN[C@@H](C)c1c(O)cccc1F)CCC(F)(F)F	886598994	OTBZRHFTFHHFNN-NSHDSACASA-N	322.346	3.456	10	20	DGCD	
COc1cc(C)cc(CN[C@@H](C)CCc2cccn2C)c1O	894266169	QWCSQMUJTFMICU-AWEZNQCLSA-N	302.418	3.159	10	20	DGCD	
COc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)c(O)c1OC	894544439	NFXVVQHOPQTIOH-KRWDZBQOSA-N	303.402	3.174	10	20	DGCD	
Cc1occc1CNC[C@H](c1ccc(N(C)C)cc1)N(C)C	898449356	CJAQFTDNBDTWJL-GOSISDBHSA-N	301.434	3.047	10	20	DGCD	
CCN(CC)c1ccc(CNc2cccn(CC)c2=O)cc1F	902121451	HZRQEGAUBNEZMA-UHFFFAOYSA-N	317.408	3.466	10	20	DGCD	
CN(C)c1ccc(CN(Cc2nnc(C3CC3)o2)C2CC2)cc1	920206954	SKLQBZVOSPVXOX-UHFFFAOYSA-N	312.417	3.178	10	20	DGCD	
CC(C)Oc1ccc(CNCc2ccc3c(c2)CCCO3)cn1	921538359	BHVYLDYVKOJXOV-UHFFFAOYSA-N	312.413	3.484	10	20	DGCD	
COc1ccc(CNCc2ccc3c(c2)CCCO3)c(OC)c1	921559695	UEPPCMGRVPGCNR-UHFFFAOYSA-N	313.397	3.319	10	20	DGCD	
C[C@H](N[C@H](C)C1(Cl)CC1)c1ccc(N2CCOCC2)cc1	924795907	RDUILZQAIBIJGY-UONOGXRCSA-N	308.853	3.334	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1c2ccccc2C[C@@H]1O	1116584288	CZLVPKIUZYCLGH-KRLKJCFRSA-N	309.409	3.497	10	20	DGCD	
CC(C)C[C@H](CCO)CNCc1cc(F)c(N(C)C)cc1F	1118798663	GFQLRKAXQBRZPJ-ZDUSSCGKSA-N	314.420	3.165	10	20	DGCD	
Cc1cncc(/C=C/C(=O)N(C)c2cccc3c2CCCN3)c1	1120731376	XJNWBNVBMVWUQP-CMDGGOBGSA-N	307.397	3.424	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCN(C)CC(F)(F)F	1321022754	ICOYIDNJZZXWDJ-NEPJUHHUSA-N	316.367	3.333	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H](F)Cc1ccccc1	1325346072	RLXQQLMPKOIWBL-LLVKDONJSA-N	319.723	3.396	10	20	DGCD	
C[C@H]1CCCC[C@@H]1OCC(=O)Nc1c(Cl)ccc2nonc12	1329517138	AJGMMOFCSPYVAX-CABZTGNLSA-N	323.780	3.410	10	20	DGCD	
COc1cc(C)cc(CN(Cc2ccccc2)[C@H](C)CO)c1O	1334346424	BBNQDSDHFZTYNG-OAHLLOKOSA-N	315.413	3.092	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ncc(Cl)s3)ccc21	1344334611	KUEOBVYXOWAPQG-UHFFFAOYSA-N	321.833	3.109	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@H]2CCCC[C@H]21	1348046698	INXWXHFXKINLDF-BPLDGKMQSA-N	303.402	3.321	10	20	DGCD	
CC1([C@H](NCc2ccc(N3CCCCC3)cc2)C(=O)O)CC1	1776513860	CNJCPOXFAGLBHG-MRXNPFEDSA-N	302.418	3.020	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H]2CCC[C@@H]2C(=O)O)cc1	1776861074	KJCDRKZBVSLIDA-RDJZCZTQSA-N	304.434	3.123	10	20	DGCD	
Cc1cccnc1CNC(=O)c1cc(C)n(-c2ccccn2)c1C	104564906	FVFQCIMSRXHBMB-UHFFFAOYSA-N	320.396	3.123	10	20	DGCD	
COc1cccc(CNC(=O)C[C@@H](C)c2ccccc2F)c1O	105650646	MNRAFAGENQNHQN-GFCCVEGCSA-N	317.360	3.350	10	20	DGCD	
COc1ccc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)c(O)c1	54441461	TUVVSINAINHVKT-OAHLLOKOSA-N	318.760	3.251	10	20	DGCD	
CCOC[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	177366595	AURBIDNSBAUCID-LBPRGKRZSA-N	311.809	3.107	10	20	DGCD	
Oc1ccc(Cl)cc1CNCc1cccc2c1OCCCO2	128511233	IUSROHPSZLCAKH-UHFFFAOYSA-N	319.788	3.497	10	20	DGCD	
CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	186200430	ZRNUNENGKJJBTP-KBXCAEBGSA-N	302.418	3.160	10	20	DGCD	
C[C@H](c1ccco1)N(C)C(=O)NCc1ccc(N(C)C)cc1	124127894	ZYPGTGUOCQVSGA-CYBMUJFWSA-N	301.390	3.248	10	20	DGCD	
O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCC3)ccc21	75288506	LDOXFVVVLOSSDZ-UHFFFAOYSA-N	305.333	3.201	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(CC(F)(F)F)CC2(C)C)c1	184798970	DARGVXVBTAHLNT-UHFFFAOYSA-N	316.367	3.159	10	20	DGCD	
CCOC(=O)Nc1ccc(NCc2ccccc2O)cc1C#N	181507199	PTOVWHBYIIZWLF-UHFFFAOYSA-N	311.341	3.444	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(C#N)c(O)c1	188412273	IKSIPSCVGWVVAD-UHFFFAOYSA-N	310.353	3.022	10	20	DGCD	
CCc1ccccc1OCC(=O)NCc1ccc(N(C)C)cc1	78982414	NXAPBWATESADBU-UHFFFAOYSA-N	312.413	3.010	10	20	DGCD	
C[C@H](c1ccccc1)N(Cc1ccccc1O)CC1OCCO1	180217739	RPKJHQDOBZBAJH-OAHLLOKOSA-N	313.397	3.328	10	20	DGCD	
CCOC(=O)N1CCC([C@@H](C)N[C@H](C)c2ccccc2O)CC1	187685750	LINNNGUVMCMTSS-ZIAGYGMSSA-N	320.433	3.300	10	20	DGCD	
C[C@H](N[C@H](C)CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1	227689281	SQTGKCDANSEYRX-KGLIPLIRSA-N	321.465	3.316	10	20	DGCD	
COC(=O)CN(Cc1ccccc1)Cc1cc(C)c(C)cc1O	49979292	VSPHUJACIAYDTD-UHFFFAOYSA-N	313.397	3.184	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)C(=O)c2ccccc2)cc1	194133070	ZDGXYIQCGCWFTN-UHFFFAOYSA-N	310.397	3.032	10	20	DGCD	
Nc1ccc(CC(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1	238068040	GXYQOGOGEMTRCZ-IBGZPJMESA-N	306.409	3.490	10	20	DGCD	
CN(C)c1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1	93338211	FGMXXQIHPBSCAL-UHFFFAOYSA-N	311.385	3.219	10	20	DGCD	
C[C@H](c1ccco1)N(Cc1cc2c(cc1O)OCO2)C1CC1	92484155	KWNVIETUHBXUJU-LLVKDONJSA-N	301.342	3.440	10	20	DGCD	
Cc1ccccc1C1(CNC(=O)NCc2ccccc2O)CC1	263819056	JJHWUZOINRCZKW-UHFFFAOYSA-N	310.397	3.232	10	20	DGCD	
C[C@@H](NC[C@@H](O)c1ccccc1F)c1ccc(N(C)C)cc1	268767385	CLSCURWQLZSVMA-FZKQIMNGSA-N	302.393	3.276	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)[C@@H](O)c2cccc(F)c2)c1	273490332	OBSNIAGUIQUWLM-OAVHHTNSSA-N	319.376	3.313	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2c(C)nc3sccn23)c1	271759539	YHGXJTIMBJQQCI-UHFFFAOYSA-N	317.414	3.050	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cnc(OC)c(Cl)c2)c1	271855466	SJDTUQMXIQMVOO-JTQLQIEISA-N	322.792	3.309	10	20	DGCD	
C[C@H](N[C@H](C1CC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O	287384093	PRTKQCXCYRIAJT-JVXZTZIISA-N	304.268	3.292	10	20	DGCD	
CCOc1cccc(CN2CC[C@H](C3CCOCC3)C2)c1O	377241875	GSKRYQFVRGZYEX-HNNXBMFYSA-N	305.418	3.039	10	20	DGCD	
CC[C@@H](NCCCN1CCCO[C@H](C)C1)c1ccc(F)cc1O	287534716	PCOKPDIZORSUQK-RHSMWYFYSA-N	324.440	3.073	10	20	DGCD	
COc1cc(Cl)cc(CNc2ccc3c(c2)C(=O)OC3)c1O	809789268	XOULAWMFYKWFGD-UHFFFAOYSA-N	319.744	3.337	10	20	DGCD	
OC[C@]1(Cc2ccccc2)CCCN(Cc2ccccc2O)C1	291331348	UPNRCGLLVVMOMT-FQEVSTJZSA-N	311.425	3.209	10	20	DGCD	
CC[C@H](N[C@@H]1CCC[C@@H]1C(=O)NC)c1cccc(Cl)c1O	806150152	MHIZBAIZENNQKA-FPMFFAJLSA-N	310.825	3.001	10	20	DGCD	
Oc1c(CNCc2cnn3ccccc23)ccc2ccccc12	816609012	PWCGQBCDHZEXPG-UHFFFAOYSA-N	303.365	3.483	10	20	DGCD	
OC[C@@H](NCc1cc(Cl)c(F)cc1O)c1ccc(F)cc1	816551298	WLJPMDKXNZIASC-CQSZACIVSA-N	313.731	3.147	10	20	DGCD	
C[C@H](N[C@H]1CCCNC1)c1ccc(N2CCCCCC2)cc1	817940076	DDSGCTXGUGVHHZ-WMZOPIPTSA-N	301.478	3.470	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@@H](CN)C1)c1cc(Cl)c(Cl)cc1O	817980650	CTVBCHSPQPVSIL-IVZWLZJFSA-N	303.233	3.477	10	20	DGCD	
CCC[C@@H](NCc1c(C)c2ccccc2n1C)C(=O)OCC	481569131	DCJMOUHKCUUBBL-OAHLLOKOSA-N	302.418	3.308	10	20	DGCD	
O=C1NCc2ccc(NCc3ccc4ccccc4c3O)cc21	816563740	IRKZZSCVOBPBGT-UHFFFAOYSA-N	304.349	3.401	10	20	DGCD	
Oc1cc(F)c(Cl)cc1CN1CCC[C@H](N2CCCC2)C1	816493111	PIPNODFMFXNMLN-ZDUSSCGKSA-N	312.816	3.245	10	20	DGCD	
CN1CCCc2cc(CNC[C@H](O)c3ccc(F)cc3)ccc21	727643769	JTTBULUJUFXODI-IBGZPJMESA-N	314.404	3.031	10	20	DGCD	
COc1ccc2c(c1)[C@@H](NCCc1ccc(N)cc1)CCCO2	817955469	BPMLCGSZUILSLW-SFHVURJKSA-N	312.413	3.323	10	20	DGCD	
CCOc1ccc(CN[C@H](CC)COCC(F)(F)F)c(O)c1	824556087	ZUUBQJZJGHBJQU-GFCCVEGCSA-N	321.339	3.238	10	20	DGCD	
CC(=O)CCCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	820005721	ALBMGACNBPGJND-UHFFFAOYSA-N	322.368	3.094	10	20	DGCD	
Cc1nc(CC(C)C)sc1C(=O)NCc1ccc(N)cc1	837303156	WVHZWZDYJOTERP-UHFFFAOYSA-N	303.431	3.162	10	20	DGCD	
Cn1ccnc1[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccccc1	834503243	XBJVMMGICJKZOV-LPHOPBHVSA-N	319.408	3.492	10	20	DGCD	
CC(C)CCCCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832265998	CGAUHPJDXWFNEZ-GOSISDBHSA-N	319.493	3.475	10	20	DGCD	
COC1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1	836405928	ONPBUOPBJUWHMX-CQSZACIVSA-N	319.449	3.072	10	20	DGCD	
C[C@@H](CC1CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1	839143856	CYYPZPMQSBZEOL-LBPRGKRZSA-N	310.388	3.080	10	20	DGCD	
CC[C@@H]1CN(Cc2c(O)ccc3ccncc23)[C@H](CC)CO1	844724982	GFUOBCNYTUXLTL-HUUCEWRRSA-N	300.402	3.330	10	20	DGCD	
Nc1ccc(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1	841298892	SVHMYNFBAGKNAF-KRWDZBQOSA-N	310.401	3.377	10	20	DGCD	
CCOc1ccc(CN(CCCN)Cc2ccccc2)c(O)c1	843107167	AQPSLAQXUMPBRD-UHFFFAOYSA-N	314.429	3.142	10	20	DGCD	
CC[C@H](CNC(=O)c1cc(O)cs1)Oc1ccccc1F	748859360	KEEISKZNQNAWDI-LLVKDONJSA-N	309.362	3.180	10	20	DGCD	
CO[C@H](C)CCN[C@H](C)c1cc(Br)c(F)cc1O	756525394	BMDMUQLHOXXHDF-RKDXNWHRSA-N	320.202	3.369	10	20	DGCD	
C[C@@H](C[C@@H](C)O)NCc1ccc(OCc2ccccc2)cc1O	753571785	XNDNPWROZYQONY-LSDHHAIUSA-N	315.413	3.220	10	20	DGCD	
COc1cccc2c1CC[C@@H](NCc1ccc3c(c1)CCO3)C2	756034262	IWYLFEUKTFWYEX-QGZVFWFLSA-N	309.409	3.277	10	20	DGCD	
CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1ccc2ccccc2c1O	756775747	SLNVGFYXALSTJA-CSMYWGQOSA-N	312.413	3.111	10	20	DGCD	
CN(C)c1ccc(/C=C\c2ncc(/C=C/C(=O)O)s2)cc1	751035020	DRJVFHZYRZCWJR-APQBBXBWSA-N	300.383	3.477	10	20	DGCD	
CS[C@@H](C)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	752099420	IBKPAHLKHSIKIA-ZDUSSCGKSA-N	323.462	3.426	10	20	DGCD	
CC(C)(C)N1CC[C@@H](NCc2c(O)ccc(Cl)c2F)C1	850351932	XISIXWGMWZLNSP-SNVBAGLBSA-N	300.805	3.147	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccccc2NC(C)=O)c1	756734300	VQOKQJFNJSCTTI-GFCCVEGCSA-N	314.385	3.210	10	20	DGCD	
C[C@H](N[C@H](C)Cn1cccn1)c1ccc(Br)cc1O	756671258	FXZAPFUSBOUYFN-MNOVXSKESA-N	324.222	3.091	10	20	DGCD	
CC[C@@H](NCCCC(=O)N(CC)CC)c1ccc(N(C)C)cc1	764945574	PLNCCGBRLIHOEM-GOSISDBHSA-N	319.493	3.442	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C)C1)c1ccc(N2CCCCC2)c(F)c1	765765013	BWDSYVXHLVHPFM-GDBMZVCRSA-N	305.441	3.171	10	20	DGCD	
CCN(CCC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C	760992129	OVUJOWNJXKZUFF-UHFFFAOYSA-N	315.461	3.401	10	20	DGCD	
C[C@H](CN[C@H](C)c1ccc(Cl)cc1O)CC1(C)OCCO1	866427018	GWNDAMQUVFWDAG-NWDGAFQWSA-N	313.825	3.485	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn(CC2CC2)c1	866598604	JLWLWMXZUXNUCB-UHFFFAOYSA-N	313.401	3.051	10	20	DGCD	
COc1cccc(CNCCC2CCN(C(C)C)CC2)c1O	865717087	NTWFFSLKHYCPLY-UHFFFAOYSA-N	306.450	3.001	10	20	DGCD	
C[C@@H](NCc1cc2c(nc1O)CCCC2)c1ccc(F)cc1O	866640657	IEKXHERBZSZPMJ-LLVKDONJSA-N	316.376	3.362	10	20	DGCD	
Oc1cc2c(cc1CN1CC[C@H]([C@@H]3CCOC3)C1)CCCC2	768461849	GCKITAOIQLDQDM-DLBZAZTESA-N	301.430	3.129	10	20	DGCD	
Fc1cc(CN2[C@H]3CCC[C@H]2CC3)ccc1N1CCOCC1	769450126	AFIOQGKJZVYCRA-HOTGVXAUSA-N	304.409	3.179	10	20	DGCD	
CN(C)c1ccc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)cc1F	877856544	DRDPHLPIPPHBEE-OAHLLOKOSA-N	321.440	3.147	10	20	DGCD	
Cc1nc2ccccc2c(C)c1C(=O)NCc1ccccc1O	774066383	SWYJLZNPWPZPME-UHFFFAOYSA-N	306.365	3.487	10	20	DGCD	
Cc1ccncc1/C=C\C(=O)N1CCOc2ccc(Cl)cc21	784048933	HLYQVSXUMQVMJH-DJWKRKHSSA-N	314.772	3.482	10	20	DGCD	
C[C@H](NCCc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1O	786940155	PURUQXWJGFHAQK-JTQLQIEISA-N	322.311	3.472	10	20	DGCD	
COc1ccc(CNCc2ccc(Cl)s2)c(O)c1OC	892499996	DBLGUWJSXOKEGF-UHFFFAOYSA-N	313.806	3.414	10	20	DGCD	
Cc1cc(O)c(CN2CCO[C@]3(CCO[C@H]3C)C2)cc1C(C)C	794661303	HDJYCBQYZMVQGV-HNAYVOBHSA-N	319.445	3.204	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)cc1	799716463	RXVSXYVKOPYWOT-HNNXBMFYSA-N	305.425	3.491	10	20	DGCD	
O=C(Nc1nc2ccccc2n1C1CC1)c1cccc(O)c1O	790902797	QTOYNJAAOSFZEP-UHFFFAOYSA-N	309.325	3.035	10	20	DGCD	
Cc1c([C@H](C)NCc2ccc(Br)cc2O)cnn1C	701025665	IFNWPJXDEQCJAV-VIFPVBQESA-N	324.222	3.047	10	20	DGCD	
CCOCCC1(CNC(=O)N[C@H](C)c2ccccc2O)CCC1	1332117741	YPCBJSONOPOWMU-CQSZACIVSA-N	320.433	3.349	10	20	DGCD	
COc1ccc2c(c1)CCN(Cc1cc(OC)c(C)cc1O)C2	1330045440	JRIQOGUERGZVMD-UHFFFAOYSA-N	313.397	3.276	10	20	DGCD	
C[C@H](N[C@@H]1CCSC(C)(C)C1)c1cc(C(=O)O)ccc1O	1593232915	QAWGULMUHHHGGB-CMPLNLGQSA-N	309.431	3.415	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)c1ccc(C(=O)O)c(C)n1	1776868076	JSJIXBGQJURSFD-UHFFFAOYSA-N	313.401	3.181	10	20	DGCD	
COc1cc(C)cc(CN2CCN(C3CCCCC3)CC2)c1O	164520687	JOXFPYUQICCIAG-UHFFFAOYSA-N	318.461	3.160	10	20	DGCD	
CCc1nnc(CN2CCCc3cc(OC(F)F)ccc32)o1	65597402	QTIBCTSZYUWEOS-UHFFFAOYSA-N	309.316	3.186	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(OCC)nc1	66096245	WVQNJOGDXSOOGQ-UHFFFAOYSA-N	314.385	3.238	10	20	DGCD	
COc1ccc(N(C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1F	121776611	WDCIHFCMFXPGEH-STQMWFEESA-N	308.397	3.060	10	20	DGCD	
CN(CCO)c1ccc(NCc2c(O)cccc2Cl)cc1	123276390	MWKROJMKKIRRQB-UHFFFAOYSA-N	306.793	3.086	10	20	DGCD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1	158928419	YIXOQKVFGBCFDX-MRXNPFEDSA-N	313.397	3.229	10	20	DGCD	
Cc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)c(O)c1O	177673932	DBWPVJSHBOMKHY-UHFFFAOYSA-N	310.309	3.314	10	20	DGCD	
C[C@H](NCC1(N2CCOCC2)CCCCC1)c1ccccc1O	183379627	ZJJXPDIEOSLUOR-INIZCTEOSA-N	318.461	3.078	10	20	DGCD	
C[C@H](NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1O	184912849	FWZQUXSFTPKREJ-MCIONIFRSA-N	324.440	3.070	10	20	DGCD	
Cc1ccc(N2C(=O)/C(=C/c3cnn(C)c3)SC2=S)cc1	208569024	BWFXDMSEAAOFEP-QPEQYQDCSA-N	315.423	3.134	10	20	DGCD	
COc1cccc(CNC(=O)/C=C\c2ccc(Cl)s2)c1O	255602805	DHKHGAUWJQKJCD-VURMDHGXSA-N	323.801	3.445	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@H]2COC3(CCCC3)O2)c(O)c1C	273488123	NRBHQSBHDFAASF-CABCVRRESA-N	305.418	3.345	10	20	DGCD	
CCOc1cccc(CNCC(C)(C)CN2CCCC2)c1O	276714141	QUOVUFDYTBOGPJ-UHFFFAOYSA-N	306.450	3.003	10	20	DGCD	
CC[C@H](NCc1ccc(C)n(C)c1=O)c1cccc(Cl)c1O	287069633	NYXXMBCSKDPXGS-HNNXBMFYSA-N	320.820	3.294	10	20	DGCD	
C[C@@H]1CN(C)CC[C@H]1N(C)Cc1cc(Cl)cc(Cl)c1O	290587018	VAXYGNJOAAFNHZ-QMTHXVAHSA-N	317.260	3.471	10	20	DGCD	
Cc1nccnc1CCNCc1ccc(N2CCCCC2)cc1	293196615	XLLBQNLFKAXBFA-UHFFFAOYSA-N	310.445	3.108	10	20	DGCD	
CC[C@@H](N[C@H](C)c1ccc(Br)cc1O)C(C)(C)O	295100893	VZHKWNUCRUNTDR-NOZJJQNGSA-N	316.239	3.355	10	20	DGCD	
CC(=O)N1CCC(N[C@H](C)c2ccc3ccccc3c2O)CC1	320028279	GUSMRWAAKKFMNM-CYBMUJFWSA-N	312.413	3.207	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CC([C@H]2CCOC2)C1	373466362	OERDXGTYLAFFHH-VIFPVBQESA-N	302.201	3.167	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)C[C@H]3CC[C@H]2C3)c1	528863396	WBXVUAGONIUKJW-OVSNFEJUSA-N	303.402	3.404	10	20	DGCD	
CCN(CCOC)C(=O)c1sccc1-n1c(C)ccc1C	729313521	KWPGNQPCFDJOOD-UHFFFAOYSA-N	306.431	3.264	10	20	DGCD	
O=C(NCc1ccnc(OC2CCCC2)c1)c1cc(O)cs1	732270036	OABLUPKISSIWQX-UHFFFAOYSA-N	318.398	3.100	10	20	DGCD	
O=C(N[C@@H](c1ccccc1)c1nccs1)c1cc(O)cs1	732287173	OCQXAEFECNRWIG-ZDUSSCGKSA-N	316.407	3.430	10	20	DGCD	
CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(OC)ccc1O	734066466	OQKCAFUXCKFRTA-WFASDCNBSA-N	306.406	3.169	10	20	DGCD	
CC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	735322828	FYZNGGYYSHSIAL-HNNXBMFYSA-N	303.450	3.474	10	20	DGCD	
COC(=O)c1cc(Cl)ccc1OCc1cc(C(=O)O)oc1C	737652004	BAINLDWDVZVVSV-UHFFFAOYSA-N	324.716	3.305	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCOC1CCC1	742818115	SLCOZUKWBQBZJJ-UHFFFAOYSA-N	318.442	3.455	10	20	DGCD	
C[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccsc1	753639780	CQNWHCLAKAHEFV-MNOVXSKESA-N	305.399	3.010	10	20	DGCD	
Cc1nccn1CCCCN[C@H](C)c1cc(F)cc(F)c1O	756597475	NKRULGXDCNIDQA-LLVKDONJSA-N	309.360	3.306	10	20	DGCD	
COC(C)(C)CN[C@@H](C)c1ccc(Br)cc1O	756648128	YVQHEJHAIVLCNS-VIFPVBQESA-N	302.212	3.230	10	20	DGCD	
C[C@@H]1CN(Cc2c(O)cccc2Cl)CCN1CC(F)(F)F	770393490	YQFPYVWXHVVYTD-SNVBAGLBSA-N	322.758	3.114	10	20	DGCD	
C[C@H](NC(=O)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1	773117351	PXXULCACQIVCHC-ZDUSSCGKSA-N	315.392	3.452	10	20	DGCD	
CO[C@]1(CN[C@H](C)c2cc(Cl)c(Cl)cc2O)CCOC1	774359428	PLQGXMBIXLBHHL-OTYXRUKQSA-N	320.216	3.155	10	20	DGCD	
C[C@@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1O	783503106	GQNWHHZELUSXGM-RHSMWYFYSA-N	312.413	3.262	10	20	DGCD	
COCC[C@H](Cc1ccco1)NCc1cc(Cl)ccc1O	784626328	ZSMNSLBUBYZKCN-CQSZACIVSA-N	309.793	3.376	10	20	DGCD	
CSC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1	787448225	CEHYMJRCQRARTM-UHFFFAOYSA-N	305.443	3.173	10	20	DGCD	
C/C=C(\CC)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	788832372	OAODUBMPHHAVKY-DIVFHCTNSA-N	302.418	3.057	10	20	DGCD	
CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1	790778690	KETNZPHJFBSSDJ-OAHLLOKOSA-N	303.333	3.364	10	20	DGCD	
CCc1ccc([C@@H]2CN(C(=O)c3cc(O)cs3)CCO2)cc1	792508651	AANHPQMVZSAQBB-HNNXBMFYSA-N	317.410	3.230	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2CCCOC2)cc1	804289147	OSQUMELVKWSZOT-SFHVURJKSA-N	312.413	3.345	10	20	DGCD	
CC[C@H](NCC1(CO)CC1)c1ccc(C(F)(F)F)cc1O	810220612	ATVQJGYKUVFMEJ-LBPRGKRZSA-N	303.324	3.224	10	20	DGCD	
COc1cc(NCc2c(O)cccc2OC)cc(OC)c1C	814300532	NOWLTCJMSKDTHE-UHFFFAOYSA-N	303.358	3.339	10	20	DGCD	
CC[C@@H]1CN(Cc2ccc3ccccc3c2O)C[C@H](C)[S@@]1=O	816608817	KEOGOYBZQDJKHQ-IATAILRESA-N	317.454	3.277	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc([C@@H](C)N)cc1	817929936	VVDWPOFZWWCWQC-CQSZACIVSA-N	312.413	3.464	10	20	DGCD	
CCC(CC)n1nc(C)cc1C(=O)NCCc1ccc(N)cc1	818544715	JEZJYVUSHZOZMU-UHFFFAOYSA-N	314.433	3.107	10	20	DGCD	
CCC[C@@](C)(N)C(=O)N(C)Cc1ccc(N(CC)CC)cc1	826019505	HIPLNKNRSRLKOI-GOSISDBHSA-N	305.466	3.009	10	20	DGCD	
COc1cc(CN2C[C@@H](C)C[C@H](CO)C2)c(O)c(C(C)(C)C)c1	826130826	MIHNJLWHRZOLOM-KBPBESRZSA-N	321.461	3.149	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H](C)Cc3cnccn3)cc2)CC1	834575973	QPEYPWICVPEWBN-QGZVFWFLSA-N	324.472	3.434	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c1	834895259	HDMPSZSNQRJDFO-KZULUSFZSA-N	312.369	3.099	10	20	DGCD	
COc1cc(Cl)cc(CNCCCCN(C)C2CC2)c1O	835063302	JSRKPSKOEGIDGZ-UHFFFAOYSA-N	312.841	3.018	10	20	DGCD	
CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)F	836244055	LTUFYKLZDDODCN-AWEZNQCLSA-N	311.376	3.130	10	20	DGCD	
CC[C@@H]1CC[C@H](C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)O1	839921058	WREYJVXOEPYKIN-BMGDILEWSA-N	318.461	3.066	10	20	DGCD	
Oc1cc2c(cc1CN1C[C@]3(CCCO3)[C@@H]1C1CC1)CCCC2	840100475	YSUJLUOIPGPDFD-VQTJNVASSA-N	313.441	3.414	10	20	DGCD	
O[C@@H]1[C@@H](NCc2ccc(N3CCCCC3)cc2)CCCC1(F)F	840973416	JOCLEUWTMORTCT-DLBZAZTESA-N	324.415	3.315	10	20	DGCD	
C[C@H]1[C@@H](CO)CCCN1Cc1cc(Cl)cc(Cl)c1O	840978973	QRIZFIGPTGFYMB-VHSXEESVSA-N	304.217	3.292	10	20	DGCD	
Cc1cccc(C)c1NC(=O)CN1CCCc2cc(CN)ccc21	843351536	NTLMNUNPNLKNSQ-UHFFFAOYSA-N	323.440	3.153	10	20	DGCD	
Cc1sccc1CNCc1ccc(N2CCC(O)CC2)cc1	850406891	YBDLXKUZMSERSA-UHFFFAOYSA-N	316.470	3.307	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1	858305209	SJLMZIRLHLUTOP-LMMKCTJWSA-N	322.408	3.086	10	20	DGCD	
Cc1ccc(C(=O)N2C[C@H]3C[C@H]3C2)cc1-n1c(C)cc(C=O)c1C	862557826	KDQAWTDPQLUTQA-CALCHBBNSA-N	322.408	3.307	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCCOc2cccc(F)c2)c1	862759164	XNSWHVYJCUMSJF-UHFFFAOYSA-N	317.360	3.315	10	20	DGCD	
CCCOc1ccc(CN[C@@H](Cc2ccco2)C(=O)O)cc1C	871879103	ZHOYFBNPILEROA-INIZCTEOSA-N	317.385	3.162	10	20	DGCD	
Cc1ccc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)c(O)c1	877005752	ANZFSFGWDCMHCB-CYBMUJFWSA-N	310.397	3.070	10	20	DGCD	
COCC[C@@H](Cc1ccco1)NCc1cc(C)cc(OC)c1O	894443760	DHZXQCRDQDWIQN-HNNXBMFYSA-N	319.401	3.040	10	20	DGCD	
CN(C)c1ccc(/C=C\CN2CCC[C@@H](CCC(=O)O)C2)cc1	901553526	LPVSYZJUXMKJHH-IVZVJUQRSA-N	316.445	3.343	10	20	DGCD	
N[C@@H](CC(F)F)CN1CCCc2cc(OC(F)(F)F)ccc21	903903564	VRLCGNGSPZKJSI-JTQLQIEISA-N	324.293	3.320	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NC[C@@H](C)N(C)C)c2C)c1	914880153	VVRGFYCFKRADJA-OAHLLOKOSA-N	313.445	3.082	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cnnn2C)c(C)n1-c1ccccc1	926763619	CXIVTRVGFSCQQC-AWEZNQCLSA-N	309.417	3.073	10	20	DGCD	
C[C@H](N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1)C1(C)CC1	1116449155	GEPCVGDSSNTUKC-HNNXBMFYSA-N	319.468	3.198	10	20	DGCD	
Cc1cnc(Cl)cc1C(=O)NCc1ccc(N(C)C)cc1	1119932654	ZCJUOKRFHHXCIF-UHFFFAOYSA-N	303.793	3.039	10	20	DGCD	
Cc1ccc(C(=O)NCCc2c(F)cccc2Cl)c(O)c1O	1319842230	GZYDWHRINDOBCU-UHFFFAOYSA-N	323.751	3.171	10	20	DGCD	
CCNC(=O)C(C)(C)CN[C@H]1C[C@H](C)c2c(C)ccc(O)c21	1323829805	MXEHTCTUKBVMCP-STQMWFEESA-N	304.434	3.001	10	20	DGCD	
Cn1cc([C@@H](N[C@@H]2CCc3cccc(O)c32)c2ccccc2)cn1	1324601145	HNFRJEYMBKUWKY-XLIONFOSSA-N	319.408	3.492	10	20	DGCD	
CCCC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1	1324758836	BTMRTHATWGRVRU-UHFFFAOYSA-N	308.378	3.321	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccccc1[N+](=O)[O-]	1324859783	XOAZCULIBDXLMN-UHFFFAOYSA-N	318.676	3.037	10	20	DGCD	
Nc1ccc(CNC(=O)NCC2(c3ccccc3)CCC2)cc1	1335676957	MMTGFHDWQNQQQC-UHFFFAOYSA-N	309.413	3.190	10	20	DGCD	
CN(C)c1ccc(OCCOc2ccc(F)cc2)cc1C(=O)O	1598328548	RTJYNMLSFDINAP-UHFFFAOYSA-N	319.332	3.048	10	20	DGCD	
CCC(CC)(NCc1ccc(N2CCCCC2)cc1)C(=O)O	1776708254	YVIIKHDOAYBXNZ-UHFFFAOYSA-N	304.434	3.410	10	20	DGCD	
CN(C)c1ccc(/C=C(\C(N)=S)c2nc3ccccc3[nH]2)cc1	7675658	GABKFCHEEPGZKC-SDNWHVSQSA-N	322.437	3.456	10	20	DGCD	
COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(N)cc1	19991780	DTEKZHIDBOANCN-UHFFFAOYSA-N	304.777	3.420	10	20	DGCD	
O=C(C1CCCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	72622166	VSHPNYLAPYCDQN-KRWDZBQOSA-N	317.429	3.480	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC(OCC3CC3)CC2)c1O	79472799	PTSYXSGWTTZMFT-UHFFFAOYSA-N	321.392	3.125	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCc3occc32)cc1	97358645	LJAUXLVOSWIRMG-MRXNPFEDSA-N	313.401	3.222	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cc(Cl)ccc2F)c1	114542180	TZOIEFLWYLCLBW-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)nc2)cc1	128667036	WUTOFXOTAWUWCV-UHFFFAOYSA-N	304.781	3.123	10	20	DGCD	
CC(C)c1ccc(OCC(=O)NCCc2ccc(N)cc2)cc1	152552753	FIFUFSVMAMGKGU-UHFFFAOYSA-N	312.413	3.130	10	20	DGCD	
CC(C)CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	155690139	UUEBYOLJJWFHFS-UHFFFAOYSA-N	313.445	3.393	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(C3CC3)CCC2)c1	162881608	FEABRHBPDNERNZ-LBPRGKRZSA-N	318.417	3.341	10	20	DGCD	
CCOCCCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	165098586	FHZBCIGGDDFBES-HNNXBMFYSA-N	324.440	3.130	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCCC2(C1)OCCO2	184720696	PPVHECMSOPEOAM-UHFFFAOYSA-N	318.200	3.038	10	20	DGCD	
Cc1ccc(O)c(CN2CCC[C@@H](CC(=O)OC(C)C)C2)c1	185580049	QAIGFFZDLVCADZ-HNNXBMFYSA-N	305.418	3.254	10	20	DGCD	
COc1cccc(CNCc2c(Cl)cccc2OC)c1O	188281512	JLYMVPJDXYWQNH-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
COc1cc(Cl)cc(CNc2ccc(CCO)cc2)c1O	228668186	NJXJTQKCBONUAE-UHFFFAOYSA-N	307.777	3.201	10	20	DGCD	
COc1cc(CNCc2cc(C)ccc2O)cc(OC)c1OC	237295716	RUGGEMVQRRFPGX-UHFFFAOYSA-N	317.385	3.016	10	20	DGCD	
COc1ccc(CNC[C@](C)(O)c2ccc(F)cc2)cc1C	270303604	SNECFYNGSTVSHF-SFHVURJKSA-N	303.377	3.140	10	20	DGCD	
COc1ccc(O)c(CNC[C@H]2CCC3(CCCCC3)O2)c1	276838179	SFJYDHLHZWQIDJ-MRXNPFEDSA-N	305.418	3.372	10	20	DGCD	
Oc1ccccc1CNCc1ccncc1OCC(F)(F)F	282299691	RSPXNQVLVMZVMH-UHFFFAOYSA-N	312.291	3.018	10	20	DGCD	
CCn1ccnc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	291481995	MXYRQHVQWOAJLI-UHFFFAOYSA-N	314.433	3.020	10	20	DGCD	
COc1ccc(N(C[C@H](O)c2cccnc2)[C@@H](C)C2CC2)cc1	294951333	MOIKPYOLIOQISP-LIRRHRJNSA-N	312.413	3.429	10	20	DGCD	
CC(C)CN1CCC[C@@H](CN[C@H]2CCc3cccc(O)c32)C1	296954262	QWOXWCUVQFUNJB-RDJZCZTQSA-N	302.462	3.337	10	20	DGCD	
CN(C)c1ccc(CN[C@@H]2CCc3cccc(O)c32)cc1F	297933932	XURNRVOWNALXOS-OAHLLOKOSA-N	300.377	3.374	10	20	DGCD	
Cc1cnc(NCc2ccc(N3CCOCC3)c(F)c2)s1	302089084	GCNOKWAIJSRGBM-UHFFFAOYSA-N	307.394	3.039	10	20	DGCD	
C[C@@H](NC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1O	315868145	NAJRFSGWANYCKT-CYBMUJFWSA-N	304.434	3.080	10	20	DGCD	
Cn1ccnc1[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1	373228798	NDMJGQZWMGCKMN-NSHDSACASA-N	323.799	3.298	10	20	DGCD	
CCOc1cccc(CNC[C@]2(C)CCO[C@@H]2C2CC2)c1O	375121014	NBRBFIZCCMVNRR-MSOLQXFVSA-N	305.418	3.086	10	20	DGCD	
COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@@H]3C[C@H]3C2)CCCC1	628520384	ONKXVWBCQBLHGG-KBPBESRZSA-N	324.424	3.007	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=S)NCc2cccs2)c1	728793438	SFAPTHMJXUWSCT-JTQLQIEISA-N	322.455	3.188	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)c(OC)c2)c1	728979735	LIAFIUSKIWKKQD-GFCCVEGCSA-N	315.369	3.209	10	20	DGCD	
O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc(O)cs1	732268482	LUPVXMBEMNXUAU-OAHLLOKOSA-N	316.426	3.021	10	20	DGCD	
Cc1ccc(-n2ncc(C(=O)NCc3ccccc3O)c2C)cc1	748346702	ULPHJQBOAKUQEA-UHFFFAOYSA-N	321.380	3.125	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)COC)cc1	755440825	MVLPRISPJZAQOH-UHFFFAOYSA-N	306.450	3.164	10	20	DGCD	
COc1cccc(O)c1CN[C@@H]1CCOC2(CCCCC2)C1	767930579	WIXQJYGXFHDMAR-CQSZACIVSA-N	305.418	3.372	10	20	DGCD	
COc1cccc(O)c1CN1CCCN(c2ccccc2)CC1	769000343	TWDLKHFMVHVNPN-UHFFFAOYSA-N	312.413	3.113	10	20	DGCD	
CN1CCN(c2ccc(CN[C@H]3CCC(C)(C)C3)cc2)CC1	771866838	BVLHVLVGBKYIMO-KRWDZBQOSA-N	301.478	3.107	10	20	DGCD	
C[C@@H](NC(=O)Cc1n[nH]c2ccccc12)c1ccc(N(C)C)cc1	775412549	YMEUTNNNDPRSIY-CYBMUJFWSA-N	322.412	3.049	10	20	DGCD	
CC[C@@H](NC1CCC(C(=O)NC)CC1)c1cc(Cl)ccc1O	775497796	UPPRQGCLXOEATE-ABIUDSBCSA-N	324.852	3.391	10	20	DGCD	
C[C@@H]1CN(Cc2ccccc2O)[C@H](C)CN1Cc1ccccc1	779020828	TZOSVQYUXDSHTM-IAGOWNOFSA-N	310.441	3.487	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCCc2ccccc21	779512226	OVZLICVTWNKHNA-LUAWRHEFSA-N	309.365	3.481	10	20	DGCD	
CC[C@H]1C[C@H](CC(=O)NCc2ccc(N(C)C)cc2C)CCO1	781642491	QZOIDPFXUPKHMH-QAPCUYQASA-N	318.461	3.273	10	20	DGCD	
Cn1nc(CNCc2c(O)ccc(Cl)c2F)c2ccccc21	790986647	RYMFCYLBFGSUPZ-UHFFFAOYSA-N	319.767	3.361	10	20	DGCD	
CC[C@@H]1COCCN1Cc1ccc(N(C)C)cc1C(F)(F)F	792789112	UYOHZQIRBUOFFN-CYBMUJFWSA-N	316.367	3.382	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](c2ccccc2)C(C)C)c(O)c1	794382086	XLYVTEWLADYIBY-SFHVURJKSA-N	313.397	3.457	10	20	DGCD	
COc1ccc(CNC(=O)CCCc2ccc(C)s2)c(O)c1	794387619	MSTBPCKEZAADFB-UHFFFAOYSA-N	319.426	3.410	10	20	DGCD	
COc1cc(CN2CC(OC(F)F)C2)c(O)c(C(C)(C)C)c1	797821472	VERDCXWWNUQVKM-UHFFFAOYSA-N	315.360	3.122	10	20	DGCD	
C[C@@H]1C[C@@H](NC[C@@H](N)c2ccccc2)c2c(O)ccc(F)c21	817954047	AQXNPEUONVZDKW-KCPJHIHWSA-N	300.377	3.369	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C=C(CC)CC	819696987	KFMAHBVDLPDSOM-UHFFFAOYSA-N	319.401	3.030	10	20	DGCD	
Oc1ccccc1CN(Cc1ccncc1F)C[C@@H]1CCCO1	823387061	SZOITVAIJJJMCY-INIZCTEOSA-N	316.376	3.108	10	20	DGCD	
CCOc1ccc(CN[C@@H](CC)COCC(F)(F)F)c(O)c1	824556088	ZUUBQJZJGHBJQU-LBPRGKRZSA-N	321.339	3.238	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCS[C@@H]2C)cc1	825721624	QNJMMXDRZRHBRI-CJNGLKHVSA-N	321.490	3.226	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCS[C@@H]2C)cc1	825721625	QNJMMXDRZRHBRI-CZUORRHYSA-N	321.490	3.226	10	20	DGCD	
CCOc1ccc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c(O)c1	830074929	AJJJYQSEDJLFAO-KCXAZCMYSA-N	319.401	3.009	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC3(CCOCC3)C[C@@H]2C)c1O	830617667	QWEOATRGANOOJC-LBPRGKRZSA-N	321.392	3.125	10	20	DGCD	
Cc1ccc(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)c(O)c1O	836910450	YXWSMAZYDJWTSV-ZDUSSCGKSA-N	318.200	3.110	10	20	DGCD	
CN1CCC[C@H](CCNCc2cc(Cl)c(F)cc2O)C1	839183274	VSHJUWCNJOMSPY-LLVKDONJSA-N	300.805	3.006	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C/c1ccc[nH]1	839922894	ZZGUHMLYIJTTAG-HQPKTYMTSA-N	311.429	3.150	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCCCN(C)CC(F)(F)F	840932247	ZRFFFEKLHWZKAF-UHFFFAOYSA-N	317.399	3.035	10	20	DGCD	
C[C@@H](Cc1ccccc1F)NC[C@H](N)c1ccc(N(C)C)cc1	841044068	USOXDEZPXIABLY-LIRRHRJNSA-N	315.436	3.112	10	20	DGCD	
C[C@@]1(CNCc2ccc(N3CCCCC3)cc2)CCCNC1	841056049	AYRMEZHVVFSHMP-LJQANCHMSA-N	301.478	3.156	10	20	DGCD	
CSC1(CNC(=O)NCc2cc(Cl)ccc2O)CCC1	845156548	GBYLUCXLAZQGBV-UHFFFAOYSA-N	314.838	3.131	10	20	DGCD	
CCOCc1cc(CN[C@H]2CCN(C(C)(C)C)C2)ccc1OC	850350988	JOOSHVGNPCJIBP-KRWDZBQOSA-N	320.477	3.194	10	20	DGCD	
CN(C)c1ccc(OC[C@@H]2CCN(C(=O)c3ccccc3)C2)cc1	853693157	OLBNSPCPPCMVHL-MRXNPFEDSA-N	324.424	3.294	10	20	DGCD	
Cc1ccc(O)c(CNCc2cnc([C@@H]3CCCO3)s2)c1	858237081	DYNHKFRUMOETRZ-HNNXBMFYSA-N	304.415	3.298	10	20	DGCD	
C[C@H](NC[C@H]1CCCN1CC(F)F)c1cc(Cl)ccc1O	858479395	QYYRKFVJLJCOMW-CMPLNLGQSA-N	318.795	3.426	10	20	DGCD	
O=[N+]([O-])c1cc(CN2C[C@@H]3C[C@H]3C2)ccc1N1CCCCC1	862440647	JLYGGDRIUNZPAR-GJZGRUSLSA-N	301.390	3.037	10	20	DGCD	
Cc1ccc(O)c(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)c1	862541734	UTRZLNWOPCFXJH-ZDUSSCGKSA-N	308.422	3.046	10	20	DGCD	
C[C@H](CCCCC(=O)O)NCc1cc(F)c(N(C)C)cc1F	864504738	MLZLUFCRBUVRNR-LLVKDONJSA-N	314.376	3.154	10	20	DGCD	
COc1ccc(CNCCc2cccc(Cl)c2)c(O)c1OC	892413489	QRWIAFDSTIHIRC-UHFFFAOYSA-N	321.804	3.395	10	20	DGCD	
C[C@](O)(CN[C@H]1CCc2cccc(O)c21)c1cccc(F)c1	903312299	YQVFQDALIQHCSE-YJBOKZPZSA-N	301.361	3.016	10	20	DGCD	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1	914689174	LEYVNGKTDBIMFJ-JKIFEVAISA-N	303.450	3.377	10	20	DGCD	
CCCCc1nc(CN2CCCc3cc(OC)ccc32)no1	919722340	USEKEUHPTWYEFL-UHFFFAOYSA-N	301.390	3.374	10	20	DGCD	
C[C@@H](NCc1cccc2c1OCC2)c1cc([N+](=O)[O-])ccc1O	927091728	RSEPEBACYQUEGV-LLVKDONJSA-N	314.341	3.086	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)CC(=O)OC(C)(C)C)c1	1116568787	USUJSJIZOSTUGG-NEPJUHHUSA-N	309.406	3.172	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@H]1C[C@@H](C)c2c(C)ccc(O)c21	1323875985	DKNWHUZCPQABSS-ORIJERBGSA-N	305.418	3.033	10	20	DGCD	
Cc1cccc(-n2c(C)cc(CNc3nccnc3CN)c2C)c1	1336686005	NNEYHKAQNCMWEP-UHFFFAOYSA-N	321.428	3.263	10	20	DGCD	
CC(C)CN(CC(=O)Nc1ccc(N)cc1)C(=O)OC(C)(C)C	1575593678	QBFMAHUMWCUTMG-UHFFFAOYSA-N	321.421	3.100	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNc2nc3cccc(F)c3o2)cc1	1578424729	SWTPUGPOEHHDQW-AWEZNQCLSA-N	314.364	3.145	10	20	DGCD	
C[C@H](NCCc1ccccc1F)c1cc(C(=O)O)ccc1O	1593273705	GDRJMHAZSNYMTB-NSHDSACASA-N	303.333	3.123	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)CC(C)(C)CC(=O)O)c1	1599598279	KKKNBHDZBSUPNJ-NEPJUHHUSA-N	309.406	3.331	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2c(F)cccc2F)c1	114565221	UVUWWEBVBPMOPZ-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
COc1ccc(N(C)CC(=O)N(C)c2ccccc2)cc1Cl	121973798	BOAZGEXFQSVENS-UHFFFAOYSA-N	318.804	3.448	10	20	DGCD	
COc1ccccc1NC[C@@H](O)COCc1ccccc1Cl	314552688	KUTXHDFRCLQSQY-CQSZACIVSA-N	321.804	3.338	10	20	DGCD	
CCOCc1nnc(NCc2ccc(N(CC)CC)c(F)c2)o1	181848045	ARKZJHOVFLGPOP-UHFFFAOYSA-N	322.384	3.204	10	20	DGCD	
C[C@@H](NC[C@](C)(O)c1cccs1)c1ccc(F)c(F)c1O	187730403	UVGPZCGVVMTWKU-PSLIRLAXSA-N	313.369	3.290	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2ccccc2O)[C@@H]1Oc1ccccc1	186161941	URCUZOJPNNQFTQ-QRQLOZEOSA-N	313.397	3.107	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2ccc(Cl)s2)cc1	193285212	MXLWVQWPYRCFJW-UHFFFAOYSA-N	308.834	3.326	10	20	DGCD	
COc1cccc([C@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1	237326536	COUAKROLGFYMGB-GOSISDBHSA-N	310.397	3.184	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](CO)Cc2ccc(F)cc2)cc1C	266242088	XSLIEOIEPSPHPR-INIZCTEOSA-N	317.404	3.089	10	20	DGCD	
COCCN(C(=O)Cc1ccc(N)cc1)[C@H](C)c1ccccc1	269255801	XINOTMAOMRZFON-OAHLLOKOSA-N	312.413	3.048	10	20	DGCD	
C[C@H](N[C@H](C)c1ccccc1O)c1ccc2c(c1)CC(=O)N2C	272827777	HCCOOFAFPZWKDX-QWHCGFSZSA-N	310.397	3.323	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](C2CC2)C1	362688020	KQVUWRUWWYYFGP-KRWDZBQOSA-N	313.445	3.228	10	20	DGCD	
C[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(F)cc1O	278504500	QUUOTMAPCJTZSZ-MRVPVSSYSA-N	313.266	3.099	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1	277351294	PJWWBJBVNHQHHA-CWLKWCNXSA-N	316.445	3.122	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cc(Br)ccc2O)n(C)n1	284447787	SIAWQHPBKZTMCJ-JTQLQIEISA-N	324.222	3.047	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1	285533668	LBQIBDPARJMBSY-HNNXBMFYSA-N	316.367	3.032	10	20	DGCD	
CC[C@H](NCc1cnn(CCOC)c1)c1cccc(Cl)c1O	286988565	JLQKAFKQSPKKOF-HNNXBMFYSA-N	323.824	3.129	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)N[C@H]2CCc3cccc(O)c32)n[nH]1	296404353	KNJHDQZPCXDLAW-GVXVVHGQSA-N	300.406	3.362	10	20	DGCD	
CSCc1ccc(CNC(=O)NCc2ccccc2O)cc1	805841059	DDXUMGARGGNULN-UHFFFAOYSA-N	316.426	3.255	10	20	DGCD	
CCOCc1cc(CN[C@H](C2CC2)C(C)(C)CO)ccc1OC	290939282	PSIMIGWQTKVUDN-GOSISDBHSA-N	321.461	3.118	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@H](Cc2ccccc2)OC)c1	294715939	FAXYHOVQYQINGA-YOEHRIQHSA-N	315.413	3.309	10	20	DGCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1nn(C)cc1Cl	393288389	KFFLZXSYLAEBDO-JQWIXIFHSA-N	305.809	3.426	10	20	DGCD	
Cc1cc(CN[C@H](CO)[C@@H](C)c2ccccc2)ccc1N(C)C	815092699	OQQPTTAOARZCRI-QFBILLFUSA-N	312.457	3.315	10	20	DGCD	
CC(C)[C@@H](NCc1cc(Cl)cc(F)c1O)C1(CO)CCC1	814171602	RLESWEFIKJQDCK-OAHLLOKOSA-N	315.816	3.462	10	20	DGCD	
Cc1ccc(O)c([C@H](C)Nc2ccc(COCCO)cc2)c1	818362373	VNKVZPKLIDXSKE-AWEZNQCLSA-N	301.386	3.383	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)Cc2ccc(F)cc2)cc1F	815061430	VAIDSQOKHBNJRA-HNNXBMFYSA-N	307.340	3.013	10	20	DGCD	
CCCC[C@H](COC)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	818342158	MTAYWQIAAUKFRG-DLBZAZTESA-N	320.477	3.316	10	20	DGCD	
C[C@H]1CCN(Cc2ccc(Br)cc2O)CCS1	825691799	BVXWEPFTECBERK-JTQLQIEISA-N	316.264	3.482	10	20	DGCD	
COC(=O)c1cnc(SC2CC(OC(C)(C)C)C2)s1	829678084	YKULVFIMRCXTCC-UHFFFAOYSA-N	301.433	3.368	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(C)CCCC1	734530212	UODBRBIITKQDPK-UHFFFAOYSA-N	303.450	3.441	10	20	DGCD	
COC(=O)c1cnc(SCCN(C)Cc2ccccc2)s1	829678130	ZZZKCJXIZXXVGE-UHFFFAOYSA-N	322.455	3.154	10	20	DGCD	
O=C(Nc1ccc(CCN2CCCC2)cc1)c1cc(O)cs1	732285068	PTJNWEZFFULKHQ-UHFFFAOYSA-N	316.426	3.344	10	20	DGCD	
C[C@H](CCCc1cccnc1)NCc1cc2c(cc1O)OCO2	839150783	NIGIDTPBIXEXID-CYBMUJFWSA-N	314.385	3.017	10	20	DGCD	
CN(C)c1ccc(CNC[C@@H](O)c2cccc(Cl)c2)cc1F	733325140	ABCJUBZBQPUADB-QGZVFWFLSA-N	322.811	3.368	10	20	DGCD	
CN(Cc1cnc(C2CC2)s1)c1ccc(OCC(=O)O)cc1	902016797	PMKHJSOVJSBMRA-UHFFFAOYSA-N	318.398	3.120	10	20	DGCD	
COc1ccc(N2CC[C@H](NC[C@@H](N)CCC(C)(C)C)C2)cc1	904376543	BCXOGKRXTIEEDJ-HOTGVXAUSA-N	319.493	3.017	10	20	DGCD	
CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1O	834911269	ISTCQEHNZMQGPP-DJSGYFEHSA-N	308.378	3.299	10	20	DGCD	
O=C(NCc1ccccc1O)Nc1ccc(OCC(F)F)cc1	748621694	BWIRRIISEKYVNF-UHFFFAOYSA-N	322.311	3.358	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC([C@H](C)N)CC2)cc1F	843052926	OZMYFQHVRAYYML-AWEZNQCLSA-N	307.457	3.231	10	20	DGCD	
O=C(/C=C\c1cccnc1)N1CCCc2c(F)cc(F)cc21	915158155	CBORUWRZKJFFIN-WAYWQWQTSA-N	300.308	3.352	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCC[C@H]1CCCN1	841073721	WOTSCJHVYNRRIU-LBPRGKRZSA-N	303.233	3.321	10	20	DGCD	
Nc1ccc(CCNC(=O)N[C@H]2CCCc3sccc32)cc1	841876262	AGDRKWLBYQGLEF-HNNXBMFYSA-N	315.442	3.250	10	20	DGCD	
COc1cccc([C@H](C)NCCN2Cc3ccccc3C2)c1O	846141944	OLAQYPHJBIIXOX-AWEZNQCLSA-N	312.413	3.067	10	20	DGCD	
O=C1CC[C@H](c2cccc(N[C@@H]3CCc4cccc(O)c43)c2)N1	840883059	CVTNVSCQQIWZOT-HZPDHXFCSA-N	308.381	3.443	10	20	DGCD	
C[C@@H](N[C@H](CCO)c1ccccc1F)c1cc(F)ccc1O	842922350	BNFVLKKGPBWXOO-BDJLRTHQSA-N	307.340	3.445	10	20	DGCD	
COc1cccc([C@H](C)NCCCC(=O)OC(C)(C)C)c1O	846148583	RCXPDRGZOAHYQT-LBPRGKRZSA-N	309.406	3.173	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](CCO)c2ccccc2F)c1O	846175146	XFEQSVWBKVQCOD-MLGOLLRUSA-N	319.376	3.314	10	20	DGCD	
CC(C)[C@H](NCc1c(O)ccc(Cl)c1F)c1cnn(C)c1	922896262	XCHZQRVZAONDGW-HNNXBMFYSA-N	311.788	3.405	10	20	DGCD	
CCc1cccc(CNCCc2ccc(OC)c(F)c2)c1O	848894668	GIGQSDOCGNEBKP-UHFFFAOYSA-N	303.377	3.435	10	20	DGCD	
CO[C@@H](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	749564373	YUQRAZAACDSBDI-HNNXBMFYSA-N	304.434	3.060	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)c1	756454362	MBLVPGBGKYUZDG-QXSJWSMHSA-N	320.477	3.418	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)Cc3cnc[nH]3)c2C)c1	855135467	MSNOIBMZMXHXPX-UHFFFAOYSA-N	322.412	3.398	10	20	DGCD	
CN(C)c1cc(F)c(CN[C@@](C)(CO)c2ccccc2)cc1F	858138641	GUULBOTZLDGVBL-SFHVURJKSA-N	320.383	3.028	10	20	DGCD	
COc1ccc(N(C)Cc2cn3cccc(C)c3n2)c(OC)c1	752108500	APZDHIDXUKKTGD-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
CCn1ncc(Cl)c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	857181119	ILSIHBCAGFVAFY-NSHDSACASA-N	320.824	3.113	10	20	DGCD	
COc1ccc(N2CCC(NC3CC(SC)C3)CC2)cc1	924906386	LCWYOGWLUKGUMK-UHFFFAOYSA-N	306.475	3.148	10	20	DGCD	
C[C@H]1C[C@@H](NCCC(=O)OC(C)(C)C)c2c(O)ccc(F)c21	756606986	LPTYKOQGTVYNRC-CMPLNLGQSA-N	309.381	3.401	10	20	DGCD	
COC1(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCCC1	754527385	MWFSVIMFPLSATC-UHFFFAOYSA-N	316.445	3.203	10	20	DGCD	
COc1ccc(N(C)CC(=O)NC2CCCCCCC2)cc1F	757853167	UWBPWHFWYFOOIA-UHFFFAOYSA-N	322.424	3.500	10	20	DGCD	
CC(C)[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	935465427	QURHKTZAWHSNHH-YXJHDRRASA-N	318.461	3.381	10	20	DGCD	
COc1cc(CN[C@]2(C)CCCOC2)c(O)c(C(C)(C)C)c1	850235649	AUWWLHGADURESS-GOSISDBHSA-N	307.434	3.357	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccnc2C2CC2)c1	752595979	KAQDFWOPEBATIZ-LLVKDONJSA-N	312.369	3.164	10	20	DGCD	
CCOc1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)c(O)c1	769537642	NQBAWICBCQPFKQ-MRXNPFEDSA-N	315.417	3.034	10	20	DGCD	
C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1cc(F)c(N(C)C)cc1F	862365076	LZHQJFNNZNGKFH-UKRRQHHQSA-N	323.431	3.089	10	20	DGCD	
COc1cc(Br)cc(CN2C3CCC2CC3)c1O	768226945	DFPUMMMOSIMTPB-UHFFFAOYSA-N	312.207	3.290	10	20	DGCD	
COc1cc(O)c(CN2CCCC(F)(F)CC2)cc1OC	862467077	OMIJCSCWQQZZJV-UHFFFAOYSA-N	301.333	3.031	10	20	DGCD	
CC[C@H]1C[C@@H](C)CN1Cc1ccc(N2CCOCC2)c(F)c1	769447617	HYJWUQNHMLUSJU-ZBFHGGJFSA-N	306.425	3.283	10	20	DGCD	
CCOc1ncccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773017659	URDKUPDLELVWMR-CYBMUJFWSA-N	313.401	3.037	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCC[C@H](C)C2)c1O	774972867	DKJZKVSJNQYGLJ-NWDGAFQWSA-N	308.378	3.225	10	20	DGCD	
COC(=O)c1cnc(S[C@@H](Cc2ccccc2)C(C)=O)s1	871674352	WGDSFVXFVCPQLI-LBPRGKRZSA-N	321.423	3.222	10	20	DGCD	
Nc1ccc(CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1	1120263949	XQQQGRFOGXLBSU-QGZVFWFLSA-N	310.397	3.377	10	20	DGCD	
CCN(C)c1ccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1	773753311	GBFCWPXENGMVAY-KRWDZBQOSA-N	318.461	3.449	10	20	DGCD	
CO[C@H](C)[C@@H](C)NCc1cc(Cl)cc(Br)c1O	883122743	YKGHINVSVPVUJI-HTQZYQBOSA-N	322.630	3.321	10	20	DGCD	
CCOc1cccc(CN[C@H](CCOC)Cc2ccco2)c1O	784624680	FUVHAASFBXIBTB-OAHLLOKOSA-N	319.401	3.121	10	20	DGCD	
COc1cc(C)cc(CN2CCCCC[C@H]2C[C@@H](C)O)c1O	894748840	XPNBCCMUQLZRHT-ZBFHGGJFSA-N	307.434	3.225	10	20	DGCD	
Cc1cc(O)c(CN(C)[C@H](c2ccccc2)c2nc[nH]n2)cc1C	894958961	GVQNMDGHZYDMNQ-GOSISDBHSA-N	322.412	3.349	10	20	DGCD	
CSc1ccc(CCNC(=O)NCc2ccccc2O)cc1	798096874	ITOGRJYAOAAIPK-UHFFFAOYSA-N	316.426	3.156	10	20	DGCD	
COC(=O)c1cccc(CNCc2ccc(N(C)C)cc2C)c1	795935837	RIDKFLLNNMTRGQ-UHFFFAOYSA-N	312.413	3.137	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC[C@H](F)C1	1329235456	FNLVNMCUKLKRCL-HOTGVXAUSA-N	319.424	3.367	10	20	DGCD	
COC(=O)CC(C)(C)N(C)Cc1ccc(N2CCCCC2)cc1	1341568299	UVMKSNCKOBCMMX-UHFFFAOYSA-N	318.461	3.450	10	20	DGCD	
Cc1cc(O)c(CNc2cnc(C(=O)O)c(Cl)c2)cc1C	1600286643	UGAXZEBBKFNQRX-UHFFFAOYSA-N	306.749	3.368	10	20	DGCD	
O=C(O)c1cnc(Sc2ncncc2-c2ccccc2)s1	1602534765	KQCWBPKEOLSSDP-UHFFFAOYSA-N	315.379	3.450	10	20	DGCD	
CN(C)c1ccc(CN2CCCC[C@H]2C2(CN)CCC2)cc1	1578425639	KHJIHDCAQUKSLO-SFHVURJKSA-N	301.478	3.236	10	20	DGCD	
C[C@@H](NC[C@H]1CC12CCSCC2)c1cc(C(=O)O)ccc1O	1593252042	MNLSEOIZVSQRDQ-DGCLKSJQSA-N	321.442	3.274	10	20	DGCD	
C[C@](NCc1ccc(N2CCCCC2)cc1)(C(=O)O)C1CC1	1776450140	OLYRJOOUGFSTCP-GOSISDBHSA-N	302.418	3.020	10	20	DGCD	
COc1cc(CN2CCC[C@@H](N(C)C)C2)c(O)c(C(C)(C)C)c1	164370476	RNPFRAIEPMFQSD-OAHLLOKOSA-N	320.477	3.224	10	20	DGCD	
CC[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1ccccc1O	155819792	CBMBCFAMFYKTFQ-OAHLLOKOSA-N	304.434	3.082	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)/C=C/c2cccc(F)c2)c1	157821927	OYVMKAMKKBGULV-UVMWJGKXSA-N	315.344	3.431	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1oc(C)nc1C	172712354	LTIMRSOLYNJHOJ-UHFFFAOYSA-N	301.390	3.020	10	20	DGCD	
CCN(Cc1c(F)cccc1F)C(=O)c1ccc(C)c(O)c1O	177678775	QMSJULSWDNPUFK-UHFFFAOYSA-N	321.323	3.347	10	20	DGCD	
COc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c(F)c1	103530397	HRGRCEZHXRLSOK-JTQLQIEISA-N	319.332	3.040	10	20	DGCD	
O=C1N[C@@H](c2ccc(O)c(O)c2)Nc2c1sc1ccccc21	172860843	MYDFKNHMPUGVAY-HNNXBMFYSA-N	312.350	3.167	10	20	DGCD	
C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1O	179877822	ZKLHYMDQEOGXBY-MAUKXSAKSA-N	324.424	3.234	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](c3ccccc3)C2)cc1	120054668	NTUASALZQPVRFI-GOSISDBHSA-N	323.440	3.452	10	20	DGCD	
Cc1cc(C(=O)OC[C@H]2CCCCO2)c(C)n1-c1ccccn1	171374786	WUGHMRHQHQQFOR-OAHLLOKOSA-N	314.385	3.215	10	20	DGCD	
COc1ccc(N(C)Cc2nnsc2Cl)cc1Cl	121896723	COXWVNLKJJHFCV-UHFFFAOYSA-N	304.202	3.490	10	20	DGCD	
C[C@H]1CN(c2ccccc2F)CCN1Cc1ccccc1O	188033041	WXWLNCYVUYFAQU-AWEZNQCLSA-N	300.377	3.242	10	20	DGCD	
CC(C)c1ncc(C(=O)NCc2ccc(N(C)C)cc2)s1	122740374	MSAQBLCZLMAWNT-UHFFFAOYSA-N	303.431	3.263	10	20	DGCD	
C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1	180586627	MIZUXGAPHCZFJQ-WONIAPNHSA-N	311.381	3.249	10	20	DGCD	
Cc1cccc(CNC(C)(C)c2cn(-c3ccccc3)nn2)c1O	182646973	JUJFLATXAKNPSO-UHFFFAOYSA-N	322.412	3.306	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H](CO)Cc2c[nH]c3ccccc23)c(O)c1	185464542	JCKJCBHTNUODRR-HOCLYGCPSA-N	324.424	3.436	10	20	DGCD	
C[C@H](N[C@@H](C)c1nnnn1C1CC1)c1ccc2ccccc2c1O	189146781	OVLFKEPSQDVXGK-RYUDHWBXSA-N	323.400	3.279	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCCO1	87204305	YLNUHGOHVVESDM-QGZVFWFLSA-N	304.434	3.060	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1	246718119	MMVRQVOTTVNWJA-TYNCELHUSA-N	306.406	3.025	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1CC=CC1	528145028	CZQOLZLRSLGNJU-UHFFFAOYSA-N	315.200	3.464	10	20	DGCD	
Oc1cccc(Cl)c1CNc1ccc(OC2COC2)cc1	275899800	ZHQSNSKQFXIBSV-UHFFFAOYSA-N	305.761	3.435	10	20	DGCD	
CC[C@@H](NC[C@H](O)c1cccc(OC)c1)c1ccc(F)cc1O	285987328	HYVXNGKZTYYXCL-AEFFLSMTSA-N	319.376	3.314	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2[C@H]3CCC[C@H]2CC3)c([N+](=O)[O-])c1	380588417	MYEPNSYATDEWIK-WRQQAGDVSA-N	302.330	3.214	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCO[C@@H](C(F)(F)F)C1	806141205	QHADYTIHOYDHAE-UKRRQHHQSA-N	316.367	3.261	10	20	DGCD	
CCc1nnc(N(C)Cc2ccc(N(CC)CC)cc2)n1CC	801875093	IREALDLTAAVMFU-UHFFFAOYSA-N	315.465	3.343	10	20	DGCD	
Cc1ccc(O)c(CN2CCCC[C@H]2COC(=O)NC(C)C)c1	809720685	KOWXZSYYHCQRRX-INIZCTEOSA-N	320.433	3.190	10	20	DGCD	
C[C@@H](NCc1ccc2c(c1)CCO2)[C@@H]1OCCc2sccc21	291680336	HPGZDZUANTUJAV-XIKOKIGWSA-N	315.438	3.475	10	20	DGCD	
C[C@H](NCc1ccc2c(c1)CCO2)[C@@H]1OCCc2sccc21	291680332	HPGZDZUANTUJAV-SGTLLEGYSA-N	315.438	3.475	10	20	DGCD	
Oc1cccc2c1[C@H](NC[C@@H]1COC3(CCCCC3)O1)CC2	296979576	RVVGHKSPBQBZEK-HUUCEWRRSA-N	303.402	3.045	10	20	DGCD	
CCCc1ccc(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1	819010049	YMDAJEBFRPIIJN-UHFFFAOYSA-N	324.380	3.314	10	20	DGCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCc3ccc(F)cc32)cc1	817938856	UOKSLRNVTCGJMM-RTBURBONSA-N	313.420	3.169	10	20	DGCD	
CCOC1CN(C(=O)c2sccc2-n2c(C)ccc2C)C1	819280136	VSAGELURPSDLJH-UHFFFAOYSA-N	304.415	3.017	10	20	DGCD	
CCN(C)c1ccc(CN2CCOc3cc(O)ccc3C2)cc1	815118277	USDPHQPJTAVTRE-UHFFFAOYSA-N	312.413	3.243	10	20	DGCD	
COCCN(Cc1ccc(N(C)C)c(C)c1)Cc1ccco1	815016195	ZEHVZSPRNSMSEQ-UHFFFAOYSA-N	302.418	3.303	10	20	DGCD	
C[C@H](NC[C@@H]1CCCNC1)c1ccc(N2CCCCC2)cc1	817946473	XYSLWWIVSZKJLV-DLBZAZTESA-N	301.478	3.327	10	20	DGCD	
CCN(CC)c1ccc(CN2C[C@@H](C(=O)O)C[C@@H](C)C2)cc1F	817881545	KQZGRSQFTRLTCL-HIFRSBDPSA-N	322.424	3.215	10	20	DGCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1csc2ccccc12	728700228	ZPONXTGJQWELRJ-GDNBJRDFSA-N	320.373	3.363	10	20	DGCD	
Cc1cc(O)c(CNC[C@@H](CO)c2ccc(F)cc2)cc1Cl	826121258	OCFIMDAWVVLMRI-AWEZNQCLSA-N	323.795	3.359	10	20	DGCD	
CN(Cc1cccs1)c1ccc(CNCC(C)(C)CO)cc1	824031830	BDEOIBGFCZMCDR-UHFFFAOYSA-N	318.486	3.493	10	20	DGCD	
C[C@@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)c1ccccc1O	827947025	YMFABPCRPNGCKI-PBHICJAKSA-N	312.413	3.262	10	20	DGCD	
C[C@H](NC(=O)C1(C)CCC(=O)CC1)c1ccc(N(C)C)cc1	829818014	TZHMPWHAZAVUKU-ZDUSSCGKSA-N	302.418	3.079	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(Cl)nc1	734516598	DQKURRUSZKVFDI-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
CCS[C@@H]1CC[C@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)C1	588405672	HLIWZMDKTPQLOF-VMZLMLEMSA-N	321.442	3.244	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(F)c(F)c(F)c1	588407353	ZXRSDCRQSZCWND-RQOWECAXSA-N	309.243	3.167	10	20	DGCD	
CCC(C)(C)OCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839921191	BCMKNSBODAPMQK-HNNXBMFYSA-N	320.477	3.313	10	20	DGCD	
COc1cccc([C@@H](C)NCCOc2ncccc2Cl)c1O	846153488	IUJHCLOXGSRYEE-LLVKDONJSA-N	322.792	3.179	10	20	DGCD	
C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccco1	840763883	ZUMXVMGYDANNTM-LBPRGKRZSA-N	322.355	3.245	10	20	DGCD	
CC(C)(C)CN(CC(C)(C)C)C(=O)C(=O)Nc1ccc(N)cc1	841109024	INTMRGPWSSQGEW-UHFFFAOYSA-N	319.449	3.128	10	20	DGCD	
Cc1cc(C(=O)N(C)Cc2ccoc2)c(C)n1-c1ccccn1	918391543	ARTDZVUTVHTNKF-UHFFFAOYSA-N	309.369	3.354	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCc2cc[nH]n2)c1	749577753	XFWZOMUMUKJPLN-UHFFFAOYSA-N	308.385	3.056	10	20	DGCD	
CC[C@](C)(O)CNC(=O)c1sccc1-n1c(C)ccc1C	743760544	OANGTVVCAAOKDX-INIZCTEOSA-N	306.431	3.046	10	20	DGCD	
C[S@@](=O)c1ccc(CNCc2cc(Cl)ccc2O)cc1	751150962	CPTAZWOESRGLOO-HXUWFJFHSA-N	309.818	3.073	10	20	DGCD	
CCN(C)c1ccc(CN2CCC3(CCCC3=O)CC2)cc1	852631450	SIMLHBBXLBYBTA-UHFFFAOYSA-N	300.446	3.478	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2csc(N(C)C)n2)c(O)c1C	756638867	WEQMFQZRJBOWIT-GFCCVEGCSA-N	305.447	3.382	10	20	DGCD	
C[C@@H]1C[C@@H](NCCOc2cccnc2)c2c(O)ccc(F)c21	756570949	GWJSSXYAOHXGCL-BXUZGUMPSA-N	302.349	3.143	10	20	DGCD	
C[C@@H](NC(=O)N1C[C@H]2CC=CC[C@H]2C1)c1ccc(N(C)C)cc1	868515938	XGMHWMKTUPRYMI-OIISXLGYSA-N	313.445	3.421	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H]2CC[C@H](C(=O)O)CC2)cc1	864525539	DMJWURDSYMYVAU-WKILWMFISA-N	304.434	3.266	10	20	DGCD	
CN(C)c1ccc(CN2CCOC[C@H]2c2ccccc2)cc1F	769503816	NIPWXTBLGRAMBS-IBGZPJMESA-N	314.404	3.465	10	20	DGCD	
CN(CC(=O)N1CCCC1)Cc1cc(-c2ccccc2)ccc1O	768214458	ABVZTVKCOAJNIR-UHFFFAOYSA-N	324.424	3.113	10	20	DGCD	
COc1cc(CN2CCOC[C@@H]2c2ccccc2)c(O)cc1C	768466514	QYZDHGSBEKJSTK-QGZVFWFLSA-N	313.397	3.283	10	20	DGCD	
CN(Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCCCNC1=O	769200758	CNPDLXIUSWZLHS-GOSISDBHSA-N	324.424	3.160	10	20	DGCD	
C[C@@H](NCc1ccon1)c1ccc(N2CCOCC2)cc1Cl	766420114	IUNJHTHMRVWRKP-GFCCVEGCSA-N	321.808	3.015	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1F	779188241	IWPWAOLDDVNKGL-INIZCTEOSA-N	306.425	3.283	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N[C@H](c1cc(Cl)cc(F)c1O)N2	877861978	RLASIECMPMZBCY-CQSZACIVSA-N	306.724	3.347	10	20	DGCD	
CCN(Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)cc1	775638927	QGRXJWJAFBEADY-UHFFFAOYSA-N	323.484	3.461	10	20	DGCD	
CC(C)c1nn(C)c(Cl)c1C(=O)N(C)c1ccc(N)cc1	877077931	WRLDYYGAHCTORH-UHFFFAOYSA-N	306.797	3.056	10	20	DGCD	
C[C@@H]1CCC[C@@H]1CNCc1ccc(N2CCC(O)CC2)cc1	877501193	MPZGSZZWERLCGF-NVXWUHKLSA-N	302.462	3.174	10	20	DGCD	
Cc1cccc(O)c1CNC[C@]1(O)CCC[C@H](C(F)(F)F)C1	877460264	RZOICYULMLINGS-WFASDCNBSA-N	317.351	3.274	10	20	DGCD	
C[C@@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1ccccc1O	879648029	WFZCLIXRWVWLAS-ZIAGYGMSSA-N	310.397	3.021	10	20	DGCD	
C[C@@H](NCc1nc2ccccc2n1C)c1ccc(N(C)C)cc1	775365155	VCCXEIRYYIWFFY-CQSZACIVSA-N	308.429	3.490	10	20	DGCD	
C[C@H](NC[C@@H]1CCCCN1C1CC1)c1ccc(N(C)C)cc1	774378367	LINGGLIVGLNXNT-KXBFYZLASA-N	301.478	3.420	10	20	DGCD	
Cc1cccc(C)c1CN(C)C(=O)NCCc1ccc(N)cc1	1120629578	HDRROSMWJKHSCC-UHFFFAOYSA-N	311.429	3.270	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1cscc1C	787243958	UOAVVYINUYPASU-UHFFFAOYSA-N	317.458	3.430	10	20	DGCD	
CCOCCNCc1ccc2c(c1)CCN2Cc1ccccc1	796266185	NXUMWXRBGQZAJY-UHFFFAOYSA-N	310.441	3.375	10	20	DGCD	
CCOC(=O)C1(CNCc2cc(C)c(C)cc2O)CCCC1	792196509	UUKRSGSQQOZMMU-UHFFFAOYSA-N	305.418	3.222	10	20	DGCD	
CC[C@H](N[C@@H](CO)c1ccccc1OC)c1ccc(C)cc1O	794812507	WSDYQUULWQFEKZ-IRXDYDNUSA-N	315.413	3.484	10	20	DGCD	
C[C@@H]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1C	797763327	RKJYIEZLLHQVPG-BSUNCPLPSA-N	303.402	3.300	10	20	DGCD	
CN(CCC(=O)N1CCCc2ccccc21)Cc1ccccc1O	794561969	XANKAGVDNIEABY-UHFFFAOYSA-N	324.424	3.194	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC[C@@H](OC)C2)c1	793688681	GUFLEXBLPRYZKO-MELADBBJSA-N	321.417	3.173	10	20	DGCD	
COC(=O)c1cccc2nc(NCc3ccc(N(C)C)cc3)[nH]c12	795800565	DRJSLPMNDDQHOB-UHFFFAOYSA-N	324.384	3.028	10	20	DGCD	
OC[C@@H](NCc1c(O)ccc(Cl)c1F)C1CCCCC1	790970502	JXKSUFFABZWKOA-CYBMUJFWSA-N	301.789	3.216	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1cnc2ccccc2c1	798638580	UIMHUNLEWGQXAM-SOFGYWHQSA-N	321.332	3.403	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCCNc1ncccn1	1320411711	RQBACTSIELEGHL-ZIAGYGMSSA-N	312.417	3.131	10	20	DGCD	
CCn1nc(C(C)C)cc1C(=O)NCc1cc(Cl)ccc1O	1326563967	GRZPVASRMHJCJS-UHFFFAOYSA-N	321.808	3.315	10	20	DGCD	
COC[C@@H]1CCCN(Cc2c(O)cccc2Br)C1	707147013	RUYURMBDRVLICL-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
CC[C@@H]1CN(Cc2c(O)cccc2Br)CCCO1	707145854	JDWOBVOGPCFNKE-LLVKDONJSA-N	314.223	3.156	10	20	DGCD	
Cc1ccc(C(=O)N(C)c2cccc3c2CCCN3)c(O)c1O	1338984444	PWEAYUMMHBCAOS-UHFFFAOYSA-N	312.369	3.041	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNCCCO[C@@H]1CCCCO1	1332336889	ZWMIUNGUFAKDBU-LJQANCHMSA-N	318.461	3.310	10	20	DGCD	
CN(C)c1cc(F)c(CNCc2ccc(C(=O)O)cc2)cc1F	1606049539	ACAYCWOUFZPDEG-UHFFFAOYSA-N	320.339	3.019	10	20	DGCD	
COc1cc(CN[C@H]2CC[C@@H](C(=O)O)C2)c(O)c(C(C)(C)C)c1	1599417257	SKZRCBLWGBZUAB-YPMHNXCESA-N	321.417	3.041	10	20	DGCD	
CC[C@H](C)C[C@H](NCc1cc(Cl)cc(OC)c1O)C(=O)O	1594954323	XUQHDADMHXJFKP-CABZTGNLSA-N	315.797	3.033	10	20	DGCD	
CCN1CCc2cc(CNC[C@@H](CC(=O)O)C(C)(C)C)ccc21	1776877466	LUNQYKPZDIJSIH-MRXNPFEDSA-N	318.461	3.296	10	20	DGCD	
COc1ccc(N(Cc2ccco2)Cc2nnc(C)o2)cc1F	150862885	VOMQVSOGAQBHHR-UHFFFAOYSA-N	317.320	3.326	10	20	DGCD	
Oc1ccc(Br)cc1CN[C@H]1CCCSC1	165244239	HOFWGDUXBKZYHO-NSHDSACASA-N	302.237	3.140	10	20	DGCD	
COc1ccc(N(CCOC[C@@H]2CCCO2)C(C)C)cc1F	152231208	WTTHGOLGQCAATQ-HNNXBMFYSA-N	311.397	3.245	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCC1(O)CCCCC1	102426081	KAORTONFMUMXJX-UHFFFAOYSA-N	304.217	3.484	10	20	DGCD	
C[C@@H]1C[C@@H](CNCc2cc(Br)ccc2O)CCO1	271461863	JXFYGUGXIGMMHU-MNOVXSKESA-N	314.223	3.059	10	20	DGCD	
Nc1ccc(CC(=O)Nc2ccc(Br)cc2F)cc1	19280576	FWKIEOICRPJHKV-UHFFFAOYSA-N	323.165	3.352	10	20	DGCD	
Cc1ccc(C)c(OCC(=O)NCc2ccc(N(C)C)cc2)c1	24378383	VAHVMBSKGHPQJE-UHFFFAOYSA-N	312.413	3.065	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)Nc2cc(C)on2)cc1	56330297	KMBKIBAKTZPPCE-UHFFFAOYSA-N	302.378	3.151	10	20	DGCD	
CCCN(CCC(=O)NC1CCCC1)Cc1ccccc1O	68973533	VWDVPKWATCDZDB-UHFFFAOYSA-N	304.434	3.053	10	20	DGCD	
CCCOc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c(O)c1	93585847	UEOLBHNXZRYZMN-VQIMIIECSA-N	319.445	3.308	10	20	DGCD	
CC1(C)CCC(CC(=O)NCCc2ccc(O)c(O)c2)CC1	122208669	OVHHESNLXVMDTI-UHFFFAOYSA-N	305.418	3.363	10	20	DGCD	
Cc1cc(F)c(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1F	125721161	WQNCVHVEYFZUEH-UHFFFAOYSA-N	322.330	3.408	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1O	152794449	VWXZSFORUWKEPP-WBMJQRKESA-N	323.820	3.249	10	20	DGCD	
CCN(Cc1ccccc1)c1ccc(CN2CC[C@H](O)C2)cc1	157635657	NGYNXJYKWXSSTF-FQEVSTJZSA-N	310.441	3.280	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H](C)c2cnccn2)cc1F	158706331	TYCAEQFKDMCOLA-ZDUSSCGKSA-N	302.397	3.313	10	20	DGCD	
CN(C)c1ccc([C@H]2NC(=O)c3c(Cl)cccc3N2)cc1	172863726	OVBNHNLPWDOVOH-OAHLLOKOSA-N	301.777	3.260	10	20	DGCD	
CC(C)C1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	175625554	DAXLJKDVTPOKRQ-UHFFFAOYSA-N	313.445	3.298	10	20	DGCD	
Cc1ccc(N2CC[C@H](N[C@@H](C)c3ccccc3O)C2=O)cc1	179875679	UMNDPUDODBTSCB-YOEHRIQHSA-N	310.397	3.157	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCCOCC2)cc1	180165414	DFVGPCCJQKDYIN-QGZVFWFLSA-N	312.413	3.393	10	20	DGCD	
C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1cccs1	181124090	WUFUYOHHJLUMAK-PZBABLGHSA-N	317.410	3.168	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCCOc2ccc(C#N)cc2)c1	182408911	VKQQRSOSCRBFHJ-ZDUSSCGKSA-N	312.369	3.002	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cnn(-c3ccccc3)c2)c1	182461751	QWSLVNXSXDNNKA-AWEZNQCLSA-N	323.396	3.437	10	20	DGCD	
CCOc1ccc(O)c(CN(C)C[C@H](C)c2nccs2)c1	183253838	IQWPHGNFWVDPHS-LBPRGKRZSA-N	306.431	3.483	10	20	DGCD	
C[C@@H](NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1O	185291200	WBLVVMCCNQXLQP-SNVBAGLBSA-N	320.330	3.209	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](CCO)c2ccccc2)c1	185525421	XFOMPDLSWNJUES-GDBMZVCRSA-N	315.413	3.218	10	20	DGCD	
C[C@H](NCCNC(=O)CC1CCCCC1)c1cc(F)ccc1O	186033326	GSWBSCGKOGLIHC-ZDUSSCGKSA-N	322.424	3.269	10	20	DGCD	
CN(C)c1ccc(CN2CCSC[C@H]2c2nccs2)cc1	186648847	QXQFBPOMFUWWBI-HNNXBMFYSA-N	319.499	3.499	10	20	DGCD	
C[C@](O)(CCNCc1cccc(Cl)c1O)c1ccccc1	190275856	UTNJTWDIXIZTEK-KRWDZBQOSA-N	305.805	3.433	10	20	DGCD	
CC(C)N1CC[C@@H](NCc2cc(-c3ccccc3)ccc2O)C1=O	265262478	ZJYIAFKTOBBTCW-GOSISDBHSA-N	324.424	3.158	10	20	DGCD	
C[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(N(C)C)cc1	271924614	FYRLNIQKCPESTR-AWEZNQCLSA-N	324.428	3.455	10	20	DGCD	
O=C(NCc1ccccc1O)C1(c2ccc(F)cc2F)CCC1	271946114	AEXNWRQTBVKDHU-UHFFFAOYSA-N	317.335	3.409	10	20	DGCD	
C[C@@H](NCC(C)(C)N(C)C)c1cc(Br)ccc1O	273306023	CTILWWTVYVPHIK-SNVBAGLBSA-N	315.255	3.146	10	20	DGCD	
CCc1cnc(CN[C@@H](C)c2cc(C(=O)OC)ccc2O)s1	273588335	OKQRGDYPLNTJEJ-JTQLQIEISA-N	320.414	3.049	10	20	DGCD	
C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)ccc(O)c1O	276636170	WZQMPKNMNKRXNC-WCQYABFASA-N	315.344	3.255	10	20	DGCD	
CO[C@@H]1CCC[C@@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1	280252364	LVSXESWHSDAXMU-SJLPKXTDSA-N	318.461	3.306	10	20	DGCD	
COC[C@@]1(C)CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1	294325161	XEEXCLRFASPCRC-INIZCTEOSA-N	311.809	3.107	10	20	DGCD	
C[C@@H]1C[C@@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	298895671	WMSWETUFWYXVHJ-UKRRQHHQSA-N	301.434	3.083	10	20	DGCD	
CCOc1cccc(CN(CCCN)Cc2ccccc2)c1O	303985627	HTPMKAUNGFEQNJ-UHFFFAOYSA-N	314.429	3.142	10	20	DGCD	
Cc1c(CNc2ccc(C(=O)N(C)C)cn2)n(C)c2ccccc12	359849256	UAFXOFWXLRCJSW-UHFFFAOYSA-N	322.412	3.196	10	20	DGCD	
CC[C@@H](N[C@@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1O	367567671	UZJORKSKAPNKGF-BXUZGUMPSA-N	305.809	3.367	10	20	DGCD	
CCOc1cccc(CNC[C@@]2(C)CCO[C@@H]2C2CC2)c1O	375121015	NBRBFIZCCMVNRR-QZTJIDSGSA-N	305.418	3.086	10	20	DGCD	
COc1ccc(N(CCn2ccccc2=O)CC(C)C)cc1	726185083	HMBAQLIMCTUZNY-UHFFFAOYSA-N	300.402	3.020	10	20	DGCD	
CCN(Cc1c(O)ccc2ccc(OC)cc12)C[C@H]1CCOC1	738081024	JJCHOFIGKYBYPJ-CQSZACIVSA-N	315.413	3.412	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCn2cccc2)cc1	747992792	XICZSSNPECYRSY-UHFFFAOYSA-N	307.397	3.326	10	20	DGCD	
CCOc1cccc(CNC2(CC(=O)OC)CCCCC2)c1O	756132418	NRXLVZGEMUSEDW-UHFFFAOYSA-N	321.417	3.147	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc2c(c1)CCC2	759589796	SZGJIVCVMQHYCN-RMKNXTFCSA-N	310.349	3.343	10	20	DGCD	
CC(C)Oc1ccc(N(C)CC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1	759933014	HQNBZSAULNOQJT-IYBDPMFKSA-N	318.461	3.415	10	20	DGCD	
CC[C@@H](N[C@@H](C)CN1CCCC1=O)c1cc(Cl)ccc1O	775491293	HQHFFXBCJOBNRS-SMDDNHRTSA-N	310.825	3.097	10	20	DGCD	
Cc1nccn1C[C@@H](C)CNCc1cc(Cl)cc(F)c1O	775905161	HXDZERJLUNULSZ-JTQLQIEISA-N	311.788	3.116	10	20	DGCD	
CC[C@@H](C)n1nc(NCc2cc([N+](=O)[O-])ccc2O)cc1C	776257693	NEOHMHOVGDULBK-SNVBAGLBSA-N	304.350	3.388	10	20	DGCD	
CCOCc1cc(CN[C@H](C)[C@H]2CCCOC2)ccc1OC	779989116	UQCQPEDCONFWBE-ZBFHGGJFSA-N	307.434	3.136	10	20	DGCD	
C[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1ncn(C)n1	780562660	HUMODIUIBSHCHA-CYBMUJFWSA-N	308.385	3.039	10	20	DGCD	
Cc1ccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)c(O)c1O	780958241	CPLJHKWESAKWCV-UHFFFAOYSA-N	315.373	3.429	10	20	DGCD	
COc1cccc(CN[C@H](C(C)C)[C@H](O)c2ccccc2)c1O	788538476	MYRRTXIDIXTQMI-IEBWSBKVSA-N	315.413	3.249	10	20	DGCD	
C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C2CC2)O1	794652144	IEPWUUZXDXWZRQ-YVEFUNNKSA-N	319.445	3.395	10	20	DGCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CCO)Cc2ccccc2)c1	799732430	YOETUJGNJQBMAD-ZBFHGGJFSA-N	315.413	3.045	10	20	DGCD	
COc1cccc(CN2CCOc3cc(N(C)C)ccc32)c1F	800520695	NDJDKBVVDHWZTM-UHFFFAOYSA-N	316.376	3.299	10	20	DGCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCS1	807839896	UDFSEDYTEGAXGG-JTQLQIEISA-N	306.214	3.211	10	20	DGCD	
Cn1cnnc1[C@@H]1CCCN1Cc1ccc2ccccc2c1O	816517467	QQIYJLFFMMZLKC-INIZCTEOSA-N	308.385	3.011	10	20	DGCD	
Nc1ccc(Cc2nc(C(=O)NC3CCCCC3)cs2)cc1	817903201	JZWSRANZRPXYGC-UHFFFAOYSA-N	315.442	3.379	10	20	DGCD	
CCN(C)c1ccc([C@@H](C)N[C@H]2CCNC3(CCC3)C2)cc1	817987413	YTVRVDFYVKRYJK-WBVHZDCISA-N	301.478	3.468	10	20	DGCD	
C[C@H](N[C@@H]1CC[C@H]2CNC[C@H]2C1)c1cc2c(cc1O)CCCC2	817987536	UCMQDCTWTFDFDN-VIBAHUMZSA-N	314.473	3.310	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)CCC(C)(C)C)C2)cc1	819584943	VCFDQRGSBYDXEH-HNNXBMFYSA-N	318.461	3.464	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)C3=C(C)CCC3)C2)cc1	819586451	QEDAAEAFGYZIMX-OAHLLOKOSA-N	314.429	3.138	10	20	DGCD	
Cc1cc(O)c(CNCCCOC[C@H]2CCCO2)cc1Cl	825065091	RUNGFYKFICBRBT-CQSZACIVSA-N	313.825	3.029	10	20	DGCD	
CCOCc1cc(CN[C@H]2C[C@H](OC)C23CCC3)ccc1OC	839183067	STBSOPXVTOGEOV-ROUUACIJSA-N	319.445	3.279	10	20	DGCD	
COc1cccc([C@@H](C)NC[C@@](C)(O)c2ccc(F)cc2)c1O	846156234	CVBFDYJXEMLEHF-KZULUSFZSA-N	319.376	3.098	10	20	DGCD	
CCc1cccc(CNCCc2ccc(OC)c(OC)c2)c1O	848891651	WPOHFJYFVZBHEE-UHFFFAOYSA-N	315.413	3.304	10	20	DGCD	
COc1cc(CNC[C@@H]2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1	850295496	WKLQROJFJHHODY-KGLIPLIRSA-N	321.461	3.461	10	20	DGCD	
C[C@@H](NCC1(O)CCC(C)(C)CC1)c1cc([N+](=O)[O-])ccc1O	850552586	OBRPIAVYIGRVRF-GFCCVEGCSA-N	322.405	3.282	10	20	DGCD	
C[C@H](NCC1(O)CCC(C)(C)CC1)c1cc([N+](=O)[O-])ccc1O	850552588	OBRPIAVYIGRVRF-LBPRGKRZSA-N	322.405	3.282	10	20	DGCD	
CO[C@@H]1CCCC[C@H]1NCc1c(O)cccc1Br	858184824	PPKTVISFDORHSL-TZMCWYRMSA-N	314.223	3.202	10	20	DGCD	
C[C@@H](NC(=O)NCCC[C@H]1CCCCO1)c1ccccc1O	868501261	HDGRTJAYSSAPAU-ZIAGYGMSSA-N	306.406	3.102	10	20	DGCD	
CCN(Cc1ccc(N2CCC(O)CC2)cc1)CC(F)(F)F	876612835	YRNWMKWIUOUDOE-UHFFFAOYSA-N	316.367	3.032	10	20	DGCD	
CC(C)N1CCC(CCNCc2cc(F)cc(F)c2O)CC1	883195517	WEQQIVRAIBKWBM-UHFFFAOYSA-N	312.404	3.271	10	20	DGCD	
COc1cc(C)cc(CNCCCc2ccc(O)cc2)c1O	894259555	WSIRYAZDHUDWHJ-UHFFFAOYSA-N	301.386	3.137	10	20	DGCD	
COc1ccc(CN[C@@H](c2ccncc2)C2CC2)c(O)c1OC	898317519	ITEHUPLFQUQBGA-MRXNPFEDSA-N	314.385	3.045	10	20	DGCD	
C[C@@H](NC(=O)N[C@H](c1ccncc1)C1CC1)c1ccccc1O	898997508	BVARQHAFQVFYNS-PXAZEXFGSA-N	311.385	3.299	10	20	DGCD	
C[C@@H](CCc1ccccc1F)C(=O)NCc1ccc(O)cc1O	910950509	GLLHWUONXIZXIN-LBPRGKRZSA-N	317.360	3.122	10	20	DGCD	
COc1ccc(OC)c(CNCc2ccc3c(c2)CCCO3)c1	921502066	KCBYEQBYGXWUGW-UHFFFAOYSA-N	313.397	3.319	10	20	DGCD	
COc1cc(CN[C@@H]2CCO[C@H]2C2CC2)c(O)c(C(C)(C)C)c1	922515661	YUNOXCKPCMCGBF-AEFFLSMTSA-N	319.445	3.355	10	20	DGCD	
CCc1ncc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1	929970752	KUUYIFGZUXJQDJ-OAHLLOKOSA-N	316.401	3.124	10	20	DGCD	
CC[C@H](C)CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089828571	BGRXQHPWHHABEI-AWEZNQCLSA-N	319.424	3.300	10	20	DGCD	
Cc1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C2CC2)n1	1116897703	PTLUNLKYQXSCKW-GFCCVEGCSA-N	324.428	3.219	10	20	DGCD	
COc1ccc(CNCCCNC(=O)C(C)=C2CCC2)cc1C	1157699044	MZDHYABPOBVBFT-UHFFFAOYSA-N	316.445	3.100	10	20	DGCD	
C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1F	1252113625	MTDZFRICJFIOMS-LBPRGKRZSA-N	318.367	3.451	10	20	DGCD	
C[C@H](NCCC(=O)N1CCC[C@@H](C)C1)c1cc(Cl)ccc1O	1325355580	CWMBVLBAEFBAFV-OLZOCXBDSA-N	324.852	3.345	10	20	DGCD	
COC[C@H](NCc1cc(C)cc(OC)c1O)c1ccccc1	1353585547	YBCHGDWXSGKBSL-INIZCTEOSA-N	301.386	3.187	10	20	DGCD	
CC(C)(C)OC(=O)[C@H](Sc1ncc(C(=O)O)s1)C1CC1	1589844043	LGKFTKXMZJBIIO-SECBINFHSA-N	315.416	3.054	10	20	DGCD	
Cc1cc(O)c(CN[C@H](C(=O)O)c2ccccc2F)cc1C	1600285873	HYXZGYFVMRCMAF-INIZCTEOSA-N	303.333	3.064	10	20	DGCD	
Cc1cc(O)c(CNCc2ccccc2CC(=O)O)c(Cl)c1	1607698710	DSMVRKGWZYGTRA-UHFFFAOYSA-N	319.788	3.271	10	20	DGCD	
COc1ccc(CNC[C@H](C)NC(=O)C(C)=C2CCC2)cc1C	1754266506	WUHRUTNEPVUAKI-AWEZNQCLSA-N	316.445	3.098	10	20	DGCD	
CCN(CC)C(=O)CSc1ncc(-c2ccccc2)n1C	420663	XKQQXUADKOJQMB-UHFFFAOYSA-N	303.431	3.048	10	20	DGCD	
Cc1nc(C)c(C(=O)NCCCSc2nccs2)s1	74136289	FBGZSAWLYXLCGI-UHFFFAOYSA-N	313.473	3.129	10	20	DGCD	
CC[C@H]1CCC[C@H](NC(=O)NCc2cccc(OC)c2O)C1	74416086	BDSHPYJJQOLSOS-JSGCOSHPSA-N	306.406	3.169	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CCCC[C@@H]1O	77204229	VYPMTIGARYDXNA-RNCFNFMXSA-N	304.217	3.340	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2F)c1	114512431	ZRJXCYDXFAMJAJ-UHFFFAOYSA-N	308.284	3.001	10	20	DGCD	
Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)c(C)n1-c1ccccc1	118712370	XJJMXQOVEKUSMM-IRXDYDNUSA-N	324.424	3.222	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cccnc1C(F)(F)F	119196115	CUCNSJOSZBATIH-UHFFFAOYSA-N	310.275	3.078	10	20	DGCD	
CN(Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCCCO1	125348956	LUKGXISHJMNEBN-HNNXBMFYSA-N	307.434	3.396	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)NCC3CC3)cc2)CC1	170994467	ISZZUELPLYRIKN-UHFFFAOYSA-N	301.434	3.132	10	20	DGCD	
C[C@H]1CC[C@@H](CCC(=O)NCCCSc2nccs2)O1	173561533	JGCKMVVMSXJLHM-RYUDHWBXSA-N	314.476	3.089	10	20	DGCD	
CC(=O)NCCCN[C@H](C)c1ccc(N2CCCCCC2)cc1	178515163	UMGQNVWSJDWUBF-MRXNPFEDSA-N	317.477	3.244	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCc2cc(F)ccc21	180701179	VLCVBQREUCCNPK-FTPZRKARSA-N	313.328	3.054	10	20	DGCD	
Cc1ccc(C[C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)s1	180799353	HVKCYHHRFSTIFN-AYLMVEPYSA-N	317.410	3.228	10	20	DGCD	
CNC(=O)c1ccc(COc2ccc(N3CCCC3)cc2)cc1	187837404	KSQJMZFGTUBQHN-UHFFFAOYSA-N	310.397	3.225	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@@H]1CCO[C@H]1c1ccccc1	192037499	MXPHMPYPEZHEAS-KSSFIOAISA-N	301.361	3.399	10	20	DGCD	
Cc1ccc(O)c([C@H](C)NC[C@H](C)NC(=O)OC(C)(C)C)c1	192684051	GJDQTORADVOZTP-STQMWFEESA-N	308.422	3.264	10	20	DGCD	
Oc1ccccc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1	238110902	YNMRSSLOKQVXLS-LJQANCHMSA-N	311.381	3.404	10	20	DGCD	
C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1	264340009	WEZXDMDZPWSXMW-RHSMWYFYSA-N	301.434	3.275	10	20	DGCD	
OCC[C@H](CNCc1c(O)cccc1Cl)c1ccccc1	265867712	LOEMQLZYYIZIOS-CQSZACIVSA-N	305.805	3.301	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CC)CCOCC1	272275117	CXQPELCSHVJGRH-UHFFFAOYSA-N	318.461	3.308	10	20	DGCD	
Oc1c(Cl)cccc1CNC[C@@H](O)CCc1ccccc1	273226116	WEMVXVJUSYPRMX-HNNXBMFYSA-N	305.805	3.129	10	20	DGCD	
CCc1noc(CC)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273604012	SODYCJPMUAYXSF-JTQLQIEISA-N	319.361	3.264	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2c[nH]nc2C2CC2)C2CC2)cc1	276395385	CJLFALTXOWOAQN-UHFFFAOYSA-N	324.428	3.158	10	20	DGCD	
CC(C)C(C)(C)C(=O)NCc1cccc(Br)c1O	277427239	DKEAJYBCFIEHPN-UHFFFAOYSA-N	314.223	3.453	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCc3ccccc32)c1O	278932834	WPIYBRUGVSCDGG-CQSZACIVSA-N	314.341	3.086	10	20	DGCD	
CCOc1cccc(CNC[C@H](O)c2cc(C)cc(C)c2)c1O	282928252	HWKCURICFNKDCN-KRWDZBQOSA-N	315.413	3.231	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)N[C@@H](COC)C1CC1	283648967	OCNQABQLIQBOOH-INIZCTEOSA-N	320.433	3.129	10	20	DGCD	
CC1(C)CC[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	296298585	FYMKCPGKASACPT-OAHLLOKOSA-N	320.452	3.455	10	20	DGCD	
C[C@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	302991441	MNQWOFWXAOPCDP-JSGCOSHPSA-N	307.413	3.270	10	20	DGCD	
COC1(CCNCc2cccc(Br)c2O)CCC1	311107851	VVUODAWRVDDVFP-UHFFFAOYSA-N	314.223	3.204	10	20	DGCD	
COc1ccc(N2CCC(NC[C@H](O)CC(C)(C)C)CC2)cc1	364460138	TVQCVMCMYANCGL-QGZVFWFLSA-N	320.477	3.051	10	20	DGCD	
CC(C)(C)n1nccc1NC(=O)c1ccc(C2=S=CC=C2)o1	544021195	KRFFHIDPEZJHLX-UHFFFAOYSA-N	315.398	3.109	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@H](C)CC1	578873290	QFSBJQOJASXPII-HDJSIYSDSA-N	302.418	3.304	10	20	DGCD	
CC(C)(CNC(=O)NCc1ccccc1O)c1ccc(F)cc1	728747964	QKURPGRTBGRWKO-UHFFFAOYSA-N	316.376	3.308	10	20	DGCD	
CCOc1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O	729280978	YGHDNLNHGPYREE-LBPRGKRZSA-N	315.369	3.291	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)C2CC2)cc1F	731364893	RPSSAQYRYSEQDT-GFCCVEGCSA-N	307.413	3.270	10	20	DGCD	
CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)Cc1ccccc1O	731843842	YVBWQPVYNJWWJL-GOEBONIOSA-N	304.434	3.004	10	20	DGCD	
Cc1cc(OC(F)F)c(C(=O)NCc2ccccc2O)s1	734015579	NJWHDDWXJMCSOS-UHFFFAOYSA-N	313.325	3.294	10	20	DGCD	
COc1ccc(O)c(CNC(=O)c2cnc(C(C)(C)C)s2)c1	734018887	LQVXFTPLDPFMCM-UHFFFAOYSA-N	320.414	3.085	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1cccs1	734405102	CAASAGYXQFYRBD-UHFFFAOYSA-N	302.443	3.372	10	20	DGCD	
CC(C)(O)CCN1CCCc2cc(OC(F)(F)F)ccc21	746503494	SKWIGDSRSRLRBA-UHFFFAOYSA-N	303.324	3.499	10	20	DGCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1O	750530037	BWSCTGWYZKQBII-UHFFFAOYSA-N	314.360	3.062	10	20	DGCD	
Cc1ccc(C)c(NC(=S)NCc2cccc(N(C)C)n2)c1	754691163	GZUCCUHUSCQCEU-UHFFFAOYSA-N	314.458	3.251	10	20	DGCD	
CC(C)N(CCN[C@H](C)c1cc(F)cc(F)c1O)C(C)C	756369617	CRZZVZMKGRFYBL-GFCCVEGCSA-N	300.393	3.440	10	20	DGCD	
CCCC(O)(CCC)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756592273	GWEMOBAKMCVUAM-LBPRGKRZSA-N	310.394	3.282	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1ccc(Br)cc1O)C(C)C	756628081	VEFIAZPXFHGOCJ-YGRLFVJLSA-N	316.239	3.476	10	20	DGCD	
C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1O	756760155	IMYWOHPIMSBRNC-WBMJQRKESA-N	320.408	3.116	10	20	DGCD	
CC1=C(C(=O)NCc2cccc(Br)c2O)CCC1	765727309	LJBWJEZTTMWHNZ-UHFFFAOYSA-N	310.191	3.271	10	20	DGCD	
CCN(CC)CCN(Cc1cc(OC)ccc1O)CC(C)C	775656353	FONGHTGYYUQSKJ-UHFFFAOYSA-N	308.466	3.201	10	20	DGCD	
CC[C@H](C)n1nc(NCc2cc([N+](=O)[O-])ccc2O)cc1C	776257692	NEOHMHOVGDULBK-JTQLQIEISA-N	304.350	3.388	10	20	DGCD	
Cc1nn(C)c2ncc(CN[C@@H](C)c3ccc(N(C)C)cc3)cc12	776942881	XKALWBVVUJYVSZ-ZDUSSCGKSA-N	323.444	3.194	10	20	DGCD	
O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cccc(O)c1O	794055001	AUJYYNGIEILYGZ-CQSZACIVSA-N	301.317	3.044	10	20	DGCD	
C[C@@H](OCC1CC1)C(=O)NCc1cc(Cl)cc(Cl)c1O	807838912	CISNIAYVLZISKJ-MRVPVSSYSA-N	318.200	3.130	10	20	DGCD	
CC[C@@H](N[C@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1O	817959686	GIJGAACJWZEXRK-CHWSQXEVSA-N	302.340	3.189	10	20	DGCD	
C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1cc(O)cs1	827223500	HXOFNELFBNMPJN-WQGACYEGSA-N	317.410	3.444	10	20	DGCD	
O=C(C1CC2(CC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	830900414	XKXCNVAWRGYMAH-INIZCTEOSA-N	315.413	3.090	10	20	DGCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(F)F	836244057	LTUFYKLZDDODCN-CQSZACIVSA-N	311.376	3.130	10	20	DGCD	
CC(C)(C)C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	837168328	UXCGNLYREQUXGO-HZRUHFOJSA-N	303.402	3.396	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCC(F)(F)F	839917509	FERFBUDXAUHXCQ-LBPRGKRZSA-N	316.367	3.451	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@@H]2CCN[C@H](C)C2)cc1	841004142	MQZJWIZUXTXGJJ-SJLPKXTDSA-N	303.494	3.353	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C[C@H]2CCN[C@@H](C)C2)cc1	841004143	MQZJWIZUXTXGJJ-WMZOPIPTSA-N	303.494	3.353	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(CC(F)F)C1)c1ccc(N(C)C)cc1	841771612	ZWXOSPWMFZDJGI-GOEBONIOSA-N	311.420	3.133	10	20	DGCD	
Cc1ccccc1C1=CCN(C(=O)NCCc2ccc(N)cc2)C1	841960765	WQJWUVIULITHAC-UHFFFAOYSA-N	321.424	3.229	10	20	DGCD	
NCc1ccc2c(c1)CCCN2Cc1cc(Cl)ccc1O	843057783	VBDOOXPAGVWNHS-UHFFFAOYSA-N	302.805	3.457	10	20	DGCD	
CCc1nc(NC(=O)CN(C)c2ccc(OC)cc2)sc1C	844353351	SNZPHSCCYVZJQF-UHFFFAOYSA-N	319.430	3.097	10	20	DGCD	
CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1cccnc1	846473995	PSVNLGGNLWQJEN-UHFFFAOYSA-N	304.777	3.035	10	20	DGCD	
C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1(C)C	846474166	RREGISBYVHWQJY-MFKMUULPSA-N	323.820	3.303	10	20	DGCD	
Cc1nc(CCC(=O)NCc2cc(Cl)ccc2O)cs1	846475442	HJVDFBITAPFSDC-UHFFFAOYSA-N	310.806	3.060	10	20	DGCD	
CCc1cccc(CN[C@@H](C)[C@@H](O)c2ccc(F)cc2)c1O	848896498	BQFUMVDHCASCPR-YVEFUNNKSA-N	303.377	3.305	10	20	DGCD	
CC(C)c1cccc(/C=C2\SC(N3CCOCC3)=NC2=O)c1	853001904	CKDGRWMDKHMEFF-PTNGSMBKSA-N	316.426	3.113	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCCc2sccc2C)c1	858344952	ZJWOCAVEMKFFOO-UHFFFAOYSA-N	304.415	3.112	10	20	DGCD	
CCCOc1ccc(CN[C@H](c2nncn2C)C(C)C)cc1C	873126601	UZUPFVVGWDRWAM-KRWDZBQOSA-N	316.449	3.399	10	20	DGCD	
CCN(C)c1ccccc1CNCc1cc(F)cc(F)c1O	882988454	QIPFYSPNGCJZDX-UHFFFAOYSA-N	306.356	3.416	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCc2cn(C)cn2)c1C	890119806	OBNITGVUEGIDIK-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
CCc1cnccc1[C@@H](C)NCc1ccc(OC)c(OC)c1O	893291569	NNVVYHPJQLDYNK-GFCCVEGCSA-N	316.401	3.218	10	20	DGCD	
COc1cc(C)cc(CNc2cccc([S@@](C)=O)c2)c1O	894120125	KPIBGVFHPYVVAH-OAQYLSRUSA-N	305.399	3.059	10	20	DGCD	
CN(CCCCN1CCCCC1)Cc1cc(F)cc(F)c1O	895683881	WTIYLZDXYXYWFB-UHFFFAOYSA-N	312.404	3.368	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H](CCC(=O)O)C1	901553436	UTUQUVAORMYRLO-HNNXBMFYSA-N	304.434	3.138	10	20	DGCD	
Cc1cc([C@@](C)(O)CNCc2ccc3c(c2)CCCO3)c(C)o1	921776306	RYXLMWXUOLBURT-IBGZPJMESA-N	315.413	3.219	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc([S@@](C)=O)cc1	1118010391	CHXTUOJCFABGFD-OAQYLSRUSA-N	302.443	3.411	10	20	DGCD	
C[C@H]1CC2(CCNCC2)CN1Cc1ccc(N2CCCC2)cc1	1118076066	KLGWROQUTMWZNT-KRWDZBQOSA-N	313.489	3.251	10	20	DGCD	
COc1ccc(CNCCCNC(=O)/C=C\C(C)(C)C)cc1C	1155827422	ABMCRLWKRVROEY-KTKRTIGZSA-N	318.461	3.202	10	20	DGCD	
CC(C)c1oncc1C(=O)N(C)Cc1ccc(N(C)C)cc1	1263703126	KADOYFBCLYWMMA-UHFFFAOYSA-N	301.390	3.136	10	20	DGCD	
O=C(CC1CC(F)(F)C1)Nc1c(Cl)ccc2nonc12	1325024163	WNLGYTHHESXKJA-UHFFFAOYSA-N	301.680	3.250	10	20	DGCD	
COc1ccc(O)c(CNCc2c(C)nn(C(C)C)c2C)c1	1333684575	LHXHXMKEGKANQL-UHFFFAOYSA-N	303.406	3.085	10	20	DGCD	
Cc1cc(CN(C)C(C)(C)C(=O)O)ccc1N1CCCCC1	1600189219	SJPBUQZLGDUAOS-UHFFFAOYSA-N	304.434	3.280	10	20	DGCD	
CC(C)c1ccc(O)c(CN2CCC3(CC2)C[C@@H]3C(=O)O)c1	1604002772	MSZIFJZBVWEUPR-OAHLLOKOSA-N	303.402	3.202	10	20	DGCD	
CC[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)NCc1ccc(OC)c(C)c1	1753485725	ALYACVRJEMAPEW-IXDOHACOSA-N	318.461	3.034	10	20	DGCD	
Cc1ccc(SCCNC(=O)CSc2nccs2)cc1	45055506	ZVCHPZAGKKFEHV-UHFFFAOYSA-N	324.496	3.452	10	20	DGCD	
Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)o1	65430036	WGZIJLWYNMSKCR-HNNXBMFYSA-N	300.402	3.275	10	20	DGCD	
CC[C@H](O)CN(Cc1ccccc1)Cc1cccc(OC)c1O	93688062	VJVSVBYJBZFRSR-KRWDZBQOSA-N	315.413	3.174	10	20	DGCD	
COc1ccc(N2CCN(Cc3cnc(Cl)s3)CC2)cc1	94194770	WAVXTMMFJBTCSY-UHFFFAOYSA-N	323.849	3.127	10	20	DGCD	
CS[C@@H]1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1	117393078	RIAWEWAMTIBCQQ-FUHWJXTLSA-N	320.502	3.287	10	20	DGCD	
Oc1cccc(Cl)c1CNc1cnn(CC(F)(F)F)c1	124796479	JSVBDNPPXGFHDH-UHFFFAOYSA-N	305.687	3.417	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)c3nc[nH]n3)c2C)c1	176210632	XPQKEZRDYVFNCV-ZDUSSCGKSA-N	323.400	3.012	10	20	DGCD	
C/C=C(\C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	176283136	LTCCUHFBCIKOFQ-ACDNVWSCSA-N	324.371	3.339	10	20	DGCD	
CC[C@@H](C)[C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	183257138	SRGIHZBUSMVFPD-HZPDHXFCSA-N	318.461	3.416	10	20	DGCD	
COc1ccc([C@@H](CCO)N[C@H](C)c2cc(F)ccc2O)cc1	185827282	OAIAEYVYEDYWBO-SJKOYZFVSA-N	319.376	3.314	10	20	DGCD	
Cn1cc(CCNCc2cc(F)ccc2O)c2ccc(F)cc21	186474649	FIWOLEMRPJUCIV-UHFFFAOYSA-N	316.351	3.494	10	20	DGCD	
C[C@H](NC[C@@](C)(O)c1ccsc1)c1ccc(F)c(F)c1O	187732129	PCCUHWDRGKKCFL-BJOHPYRUSA-N	313.369	3.290	10	20	DGCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[C@H]1O	246803502	QUKHJZAQZAGYRO-PKOBYXMFSA-N	302.462	3.270	10	20	DGCD	
CSC[C@@](C)(O)CNCc1cc(-c2ccccc2)ccc1O	265698051	PSACTCZCECXRKT-SFHVURJKSA-N	317.454	3.263	10	20	DGCD	
CCOCc1cc(CNCCC(=O)OC(C)(C)C)ccc1OC	266176963	UDQOHGXPBSNEAE-UHFFFAOYSA-N	323.433	3.053	10	20	DGCD	
CC[C@H](C)OCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	269684315	GJNWTAFKBMQEMY-AWEZNQCLSA-N	304.434	3.059	10	20	DGCD	
CC[C@H](C)n1ncc(C(=O)NCc2ccccc2O)c1C1CC1	270463547	GAWCTHMAAMQPEX-LBPRGKRZSA-N	313.401	3.367	10	20	DGCD	
C[C@@](O)(CNCc1ccc(N2CCCCC2)cc1)C(F)(F)F	270485223	KDCMPCQNPXBOIT-OAHLLOKOSA-N	316.367	3.080	10	20	DGCD	
C[C@@H](NCc1cc(F)ccc1O)c1ccc([S@@](C)=O)cc1	272421165	LZCQUHNYOGHGAQ-WSVYEEACSA-N	307.390	3.120	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1C	273467236	FAZRCQDNZUEZJI-XHSDSOJGSA-N	318.461	3.307	10	20	DGCD	
C[C@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1ccccc1O	287136577	RYJCBBNPAVCNFL-SUMWQHHRSA-N	302.393	3.485	10	20	DGCD	
CC(=O)C(=O)CSc1nccn1-c1ccccc1C(C)C	289551040	GFHOQXQIMYLADS-UHFFFAOYSA-N	302.399	3.246	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@@H]1CCN(c2ccccc2F)C1	291054123	NUSHYXGROIDLBV-ZDUSSCGKSA-N	318.367	3.287	10	20	DGCD	
CCN(C[C@H](C)OC)C(=O)NCc1ccc(N(CC)CC)cc1	291473356	KSOKBGAFXUWWOO-HNNXBMFYSA-N	321.465	3.099	10	20	DGCD	
O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(O)c1O	322915685	GUXWGAQYZIHMCN-UHFFFAOYSA-N	312.369	3.340	10	20	DGCD	
Cc1ccc([C@@H](C)NCCn2cc(Br)cn2)c(O)c1	382464425	ZHSILMWKCUSJAN-LLVKDONJSA-N	324.222	3.010	10	20	DGCD	
O=[N+]([O-])c1ncccc1N1CC=C(c2c[nH]c3ncccc23)CC1	603845174	JSFMCMIHJNCJNB-UHFFFAOYSA-N	321.340	3.160	10	20	DGCD	
Oc1cc(Br)ccc1CN[C@H]1CCC(F)(F)C1	701057619	NKRWFKIQQNHPDA-JTQLQIEISA-N	306.150	3.432	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@H]1CCN1Cc1ccccc1)CC2	716235147	AQBDXASHHYOYIV-MSOLQXFVSA-N	308.425	3.244	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cc(C)[nH]n3)c2C)c1	733286179	RPVGPDWLMTXNLZ-UHFFFAOYSA-N	322.412	3.364	10	20	DGCD	
COc1cccc2c1OCC[C@@H]2NCc1ccc2c(c1)CCO2	733332363	UTNWWQZYAKIEMK-INIZCTEOSA-N	311.381	3.244	10	20	DGCD	
C[C@H](NCCN1Cc2ccccc2C1)c1ccc(F)cc1O	756481333	WWCJZRQUCUKTEM-ZDUSSCGKSA-N	300.377	3.198	10	20	DGCD	
CC[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)O1	756923034	BJZVCEDHPLZANT-ROUUACIJSA-N	316.445	3.251	10	20	DGCD	
CCC(C)(C)CNC(=O)NCc1ccc2c(c1)CCCN2C	758543413	FRECVJAAEGQUDA-UHFFFAOYSA-N	303.450	3.304	10	20	DGCD	
CN(C)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1	763613052	JNHMNWZASQGVPY-ZDUSSCGKSA-N	300.805	3.101	10	20	DGCD	
CCOC(=O)C1(CNCc2ccc(N3CCCCC3)cc2)CC1	770665525	MDHCZGKHUQLUOF-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
CC[C@H](NCCC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1	772957885	INVGFRKNQSUHRR-INIZCTEOSA-N	305.466	3.098	10	20	DGCD	
C[C@H](NC(=O)N1C[C@@H](C)S[C@H](C)C1)c1ccc(N(C)C)cc1	773624470	MOEGYEHZLSWTRP-MCIONIFRSA-N	321.490	3.349	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](CCO)c2cccs2)cc1	773842239	ZBAPMAYNCONOOU-INIZCTEOSA-N	304.459	3.418	10	20	DGCD	
COc1ncc(/C=C\C(=O)N(CC(C)C)c2ccccc2)cn1	775825600	WCOLHAXBBKTEOE-KTKRTIGZSA-N	311.385	3.188	10	20	DGCD	
C[C@H]1CCC[C@@H](CC(=O)OCC(=O)c2ccc(O)c(O)c2)C1	783339250	BRZYAVAQGNGZHU-NWDGAFQWSA-N	306.358	3.040	10	20	DGCD	
C[C@H](NCCc1cncn1C)c1ccc(Cl)c(Cl)c1O	788258907	ZDXVRHWHTMLJTR-VIFPVBQESA-N	314.216	3.326	10	20	DGCD	
CC(C)[C@@H](CN[C@@H](C)c1ccc(F)cc1O)c1ccnn1C	788260117	TXPRAEMNUFDNDA-SWLSCSKDSA-N	305.397	3.355	10	20	DGCD	
CCN(CCC[C@@H](C)O)Cc1cc(Br)ccc1O	789328589	YAMRSLGYBWGAOD-LLVKDONJSA-N	316.239	3.138	10	20	DGCD	
CC[C@H](NCc1ccc(C(=O)NC)cc1)c1ccc(F)cc1O	796696805	TVBUTBAFJYDGJZ-INIZCTEOSA-N	316.376	3.132	10	20	DGCD	
Oc1ccc(F)cc1CNC[C@@H]1CCCN1C1CCCCC1	798088232	KPBZYSHLOITUFK-KRWDZBQOSA-N	306.425	3.418	10	20	DGCD	
COC[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1O)C1CC1	815598319	ROZNLAMJVIJVNS-NOZJJQNGSA-N	303.324	3.487	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ncccc1Cl	815836051	OQJSOLZFZXMTMX-UHFFFAOYSA-N	316.788	3.249	10	20	DGCD	
Cc1ccc(O)c(CN2Cc3cnn(-c4ccccc4)c3C2)c1	816668663	UQYXRRKGGJXMPC-UHFFFAOYSA-N	305.381	3.402	10	20	DGCD	
CC[C@@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)(C)O	818580110	BSLFJOLVIXILOF-QGZVFWFLSA-N	314.429	3.373	10	20	DGCD	
C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCN(C2CC2)C1	824445471	AFZAXSFAKDIZQA-LLVKDONJSA-N	312.816	3.101	10	20	DGCD	
CCCn1ncc(NCc2cc(OC)ccc2O)c1C1CC1	824629728	CXLIUPJAVLTAGM-UHFFFAOYSA-N	301.390	3.497	10	20	DGCD	
CCN(CCSC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	826530432	FWFNNRUDGIVALC-ZDUSSCGKSA-N	309.479	3.208	10	20	DGCD	
CCc1oc(C(=O)O)cc1COc1ccc([N+](=O)[O-])cc1OC	830395195	UOSXHZGLNGSULL-UHFFFAOYSA-N	321.285	3.036	10	20	DGCD	
CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C1(CC)CC	841299506	IDGWAYPJFFXOFR-CABCVRRESA-N	305.422	3.374	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c(O)c1	841590488	OTJUAUJXYRMVAW-LSDHHAIUSA-N	320.433	3.415	10	20	DGCD	
C[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(Cl)cc1O	841764111	PDWLNOLZMFENLF-GFCCVEGCSA-N	324.852	3.345	10	20	DGCD	
Cc1cccc(NC(=O)[C@@H](C)N2CCCc3cc(CN)ccc32)c1	843350239	QOHYDMNZBBBCQV-OAHLLOKOSA-N	323.440	3.234	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)C(CC)(CC)CN)cc1	844167235	XTHSDYCFUIPPHX-UHFFFAOYSA-N	319.493	3.256	10	20	DGCD	
CN(C)c1cc(F)c(CNCC(C)(C)c2cccnc2)cc1F	858179767	SPHOXOWUYQFVKG-UHFFFAOYSA-N	319.399	3.493	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H]3C[C@H]3C2)c1	862218959	PGQODMGNXLMISS-RDJZCZTQSA-N	322.408	3.389	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)CCn2c(C)nc3ccccc32)c1	862757574	YWSIUQICKQNMGY-UHFFFAOYSA-N	323.396	3.065	10	20	DGCD	
CCOc1ccc(CNC(=O)N[C@H](C)c2ccccc2O)cc1	875152782	RDHSQEMSENAMLL-CYBMUJFWSA-N	314.385	3.351	10	20	DGCD	
CC[C@@H]1CCCC[C@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	876506902	QHHOEUKIHYBZOQ-OLMNPRSZSA-N	317.477	3.085	10	20	DGCD	
COc1ccc(CN(C)Cc2ccc(C)cc2O)cc1OC	876536273	XIJUOYVDYGTAAR-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
C[C@H](N(C)Cc1ccc(N2CCC(O)CC2)cc1)C1(C)CC1	876806537	PZICCFUKODSHSQ-HNNXBMFYSA-N	302.462	3.268	10	20	DGCD	
Cc1ccc(CNC2CCN(CCc3ccccc3)CC2)c(O)c1	876920356	OUVDZVXFYWTCOS-UHFFFAOYSA-N	324.468	3.497	10	20	DGCD	
COc1ccc(OC)c(CCNCc2c(C)cccc2O)c1	876978454	KNKMHLYTVLDGAE-UHFFFAOYSA-N	301.386	3.050	10	20	DGCD	
OC1CCN(c2ccc(CN[C@@H]3CCCC(F)(F)C3)cc2)CC1	877088199	CUHDGWXGTIWCIW-OAHLLOKOSA-N	324.415	3.315	10	20	DGCD	
Cc1cc(C)cc(OC[C@H](O)CN[C@H](C)c2ccccc2O)c1	879648973	IAAKAYJHRGNITA-HZPDHXFCSA-N	315.413	3.100	10	20	DGCD	
COc1cc(C)cc(CNC(C)(C)[C@H](O)c2ccccc2)c1O	895660972	BFDMHMCYMSIIJY-GOSISDBHSA-N	315.413	3.311	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC1C[C@@H]2CC[C@H](C1)N2C1CC1	903098252	MGEPGZIDDJHQNE-XGSMCBPESA-N	313.489	3.308	10	20	DGCD	
CCOCCCNC(=O)c1sccc1-n1c(C)ccc1C	917393668	RKVVPUAZHJRXOY-UHFFFAOYSA-N	306.431	3.312	10	20	DGCD	
Oc1ccc(Cl)c(F)c1CNCc1cccc2c1OCC2	922945284	WAMJCKCIPVPWKC-UHFFFAOYSA-N	307.752	3.409	10	20	DGCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ncco1	924705369	BAVKHKXZGAJFNU-CYBMUJFWSA-N	303.431	3.079	10	20	DGCD	
Cn1nccc1[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1116442019	CULNKVUPXFZAOL-GOSISDBHSA-N	324.472	3.400	10	20	DGCD	
COc1ccc2c(c1)CCCN2C[C@@H](C)NC(=O)OC(C)(C)C	1321690088	ULDKCRXCVFJXMO-CYBMUJFWSA-N	320.433	3.361	10	20	DGCD	
CC1(C)CCCN(CCNCc2ccc(N3CCCC3)cc2)C1	1326561523	NMHJCKQVELAFQU-UHFFFAOYSA-N	315.505	3.498	10	20	DGCD	
CCN(CC)c1ccc(CNc2ccccc2-c2nn[nH]n2)cc1	1590688666	GRQUFQSOHOISLI-UHFFFAOYSA-N	322.416	3.325	10	20	DGCD	
Cc1cc(O)c(CNc2cccc(-c3nn[nH]n3)c2)cc1Cl	1592055740	CNDSEWCMBFCVQP-UHFFFAOYSA-N	315.764	3.146	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CCC[C@H]2C)cc1F	1776861228	RSAGMQGKESDSND-FZKQIMNGSA-N	322.424	3.405	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1Cc1ccccc1)OCO2	26232861	FGIYHVZYALZBST-INIZCTEOSA-N	311.381	3.328	10	20	DGCD	
COCC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	60345351	CLXKQFMZPMANTK-LBPRGKRZSA-N	318.392	3.388	10	20	DGCD	
O=C(Cc1cccc(F)c1)NCc1ccc(N2CCCC2)cc1	28046830	LPQLBVWTUBKTSG-UHFFFAOYSA-N	312.388	3.285	10	20	DGCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)Nc3nnc[nH]3)c2C)c1	176051888	GBPQPNGWOHTASA-UHFFFAOYSA-N	309.373	3.081	10	20	DGCD	
COc1ccc(N(C)CC[S@](=O)c2ccccc2)cc1F	121744314	UNNUQUWGWIKAIW-OAQYLSRUSA-N	307.390	3.078	10	20	DGCD	
CN(CC1CCC1)C(=O)NCc1ccc(N2CCCC2)cc1	171836460	WJICBJMZHAIYFX-UHFFFAOYSA-N	301.434	3.228	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2C)cc1F	176576817	MNAYMPJDHFMQNA-CYBMUJFWSA-N	307.413	3.366	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@H]2C=C[C@H]1C2	121295925	ZGPBQDWWXBKCPS-GBESFXJTSA-N	312.457	3.167	10	20	DGCD	
CC(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	181086625	JLFMGQYSXCUCJM-PMGBHYCQSA-N	303.402	3.396	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1O	186165614	RWGBWUAYAHZEGV-XIKOKIGWSA-N	301.361	3.016	10	20	DGCD	
C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1C	73915402	WXEVLDLZPVIOLR-CHWSQXEVSA-N	307.413	3.222	10	20	DGCD	
Cc1ccc(O)c(CNC[C@](C)(Cc2ccccc2)[C@H](C)O)c1	191713161	CDHRLTUVOSIRGO-JXFKEZNVSA-N	313.441	3.420	10	20	DGCD	
COc1ccc(N(C)Cc2cccc([N+](=O)[O-])c2)c(OC)c1	132084573	SDNYPAQJOGOKSB-UHFFFAOYSA-N	302.330	3.248	10	20	DGCD	
CC[C@@H](NCCCCCO)c1cc(Br)ccc1O	192929077	ISORXWGFJYEMJO-CYBMUJFWSA-N	316.239	3.358	10	20	DGCD	
Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc3c(c1)CCN3C)N2	130286481	YEEYMGNAESLKSE-SFHVURJKSA-N	307.397	3.184	10	20	DGCD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccs1	48874305	QQNAXSCACAHZCU-UHFFFAOYSA-N	309.372	3.091	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCC[C@@H](C)CC2)c1	190551714	ALJAQHTYOHGCII-OCCSQVGLSA-N	306.406	3.169	10	20	DGCD	
CNCCc1ccccc1C(=O)N1CCc2c(Cl)cccc21	423200392	MDHKFIIUYSBQBC-UHFFFAOYSA-N	314.816	3.305	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2ccc(OC)c(OC)c2)c1	192915725	GPVSWCFIUBZTAX-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
CCOc1cccc(CN2CCC[C@@H](N3CCCC3)CC2)c1O	93563844	WVRQIQYWBBXSCW-QGZVFWFLSA-N	318.461	3.241	10	20	DGCD	
CCOc1cccc(CNC[C@]2(N(C)C)CCC[C@@H](C)C2)c1O	236943228	LTAJYMVNPMWJKJ-BEFAXECRSA-N	320.477	3.391	10	20	DGCD	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)CNC2	261825681	HQQPRGLJGJZCLP-UHFFFAOYSA-N	307.397	3.142	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2c(O)cccc21)c1cc([N+](=O)[O-])ccc1O	273469110	FGJVEUUEOGMTHC-MEBBXXQBSA-N	314.341	3.344	10	20	DGCD	
CCC(CC)(CCO)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273566031	JOABBSLMFJAJCJ-GFCCVEGCSA-N	310.394	3.140	10	20	DGCD	
C[C@H](NCCC(C)(C)CO)c1cc(Br)ccc1O	296462458	NJBKGPQZQSENIC-JTQLQIEISA-N	316.239	3.214	10	20	DGCD	
C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCC1(F)F	811513120	WKLAIXWKIRGWCO-QMMMGPOBSA-N	320.723	3.431	10	20	DGCD	
CC[C@@H](CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)OC	812367938	MXDWZQDGKKNFIM-INIZCTEOSA-N	318.392	3.388	10	20	DGCD	
CCC[C@@](C)(NCc1cc(Cl)c(F)cc1O)C(=O)OC	816528848	UKTHXKIEYLBRMI-CQSZACIVSA-N	303.761	3.006	10	20	DGCD	
COc1c([N+](=O)[O-])ccc(CNCCC(C)(C)C2CC2)c1O	816664428	LOPDYKAQIXHQSB-UHFFFAOYSA-N	308.378	3.225	10	20	DGCD	
CC(C)OCc1noc(COc2ccc(N3CCCC3)cc2)n1	902717221	NFFPKJGIVDEKRD-UHFFFAOYSA-N	317.389	3.174	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc2c(c1)CCC2	734402963	UJBWUSXMQNVCCV-UHFFFAOYSA-N	322.452	3.409	10	20	DGCD	
COc1ccc(C)cc1CN(C)c1ccc(OCC(=O)O)cc1	833731155	SYIDYZQOKGXMOU-UHFFFAOYSA-N	315.369	3.103	10	20	DGCD	
CCn1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cn1	734359147	YTURKLAGCIGXTO-UHFFFAOYSA-N	322.412	3.241	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)cc1	743551711	HUYIJSYHNTYQBH-IAGOWNOFSA-N	315.461	3.330	10	20	DGCD	
C[C@@H](NCCOc1ncccc1F)c1ccc(Cl)cc1O	841751127	KZGZWINVERSIKQ-SNVBAGLBSA-N	310.756	3.309	10	20	DGCD	
CC1(O)CCC(NCc2ccc(N3CCCCC3)cc2)CC1	749295779	HRYYSHPYDDEWLG-UHFFFAOYSA-N	302.462	3.460	10	20	DGCD	
Cc1cccn2cc(CNCc3ccc4c(c3)CCCO4)nc12	921757841	ADSHEFIDVCSISD-UHFFFAOYSA-N	307.397	3.258	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCCc2cccc(F)c2)c1	756360356	RXVGHSGHOJDTDU-LBPRGKRZSA-N	317.360	3.211	10	20	DGCD	
COc1cccc2c1CC[C@H](NCc1ccc3c(c1)CCO3)C2	756033739	IWYLFEUKTFWYEX-KRWDZBQOSA-N	309.409	3.277	10	20	DGCD	
COc1cccc(CCN[C@H](C)c2cc(F)ccc2O)c1OC	756420075	BCSGGKRIQABORG-GFCCVEGCSA-N	319.376	3.442	10	20	DGCD	
C[C@@H](CC(F)(F)F)NCc1ccc(N2CCC(O)CC2)cc1	850566833	TUMBHMYDBNHKHF-LBPRGKRZSA-N	316.367	3.078	10	20	DGCD	
COC(=O)COc1ccc(N(C)Cc2cc(C)ccc2F)cc1	753590952	HJIPIUMNQWACNY-UHFFFAOYSA-N	317.360	3.322	10	20	DGCD	
Cc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n(C)n1	863165329	SZOVGHYUIWKGKL-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
COC[C@@](C)(O)CN[C@@H](C)c1ccc(N2CCCCCC2)cc1	765937628	OXJUXLYZVKJGGM-LPHOPBHVSA-N	320.477	3.115	10	20	DGCD	
C[C@@H](CCc1cccn1C)NC(=O)N[C@H](C)c1ccccc1O	868317402	IFLRBIRXDOPKQI-UONOGXRCSA-N	315.417	3.112	10	20	DGCD	
CCOC[C@@H](O)CNc1ccc(Nc2cccc(OC)c2)cc1	863571352	WPIRHFZNZRKWHD-KRWDZBQOSA-N	316.401	3.248	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC2CCC(F)(F)CC2)cc1	761221675	UZHIEFDSHOYQHU-UHFFFAOYSA-N	311.376	3.130	10	20	DGCD	
CCOc1cccc(CN[C@H](CC)C(=O)OC(C)(C)C)c1O	763500418	ICUALGVPGQDUGU-CYBMUJFWSA-N	309.406	3.001	10	20	DGCD	
CCCc1noc(CN2CCCCc3cc(OC)ccc32)n1	766270578	JSFZDDKISLVIIS-UHFFFAOYSA-N	301.390	3.374	10	20	DGCD	
COc1ccc(OCCCC(=O)N(C)c2ccc(N)cc2)cc1	877078897	IVAVKRCVBNQSCU-UHFFFAOYSA-N	314.385	3.099	10	20	DGCD	
C[C@@H](NC(=O)C[C@@H]1CSCCS1)c1ccc(N(C)C)cc1	773001600	VOCSCLOIEOMCQD-IUODEOHRSA-N	324.515	3.169	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H]1C[C@@H]2CC[C@H](C1)N2	1119032634	YNSBEFSADJTBIL-IBEHDNSVSA-N	300.446	3.369	10	20	DGCD	
O=C(NCCCSc1nccs1)N1CC2(CCCC2)C1	779631582	SCIRJPJCQXJKSJ-UHFFFAOYSA-N	311.476	3.211	10	20	DGCD	
C/C=C/C[C@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	771611493	LVMVQOAZDBFRHG-LAQIPUCWSA-N	312.413	3.151	10	20	DGCD	
CC[C@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)=O	873343272	OYUDCQUAWUZZAM-HNNXBMFYSA-N	300.358	3.014	10	20	DGCD	
CCCOc1ncccc1CNCc1cc(F)cc(F)c1O	882923242	ZISLVKOXDXPZHN-UHFFFAOYSA-N	308.328	3.144	10	20	DGCD	
C[C@@H](NCCc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1O	786940168	PURUQXWJGFHAQK-SNVBAGLBSA-N	322.311	3.472	10	20	DGCD	
COC(=O)[C@H](NCc1cc(C)c(C)cc1O)c1cccs1	789573681	YZPORYIYFDGLEM-OAHLLOKOSA-N	305.399	3.074	10	20	DGCD	
COc1cc(C)cc(CNCCOCc2ccccc2)c1O	894324458	GWKHYNRCULYGIS-UHFFFAOYSA-N	301.386	3.016	10	20	DGCD	
COc1ccc(CNc2cc3c(cc2C)OCO3)c(O)c1OC	893481355	VLNAPLWMLUTGIT-UHFFFAOYSA-N	317.341	3.059	10	20	DGCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)c(O)c1	793151283	UKFLCEWPKKVXKA-OUCADQQQSA-N	306.406	3.025	10	20	DGCD	
Cc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)ncn1	793031814	OCHMYYAONUTBIU-UHFFFAOYSA-N	324.350	3.160	10	20	DGCD	
CN(C)[C@H](CNCc1cc(Cl)ccc1O)c1cccs1	20000087	NNUXTJTWZGQEDO-CYBMUJFWSA-N	310.850	3.500	10	20	DGCD	
CCCN(CC)C[C@H](C)NCc1ccc(N2CCCC2)cc1	1324587399	KAYSOAFEYWCYMK-KRWDZBQOSA-N	303.494	3.497	10	20	DGCD	
CCOc1ncccc1CN[C@@H](C)c1cc(F)cc(F)c1O	1321024309	RYSAETMPGKVXIE-JTQLQIEISA-N	308.328	3.315	10	20	DGCD	
CCC[C@@H]1CN(Cc2cccc(Br)c2O)CCO1	93508767	RLTJVNRHYWCSOK-GFCCVEGCSA-N	314.223	3.156	10	20	DGCD	
Cc1cc(O)c(CN2CCC(CCC(=O)O)CC2)c(Cl)c1	1607700158	VAODMJFJFRVPJC-UHFFFAOYSA-N	311.809	3.431	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2csc(C(=O)O)c2)c1	1607277048	NEZCRCLCWJUFQU-SECBINFHSA-N	307.371	3.011	10	20	DGCD	
O=C(O)c1cnc(Sc2cc(Cl)nc(C3CC3)n2)s1	1610862544	FWEWCIVTXNCMAH-UHFFFAOYSA-N	313.791	3.313	10	20	DGCD	
CCC(CC)(C(=O)O)C(=O)NCc1c(O)ccc2ccccc12	1589474167	QHIXKPQYMGFJAX-UHFFFAOYSA-N	315.369	3.053	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@]2(C(=O)O)CC[C@@H](C)C2)cc1	1776861175	KXWCDAOMXBBKGU-KDOFPFPSSA-N	304.434	3.266	10	20	DGCD	
CCOc1ccc(N(C)CC[S@](=O)c2ccccc2)cc1	150733569	HFIOKNLSFWCGNA-OAQYLSRUSA-N	303.427	3.329	10	20	DGCD	
Cc1nc(C2(NCc3cc(C)c(C)cc3O)CCCC2)no1	68424997	QOEUYZGRRSUZON-UHFFFAOYSA-N	301.390	3.260	10	20	DGCD	
Cc1cc(Br)cc(CNCCc2ccco2)c1O	123564360	RCKORLCETYORKC-UHFFFAOYSA-N	310.191	3.388	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1nc2c(s1)CCC2	154912743	BHGFOGUXRJJUKV-UHFFFAOYSA-N	315.442	3.097	10	20	DGCD	
Oc1ccc2ccccc2c1CN1CCC[C@@H](Cn2ccnn2)C1	154914942	SWBDFSBNGXYNSP-OAHLLOKOSA-N	322.412	3.049	10	20	DGCD	
CCOC(=O)CN(Cc1ccc(F)cc1)Cc1ccccc1O	179566284	BCCQABUTPPEJHK-UHFFFAOYSA-N	317.360	3.097	10	20	DGCD	
Cc1ccc([C@@H](C)NCCN2CCc3sccc3C2)c(O)c1	185105567	ZEDMTVXXLVRQOR-CQSZACIVSA-N	316.470	3.471	10	20	DGCD	
COCCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21	185845826	LGBFUBNFANYBMC-UHFFFAOYSA-N	324.428	3.361	10	20	DGCD	
C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(O)c2O)C1	193104462	IYSHBOGNHBHEHA-IAQYHMDHSA-N	315.344	3.460	10	20	DGCD	
Cn1nc(C2CCCCC2)cc1NC(=O)Cc1ccc(N)cc1	237826223	TWBZFMWULAEGLG-UHFFFAOYSA-N	312.417	3.231	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	245760936	VPJXWCYSMQCEDD-DDKBFKJBSA-N	313.397	3.052	10	20	DGCD	
CCCCN(Cc1nc([C@H](C)OC)no1)Cc1ccccc1O	282545949	WMMVTYZQFZEGGM-ZDUSSCGKSA-N	319.405	3.285	10	20	DGCD	
CC[C@H](N[C@@H](C)C(=O)N1CCCC1)c1cccc(Cl)c1O	287117193	QWHJSYSELLZPCS-FZMZJTMJSA-N	310.825	3.097	10	20	DGCD	
CN(C)c1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1	289641117	SMSMROOPPZMUEQ-QZTJIDSGSA-N	300.446	3.286	10	20	DGCD	
COc1ccc([C@H](CCO)N[C@@H]2CCc3cccc(O)c32)cc1	296865827	NTEGVVCYVKQPAQ-DLBZAZTESA-N	313.397	3.101	10	20	DGCD	
CN(C)c1cc(C(F)(F)F)nc(Sc2nccs2)n1	301093909	PCJYEHAMTCMZIA-UHFFFAOYSA-N	306.338	3.169	10	20	DGCD	
COc1ccc(N2CCC(Nc3nc(C)cnc3C)CC2)cc1	302205499	CZSFQOJQXHJOEO-UHFFFAOYSA-N	312.417	3.183	10	20	DGCD	
Cc1c(CNC(=O)c2c[nH]c3ncccc23)n(C)c2ccccc12	352130180	XTBUDIYRIOKLPJ-UHFFFAOYSA-N	318.380	3.293	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]1c1ncon1	371373595	NKMCPOJQLNJSPC-NSHDSACASA-N	314.172	3.419	10	20	DGCD	
CN(C)c1ccc(CNC2CCC(O)(C(F)(F)F)CC2)cc1	396332971	SGJNQPPXGUEYGU-UHFFFAOYSA-N	316.367	3.078	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	424706957	ZSMVFJOIAOMXBX-HIFRSBDPSA-N	302.418	3.304	10	20	DGCD	
CC(=O)Nc1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1	726067036	IPZZFRXFKZPMKF-UHFFFAOYSA-N	311.429	3.343	10	20	DGCD	
CCn1c([C@@H](C)NC(=O)c2cc(O)cs2)nc2ccccc21	731873793	USQYAIYUQDBTAI-SNVBAGLBSA-N	315.398	3.314	10	20	DGCD	
CC(C)N(C(=O)COC(=O)c1cc(O)cs1)c1ccccc1	731910591	SYGDBRJVTHFAPZ-UHFFFAOYSA-N	319.382	3.052	10	20	DGCD	
CN1CCCc2cc(CNC(=O)c3ccc(Cl)cn3)ccc21	736009638	WGMBQBBGUPZZGT-UHFFFAOYSA-N	315.804	3.047	10	20	DGCD	
CC(C)Cc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1	755701912	YYADFYHCRXJBBA-QGOAFFKASA-N	320.392	3.347	10	20	DGCD	
Cc1ccc([C@@H](C)N[C@H]2CC(=O)N(c3ccccc3)C2)c(O)c1C	756475895	PKLJIUOGZCNRNE-CVEARBPZSA-N	324.424	3.465	10	20	DGCD	
Cc1ccc([C@H](C)NCCC(=O)Nc2ccccn2)c(O)c1C	756480132	RDFMCSWJVMWNNT-AWEZNQCLSA-N	313.401	3.083	10	20	DGCD	
CC(C)C[C@H](O)CN[C@@H](C)c1cc(Br)ccc1O	756498625	VQUQYLGRCUAXSN-JQWIXIFHSA-N	316.239	3.212	10	20	DGCD	
COc1cccc([C@H](O)CN[C@@H](C)c2cc(F)cc(F)c2O)c1	756563011	KXGMJTGNTKLQFY-MGPLVRAMSA-N	323.339	3.063	10	20	DGCD	
C[C@H](NCC1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1O	756711048	HTUSBGHUVYNICM-LBPRGKRZSA-N	312.369	3.366	10	20	DGCD	
Cc1nnc(CN[C@H](C)c2cc3c(cc2O)CCCC3)s1	757636962	FUAOVCVQGOTBQQ-SNVBAGLBSA-N	303.431	3.282	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN(C)CCOC(C)(C)C)c1O	767906690	VVDAFSAAECGWIP-UHFFFAOYSA-N	313.825	3.495	10	20	DGCD	
COCCN(CCOC)Cc1cc(-c2ccccc2)ccc1O	768143860	ZROZQVZQIQNTHK-UHFFFAOYSA-N	315.413	3.154	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@H]1C1CCCCC1)[C@H](O)CO2	768442515	KWXKAVIJKKJURL-FUHWJXTLSA-N	317.429	3.363	10	20	DGCD	
CCOc1ccc(CN(CC(=O)OC(C)(C)C)C(C)C)c(O)c1	769502881	DOWGQINKGBCYGV-UHFFFAOYSA-N	323.433	3.343	10	20	DGCD	
COc1cccc(O)c1CN1C[C@@H](C)O[C@H](c2ccsc2)C1	769514403	LYDOOKOLZRLEST-PXAZEXFGSA-N	319.426	3.424	10	20	DGCD	
Cc1cc(F)ccc1C(=O)NCc1ccc2c(c1)CCCN2C	771253872	GTHZQQDSUMZXJY-UHFFFAOYSA-N	312.388	3.447	10	20	DGCD	
CCn1c(-c2ccc(N3CCN(C)CC3)cc2)nc2ccccc21	771512899	HMMBLQDKWIGKLB-UHFFFAOYSA-N	320.440	3.475	10	20	DGCD	
COc1ccc(N2CCC(N[C@@H]3CCOC(C)(C)C3)CC2)cc1	773107208	MEPBJQTUISJLGJ-MRXNPFEDSA-N	318.461	3.211	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCN2CCCC(C)(C)C2)c1	774488932	SDCFYQUOVUQTFT-CQSZACIVSA-N	306.450	3.173	10	20	DGCD	
C[C@H](NC(=O)Nc1cnn(C(F)F)c1)c1ccc(N(C)C)cc1	775706773	DUPCPJVUDAWZPR-JTQLQIEISA-N	323.347	3.227	10	20	DGCD	
CN(C)c1ccc(CNCc2nc3c(s2)CCCC3)cc1	776311430	RTDPWWGXBFTWOK-UHFFFAOYSA-N	301.459	3.378	10	20	DGCD	
Cc1ccc(C(=O)N2CCc3cc(F)ccc3[C@@H]2C)c(O)c1O	780948645	UXMZCASBKMGHJD-NSHDSACASA-N	315.344	3.305	10	20	DGCD	
CC(C)[C@H](CC(F)(F)F)NCc1cc2c(cc1O)OCO2	782543087	AWCHXHDMUZJYCJ-JTQLQIEISA-N	305.296	3.188	10	20	DGCD	
C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)cc(F)c1O	785990113	ZAUGHONHFSDMJY-ISTVAULSSA-N	301.789	3.166	10	20	DGCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)[C@@H](O)c2ccc(C)cc2)c1	797057748	BFUPQNOPWCKTKK-CKFHNAJUSA-N	315.413	3.482	10	20	DGCD	
C[C@H](Cn1ccc2ccccc21)C(=O)NCc1ccc(O)c(O)c1	802784930	USILAMRCXAOFRG-CYBMUJFWSA-N	324.380	3.005	10	20	DGCD	
CC[C@H](N[C@H](C)COCCOC)c1cccc(Cl)c1O	806147963	PBCKNCDBMREDMW-RISCZKNCSA-N	301.814	3.138	10	20	DGCD	
CC(=O)C(=O)CSc1nc2ccccc2n1-c1ccccc1	808012606	SKIIQORFJAGRSO-UHFFFAOYSA-N	310.378	3.276	10	20	DGCD	
COc1ccc(O)c(CN=c2cc(C)[nH]c3ccc(F)cc23)c1	811806316	QSMVJIZYHAEJJF-UHFFFAOYSA-N	312.344	3.431	10	20	DGCD	
Cc1cc(CN(CCO)CCc2ccccc2)ccc1N(C)C	815047072	DMIWTAVEYKBCJB-UHFFFAOYSA-N	312.457	3.098	10	20	DGCD	
Cc1cc(CN2CCC[C@H](OCC3CC3)C2)ccc1N(C)C	815095081	LXMUQWFQIYUKNH-SFHVURJKSA-N	302.462	3.452	10	20	DGCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)ccc1Cl	816028923	QZHOXPNFXUQILS-VIFPVBQESA-N	323.751	3.251	10	20	DGCD	
Oc1c(CN[C@@H]2c3ccccc3C[C@@H]2O)ccc2ccccc12	816539239	XTGUQOHPTLEITQ-RBUKOAKNSA-N	305.377	3.293	10	20	DGCD	
C[C@@H](O)C[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1O	816594945	UDHVTCIPOQMTHF-ZYHUDNBSSA-N	301.789	3.310	10	20	DGCD	
NC(=O)Nc1cc(NCc2cccc(Cl)c2O)ccc1F	816625098	RCJJNSXXQVOKDK-UHFFFAOYSA-N	309.728	3.287	10	20	DGCD	
CC1(C)CCC[C@@]1(O)CNCc1cc(Cl)cc(F)c1O	816640307	CDWYKVSBFUMWHX-OAHLLOKOSA-N	301.789	3.216	10	20	DGCD	
O=C(N[C@@H]1C=CCC1)N(Cc1ccco1)Cc1ccccc1O	821085184	CSYAXNCDACKNDX-OAHLLOKOSA-N	312.369	3.416	10	20	DGCD	
Cc1cc(O)c(CNC[C@H](O)Cc2cccc(F)c2)cc1Cl	826030487	ZVXRBCQSVBPIDA-OAHLLOKOSA-N	323.795	3.186	10	20	DGCD	
CC[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@@H](C)O	836860675	YVBXXXYZXGUDGP-DYVFJYSZSA-N	318.392	3.122	10	20	DGCD	
CC(C)C[C@@H]1C[C@H]1NC(=O)NCCCSc1nccs1	838514589	RSYCAUBWLQQUJG-VXGBXAGGSA-N	313.492	3.359	10	20	DGCD	
C[C@@H]1CCC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	839146528	KVDYOLXEDDGVLC-MLGOLLRUSA-N	310.388	3.080	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1cccc2c1CN(C)C2=O	840959054	XPGFRXWHLPJAHB-UHFFFAOYSA-N	309.413	3.259	10	20	DGCD	
CC[C@H](CNCc1cc(OC)c(OC)cc1O)CC(F)(F)F	840960644	RKDVMAGOXTUOOF-JTQLQIEISA-N	321.339	3.478	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(Cl)cc1O	841750440	XGYZLVJOEJFRKT-XHDPSFHLSA-N	321.804	3.438	10	20	DGCD	
c1cc2c(c(NCc3ccc(N4CCOCC4)cc3)c1)OCC2	846746265	XPIVOFRRLOMCDF-UHFFFAOYSA-N	310.397	3.070	10	20	DGCD	
CCCOc1ccc(CNCc2cccc(CC)c2O)cn1	848893450	CVBKRAIULDVESN-UHFFFAOYSA-N	300.402	3.428	10	20	DGCD	
CCN(CC)c1ccc(CNC(=O)NCCC(C)(C)F)cc1	851988130	UAFDUKOAMGYUJX-UHFFFAOYSA-N	309.429	3.470	10	20	DGCD	
C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1cncc(F)c1	858176219	PYBFYVLGULEZFK-JTQLQIEISA-N	309.335	3.416	10	20	DGCD	
COC(=O)c1ccc(CNc2ccc3c(c2)ncn3C)c(F)c1	864016000	HVKHTJTXZPQZGS-UHFFFAOYSA-N	313.332	3.111	10	20	DGCD	
Cc1cc(N(C)C)ccc1[C@@H]1NC(=O)c2cc(F)c(F)cc2N1	877859728	IFMSWBSHDLVAAY-INIZCTEOSA-N	317.339	3.193	10	20	DGCD	
CNC(=O)N(C)c1ccc(N[C@H]2CCc3cccc(O)c32)cc1	883318078	FHZBGPGKHHLVJN-HNNXBMFYSA-N	311.385	3.267	10	20	DGCD	
COc1cc(C)cc([C@H]2Nc3ccc(C)cc3C(=O)N2C)c1O	887328006	HOCSQCUTQPLWMY-KRWDZBQOSA-N	312.369	3.214	10	20	DGCD	
COc1ccc(CNCc2c(C)cccc2C)c(O)c1OC	893171320	CXIBETULGNKITF-UHFFFAOYSA-N	301.386	3.316	10	20	DGCD	
COc1cc(C)cc(CNc2ccc(C)nc2N(C)C)c1O	894366912	OLVDFUPPEOXPEQ-UHFFFAOYSA-N	301.390	3.091	10	20	DGCD	
Cc1cc(O)c(CN2CCC(NC3CCC3)CC2)cc1Cl	897982741	QPNCYNZKGZQBBQ-UHFFFAOYSA-N	308.853	3.461	10	20	DGCD	
CCCc1ccccc1S(=O)(=O)Nc1ccc(O)c(OC)c1	901662977	HWMVRBSCWMBTCE-UHFFFAOYSA-N	321.398	3.154	10	20	DGCD	
CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(N2CCCCC2)cc1	903299077	DDUCQBOVZWEGIX-KFKAGJAMSA-N	318.461	3.131	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CC[C@H](CC(=O)O)C2)cc1	905811767	XCYWAMYWUFKEND-JKSUJKDBSA-N	304.434	3.266	10	20	DGCD	
CC(C)(C)CNC(=O)NCc1ccc(N2CCSCC2)cc1	919919727	MUNLDRVJEAAHJF-UHFFFAOYSA-N	321.490	3.085	10	20	DGCD	
CC[C@H](C)c1nc([C@@H](C)NCc2ccc3c(c2)CCCO3)n[nH]1	922053345	GJXNAAJGBVLXCE-QWHCGFSZSA-N	314.433	3.494	10	20	DGCD	
CC(=O)c1csc(C(=O)Nc2c(Cl)ccc3nonc23)c1	1116850979	XYINTENKDGBVEA-UHFFFAOYSA-N	321.745	3.393	10	20	DGCD	
Cc1nccnc1CN(C)Cc1ccc(N2CCCCC2)cc1	1119248313	ILQFFXSCUVQQIC-UHFFFAOYSA-N	310.445	3.407	10	20	DGCD	
Cn1c(-c2sccc2O)nnc1N1CC[C@@H]2CCCC[C@H]2C1	1338750259	LOIKOGKSGROCIL-RYUDHWBXSA-N	318.446	3.266	10	20	DGCD	
Cc1ccc(O)c(CNc2ncnc3c2cnn3C(C)(C)C)c1	1351354241	WCHQTLJUMGZZKI-UHFFFAOYSA-N	311.389	3.207	10	20	DGCD	
Cc1cc(NC(=O)N(C)Cc2ccccc2O)c(C(=O)O)s1	1600261129	XYGRCKZMRXIPKO-UHFFFAOYSA-N	320.370	3.124	10	20	DGCD	
O=C(O)CN(CCc1ccccc1)Cc1ccc(Cl)cc1O	1602056633	BHBZGUMJMVYZDK-UHFFFAOYSA-N	319.788	3.175	10	20	DGCD	
CCCN(CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1ccccc1O	75829194	BSZIVUABQAQARJ-HOTGVXAUSA-N	318.461	3.109	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CSC	77626127	KXPGZJZJVIHTGG-CYBMUJFWSA-N	309.479	3.036	10	20	DGCD	
Cc1nc(C)c([C@@H](C)N(C)Cc2cc3c(cc2O)OCO3)s1	93275635	YZGVMUGMCCKORE-SNVBAGLBSA-N	320.414	3.387	10	20	DGCD	
CC(C)OC(=O)[C@H](C)N(C)Cc1cc(C(C)(C)C)cc(O)c1O	121634073	NSWZONTZPVEYLD-LBPRGKRZSA-N	323.433	3.167	10	20	DGCD	
C[C@H](NCCCSc1nccs1)c1cccc(CO)c1	121885265	QZYTVKBWCQXYOC-LBPRGKRZSA-N	308.472	3.468	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)c2ccncc2)c1	132757367	WPYBWKCATNBLKQ-STQMWFEESA-N	314.385	3.167	10	20	DGCD	
COc1cccc(CNC(=O)c2ccc(Cl)c(F)c2)c1O	158642383	IISCUBXJNWMIGA-UHFFFAOYSA-N	309.724	3.123	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](CCC(N)=O)C2)cc1C(C)C	170728626	GZRZQQRYIJHYFE-HNNXBMFYSA-N	318.461	3.302	10	20	DGCD	
COc1ccc(O)c(CNC(=O)Cc2c(C)cc(C)cc2C)c1	180420666	JOSQGJNJANDDGM-UHFFFAOYSA-N	313.397	3.185	10	20	DGCD	
CC(=O)c1cc(Cl)cc(CN[C@H](CCO)C(C)(C)C)c1O	183673094	OYLHQPGYSAOJPX-CQSZACIVSA-N	313.825	3.135	10	20	DGCD	
COCCC1(CNC(=O)c2ccc(C)c(O)c2O)CCCCC1	187477310	IALZWLLRHJCSCI-UHFFFAOYSA-N	321.417	3.123	10	20	DGCD	
CCOc1cccc(CNCC[C@](C)(O)c2ccccc2)c1O	189844499	VFZOWEIMBDCGLN-IBGZPJMESA-N	315.413	3.178	10	20	DGCD	
O=C(c1cccc(O)c1O)N(Cc1cccc(F)c1)C1CC1	189868571	GKXVGZFVXVZUNQ-UHFFFAOYSA-N	301.317	3.042	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)[C@H]2CCOC2)cc1	266039737	FWSJTUWDOJIVKJ-RDJZCZTQSA-N	312.413	3.249	10	20	DGCD	
COc1cc(Cl)cc(CN(C)C2CCC(OC)CC2)c1O	273805549	XVRSSZKSRIHMQD-UHFFFAOYSA-N	313.825	3.444	10	20	DGCD	
COc1cc(O)c(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)cc1OC	274325321	DQZOZBWFXOQXLW-DLBZAZTESA-N	323.433	3.091	10	20	DGCD	
O=C1/C(=C\c2ccc3c(c2)CCO3)SC(=S)N1C1CCC1	292381151	UKNUNZVOGJYJTM-NTEUORMPSA-N	317.435	3.375	10	20	DGCD	
COC(=O)c1cnc(SCCCCCn2cccn2)s1	295299794	MDIKMLIGEDNMSL-UHFFFAOYSA-N	311.432	3.089	10	20	DGCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CSc3ccccc32)c1	735509431	ZRIYCUOFLDBRCX-ZDUSSCGKSA-N	302.355	3.237	10	20	DGCD	
O=C(CC[C@H]1CCCO1)NCc1ccc(N2CCCCC2)cc1	742475521	ONJMTXMESAZDQG-GOSISDBHSA-N	316.445	3.252	10	20	DGCD	
C[C@H](NCc1cc(Cl)ccc1O)[C@H](O)c1cccc(F)c1	749116834	MAEMWPQHFVDUOT-QFYYESIMSA-N	309.768	3.396	10	20	DGCD	
CCCN1CCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1	749571741	BQXPVVSQXLGAIX-GOSISDBHSA-N	317.477	3.023	10	20	DGCD	
COc1ccc(N2CCCN([C@H](C)c3ccccn3)CC2)cc1	750039559	PVXCKMZECQMUSW-MRXNPFEDSA-N	311.429	3.364	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NCCC3CCC3)ccc21	755266835	YHKYZXVNWBMQFM-UHFFFAOYSA-N	301.434	3.058	10	20	DGCD	
C[C@@H]1C[C@@H](NC2CCN(C3CC3)CC2)c2c(O)ccc(F)c21	756368883	RJZKQXXINGVUTA-IAQYHMDHSA-N	304.409	3.296	10	20	DGCD	
Cc1cccc2nc(CN[C@@H](C)c3cc(F)cc(F)c3O)cn12	756565719	YMXKUHGAQYAEQK-NSHDSACASA-N	317.339	3.477	10	20	DGCD	
C[C@H](Nc1ccc(N(C)CCO)cn1)c1cc(Cl)ccc1O	756846601	VQKBFNZKAHHPLH-NSHDSACASA-N	321.808	3.042	10	20	DGCD	
CCOC(=O)[C@]1(C(C)C)CCN(Cc2cc(C)c(C)cc2O)C1	773327874	RNBQAZZLDABEKY-LJQANCHMSA-N	319.445	3.420	10	20	DGCD	
Cc1cccc(CN2CCC(C(=O)OC(C)(C)C)CC2)c1O	775678647	HMJGOBDJZQCWIC-UHFFFAOYSA-N	305.418	3.254	10	20	DGCD	
Cc1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1N(C)C	776163398	AOEHKTQNGPCXEB-QRQLOZEOSA-N	314.473	3.498	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O	786583256	QBQUBEUZUOQOMZ-WFASDCNBSA-N	321.367	3.233	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCC[C@@H]3CCCO3)sc2n1	787607699	FYELGFDVVVBZBM-NSHDSACASA-N	320.414	3.221	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1ccn(C(F)F)n1	801548413	FDBKCGPCSXXELR-UHFFFAOYSA-N	323.343	3.426	10	20	DGCD	
CCO[C@@H]1COCC[C@H]1N[C@@H](CC)c1cccc(Cl)c1O	806160475	SASKNTTXHBQXFI-RRFJBIMHSA-N	313.825	3.280	10	20	DGCD	
CC(C)(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1	806506402	SAPFQXLBCKGSSJ-UHFFFAOYSA-N	318.486	3.292	10	20	DGCD	
CC1(C)CCC[C@]1(O)CNCc1c(O)ccc(Cl)c1F	815147800	WMEWZYXDZZNZTA-HNNXBMFYSA-N	301.789	3.216	10	20	DGCD	
C[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H]1C	817944432	BWGQGGMSHLCXJE-RYUDHWBXSA-N	315.442	3.044	10	20	DGCD	
C[C@@H](NCCc1ccc(N)cc1)c1cnn(Cc2ccccc2)c1	817956207	TVDVSXVAPJQWPO-MRXNPFEDSA-N	320.440	3.407	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)CCN1	817970850	GFQRNIGTUZQDSL-JFIYKMOQSA-N	301.478	3.468	10	20	DGCD	
Cc1cc(C(=O)N2CC(CC(F)F)C2)c(C)n1-c1ccccn1	819730185	YHBMDWRQLHBYMT-UHFFFAOYSA-N	319.355	3.216	10	20	DGCD	
CN(C)c1ccc(CN2CCOC[C@H]2c2ccc(F)cc2)cc1	825045788	LILRPMCTRYLGLI-IBGZPJMESA-N	314.404	3.465	10	20	DGCD	
CCO[C@@H]1C[C@@H](NCc2cc(F)cc(C(C)=O)c2O)C12CCC2	831307551	CMIORVPUOCLQNW-HZPDHXFCSA-N	321.392	3.171	10	20	DGCD	
Oc1ccccc1CN1CC(OCCCOc2ccccc2)C1	839138890	WCFXXBBYHQIPGP-UHFFFAOYSA-N	313.397	3.062	10	20	DGCD	
OCC1(NCc2ccc(N3CCCCC3)cc2)CCSCC1	839178021	YEEKPXFKKHOWRH-UHFFFAOYSA-N	320.502	3.025	10	20	DGCD	
C[C@@]1(NCc2ccc(N3CCOCC3)c(F)c2)CC=CCC1	839190832	DRGNLANAQYULGS-GOSISDBHSA-N	304.409	3.251	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](C3CCC3)C2)cc1	840244532	OVBWZQRRSIXADG-INIZCTEOSA-N	301.434	3.084	10	20	DGCD	
CO[C@](C)(C1CC1)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	840859948	QKKRFYJZESWWOB-USBNGQNGSA-N	308.378	3.155	10	20	DGCD	
Nc1ccc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1	841298633	RISQOAFZGBSXAS-HNNXBMFYSA-N	303.406	3.272	10	20	DGCD	
COc1cc(Cl)cc(CNC[C@H](CC(C)C)OC)c1O	841887959	AYVYQAVHGRORIU-ZDUSSCGKSA-N	301.814	3.205	10	20	DGCD	
Nc1ccc(CCNC(=O)N2CC[C@H](c3ccccc3)C2)cc1	841957194	PBPWVXXEINOBIA-KRWDZBQOSA-N	309.413	3.010	10	20	DGCD	
CCNC(=O)OC[C@H]1CCCCN1Cc1cccc(CC)c1O	848911671	XRDNYAAPNKZKNF-MRXNPFEDSA-N	320.433	3.055	10	20	DGCD	
COc1cc(CNC[C@H]2CC[C@@H](C)O2)c(O)c(C(C)(C)C)c1	850320495	JXGVGKJBBPHLMJ-TZMCWYRMSA-N	307.434	3.355	10	20	DGCD	
C[C@H](N[C@H](C)C1(CO)CC1)c1ccc(N2CCCCC2)cc1	850516119	JRWHKVRGMLHTQK-JKSUJKDBSA-N	302.462	3.489	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)NCC[C@@H]2C[C@H]3C=C[C@H]2C3)c1	858591064	ZUIXASJRFAUKPD-SOUVJXGZSA-N	300.402	3.102	10	20	DGCD	
Cc1[nH]c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1C=O	860949608	BCSMBGSPPBMRHE-LBPRGKRZSA-N	313.401	3.001	10	20	DGCD	
C[C@H]1C[C@H]1c1nnc(NCc2c(O)cccc2Br)o1	865294608	PYPFNJYMRXXDOU-JGVFFNPUSA-N	324.178	3.273	10	20	DGCD	
Cc1cc(F)ncc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	867504099	RWWGQYROSCJOGJ-GFCCVEGCSA-N	301.365	3.086	10	20	DGCD	
COc1ccc([C@@H](NCc2cc(F)cc(F)c2O)C2CC2)cn1	883192101	QUAHFTRSAZZISG-INIZCTEOSA-N	320.339	3.315	10	20	DGCD	
COc1ccc(CN2CCCOc3ccccc32)c(O)c1OC	894530230	RURDDDOIUKBWFK-UHFFFAOYSA-N	315.369	3.199	10	20	DGCD	
OC1CCN(c2ccc(CNc3cncc(Cl)c3)cc2)CC1	895876402	QIYBNEKZMLEURJ-UHFFFAOYSA-N	317.820	3.308	10	20	DGCD	
C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1cscn1	903447835	CWYJLXUHWLVXBY-SUMWQHHRSA-N	318.490	3.163	10	20	DGCD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)N(C)Cc2ccccc2O)o1	918077977	KWLWZBLOXMOHMT-IUODEOHRSA-N	314.385	3.450	10	20	DGCD	
C[C@@H](NCCc1nc2c(s1)CCC2)c1cc(F)ccc1O	926930099	FWDGUOSZHRXBML-SNVBAGLBSA-N	306.406	3.370	10	20	DGCD	
COc1ccc(CNC[C@@H]2CC[C@@H](NC(=O)C(C)C)C2)cc1C	994771843	RFYUKKGYBOEAOL-IAGOWNOFSA-N	318.461	3.034	10	20	DGCD	
CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccc(OC)c(C)c1	1036477204	LAZFIZAFCCYHNO-PBHICJAKSA-N	318.461	3.130	10	20	DGCD	
CC(C)Cn1c(-c2sccc2O)nnc1N1CC[C@@H](CF)C1	1347667190	BYZGJUOJJIMXQW-NSHDSACASA-N	324.425	3.164	10	20	DGCD	
C[C@@H](NCCCNc1ccccc1)c1cc(C(=O)O)ccc1O	1593267129	LJLAUIYTZBKOMC-CYBMUJFWSA-N	314.385	3.243	10	20	DGCD	
CCN(C)c1ccc(CNCc2ccc(C(=O)O)cc2)c(C)c1	1776856553	VBXQPFRJODYNJC-UHFFFAOYSA-N	312.413	3.439	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CCC[C@@H]3C[C@@H]32)cc1	1776861164	JSPFEEHCZVMECK-HHXXYDBFSA-N	316.445	3.266	10	20	DGCD	
CCN1CCc2cc(CN[C@H](CC(=O)O)C3CCCC3)ccc21	1776884804	ZCRBZHLTAIYKOO-QGZVFWFLSA-N	316.445	3.192	10	20	DGCD	
COc1ccc(N(C)Cc2cc(C(=O)O)ccc2OC)cc1F	1777366848	INTPWUAVMILDLW-UHFFFAOYSA-N	319.332	3.178	10	20	DGCD	
Cc1cccc(-n2c(C)cc(C(=O)NCc3cnn(C)c3)c2C)c1	53409368	HLTBDKHDSZQUMA-UHFFFAOYSA-N	322.412	3.066	10	20	DGCD	
CC(C)CCOCCN[C@@H](C)c1ccc(N2CCOCC2)cc1	119515033	WXHDSOVQPJBNKY-KRWDZBQOSA-N	320.477	3.237	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@@H]2CCC[C@H]2O)c1C	178604065	PHHTYPPUOJQJIV-SJLPKXTDSA-N	312.413	3.046	10	20	DGCD	
CC(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1	110259195	SOPCSAJMFUZSRH-UHFFFAOYSA-N	322.408	3.202	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)c1cnc(-c2ccco2)s1	170893352	NKCQDEDQLDJKHH-UHFFFAOYSA-N	314.366	3.381	10	20	DGCD	
Cc1noc(C)c1CNC(=O)c1cc(C)n(-c2ccccn2)c1C	62520004	GIRDDFCLVJYSFX-UHFFFAOYSA-N	324.384	3.024	10	20	DGCD	
Cc1ccc(C(=O)N2CCSC3(CCCCC3)C2)c(O)c1O	179539796	NPHFFHXGDGRPIZ-UHFFFAOYSA-N	321.442	3.298	10	20	DGCD	
CCN(C(=O)c1cccc(O)c1O)[C@@H](C)c1ccc(C#N)cc1	188267876	GYCWXSOKEAJBIX-LBPRGKRZSA-N	310.353	3.193	10	20	DGCD	
CCN(CC)C(=O)CN[C@@H](C)c1ccc2ccccc2c1O	318038051	RJOYPYMMTNBHRB-ZDUSSCGKSA-N	300.402	3.064	10	20	DGCD	
CCOCCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCC1	128657292	LIXWIYAPIURXBO-ZDUSSCGKSA-N	321.417	3.175	10	20	DGCD	
Cc1cccc([C@H](C)CNC(=O)/C=C/c2ccc(O)c(O)c2)c1	181116816	WNGGNDWYJLGINM-RCQQVGEISA-N	311.381	3.339	10	20	DGCD	
C[C@H]1CN(CCCCN[C@@H](C)c2ccc(F)cc2O)C[C@@H](C)O1	185206505	JIRXXPYDRIDXPU-ZNMIVQPWSA-N	324.440	3.071	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC[C@@H](O)C1	191364543	WSVYLBAXSLGRHS-ZIAGYGMSSA-N	318.442	3.046	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCc2ccc(N(C)C)cc2)c1	192936359	JHMDHLWZJXDQIO-CYBMUJFWSA-N	300.402	3.318	10	20	DGCD	
COc1cc(Br)cc(CN2CC[C@H](C)[C@H]2C)c1O	91859395	KHKWTVBPNFIPAH-VHSXEESVSA-N	314.223	3.394	10	20	DGCD	
C[C@@H](NC[C@@]1(O)CCSC1)c1ccc(N2CCCCC2)cc1	268974881	NISCIBOVVUIAFP-QAPCUYQASA-N	320.502	3.196	10	20	DGCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1cncs1	275918792	HDFIIACFKFUFCW-UHFFFAOYSA-N	317.458	3.189	10	20	DGCD	
CCOc1cccc(CN2CCCC[C@@H]2c2noc(C)n2)c1O	372838962	RHUNUIMZAIMUPI-CQSZACIVSA-N	317.389	3.210	10	20	DGCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1	285641532	KZPFKXFEVUPGDS-DXCKQFNASA-N	304.434	3.045	10	20	DGCD	
CC1(C)CC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1	284438827	RUOQMQQFHLUYRB-QGZVFWFLSA-N	306.425	3.065	10	20	DGCD	
CC[C@@H](NCCC(=O)N(C)C)c1cc(Cl)cc(Cl)c1O	287882888	YNXWJXYMIOEXPG-GFCCVEGCSA-N	319.232	3.218	10	20	DGCD	
CCO[C@@H]1C[C@H](N[C@H](CC)c2ccc(F)cc2O)[C@]12CCCO2	286352180	ZFZWKTAPKCEASA-BZZMCLGOSA-N	323.408	3.299	10	20	DGCD	
CC[C@H](N[C@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1O	806147754	MCVAHGSYARCWAT-PELKAZGASA-N	319.232	3.216	10	20	DGCD	
COC(=O)[C@H](C)NCc1ccc(N(C)Cc2cccs2)cc1	294847910	URZFAGHRPRRUSN-ZDUSSCGKSA-N	318.442	3.036	10	20	DGCD	
CO[C@@H](C)CN(C)C(=O)c1sccc1-n1c(C)ccc1C	804841116	VIKRCBUXCZDGIR-ZDUSSCGKSA-N	306.431	3.263	10	20	DGCD	
OC[C@@H](CNCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1	808430987	NAKUICGWOFLDSA-MRXNPFEDSA-N	317.816	3.141	10	20	DGCD	
CO[C@@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	804840692	OARMYQKDLOFFBU-ZDUSSCGKSA-N	318.392	3.340	10	20	DGCD	
CCCCN(Cc1ccccc1O)C[C@@H]1CC2(CC2)C(=O)O1	801595192	IXYMDULUAXZSLA-HNNXBMFYSA-N	303.402	3.090	10	20	DGCD	
Cc1cc(Cl)cc([C@H](C)N[C@H]2CCN(C(C)C)C2=O)c1O	808707575	SMDFLTISALHWKH-FZMZJTMJSA-N	310.825	3.014	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)OCC1CC1	801549748	YPRRTRHOLDCINK-CQSZACIVSA-N	305.418	3.336	10	20	DGCD	
Cc1cccc(NC(=O)C[C@H](C)NCCc2ccc(N)cc2)c1	817956352	XCYTZWDRKBLCRL-HNNXBMFYSA-N	311.429	3.127	10	20	DGCD	
Nc1ccc(CCN[C@H]2CCCOc3cc(F)ccc32)cc1	817957828	PNVSUHLDAOCHTG-KRWDZBQOSA-N	300.377	3.454	10	20	DGCD	
COc1ccc(N2CC[C@H](CN[C@@H]3CCC[C@H](OC)C3)C2)cc1	818222434	SQAJBBSEQZVDHL-MDZRGWNJSA-N	318.461	3.069	10	20	DGCD	
CN(Cc1cccc(Cl)c1O)C[C@](C)(O)c1ccccc1	822516951	RLOFKANCJDYURL-KRWDZBQOSA-N	305.805	3.385	10	20	DGCD	
CC(=O)[C@@H]1C[C@H](CC(=O)N[C@H](C)c2ccccc2O)C1(C)C	827941118	MTLMONWGUJODHH-KYOSRNDESA-N	303.402	3.211	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC[C@](C)(O)c2cccc(F)c2)c1	903310304	PUYJFKNWZWRGDM-XIKOKIGWSA-N	319.376	3.098	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1(Cl)CC1	903449002	VEJFYRUTGYKNGB-CJNGLKHVSA-N	309.885	3.105	10	20	DGCD	
CCN(CC)c1ccc(CN(CCC(=O)O)C2CC2)cc1F	901970880	DGIZAWBVSBZNCN-UHFFFAOYSA-N	308.397	3.111	10	20	DGCD	
c1cc(N2CCOCC2)ccc1CN1CC(C2CCCC2)C1	839142720	KTFLDCQBKSCPTN-UHFFFAOYSA-N	300.446	3.145	10	20	DGCD	
COc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1F	734405900	MPLMPPNMJMKUGU-UHFFFAOYSA-N	316.376	3.139	10	20	DGCD	
O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cc(O)cs1	734555024	PTDKUZKURSWEGW-INIZCTEOSA-N	317.410	3.351	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CCCCO	833696868	ZIYMHLJMRUCYPA-LBPRGKRZSA-N	320.458	3.437	10	20	DGCD	
CC[C@H](N[C@H]1CCc2ccccc2NC1=O)c1ccccc1O	839540999	QDILYQPEJPKNPS-RDJZCZTQSA-N	310.397	3.386	10	20	DGCD	
O=C(O)CN(C/C(Cl)=C/Cl)Cc1cc(Cl)ccc1O	833247477	KEELFVJOHPUYQK-WMZJFQQLSA-N	324.591	3.251	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@](C)(CC)OC	838662090	ZJCJDFUWUIKCJY-QGZVFWFLSA-N	308.422	3.129	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](CO)c1cccc(F)c1	840934593	UIRDFXSQPFRTCS-GOSISDBHSA-N	302.393	3.023	10	20	DGCD	
CN(C)c1ccc([C@H](N)CNCc2cc(Cl)ccc2F)cc1	841044934	GFNCVMJDOUMQSM-QGZVFWFLSA-N	321.827	3.335	10	20	DGCD	
CCN(C)c1ccc(Cn2c(-c3cccs3)noc2=O)cc1	741733261	FWJDDLOLVXEUIT-UHFFFAOYSA-N	315.398	3.069	10	20	DGCD	
CC(C)[C@@H]1N(Cc2ccc(N(C)C)cc2)CC12CCOCC2	840969461	KMBSGSJHBVGIPR-SFHVURJKSA-N	302.462	3.390	10	20	DGCD	
CCOc1ccc(CN2C[C@H](C)NCc3ccccc32)c(O)c1	841088892	FIGLXDATJOIWQH-AWEZNQCLSA-N	312.413	3.289	10	20	DGCD	
COC(C)(C)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	742380170	JDPBWEJCCCCVCJ-UHFFFAOYSA-N	321.421	3.100	10	20	DGCD	
COc1cccc([C@H](C)N[C@H](CO)[C@@H](C)c2ccccc2)c1O	846152958	WADIAJXSCKQOSC-GRDNDAEWSA-N	315.413	3.216	10	20	DGCD	
CCSCC[C@H](C)NC(=O)NCc1cc(Cl)ccc1O	845019055	HYNKLHZBRUDMIP-JTQLQIEISA-N	316.854	3.377	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC(C)(C(=O)O)CC2)cc1F	843041372	QXBOUEVUHKBASL-UHFFFAOYSA-N	322.424	3.359	10	20	DGCD	
C[C@H]1CCC[C@H](C)C1NC(=O)NCc1ccc(N(C)C)cc1	747864259	MIIIUCXFRZRWLJ-KBPBESRZSA-N	303.450	3.377	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC(C)(C)OCC2CC2)c1	840877566	YQTKAURHDQQAJR-GFCCVEGCSA-N	321.417	3.035	10	20	DGCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc(-c2ccccc2)ccc1O	840834644	YULWXXZACISOCX-QGZVFWFLSA-N	310.397	3.288	10	20	DGCD	
Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)no1	840487693	HOOKAPCNSFQSBW-LBPRGKRZSA-N	316.405	3.110	10	20	DGCD	
Cc1ncc2c(n1)CC[C@@H](N[C@H](C)c1ccc(Cl)cc1O)C2	841745734	SMXUNQUEEVZZFQ-QMTHXVAHSA-N	317.820	3.352	10	20	DGCD	
CSc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1	758169617	VIXSRQARHGGSTQ-UHFFFAOYSA-N	313.375	3.054	10	20	DGCD	
CCC1(O)CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	756674951	DZUJNVXWHLNVHN-FZWSLVFFSA-N	308.378	3.035	10	20	DGCD	
COc1ccc(N(C)Cc2ccc(OC)c(F)c2)c(OC)c1	752125589	TYPQJMOOIDTYIO-UHFFFAOYSA-N	305.349	3.488	10	20	DGCD	
C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1O	756786226	ZHNQEVXDWYBWHF-SNVBAGLBSA-N	322.311	3.472	10	20	DGCD	
O=C(NCc1cccc(Br)c1O)C(C1CC1)C1CC1	765727555	CNZYXCWRKRNKJM-UHFFFAOYSA-N	324.218	3.207	10	20	DGCD	
CC[C@@H](NC[C@H](C)CC1(C)OCCO1)c1ccc(F)cc1O	866427305	KAQTZHVDIZMTEK-IUODEOHRSA-N	311.397	3.361	10	20	DGCD	
COc1ccc(N(C)Cc2cnc3c(C)cccn23)cc1OC	761219659	AHLQQAQBMPMQEV-UHFFFAOYSA-N	311.385	3.296	10	20	DGCD	
Cc1cc(OCC(=O)NCc2ccccc2O)cc(C)c1Cl	767925943	FXSRLNCARLEYAW-UHFFFAOYSA-N	319.788	3.358	10	20	DGCD	
CN(C)c1cc(F)c(CN2CCC[C@H](N3CCCC3)C2)cc1F	862227607	FAWQSWRZVJYOPQ-HNNXBMFYSA-N	323.431	3.091	10	20	DGCD	
CCO[C@H](CC(=O)NCc1ccc(N(C)C)cc1C)C(C)C	760544078	ARTOTYIWIGCYLS-QGZVFWFLSA-N	306.450	3.128	10	20	DGCD	
CN(C)c1ccc(CN2CCC[C@H]2CN2CCCCC2)cc1	768936786	HQQOXSDSMNUOGV-IBGZPJMESA-N	301.478	3.203	10	20	DGCD	
CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cc2c(cc1O)CCCC2	760885977	NDBOGARNYHFYPH-XVGQJIODSA-N	319.445	3.116	10	20	DGCD	
CCCN(Cc1ccc(N2CCN(C)CC2)cc1)CC1CC1	775632874	CKNPMVKUKREUGG-UHFFFAOYSA-N	301.478	3.060	10	20	DGCD	
COc1c(F)cc(F)cc1NC(=O)/C=C\c1ccc(O)c(O)c1	779533006	VJMYVQPOWAAQEK-HYXAFXHYSA-N	321.279	3.037	10	20	DGCD	
Cc1cccc(CN2CCN(Cc3cccs3)CC2)c1O	775644982	ZCBOGLFRKAFPLF-UHFFFAOYSA-N	302.443	3.080	10	20	DGCD	
CC[C@@H](C)n1nc(NC(=O)NCc2ccccc2O)cc1C	776026592	QAZOACLMSZBVJO-LLVKDONJSA-N	302.378	3.190	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]1CN1CCCC1	775665090	XJOAQZHFJHABBE-CQSZACIVSA-N	312.816	3.245	10	20	DGCD	
C[C@H]1[C@@H](C)N(C)CCN1Cc1ccc(N2CCCCC2)cc1	775986219	PYYNKKTYMBBSCS-SJORKVTESA-N	301.478	3.201	10	20	DGCD	
COc1ccc2c(c1)N(C(=O)/C=C/c1cnccc1C)C[C@@H](C)O2	784049831	RNSWJEIXZCIEGW-BTKRWWFXSA-N	324.380	3.226	10	20	DGCD	
COC(=O)[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1	893602860	LMYDYIWTELXMQN-SFHVURJKSA-N	311.381	3.016	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNc1ccc(Br)nn1	892563644	FIYCLBVSDFIDCU-UHFFFAOYSA-N	321.222	3.226	10	20	DGCD	
COc1cc(C)cc(CNCCc2ccc(F)c(F)c2)c1O	894534054	XBRWUWSOHRVVIT-UHFFFAOYSA-N	307.340	3.320	10	20	DGCD	
CN(C)c1ccc(CN2CCc3c[nH]nc3C2)c(C(F)(F)F)c1	792829249	NCELMYDNZYVTNU-UHFFFAOYSA-N	324.350	3.053	10	20	DGCD	
CC(C)[C@H](O)C1(CNCc2c(O)ccc(Cl)c2F)CC1	790991412	WWIMKTYGLHFUFS-AWEZNQCLSA-N	301.789	3.071	10	20	DGCD	
COc1ccc(CNC(=O)c2ccc(Cl)cc2C)c(O)c1	794388691	ZRHULCWLGKCUKG-UHFFFAOYSA-N	305.761	3.293	10	20	DGCD	
OC[C@@H](CNCc1c(O)ccc(Cl)c1F)CC1CCCC1	798503686	LMOMZLIRVOOKEV-GFCCVEGCSA-N	315.816	3.463	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCN(C2CCC2)C1	795119576	GEIAUQJGAIRJHT-MRXNPFEDSA-N	301.478	3.059	10	20	DGCD	
C[C@]1(CCCO)CCCN1Cc1ccc(N2CCCC2)cc1	1329823113	IEVZHACWNKCGQF-LJQANCHMSA-N	302.462	3.414	10	20	DGCD	
C[C@H](Nc1ccc(CCC(N)=O)cc1)c1cc(F)cc(F)c1O	1323829453	JIJZRCLHUBFMPJ-JTQLQIEISA-N	320.339	3.261	10	20	DGCD	
C=CC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1	1335866811	LFJPOZYOFFWOOU-UHFFFAOYSA-N	310.397	3.480	10	20	DGCD	
CSc1ccc(N(C)C(=O)c2ccccc2CCN)cc1	1579388466	VZUBBXFAOHZIAV-UHFFFAOYSA-N	300.427	3.186	10	20	DGCD	
COc1cc(C(=O)O)ccc1NCc1cc(C)cc(OC)c1O	1599375463	YTHRWCOKILURLC-UHFFFAOYSA-N	317.341	3.028	10	20	DGCD	
Cc1ccc([C@@H](C)NCc2cccc(-c3nn[nH]n3)c2)c(O)c1C	1592136027	QWGYQKZQLKQHHL-CYBMUJFWSA-N	323.400	3.040	10	20	DGCD	
CC[C@H](NCc1ccccc1CC(=O)O)c1ccc(F)cc1O	1595305513	QRGVSXBNKWQIEQ-INIZCTEOSA-N	317.360	3.399	10	20	DGCD	
CCN(C)c1ccc(CN[C@@H](C)[C@@H](C(=O)O)C(C)C)c(C)c1	1776857035	APDVZLCTOFVEDG-YOEHRIQHSA-N	306.450	3.286	10	20	DGCD	
CC(=O)N(CCc1nc(-c2ccc(O)c(O)c2)cs1)C(C)C	157585893	NZXGIFZWNYEOQC-UHFFFAOYSA-N	320.414	3.021	10	20	DGCD	
CC[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@H](C)O	708173087	VCBRGYZCAXHVKV-WRWORJQWSA-N	322.630	3.057	10	20	DGCD	
CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc(N)cc1	841296188	QFKZHZYCAUTLRU-UHFFFAOYSA-N	313.401	3.074	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNCCc1nccs1	60942181	XHWXMNRYRIVFJX-UHFFFAOYSA-N	303.214	3.488	10	20	DGCD	
CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(C)ccc2O)C1	92400959	POQYSDVGYWMLRT-JKSUJKDBSA-N	318.461	3.217	10	20	DGCD	
Cc1cc(-c2nc(C3CCOCC3)no2)c(C)n1-c1ccccn1	113748441	HWHMHRWYMKYWBF-UHFFFAOYSA-N	324.384	3.433	10	20	DGCD	
NC(=O)c1cccc(NCc2ccc(N3CCCCC3)cc2)c1	120347267	RYXQYBIZDAYAOD-UHFFFAOYSA-N	309.413	3.388	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)CSCC(F)(F)F	125248232	XFHWGWVBWSSVHP-UHFFFAOYSA-N	321.364	3.426	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N[C@H](C)c2ncon2)c1	155457533	NYJLJOYKKBGTRR-CQSZACIVSA-N	324.384	3.277	10	20	DGCD	
C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(N(C)C)c(F)c1	172120358	OMCCKULSNCMATJ-LBPRGKRZSA-N	310.413	3.102	10	20	DGCD	
Cc1cc(O)c(CNCCc2ccc([N+](=O)[O-])cc2)cc1C	174351527	HMZRQJFIAMVQPP-UHFFFAOYSA-N	300.358	3.250	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)CC[C@H](C)O)c1	177453000	XBGZYEWUPULDCP-INIZCTEOSA-N	314.429	3.245	10	20	DGCD	
CCOC(=O)CC[C@H]1CCCN(Cc2cccc(C)c2O)C1	180776912	OMZAZBNOQRETEN-OAHLLOKOSA-N	305.418	3.256	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC[C@@H](C)c2c(C)noc2C)c1	186157647	NYSYMQMYMJXKDU-MNOVXSKESA-N	304.390	3.460	10	20	DGCD	
CC(C)(C)OCc1cc(CNCc2ccc3c(c2)CCO3)no1	186424295	JJRFUIXKMKULPE-UHFFFAOYSA-N	316.401	3.214	10	20	DGCD	
CCN(CC)c1ccc(CNCc2c(Cl)cnn2C)cc1	189052369	VMGUQTYSUQBDOK-UHFFFAOYSA-N	306.841	3.210	10	20	DGCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccc(C#N)c(F)c1	192137104	ZZRLWBUQNDONLY-UHFFFAOYSA-N	311.360	3.162	10	20	DGCD	
CCC[C@]1(COC)CCCN1Cc1cc(OC)c(OC)cc1O	195198051	KSPMADURAZGFIH-GOSISDBHSA-N	323.433	3.191	10	20	DGCD	
O=C1/C(=C\c2ccccn2)SC(=S)N1[C@@H]1C[C@H]2CC[C@H]1C2	249361235	AGXTXWJTLIWVMF-IJSNSJLHSA-N	316.451	3.471	10	20	DGCD	
Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(C)c(O)c1O	272800026	YLDFDZNGZAUYCM-LBPRGKRZSA-N	313.353	3.142	10	20	DGCD	
CN(C)c1ccc(CN[C@H](c2ccccc2)c2cnn(C)c2)cc1	273077762	IIBYKTMOQKQUGZ-HXUWFJFHSA-N	320.440	3.365	10	20	DGCD	
CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cc(OC)ccc2O)n[nH]1	277223590	LMUYZDXPLXFUND-TUAOUCFPSA-N	318.421	3.444	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)Cc1nc(CC)cs1	279526034	VOCOYPZTCCTBEB-UHFFFAOYSA-N	318.442	3.392	10	20	DGCD	
CCCC[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	282114085	KAULSNHGSWESOF-CQSZACIVSA-N	322.424	3.105	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)c1cccc(F)n1	282609134	YRJGVYNVQPNGNP-UHFFFAOYSA-N	302.349	3.369	10	20	DGCD	
CCCOc1ccc(CN[C@H]2CCCc3nn(C)cc32)c(O)c1	283121385	YZVSGELKUDHBFY-INIZCTEOSA-N	315.417	3.082	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCC1(OC)CCCC1	297616710	XELKXMHISSDIBP-UHFFFAOYSA-N	320.433	3.273	10	20	DGCD	
CO[C@@H]1CCN(Cc2cccc(Br)c2O)[C@@H](C)C1	302276893	BJDPUBUFIHERKU-CMPLNLGQSA-N	314.223	3.154	10	20	DGCD	
CCN(CC)c1ccc(CN2CCC[C@@H]2c2ncon2)cc1	371373603	NMKGJSSICVYZIC-MRXNPFEDSA-N	300.406	3.253	10	20	DGCD	
CN(C)c1ccc(CN2CCc3c(cccc3C(=O)O)C2)cc1	391352510	FTIWCDCDPUJCOX-UHFFFAOYSA-N	310.397	3.009	10	20	DGCD	
CC(C)O[C@@]1(C)C[C@H]1NCc1cccc(Br)c1O	527801110	ROOJRGVRJDJULF-OCCSQVGLSA-N	314.223	3.200	10	20	DGCD	
CCOc1cccc(CN[C@H](C)Cc2cccc(O)c2)c1O	729681241	YPUKDTNQMPDDKV-CYBMUJFWSA-N	301.386	3.217	10	20	DGCD	
COc1cccc([C@H]2CCCN2C(=O)c2cc(O)cs2)c1	731867548	WSZYJDNBWMEWJM-CQSZACIVSA-N	303.383	3.440	10	20	DGCD	
C[C@H](OC(=O)c1cc(O)cs1)c1nc(-c2cccs2)no1	732352769	GKSKFBRORBQRDW-ZETCQYMHSA-N	322.367	3.483	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=S)NC(C2CC2)C2CC2)c1	734760682	QOGUYJLCMWFGJJ-SNVBAGLBSA-N	320.458	3.115	10	20	DGCD	
Cc1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c(O)c1O	751533669	BGFDCNAJXKQFMF-UHFFFAOYSA-N	315.354	3.110	10	20	DGCD	
CCCC[C@@H](COC)N[C@@H](C)c1cc(C(=O)OC)ccc1O	756584967	HUOGCSTWLWFESY-JSGCOSHPSA-N	309.406	3.035	10	20	DGCD	
COc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(C)cc1O	756711044	HRDVXVAEHVTGLC-CZUORRHYSA-N	301.386	3.093	10	20	DGCD	
CC(C)Oc1ccc(N(C)C[C@H](O)COc2ccccc2)cc1	759929365	VBWOUFWFVVSJJG-KRWDZBQOSA-N	315.413	3.350	10	20	DGCD	
Oc1cc2c(cc1CN1CCC3(CCCCC3)CC1)[C@H](O)CO2	768446607	ZDGXWUWDKDFFLR-QGZVFWFLSA-N	317.429	3.364	10	20	DGCD	
Cc1cc(CN(C)CCc2cnccn2)c(O)c(C(C)(C)C)c1	770661980	NZDNYBDXJNATGI-UHFFFAOYSA-N	313.445	3.463	10	20	DGCD	
CC[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(N(C)C)c(F)c1	772454724	JTOLPLBUTVUGPA-GXTWGEPZSA-N	307.413	3.364	10	20	DGCD	
CCC(C)(C)N[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	775410250	KLCGYIYWUGTZDX-ZIAGYGMSSA-N	305.466	3.097	10	20	DGCD	
CC[C@H](NCc1cnn(CC(F)(F)F)c1)c1ccccc1O	775513885	OCXSXQNCIQRSTM-ZDUSSCGKSA-N	313.323	3.392	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	779525696	QUQKZAIUPGKNOS-XVOOEYNZSA-N	301.386	3.196	10	20	DGCD	
Cc1ccc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c(O)c1O	780953730	IJUXTQTUILVODG-LBPRGKRZSA-N	305.296	3.113	10	20	DGCD	
Oc1cc2c(cc1CN1CCC[C@@H]1[C@H]1CCCO1)CCCC2	789500068	BZPDCUJLXWFVAS-IEBWSBKVSA-N	301.430	3.414	10	20	DGCD	
COc1ccc(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c(O)c1	794369562	HTMCQSTXSWNQRK-GDBMZVCRSA-N	303.402	3.255	10	20	DGCD	
CC[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(C)cc1O	794818592	VRGOKIYMONDCNP-AEFFLSMTSA-N	317.404	3.484	10	20	DGCD	
CC[C@@H](NC[C@H](O)COc1ccccc1)c1ccc(F)cc1O	796680637	XJZHWQYZCNCHJB-WMLDXEAASA-N	319.376	3.012	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CC[C@@H]3C3CC3)CC2)cc1	798003836	IPZDPGPRTCEJIA-MOPGFXCFSA-N	300.446	3.442	10	20	DGCD	
Cc1cc(CN2CCC(CCN(C)C)CC2)ccc1N(C)C	815020463	AKSNBAGIBLPDLZ-UHFFFAOYSA-N	303.494	3.225	10	20	DGCD	
COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)C(C)(C)C)C2)cc1	819584474	KDSCSDVXAHDGFY-GJZGRUSLSA-N	318.461	3.320	10	20	DGCD	
CCn1cc(CN(C)Cc2ccc(Br)cc2O)cn1	824819110	LUCBHUCQQDAKEF-UHFFFAOYSA-N	324.222	3.003	10	20	DGCD	
CC1=NN(c2ccc(C(=O)N[C@H](C)c3ccccc3O)cc2)CC1	827930607	MQVZXWJLCBGTEO-CQSZACIVSA-N	323.396	3.469	10	20	DGCD	
COC(=O)c1cnc(SCCOc2cccc(C)c2)s1	829692818	TUXVTEPHVVIDFM-UHFFFAOYSA-N	309.412	3.409	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cc(C)cs2)c1	834882049	DHZFSIAODZSYGM-NSHDSACASA-N	305.399	3.400	10	20	DGCD	
COc1ccc2ccc(O)c(CN3CC[C@@H](SC)C3)c2c1	840115461	MBGZELJAKOAVEJ-CQSZACIVSA-N	303.427	3.491	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNCc1cn2c(C)cccc2n1	840932704	STBHCFHKZXMZQO-UHFFFAOYSA-N	308.429	3.307	10	20	DGCD	
C[C@@H](C(=O)OC(C)(C)C)N(Cc1cc(F)ccc1O)C1CC1	840958736	RQCATWYLMLXVDW-NSHDSACASA-N	309.381	3.226	10	20	DGCD	
COc1ccc(N(C)Cc2cc(-c3cnn(C)c3C)no2)cc1	844353562	YPCLBOXHMASAJS-UHFFFAOYSA-N	312.373	3.029	10	20	DGCD	
CC(C)n1cc(NC(=O)NCc2cc(Cl)ccc2O)cn1	844553574	YDGBGYBQGNRJHO-UHFFFAOYSA-N	308.769	3.145	10	20	DGCD	
CCc1cccc(CN(C)Cc2ccc([S@](C)=O)cc2)c1O	848891266	YBHWSLZXTXGNED-QFIPXVFZSA-N	317.454	3.324	10	20	DGCD	
COc1cc(CNC[C@H]2CCC=CO2)c(O)c(C(C)(C)C)c1	850265680	IMVNFAUAWRWQFL-CQSZACIVSA-N	305.418	3.481	10	20	DGCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](F)C2)c1	861862365	PDKUCQRMEKGASZ-INIZCTEOSA-N	314.360	3.091	10	20	DGCD	
CC[C@H](N)c1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1	881379483	SDFYVCGUSAWJCG-INIZCTEOSA-N	313.449	3.035	10	20	DGCD	
CCc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)nc1	883385389	KXLXCPUDWAFIRJ-UHFFFAOYSA-N	315.392	3.232	10	20	DGCD	
COc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)c(O)c1OC	894735448	JMRXNFYJRLVVDH-GDBMZVCRSA-N	303.402	3.030	10	20	DGCD	
Cc1ccc([C@@H](NCc2ccc3c(c2)CCO3)C(=O)O)cc1C	901847702	AREJKGZWZJIXLO-GOSISDBHSA-N	311.381	3.154	10	20	DGCD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1ccc(O)cc1O	910950465	FTTLFJDTRXLVSQ-MJEQTWJJSA-N	321.417	3.088	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCCCO2)cc1	920349608	SOKBYHHQDYZRNC-SFHVURJKSA-N	312.413	3.393	10	20	DGCD	
CC(C)c1nc([C@@H](C)NCc2ccc3c(c2)CCCO3)n[nH]1	921945861	KORJKTKPXHGIQQ-GFCCVEGCSA-N	300.406	3.104	10	20	DGCD	
Cc1nc(Cl)ccc1C(=O)Nc1c(Cl)ccc2nonc12	1261140350	PLGRAZUFDSOSEM-UHFFFAOYSA-N	323.139	3.485	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cc(Cl)ccn1	1324859735	WRNLZMKKBDPXDN-UHFFFAOYSA-N	309.112	3.177	10	20	DGCD	
Nc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1	1334773988	BXHOWSDNGLXAIR-UHFFFAOYSA-N	324.350	3.321	10	20	DGCD	
O=C(O)[C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1	1345098873	CTQCGFIMFZFTLW-LJQANCHMSA-N	324.424	3.072	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC[C@H](CC(=O)O)CC(C)C	1574332937	GWHFFJWJAKJDLH-HNNXBMFYSA-N	306.450	3.288	10	20	DGCD	
Cc1ccc([C@H](NCc2ccc(F)c(F)c2O)C(=O)O)cc1C	1607762049	YEBKLNXFJDVRGU-HNNXBMFYSA-N	321.323	3.203	10	20	DGCD	
COc1ccccc1CCC(=O)NCc1ccc(N(C)C)cc1	8171430	ZWKDWMDOLMYLOI-UHFFFAOYSA-N	312.413	3.010	10	20	DGCD	
CCCCOCC(=O)N(Cc1ccco1)Cc1ccccc1O	173672288	WITZJOICOHJATC-UHFFFAOYSA-N	317.385	3.331	10	20	DGCD	
CCCN(CC(=O)OC)Cc1ccc(N2CCCCC2)cc1	178870202	NMEXKJLJPLTRAP-UHFFFAOYSA-N	304.434	3.062	10	20	DGCD	
CC[C@@H]1COCCN1Cc1cc(Br)cc(C)c1O	124553706	KJISWNQMXAFCGQ-CYBMUJFWSA-N	314.223	3.074	10	20	DGCD	
COCCCN(C)Cc1c(O)ccc2oc3c(c12)CCCC3	66371080	OKVIYDRRNBFZJT-UHFFFAOYSA-N	303.402	3.486	10	20	DGCD	
Oc1ccc(F)cc1CN1CCCN(c2ccccc2)CC1	179970891	IKIMLHSSNKJXFR-UHFFFAOYSA-N	300.377	3.244	10	20	DGCD	
CCc1noc(CC)c1CN[C@H](C)c1cc(OC)ccc1O	185678532	XIAVOULXFLWUTD-LLVKDONJSA-N	304.390	3.364	10	20	DGCD	
CC[C@H]1[C@H](C)CCN1C(=O)NCCCSc1nccs1	185648613	SKLDGNWXFCZZQB-NEPJUHHUSA-N	313.492	3.455	10	20	DGCD	
CN(Cc1cc(C(C)(C)C)cc(O)c1O)CC1CCOCC1	124763186	OGLVAONRURZWKB-UHFFFAOYSA-N	307.434	3.254	10	20	DGCD	
CC(C)N1CC[C@H](CNCc2ccc(N3CCCC3)cc2)C1	314945586	RPPZQLDYTMVFFG-GOSISDBHSA-N	301.478	3.107	10	20	DGCD	
CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc(OC)ccc2O)C12CCC2	185551445	XEDYHEJUJUTLFK-JCURWCKSSA-N	305.418	3.399	10	20	DGCD	
CC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)c1ccccc1	183474599	NLSNQIPKVQZWHU-CZUORRHYSA-N	313.397	3.339	10	20	DGCD	
CC(C)COC[C@H](O)CN[C@H](C)c1ccc2ccccc2c1O	185117144	IINQSKHSAFUOST-GDBMZVCRSA-N	317.429	3.230	10	20	DGCD	
Cc1ccc(N[C@H](C)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])c1	184147154	XMZLGFQCPDLVAJ-LLVKDONJSA-N	302.330	3.358	10	20	DGCD	
C[C@@H]1CCCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	185494770	AYGDWAYEBJWHTI-MRXNPFEDSA-N	313.445	3.394	10	20	DGCD	
Oc1ccc(F)cc1CN1CCO[C@@]2(CCc3ccccc32)C1	180194605	PALFOLYLOJBKEL-IBGZPJMESA-N	313.372	3.205	10	20	DGCD	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(O)c1O	186844977	ICXOJPATYVUKMQ-SECBINFHSA-N	307.296	3.209	10	20	DGCD	
Cc1c(CNC(=O)c2conc2C2CC2)n(C)c2ccccc12	515259741	JLENWUSCESIPLK-UHFFFAOYSA-N	309.369	3.282	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]2CN2CCCCC2)c1O	92218876	MZBCIEZUMZNVNV-KRWDZBQOSA-N	318.461	3.241	10	20	DGCD	
O=C(/C=C\c1cccnc1)NCc1ccc(N2CCCC2)cc1	96305650	PENQWSAIGXAAQW-YFHOEESVSA-N	307.397	3.011	10	20	DGCD	
COc1ccc(O)c(CNc2cnn(Cc3ccccc3)c2)c1	237364752	STAXQVGNKUGBLI-UHFFFAOYSA-N	309.369	3.258	10	20	DGCD	
Oc1cccc2c1[C@@H](N[C@@H]1CCN(Cc3ccccc3)C1)CC2	295867334	GYAXHPNXZIROKE-MSOLQXFVSA-N	308.425	3.244	10	20	DGCD	
Cc1cc(C)n(-c2ccccc2NC(=O)Cc2ccc(N)cc2)n1	237678330	IAHKTVWBPLSWOF-UHFFFAOYSA-N	320.396	3.253	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1O	183511358	ZTTMKZAPVBBZKB-CHWSQXEVSA-N	306.406	3.052	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)Cc2ccc(O)cc2)C2CC2)cc1	268411866	MIUSPSWZUCBBPT-UHFFFAOYSA-N	324.424	3.192	10	20	DGCD	
OC[C@H](CNCc1c(O)cccc1Cl)Cc1ccc(F)cc1	264967353	QAZNFLRRIXQCCU-ZDUSSCGKSA-N	323.795	3.126	10	20	DGCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1nccc2occc12	266123224	APDQNJOWYITTCW-UHFFFAOYSA-N	323.396	3.301	10	20	DGCD	
CCOc1ccc(N(CC)Cc2cc(=O)c(OC)co2)cc1	268554056	NTFCALQNFZRCIX-UHFFFAOYSA-N	303.358	3.074	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC(=O)[C@H]1C	279639210	JAZKCDQHRGWHDK-HOCLYGCPSA-N	316.445	3.106	10	20	DGCD	
Cc1cc(Br)cc(CN(C)Cc2ccccn2)c1O	273411262	OLKAQNHXBYIQJV-UHFFFAOYSA-N	321.218	3.490	10	20	DGCD	
CCCOc1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)c(O)c1	271210118	UEOLBHNXZRYZMN-QFBILLFUSA-N	319.445	3.308	10	20	DGCD	
CC(C)SCCNC(=O)NCc1ccc(N2CC=CC2)cc1	287146997	CGSIJCDJNKDLDR-UHFFFAOYSA-N	319.474	3.004	10	20	DGCD	
CCCc1noc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1	298731311	SNLPXZNEVMSLQG-UHFFFAOYSA-N	314.433	3.253	10	20	DGCD	
CC(C)[C@@H](CO)CN[C@@H](C)c1cc(Br)ccc1O	806169823	RIJBKTBYGAJJID-WDEREUQCSA-N	316.239	3.070	10	20	DGCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)[C@@H](O)c1ccc(F)cc1	297909323	WPBWQKXIZKDYIH-GEWABHDNSA-N	301.361	3.230	10	20	DGCD	
C[C@@H](NC(=O)Cc1ccc(Cl)cn1)c1ccc(N(C)C)cc1	803120524	JJPFGWQGCWPCHP-GFCCVEGCSA-N	317.820	3.221	10	20	DGCD	
CCCN(CCCN(C)C)Cc1cc(Cl)cc(F)c1O	809757429	SQPCOISBMCAXND-UHFFFAOYSA-N	302.821	3.348	10	20	DGCD	
CC[C@H](NCC(F)(F)CN)c1ccc(Cl)c(Cl)c1O	817967163	DKENYNINIGUVCB-VIFPVBQESA-N	313.175	3.334	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC[C@H]3CC=CCC3)C2)cc1	818221778	SZSOWYAIBQTKKT-DLBZAZTESA-N	300.446	3.467	10	20	DGCD	
CN(C)c1ccc([C@@H](N)CNC2CCc3ccccc3CC2)cc1	817940716	HJTCROYALJSPAM-NRFANRHFSA-N	323.484	3.290	10	20	DGCD	
CC1CCN(c2ccc(CN[C@H](C)[C@@H]3CCCN3)cc2)CC1	817902524	SKKMUDPIIZVUAM-APWZRJJASA-N	301.478	3.153	10	20	DGCD	
CCCC[C@H](C)N(C)Cc1ccc(N2CCN(C)CC2)cc1	811520571	QQMBCKRSUQMSJC-KRWDZBQOSA-N	303.494	3.449	10	20	DGCD	
Cc1ccccc1C[C@@H](CO)NCc1cc(Cl)c(F)cc1O	816588483	PHIPQMKDTRQTNX-AWEZNQCLSA-N	323.795	3.186	10	20	DGCD	
Cc1cc(CN(C)C2CCN(C(C)C)CC2)ccc1N(C)C	815034146	FFWBRNQZIIKRQN-UHFFFAOYSA-N	303.494	3.366	10	20	DGCD	
Oc1ccccc1[C@@H](CCc1ccccc1)NC[C@H]1CCCN1	817953268	YFJIBWMYPBAFSJ-IEBWSBKVSA-N	310.441	3.408	10	20	DGCD	
COc1ccc(OC)c([C@H](C)NCCc2ccc(N)cc2)c1	817956339	WQXUPAPQDDTUCX-ZDUSSCGKSA-N	300.402	3.179	10	20	DGCD	
CCOC(=O)CN(Cc1ccccc1O)Cc1ccccc1F	822511941	PAIVLMFXFJBTBL-UHFFFAOYSA-N	317.360	3.097	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CCN(C)C	729286285	JHZNRUXFZREQLN-LBPRGKRZSA-N	319.474	3.226	10	20	DGCD	
C[C@@H]1c2ccccc2CCN1C(=O)/C=C\c1ccc(O)c(O)c1	588406419	RMEUDRBCPKCYCK-FNOHHLHBSA-N	309.365	3.257	10	20	DGCD	
Cc1cc(O)c(CN[C@H]2CCO[C@@H](c3ccncc3)C2)cc1C	824952724	DIUCBTCULKKKPM-PKOBYXMFSA-N	312.413	3.414	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](C)C2(OC)CCOCC2)cc1	834517958	AYZWOEWQIOOKGJ-MRXNPFEDSA-N	320.477	3.207	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1cccs1	734687927	YDZKCCDGILAYPL-UHFFFAOYSA-N	317.458	3.464	10	20	DGCD	
CN(C)c1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc23)cc1	735918081	HOHVOMLDYJORSN-UHFFFAOYSA-N	323.356	3.216	10	20	DGCD	
C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1nccs1	903447735	BUDQXFCOXAWCEH-CJNGLKHVSA-N	318.490	3.163	10	20	DGCD	
C[C@@H]1CN(Cc2c(O)c(C(=O)O)cc3ccccc23)CCS1	736807268	GKQZTPMWSINNIP-LLVKDONJSA-N	317.410	3.181	10	20	DGCD	
CCCc1ccccc1S(=O)(=O)Nc1ccc(O)cc1C	901629190	HDVIIYPAAVFHLL-UHFFFAOYSA-N	305.399	3.454	10	20	DGCD	
Fc1ccc(NNC(=S)Nc2ccc3c(c2)OCO3)c(F)c1	735233945	YQDBTDWZUBPGCT-UHFFFAOYSA-N	323.324	3.007	10	20	DGCD	
CN(C)[C@H](CNC(=O)c1cc(O)cs1)c1ccc(Cl)cc1	746697456	VAGAAJBLIOZUNZ-CYBMUJFWSA-N	324.833	3.140	10	20	DGCD	
C[C@@H]1CN(CN2CCCc3cc(OC(F)F)ccc32)C(=O)[C@H]1C	840037959	ZJBAXZBBECGTOK-NEPJUHHUSA-N	324.371	3.113	10	20	DGCD	
CCOCCOCCN(C)c1ccc(-c2nccs2)cc1	846752317	GZQZXPCXFXXOCX-UHFFFAOYSA-N	306.431	3.299	10	20	DGCD	
CCc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O	848881049	LOXXPPQPLWPGDL-OAHLLOKOSA-N	320.433	3.054	10	20	DGCD	
Nc1ccc(CCNC(=O)NCCC2=CCCCCC2)cc1	841879282	YZRSBZCRXURGBE-UHFFFAOYSA-N	301.434	3.391	10	20	DGCD	
CC[C@H]1CO[C@H](CC)CN1Cc1c(O)ccc2ccncc12	844724984	GFUOBCNYTUXLTL-LSDHHAIUSA-N	300.402	3.330	10	20	DGCD	
Cc1ncc(CN[C@H](C)c2ccc(Br)cc2O)o1	840794068	CITPLIXQWCOARC-MRVPVSSYSA-N	311.179	3.302	10	20	DGCD	
CCCN(CC(=O)O)Cc1ccc(N2CCCCC2)c(C)c1	846265846	SWIKFCGNBMGIQO-UHFFFAOYSA-N	304.434	3.282	10	20	DGCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H](CO)c2ccc(F)cc2)c1	840882327	SSHPEKUAPQDAGO-HIFRSBDPSA-N	303.377	3.266	10	20	DGCD	
C[C@H](NCc1c(C2CC2)cnn1C)c1cc(F)cc(F)c1O	850534828	NRKMDZJXOVJGIS-VIFPVBQESA-N	307.344	3.132	10	20	DGCD	
CC(C)c1cccc(/C=C2/SC(N3CCOCC3)=NC2=O)c1	853001905	CKDGRWMDKHMEFF-RVDMUPIBSA-N	316.426	3.113	10	20	DGCD	
C[C@H](O)C[C@@H](C)N[C@H](C)c1cc(Br)c(F)cc1O	757655908	LORGIXKDKYDVAI-HRDYMLBCSA-N	320.202	3.104	10	20	DGCD	
CCOc1ccc(CN[C@@H]2CCN(C3CCCCC3)C2)c(O)c1	850381453	FRENQPSHKAVLLX-MRXNPFEDSA-N	318.461	3.288	10	20	DGCD	
CCOc1ccccc1COC(=O)/C=C/c1ccc(O)c(O)c1	759592862	AVGHLIBGYRXCFW-CSKARUKUSA-N	314.337	3.253	10	20	DGCD	
CC[C@H](C)C[C@@H](CO)NCc1c(O)cccc1Br	858182574	ZCQLCTUCPLVORS-QWRGUYRKSA-N	316.239	3.041	10	20	DGCD	
C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1	769103790	SYWKBABLUTZWBP-CQSZACIVSA-N	303.406	3.427	10	20	DGCD	
O=C(/C=C/c1nc2ccccc2s1)NCc1ccccc1O	769361836	AYGUQKGCKUUKMK-MDZDMXLPSA-N	310.378	3.332	10	20	DGCD	
O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccccc1O	769362303	VDBKIRGJYIDHPJ-UHFFFAOYSA-N	317.772	3.325	10	20	DGCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@H](C)CCO)c1	763005696	IXXRNIWMJXGLAG-CQSZACIVSA-N	314.429	3.151	10	20	DGCD	
CCCCN(Cc1ccccc1O)C[C@@H](OC)C1CCOCC1	877503162	DBGBBLBVSPJUBF-LJQANCHMSA-N	321.461	3.436	10	20	DGCD	
C[C@@H](NC/C(Cl)=C\Cl)c1ccc(N2CCOCC2)cc1	775255051	NTGJQJOIHITBJK-HLVNSREUSA-N	315.244	3.493	10	20	DGCD	
OC1CCN(c2ccc(CN3CCCC(F)(F)CC3)cc2)CC1	877652588	LHEROTOBVVRANV-UHFFFAOYSA-N	324.415	3.269	10	20	DGCD	
COc1ccc(CN(C)C)cc1NCc1cc(F)cc(F)c1O	883056042	ZPXHIBLRBDYASD-UHFFFAOYSA-N	322.355	3.353	10	20	DGCD	
CC(C)(C)OC(=O)c1ccnc(NCc2ccccc2O)c1	892161817	RCHVEXLRBUJISE-UHFFFAOYSA-N	300.358	3.355	10	20	DGCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC(C)(C)C1	783931174	ZADZXXHZKNWALI-CQSZACIVSA-N	303.450	3.330	10	20	DGCD	
CCOc1ccccc1[C@@H](CC)NC(=O)c1cccc(O)c1O	790621368	ODELKQSHWSJGNC-CQSZACIVSA-N	315.369	3.378	10	20	DGCD	
NC[C@@H](Cc1ccccc1)[C@@H]1CCCCN1Cc1ccc(N)cc1	1262487925	KFDJZOQTUDSKQA-CTNGQTDRSA-N	323.484	3.441	10	20	DGCD	
CCCC(O)(CCC)CN[C@H](C)c1cc(C(=O)O)ccc1O	1609958632	SPKSEPVNWZTSCP-GFCCVEGCSA-N	309.406	3.072	10	20	DGCD	
C/C(=C/c1cccnc1)C(=O)N1CC[C@H](C(=O)O)c2ccccc21	1589005527	IPHSOOQZWYNWRX-KVNDZABWSA-N	322.364	3.090	10	20	DGCD	
CC[C@](NCc1ccc(OC)c(C)c1)(C(=O)O)c1ccccc1	1595299660	BDHYGVDJICBDJJ-LJQANCHMSA-N	313.397	3.483	10	20	DGCD	
C[C@@](NCc1ccc(N2CCCCC2)cc1)(C(=O)O)C1CC1	1776450141	OLYRJOOUGFSTCP-SFHVURJKSA-N	302.418	3.020	10	20	DGCD	
CCCCNC(=O)C1CCN(Cc2cc(C)cc(C)c2O)CC1	164007584	PCHGPLCHZCPGCC-UHFFFAOYSA-N	318.461	3.137	10	20	DGCD	
C[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1ccc(N(C)C)cc1	165078091	GLZYNADUZCBVIS-OAHLLOKOSA-N	317.477	3.052	10	20	DGCD	
Cc1cc(C(=O)NOC(C)(C)C)c(C)n1-c1ccc(C#N)cc1	156021028	LAGUDSDTXWZQAV-UHFFFAOYSA-N	311.385	3.426	10	20	DGCD	
CO[C@H]1CCCN(Cc2cc(Br)ccc2O)CC1	377243663	VJRXOGOGTWUAMF-ZDUSSCGKSA-N	314.223	3.156	10	20	DGCD	
COc1ccccc1[C@H](C)NC(=O)CSc1nccs1	76396864	VMYXPMSSORCZMM-JTQLQIEISA-N	308.428	3.121	10	20	DGCD	
COc1ccc(SCC(=O)N(C)Cc2ccccc2O)cc1	77258308	RRPZOTFMXKDRMJ-UHFFFAOYSA-N	317.410	3.152	10	20	DGCD	
CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C	79481537	QIGLFROYIVAIRN-UHFFFAOYSA-N	307.191	3.216	10	20	DGCD	
CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1O	91974710	PMAOJHXXQUSZFA-UHFFFAOYSA-N	311.360	3.349	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc2c(s1)CCCC2	98074602	UPHRYOWDMLLIMU-UHFFFAOYSA-N	317.410	3.011	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@@H](C)Cn2ccnc2)cc1F	152116939	HKBHINADQORKID-OAHLLOKOSA-N	318.440	3.294	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccncc2)c1O	153841565	JVURZQRSENETBP-KRWDZBQOSA-N	314.360	3.466	10	20	DGCD	
COc1ccc(N2CCC(N[C@H]3CCCSC3)CC2)cc1	159577193	KEACHUCFBQKTCR-HNNXBMFYSA-N	306.475	3.149	10	20	DGCD	
Cc1cc(C)c(O)c(CN2CCC(OC[C@@H]3CCCO3)CC2)c1	164469025	FXDWDEGNEHZKLD-SFHVURJKSA-N	319.445	3.169	10	20	DGCD	
C[C@@H](N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1O	183515707	CAGKSOVQFGEVSO-HIFRSBDPSA-N	310.397	3.128	10	20	DGCD	
Cc1cc2c(cc1C)[C@@H](C(=O)N(C)Cc1ccccc1O)CO2	186102502	HOELARJDEJXLKL-INIZCTEOSA-N	311.381	3.144	10	20	DGCD	
CC(C)N1CCC[C@@H](CN[C@@H](C)c2ccc(F)c(F)c2O)C1	187701382	UPPBXTYMJZSPLP-STQMWFEESA-N	312.404	3.441	10	20	DGCD	
O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc(O)c1O	192909970	FQJZDLCMWPWFLI-UHFFFAOYSA-N	320.348	3.336	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)c3cccc(C)c3)CC2)cc1	244414248	YPUCQNNUBMFFQM-UHFFFAOYSA-N	324.424	3.356	10	20	DGCD	
C[C@H](NC[C@@H]1CCC[C@@H](O)C1)c1cc2c(cc1O)CCCC2	248531341	XWFKHFQTLDZSAN-JJRVBVJISA-N	303.446	3.473	10	20	DGCD	
CCN1CCN(C(=O)/C=C\c2cnc(C)s2)c2ccccc21	255366216	MHOJCLFKONBZBR-HJWRWDBZSA-N	313.426	3.338	10	20	DGCD	
CCc1nc([C@H](C)N[C@@H](C)c2ccc(N(C)CC)cc2)n[nH]1	271499372	LXAJAVRPURYCRJ-STQMWFEESA-N	301.438	3.235	10	20	DGCD	
CCOc1cccc(CN[C@H](CCOC)c2ccco2)c1O	272560053	NFTGKDBMKVUVMK-CQSZACIVSA-N	305.374	3.251	10	20	DGCD	
C[C@H](NCCC[C@@H](C)CO)c1ccc(Br)cc1O	273546721	ZNBIJEBFZBRNFC-MNOVXSKESA-N	316.239	3.214	10	20	DGCD	
COC1CCC(NCc2cccc(Br)c2O)CC1	278349670	ILYCLIIQAKDDFV-UHFFFAOYSA-N	314.223	3.202	10	20	DGCD	
C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1O	302992388	FGSXZEIUWKYGCG-RHSMWYFYSA-N	314.404	3.456	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(F)c1F	588407846	FMOFEPYSTJUMPC-ZEBCKKTISA-N	319.307	3.267	10	20	DGCD	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cscn1	728518379	HGRNFZIFKXSYBE-UHFFFAOYSA-N	301.415	3.063	10	20	DGCD	
CC(C)C[C@H]1COCCN1Cc1c(O)ccc2ccncc12	733789599	XTJHUAXRHIJGIU-HNNXBMFYSA-N	300.402	3.187	10	20	DGCD	
Cc1cc(CN2CCC[C@@H](C(=O)O)C2)c(O)c(C(C)(C)C)c1	738382358	HBVGPAQVZHMYMW-CYBMUJFWSA-N	305.418	3.295	10	20	DGCD	
Cc1cc(O)c(CNCC(=O)Nc2ccc(F)c(F)c2)cc1C	742366337	WQHWYLLWRVYFJS-UHFFFAOYSA-N	320.339	3.016	10	20	DGCD	
Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1O	748355151	TZMHVXOMRLSDAH-UHFFFAOYSA-N	308.337	3.286	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2sc(C)nc2C)c1	756615062	VKWBRPJRQVMNNT-VIFPVBQESA-N	320.414	3.103	10	20	DGCD	
CN(Cc1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCO2	756654906	OKRQGYFQKXPUCD-UHFFFAOYSA-N	307.353	3.237	10	20	DGCD	
COc1cc(Cl)cc([C@@H]2NC(=O)c3c(C)cccc3N2)c1O	758820222	NHUOZNJYFKFBJH-HNNXBMFYSA-N	318.760	3.217	10	20	DGCD	
CCCC1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCC1	759112621	XRLXNWKDFJFGOA-UHFFFAOYSA-N	316.445	3.314	10	20	DGCD	
CC[C@H](NCCCCn1ccnc1)c1ccc(N(C)C)cc1	765258383	LAQUTEBGJCCTIF-SFHVURJKSA-N	300.450	3.470	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CC(F)(F)F)c1	766655520	CWGDUCVSNBIKPI-IUCAKERBSA-N	320.311	3.102	10	20	DGCD	
C[C@H](NC(=O)c1ccc2c(c1)COC2)c1ccc(N(C)C)cc1	772998379	JKKVXWJXOARNPE-ZDUSSCGKSA-N	310.397	3.274	10	20	DGCD	
CC[C@H](NCc1cccc(C(N)=O)c1)c1cc(Cl)ccc1O	775487248	LJQZLKGXMLIUMG-HNNXBMFYSA-N	318.804	3.385	10	20	DGCD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)/C=C\c1ccc(O)c(O)c1	779519421	DCLNWKUXFWMKBP-VVDJSUPNSA-N	303.402	3.444	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1CC(C)(C)C1	780468094	ILZVOEIGXLSFSY-UHFFFAOYSA-N	303.450	3.296	10	20	DGCD	
COc1ccc2c(c1)CCCN2Cc1cc(O)ccc1[N+](=O)[O-]	780767372	UGPNFXVYGBAUGL-UHFFFAOYSA-N	314.341	3.262	10	20	DGCD	
COc1ccnc(CN[C@H](C)c2ccc(N(C)C)cc2)c1OC	789385702	DYYHUESWYXVMAD-CYBMUJFWSA-N	315.417	3.016	10	20	DGCD	
C[C@@H]1C[C@H](CCNCc2c(O)ccc(Cl)c2F)CCO1	790986262	LJEWPRGPIMVQBB-GHMZBOCLSA-N	301.789	3.480	10	20	DGCD	
C[C@H](O)CCCNCc1ccc2c(c1)CCN2Cc1ccccc1	796359605	MNDQIDOWMNKURN-KRWDZBQOSA-N	324.468	3.500	10	20	DGCD	
CCc1ccccc1OCCC(=O)N(C)Cc1ccccc1O	797188693	JHASMCWVQHZRFW-UHFFFAOYSA-N	313.397	3.382	10	20	DGCD	
COc1ccc(CNc2ncc(C)cc2Br)c(O)c1	797830391	FLGWKHWYDWGSNN-UHFFFAOYSA-N	323.190	3.479	10	20	DGCD	
CO[C@H](C)CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1	804840958	SQYHEBGORLUSQS-OAHLLOKOSA-N	300.402	3.201	10	20	DGCD	
Cc1cccc(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1O	814176832	VVXMVWURBJTHFM-LBPRGKRZSA-N	303.324	3.242	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@H](C)c2ccc(Cl)c(Cl)c2O)CCN1	817972045	SREHQZPIAIMDDI-BBBLOLIVSA-N	303.233	3.490	10	20	DGCD	
CC[C@@H](NC[C@@H]1NCCc2ccccc21)c1ccc(F)cc1O	817975040	QELIMCMMCJZYIW-MSOLQXFVSA-N	314.404	3.459	10	20	DGCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)c3cncs3)C2)cc1	818344132	JNHTXNBUMANEDQ-KGLIPLIRSA-N	317.458	3.329	10	20	DGCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@@H](CO)c1ccccc1	824696745	RJTQONOKUDDNNT-HNNXBMFYSA-N	309.768	3.350	10	20	DGCD	
CCOc1ccc(CNC[C@@]2(C)CC2(Cl)Cl)c(O)c1	824766349	UHARIFWADVOMIY-CYBMUJFWSA-N	304.217	3.464	10	20	DGCD	
CC[C@@H](NCc1cccc(S(C)(=O)=O)c1)c1ccccc1O	824790489	VSRQKPIPVDOJOS-MRXNPFEDSA-N	319.426	3.037	10	20	DGCD	
Oc1cc(Br)ccc1CNCCOCC1CCC1	825525683	IRNCMZVHISJNRA-UHFFFAOYSA-N	314.223	3.061	10	20	DGCD	
COc1ccc(N(C)C[C@@H](O)[C@@H](C)c2ccccc2)cc1OC	827491297	JUWBVJIBAFNVKL-WMLDXEAASA-N	315.413	3.305	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CC3(CCOCC3)C[C@H]2C)c1O	830617666	QWEOATRGANOOJC-GFCCVEGCSA-N	321.392	3.125	10	20	DGCD	
CC[C@H](N[C@H]1C[C@H]2CCCCN2C1=O)c1cc(Cl)ccc1O	834912253	BXCLSODTYVGITL-SNPRPXQTSA-N	322.836	3.240	10	20	DGCD	
COc1cc2c(c(OC)c1)N(Cc1ccncc1F)CCC2	839656387	ZVGZWNQALXYBMQ-UHFFFAOYSA-N	302.349	3.191	10	20	DGCD	
CCCSCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839920027	ZRNJNOVOOGFFOA-CQSZACIVSA-N	308.491	3.251	10	20	DGCD	
CC1(NC(=S)NCc2ccc(N3CCCC3)cc2)CCC1	840713281	LYJJPPVWBBPEQL-UHFFFAOYSA-N	303.475	3.194	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CN(C2CC2)C[C@@H]1C	840893875	NNWVPLKOMUJRQN-TWOQFEAHSA-N	315.505	3.064	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CC(C)C)OC	841385086	PEIRBVBIBFYYNG-KRWDZBQOSA-N	306.450	3.162	10	20	DGCD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCCc1ccc(N)cc1	841869846	QZHHDHNQMKOXSG-AUUYWEPGSA-N	323.440	3.434	10	20	DGCD	
CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCc1ccc(N)cc1	841955327	ZDMOBVPGWHYGJD-WMLDXEAASA-N	303.450	3.422	10	20	DGCD	
Oc1ccc2ccncc2c1CN1CC[C@@H](c2cccnc2)C1	842624343	YSRVXRSWAJHYBZ-MRXNPFEDSA-N	305.381	3.325	10	20	DGCD	
Nc1ccc(Cc2noc(CSC[C@@H]3CCCCO3)n2)cc1	843159006	KLKBXFLYCPUJDG-AWEZNQCLSA-N	319.430	3.045	10	20	DGCD	
COc1cccc([C@@H](C)N[C@H](C)Cc2c(C)noc2C)c1O	846148397	YSTLKMXTLIOAQE-GHMZBOCLSA-N	304.390	3.287	10	20	DGCD	
Cc1cc(CN2CCCC[C@H]2C(=O)O)ccc1N1CCCCC1	846225673	QFAWFAVSVRHOFS-SFHVURJKSA-N	316.445	3.424	10	20	DGCD	
CCc1cccc(CN(C)Cc2ccc(O)c(OC)c2)c1O	848881632	RKBDDXWBQZJBKO-UHFFFAOYSA-N	301.386	3.301	10	20	DGCD	
CC1(C)C[C@]1(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1	851648265	ZIRSDHPFXFAKAV-KRWDZBQOSA-N	315.442	3.235	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1CNC2	852882634	NJTDCOKMJFPURY-UHFFFAOYSA-N	323.440	3.018	10	20	DGCD	
CN(C)c1ccc(CNCc2cc(F)c(N(C)C)cc2F)cc1	858088361	AXUPABZHRNRBPO-UHFFFAOYSA-N	319.399	3.387	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](OCC)C1CC1	861561499	HRWCLJFZJIZZFZ-KRWDZBQOSA-N	305.418	3.336	10	20	DGCD	
Cc1ccc(CO[C@@H](C)C(=O)NCc2cc(C)ccc2O)cc1	862754134	RZKCSNOTRKNGQJ-HNNXBMFYSA-N	313.397	3.231	10	20	DGCD	
Cc1ccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c(O)c1	877628814	KOGVWFMLMUNXPR-RBUKOAKNSA-N	311.425	3.299	10	20	DGCD	
CCCN(Cc1ccccc1O)C[C@@H](O)CC1(O)CCCCC1	878152796	YQNNRPZGDSPSDD-KRWDZBQOSA-N	321.461	3.050	10	20	DGCD	
C[C@]12CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@H]1[C@H]1CC[C@@H]2C1	887883491	OZIXRAFOCOYPJC-PHPGGLGXSA-N	313.397	3.006	10	20	DGCD	
CC(C)N(C)CC1CCN(Cc2cc(F)cc(F)c2O)CC1	893967139	IYPALPWQUIBXEW-UHFFFAOYSA-N	312.404	3.223	10	20	DGCD	
COc1ccc(CNCCC2C[C@H](C)O[C@@H](C)C2)c(O)c1OC	894277235	GOTDLWWPEBHMPG-STQMWFEESA-N	323.433	3.093	10	20	DGCD	
Cn1nc(CNCc2cc(Cl)c(F)cc2O)cc1C1CC1	897231044	SOGKGCAYLHZCEM-UHFFFAOYSA-N	309.772	3.085	10	20	DGCD	
Cc1ncccc1CCNCc1cc(Br)ccc1O	898256659	DXTIMJXDDCCFKR-UHFFFAOYSA-N	321.218	3.190	10	20	DGCD	
O=C(O)CC[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1O	903697557	KCPDZJSLUJVBAC-NSHDSACASA-N	315.772	3.404	10	20	DGCD	
CC(=O)Nc1ccc(NC(=S)NNc2ccccc2C)cc1	915117639	RGCXVPDHTUCWOT-UHFFFAOYSA-N	314.414	3.267	10	20	DGCD	
COc1cccc(C[C@@H](C)CC(=O)NCc2ccc(N)cc2)c1	927767221	BUXMJWNDOYROGL-CQSZACIVSA-N	312.413	3.163	10	20	DGCD	
CCOc1ccc(N2CCN(CCSC(C)C)CC2)cc1	1117135589	QONIRUCNDVDMQY-UHFFFAOYSA-N	308.491	3.349	10	20	DGCD	
C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCc1ccc(N)cc1	1335736681	FSHGTIHRQCTKSH-RHSMWYFYSA-N	309.413	3.356	10	20	DGCD	
CC[C@@H](F)C(=O)N(CC)Cc1cc(Br)ccc1O	1337132453	JKBIZBTURBAPAZ-LLVKDONJSA-N	318.186	3.251	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)OC2CCCCC2)c1	1339096022	XFILQBFMDWOOBT-CHWSQXEVSA-N	321.417	3.316	10	20	DGCD	
Nc1cccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1	1580455294	HMRAGYHMSXOYBZ-UHFFFAOYSA-N	311.168	3.211	10	20	DGCD	
O=C(O)c1cc2ccccc2c(CN2CCC(F)(F)C2)c1O	1602303603	BKZKBFBXYXECEA-UHFFFAOYSA-N	307.296	3.085	10	20	DGCD	
C[C@@H]1CC2(CCC2)CN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1604685398	MYTQWXXUEXNMEO-FVOPLDGLSA-N	316.357	3.462	10	20	DGCD	
Cc1coc(CN(CC(=O)O)Cc2cc(Cl)ccc2O)c1	1607922124	UMJZLVMOQKBNJX-UHFFFAOYSA-N	309.749	3.034	10	20	DGCD	
CCOc1ccc(O)c(CNc2ccc(C(=O)O)cc2OC)c1	1610042474	FZLAAKOAJWMUKB-UHFFFAOYSA-N	317.341	3.110	10	20	DGCD	
CCCC(=O)NC1CCC(NCc2ccc(OC)c(C)c2)CC1	1752846559	FKYVMWRBSLHIFV-UHFFFAOYSA-N	318.461	3.321	10	20	DGCD	
CCN(C)c1ccc(CNCC2(C(=O)O)CCCC2)c(C)c1	1776856404	SHTVJRFJRYXQDZ-UHFFFAOYSA-N	304.434	3.186	10	20	DGCD	
CCN(CC)c1ccc(CN[C@]2(C(=O)O)CC[C@H]3C[C@H]32)cc1F	1776861121	AJAFLGYXVZYIHS-PMUMKWKESA-N	320.408	3.015	10	20	DGCD	
CCC(CC)C(=O)NCc1ccc(N2CCSCC2)cc1	58455721	WIFJNWVDODWTFR-UHFFFAOYSA-N	306.475	3.292	10	20	DGCD	
CN(Cc1cccnc1)C(=O)NCc1ccc(N2CCCC2)cc1	171738128	FQHDKHNYSLWLJY-UHFFFAOYSA-N	324.428	3.023	10	20	DGCD	
Cc1ccnc(NCc2ccc3c(c2)CCCN3C)c1[N+](=O)[O-]	301263731	FXOIQANOGYFSIQ-UHFFFAOYSA-N	312.373	3.293	10	20	DGCD	
CC[C@H](CCO)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	125447688	WQDMQOKMBWVCRB-MRXNPFEDSA-N	314.429	3.233	10	20	DGCD	
C[C@@H](c1ccccn1)N(C)C(=O)NCc1ccc(N(C)C)cc1	126768655	RJEITSYANCAMQY-AWEZNQCLSA-N	312.417	3.050	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NCCOc2ccc(C#N)cc2)c1	182408931	VKQQRSOSCRBFHJ-CYBMUJFWSA-N	312.369	3.002	10	20	DGCD	
C[C@H](NC[C@@H]1CCCOC1)c1ccc(Br)cc1O	185090239	QSYHMVJZDHNJHY-QWRGUYRKSA-N	314.223	3.232	10	20	DGCD	
C[C@H](NC[C@@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1O	185639432	TWYFLIYVLBGTQU-SDBXPKJASA-N	322.257	3.218	10	20	DGCD	
C[C@H](Nc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1O	316290106	UGDPVLVPSUZSED-NSHDSACASA-N	302.349	3.406	10	20	DGCD	
C[C@@H](NCCc1nn(C)c2ccccc12)c1cc(F)ccc1O	186478542	SGXYKLWAJXZIAW-GFCCVEGCSA-N	313.376	3.311	10	20	DGCD	
CC(=O)c1cc(F)cc(CN2CCSC(C)(C)CC2)c1O	228089179	XBAGJMIYJIJJKR-UHFFFAOYSA-N	311.422	3.451	10	20	DGCD	
CCOc1cccc(CNCCCOc2ccccc2)c1O	236928896	PMLOVOPBXVISMI-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
CC[C@@H](Oc1ccccc1C)C(=O)NCCc1ccc(N)cc1	236882871	DFNSCGQSZJNASP-QGZVFWFLSA-N	312.413	3.094	10	20	DGCD	
CC1(NCc2ccc(N3CCOCC3)cc2)Cc2ccccc2C1	92853668	BAIRUEZRGQHXBY-UHFFFAOYSA-N	322.452	3.170	10	20	DGCD	
Cc1c(CNCc2cn3ccccc3n2)n(C)c2ccccc12	355126426	RMLMSUPWKKTMJT-UHFFFAOYSA-N	304.397	3.424	10	20	DGCD	
C[C@]1(O)CCCN(Cc2ccc(N3CCCCC3)cc2)CC1	279615418	GEHNZKRGNCHYDF-IBGZPJMESA-N	302.462	3.414	10	20	DGCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)CC(C)(C)OC)c1	273465326	DQNJCAONSXECKN-NWDGAFQWSA-N	309.406	3.033	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](n3cc(Cl)cn3)C2)cc1	289987133	SDJJLNSTMPGWJP-INIZCTEOSA-N	304.825	3.050	10	20	DGCD	
C[C@H](CCO)NCc1ccc(N(C)Cc2cccs2)cc1	294958585	CJQIFHXIHQWOTR-CQSZACIVSA-N	304.459	3.245	10	20	DGCD	
COc1cc(C)c(NC(=O)c2cccc(O)c2O)c(C)c1C	805295503	HUCOFEWWPSZWQD-UHFFFAOYSA-N	301.342	3.284	10	20	DGCD	
CCOc1ccc(CN[C@H](C)[C@H](O)c2ccccc2)c(O)c1	808444550	IJUDLJLZXOKHTA-ACJLOTCBSA-N	301.386	3.003	10	20	DGCD	
CCCOc1ccc(CN(C)[C@H](CO)c2ccccc2)c(O)c1	295143469	ZYTNZSUXQPTFMC-GOSISDBHSA-N	315.413	3.346	10	20	DGCD	
C[C@@H](NCc1c(O)ccc(Cl)c1F)[C@H](O)c1ccccc1	808444722	JUOSUVGWJJIVJB-HWPZZCPQSA-N	309.768	3.396	10	20	DGCD	
COC(=O)c1cnc(SCc2ccc(N(C)C)cc2)s1	295351104	QRGZJIQPEQBWFE-UHFFFAOYSA-N	308.428	3.288	10	20	DGCD	
C[C@@H](NCCC[C@H]1CCCN1)c1cc2c(cc1O)CCCC2	817979529	BQRGSTYEFBBFFS-PBHICJAKSA-N	302.462	3.454	10	20	DGCD	
CC[C@H](N[C@@H](C)c1ncc(C(=O)OC)s1)c1ccccc1O	818355062	BBRSOCHCDKVFMA-JQWIXIFHSA-N	320.414	3.437	10	20	DGCD	
CCOCc1cc(CN[C@H](C)[C@H](C(=O)O)C(C)C)ccc1OC	819163508	KINYDQJXTNPAPB-CXAGYDPISA-N	323.433	3.067	10	20	DGCD	
CC[C@@H](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C	729297977	MDJWTODMHUMPNL-INIZCTEOSA-N	318.461	3.416	10	20	DGCD	
Cc1cc(O)c(CN[C@H](CCO)Cc2ccccc2)cc1Cl	825773482	IEWVQCAXGOTOEN-MRXNPFEDSA-N	319.832	3.437	10	20	DGCD	
CC(C)O[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	826530296	DKAGWGRPFNIYLK-WMLDXEAASA-N	319.449	3.023	10	20	DGCD	
CC1(C)CCCN1CCNCc1cc(Cl)cc(F)c1O	825325606	GCIRHQMXJRDCQD-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
C[C@H](NC(=O)N(O)Cc1ccccc1)c1ccc(N(C)C)cc1	904182386	BZSDYXBOXQMYOE-AWEZNQCLSA-N	313.401	3.415	10	20	DGCD	
CCN(CCC(=O)OC)Cc1cc(C)cc(C(C)(C)C)c1O	738098431	DSJOVVQMVPIPCM-UHFFFAOYSA-N	307.434	3.383	10	20	DGCD	
COc1ccccc1C1(CNC(=O)Cc2ccc(N)cc2)CCC1	832020751	GPDFOXKKBHNYBY-UHFFFAOYSA-N	324.424	3.058	10	20	DGCD	
CN(c1ccc(CNC(=O)c2ncccn2)cc1)C1CCCCC1	735877743	KNYSIPMKIUNZTA-UHFFFAOYSA-N	324.428	3.176	10	20	DGCD	
CC[C@H]1CC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1	839145536	PZQWGNRCRKCODF-BBRMVZONSA-N	310.388	3.080	10	20	DGCD	
CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(N(C)CC)cc1)C(C)C	834878514	DVCFFXRINCWGED-YJBOKZPZSA-N	319.493	3.296	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC1CCN(c2ccncc2)CC1	838952315	VIBULIFPAURFSD-UHFFFAOYSA-N	324.472	3.215	10	20	DGCD	
Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)C[C@@H](C)N)c1C	843505001	SUYZHJBCJOXFKO-ZIAGYGMSSA-N	313.445	3.258	10	20	DGCD	
C[C@@H](NCc1cccc(Cl)c1O)[C@@H]1C[C@H](C(=O)O)C1(C)C	848641157	ZIJXQFZDTKGOIA-ADEWGFFLSA-N	311.809	3.271	10	20	DGCD	
Cc1cc(C)c2c(N)c(C(=O)OCc3cscn3)sc2n1	749821826	PZNMFIWEUVZUKD-UHFFFAOYSA-N	319.411	3.309	10	20	DGCD	
C[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1O	848558307	LGICOAGQZZSTMI-MEDUHNTESA-N	314.360	3.135	10	20	DGCD	
Nc1ccc(CCNCc2c(F)cccc2N2CCCC2)cc1	841034428	AWUHRZOPHBHHIX-UHFFFAOYSA-N	313.420	3.340	10	20	DGCD	
CCOc1cccc(CN2CCC[C@H]2[C@@H]2CCCOC2)c1O	843415906	FAHHJNPLMLMLKX-CVEARBPZSA-N	305.418	3.182	10	20	DGCD	
CCN(CC(=O)NCCC(C)(C)C)c1ccc(OC)c(OC)c1	921061400	DXFZEPQSXRCWPT-UHFFFAOYSA-N	322.449	3.083	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)[C@H](O)c1cccc(F)c1	840935293	KSKLCJGXTSSDSJ-KUHUBIRLSA-N	316.420	3.412	10	20	DGCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)COCC(F)(F)F	840931112	SMIHSDUSLFMXQA-GFCCVEGCSA-N	304.356	3.118	10	20	DGCD	
CN(CC(=O)Nc1cccc(Cl)c1)c1ccc2c(c1)OCO2	756646252	TXJGHTDCMXKERB-UHFFFAOYSA-N	318.760	3.144	10	20	DGCD	
CCSCCOC(=O)c1csc(Cc2ccc(N)cc2)n1	751930185	BBEILLGFURJYIN-UHFFFAOYSA-N	322.455	3.226	10	20	DGCD	
CCc1ccc(C(=O)NCc2cc(Cl)ccc2O)c(O)c1	857548572	OOSISRVXIRELAC-UHFFFAOYSA-N	305.761	3.244	10	20	DGCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2C[C@](C)(OC)C2(C)C)c1	756625385	KAAFRRRCVLKHEO-POHZPAGDSA-N	321.417	3.033	10	20	DGCD	
CN1CCCc2cc(CNC(=O)NC(C)(C)C3CC3)ccc21	757196331	VASLBQZGPJQRRU-UHFFFAOYSA-N	301.434	3.057	10	20	DGCD	
CCOc1ccc(CN(C)CCOc2ccc(F)cc2)c(O)c1	768213256	PHGJYFHTQJCMDL-UHFFFAOYSA-N	319.376	3.441	10	20	DGCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CC(F)(F)F)c1	766655512	CWGDUCVSNBIKPI-BDAKNGLRSA-N	320.311	3.102	10	20	DGCD	
CSc1ccc(C)c(C(=O)NCCc2ccc(O)c(O)c2)c1	768901276	YUHGJMOTPLBFMM-UHFFFAOYSA-N	317.410	3.101	10	20	DGCD	
COCCC1CCN(Cc2c(O)ccc3ccncc23)CC1	863270513	KHZAIHXYSMDJFJ-UHFFFAOYSA-N	300.402	3.189	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC3(CCCCC3)C2)cc1	760600066	WZUAYVSYNJWLLV-UHFFFAOYSA-N	301.434	3.228	10	20	DGCD	
CN(C)c1cc(F)c(CNc2ccc([S@@](C)=O)cc2)cc1F	1118858320	GCQNDSCIDKVIBH-JOCHJYFZSA-N	324.396	3.380	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N(C1CCCCC1)C1CC1	779501904	ZRZFLXMHIDVFET-XFFZJAGNSA-N	301.386	3.435	10	20	DGCD	
C[C@@H](NCCCOC(C)(C)C)c1ccc(N2CCOCC2)cc1	775258238	VBGIGYCXQADBPO-MRXNPFEDSA-N	320.477	3.379	10	20	DGCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCO[C@H](C)C1	770230502	SGINKCAXXYEBQX-ZIAGYGMSSA-N	318.442	3.453	10	20	DGCD	
CO[C@@H](C(=O)Nc1c(Cl)ccc2nonc12)c1ccccc1	1128704559	PEXBTDAOQUGDMS-CQSZACIVSA-N	317.732	3.202	10	20	DGCD	
CCOC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1O	775642370	GGTCRCOBELXBHU-ZDUSSCGKSA-N	315.772	3.102	10	20	DGCD	
C[C@@H](NCc1cccnc1N1CCCC1)c1c(O)cccc1F	886636716	SXWXZQXPEYRIFG-CYBMUJFWSA-N	315.392	3.377	10	20	DGCD	
Oc1cccc(Cl)c1CN1CCO[C@H](Cc2ccccc2)C1	776693466	UCTGGDVYPTZGLG-OAHLLOKOSA-N	317.816	3.489	10	20	DGCD	
CCNC(=O)c1cccc(CN[C@H](C)c2c(O)cccc2F)c1	886514635	VFEMGCNXPNHHGT-GFCCVEGCSA-N	316.376	3.132	10	20	DGCD	
COc1cccc(CN[C@H](C(C)C)[C@@H](O)c2ccccc2)c1O	788538477	MYRRTXIDIXTQMI-MJGOQNOKSA-N	315.413	3.249	10	20	DGCD	
CCC[C@@H](NC(=O)c1cc(O)cs1)[C@H](O)c1ccccc1	792683245	RUPHJUZTFCSOLJ-UKRRQHHQSA-N	305.399	3.086	10	20	DGCD	
CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(N2CCCCC2)cc1	793241377	NIKSZCCKMRFGAX-YJBOKZPZSA-N	318.461	3.354	10	20	DGCD	
CN(C)c1ccc(CNC(=S)Nc2ccsc2)cc1F	790313636	REEGTGIHKFDFOJ-UHFFFAOYSA-N	309.435	3.440	10	20	DGCD	
COc1ccc(CNC(=O)[C@H](C)Cc2ccc(F)cc2)c(O)c1	794390713	PAADDLNATIMAOX-GFCCVEGCSA-N	317.360	3.035	10	20	DGCD	
Cc1ccccc1-c1nc(CNCc2ccc3c(c2)CCO3)no1	792175820	WZUYLGRFWYCGNT-UHFFFAOYSA-N	321.380	3.270	10	20	DGCD	
CCC(C)(C)CC(=O)NCCCNCc1ccc(OC)c(C)c1	1158816071	OVVZVYCCTAIILI-UHFFFAOYSA-N	320.477	3.426	10	20	DGCD	
COc1cc(O)c(CN(C)[C@H]2CC[C@H](SC)C2)cc1OC	1319798295	GYOZZKCQPPTATP-STQMWFEESA-N	311.447	3.125	10	20	DGCD	
CC[C@H](NCc1c(O)nnc(C)c1C)c1ccc(C)cc1O	1326872623	ANHFMOXYEUAQSB-HNNXBMFYSA-N	301.390	3.054	10	20	DGCD	
c1cc(N2CCCC2)ccc1CNc1cnc2c(c1)COCC2	1320094954	OGDUISHCLJMRHP-UHFFFAOYSA-N	309.413	3.367	10	20	DGCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cc(Cl)ccc1F	790068132	MXSQDXFGEZIPTB-UHFFFAOYSA-N	319.716	3.125	10	20	DGCD	
CCc1cccc(CNCCCCC2(C(=O)O)CCC2)c1O	1605829089	YCXNWJIYMCFSSR-UHFFFAOYSA-N	305.418	3.469	10	20	DGCD	
C[C@H](N[C@H](C(=O)O)c1ccsc1)c1ccc(N(C)C)cc1	1609778270	YKHCGBQDGBZDPJ-NHYWBVRUSA-N	304.415	3.291	10	20	DGCD	
CCOc1cccc(CN[C@@H](CC2CCCCC2)C(=O)O)c1O	1597155237	JIMVDLKINHPFNE-HNNXBMFYSA-N	321.417	3.304	10	20	DGCD	
Cc1ccc(O)c(CN2CCN(c3ccccc3F)CC2)c1	155986976	AZNZXHCSPAZHHK-UHFFFAOYSA-N	300.377	3.162	10	20	DGCD	
CCCOc1ccc(CN(C)[C@@H]2CCN(CC)C[C@@H]2C)c(O)c1	93639400	JFGBYZKUDBPBRK-MAUKXSAKSA-N	320.477	3.343	10	20	DGCD	
COc1cccc(CNC(=O)/C=C(/C)c2ccc(F)cc2)c1O	105649439	CIRCBKQYYRXHTG-BENRWUELSA-N	315.344	3.260	10	20	DGCD	
Cc1ccc(CCNCc2ccc(N3CCOCC3)cc2)cc1	116361167	HQRDKCSTLZFRFC-UHFFFAOYSA-N	310.441	3.164	10	20	DGCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@H]2CCCC[C@@H]2C1	122567127	ANKLZPFJQRYAFO-OAGGEKHMSA-N	317.429	3.363	10	20	DGCD	
C[C@@H]1CC[C@@H](CC(=O)N2CCOc3cc(N(C)C)ccc32)C1	132482368	FOMLPAOJANRBLM-ZIAGYGMSSA-N	302.418	3.304	10	20	DGCD	
CC(C)CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	145530337	SCKFBIVAEITXPK-OAHLLOKOSA-N	304.434	3.137	10	20	DGCD	
CCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)C(C)C	171129062	SLIBJSLIZOPDNA-UHFFFAOYSA-N	319.449	3.104	10	20	DGCD	
Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(O)c1O	177668453	SZDIPXIYICFYBY-UHFFFAOYSA-N	311.381	3.426	10	20	DGCD	
Oc1ccc(F)cc1CN1CCC(OC[C@H]2CCCCO2)CC1	180243486	CWBIEFLAUQBSTI-QGZVFWFLSA-N	323.408	3.081	10	20	DGCD	
COc1ccc(O)c(CN(C)Cc2cc(F)c(F)c(F)c2)c1	181012313	JBWRSUINZBBIPQ-UHFFFAOYSA-N	311.303	3.450	10	20	DGCD	
Cc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)n1	184153264	BQNQDRHHYUDFJW-UHFFFAOYSA-N	310.401	3.312	10	20	DGCD	
CCOc1cccc(CNC2CCN(C(C)(C)C)CC2)c1O	236921326	DNXPSBLLKZWCRR-UHFFFAOYSA-N	306.450	3.143	10	20	DGCD	
CCCn1c(C)nnc1CN(CC)c1ccc(OCC)cc1	270696847	BCPIHQWFERNKIZ-UHFFFAOYSA-N	302.422	3.422	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(CC1CCC1)CC1CC1	279998673	JYRTWAJDPYSFLF-VQHVLOKHSA-N	301.386	3.150	10	20	DGCD	
CC1CCN(c2ccc(CNC(=O)N[C@@H](C)CF)cc2)CC1	287510252	FJCZRBVJSJZXEF-AWEZNQCLSA-N	307.413	3.080	10	20	DGCD	
Cc1cccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1O	289456719	NWNQKUOESNTGGI-ZDUSSCGKSA-N	310.397	3.436	10	20	DGCD	
Oc1ccc(F)cc1CN[C@@H]1CCN(c2ccccc2F)C1	292771817	KLYGYVWNSOEMLZ-CQSZACIVSA-N	304.340	3.039	10	20	DGCD	
Oc1ccccc1CN(CCC1CCOCC1)C[C@@H]1CCCO1	292889875	JCNCCUJFYGQMNE-SFHVURJKSA-N	319.445	3.190	10	20	DGCD	
COc1ncc(CNCc2cc(C)c(C)cc2O)cc1Cl	294932568	GHXFURHWSCRQNN-UHFFFAOYSA-N	306.793	3.356	10	20	DGCD	
C[C@](O)(CN[C@@H]1CCc2cccc(O)c21)c1ccc(F)cc1	296877234	OBRHNVPBDITBLP-QAPCUYQASA-N	301.361	3.016	10	20	DGCD	
O=C(O)/C=C/c1ccc(N2CCC3(CCC3)C2)c([N+](=O)[O-])c1	380397384	LVNNKDZRNXEXML-HWKANZROSA-N	302.330	3.073	10	20	DGCD	
CC[C@@H](NCC1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O	397788721	AABMZCCFBRUTSL-OAHLLOKOSA-N	320.433	3.300	10	20	DGCD	
O=C(/C=C/c1cncc(F)c1)N1C[C@@H]2CCCN2c2ccccc21	491531689	HXKKDEPRHOKHQF-WAVCKPEOSA-N	323.371	3.250	10	20	DGCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)c2ccco2)c1	528859016	FUEOKLSJDFVDRD-NWDGAFQWSA-N	303.358	3.365	10	20	DGCD	
COc1cc(CN(C)Cc2nccn2C)c(O)c(C(C)(C)C)c1	732475756	MTXLDULYUASLLH-UHFFFAOYSA-N	317.433	3.064	10	20	DGCD	
Cc1ccc([C@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)o1	742597034	JHUFLCPYPWWODQ-LBPRGKRZSA-N	304.365	3.213	10	20	DGCD	
COc1cccc(OCCN(C)c2ccc(OC)c(OC)c2)c1	751965126	JKPQBSPBGZCIEU-UHFFFAOYSA-N	317.385	3.228	10	20	DGCD	
Cc1ccc2nc(CN[C@@H](C)c3cc(F)cc(F)c3O)cn2c1	756533097	GUOYPHADIGWSAS-NSHDSACASA-N	317.339	3.477	10	20	DGCD	
C[C@H]1C[C@H](NCCN(C)CC(F)(F)F)c2c(O)ccc(F)c21	756568407	DSNPPJMIGDZZQD-ONGXEEELSA-N	320.330	3.163	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1cc(Br)ccc1O)C(C)C	756628568	WISXNNGTXOWHFM-HZMBPMFUSA-N	316.239	3.476	10	20	DGCD	
C[C@@H](NC[C@H]1CSCCS1)c1cc(F)cc(F)c1O	756640158	KEDTYSXKICRMOF-SCZZXKLOSA-N	305.415	3.170	10	20	DGCD	
CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1(C)C	756788830	DBHIUPVRDSPCRE-KTJYFRGRSA-N	308.378	3.011	10	20	DGCD	
CCCCC[C@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O	761573619	DBKLYLMLQGGSKI-XJKSGUPXSA-N	317.433	3.314	10	20	DGCD	
O=C(C=C1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1	762805555	LMDQCDTZZQJRNR-KRWDZBQOSA-N	315.413	3.400	10	20	DGCD	
C[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccco1	765732043	OTOZMOLKEABITM-SECBINFHSA-N	324.174	3.168	10	20	DGCD	
Oc1ccccc1CN(Cc1ccco1)C[C@H]1CCCOC1	768542186	OHHMBKMNSDTTGB-OAHLLOKOSA-N	301.386	3.414	10	20	DGCD	
CCOc1ccc(O)c(CN(C)Cc2csc(CC)n2)c1	769127326	XHQCPKDRCUGUSA-UHFFFAOYSA-N	306.431	3.442	10	20	DGCD	
Cc1noc(C)c1CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773013436	YFCPWFKDBOVKMI-GFCCVEGCSA-N	315.417	3.167	10	20	DGCD	
CCN(CC)C(=O)CN[C@@H](C)c1cc(Cl)c(Cl)cc1O	774142072	XOMFUYSUUKGWFV-VIFPVBQESA-N	319.232	3.218	10	20	DGCD	
C[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)N1CCCCCC1	775403424	IPZSHAKUYVURNS-CVEARBPZSA-N	317.477	3.194	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](F)Cc1ccccc1	777981603	NXMUNQYRXNQYTA-SFHVURJKSA-N	314.404	3.258	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H]1CCCOC1	780861657	UFSMYTKYDOVCSI-GDBMZVCRSA-N	320.433	3.129	10	20	DGCD	
COC[C@H](NCCCSc1nccs1)C1CCCC1	783245525	NZKHYDGZGKALDM-ZDUSSCGKSA-N	300.493	3.420	10	20	DGCD	
Oc1cc2c(cc1CN1CCC=C(c3ccccc3)C1)[C@H](O)CO2	789545226	FJOLYZYIHPTHOK-LJQANCHMSA-N	323.392	3.107	10	20	DGCD	
Cc1cc(O)c(CN2CC[C@@H](N3CCCC3=O)C2)cc1C(C)C	790455281	ZCPWKNNDXGQTMS-MRXNPFEDSA-N	316.445	3.021	10	20	DGCD	
CC[C@@](C)(CO)NCc1ccc(N(C)C)cc1C(F)(F)F	793042910	OTVLTKRBTDLHAP-AWEZNQCLSA-N	304.356	3.022	10	20	DGCD	
COc1ccc(CNCc2c[nH]nc2-c2ccsc2)c(O)c1	793387641	JHZCQFRYTVUEOR-UHFFFAOYSA-N	315.398	3.142	10	20	DGCD	
CO[C@@H]1CCC[C@H](CC(=O)NCc2ccc(N(C)C)cc2C)C1	793512171	AHNVGFVNRSQUEC-MAUKXSAKSA-N	318.461	3.273	10	20	DGCD	
CC[C@@H]1C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O	805435605	LJYLPWLTUYHHPO-RDDDGLTNSA-N	303.189	3.297	10	20	DGCD	
COc1cccc(CNCc2cc(Cl)cc(F)c2O)c1O	809739274	FCKLQTUSUHXDKH-UHFFFAOYSA-N	311.740	3.189	10	20	DGCD	
CCN(CC)c1ccc(CN2CC[C@@H](n3cc(C)cn3)C2)cc1	811520062	JBQUVJMGJYASRL-LJQANCHMSA-N	312.461	3.485	10	20	DGCD	
Cn1cc(C[C@H]2CCN(Cc3ccc4ccccc4c3O)C2)cn1	816519454	JQLGHNRRXSYVGH-OAHLLOKOSA-N	321.424	3.344	10	20	DGCD	
CN1CCN(Cc2cc(Cl)ccc2O)c2ccccc2C1	816617781	IPHWVGUQXNXEFO-UHFFFAOYSA-N	302.805	3.498	10	20	DGCD	
CCc1nc2c(s1)[C@@H](NCCc1ccc(N)cc1)CCC2	817956086	QHPCESGKXSBKNO-AWEZNQCLSA-N	301.459	3.497	10	20	DGCD	
CC[C@@H](NC[C@@H](N)C1CC1)c1ccc(C(F)(F)F)cc1O	817965378	PVDCGRABTMDXCS-CHWSQXEVSA-N	302.340	3.189	10	20	DGCD	
C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)c1ccccc1O	827930349	HOIWEQGDROQGHU-CRAIPNDOSA-N	324.424	3.234	10	20	DGCD	
C[C@H](CCC1CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1	839146209	ZFBJNCCVRBYZLY-CYBMUJFWSA-N	324.415	3.470	10	20	DGCD	
Nc1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc1	841300812	VMMOUHZRNBLCQC-MRXNPFEDSA-N	310.401	3.059	10	20	DGCD	
C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCCc1ccc(N)cc1	841961029	ZIQHNYBROYIVEL-FRFSOERESA-N	301.434	3.174	10	20	DGCD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NCCc2ccc(N)cc2)C1	841963354	ZKBNMZVDAFPVJN-QFBILLFUSA-N	315.461	3.422	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2nc3c(s2)CCC3)c1	845970968	GHBVFZPDWXZXOE-JTQLQIEISA-N	304.415	3.197	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cccc(CN(C)C)c2)c1O	846138715	MXRDPCZAXAORPH-CQSZACIVSA-N	314.429	3.313	10	20	DGCD	
CCc1noc(CC)c1CN[C@@H](C)c1cccc(OC)c1O	846151326	WEHILGKLNBYAAX-NSHDSACASA-N	304.390	3.364	10	20	DGCD	
Cc1cc(C)c([C@H](C)NC[C@H]2CCCN2CC(F)F)c(O)c1	858478705	AIVVDRIHRNUGEJ-UONOGXRCSA-N	312.404	3.389	10	20	DGCD	
COc1cccc(CNC(=O)NCc2cc(C)ccc2O)c1C	858625137	OQINCNIZWUCUMF-UHFFFAOYSA-N	314.385	3.017	10	20	DGCD	
CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H]2C(=O)O)cc1F	864525529	DCDDHMRCXQJHIP-DZGCQCFKSA-N	308.397	3.015	10	20	DGCD	
CCCOc1ccc(CNC[C@@H]2CC(=O)N(CCC)C2)cc1C	873132025	DJDRHZPWBPUEDE-KRWDZBQOSA-N	318.461	3.132	10	20	DGCD	
C[C@@H](NCc1cc(F)cc(F)c1O)[C@@H]1CCCN(C2CCC2)C1	883085166	KGOKKKSHFVCPSP-CHWSQXEVSA-N	324.415	3.413	10	20	DGCD	
COCC[C@@H](C)CNCc1cc(Br)cc(F)c1O	883146041	XOKXGEIILOXMBD-SECBINFHSA-N	320.202	3.056	10	20	DGCD	
CCOc1ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)c(O)c1	922703411	VRLXSIVCQIAUFU-CYBMUJFWSA-N	313.397	3.404	10	20	DGCD	
Cc1ccc(CC(=O)Nc2c(Cl)ccc3nonc23)cc1	1256175537	NEMWTTODCRXOPA-UHFFFAOYSA-N	301.733	3.366	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2CCCC[C@@H]2C1	1320031954	UMVDVDYBMPFVOJ-VKGGURKZSA-N	301.386	3.150	10	20	DGCD	
CCN(Cc1ccc(N2CCCC2)cc1)C[C@H](O)C(F)(F)F	1320774828	IGPWBJNKZUVJQE-HNNXBMFYSA-N	316.367	3.032	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1cc(OCC(F)F)ccn1)CC2	1326623727	TYHOTPRIYVKXCY-AWEZNQCLSA-N	320.339	3.208	10	20	DGCD	
CCOc1ccc(N2CCN(c3cc(C4CC4)ncn3)CC2)cc1	1331323005	XAFBTGVQHPZPTB-UHFFFAOYSA-N	324.428	3.079	10	20	DGCD	
C/C(=C/c1cccnc1)C(=O)N(CCC(=O)O)c1ccccc1C	1589005584	JWVPZGGOUJEHMY-QINSGFPZSA-N	324.380	3.301	10	20	DGCD	
CN(Cc1ccccc1O)[C@H](C(=O)O)c1ccccc1Cl	1598530630	OXRNCPTZEJNBFP-HNNXBMFYSA-N	305.761	3.303	10	20	DGCD	
CCOc1ccccc1CN(C)c1ccc(OCC(=O)O)cc1	1605714485	HMXBOJYQCWXTIT-UHFFFAOYSA-N	315.369	3.185	10	20	DGCD	
Cc1cc(C)c(C(=O)O)cc1NCc1cc2c(cc1O)OCO2	1610450227	WODGOUOCRNDOCJ-UHFFFAOYSA-N	315.325	3.048	10	20	DGCD	
COc1ccc(SCC(=O)N(C)c2ccc(N)cc2)cc1	37285645	KSHGBTLLHNOTBS-UHFFFAOYSA-N	302.399	3.033	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H]2C2CC2)cc1	89972508	HTMCSQAUKHMIIX-IBGZPJMESA-N	324.424	3.345	10	20	DGCD	
Cc1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)oc1C	109761771	BGZSZSIJJJSJEF-MRXNPFEDSA-N	316.401	3.178	10	20	DGCD	
COCCOc1ccc(NCc2c(O)cccc2Cl)cn1	127267408	NEHVHFRMKAPWKS-UHFFFAOYSA-N	308.765	3.078	10	20	DGCD	
CCOC(=O)CC1CCN(Cc2cc(C)c(C)cc2O)CC1	129772276	VEUPCUROFWUSHQ-UHFFFAOYSA-N	305.418	3.174	10	20	DGCD	
CCN(CC)c1ccc(CNC[C@H](C)Cn2ccnc2)cc1F	152117018	HKBHINADQORKID-HNNXBMFYSA-N	318.440	3.294	10	20	DGCD	
CN(CC(=O)OC(C)(C)C)Cc1c(O)ccc2ccccc12	152128546	MTKUOEORWOQHLR-UHFFFAOYSA-N	301.386	3.319	10	20	DGCD	
CCSCC[C@@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	180834010	UXCVMRNBWXAHNZ-WAFBPQNNSA-N	309.431	3.101	10	20	DGCD	
CC(C)(C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	248241343	FCNJFFMVVURZKV-OAHLLOKOSA-N	305.418	3.336	10	20	DGCD	
Cc1cc(C(=O)N[C@@H]2CCO[C@@H](C)C2)c(C)n1-c1ccccc1	271397662	JPQVWKNJWKVOIM-GOEBONIOSA-N	312.413	3.391	10	20	DGCD	
CC[C@H](NCc1ncnn1C(C)(C)C)c1ccc(F)cc1O	287486634	NBKBDMARTBAQAM-ZDUSSCGKSA-N	306.385	3.119	10	20	DGCD	
Oc1cccc2c1[C@@H](NCc1ccnc(N3CCCC3)c1)CC2	295809529	CRCUZYHBXWSSBL-INIZCTEOSA-N	309.413	3.165	10	20	DGCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC1([S@@](C)=O)CCC1	393699521	YRYCNNUFIHIOQP-SQHYZVFZSA-N	307.459	3.140	10	20	DGCD	
CO[C@@H]1CCCN(Cc2c(O)cccc2Br)CC1	707151496	DUCNGNLIIMODRT-LLVKDONJSA-N	314.223	3.156	10	20	DGCD	
Oc1cccc2c1[C@@H](NC[C@@H]1CCN1Cc1ccccc1)CC2	716235155	AQBDXASHHYOYIV-ROUUACIJSA-N	308.425	3.244	10	20	DGCD	
CCOc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1	734402853	QNWLZPWFGJHCST-UHFFFAOYSA-N	312.413	3.390	10	20	DGCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2C)c2n[nH]cc2c1	734468476	XRCDWDAHKGWTTP-UHFFFAOYSA-N	322.412	3.176	10	20	DGCD	
CCCN(Cc1ccccc1O)[C@@H]1CCN(c2ccccc2)C1=O	743870491	UFXLLKHRDBAZSO-GOSISDBHSA-N	324.424	3.410	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CNC[C@H](O)c1ccco1	747098826	YEIJHXMSXSDLSO-SFHVURJKSA-N	309.365	3.475	10	20	DGCD	
Cc1noc(C)c1NC(=O)c1cc(C)n(-c2ccccn2)c1C	748728822	SXMSUQNWUIPNPF-UHFFFAOYSA-N	310.357	3.346	10	20	DGCD	
CCn1nc(C)c(CN[C@H](C)c2cc(F)cc(F)c2O)c1C	756535625	NTAOAKRXJIRIMH-SECBINFHSA-N	309.360	3.354	10	20	DGCD	
COc1cccc(CN2CCN(CC3CCCCC3)CC2)c1O	768241608	XMPLOKGCHZUJAF-UHFFFAOYSA-N	318.461	3.099	10	20	DGCD	
COC[C@H]1CCCCN(Cc2cc(Cl)cc(F)c2O)C1	768539912	DVHIHPVNNVVPSJ-NSHDSACASA-N	301.789	3.433	10	20	DGCD	
CC[C@H](N[C@@H](C)CC[S@@](C)=O)c1cc(Cl)ccc1O	775527828	UQUBYWKNHQHMOK-WSHAHDTKSA-N	303.855	3.243	10	20	DGCD	
Oc1ccc(F)cc1CN1CCc2c(cnn2-c2ccccc2)C1	778999544	HBPWQLKLHVKNLD-UHFFFAOYSA-N	323.371	3.275	10	20	DGCD	
O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(O)c1O	783852937	YGELKWWMBRQPME-CABCVRRESA-N	311.381	3.239	10	20	DGCD	
Cc1cc(C)c([C@H](C)NCCCN2CCCO[C@@H](C)C2)c(O)c1	788783717	NSFRFCACQFUTFO-IRXDYDNUSA-N	320.477	3.161	10	20	DGCD	
O=C(c1cccc(O)c1O)N1CC2(CCC2)c2c(F)cccc21	790627710	VZCCHTPIQZDSDD-UHFFFAOYSA-N	313.328	3.319	10	20	DGCD	
CC(C)n1cc2cc(NC(=O)c3cccc(O)c3O)ccc2n1	790730457	QFBFPGIEEYNTLC-UHFFFAOYSA-N	311.341	3.281	10	20	DGCD	
CC[C@@H](N[C@H](CO)Cc1ccccc1)c1ccc(F)cc1O	796780343	RAUHJRUXKGZQTN-DOTOQJQBSA-N	303.377	3.176	10	20	DGCD	
COc1ccc(CNC(=O)Nc2cccc(C)c2F)c(O)c1	797640696	UFOLUJQEFKHHFC-UHFFFAOYSA-N	304.321	3.170	10	20	DGCD	
CCOc1ccc(CN[C@@H](C)[C@@H](O)c2ccccc2)c(O)c1	808444552	IJUDLJLZXOKHTA-SCLBCKFNSA-N	301.386	3.003	10	20	DGCD	
CC(C)CN(CCN(C)C)Cc1cc(Cl)c(F)cc1O	816610340	HKAUEGXANPHVTP-UHFFFAOYSA-N	302.821	3.204	10	20	DGCD	
CCC[C@@H](C)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	822580161	QXBYJLAZPYHJQZ-HUUCEWRRSA-N	319.449	3.009	10	20	DGCD	
CC1CCC(O)(CNCc2cc(Cl)cc(F)c2O)CC1	827949279	LSJPRBIGOQECBQ-UHFFFAOYSA-N	301.789	3.216	10	20	DGCD	
Cc1cc(CN2CC[C@@H]([C@@H](C)O)C2)ccc1N1CCCCC1	828755378	MTLCKXBVQHLDIB-SJLPKXTDSA-N	302.462	3.188	10	20	DGCD	
CC1CCC2(CC1)OC[C@H](CN[C@H]1CCc3cccc(O)c31)O2	834736935	BSJXPDJKGZDKBZ-ZAKOAHRUSA-N	317.429	3.291	10	20	DGCD	
C[C@H]1C[C@H](NC2C[C@@H]3CC[C@H](C2)N3C)c2c(O)ccc(F)c21	834891804	JLWKUFLMGFCRAN-JXODSGKVSA-N	304.409	3.294	10	20	DGCD	
COc1ccc(N(CC2CC2)C(=O)/C=C/c2cncc(O)c2)cc1	836840786	RZZWZJNQKXSHHH-RUDMXATFSA-N	324.380	3.252	10	20	DGCD	
CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)[C@H](C)O	836860678	YVBXXXYZXGUDGP-SUMWQHHRSA-N	318.392	3.122	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1ccoc1	840268229	PCDWMCAKPSCSQP-CQSZACIVSA-N	315.417	3.084	10	20	DGCD	
CCN(CC)c1ccc(CN(C)CCC2CCNCC2)cc1	844221088	UCMOCUWDRNEZFE-UHFFFAOYSA-N	303.494	3.354	10	20	DGCD	
CCOc1ncccc1CN[C@@H](C)c1cccc(OC)c1O	846139043	OQTQUFDIZZVJKF-LBPRGKRZSA-N	302.374	3.045	10	20	DGCD	
COc1cccc([C@@H](C)NCc2cccc(NC(C)=O)c2)c1O	846139945	BWPXKSLTUNWGDL-GFCCVEGCSA-N	314.385	3.210	10	20	DGCD	
C[C@@H](CNCc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C	848925928	IIASLYQWRLIISY-VIFPVBQESA-N	317.788	3.252	10	20	DGCD	
CCCC(=O)c1ncccc1NCc1cccc(OC)c1O	853259146	RRSYMBNXJWXVHW-UHFFFAOYSA-N	300.358	3.391	10	20	DGCD	
CN(C)CCCC(C)(C)NCc1cc(F)c(N(C)C)cc1F	858172428	UIYXYRSRLUNIGO-UHFFFAOYSA-N	313.436	3.241	10	20	DGCD	
COC(=O)CC1CCC(N[C@@H](C)c2cc(OC)ccc2O)CC1	862369040	SDIVFRNIZLKLQX-HSBZDZAISA-N	321.417	3.173	10	20	DGCD	
Cc1cc(O)c(CNCc2cc3c(nc2O)CCCC3)cc1C	865879002	GEWDUHNTOUKARS-UHFFFAOYSA-N	312.413	3.278	10	20	DGCD	
CC(C)N(Cc1ccc(N2CCC(O)CC2)cc1)C1CCC1	876758422	IUGKROCVUCSIFM-UHFFFAOYSA-N	302.462	3.411	10	20	DGCD	
CC[C@@](C)(CNCc1ccc(N2CCSCC2)cc1)OC	876944078	XRKSZHJNIBMESK-KRWDZBQOSA-N	308.491	3.145	10	20	DGCD	
Cc1ccc(CN2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)c(O)c1	877505194	YKFLWMJVVSKKRP-IAGOWNOFSA-N	309.413	3.254	10	20	DGCD	
COc1ccc(COCCN[C@H](C)c2c(O)cccc2F)cc1	886542737	FFJYWRHVPKULAW-CYBMUJFWSA-N	319.376	3.407	10	20	DGCD	
CCOc1ccc(NCc2ccc(OC)c(OC)c2O)cc1	892252932	SRHJFWKOQFBHMX-UHFFFAOYSA-N	303.358	3.420	10	20	DGCD	
C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@]1(C)C(=O)O	901543353	WWGAZWAEPNFRDG-DNVCBOLYSA-N	316.445	3.220	10	20	DGCD	
c1cc(N2CCCC2)ccc1CN1CCOCC2(CCC2)C1	1320180866	FDVOCTVGLNOEJX-UHFFFAOYSA-N	300.446	3.289	10	20	DGCD	
Cc1cncc(/C=C\C(=O)Nc2c(Cl)ccc3nonc23)c1	1323420839	ZEDLYWRTIMVNDO-DJWKRKHSSA-N	314.732	3.232	10	20	DGCD	
CCN(CC)C(=O)CCC1CCN(Cc2ccc(N)cc2)CC1	1356083414	PBNCRXRIGIOJAK-UHFFFAOYSA-N	317.477	3.129	10	20	DGCD	
C[C@@H]1CCc2c(C(=O)NCc3cccc(O)c3O)csc2C1	1521851648	OYAXAMCKSIGUNQ-SNVBAGLBSA-N	317.410	3.214	10	20	DGCD	
Cc1ccc(C)c(C(=O)CSc2ncc(C(=O)O)s2)c1	1610496400	OGHBCLULRJUTFN-UHFFFAOYSA-N	307.396	3.433	10	20	DGCD	
Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nccs1	48874308	ULJIZCFKXDEJAM-UHFFFAOYSA-N	309.372	3.091	10	20	DGCD	
CCCc1nc(C)c(C(=O)N(C)Cc2ccccc2O)s1	53916280	YJFQVMKPYIWTQD-UHFFFAOYSA-N	304.415	3.382	10	20	DGCD	
CCCCCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	65560683	LQBFKABCKKBRBQ-OAHLLOKOSA-N	304.434	3.281	10	20	DGCD	
CCC[C@@](C)(NCc1cc(Cl)cc(Cl)c1O)C(=O)O	86732423	YGWLJEIMXWLBPW-CYBMUJFWSA-N	306.189	3.432	10	20	DGCD	
CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2ccccn2)c1O	91701814	WLALYMNPRNDYIK-LLVKDONJSA-N	302.349	3.322	10	20	DGCD	
CCCN(CC(F)F)C(=O)NCc1ccc(N2CC=CC2)cc1	128013340	KFTYFRXRKPIBFK-UHFFFAOYSA-N	323.387	3.250	10	20	DGCD	
CN(C)c1ccc(CNC(=O)Cc2cccc(F)c2F)cc1F	129313319	DFAQDJJJAWDMFK-UHFFFAOYSA-N	322.330	3.029	10	20	DGCD	
CCOc1ccc(O)c(CNc2cccc(-c3ncn(C)n3)c2)c1	153547027	LWVMMSUGLXTOIG-UHFFFAOYSA-N	324.384	3.199	10	20	DGCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@]12CCCc1ccccc12	158960864	RASSULMNMISRQV-OXJNMPFZSA-N	323.392	3.008	10	20	DGCD	
CCn1c([C@@H](C)NC(=O)Cc2ccc(N)cc2)nc2ccccc21	166301761	PLVWZZPXDIAQEZ-CYBMUJFWSA-N	322.412	3.058	10	20	DGCD	
Cc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1	173201230	CSOJLLRJTBHGPV-UHFFFAOYSA-N	310.397	3.029	10	20	DGCD	
C[C@@H](NCCCOCC(F)(F)F)c1ccc(N(C)C)cc1	177919881	QBLHJQWDYCRGJI-GFCCVEGCSA-N	304.356	3.372	10	20	DGCD	
Cc1cc(C(=O)OCc2cncs2)c(C)n1-c1ccccn1	184618403	SBUGCLLZEXUIAC-UHFFFAOYSA-N	313.382	3.303	10	20	DGCD	
Cc1cc(Br)cc([C@@H](C)NCCCCCO)c1O	192925071	PIGIDTAOQCHKIG-LLVKDONJSA-N	316.239	3.276	10	20	DGCD	
CC[C@H]1CN(Cc2cccc(Br)c2O)C[C@@H](C)O1	245560168	MLRFBAJCIZFPNH-PWSUYJOCSA-N	314.223	3.154	10	20	DGCD	
COCc1ccc(CNCc2ccc3c(c2)CCCN3C)o1	268768039	CTYUYAWQULPINJ-UHFFFAOYSA-N	300.402	3.098	10	20	DGCD	
CCCOc1ccc(CN[C@@H]2CCO[C@@H](C(C)C)C2)c(O)c1	271455818	FKGWJOCHQOTHMD-CRAIPNDOSA-N	307.434	3.474	10	20	DGCD	
COc1ccc(O)c(CN[C@H](C)[C@@H](OC)c2ccc(F)cc2)c1	271850135	SWSOWQVVIZJRFY-KZULUSFZSA-N	319.376	3.406	10	20	DGCD	
Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C)c(O)c2O)c1	272919869	FBDYACHADFCBEQ-UHFFFAOYSA-N	314.385	3.029	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](F)CC1CCCCC1	281333945	VPRIRXSYPRIGFZ-IUODEOHRSA-N	323.408	3.454	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C(C)C)cn1	281504968	GZSQQONQOWBPCW-UHFFFAOYSA-N	314.433	3.192	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc2ccccc2c1O)C(=O)N1CCCC1	281782745	XGZKXFAEFNFUHI-KBPBESRZSA-N	312.413	3.207	10	20	DGCD	
CC[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1O	285703044	PCXPXMAXSLTTKP-WBVHZDCISA-N	307.340	3.445	10	20	DGCD	
CC(C)(NCc1cc([N+](=O)[O-])ccc1O)c1ccccc1F	291766340	SDCFZFRMIKKTAQ-UHFFFAOYSA-N	304.321	3.464	10	20	DGCD	
Cc1cc(C(=O)Nc2cccc(CO)c2)c(C)n1-c1ccccn1	305706733	WGEKIDABRQKCRT-UHFFFAOYSA-N	321.380	3.234	10	20	DGCD	
C[C@@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C[C@@H](C)S1	387271589	WTYPDSQRJVIUNN-DPIUTZRQSA-N	322.386	3.023	10	20	DGCD	
CCN(CC(=O)NCc1cccc(C)c1)c1ccc(OC)cc1	732199044	DBJIFBUCYIANFU-UHFFFAOYSA-N	312.413	3.146	10	20	DGCD	
O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1cc(O)cs1	732276480	RFCADIZGVQUWKC-LLVKDONJSA-N	309.774	3.361	10	20	DGCD	
CCCCO[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1	742468900	SFOXVCRTJYRYED-INIZCTEOSA-N	318.461	3.498	10	20	DGCD	
O=C(/C=C/c1cccnc1)N1CCN(CC2CC2)c2ccccc21	744753071	FRTNNOVDNYIZQL-MDZDMXLPSA-N	319.408	3.358	10	20	DGCD	
CSc1cc(O)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1	754746671	JWMNMEFNPYXOAA-CLTKARDFSA-N	317.366	3.177	10	20	DGCD	
C[C@H](NCCCNc1ccccn1)c1cc(F)cc(F)c1O	756642643	PEQQPAPJWLVZLU-NSHDSACASA-N	307.344	3.218	10	20	DGCD	
Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)CO2	756760397	ONSHIRXUYFIQDY-NHYWBVRUSA-N	314.341	3.393	10	20	DGCD	
CC[C@]1(C)CCN(C(=O)NCCCSc2nccs2)C1	759591082	UOHXDODYQCYHCB-CQSZACIVSA-N	313.492	3.457	10	20	DGCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cscn1	768099058	WBHJMZQVYZHAHM-KGLIPLIRSA-N	317.458	3.392	10	20	DGCD	
C[C@@H](NC(=O)CCCCN1CCCC1)c1ccc(N(C)C)cc1	773015619	QUNLFWKUBAHKLI-MRXNPFEDSA-N	317.477	3.196	10	20	DGCD	
Cc1cccc(CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)c1O	775726110	PYKVOMUCTJGCIS-XYJFISCASA-N	300.446	3.007	10	20	DGCD	
COc1ncc(/C=C/C(=O)N(C)c2cccc(C(C)C)c2)cn1	775819283	GXQDOKUSNCTMBQ-CMDGGOBGSA-N	311.385	3.285	10	20	DGCD	
CCC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccccn1	780930817	RFIXNIFNWPIDIZ-CQSZACIVSA-N	300.358	3.072	10	20	DGCD	
COc1cc(O)c(CNC(C)(C)CC(F)(F)F)cc1OC	783717199	HESJPTLECMADHU-UHFFFAOYSA-N	307.312	3.230	10	20	DGCD	
CO[C@H](C)CN[C@@H](C)c1cc(Br)cc(Cl)c1O	785571869	BWQUZEAMCFGEJS-SFYZADRCSA-N	322.630	3.494	10	20	DGCD	
C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc(Cl)cc(F)c1O	785990108	ZAUGHONHFSDMJY-BFVZDQMLSA-N	301.789	3.166	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1Cc2ccc(F)cc21	792878550	UAOFDVVSPDGKIM-GOSISDBHSA-N	312.388	3.190	10	20	DGCD	
CC[C@@H](NC1CCN(CC(F)F)CC1)c1ccc(C)cc1O	794802592	GDIMKKPOLOSILB-OAHLLOKOSA-N	312.404	3.471	10	20	DGCD	
CC[C@H](N[C@H](CO)Cc1ccccc1)c1ccc(F)cc1O	796780344	RAUHJRUXKGZQTN-RDJZCZTQSA-N	303.377	3.176	10	20	DGCD	
CC[C@H](NC[C@](C)(O)COC)c1cc(Cl)cc(Cl)c1O	806139055	HTWGBWWTICEVMG-JSGCOSHPSA-N	322.232	3.137	10	20	DGCD	
Cc1cc(Cl)cc([C@@H](C)N[C@H](C)CN2CCCC2=O)c1O	808679317	KSFNYWHHWBNIRS-VXGBXAGGSA-N	310.825	3.016	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c(O)c1	809758691	TXVYTQMQRBFDGZ-HZPDHXFCSA-N	319.445	3.430	10	20	DGCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](C2CC2)C1	812048712	WMMLHIJRMWLNDF-KRWDZBQOSA-N	315.461	3.393	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CNC(=S)NC1CCC1	814204856	NKLZCTJLNWUIRD-UHFFFAOYSA-N	305.230	3.216	10	20	DGCD	
Cc1ccc([C@@H](C)NC[C@@H](N)c2ccc(N(C)C)cc2)c(O)c1	817942255	NNLIYVRTTPJBQP-RDTXWAMCSA-N	313.445	3.117	10	20	DGCD	
C[C@H](NC[C@@H]1CCCCN1)c1ccc(N2CCCCC2)cc1	817945854	NINLLWDPKPRFBX-WMZOPIPTSA-N	301.478	3.470	10	20	DGCD	
COC(=O)c1cnc([C@H](C)N[C@H](C)c2ccc(F)cc2O)s1	818355873	KJRJERYOXDVQRX-BDAKNGLRSA-N	324.377	3.186	10	20	DGCD	
COc1ccc(N2CC[C@H](CNc3ncncc3Cl)C2)cc1	819934985	OTDRYDSSNHUWFF-GFCCVEGCSA-N	318.808	3.077	10	20	DGCD	
CCOc1ccc(CN(C)C[C@@](C)(O)c2ccccc2)c(O)c1	822515435	ASJCITGQSSKMOB-LJQANCHMSA-N	315.413	3.130	10	20	DGCD	
CC(C)OC(=O)[C@@H](NCc1cc(Cl)cc(F)c1O)C(C)C	824846650	UZLMFDXZKONGKU-ZDUSSCGKSA-N	317.788	3.251	10	20	DGCD	
COCc1cc(CN(Cc2ccccc2O)C2CCCC2)no1	838831734	ZPAVDVDBOBAMAC-UHFFFAOYSA-N	316.401	3.471	10	20	DGCD	
CN1CCCc2cc(CNCc3cnc(C4CC4)nc3)ccc21	838916847	BBBSOVPAYYUTGP-UHFFFAOYSA-N	308.429	3.026	10	20	DGCD	
CCN(C)c1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1	839637102	VFVNIJGLKBZPPH-PMACEKPBSA-N	310.441	3.451	10	20	DGCD	
COCc1nsc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1	840384188	GACZFLDUXBVETA-LBPRGKRZSA-N	320.462	3.102	10	20	DGCD	
COc1cc(N2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC	840391750	NPHKWLDDZZTIJZ-LBPRGKRZSA-N	306.362	3.238	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)NCCCNC(C)C	841932667	QVELSYVOHUNSPW-UHFFFAOYSA-N	321.465	3.092	10	20	DGCD	
CN(CC[C@@H]1CCNC1)Cc1ccc(N2CCCCC2)cc1	844221347	WVEJGPFYVSEFEA-KRWDZBQOSA-N	301.478	3.108	10	20	DGCD	
CCn1cc(CN(Cc2cc(C)cc(OC)c2O)C(C)C)cn1	844737449	DBDOLEZQFKMXMI-UHFFFAOYSA-N	317.433	3.336	10	20	DGCD	
Cc1cc(CN(C)[C@H](CO)Cc2ccccc2)ccc1N(C)C	852287853	IAMNQQFRPOFQTA-IBGZPJMESA-N	312.457	3.096	10	20	DGCD	
COc1cc(C)cc(CN2CC[C@@H](Oc3ccccc3)C2)c1O	853595404	OVWZZTCNGUWKSB-QGZVFWFLSA-N	313.397	3.363	10	20	DGCD	
CCN(CC)C(=O)[C@H](C)N(C)Cc1ccc(N(CC)CC)cc1	857757533	KQWYGOPJLUGDMZ-INIZCTEOSA-N	319.493	3.222	10	20	DGCD	
CCC(C)(C)OCCNCc1cc(F)c(N(C)C)cc1F	858175835	XVMJNFPIZXZKHJ-UHFFFAOYSA-N	300.393	3.326	10	20	DGCD	
CN(C)c1ccc(CN(C(=O)c2cnn(C3CC3)c2)C2CC2)cc1	858341224	CXJFFBIKRAHTTL-UHFFFAOYSA-N	324.428	3.089	10	20	DGCD	
Cc1cc(CN2[C@@H](C)C[C@H](C(=O)O)C[C@H]2C)ccc1N(C)C	863476394	COEWTUNMBQDZDN-MIFYACCESA-N	304.434	3.135	10	20	DGCD	
Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccccc2O)cc1F	867834844	PMAUKZFYAKQLMC-GFCCVEGCSA-N	323.389	3.020	10	20	DGCD	
CO[C@H](C)C(=O)Nc1cccc(NCc2ccc(C)cc2O)c1	876826147	IATLBIVSEDALSX-CYBMUJFWSA-N	314.385	3.286	10	20	DGCD	
C[C@@H](NC[C@@H]1C=CCC1)c1ccc(N2CCOCC2)c(F)c1	883246855	UBVAQEIQVJUHOM-HUUCEWRRSA-N	304.409	3.279	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)Cc2c(C)noc2C)c1O	894284633	MXDYQIKYSNYOLL-LLVKDONJSA-N	304.390	3.035	10	20	DGCD	
Oc1cccc(Br)c1CNc1nnc(C2CCC2)o1	905429015	RDRIVGJPEGHGKE-UHFFFAOYSA-N	324.178	3.417	10	20	DGCD	
CCN(CC)c1ccc(CN(C)C(=O)NCC2CCC2)cc1	916633280	UHOKYEREDHXLSS-UHFFFAOYSA-N	303.450	3.474	10	20	DGCD	
CCOc1ccc(N2CCN(C(=O)/C=C(/C)CC)CC2)cc1	1327983121	OEHGTKRPTAVOPH-PFONDFGASA-N	302.418	3.090	10	20	DGCD	
CC(C)[C@@H](CNC(=O)c1cc(O)cs1)Nc1ccccc1	1348614440	SWUSVDMFCXKWRO-CQSZACIVSA-N	304.415	3.320	10	20	DGCD	
C[C@H](NCC(C)(C)c1cccnc1)c1cc(C(=O)O)ccc1O	1593241266	YYSYDKQNVNNNLE-LBPRGKRZSA-N	314.385	3.114	10	20	DGCD	
COc1cc(OC)cc([C@H](Sc2nccs2)C(=O)O)c1	1610305873	GCEMEBUYAFEWRC-NSHDSACASA-N	311.384	3.078	10	20	DGCD	
Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1610574812	HZFBHKFJSAUEDR-UWVGGRQHSA-N	318.373	3.150	10	20	DGCD	
COc1ccc(N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1	55877616	YDAYYIQKYAIXII-UHFFFAOYSA-N	324.424	3.356	10	20	DGCD	
COc1ccc(O)c([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)c1	74747856	MTDSIAKGNKEBHK-SNVBAGLBSA-N	303.318	3.186	10	20	DGCD	
CN(Cc1ccccc1O)C(=O)NCc1ccc2c(c1)CCC2	79556060	DNZQLTAKTNKJME-UHFFFAOYSA-N	310.397	3.223	10	20	DGCD	
CS[C@@H](C)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	90726638	MXJJVQYMFMZDIS-QWHCGFSZSA-N	312.454	3.064	10	20	DGCD	
Cc1ccc(O)c(CN2CCC(OC[C@@H]3CCCCO3)CC2)c1	93842424	KKEBCKBJELMLPU-SFHVURJKSA-N	319.445	3.251	10	20	DGCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CC=CCC2)cc1F	102003134	YFERICZQUQQTQS-ZDUSSCGKSA-N	305.397	3.047	10	20	DGCD	
Cc1cc(C(=O)NCC2(C3CC3)CC2)c(C)n1-c1ccccn1	118973050	HAOVRICKPJLFLC-UHFFFAOYSA-N	309.413	3.409	10	20	DGCD	
Cc1cc(N(C)C)ccc1NCc1cc2c(cc1O)OCO2	120130136	MTFKOQLFHGIFFH-UHFFFAOYSA-N	300.358	3.107	10	20	DGCD	
CC[C@@H]1COCCN1Cc1c(O)ccc2ccc(OC)cc12	151898440	MPGLBOHASHYNDF-CQSZACIVSA-N	301.386	3.165	10	20	DGCD	
CC[C@H]1CCC[C@@H](NC(=O)NCc2cc(OC)ccc2O)C1	155126546	HUANMHULUQJYAR-GXTWGEPZSA-N	306.406	3.169	10	20	DGCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(C2CC2)CCC1	162886413	CVQMHCOUZHXWHF-UHFFFAOYSA-N	315.461	3.474	10	20	DGCD	
CC[C@](C)(NCc1cc2c(cc1O)OCO2)c1nc(C)cs1	174499799	XDEZOLJWHDDDLA-INIZCTEOSA-N	320.414	3.301	10	20	DGCD	
Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)s1	179485883	BICAIUDSZFLONO-SNVBAGLBSA-N	320.414	3.313	10	20	DGCD	
Cc1cc(C)n(-c2cccc(NC(=O)c3cccc(O)c3O)c2)n1	186926620	MVWUDIFHNFVNBH-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(F)c(F)c2O)cc1	191213071	GFJLRZHTXGULPW-XHDPSFHLSA-N	307.340	3.363	10	20	DGCD	
CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1	193317409	SYUILHVBOQNCQK-UHFFFAOYSA-N	305.399	3.392	10	20	DGCD	
OCc1cccc(CNCc2cc(Cl)cc(Cl)c2O)c1	222110941	FNIZEKLFGILOFS-UHFFFAOYSA-N	312.196	3.481	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H](C)CNC(=O)OC(C)(C)C)c(O)c1	227684617	UWIZBLKDBCXMJW-OLZOCXBDSA-N	308.422	3.264	10	20	DGCD	
CNC(=O)CCN(Cc1ccccc1O)[C@H](C)c1ccccc1	272093666	YLUFUWXVFINDCW-OAHLLOKOSA-N	312.413	3.092	10	20	DGCD	
CO[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1	273363678	DKNZAFLFKAKLSH-PXAZEXFGSA-N	316.357	3.339	10	20	DGCD	
COc1cc(Cl)cc(CN2CC[C@H](N3CCCCC3)C2)c1O	273706741	FHLPFJGBHYKCEP-HNNXBMFYSA-N	324.852	3.114	10	20	DGCD	
C[C@@H](NCCC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1O	274081285	WFEQQYQEKLLUJE-OCCSQVGLSA-N	308.378	3.300	10	20	DGCD	
Cc1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C2CC2)n1	281322655	SPSPBMJMZOPNHU-UHFFFAOYSA-N	324.428	3.001	10	20	DGCD	
CC[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1O	286080784	LNOVCNOFXXNVIF-GOEBONIOSA-N	315.392	3.246	10	20	DGCD	
CC[C@@H](NC[C@@H](O)c1ccccc1F)c1ccc(F)cc1O	286157926	PSUYSWDNOOZUPU-NVXWUHKLSA-N	307.340	3.445	10	20	DGCD	
CCC[C@H](C)C(=O)NCCN[C@@H](C)c1c(C)cc(C)cc1O	293794856	UPACSVFMBKLPKF-ZFWWWQNUSA-N	306.450	3.212	10	20	DGCD	
CNCCc1ccccc1C(=O)N1C[C@@H](C)Cc2ccccc21	322137468	PPESCWAYJZNRCK-HNNXBMFYSA-N	308.425	3.288	10	20	DGCD	
COc1csc(C(=O)NCc2c(C)c3ccccc3n2C)c1	348663485	UFWSVEPATSREMT-UHFFFAOYSA-N	314.410	3.487	10	20	DGCD	
C[C@H]1N(Cc2c(O)cccc2Br)CCOC1(C)C	707128016	QQYYJFAOWKWJAM-SNVBAGLBSA-N	314.223	3.154	10	20	DGCD	
CC[C@H]1CN(Cc2c(O)cccc2Br)[C@H](C)CO1	707143453	SHQUEZHEJBJJKV-MNOVXSKESA-N	314.223	3.154	10	20	DGCD	
Oc1cccc(Cl)c1CNCc1cccc2c1OCCO2	733331565	GXQHDMVGRPXVDX-UHFFFAOYSA-N	305.761	3.107	10	20	DGCD	
Cc1ncc2c(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)cc1O	756585326	JNPLAAWIJWQUGM-BONVTDFDSA-N	301.365	3.358	10	20	DGCD	
C[C@@H](NCc1csc(N(C)C)n1)c1cc(F)cc(F)c1O	756635680	GYZXBXKMCSMTEI-MRVPVSSYSA-N	313.373	3.044	10	20	DGCD	
COCc1cccc(COC(=O)/C=C/c2ccc(O)c(O)c2)c1	759580223	ORMPVWNSYKURKL-SOFGYWHQSA-N	314.337	3.001	10	20	DGCD	
FC1(F)CCC(NCc2ccc(N3CCOCC3)cc2)CC1	761335224	OEOBBDJJXABOAD-UHFFFAOYSA-N	310.388	3.191	10	20	DGCD	
CC[C@H](NC[C@@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1	766440728	YVBYIWHYBJKHKQ-ROUUACIJSA-N	321.534	3.231	10	20	DGCD	
C[C@@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(N(C)C)cc1	773017580	HHGMGAIWDMXQOU-GFCCVEGCSA-N	324.384	3.227	10	20	DGCD	
CCOc1ccc(CN(C)c2ccc3c(c2)OCO3)c(O)c1	780778557	MHCRAJVEIYSRIF-UHFFFAOYSA-N	301.342	3.156	10	20	DGCD	
CCOc1ccc(CNc2ccc3ccn(C)c(=O)c3c2)c(O)c1	790637695	LWJPDCANMBMVRJ-UHFFFAOYSA-N	324.380	3.255	10	20	DGCD	
CC[C@H](Nc1ccc(N(C)CCO)cn1)c1ccc(C)cc1O	794811792	HYDCHTFQNGOWJF-INIZCTEOSA-N	315.417	3.087	10	20	DGCD	
COc1ccc(O)c(CNC/C=C\c2ccc(F)c(F)c2)c1	796306937	GNSMEUDASCRWSX-IHWYPQMZSA-N	305.324	3.482	10	20	DGCD	
COc1cccc(CNCc2c(F)cc(F)c(F)c2F)c1O	797468631	OQOOIIANLJMTRR-UHFFFAOYSA-N	315.266	3.247	10	20	DGCD	
COCCN(Cc1cccnc1)Cc1c(O)ccc(Cl)c1F	809741284	LWNAYTCQOCWECS-UHFFFAOYSA-N	324.783	3.228	10	20	DGCD	
CC[C@H](NCC[S@@](=O)CC)c1ccc(C(F)(F)F)cc1O	810218179	PEWLDCLXCJBGIF-QKVFXAPYSA-N	323.380	3.220	10	20	DGCD	
Cc1ncn(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)c1C	812739334	CBGGDFVHBVACDN-UHFFFAOYSA-N	323.352	3.153	10	20	DGCD	
CCN(C)c1ccc(CN(C)C[C@@H](O)Cc2ccccc2)cc1	815122432	VPIZMQDPXWGDCV-FQEVSTJZSA-N	312.457	3.178	10	20	DGCD	
Cc1cccc(CNc2ccc(C(N)=O)cc2OC(C)C)c1O	817418433	QOQCRKOLLSTQRR-UHFFFAOYSA-N	314.385	3.199	10	20	DGCD	
CC[C@@H](NCCNC1CC1)c1cc(Cl)cc(Cl)c1O	817952122	CCLRGEZCEGBZIG-CYBMUJFWSA-N	303.233	3.492	10	20	DGCD	
CC[C@@H]1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1	819169166	XSNRUQAZCLSYIF-UKRRQHHQSA-N	316.401	3.125	10	20	DGCD	
COc1ccc(N2CC[C@H](CNC(=O)C(C)=C3CCC3)C2)cc1	819586621	BTGUTTQHUSUQLG-OAHLLOKOSA-N	314.429	3.138	10	20	DGCD	
CC(C)(C)c1cnc(Sc2ncccc2-c2nn[nH]n2)s1	819965646	LKELLTFDYVRQFL-UHFFFAOYSA-N	318.431	3.167	10	20	DGCD	
Cc1cc(O)c(CN2CCC[C@@H](c3nccn3C)C2)cc1Cl	825715915	JREYYBQVBDNLIJ-CYBMUJFWSA-N	319.836	3.467	10	20	DGCD	
CCCC[C@@](C)(F)C(=O)N1CCOc2cc(N(C)C)ccc21	829239695	UYUBENVQUVJZIF-QGZVFWFLSA-N	308.397	3.396	10	20	DGCD	
CCCC[C@H](CC)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832272531	GLYNJLLAEIZMKY-YJBOKZPZSA-N	319.493	3.475	10	20	DGCD	
COC(=O)c1cc(CN(C)c2ccc(OC)c(OC)c2)cs1	839472425	POVYGWLUCNOIOE-UHFFFAOYSA-N	321.398	3.188	10	20	DGCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)OCC(C)C	839918586	MWTADRYJEJJGQK-CVEARBPZSA-N	320.477	3.169	10	20	DGCD	
C[C@@H]1C[C@@H](N[C@@H]2CCCC(F)(F)[C@H]2O)c2c(O)ccc(F)c21	840886659	KQHXSBSUPMVGRN-RYVSBMNDSA-N	315.335	3.218	10	20	DGCD	
Oc1ccc(-c2ccccc2)cc1CN1CCO[C@@H](CF)C1	840955111	QTWMCNAEVSXSSK-KRWDZBQOSA-N	301.361	3.230	10	20	DGCD	
Cc1ccc2c(c1)[C@H](NC(=O)NCCc1ccc(N)cc1)CC2	841793807	UHKPFGRDDGMSMW-GOSISDBHSA-N	309.413	3.106	10	20	DGCD	
CO[C@@H](CC(C)C)CN(Cc1ccccc1O)C[C@@H]1CCCO1	842151533	CAIRSNLPGXEIHU-ROUUACIJSA-N	321.461	3.434	10	20	DGCD	
CCC[C@H]1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CCO1	843158648	FQDYTIZJRUKZKO-HIFRSBDPSA-N	301.390	3.305	10	20	DGCD	
COc1cc(CN[C@H]2CCN(C3CC3)C2)c(O)c(C(C)(C)C)c1	850118804	JFQQBOZESCSZFF-AWEZNQCLSA-N	318.461	3.025	10	20	DGCD	
CO[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C1CCCC1	850561056	HNZOKGAMBSUWAN-ZBEGNZNMSA-N	308.378	3.156	10	20	DGCD	
COc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)on1	851715725	BXYAVYDBQWXQPV-UHFFFAOYSA-N	315.417	3.306	10	20	DGCD	
CS[C@H]1CC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1	858146920	CVOFTFYPRQTLRV-NEPJUHHUSA-N	300.418	3.405	10	20	DGCD	
CC[C@H](NC(=O)NCc1cc(C)ccc1O)c1nc(C)cs1	875242316	MBQIFOCKNOQZAK-ZDUSSCGKSA-N	319.430	3.416	10	20	DGCD	
CCc1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)nc1	881210643	WOYRWGBTDKZION-LLVKDONJSA-N	315.373	3.241	10	20	DGCD	
CCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCC1	891254286	YDDFYPDQJUMFNP-QGZVFWFLSA-N	317.477	3.052	10	20	DGCD	
COc1ccc(CN2CCC[C@H]2c2cc(C)on2)c(O)c1OC	891648030	IXFBKVQSQAJQAJ-AWEZNQCLSA-N	318.373	3.043	10	20	DGCD	
COc1cc(C)cc(CN[C@H](C)[C@@H](O)c2cccc(F)c2)c1O	894325515	JGPWIGUISQQZJC-SJKOYZFVSA-N	319.376	3.060	10	20	DGCD	
COc1ccc(CNC[C@@H]2C[C@H]3C=C[C@H]2CC3)c(O)c1OC	894967402	LXAGJBOBXZFJBO-YDHLFZDLSA-N	303.402	3.101	10	20	DGCD	
CC1(C)[C@@H](NCc2ccc3c(c2)CCCO3)C[C@H]1CCC(=O)O	900041791	UHZAPAOSHYDDDO-WBVHZDCISA-N	317.429	3.381	10	20	DGCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](C)c1cnccn1	908045754	SIKCCUJFGKUTAO-CQSZACIVSA-N	313.401	3.115	10	20	DGCD	
CO[C@@H](C)c1nc(CNCc2ccc3c(c2)CCCO3)cs1	921823997	JVEDXCCXHQRKQV-LBPRGKRZSA-N	318.442	3.465	10	20	DGCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(-n2cnnc2)c1	924573665	JHBREUBFCWZQKT-HNNXBMFYSA-N	321.428	3.184	10	20	DGCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cccc2c1OCO2	924863140	VTNNAYNJTYWWCK-GFCCVEGCSA-N	316.376	3.471	10	20	DGCD	
OCC[C@@H](Cc1ccccc1)NCc1ccc(N2CCCC2)cc1	1116920650	FTUFYAJEEXXQME-FQEVSTJZSA-N	324.468	3.370	10	20	DGCD	
CC[C@H](C)CN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1320498116	QYEVYZOUEVLFRV-HNNXBMFYSA-N	307.457	3.055	10	20	DGCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC1CCCC1	1320765731	BNEDWDKHGSQRFY-HNNXBMFYSA-N	316.445	3.251	10	20	DGCD	
CN(C)c1cc(F)c(CNc2cnc3c(c2)COCC3)cc1F	1329723157	RIWBGGQSTOXLDZ-UHFFFAOYSA-N	319.355	3.111	10	20	DGCD	
Cc1ccc(O)c(CNC(=O)c2cnn(C3CCCC3)c2C)c1	1331693726	BHBFGRZCTUZHDQ-UHFFFAOYSA-N	313.401	3.251	10	20	DGCD	
COc1ccc(F)cc1N[C@@H](C)c1cc(C(=O)O)ccc1O	1599584965	ZOFKTNFUKSTWQK-VIFPVBQESA-N	305.305	3.411	10	20	DGCD	
COc1ccc(CN[C@H](C)[C@H](C)NC(=O)C2(C)CCC2)cc1C	1755247356	ATGUKPAORGCHSQ-CABCVRRESA-N	318.461	3.177	10	20	DGCD	
CC[C@@H](NC(=O)N(C)Cc1ccccc1O)c1nc(C)cs1	105306286	DLXURERNXBIIRK-CYBMUJFWSA-N	319.430	3.450	10	20	DGCD	
CC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1N	122268883	RMBLKQAFSIOOPO-RNCFNFMXSA-N	303.233	3.258	10	20	DGCD	
Oc1cc2c(cc1CN1CCC(n3ccnc3)CC1)CCCC2	160240217	AIYKSZDXZLBAKC-UHFFFAOYSA-N	311.429	3.305	10	20	DGCD	
CCOCCN(C)C(=O)c1sccc1-n1c(C)ccc1C	180176017	LOENHQSKFMCFBL-UHFFFAOYSA-N	306.431	3.264	10	20	DGCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)C1CC1	180797362	OWBAEHYBEUXPJW-ZBZNSMLMSA-N	323.392	3.249	10	20	DGCD	
CC[C@@H](CSC)NC(=O)NCc1ccc(N2CC=CC2)cc1	181000600	INUHCYFVUNOKHL-HNNXBMFYSA-N	319.474	3.004	10	20	DGCD	
CCN(CC)c1ccc(CN[C@H](CCO)c2ccco2)cc1	184520055	IYHPROGWTBXPRO-QGZVFWFLSA-N	302.418	3.339	10	20	DGCD	
COc1ccc(O)c([C@H](C)NCc2cccc(OC)c2OC)c1	185076882	DALCXVLAWCHSQB-LBPRGKRZSA-N	317.385	3.269	10	20	DGCD	
Cc1ccc([C@H](C)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1	185442663	YSYQAWHYVZFTNH-KBPBESRZSA-N	320.433	3.361	10	20	DGCD	
COc1cccc(CNC[C@@H]2CCO[C@H]2c2ccccc2)c1O	192377780	LISYHYMOYAJWBD-LPHOPBHVSA-N	313.397	3.268	10	20	DGCD	
CCOC(=O)N1CCC(N[C@H](C)c2ccc(C)c(C)c2O)CC1	273406991	OQDCZWJWUZRCOP-CQSZACIVSA-N	320.433	3.281	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCC(=O)[C@@H]1C	279908344	MWVZLCAHTVGKEH-KGLIPLIRSA-N	303.402	3.136	10	20	DGCD	
COc1cc(Cl)cc(CNCCCc2cccc(C)n2)c1O	289348076	IRWJIWKLHHQCDU-UHFFFAOYSA-N	320.820	3.480	10	20	DGCD	
CN1CCCc2cc(CNCc3cc(F)ncc3F)ccc21	296404391	LSFHNEAPLXAPQW-UHFFFAOYSA-N	303.356	3.032	10	20	DGCD	
Cc1ccn(-c2ccc(N[C@@H](C)c3ccc(N(C)C)cc3)nn2)n1	302393110	JUBSVTGVDLLBSV-AWEZNQCLSA-N	322.416	3.210	10	20	DGCD	
CCNC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1	302436798	QPUZBIUBRMTXRA-CYBMUJFWSA-N	312.417	3.070	10	20	DGCD	
COCC(=O)Nc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1	320053274	LQORXSACXGSSKD-ZDUSSCGKSA-N	314.385	3.459	10	20	DGCD	
O=C(O)/C=C\c1ccc(N2CCC3(CCCC3)C2)c([N+](=O)[O-])c1	323793366	JEWJBJDCSNVXOW-XQRVVYSFSA-N	316.357	3.463	10	20	DGCD	
Oc1cccc(Br)c1CN[C@H]1CCC(F)(F)C1	706807676	CLHAAVFOBZZBHC-QMMMGPOBSA-N	306.150	3.432	10	20	DGCD	
CC(C)(C)C[C@@H](O)CNCc1c(O)cccc1Br	706830343	REUSJVIUNQHWIU-SNVBAGLBSA-N	316.239	3.041	10	20	DGCD	
COc1cc(CNCc2cc(Cl)ccc2O)cc(OC)c1	725846130	XHOSWPODMWRASX-UHFFFAOYSA-N	307.777	3.353	10	20	DGCD	
Cc1cccnc1CNC(=S)Nc1ccc(OC(F)F)cc1	729645428	NMBZFNKPRPATDZ-UHFFFAOYSA-N	323.368	3.478	10	20	DGCD	
O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cncs1	751299458	LXOPJFVTYMKNRM-UHFFFAOYSA-N	321.365	3.105	10	20	DGCD	
COC[C@@H](C)CN[C@@H](C)c1cc(Br)c(F)cc1O	756464873	IATSZCWWORVZES-IUCAKERBSA-N	320.202	3.227	10	20	DGCD	
COC[C@@H](Cc1ccccc1)N[C@H](C)c1cc(F)ccc1O	756638641	VKEOMNGQKBFDFL-CZUORRHYSA-N	303.377	3.440	10	20	DGCD	
CC(C)CSCCCOC(=O)/C=C\c1ccc(O)c(O)c1	759579770	OKMREMVURNHNAN-ALCCZGGFSA-N	310.415	3.434	10	20	DGCD	
C[C@@H](NC1CCOCC1)c1ccc(N2CCOCC2)cc1Cl	765146868	RBAUAIUUPWRHED-CYBMUJFWSA-N	324.852	3.006	10	20	DGCD	
Cc1ccc(O)c(CN(C)CC(=O)Nc2ccccc2Cl)c1	768170104	KPCPKZRIUIKWHW-UHFFFAOYSA-N	318.804	3.425	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cccc2[nH]ncc12	769289116	DIFUPSBBUPFLIQ-UHFFFAOYSA-N	309.369	3.321	10	20	DGCD	
Cc1cncc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1	773421699	BTAVCXBTNCWBAH-CQSZACIVSA-N	312.417	3.016	10	20	DGCD	
COCCOC[C@@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1O	774254824	RDVSQGHNURNERI-NXEZZACHSA-N	322.232	3.401	10	20	DGCD	
CCOC(=O)N1CCC[C@H]([C@H](C)N[C@@H](C)c2ccccc2O)C1	776864625	MIGNGHHZHWNFTG-KKUMJFAQSA-N	320.433	3.300	10	20	DGCD	
CCOc1ccc(CN2CCC[C@H](OCC3CC3)C2)c(O)c1	779187879	AOULLGVRSVNNAI-KRWDZBQOSA-N	305.418	3.182	10	20	DGCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1c(F)cccc1F	779501069	UCHQJCZTYVBKPD-ZEBCKKTISA-N	319.307	3.267	10	20	DGCD	
OC[C@@H](CC1CCC1)NCc1ccc(N2CCCCC2)cc1	793322558	NZDMZMQSUHDFTK-GOSISDBHSA-N	302.462	3.318	10	20	DGCD	
CSCCONC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	794180503	KMOGBNLEDAESBH-UHFFFAOYSA-N	322.405	3.258	10	20	DGCD	
COc1ccc(N(Cc2ccc(OC)nn2)CC(C)C)cc1	801520907	BPECPUCSWGQLAD-UHFFFAOYSA-N	301.390	3.156	10	20	DGCD	
CO[C@H](COC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1	801848955	DZYNCZYPYZCPER-SECOEOQKSA-N	314.337	3.042	10	20	DGCD	
CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N(C)C)cc1	804331708	RFQQCTUPYBXUFJ-UHFFFAOYSA-N	313.357	3.476	10	20	DGCD	
COc1ccc(CNC(=O)Nc2ccnc(Cl)c2C)c(O)c1	810282932	AGDDBZFPLZQGAD-UHFFFAOYSA-N	321.764	3.079	10	20	DGCD	
CCN(CC)c1ccc(CN2CC3(CCNCC3)C[C@H]2C)cc1	818431416	LPTINVMIAXSUEB-QGZVFWFLSA-N	315.505	3.497	10	20	DGCD	
CCC[C@H](C)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819583585	XQYVTVAGKDUWNA-JKSUJKDBSA-N	318.461	3.464	10	20	DGCD	
CCC[C@H](CNCc1cc(Br)cc(C)c1O)OC	824543835	QJKMTFIBDZJERU-CYBMUJFWSA-N	316.239	3.368	10	20	DGCD	
CC1(C)CCCN1CCNCc1cc(Cl)c(F)cc1O	825331451	GKWUONFEVXUEFA-UHFFFAOYSA-N	300.805	3.149	10	20	DGCD	
CCOc1ccc(O)c(CN2CCOC(C3CC3)(C3CC3)C2)c1	827539270	ZZOGMANXJBRXSA-UHFFFAOYSA-N	317.429	3.182	10	20	DGCD	
COC1(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCC1	839920660	CODBTLBDWWOZRF-OAHLLOKOSA-N	318.461	3.067	10	20	DGCD	
C[C@H]1C[C@H](N[C@@H]2CCCC(F)(F)[C@H]2O)c2c(O)ccc(F)c21	840886658	KQHXSBSUPMVGRN-IGRCHAIXSA-N	315.335	3.218	10	20	DGCD	
C[C@H](NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCNC1	841032931	HSYAALKZYOENQK-VHSXEESVSA-N	303.233	3.177	10	20	DGCD	
COc1cc(O)c(CNC2(c3ccccc3C)CC2)cc1OC	843419271	RWYDKPMKEIPDEW-UHFFFAOYSA-N	313.397	3.497	10	20	DGCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1nnc(C(F)(F)F)s1	845513475	KUDONWRIKSYVDZ-ZCFIWIBFSA-N	319.308	3.011	10	20	DGCD	
CC(=O)c1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)on1	846776629	UMUGIAFWGZBZNC-UHFFFAOYSA-N	313.401	3.108	10	20	DGCD	
COC(=O)Cc1ccccc1CN[C@@H](C)c1ccc(F)cc1O	848573569	VOWFEXQGDFGNHK-LBPRGKRZSA-N	317.360	3.098	10	20	DGCD	
CCc1cccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)c1O	848913191	QTWTURDMRXOKES-QUCCMNQESA-N	311.425	3.210	10	20	DGCD	
CN(C)c1ccc(CN2CC[C@H](C(=O)O)[C@H]3CCCC[C@@H]32)cc1	849345352	IHLXAIVZGHICMP-SQNIBIBYSA-N	316.445	3.218	10	20	DGCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CCC[C@H]([S@](C)=O)C2)c(O)c1	850501067	JPOJFMUOBOFHGD-FQEHYLHMSA-N	309.475	3.349	10	20	DGCD	
CCc1nc(C)c(CNCc2cc(F)c(N(C)C)cc2F)o1	858168976	SVABTNPHAGUTKM-UHFFFAOYSA-N	309.360	3.179	10	20	DGCD	
Cc1cccc(O)c1C(=O)NCCCSc1nccs1	859350316	AAICKNHDRUUNHR-UHFFFAOYSA-N	308.428	3.069	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)c1cncc(OC)c1C	866598389	BCAAEDXESJZCRT-UHFFFAOYSA-N	314.385	3.157	10	20	DGCD	
CSc1cc(CNC(=O)N[C@H](C)c2ccccc2O)ccn1	868474528	KBPNQTIVWCJDQU-LLVKDONJSA-N	317.414	3.070	10	20	DGCD	
Cc1ccc(CNCc2ccc(-n3nc(C)cc3C)nc2)c(O)c1	876942626	ZKNNMRSICGNXMR-UHFFFAOYSA-N	322.412	3.188	10	20	DGCD	
Cc1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2O)c(C)c1	879648790	DUUWXICOPVIGRU-HZPDHXFCSA-N	315.413	3.100	10	20	DGCD	
COc1ccc(N2CCC(Nc3nccnc3Cl)CC2)cc1	892268630	DWWXJAREJIWHKS-UHFFFAOYSA-N	318.808	3.220	10	20	DGCD	
COc1cc(C)cc(CNCc2cccc([N+](=O)[O-])c2C)c1O	894543510	SGAUBPONUCIGAP-UHFFFAOYSA-N	316.357	3.216	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)cc1	899773095	LIVNOHQLKHADSV-ZYSHUDEJSA-N	324.424	3.080	10	20	DGCD	
Clc1ccnc(NCc2ccc(N3CCOCC3)cc2)c1	905414149	AZXWELGUSHQMJR-UHFFFAOYSA-N	303.793	3.184	10	20	DGCD	
C[C@H]1Cc2cc(NC(=O)N(C)Cc3ccccc3O)ccc2O1	933157865	QNZTVSNUFSKEJR-LBPRGKRZSA-N	312.369	3.380	10	20	DGCD	
COc1ccc(CNC[C@H]2CCCN2C(=O)C=C(C)C)cc1C	1034848862	YTSMJZRKTNOUDH-QGZVFWFLSA-N	316.445	3.050	10	20	DGCD	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC2CC(=O)C2)c1	1333284355	IQNVCXWCLRTLTC-UHFFFAOYSA-N	316.788	3.209	10	20	DGCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1Cc2ccc(F)cc21	1346941676	WMHWTCBHOOLRRK-JTQLQIEISA-N	317.707	3.294	10	20	DGCD	
Oc1c(Cl)cccc1CN(Cc1cnn[nH]1)C1CCCCC1	1578051982	YLGKTILITFXRMR-UHFFFAOYSA-N	320.824	3.499	10	20	DGCD	
CCc1ccc(C(=O)CSc2ncc(C(=O)O)s2)cc1	1597498924	SMNNCXJNEHQHAW-UHFFFAOYSA-N	307.396	3.379	10	20	DGCD	
O=C(O)c1cnc(SCc2ccc([N+](=O)[O-])c(F)c2)s1	1602536699	FGDPKYDSUOYXOQ-UHFFFAOYSA-N	314.319	3.181	10	20	DGCD	
C[C@H](N[C@H](C)Cc1ccsc1)c1cc(C(=O)O)ccc1O	1609750100	MCYZRWMVPGJAFK-MNOVXSKESA-N	305.399	3.434	10	20	DGCD	
CC1(C)CCC[C@@](NCc2ccc3c(c2)CCO3)(C(=O)O)C1	1776553106	WCSYJAFORHIPRJ-SFHVURJKSA-N	303.402	3.135	10	20	DGCD	
CCN(C)c1ccc(CN2CC3(CCC3)C[C@H]2CC(=O)O)cc1	1776855496	BTMUNAIAORTOQS-QGZVFWFLSA-N	316.445	3.362	10	20	DGCD	
CCCN(Cc1ccccc1O)C(=O)NCc1scnc1C	66703764	BVMWPWYXOYQJIZ-UHFFFAOYSA-N	319.430	3.279	10	20	DGCD	
CCOCCN(CC)Cc1cc(Br)ccc1O	76118507	SJKLCFBASYRSEO-UHFFFAOYSA-N	302.212	3.013	10	20	DGCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)CCC(C)(C)C)c1	77600112	ICJFFYQTDFXADO-LBPRGKRZSA-N	308.422	3.415	10	20	DGCD	
CCC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCC1	156780237	AKTRPYKMQPZLSQ-UHFFFAOYSA-N	316.445	3.110	10	20	DGCD	
CCOc1ccc(N(C)C[C@@H](O)COCc2cccs2)cc1	157305615	NUZGYWNCNAELSM-OAHLLOKOSA-N	321.442	3.161	10	20	DGCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC[C@@H]2C)c1	172072413	PNSWSNWLGFNOTN-STQMWFEESA-N	306.406	3.026	10	20	DGCD	
CC1CCN(C[C@@H]2CCCN(Cc3ccccc3O)C2)CC1	179564206	TZFCJAODVGYNAK-KRWDZBQOSA-N	302.462	3.336	10	20	DGCD	
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(O)c1O)CCC2	188472693	OVIUYTNLNMECJG-LBPRGKRZSA-N	318.398	3.012	10	20	DGCD	
Cc1nc(Cl)ccc1NC(=O)NCc1ccc(N(C)C)cc1	194688055	KWOYVCMKXTZHQG-UHFFFAOYSA-N	318.808	3.431	10	20	DGCD	
COCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	247861998	WGLAYHPPXVQERS-HNNXBMFYSA-N	318.442	3.468	10	20	DGCD	
C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C	265255776	SVZPYOJLKMQDIT-HNNXBMFYSA-N	318.461	3.164	10	20	DGCD	
CSc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2C)cc1	270146474	BTRCKKDDQDFANV-BJMVGYQFSA-N	301.415	3.127	10	20	DGCD	
O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCCCC1	277082399	APQSGVLOAJVQBD-UHFFFAOYSA-N	322.792	3.143	10	20	DGCD	
C[C@H](NC[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(F)cc1O	289673082	HIHNDBQICZQGGE-SOVGHPHASA-N	315.388	3.348	10	20	DGCD	
CCOc1cccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O	290952971	QULHPIITXSCJEE-FUHWJXTLSA-N	317.429	3.324	10	20	DGCD	
CCn1cc([C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2O)cn1	294871929	PFKZTPLDORVAFV-SECBINFHSA-N	324.768	3.021	10	20	DGCD	
Oc1cc2c(cc1CN[C@@H]1C[C@H]3C[C@H]1[C@H]1CCC[C@@H]13)OCO2	315025927	WEPRUDIQYCYLLD-JSFFLRCESA-N	301.386	3.035	10	20	DGCD	
Nc1ccc(CC(=O)N2CCC(c3cccc(F)c3)CC2)cc1	370766324	LGDURACQPQMVHC-UHFFFAOYSA-N	312.388	3.357	10	20	DGCD	
C[C@H](NCc1cnc2n1CCCC2)c1cc(Cl)ccc1O	375273257	YUNKWZLMLPCCGJ-NSHDSACASA-N	305.809	3.429	10	20	DGCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2ccc(Cl)cc21	588405232	VAZYNTAHYSCHGQ-KXFIGUGUSA-N	315.756	3.354	10	20	DGCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCCC12OCCO2	715621052	FHDHULDYNGFUHD-GFCCVEGCSA-N	318.200	3.084	10	20	DGCD	
Oc1cc2c(cc1CN1CCCc3ccc(F)cc31)OCO2	726589162	QYUPSUXNDIGVOA-UHFFFAOYSA-N	301.317	3.213	10	20	DGCD	
CCN(Cc1cc(Br)ccc1O)C[C@H]1CCOC1	743873705	RXNRAOAJFURLAY-LLVKDONJSA-N	314.223	3.013	10	20	DGCD	
CCN(C[C@@H](O)COc1ccccc1C)c1ccc(OC)cc1	746107829	RSUGHGMYPJYIMD-QGZVFWFLSA-N	315.413	3.270	10	20	DGCD	
CCC(CC)[C@H](CCNCc1cc2c(cc1O)OCO2)OC	746760880	JHNDYDKEEPDVNP-HNNXBMFYSA-N	309.406	3.052	10	20	DGCD	
COc1cc(C)cc(CN2CCC[C@H]2c2cn(C)nc2C)c1O	754739755	OBYUSXPSDKLDCI-INIZCTEOSA-N	315.417	3.088	10	20	DGCD	
C[C@@H](NC[C@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1O	756378876	JFSOPXCLUUXPPL-ZWNOBZJWSA-N	305.324	3.325	10	20	DGCD	
Cc1cc(NCc2cccc(Br)c2O)nc(C)n1	764934047	IEJIAEOPOHJSGR-UHFFFAOYSA-N	308.179	3.174	10	20	DGCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(O)c(F)c1	768291682	FABSIXJRJVTUBR-UHFFFAOYSA-N	315.344	3.046	10	20	DGCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1c1ccccc1	768465608	IVPKJZBORJKJBV-LWLIDHTLSA-N	311.381	3.011	10	20	DGCD	
C[C@H](N[C@@H](C)c1ccc[nH]1)c1ccc(N2CCOCC2)c(F)c1	773115857	AITPMOKSFVZDHK-KBPBESRZSA-N	317.408	3.402	10	20	DGCD	
C[C@@H](NCCc1cncn1C)c1cc(Cl)c(Cl)cc1O	774365093	XJUSSXXTRBLWEJ-SECBINFHSA-N	314.216	3.326	10	20	DGCD	
COc1cccnc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775754915	TVZYOTDKNDWZSH-LBPRGKRZSA-N	314.389	3.039	10	20	DGCD	
O=[N+]([O-])c1ccccc1CCNCc1c(O)cccc1Cl	776220001	UFRNABFOQCRRFU-UHFFFAOYSA-N	306.749	3.286	10	20	DGCD	
COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@H](C)C3)CC2)cc1	776318202	ZQIHELBTGGULPK-LSDHHAIUSA-N	316.445	3.216	10	20	DGCD	
CC[C@@]1(CO)CCCN(Cc2cc(Cl)cc(F)c2O)C1	779210995	XVQLHJQYMUQLNY-OAHLLOKOSA-N	301.789	3.169	10	20	DGCD	
Cc1cc(N(C)C)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1	779480570	XPROEFAJMWPUNO-WEVVVXLNSA-N	312.369	3.124	10	20	DGCD	
C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCOC1	781325069	QKZNAPMNMGSURY-IBGZPJMESA-N	316.445	3.110	10	20	DGCD	
COc1ccc(CNC(=O)[C@@H]2CCCc3ccccc32)c(O)c1	794376579	GISILZWARKZHSH-QGZVFWFLSA-N	311.381	3.137	10	20	DGCD	
C[C@H](N[C@@H](CO)CC1CCC1)c1cc2c(cc1O)CCCC2	794832880	IDGOOOXNFXXDBU-SUMWQHHRSA-N	303.446	3.473	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CNCC[C@@H](O)c1ccccc1	809747076	IDFVDHKZXFFUFM-OAHLLOKOSA-N	309.768	3.398	10	20	DGCD	
CCOC(=O)C1(CNCc2cc(Cl)c(F)cc2O)CCC1	816568059	VGFCUTBAMNVWIP-UHFFFAOYSA-N	315.772	3.008	10	20	DGCD	
C[C@@H](NCCCNC1CC1)c1ccc(N2CCCCC2)cc1	817983648	HIAGZEWEUSQQFH-MRXNPFEDSA-N	301.478	3.470	10	20	DGCD	
OC[C@H](C1CC1)[C@H](NCc1cc(Cl)cc(F)c1O)C1CC1	824845142	IFLVDCFZXAGYFA-UKRRQHHQSA-N	313.800	3.071	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](C(C)C)[C@@H](CO)C(C)C)c1	824846603	UMFCZHGETNGZJU-WMZOPIPTSA-N	309.450	3.170	10	20	DGCD	
Cc1cc(O)c(CNCc2c(C3CC3)cnn2C)cc1Cl	827251913	QXXVDQAWOGRTHO-UHFFFAOYSA-N	305.809	3.255	10	20	DGCD	
CC[C@H](N[C@@H](C)c1cc(Br)cc(F)c1O)[C@H](C)O	834886964	GGYHVUGRKGVWSV-UBJUHAIHSA-N	320.202	3.104	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCCCO1	837368240	FUHADNZKDQRPFH-GOSISDBHSA-N	304.434	3.060	10	20	DGCD	
CCc1cccc2c1N(C(=O)/C=C(\C)c1cnccn1)CCC2	839277332	DQHOJGYGQBTXSG-WYMLVPIESA-N	307.397	3.422	10	20	DGCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](C3CCC3)C2)cc1	840244533	OVBWZQRRSIXADG-MRXNPFEDSA-N	301.434	3.084	10	20	DGCD	
NCC[C@H](NCc1ccc(N2CCCCC2)cc1)C(F)(F)F	841090981	SWHHYINGMWGRLU-HNNXBMFYSA-N	315.383	3.046	10	20	DGCD	
CC(C)[C@H](NC(=O)Nc1ccc(N)cc1)[C@H](O)c1ccccc1	841297552	SWHUWXCHXDGACP-DLBZAZTESA-N	313.401	3.149	10	20	DGCD	
CCOc1ccc(O)c(CN[C@@H](CC)C(=O)OC(C)(C)C)c1	842772014	SLAQRJLQKQELJF-AWEZNQCLSA-N	309.406	3.001	10	20	DGCD	
C[C@@H](N[C@H](CCO)c1ccccc1F)c1ccc(F)cc1O	842924426	QCCJKNVXJQUANG-BDJLRTHQSA-N	307.340	3.445	10	20	DGCD	
C[C@@H]1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CO1	842929686	RATPUXZZPKSVER-MCIONIFRSA-N	324.852	3.005	10	20	DGCD	
C[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1cc(F)ccc1O	848558302	LGICOAGQZZSTMI-BDJLRTHQSA-N	314.360	3.135	10	20	DGCD	
C[C@H](CNCc1c(O)ccc(Cl)c1F)C(=O)OC(C)(C)C	848566277	UCMIFUKBCAYPAZ-SECBINFHSA-N	317.788	3.252	10	20	DGCD	
Oc1c(F)cc(Cl)cc1CN[C@H]1CCCN2CCCC[C@H]12	848927828	OIOMPURRZWRXIO-LSDHHAIUSA-N	312.816	3.291	10	20	DGCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CC(C)C1	856961614	MMKHDRLBJHFLFD-UHFFFAOYSA-N	303.450	3.330	10	20	DGCD	
COc1ccc(N(C)CCN(C)Cc2cccc3[nH]ncc23)cc1	862400474	AFEPHKKZAUOOGM-UHFFFAOYSA-N	324.428	3.140	10	20	DGCD	
CCC(O)(CC)CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	875507096	AKIGRMPYVXCYFD-AWEZNQCLSA-N	321.465	3.006	10	20	DGCD	
COc1ccc(CN(C)Cc2cccc(C)c2)c(O)c1OC	891600853	CLDOVFOERFOHPF-UHFFFAOYSA-N	301.386	3.350	10	20	DGCD	
COc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)c(O)c1OC	894735449	JMRXNFYJRLVVDH-GOEBONIOSA-N	303.402	3.030	10	20	DGCD	
CCOCc1cc(CNCCc2cccnc2C)ccc1OC	898257131	OCJNRZMFXSWQTL-UHFFFAOYSA-N	314.429	3.267	10	20	DGCD	
Cc1cc(CN[C@@H](C)c2cn(C)nn2)c(C)n1-c1ccccc1	903068982	AOPMILBQPOIEMA-AWEZNQCLSA-N	309.417	3.073	10	20	DGCD	
C[C@H](NC[C@](C)(O)c1cccc(F)c1)c1cc(F)ccc1O	903312278	YKLMHLYYWIXEKK-GTNSWQLSSA-N	307.340	3.229	10	20	DGCD	
CCOc1ccc(CN[C@H](C(=O)O)c2cccc(C)c2)c(O)c1	904263236	VCTBNVMWKHJKPD-KRWDZBQOSA-N	315.369	3.015	10	20	DGCD	
CN(Cc1cn(C2CC2)nn1)c1ccc(-c2nccs2)cc1	906308432	UPXSNEKNAQERNP-UHFFFAOYSA-N	311.414	3.373	10	20	DGCD	
Cc1cccc(OCC(=O)Nc2c(Cl)ccc3nonc23)c1	1116850403	MLFCPLMLAUBARS-UHFFFAOYSA-N	317.732	3.202	10	20	DGCD	
CCCCOCCN1CCN(c2ccc(OCC)cc2)CC1	1324605049	PCXFBTKMWIGHPL-UHFFFAOYSA-N	306.450	3.024	10	20	DGCD	
COc1cccc(CNCc2nc3c(s2)C[C@H](C)CC3)c1O	1327419044	CWQHMIJKGCXSKG-LLVKDONJSA-N	318.442	3.272	10	20	DGCD	
C[C@H]1CCCC[C@H]1OCC(=O)Nc1c(Cl)ccc2nonc12	1329517140	AJGMMOFCSPYVAX-JOYOIKCWSA-N	323.780	3.410	10	20	DGCD	
COc1ccc(CN[C@@H](C)c2nc(C)cs2)c(O)c1OC	1334167680	GSXJFAGIBQFAQM-JTQLQIEISA-N	308.403	3.025	10	20	DGCD	
C[C@@H]1CCN(c2nnc(-c3sccc3O)n2C)CC1(C)C	1338750650	MZRDBRYFVIIZLK-SNVBAGLBSA-N	306.435	3.122	10	20	DGCD	
CCc1ccc(C(=O)NCc2ccc(OC)cc2O)cc1CC	1339688350	JEISPBZYKWXJRJ-UHFFFAOYSA-N	313.397	3.456	10	20	DGCD	
CC[C@H](C)n1nccc1C(=O)NCCCSc1nccs1	1346433077	RPWDXNHEDPMWQE-NSHDSACASA-N	324.475	3.223	10	20	DGCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	1348046700	INXWXHFXKINLDF-VHDGCEQUSA-N	303.402	3.321	10	20	DGCD	
CC(C)C[C@H](CNCc1ccc2ccccc2c1O)C(=O)O	1603776149	XABVCKYAYYYRRX-OAHLLOKOSA-N	301.386	3.382	10	20	DGCD	
O=C(O)Cc1ccc(CNCc2cc(Cl)cc(F)c2O)cc1	1608776520	PFVKNPOWNCGKTN-UHFFFAOYSA-N	323.751	3.102	10	20	DGCD